data_16329 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 16329 _Entry.Title ; 1H, 15N and 13C chemical shift assignments for the oxidised form of the DsbA oxidoreductase from Staphylococcus aureus ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2009-06-03 _Entry.Accession_date 2009-06-03 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.13 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Martin Williams . L. . 16329 2 David Chalmers . K. . 16329 3 Jennifer Martin . L. . 16329 4 Martin Scanlon . J. . 16329 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Monash Institute of Pharmaceutical Sciences' . 16329 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 16329 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 672 16329 '15N chemical shifts' 168 16329 '1H chemical shifts' 996 16329 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2010-05-20 2009-06-03 update BMRB 'complete entry citation' 16329 1 . . 2009-12-11 2009-06-03 original author 'original release' 16329 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 16330 'SaDsbA Oxidoreductase, Reduced Form' 16329 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 16329 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 19936968 _Citation.Full_citation . _Citation.Title 'Backbone and side chain 1H, 15N and 13C assignments for the oxidised and reduced forms of the oxidoreductase protein DsbA from Staphylococcus aureus.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full 'Biomolecular NMR assignments' _Citation.Journal_volume 4 _Citation.Journal_issue 1 _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 25 _Citation.Page_last 28 _Citation.Year 2010 _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 Martin Williams . L. . 16329 1 2 David Chalmers . K. . 16329 1 3 Jennifer Martin . L. . 16329 1 4 Martin Scanlon . J. . 16329 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'Bacterial oxidoreductase' 16329 1 'Disulfide formation' 16329 1 DsbA 16329 1 'Gram positive' 16329 1 'Staphylococcus aureus' 16329 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 16329 _Assembly.ID 1 _Assembly.Name 'DsbA monomer' _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 . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'DsbA monomer' 1 $SaDsbA_oxidoreductase A . yes native no no . . . 16329 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes PDB 3BCI . . X-ray 2.1 . . 16329 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'Catalysis of post-translational disulfide bond formation' 16329 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_SaDsbA_oxidoreductase _Entity.Sf_category entity _Entity.Sf_framecode SaDsbA_oxidoreductase _Entity.Entry_ID 16329 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name SaDsbA_oxidoreductase _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 ; MASATTSSKNGKPLVVVYGD YKCPYCKELDEKVMPKLRKN YIDNHKVEYQFVNLAFLGKD SIVGSRASHAVLMYAPKSFL DFQKQLFAAQQDENKEWLTK ELLDKHIKQLHLDKETENKI IKDYKTKDSKSWKAAEKDKK IAKDNHIKTTPTAFINGEKV EDPYDYESYEKLLKDKIKLE HHHHHH ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 186 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number 'EC 1.8.4.2' _Entity.Calc_isoelectric_point . _Entity.Formula_weight 21633 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 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 BMRB 16330 . SaDsbA_Oxidoreductase . . . . . 100.00 186 100.00 100.00 1.09e-131 . . . . 16329 1 2 no PDB 3BCI . "Crystal Structure Of Staphylococcus Aureus Dsba" . . . . . 100.00 186 100.00 100.00 1.09e-131 . . . . 16329 1 3 no PDB 3BCK . "Crystal Structure Of Staphylococcus Aureus Dsba T153v" . . . . . 100.00 186 99.46 99.46 6.31e-131 . . . . 16329 1 4 no PDB 3BD2 . "Crystal Structure Of Staphylococcus Aureus Dsba E96q" . . . . . 100.00 186 99.46 100.00 2.63e-131 . . . . 16329 1 5 no DBJ BAB43499 . "conserved hypothetical protein [Staphylococcus aureus subsp. aureus N315]" . . . . . 94.62 199 99.43 100.00 5.74e-123 . . . . 16329 1 6 no DBJ BAB58571 . "putative protein-disulfide isomerase [Staphylococcus aureus subsp. aureus Mu50]" . . . . . 94.62 199 99.43 100.00 5.74e-123 . . . . 16329 1 7 no DBJ BAB96196 . "conserved hypothetical protein [Staphylococcus aureus subsp. aureus MW2]" . . . . . 94.62 199 99.43 100.00 5.74e-123 . . . . 16329 1 8 no DBJ BAF68580 . "protein-disulfide isomerase [Staphylococcus aureus subsp. aureus str. Newman]" . . . . . 94.62 199 100.00 100.00 3.25e-123 . . . . 16329 1 9 no DBJ BAF79276 . "conserved hypothetical protein [Staphylococcus aureus subsp. aureus Mu3]" . . . . . 94.62 199 99.43 100.00 5.74e-123 . . . . 16329 1 10 no EMBL CAG41479 . "putative lipoprotein [Staphylococcus aureus subsp. aureus MRSA252]" . . . . . 94.62 199 98.86 99.43 2.51e-122 . . . . 16329 1 11 no EMBL CAG44113 . "putative lipoprotein [Staphylococcus aureus subsp. aureus MSSA476]" . . . . . 94.62 199 99.43 100.00 5.74e-123 . . . . 16329 1 12 no EMBL CAI81978 . "probable lipoprotein [Staphylococcus aureus RF122]" . . . . . 94.62 199 99.43 100.00 5.74e-123 . . . . 16329 1 13 no EMBL CAQ50840 . "lipoprotein, putative [Staphylococcus aureus subsp. aureus ST398]" . . . . . 94.62 199 98.30 99.43 2.66e-121 . . . . 16329 1 14 no EMBL CBI50404 . "putative lipoprotein [Staphylococcus aureus subsp. aureus TW20]" . . . . . 94.62 199 100.00 100.00 3.25e-123 . . . . 16329 1 15 no GB AAG41993 . "disulfide bond protein A [Staphylococcus aureus]" . . . . . 94.62 199 100.00 100.00 3.25e-123 . . . . 16329 1 16 no GB AAW37232 . "lipoprotein, putative [Staphylococcus aureus subsp. aureus COL]" . . . . . 94.62 199 100.00 100.00 3.25e-123 . . . . 16329 1 17 no GB ABD21498 . "putative lipoprotein [Staphylococcus aureus subsp. aureus USA300_FPR3757]" . . . . . 94.62 199 100.00 100.00 3.25e-123 . . . . 16329 1 18 no GB ABD31702 . "conserved hypothetical protein [Staphylococcus aureus subsp. aureus NCTC 8325]" . . . . . 94.62 199 100.00 100.00 3.25e-123 . . . . 16329 1 19 no GB ABQ50211 . "Protein-disulfide isomerase-like protein [Staphylococcus aureus subsp. aureus JH9]" . . . . . 94.62 199 99.43 100.00 5.74e-123 . . . . 16329 1 20 no REF WP_000162799 . "hypothetical protein [Staphylococcus aureus]" . . . . . 94.62 199 98.86 99.43 3.19e-122 . . . . 16329 1 21 no REF WP_000162803 . "protein disulfide-isomerase [Staphylococcus aureus]" . . . . . 94.62 199 98.86 100.00 1.66e-122 . . . . 16329 1 22 no REF WP_000162804 . "protein disulfide-isomerase [Staphylococcus aureus]" . . . . . 94.62 199 98.86 99.43 2.51e-122 . . . . 16329 1 23 no REF WP_000162805 . "protein disulfide-isomerase [Staphylococcus aureus]" . . . . . 94.62 199 98.86 100.00 3.84e-122 . . . . 16329 1 24 no REF WP_000162807 . "protein disulfide-isomerase [Staphylococcus aureus]" . . . . . 94.62 199 98.30 99.43 2.66e-121 . . . . 16329 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'Thiol:disulfide oxidoreductase' 16329 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 4 MET . 16329 1 2 5 ALA . 16329 1 3 6 SER . 16329 1 4 7 ALA . 16329 1 5 8 THR . 16329 1 6 9 THR . 16329 1 7 10 SER . 16329 1 8 11 SER . 16329 1 9 12 LYS . 16329 1 10 13 ASN . 16329 1 11 14 GLY . 16329 1 12 15 LYS . 16329 1 13 16 PRO . 16329 1 14 17 LEU . 16329 1 15 18 VAL . 16329 1 16 19 VAL . 16329 1 17 20 VAL . 16329 1 18 21 TYR . 16329 1 19 22 GLY . 16329 1 20 23 ASP . 16329 1 21 24 TYR . 16329 1 22 25 LYS . 16329 1 23 26 CYS . 16329 1 24 27 PRO . 16329 1 25 28 TYR . 16329 1 26 29 CYS . 16329 1 27 30 LYS . 16329 1 28 31 GLU . 16329 1 29 32 LEU . 16329 1 30 33 ASP . 16329 1 31 34 GLU . 16329 1 32 35 LYS . 16329 1 33 36 VAL . 16329 1 34 37 MET . 16329 1 35 38 PRO . 16329 1 36 39 LYS . 16329 1 37 40 LEU . 16329 1 38 41 ARG . 16329 1 39 42 LYS . 16329 1 40 43 ASN . 16329 1 41 44 TYR . 16329 1 42 45 ILE . 16329 1 43 46 ASP . 16329 1 44 47 ASN . 16329 1 45 48 HIS . 16329 1 46 49 LYS . 16329 1 47 50 VAL . 16329 1 48 51 GLU . 16329 1 49 52 TYR . 16329 1 50 53 GLN . 16329 1 51 54 PHE . 16329 1 52 55 VAL . 16329 1 53 56 ASN . 16329 1 54 57 LEU . 16329 1 55 58 ALA . 16329 1 56 59 PHE . 16329 1 57 60 LEU . 16329 1 58 61 GLY . 16329 1 59 62 LYS . 16329 1 60 63 ASP . 16329 1 61 64 SER . 16329 1 62 65 ILE . 16329 1 63 66 VAL . 16329 1 64 67 GLY . 16329 1 65 68 SER . 16329 1 66 69 ARG . 16329 1 67 70 ALA . 16329 1 68 71 SER . 16329 1 69 72 HIS . 16329 1 70 73 ALA . 16329 1 71 74 VAL . 16329 1 72 75 LEU . 16329 1 73 76 MET . 16329 1 74 77 TYR . 16329 1 75 78 ALA . 16329 1 76 79 PRO . 16329 1 77 80 LYS . 16329 1 78 81 SER . 16329 1 79 82 PHE . 16329 1 80 83 LEU . 16329 1 81 84 ASP . 16329 1 82 85 PHE . 16329 1 83 86 GLN . 16329 1 84 87 LYS . 16329 1 85 88 GLN . 16329 1 86 89 LEU . 16329 1 87 90 PHE . 16329 1 88 91 ALA . 16329 1 89 92 ALA . 16329 1 90 93 GLN . 16329 1 91 94 GLN . 16329 1 92 95 ASP . 16329 1 93 96 GLU . 16329 1 94 97 ASN . 16329 1 95 98 LYS . 16329 1 96 99 GLU . 16329 1 97 100 TRP . 16329 1 98 101 LEU . 16329 1 99 102 THR . 16329 1 100 103 LYS . 16329 1 101 104 GLU . 16329 1 102 105 LEU . 16329 1 103 106 LEU . 16329 1 104 107 ASP . 16329 1 105 108 LYS . 16329 1 106 109 HIS . 16329 1 107 110 ILE . 16329 1 108 111 LYS . 16329 1 109 112 GLN . 16329 1 110 113 LEU . 16329 1 111 114 HIS . 16329 1 112 115 LEU . 16329 1 113 116 ASP . 16329 1 114 117 LYS . 16329 1 115 118 GLU . 16329 1 116 119 THR . 16329 1 117 120 GLU . 16329 1 118 121 ASN . 16329 1 119 122 LYS . 16329 1 120 123 ILE . 16329 1 121 124 ILE . 16329 1 122 125 LYS . 16329 1 123 126 ASP . 16329 1 124 127 TYR . 16329 1 125 128 LYS . 16329 1 126 129 THR . 16329 1 127 130 LYS . 16329 1 128 131 ASP . 16329 1 129 132 SER . 16329 1 130 133 LYS . 16329 1 131 134 SER . 16329 1 132 135 TRP . 16329 1 133 136 LYS . 16329 1 134 137 ALA . 16329 1 135 138 ALA . 16329 1 136 139 GLU . 16329 1 137 140 LYS . 16329 1 138 141 ASP . 16329 1 139 142 LYS . 16329 1 140 143 LYS . 16329 1 141 144 ILE . 16329 1 142 145 ALA . 16329 1 143 146 LYS . 16329 1 144 147 ASP . 16329 1 145 148 ASN . 16329 1 146 149 HIS . 16329 1 147 150 ILE . 16329 1 148 151 LYS . 16329 1 149 152 THR . 16329 1 150 153 THR . 16329 1 151 154 PRO . 16329 1 152 155 THR . 16329 1 153 156 ALA . 16329 1 154 157 PHE . 16329 1 155 158 ILE . 16329 1 156 159 ASN . 16329 1 157 160 GLY . 16329 1 158 161 GLU . 16329 1 159 162 LYS . 16329 1 160 163 VAL . 16329 1 161 164 GLU . 16329 1 162 165 ASP . 16329 1 163 166 PRO . 16329 1 164 167 TYR . 16329 1 165 168 ASP . 16329 1 166 169 TYR . 16329 1 167 170 GLU . 16329 1 168 171 SER . 16329 1 169 172 TYR . 16329 1 170 173 GLU . 16329 1 171 174 LYS . 16329 1 172 175 LEU . 16329 1 173 176 LEU . 16329 1 174 177 LYS . 16329 1 175 178 ASP . 16329 1 176 179 LYS . 16329 1 177 180 ILE . 16329 1 178 181 LYS . 16329 1 179 182 LEU . 16329 1 180 183 GLU . 16329 1 181 184 HIS . 16329 1 182 185 HIS . 16329 1 183 186 HIS . 16329 1 184 187 HIS . 16329 1 185 188 HIS . 16329 1 186 189 HIS . 16329 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 16329 1 . ALA 2 2 16329 1 . SER 3 3 16329 1 . ALA 4 4 16329 1 . THR 5 5 16329 1 . THR 6 6 16329 1 . SER 7 7 16329 1 . SER 8 8 16329 1 . LYS 9 9 16329 1 . ASN 10 10 16329 1 . GLY 11 11 16329 1 . LYS 12 12 16329 1 . PRO 13 13 16329 1 . LEU 14 14 16329 1 . VAL 15 15 16329 1 . VAL 16 16 16329 1 . VAL 17 17 16329 1 . TYR 18 18 16329 1 . GLY 19 19 16329 1 . ASP 20 20 16329 1 . TYR 21 21 16329 1 . LYS 22 22 16329 1 . CYS 23 23 16329 1 . PRO 24 24 16329 1 . TYR 25 25 16329 1 . CYS 26 26 16329 1 . LYS 27 27 16329 1 . GLU 28 28 16329 1 . LEU 29 29 16329 1 . ASP 30 30 16329 1 . GLU 31 31 16329 1 . LYS 32 32 16329 1 . VAL 33 33 16329 1 . MET 34 34 16329 1 . PRO 35 35 16329 1 . LYS 36 36 16329 1 . LEU 37 37 16329 1 . ARG 38 38 16329 1 . LYS 39 39 16329 1 . ASN 40 40 16329 1 . TYR 41 41 16329 1 . ILE 42 42 16329 1 . ASP 43 43 16329 1 . ASN 44 44 16329 1 . HIS 45 45 16329 1 . LYS 46 46 16329 1 . VAL 47 47 16329 1 . GLU 48 48 16329 1 . TYR 49 49 16329 1 . GLN 50 50 16329 1 . PHE 51 51 16329 1 . VAL 52 52 16329 1 . ASN 53 53 16329 1 . LEU 54 54 16329 1 . ALA 55 55 16329 1 . PHE 56 56 16329 1 . LEU 57 57 16329 1 . GLY 58 58 16329 1 . LYS 59 59 16329 1 . ASP 60 60 16329 1 . SER 61 61 16329 1 . ILE 62 62 16329 1 . VAL 63 63 16329 1 . GLY 64 64 16329 1 . SER 65 65 16329 1 . ARG 66 66 16329 1 . ALA 67 67 16329 1 . SER 68 68 16329 1 . HIS 69 69 16329 1 . ALA 70 70 16329 1 . VAL 71 71 16329 1 . LEU 72 72 16329 1 . MET 73 73 16329 1 . TYR 74 74 16329 1 . ALA 75 75 16329 1 . PRO 76 76 16329 1 . LYS 77 77 16329 1 . SER 78 78 16329 1 . PHE 79 79 16329 1 . LEU 80 80 16329 1 . ASP 81 81 16329 1 . PHE 82 82 16329 1 . GLN 83 83 16329 1 . LYS 84 84 16329 1 . GLN 85 85 16329 1 . LEU 86 86 16329 1 . PHE 87 87 16329 1 . ALA 88 88 16329 1 . ALA 89 89 16329 1 . GLN 90 90 16329 1 . GLN 91 91 16329 1 . ASP 92 92 16329 1 . GLU 93 93 16329 1 . ASN 94 94 16329 1 . LYS 95 95 16329 1 . GLU 96 96 16329 1 . TRP 97 97 16329 1 . LEU 98 98 16329 1 . THR 99 99 16329 1 . LYS 100 100 16329 1 . GLU 101 101 16329 1 . LEU 102 102 16329 1 . LEU 103 103 16329 1 . ASP 104 104 16329 1 . LYS 105 105 16329 1 . HIS 106 106 16329 1 . ILE 107 107 16329 1 . LYS 108 108 16329 1 . GLN 109 109 16329 1 . LEU 110 110 16329 1 . HIS 111 111 16329 1 . LEU 112 112 16329 1 . ASP 113 113 16329 1 . LYS 114 114 16329 1 . GLU 115 115 16329 1 . THR 116 116 16329 1 . GLU 117 117 16329 1 . ASN 118 118 16329 1 . LYS 119 119 16329 1 . ILE 120 120 16329 1 . ILE 121 121 16329 1 . LYS 122 122 16329 1 . ASP 123 123 16329 1 . TYR 124 124 16329 1 . LYS 125 125 16329 1 . THR 126 126 16329 1 . LYS 127 127 16329 1 . ASP 128 128 16329 1 . SER 129 129 16329 1 . LYS 130 130 16329 1 . SER 131 131 16329 1 . TRP 132 132 16329 1 . LYS 133 133 16329 1 . ALA 134 134 16329 1 . ALA 135 135 16329 1 . GLU 136 136 16329 1 . LYS 137 137 16329 1 . ASP 138 138 16329 1 . LYS 139 139 16329 1 . LYS 140 140 16329 1 . ILE 141 141 16329 1 . ALA 142 142 16329 1 . LYS 143 143 16329 1 . ASP 144 144 16329 1 . ASN 145 145 16329 1 . HIS 146 146 16329 1 . ILE 147 147 16329 1 . LYS 148 148 16329 1 . THR 149 149 16329 1 . THR 150 150 16329 1 . PRO 151 151 16329 1 . THR 152 152 16329 1 . ALA 153 153 16329 1 . PHE 154 154 16329 1 . ILE 155 155 16329 1 . ASN 156 156 16329 1 . GLY 157 157 16329 1 . GLU 158 158 16329 1 . LYS 159 159 16329 1 . VAL 160 160 16329 1 . GLU 161 161 16329 1 . ASP 162 162 16329 1 . PRO 163 163 16329 1 . TYR 164 164 16329 1 . ASP 165 165 16329 1 . TYR 166 166 16329 1 . GLU 167 167 16329 1 . SER 168 168 16329 1 . TYR 169 169 16329 1 . GLU 170 170 16329 1 . LYS 171 171 16329 1 . LEU 172 172 16329 1 . LEU 173 173 16329 1 . LYS 174 174 16329 1 . ASP 175 175 16329 1 . LYS 176 176 16329 1 . ILE 177 177 16329 1 . LYS 178 178 16329 1 . LEU 179 179 16329 1 . GLU 180 180 16329 1 . HIS 181 181 16329 1 . HIS 182 182 16329 1 . HIS 183 183 16329 1 . HIS 184 184 16329 1 . HIS 185 185 16329 1 . HIS 186 186 16329 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 16329 _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 $SaDsbA_oxidoreductase . 1290 organism . 'Staphylococcus aureus' 'Staphylococcus aureus' . . Bacteria . Staphylococcus aureus . . . . . . . . . . . . . . . . . . . . . 16329 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 16329 _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 $SaDsbA_oxidoreductase . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21 DE3 . . . . . . . . . . . . . . pET21a . . . . . . 16329 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 16329 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '10mM HEPES, 50mM NaCl, pH 6.8' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'SaDsbA oxidoreductase' '[U-95% 13C; U-90% 15N]' . . 1 $SaDsbA_oxidoreductase . . 0.24 . . mM 0.04 . . . 16329 1 2 HEPES 'natural abundance' . . . . . . 10 . . mM . . . . 16329 1 3 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 16329 1 4 H2O 'natural abundance' . . . . . . 90 . . % . . . . 16329 1 5 D2O 'natural abundance' . . . . . . 10 . . % . . . . 16329 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 16329 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 50 . mM 16329 1 pH 6.8 . pH 16329 1 pressure 1 . atm 16329 1 temperature 318 . K 16329 1 stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 16329 _Software.ID 1 _Software.Name SPARKY _Software.Version 3.113 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard 'University of California, San Francisco' . 16329 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 16329 1 'peak picking' 16329 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 16329 _Software.ID 2 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 16329 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 16329 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 16329 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details Cryoprobe _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 16329 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details Cryoprobe _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 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 16329 _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 Varian INOVA . 600 Cryoprobe . . 16329 1 2 spectrometer_2 Bruker Avance . 800 Cryoprobe . . 16329 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 16329 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16329 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16329 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16329 1 4 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16329 1 5 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16329 1 6 '3D HNCACO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16329 1 7 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16329 1 8 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16329 1 9 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16329 1 10 '3D C(CO)NH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16329 1 11 (HB)CB(CGCD)HD no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16329 1 12 (HB)CB(CGCDCE)HE no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16329 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 16329 _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 0.00 na indirect 0.251449530 . . . . . . . . . 16329 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 16329 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 16329 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 16329 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _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 '2D 1H-15N HSQC' . . . 16329 1 2 '2D 1H-13C HSQC' . . . 16329 1 3 '3D CBCA(CO)NH' . . . 16329 1 4 '3D HNCACB' . . . 16329 1 5 '3D HNCO' . . . 16329 1 6 '3D HNCACO' . . . 16329 1 7 '3D HBHA(CO)NH' . . . 16329 1 8 '3D HCCH-TOCSY' . . . 16329 1 9 '3D 1H-15N NOESY' . . . 16329 1 10 '3D C(CO)NH-TOCSY' . . . 16329 1 11 (HB)CB(CGCD)HD . . . 16329 1 12 (HB)CB(CGCDCE)HE . . . 16329 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $SPARKY . . 16329 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 9 9 LYS HA H 1 4.369 0.004 8 1 . . . . 12 LYS HA . 16329 1 2 . 1 1 9 9 LYS HB2 H 1 1.872 0.007 7 2 . . . . 12 LYS HB2 . 16329 1 3 . 1 1 9 9 LYS HB3 H 1 1.746 0.003 7 2 . . . . 12 LYS HB3 . 16329 1 4 . 1 1 9 9 LYS HG2 H 1 1.442 0.004 6 2 . . . . 12 LYS HG2 . 16329 1 5 . 1 1 9 9 LYS CA C 13 56.428 0.006 6 1 . . . . 12 LYS CA . 16329 1 6 . 1 1 9 9 LYS CB C 13 33.424 0.004 7 1 . . . . 12 LYS CB . 16329 1 7 . 1 1 9 9 LYS CG C 13 24.496 0 4 1 . . . . 12 LYS CG . 16329 1 8 . 1 1 10 10 ASN H H 1 7.968 0.003 7 1 . . . . 13 ASN H . 16329 1 9 . 1 1 10 10 ASN HA H 1 4.504 0.003 6 1 . . . . 13 ASN HA . 16329 1 10 . 1 1 10 10 ASN HB2 H 1 2.844 0.002 6 2 . . . . 13 ASN HB2 . 16329 1 11 . 1 1 10 10 ASN HB3 H 1 2.712 0.002 6 2 . . . . 13 ASN HB3 . 16329 1 12 . 1 1 10 10 ASN C C 13 176.292 0 1 1 . . . . 13 ASN C . 16329 1 13 . 1 1 10 10 ASN CA C 13 55.455 0.519 4 1 . . . . 13 ASN CA . 16329 1 14 . 1 1 10 10 ASN CB C 13 41.216 0.015 8 1 . . . . 13 ASN CB . 16329 1 15 . 1 1 10 10 ASN N N 15 125.492 0.019 6 1 . . . . 13 ASN N . 16329 1 16 . 1 1 11 11 GLY H H 1 8.159 0.003 8 1 . . . . 14 GLY H . 16329 1 17 . 1 1 11 11 GLY HA2 H 1 3.983 0.004 4 2 . . . . 14 GLY HA2 . 16329 1 18 . 1 1 11 11 GLY HA3 H 1 3.908 0.003 4 2 . . . . 14 GLY HA3 . 16329 1 19 . 1 1 11 11 GLY C C 13 174.092 0.046 2 1 . . . . 14 GLY C . 16329 1 20 . 1 1 11 11 GLY CA C 13 45.451 0.033 5 1 . . . . 14 GLY CA . 16329 1 21 . 1 1 11 11 GLY N N 15 113.571 0.057 8 1 . . . . 14 GLY N . 16329 1 22 . 1 1 12 12 LYS H H 1 8.030 0.079 9 1 . . . . 15 LYS H . 16329 1 23 . 1 1 12 12 LYS C C 13 174.210 0 1 1 . . . . 15 LYS C . 16329 1 24 . 1 1 12 12 LYS CA C 13 54.517 0 1 1 . . . . 15 LYS CA . 16329 1 25 . 1 1 12 12 LYS CB C 13 33.133 0.018 2 1 . . . . 15 LYS CB . 16329 1 26 . 1 1 12 12 LYS N N 15 121.632 0.098 9 1 . . . . 15 LYS N . 16329 1 27 . 1 1 13 13 PRO HA H 1 4.684 0.105 5 1 . . . . 16 PRO HA . 16329 1 28 . 1 1 13 13 PRO HB2 H 1 2.030 0.007 5 2 . . . . 16 PRO HB2 . 16329 1 29 . 1 1 13 13 PRO HB3 H 1 1.587 0.006 5 2 . . . . 16 PRO HB3 . 16329 1 30 . 1 1 13 13 PRO C C 13 173.687 0.033 2 1 . . . . 16 PRO C . 16329 1 31 . 1 1 13 13 PRO CA C 13 63.093 0.029 5 1 . . . . 16 PRO CA . 16329 1 32 . 1 1 13 13 PRO CB C 13 32.546 0.082 5 1 . . . . 16 PRO CB . 16329 1 33 . 1 1 14 14 LEU H H 1 8.206 0.004 20 1 . . . . 17 LEU H . 16329 1 34 . 1 1 14 14 LEU HA H 1 4.989 0.007 15 1 . . . . 17 LEU HA . 16329 1 35 . 1 1 14 14 LEU HB2 H 1 1.781 0.01 13 2 . . . . 17 LEU HB2 . 16329 1 36 . 1 1 14 14 LEU HB3 H 1 1.460 0.011 13 2 . . . . 17 LEU HB3 . 16329 1 37 . 1 1 14 14 LEU HD11 H 1 0.752 0.01 17 2 . . . . 17 LEU HD1 . 16329 1 38 . 1 1 14 14 LEU HD12 H 1 0.752 0.01 17 2 . . . . 17 LEU HD1 . 16329 1 39 . 1 1 14 14 LEU HD13 H 1 0.752 0.01 17 2 . . . . 17 LEU HD1 . 16329 1 40 . 1 1 14 14 LEU HG H 1 1.328 0.004 11 1 . . . . 17 LEU HG . 16329 1 41 . 1 1 14 14 LEU C C 13 175.752 0.033 2 1 . . . . 17 LEU C . 16329 1 42 . 1 1 14 14 LEU CA C 13 53.710 0.034 10 1 . . . . 17 LEU CA . 16329 1 43 . 1 1 14 14 LEU CB C 13 44.601 0.043 13 1 . . . . 17 LEU CB . 16329 1 44 . 1 1 14 14 LEU CD1 C 13 25.588 0 5 2 . . . . 17 LEU CD1 . 16329 1 45 . 1 1 14 14 LEU CD2 C 13 23.139 0 5 2 . . . . 17 LEU CD2 . 16329 1 46 . 1 1 14 14 LEU CG C 13 27.443 0 5 1 . . . . 17 LEU CG . 16329 1 47 . 1 1 14 14 LEU N N 15 123.403 0.043 19 1 . . . . 17 LEU N . 16329 1 48 . 1 1 15 15 VAL H H 1 9.202 0.005 20 1 . . . . 18 VAL H . 16329 1 49 . 1 1 15 15 VAL HA H 1 4.900 0.007 9 1 . . . . 18 VAL HA . 16329 1 50 . 1 1 15 15 VAL HB H 1 2.347 0.008 10 1 . . . . 18 VAL HB . 16329 1 51 . 1 1 15 15 VAL HG11 H 1 1.109 0.007 8 2 . . . . 18 VAL HG1 . 16329 1 52 . 1 1 15 15 VAL HG12 H 1 1.109 0.007 8 2 . . . . 18 VAL HG1 . 16329 1 53 . 1 1 15 15 VAL HG13 H 1 1.109 0.007 8 2 . . . . 18 VAL HG1 . 16329 1 54 . 1 1 15 15 VAL HG21 H 1 1.020 0.031 10 2 . . . . 18 VAL HG2 . 16329 1 55 . 1 1 15 15 VAL HG22 H 1 1.020 0.031 10 2 . . . . 18 VAL HG2 . 16329 1 56 . 1 1 15 15 VAL HG23 H 1 1.020 0.031 10 2 . . . . 18 VAL HG2 . 16329 1 57 . 1 1 15 15 VAL C C 13 173.778 0.016 2 1 . . . . 18 VAL C . 16329 1 58 . 1 1 15 15 VAL CA C 13 61.166 0.03 7 1 . . . . 18 VAL CA . 16329 1 59 . 1 1 15 15 VAL CB C 13 33.087 0.031 7 1 . . . . 18 VAL CB . 16329 1 60 . 1 1 15 15 VAL CG1 C 13 20.323 0.047 4 2 . . . . 18 VAL CG1 . 16329 1 61 . 1 1 15 15 VAL CG2 C 13 20.690 0 4 2 . . . . 18 VAL CG2 . 16329 1 62 . 1 1 15 15 VAL N N 15 129.347 0.069 19 1 . . . . 18 VAL N . 16329 1 63 . 1 1 16 16 VAL H H 1 9.192 0.007 21 1 . . . . 19 VAL H . 16329 1 64 . 1 1 16 16 VAL HA H 1 5.119 0.004 10 1 . . . . 19 VAL HA . 16329 1 65 . 1 1 16 16 VAL HB H 1 1.826 0.014 11 1 . . . . 19 VAL HB . 16329 1 66 . 1 1 16 16 VAL HG11 H 1 0.739 0.004 8 2 . . . . 19 VAL HG1 . 16329 1 67 . 1 1 16 16 VAL HG12 H 1 0.739 0.004 8 2 . . . . 19 VAL HG1 . 16329 1 68 . 1 1 16 16 VAL HG13 H 1 0.739 0.004 8 2 . . . . 19 VAL HG1 . 16329 1 69 . 1 1 16 16 VAL HG21 H 1 0.462 0.169 11 2 . . . . 19 VAL HG2 . 16329 1 70 . 1 1 16 16 VAL HG22 H 1 0.462 0.169 11 2 . . . . 19 VAL HG2 . 16329 1 71 . 1 1 16 16 VAL HG23 H 1 0.462 0.169 11 2 . . . . 19 VAL HG2 . 16329 1 72 . 1 1 16 16 VAL C C 13 175.302 0.034 3 1 . . . . 19 VAL C . 16329 1 73 . 1 1 16 16 VAL CA C 13 60.241 0.067 7 1 . . . . 19 VAL CA . 16329 1 74 . 1 1 16 16 VAL CB C 13 34.500 0.033 7 1 . . . . 19 VAL CB . 16329 1 75 . 1 1 16 16 VAL CG1 C 13 21.602 0 4 2 . . . . 19 VAL CG1 . 16329 1 76 . 1 1 16 16 VAL CG2 C 13 21.578 0 4 2 . . . . 19 VAL CG2 . 16329 1 77 . 1 1 16 16 VAL N N 15 127.361 0.071 19 1 . . . . 19 VAL N . 16329 1 78 . 1 1 17 17 VAL H H 1 8.562 0.01 24 1 . . . . 20 VAL H . 16329 1 79 . 1 1 17 17 VAL HA H 1 4.773 0.008 10 1 . . . . 20 VAL HA . 16329 1 80 . 1 1 17 17 VAL HB H 1 2.247 0.01 9 1 . . . . 20 VAL HB . 16329 1 81 . 1 1 17 17 VAL HG11 H 1 1.225 0.009 10 2 . . . . 20 VAL HG1 . 16329 1 82 . 1 1 17 17 VAL HG12 H 1 1.225 0.009 10 2 . . . . 20 VAL HG1 . 16329 1 83 . 1 1 17 17 VAL HG13 H 1 1.225 0.009 10 2 . . . . 20 VAL HG1 . 16329 1 84 . 1 1 17 17 VAL HG21 H 1 1.102 0.007 10 2 . . . . 20 VAL HG2 . 16329 1 85 . 1 1 17 17 VAL HG22 H 1 1.102 0.007 10 2 . . . . 20 VAL HG2 . 16329 1 86 . 1 1 17 17 VAL HG23 H 1 1.102 0.007 10 2 . . . . 20 VAL HG2 . 16329 1 87 . 1 1 17 17 VAL C C 13 173.850 0.008 3 1 . . . . 20 VAL C . 16329 1 88 . 1 1 17 17 VAL CA C 13 61.463 0.053 7 1 . . . . 20 VAL CA . 16329 1 89 . 1 1 17 17 VAL CB C 13 35.331 0.036 7 1 . . . . 20 VAL CB . 16329 1 90 . 1 1 17 17 VAL CG1 C 13 21.588 0.102 4 2 . . . . 20 VAL CG1 . 16329 1 91 . 1 1 17 17 VAL CG2 C 13 21.690 0.057 4 2 . . . . 20 VAL CG2 . 16329 1 92 . 1 1 17 17 VAL N N 15 126.104 0.041 22 1 . . . . 20 VAL N . 16329 1 93 . 1 1 18 18 TYR H H 1 9.115 0.006 24 1 . . . . 21 TYR H . 16329 1 94 . 1 1 18 18 TYR HA H 1 5.139 0.006 8 1 . . . . 21 TYR HA . 16329 1 95 . 1 1 18 18 TYR HB2 H 1 2.901 0.006 9 2 . . . . 21 TYR HB2 . 16329 1 96 . 1 1 18 18 TYR HB3 H 1 2.614 0.008 8 2 . . . . 21 TYR HB3 . 16329 1 97 . 1 1 18 18 TYR C C 13 177.289 0.023 3 1 . . . . 21 TYR C . 16329 1 98 . 1 1 18 18 TYR CA C 13 56.065 0.044 6 1 . . . . 21 TYR CA . 16329 1 99 . 1 1 18 18 TYR CB C 13 39.703 0.021 9 1 . . . . 21 TYR CB . 16329 1 100 . 1 1 18 18 TYR N N 15 124.796 0.039 23 1 . . . . 21 TYR N . 16329 1 101 . 1 1 19 19 GLY H H 1 8.393 0.006 20 1 . . . . 22 GLY H . 16329 1 102 . 1 1 19 19 GLY HA2 H 1 4.420 0.027 6 2 . . . . 22 GLY HA2 . 16329 1 103 . 1 1 19 19 GLY HA3 H 1 4.346 0.009 4 2 . . . . 22 GLY HA3 . 16329 1 104 . 1 1 19 19 GLY C C 13 169.974 0.006 3 1 . . . . 22 GLY C . 16329 1 105 . 1 1 19 19 GLY CA C 13 46.839 0.044 7 1 . . . . 22 GLY CA . 16329 1 106 . 1 1 19 19 GLY N N 15 107.914 0.034 19 1 . . . . 22 GLY N . 16329 1 107 . 1 1 20 20 ASP H H 1 7.174 0.005 18 1 . . . . 23 ASP H . 16329 1 108 . 1 1 20 20 ASP HA H 1 4.866 0.005 8 1 . . . . 23 ASP HA . 16329 1 109 . 1 1 20 20 ASP HB2 H 1 3.147 0.012 7 2 . . . . 23 ASP HB2 . 16329 1 110 . 1 1 20 20 ASP HB3 H 1 2.584 0.006 6 2 . . . . 23 ASP HB3 . 16329 1 111 . 1 1 20 20 ASP C C 13 178.557 0.052 3 1 . . . . 23 ASP C . 16329 1 112 . 1 1 20 20 ASP CA C 13 55.104 0.029 6 1 . . . . 23 ASP CA . 16329 1 113 . 1 1 20 20 ASP CB C 13 45.792 0.046 8 1 . . . . 23 ASP CB . 16329 1 114 . 1 1 20 20 ASP N N 15 118.998 0.02 16 1 . . . . 23 ASP N . 16329 1 115 . 1 1 21 21 TYR H H 1 7.849 0.007 19 1 . . . . 24 TYR H . 16329 1 116 . 1 1 21 21 TYR HA H 1 4.468 0.008 7 1 . . . . 24 TYR HA . 16329 1 117 . 1 1 21 21 TYR HB2 H 1 2.871 0.009 8 2 . . . . 24 TYR HB2 . 16329 1 118 . 1 1 21 21 TYR HB3 H 1 2.604 0.005 8 2 . . . . 24 TYR HB3 . 16329 1 119 . 1 1 21 21 TYR C C 13 176.006 0.013 2 1 . . . . 24 TYR C . 16329 1 120 . 1 1 21 21 TYR CA C 13 62.838 0.043 6 1 . . . . 24 TYR CA . 16329 1 121 . 1 1 21 21 TYR CB C 13 37.662 0.044 9 1 . . . . 24 TYR CB . 16329 1 122 . 1 1 21 21 TYR N N 15 127.197 0.028 17 1 . . . . 24 TYR N . 16329 1 123 . 1 1 22 22 LYS H H 1 9.779 0.006 21 1 . . . . 25 LYS H . 16329 1 124 . 1 1 22 22 LYS HA H 1 4.938 0.01 6 1 . . . . 25 LYS HA . 16329 1 125 . 1 1 22 22 LYS HB2 H 1 2.227 0.006 2 2 . . . . 25 LYS HB2 . 16329 1 126 . 1 1 22 22 LYS HB3 H 1 1.719 0 1 2 . . . . 25 LYS HB3 . 16329 1 127 . 1 1 22 22 LYS C C 13 176.709 0.033 2 1 . . . . 25 LYS C . 16329 1 128 . 1 1 22 22 LYS CA C 13 57.053 0.04 6 1 . . . . 25 LYS CA . 16329 1 129 . 1 1 22 22 LYS CB C 13 32.201 0.063 3 1 . . . . 25 LYS CB . 16329 1 130 . 1 1 22 22 LYS N N 15 116.190 0.06 18 1 . . . . 25 LYS N . 16329 1 131 . 1 1 23 23 CYS H H 1 7.553 0.005 23 1 . . . . 26 CYS H . 16329 1 132 . 1 1 23 23 CYS HA H 1 4.848 0.013 7 1 . . . . 26 CYS HA . 16329 1 133 . 1 1 23 23 CYS HB2 H 1 4.283 0.004 7 2 . . . . 26 CYS HB2 . 16329 1 134 . 1 1 23 23 CYS HB3 H 1 4.039 0.015 10 2 . . . . 26 CYS HB3 . 16329 1 135 . 1 1 23 23 CYS C C 13 174.972 0 1 1 . . . . 26 CYS C . 16329 1 136 . 1 1 23 23 CYS CA C 13 52.998 0.021 4 1 . . . . 26 CYS CA . 16329 1 137 . 1 1 23 23 CYS CB C 13 46.012 0.085 7 1 . . . . 26 CYS CB . 16329 1 138 . 1 1 23 23 CYS N N 15 120.749 0.024 20 1 . . . . 26 CYS N . 16329 1 139 . 1 1 24 24 PRO HA H 1 5.352 0.003 11 1 . . . . 27 PRO HA . 16329 1 140 . 1 1 24 24 PRO HB2 H 1 2.395 0.004 10 2 . . . . 27 PRO HB2 . 16329 1 141 . 1 1 24 24 PRO HB3 H 1 1.857 0.008 10 2 . . . . 27 PRO HB3 . 16329 1 142 . 1 1 24 24 PRO HG2 H 1 2.138 0.007 10 2 . . . . 27 PRO HG2 . 16329 1 143 . 1 1 24 24 PRO HG3 H 1 1.999 0.003 10 2 . . . . 27 PRO HG3 . 16329 1 144 . 1 1 24 24 PRO C C 13 181.072 0.089 2 1 . . . . 27 PRO C . 16329 1 145 . 1 1 24 24 PRO CA C 13 66.067 0.045 7 1 . . . . 27 PRO CA . 16329 1 146 . 1 1 24 24 PRO CB C 13 32.590 0.032 12 1 . . . . 27 PRO CB . 16329 1 147 . 1 1 24 24 PRO CG C 13 28.247 0 10 1 . . . . 27 PRO CG . 16329 1 148 . 1 1 25 25 TYR H H 1 9.030 0.007 16 1 . . . . 28 TYR H . 16329 1 149 . 1 1 25 25 TYR HA H 1 4.588 0.004 2 1 . . . . 28 TYR HA . 16329 1 150 . 1 1 25 25 TYR C C 13 177.345 0.02 3 1 . . . . 28 TYR C . 16329 1 151 . 1 1 25 25 TYR CA C 13 60.600 0.05 3 1 . . . . 28 TYR CA . 16329 1 152 . 1 1 25 25 TYR CB C 13 36.339 0.072 3 1 . . . . 28 TYR CB . 16329 1 153 . 1 1 25 25 TYR N N 15 118.697 0.024 15 1 . . . . 28 TYR N . 16329 1 154 . 1 1 26 26 CYS H H 1 8.953 0.005 21 1 . . . . 29 CYS H . 16329 1 155 . 1 1 26 26 CYS HA H 1 4.523 0.017 6 1 . . . . 29 CYS HA . 16329 1 156 . 1 1 26 26 CYS HB2 H 1 3.585 0.016 7 2 . . . . 29 CYS HB2 . 16329 1 157 . 1 1 26 26 CYS C C 13 175.796 0.021 2 1 . . . . 29 CYS C . 16329 1 158 . 1 1 26 26 CYS CA C 13 63.232 0.022 5 1 . . . . 29 CYS CA . 16329 1 159 . 1 1 26 26 CYS CB C 13 34.862 0.066 4 1 . . . . 29 CYS CB . 16329 1 160 . 1 1 26 26 CYS N N 15 119.883 0.033 18 1 . . . . 29 CYS N . 16329 1 161 . 1 1 27 27 LYS H H 1 7.365 0.005 19 1 . . . . 30 LYS H . 16329 1 162 . 1 1 27 27 LYS HA H 1 3.102 0.008 18 1 . . . . 30 LYS HA . 16329 1 163 . 1 1 27 27 LYS HB2 H 1 2.301 0.005 15 2 . . . . 30 LYS HB2 . 16329 1 164 . 1 1 27 27 LYS HB3 H 1 1.986 0.049 14 2 . . . . 30 LYS HB3 . 16329 1 165 . 1 1 27 27 LYS HD2 H 1 1.809 0.014 14 2 . . . . 30 LYS HD2 . 16329 1 166 . 1 1 27 27 LYS HD3 H 1 1.572 0.005 14 2 . . . . 30 LYS HD3 . 16329 1 167 . 1 1 27 27 LYS HE2 H 1 3.026 0.002 13 2 . . . . 30 LYS HE2 . 16329 1 168 . 1 1 27 27 LYS HG2 H 1 1.213 0.004 14 2 . . . . 30 LYS HG2 . 16329 1 169 . 1 1 27 27 LYS C C 13 176.962 0.028 3 1 . . . . 30 LYS C . 16329 1 170 . 1 1 27 27 LYS CA C 13 59.303 0.005 10 1 . . . . 30 LYS CA . 16329 1 171 . 1 1 27 27 LYS CB C 13 32.506 0.032 17 1 . . . . 30 LYS CB . 16329 1 172 . 1 1 27 27 LYS CD C 13 30.504 0 14 1 . . . . 30 LYS CD . 16329 1 173 . 1 1 27 27 LYS CE C 13 42.346 0 6 1 . . . . 30 LYS CE . 16329 1 174 . 1 1 27 27 LYS CG C 13 24.613 0 7 1 . . . . 30 LYS CG . 16329 1 175 . 1 1 27 27 LYS N N 15 123.859 0.034 17 1 . . . . 30 LYS N . 16329 1 176 . 1 1 28 28 GLU H H 1 7.221 0.006 20 1 . . . . 31 GLU H . 16329 1 177 . 1 1 28 28 GLU HA H 1 4.110 0.008 7 1 . . . . 31 GLU HA . 16329 1 178 . 1 1 28 28 GLU HB2 H 1 2.199 0.011 9 2 . . . . 31 GLU HB2 . 16329 1 179 . 1 1 28 28 GLU HG2 H 1 2.331 0.004 7 2 . . . . 31 GLU HG2 . 16329 1 180 . 1 1 28 28 GLU HG3 H 1 2.183 0.003 7 2 . . . . 31 GLU HG3 . 16329 1 181 . 1 1 28 28 GLU C C 13 178.138 0.009 3 1 . . . . 31 GLU C . 16329 1 182 . 1 1 28 28 GLU CA C 13 59.893 0.034 7 1 . . . . 31 GLU CA . 16329 1 183 . 1 1 28 28 GLU CB C 13 29.250 0.038 6 1 . . . . 31 GLU CB . 16329 1 184 . 1 1 28 28 GLU CG C 13 35.921 0 6 1 . . . . 31 GLU CG . 16329 1 185 . 1 1 28 28 GLU N N 15 118.736 0.029 18 1 . . . . 31 GLU N . 16329 1 186 . 1 1 29 29 LEU H H 1 7.708 0.01 26 1 . . . . 32 LEU H . 16329 1 187 . 1 1 29 29 LEU HA H 1 3.968 0.005 12 1 . . . . 32 LEU HA . 16329 1 188 . 1 1 29 29 LEU HB2 H 1 1.923 0.009 17 2 . . . . 32 LEU HB2 . 16329 1 189 . 1 1 29 29 LEU HB3 H 1 1.763 0.012 12 2 . . . . 32 LEU HB3 . 16329 1 190 . 1 1 29 29 LEU HD11 H 1 0.866 0.003 10 2 . . . . 32 LEU HD1 . 16329 1 191 . 1 1 29 29 LEU HD12 H 1 0.866 0.003 10 2 . . . . 32 LEU HD1 . 16329 1 192 . 1 1 29 29 LEU HD13 H 1 0.866 0.003 10 2 . . . . 32 LEU HD1 . 16329 1 193 . 1 1 29 29 LEU HD21 H 1 0.795 0.006 11 2 . . . . 32 LEU HD2 . 16329 1 194 . 1 1 29 29 LEU HD22 H 1 0.795 0.006 11 2 . . . . 32 LEU HD2 . 16329 1 195 . 1 1 29 29 LEU HD23 H 1 0.795 0.006 11 2 . . . . 32 LEU HD2 . 16329 1 196 . 1 1 29 29 LEU HG H 1 0.865 0.009 3 1 . . . . 32 LEU HG . 16329 1 197 . 1 1 29 29 LEU C C 13 179.190 0.026 3 1 . . . . 32 LEU C . 16329 1 198 . 1 1 29 29 LEU CA C 13 61.341 0.034 8 1 . . . . 32 LEU CA . 16329 1 199 . 1 1 29 29 LEU CB C 13 42.558 0.036 13 1 . . . . 32 LEU CB . 16329 1 200 . 1 1 29 29 LEU CD1 C 13 22.102 0.007 5 2 . . . . 32 LEU CD1 . 16329 1 201 . 1 1 29 29 LEU CG C 13 29.282 0.004 10 1 . . . . 32 LEU CG . 16329 1 202 . 1 1 29 29 LEU N N 15 120.235 0.074 23 1 . . . . 32 LEU N . 16329 1 203 . 1 1 30 30 ASP H H 1 7.366 0.004 22 1 . . . . 33 ASP H . 16329 1 204 . 1 1 30 30 ASP HA H 1 3.942 0.006 8 1 . . . . 33 ASP HA . 16329 1 205 . 1 1 30 30 ASP HB2 H 1 2.266 0.003 7 2 . . . . 33 ASP HB2 . 16329 1 206 . 1 1 30 30 ASP HB3 H 1 1.873 0.011 8 2 . . . . 33 ASP HB3 . 16329 1 207 . 1 1 30 30 ASP C C 13 178.480 0.059 2 1 . . . . 33 ASP C . 16329 1 208 . 1 1 30 30 ASP CA C 13 59.235 0.031 6 1 . . . . 33 ASP CA . 16329 1 209 . 1 1 30 30 ASP CB C 13 44.233 0.049 9 1 . . . . 33 ASP CB . 16329 1 210 . 1 1 30 30 ASP N N 15 121.128 0.039 19 1 . . . . 33 ASP N . 16329 1 211 . 1 1 31 31 GLU H H 1 8.292 0.006 19 1 . . . . 34 GLU H . 16329 1 212 . 1 1 31 31 GLU HA H 1 3.910 0.012 11 1 . . . . 34 GLU HA . 16329 1 213 . 1 1 31 31 GLU HB2 H 1 2.204 0.006 6 2 . . . . 34 GLU HB2 . 16329 1 214 . 1 1 31 31 GLU HB3 H 1 1.975 0.083 10 2 . . . . 34 GLU HB3 . 16329 1 215 . 1 1 31 31 GLU HG2 H 1 2.435 0.007 9 2 . . . . 34 GLU HG2 . 16329 1 216 . 1 1 31 31 GLU HG3 H 1 2.203 0.007 7 2 . . . . 34 GLU HG3 . 16329 1 217 . 1 1 31 31 GLU C C 13 178.635 0.015 2 1 . . . . 34 GLU C . 16329 1 218 . 1 1 31 31 GLU CA C 13 59.388 0.023 7 1 . . . . 34 GLU CA . 16329 1 219 . 1 1 31 31 GLU CB C 13 30.797 0.017 11 1 . . . . 34 GLU CB . 16329 1 220 . 1 1 31 31 GLU CG C 13 36.640 0 8 1 . . . . 34 GLU CG . 16329 1 221 . 1 1 31 31 GLU N N 15 115.851 0.053 17 1 . . . . 34 GLU N . 16329 1 222 . 1 1 32 32 LYS H H 1 8.379 0.009 22 1 . . . . 35 LYS H . 16329 1 223 . 1 1 32 32 LYS HA H 1 4.290 0.007 15 1 . . . . 35 LYS HA . 16329 1 224 . 1 1 32 32 LYS HB2 H 1 2.065 0.006 14 2 . . . . 35 LYS HB2 . 16329 1 225 . 1 1 32 32 LYS HD2 H 1 1.848 0.003 8 2 . . . . 35 LYS HD2 . 16329 1 226 . 1 1 32 32 LYS HD3 H 1 1.745 0.009 13 2 . . . . 35 LYS HD3 . 16329 1 227 . 1 1 32 32 LYS HE2 H 1 3.083 0.007 2 2 . . . . 35 LYS HE1 . 16329 1 228 . 1 1 32 32 LYS HE3 H 1 3.058 0.004 13 2 . . . . 35 LYS HE2 . 16329 1 229 . 1 1 32 32 LYS HG2 H 1 1.839 0.005 12 2 . . . . 35 LYS HG2 . 16329 1 230 . 1 1 32 32 LYS HG3 H 1 1.555 0.008 14 2 . . . . 35 LYS HG3 . 16329 1 231 . 1 1 32 32 LYS C C 13 178.880 0.032 2 1 . . . . 35 LYS C . 16329 1 232 . 1 1 32 32 LYS CA C 13 58.816 0.029 9 1 . . . . 35 LYS CA . 16329 1 233 . 1 1 32 32 LYS CB C 13 34.896 0.025 9 1 . . . . 35 LYS CB . 16329 1 234 . 1 1 32 32 LYS CD C 13 29.682 0 12 1 . . . . 35 LYS CD . 16329 1 235 . 1 1 32 32 LYS CE C 13 42.810 0 6 1 . . . . 35 LYS CE . 16329 1 236 . 1 1 32 32 LYS CG C 13 26.611 0 12 1 . . . . 35 LYS CG . 16329 1 237 . 1 1 32 32 LYS N N 15 115.076 0.057 19 1 . . . . 35 LYS N . 16329 1 238 . 1 1 33 33 VAL H H 1 8.622 0.006 21 1 . . . . 36 VAL H . 16329 1 239 . 1 1 33 33 VAL HA H 1 4.043 0.007 9 1 . . . . 36 VAL HA . 16329 1 240 . 1 1 33 33 VAL HB H 1 2.068 0.012 10 1 . . . . 36 VAL HB . 16329 1 241 . 1 1 33 33 VAL HG11 H 1 0.962 0.017 11 2 . . . . 36 VAL HG1 . 16329 1 242 . 1 1 33 33 VAL HG12 H 1 0.962 0.017 11 2 . . . . 36 VAL HG1 . 16329 1 243 . 1 1 33 33 VAL HG13 H 1 0.962 0.017 11 2 . . . . 36 VAL HG1 . 16329 1 244 . 1 1 33 33 VAL HG21 H 1 0.295 0.004 10 2 . . . . 36 VAL HG2 . 16329 1 245 . 1 1 33 33 VAL HG22 H 1 0.295 0.004 10 2 . . . . 36 VAL HG2 . 16329 1 246 . 1 1 33 33 VAL HG23 H 1 0.295 0.004 10 2 . . . . 36 VAL HG2 . 16329 1 247 . 1 1 33 33 VAL C C 13 176.506 0.046 3 1 . . . . 36 VAL C . 16329 1 248 . 1 1 33 33 VAL CA C 13 64.847 0.058 7 1 . . . . 36 VAL CA . 16329 1 249 . 1 1 33 33 VAL CB C 13 34.128 0.119 7 1 . . . . 36 VAL CB . 16329 1 250 . 1 1 33 33 VAL CG1 C 13 22.155 0 4 2 . . . . 36 VAL CG1 . 16329 1 251 . 1 1 33 33 VAL CG2 C 13 20.690 0 4 2 . . . . 36 VAL CG2 . 16329 1 252 . 1 1 33 33 VAL N N 15 118.082 0.059 18 1 . . . . 36 VAL N . 16329 1 253 . 1 1 34 34 MET H H 1 7.025 0.006 27 1 . . . . 37 MET H . 16329 1 254 . 1 1 34 34 MET HA H 1 4.515 0.005 11 1 . . . . 37 MET HA . 16329 1 255 . 1 1 34 34 MET HB2 H 1 2.514 0.01 11 2 . . . . 37 MET HB2 . 16329 1 256 . 1 1 34 34 MET HB3 H 1 1.909 0.005 11 2 . . . . 37 MET HB3 . 16329 1 257 . 1 1 34 34 MET HE1 H 1 1.317 0.002 2 1 . . . . 37 MET HE . 16329 1 258 . 1 1 34 34 MET HE2 H 1 1.317 0.002 2 1 . . . . 37 MET HE . 16329 1 259 . 1 1 34 34 MET HE3 H 1 1.317 0.002 2 1 . . . . 37 MET HE . 16329 1 260 . 1 1 34 34 MET HG2 H 1 2.883 0.003 11 2 . . . . 37 MET HG2 . 16329 1 261 . 1 1 34 34 MET HG3 H 1 2.335 0.006 11 2 . . . . 37 MET HG3 . 16329 1 262 . 1 1 34 34 MET C C 13 175.195 0 1 1 . . . . 37 MET C . 16329 1 263 . 1 1 34 34 MET CA C 13 57.901 0.024 6 1 . . . . 37 MET CA . 16329 1 264 . 1 1 34 34 MET CB C 13 27.983 0.022 11 1 . . . . 37 MET CB . 16329 1 265 . 1 1 34 34 MET CE C 13 14.897 0 1 1 . . . . 37 MET CE . 16329 1 266 . 1 1 34 34 MET CG C 13 32.486 0.029 10 1 . . . . 37 MET CG . 16329 1 267 . 1 1 34 34 MET N N 15 116.417 0.034 24 1 . . . . 37 MET N . 16329 1 268 . 1 1 35 35 PRO HA H 1 4.122 0.005 7 1 . . . . 38 PRO HA . 16329 1 269 . 1 1 35 35 PRO HB2 H 1 2.248 0.037 7 2 . . . . 38 PRO HB2 . 16329 1 270 . 1 1 35 35 PRO HD2 H 1 3.144 0.005 3 2 . . . . 38 PRO HD2 . 16329 1 271 . 1 1 35 35 PRO HG2 H 1 1.696 0.001 2 2 . . . . 38 PRO HG2 . 16329 1 272 . 1 1 35 35 PRO C C 13 180.245 0.035 2 1 . . . . 38 PRO C . 16329 1 273 . 1 1 35 35 PRO CA C 13 67.185 0.021 5 1 . . . . 38 PRO CA . 16329 1 274 . 1 1 35 35 PRO CB C 13 31.199 0.08 5 1 . . . . 38 PRO CB . 16329 1 275 . 1 1 36 36 LYS H H 1 7.236 0.006 22 1 . . . . 39 LYS H . 16329 1 276 . 1 1 36 36 LYS HA H 1 3.826 0.006 12 1 . . . . 39 LYS HA . 16329 1 277 . 1 1 36 36 LYS HB2 H 1 1.066 0.009 12 2 . . . . 39 LYS HB2 . 16329 1 278 . 1 1 36 36 LYS HB3 H 1 0.676 0.008 11 2 . . . . 39 LYS HB3 . 16329 1 279 . 1 1 36 36 LYS HD2 H 1 1.217 0.004 11 2 . . . . 39 LYS HD2 . 16329 1 280 . 1 1 36 36 LYS HE2 H 1 2.731 0.003 9 2 . . . . 39 LYS HE2 . 16329 1 281 . 1 1 36 36 LYS HG2 H 1 1.051 0.118 3 2 . . . . 39 LYS HG2 . 16329 1 282 . 1 1 36 36 LYS C C 13 178.470 0.029 3 1 . . . . 39 LYS C . 16329 1 283 . 1 1 36 36 LYS CA C 13 59.299 0.017 8 1 . . . . 39 LYS CA . 16329 1 284 . 1 1 36 36 LYS CB C 13 32.409 0.057 13 1 . . . . 39 LYS CB . 16329 1 285 . 1 1 36 36 LYS CD C 13 29.687 0 6 1 . . . . 39 LYS CD . 16329 1 286 . 1 1 36 36 LYS CE C 13 42.297 0 4 1 . . . . 39 LYS CE . 16329 1 287 . 1 1 36 36 LYS CG C 13 26.189 0 1 1 . . . . 39 LYS CG . 16329 1 288 . 1 1 36 36 LYS N N 15 115.917 0.031 20 1 . . . . 39 LYS N . 16329 1 289 . 1 1 37 37 LEU H H 1 8.189 0.006 25 1 . . . . 40 LEU H . 16329 1 290 . 1 1 37 37 LEU HA H 1 4.346 0.006 11 1 . . . . 40 LEU HA . 16329 1 291 . 1 1 37 37 LEU HB2 H 1 1.735 0.01 11 2 . . . . 40 LEU HB2 . 16329 1 292 . 1 1 37 37 LEU HB3 H 1 1.582 0.012 10 2 . . . . 40 LEU HB3 . 16329 1 293 . 1 1 37 37 LEU HD11 H 1 0.907 0.013 3 2 . . . . 40 LEU HD1 . 16329 1 294 . 1 1 37 37 LEU HD12 H 1 0.907 0.013 3 2 . . . . 40 LEU HD1 . 16329 1 295 . 1 1 37 37 LEU HD13 H 1 0.907 0.013 3 2 . . . . 40 LEU HD1 . 16329 1 296 . 1 1 37 37 LEU HD21 H 1 0.719 0.008 6 2 . . . . 40 LEU HD2 . 16329 1 297 . 1 1 37 37 LEU HD22 H 1 0.719 0.008 6 2 . . . . 40 LEU HD2 . 16329 1 298 . 1 1 37 37 LEU HD23 H 1 0.719 0.008 6 2 . . . . 40 LEU HD2 . 16329 1 299 . 1 1 37 37 LEU HG H 1 1.223 0.437 7 1 . . . . 40 LEU HG . 16329 1 300 . 1 1 37 37 LEU C C 13 180.553 0.002 2 1 . . . . 40 LEU C . 16329 1 301 . 1 1 37 37 LEU CA C 13 58.728 0.069 7 1 . . . . 40 LEU CA . 16329 1 302 . 1 1 37 37 LEU CB C 13 43.124 0.019 11 1 . . . . 40 LEU CB . 16329 1 303 . 1 1 37 37 LEU CD1 C 13 25.070 0.127 4 2 . . . . 40 LEU CD1 . 16329 1 304 . 1 1 37 37 LEU CD2 C 13 24.604 0 3 2 . . . . 40 LEU CD2 . 16329 1 305 . 1 1 37 37 LEU CG C 13 26.912 0 3 1 . . . . 40 LEU CG . 16329 1 306 . 1 1 37 37 LEU N N 15 121.481 0.056 22 1 . . . . 40 LEU N . 16329 1 307 . 1 1 38 38 ARG H H 1 9.552 0.006 22 1 . . . . 41 ARG H . 16329 1 308 . 1 1 38 38 ARG HA H 1 3.920 0.005 7 1 . . . . 41 ARG HA . 16329 1 309 . 1 1 38 38 ARG HB2 H 1 1.946 0.008 7 2 . . . . 41 ARG HB2 . 16329 1 310 . 1 1 38 38 ARG HB3 H 1 1.804 0.006 7 2 . . . . 41 ARG HB3 . 16329 1 311 . 1 1 38 38 ARG HD2 H 1 2.985 0 1 2 . . . . 41 ARG HD1 . 16329 1 312 . 1 1 38 38 ARG HD3 H 1 3.010 0.005 2 2 . . . . 41 ARG HD2 . 16329 1 313 . 1 1 38 38 ARG HG2 H 1 1.499 0.006 3 2 . . . . 41 ARG HG2 . 16329 1 314 . 1 1 38 38 ARG C C 13 177.333 0.023 2 1 . . . . 41 ARG C . 16329 1 315 . 1 1 38 38 ARG CA C 13 60.559 0.055 6 1 . . . . 41 ARG CA . 16329 1 316 . 1 1 38 38 ARG CB C 13 30.225 0.031 9 1 . . . . 41 ARG CB . 16329 1 317 . 1 1 38 38 ARG CD C 13 44.173 0 1 1 . . . . 41 ARG CD . 16329 1 318 . 1 1 38 38 ARG CG C 13 27.101 0 1 1 . . . . 41 ARG CG . 16329 1 319 . 1 1 38 38 ARG N N 15 119.091 0.039 19 1 . . . . 41 ARG N . 16329 1 320 . 1 1 39 39 LYS H H 1 7.175 0.008 21 1 . . . . 42 LYS H . 16329 1 321 . 1 1 39 39 LYS HA H 1 4.038 0.006 17 1 . . . . 42 LYS HA . 16329 1 322 . 1 1 39 39 LYS HB2 H 1 1.844 0.008 16 2 . . . . 42 LYS HB2 . 16329 1 323 . 1 1 39 39 LYS HB3 H 1 1.652 0.005 16 2 . . . . 42 LYS HB3 . 16329 1 324 . 1 1 39 39 LYS HD2 H 1 1.618 0.004 14 2 . . . . 42 LYS HD2 . 16329 1 325 . 1 1 39 39 LYS HD3 H 1 1.490 0.009 13 2 . . . . 42 LYS HD3 . 16329 1 326 . 1 1 39 39 LYS HE2 H 1 2.940 0.003 14 2 . . . . 42 LYS HE2 . 16329 1 327 . 1 1 39 39 LYS HG2 H 1 1.367 0.006 15 2 . . . . 42 LYS HG2 . 16329 1 328 . 1 1 39 39 LYS C C 13 177.468 0.021 3 1 . . . . 42 LYS C . 16329 1 329 . 1 1 39 39 LYS CA C 13 58.827 0.01 10 1 . . . . 42 LYS CA . 16329 1 330 . 1 1 39 39 LYS CB C 13 32.964 0.042 17 1 . . . . 42 LYS CB . 16329 1 331 . 1 1 39 39 LYS CD C 13 28.987 0 14 1 . . . . 42 LYS CD . 16329 1 332 . 1 1 39 39 LYS CE C 13 42.509 0 7 1 . . . . 42 LYS CE . 16329 1 333 . 1 1 39 39 LYS CG C 13 24.177 0 6 1 . . . . 42 LYS CG . 16329 1 334 . 1 1 39 39 LYS N N 15 116.804 0.021 17 1 . . . . 42 LYS N . 16329 1 335 . 1 1 40 40 ASN H H 1 7.840 0.005 22 1 . . . . 43 ASN H . 16329 1 336 . 1 1 40 40 ASN HA H 1 4.449 0.006 7 1 . . . . 43 ASN HA . 16329 1 337 . 1 1 40 40 ASN HB2 H 1 2.761 0.007 7 2 . . . . 43 ASN HB2 . 16329 1 338 . 1 1 40 40 ASN HB3 H 1 2.090 0.008 7 2 . . . . 43 ASN HB3 . 16329 1 339 . 1 1 40 40 ASN C C 13 175.978 0.021 2 1 . . . . 43 ASN C . 16329 1 340 . 1 1 40 40 ASN CA C 13 55.084 0.034 6 1 . . . . 43 ASN CA . 16329 1 341 . 1 1 40 40 ASN CB C 13 40.605 0.011 9 1 . . . . 43 ASN CB . 16329 1 342 . 1 1 40 40 ASN N N 15 111.293 0.061 20 1 . . . . 43 ASN N . 16329 1 343 . 1 1 41 41 TYR H H 1 7.945 0.006 17 1 . . . . 44 TYR H . 16329 1 344 . 1 1 41 41 TYR HA H 1 5.147 0.015 8 1 . . . . 44 TYR HA . 16329 1 345 . 1 1 41 41 TYR HB2 H 1 3.140 0.002 8 2 . . . . 44 TYR HB2 . 16329 1 346 . 1 1 41 41 TYR HB3 H 1 2.774 0.003 8 2 . . . . 44 TYR HB3 . 16329 1 347 . 1 1 41 41 TYR C C 13 175.226 0.03 3 1 . . . . 44 TYR C . 16329 1 348 . 1 1 41 41 TYR CA C 13 61.077 0.046 6 1 . . . . 44 TYR CA . 16329 1 349 . 1 1 41 41 TYR CB C 13 42.100 0.034 9 1 . . . . 44 TYR CB . 16329 1 350 . 1 1 41 41 TYR N N 15 115.379 0.09 16 1 . . . . 44 TYR N . 16329 1 351 . 1 1 42 42 ILE H H 1 8.011 0.006 24 1 . . . . 45 ILE H . 16329 1 352 . 1 1 42 42 ILE HA H 1 4.318 0.008 13 1 . . . . 45 ILE HA . 16329 1 353 . 1 1 42 42 ILE HB H 1 1.734 0.011 14 1 . . . . 45 ILE HB . 16329 1 354 . 1 1 42 42 ILE HD11 H 1 0.451 0.007 13 1 . . . . 45 ILE HD1 . 16329 1 355 . 1 1 42 42 ILE HD12 H 1 0.451 0.007 13 1 . . . . 45 ILE HD1 . 16329 1 356 . 1 1 42 42 ILE HD13 H 1 0.451 0.007 13 1 . . . . 45 ILE HD1 . 16329 1 357 . 1 1 42 42 ILE HG12 H 1 1.567 0.006 14 2 . . . . 45 ILE HG12 . 16329 1 358 . 1 1 42 42 ILE HG13 H 1 0.711 0.009 12 2 . . . . 45 ILE HG13 . 16329 1 359 . 1 1 42 42 ILE HG21 H 1 1.046 0.007 14 1 . . . . 45 ILE HG2 . 16329 1 360 . 1 1 42 42 ILE HG22 H 1 1.046 0.007 14 1 . . . . 45 ILE HG2 . 16329 1 361 . 1 1 42 42 ILE HG23 H 1 1.046 0.007 14 1 . . . . 45 ILE HG2 . 16329 1 362 . 1 1 42 42 ILE C C 13 179.972 0.054 3 1 . . . . 45 ILE C . 16329 1 363 . 1 1 42 42 ILE CA C 13 64.837 0.012 9 1 . . . . 45 ILE CA . 16329 1 364 . 1 1 42 42 ILE CB C 13 39.800 0.013 9 1 . . . . 45 ILE CB . 16329 1 365 . 1 1 42 42 ILE CD1 C 13 14.263 0 5 1 . . . . 45 ILE CD1 . 16329 1 366 . 1 1 42 42 ILE CG1 C 13 28.099 0 11 1 . . . . 45 ILE CG1 . 16329 1 367 . 1 1 42 42 ILE CG2 C 13 17.929 0 6 1 . . . . 45 ILE CG2 . 16329 1 368 . 1 1 42 42 ILE N N 15 117.813 0.024 22 1 . . . . 45 ILE N . 16329 1 369 . 1 1 43 43 ASP H H 1 9.401 0.005 25 1 . . . . 46 ASP H . 16329 1 370 . 1 1 43 43 ASP HA H 1 4.388 0.016 6 1 . . . . 46 ASP HA . 16329 1 371 . 1 1 43 43 ASP HB2 H 1 2.623 0.006 6 2 . . . . 46 ASP HB2 . 16329 1 372 . 1 1 43 43 ASP C C 13 176.373 0.052 2 1 . . . . 46 ASP C . 16329 1 373 . 1 1 43 43 ASP CA C 13 57.221 0.022 5 1 . . . . 46 ASP CA . 16329 1 374 . 1 1 43 43 ASP CB C 13 39.936 0.071 5 1 . . . . 46 ASP CB . 16329 1 375 . 1 1 43 43 ASP N N 15 122.858 0.03 22 1 . . . . 46 ASP N . 16329 1 376 . 1 1 44 44 ASN H H 1 7.622 0.007 18 1 . . . . 47 ASN H . 16329 1 377 . 1 1 44 44 ASN HA H 1 4.564 0.011 6 1 . . . . 47 ASN HA . 16329 1 378 . 1 1 44 44 ASN HB2 H 1 2.946 0.12 6 2 . . . . 47 ASN HB2 . 16329 1 379 . 1 1 44 44 ASN HB3 H 1 2.678 0.004 4 2 . . . . 47 ASN HB3 . 16329 1 380 . 1 1 44 44 ASN C C 13 175.348 0 1 1 . . . . 47 ASN C . 16329 1 381 . 1 1 44 44 ASN CA C 13 51.920 0.042 6 1 . . . . 47 ASN CA . 16329 1 382 . 1 1 44 44 ASN CB C 13 36.945 0.112 7 1 . . . . 47 ASN CB . 16329 1 383 . 1 1 44 44 ASN N N 15 112.790 0.036 16 1 . . . . 47 ASN N . 16329 1 384 . 1 1 45 45 HIS H H 1 7.835 0.011 16 1 . . . . 48 HIS H . 16329 1 385 . 1 1 45 45 HIS HA H 1 4.438 0.006 5 1 . . . . 48 HIS HA . 16329 1 386 . 1 1 45 45 HIS HB2 H 1 3.404 0.006 5 2 . . . . 48 HIS HB2 . 16329 1 387 . 1 1 45 45 HIS C C 13 174.778 0.001 2 1 . . . . 48 HIS C . 16329 1 388 . 1 1 45 45 HIS CA C 13 57.063 0.075 5 1 . . . . 48 HIS CA . 16329 1 389 . 1 1 45 45 HIS CB C 13 27.295 0.57 4 1 . . . . 48 HIS CB . 16329 1 390 . 1 1 45 45 HIS N N 15 111.460 0.072 13 1 . . . . 48 HIS N . 16329 1 391 . 1 1 46 46 LYS H H 1 8.055 0.007 17 1 . . . . 49 LYS H . 16329 1 392 . 1 1 46 46 LYS HA H 1 4.419 0.009 12 1 . . . . 49 LYS HA . 16329 1 393 . 1 1 46 46 LYS HB2 H 1 2.401 0.004 11 2 . . . . 49 LYS HB2 . 16329 1 394 . 1 1 46 46 LYS HD2 H 1 1.787 0 1 2 . . . . 49 LYS HD1 . 16329 1 395 . 1 1 46 46 LYS HD3 H 1 1.787 0.009 10 2 . . . . 49 LYS HD2 . 16329 1 396 . 1 1 46 46 LYS HE2 H 1 2.999 0.004 10 2 . . . . 49 LYS HE2 . 16329 1 397 . 1 1 46 46 LYS HG2 H 1 1.475 0.01 12 2 . . . . 49 LYS HG2 . 16329 1 398 . 1 1 46 46 LYS C C 13 176.892 0.041 2 1 . . . . 49 LYS C . 16329 1 399 . 1 1 46 46 LYS CA C 13 58.975 0.039 8 1 . . . . 49 LYS CA . 16329 1 400 . 1 1 46 46 LYS CB C 13 34.524 0.047 8 1 . . . . 49 LYS CB . 16329 1 401 . 1 1 46 46 LYS CD C 13 29.497 0 5 1 . . . . 49 LYS CD . 16329 1 402 . 1 1 46 46 LYS CE C 13 42.515 0 5 1 . . . . 49 LYS CE . 16329 1 403 . 1 1 46 46 LYS CG C 13 26.322 0 5 1 . . . . 49 LYS CG . 16329 1 404 . 1 1 46 46 LYS N N 15 117.152 0.108 15 1 . . . . 49 LYS N . 16329 1 405 . 1 1 47 47 VAL H H 1 7.667 0.007 23 1 . . . . 50 VAL H . 16329 1 406 . 1 1 47 47 VAL HA H 1 4.790 0.011 9 1 . . . . 50 VAL HA . 16329 1 407 . 1 1 47 47 VAL HB H 1 2.267 0.004 9 1 . . . . 50 VAL HB . 16329 1 408 . 1 1 47 47 VAL HG11 H 1 0.863 0.005 8 2 . . . . 50 VAL HG1 . 16329 1 409 . 1 1 47 47 VAL HG12 H 1 0.863 0.005 8 2 . . . . 50 VAL HG1 . 16329 1 410 . 1 1 47 47 VAL HG13 H 1 0.863 0.005 8 2 . . . . 50 VAL HG1 . 16329 1 411 . 1 1 47 47 VAL HG21 H 1 0.674 0.097 14 2 . . . . 50 VAL HG2 . 16329 1 412 . 1 1 47 47 VAL HG22 H 1 0.674 0.097 14 2 . . . . 50 VAL HG2 . 16329 1 413 . 1 1 47 47 VAL HG23 H 1 0.674 0.097 14 2 . . . . 50 VAL HG2 . 16329 1 414 . 1 1 47 47 VAL C C 13 174.447 0.023 2 1 . . . . 50 VAL C . 16329 1 415 . 1 1 47 47 VAL CA C 13 58.194 0.033 7 1 . . . . 50 VAL CA . 16329 1 416 . 1 1 47 47 VAL CB C 13 35.244 0.092 7 1 . . . . 50 VAL CB . 16329 1 417 . 1 1 47 47 VAL CG1 C 13 22.611 0 4 2 . . . . 50 VAL CG1 . 16329 1 418 . 1 1 47 47 VAL CG2 C 13 20.306 0 4 2 . . . . 50 VAL CG2 . 16329 1 419 . 1 1 47 47 VAL N N 15 107.915 0.042 21 1 . . . . 50 VAL N . 16329 1 420 . 1 1 48 48 GLU H H 1 8.876 0.006 17 1 . . . . 51 GLU H . 16329 1 421 . 1 1 48 48 GLU HA H 1 4.713 0.016 13 1 . . . . 51 GLU HA . 16329 1 422 . 1 1 48 48 GLU HB2 H 1 2.040 0.002 10 2 . . . . 51 GLU HB2 . 16329 1 423 . 1 1 48 48 GLU HB3 H 1 1.858 0.004 11 2 . . . . 51 GLU HB3 . 16329 1 424 . 1 1 48 48 GLU HG2 H 1 2.271 0.005 12 2 . . . . 51 GLU HG2 . 16329 1 425 . 1 1 48 48 GLU HG3 H 1 2.155 0.007 10 2 . . . . 51 GLU HG3 . 16329 1 426 . 1 1 48 48 GLU C C 13 174.007 0.086 2 1 . . . . 51 GLU C . 16329 1 427 . 1 1 48 48 GLU CA C 13 55.293 0.02 7 1 . . . . 51 GLU CA . 16329 1 428 . 1 1 48 48 GLU CB C 13 32.104 0.021 13 1 . . . . 51 GLU CB . 16329 1 429 . 1 1 48 48 GLU CG C 13 36.668 0 10 1 . . . . 51 GLU CG . 16329 1 430 . 1 1 48 48 GLU N N 15 121.671 0.036 16 1 . . . . 51 GLU N . 16329 1 431 . 1 1 49 49 TYR H H 1 8.696 0.005 17 1 . . . . 52 TYR H . 16329 1 432 . 1 1 49 49 TYR HA H 1 5.772 0.009 9 1 . . . . 52 TYR HA . 16329 1 433 . 1 1 49 49 TYR HB2 H 1 2.814 0.008 6 2 . . . . 52 TYR HB2 . 16329 1 434 . 1 1 49 49 TYR HD1 H 1 7.021 0.033 2 3 . . . . 52 TYR HD1 . 16329 1 435 . 1 1 49 49 TYR HE1 H 1 6.796 0 1 3 . . . . 52 TYR HE1 . 16329 1 436 . 1 1 49 49 TYR C C 13 173.972 0.074 3 1 . . . . 52 TYR C . 16329 1 437 . 1 1 49 49 TYR CA C 13 55.337 0.023 7 1 . . . . 52 TYR CA . 16329 1 438 . 1 1 49 49 TYR CB C 13 42.605 0.006 5 1 . . . . 52 TYR CB . 16329 1 439 . 1 1 49 49 TYR N N 15 125.089 0.05 16 1 . . . . 52 TYR N . 16329 1 440 . 1 1 50 50 GLN H H 1 8.836 0.006 21 1 . . . . 53 GLN H . 16329 1 441 . 1 1 50 50 GLN HA H 1 4.240 0.004 8 1 . . . . 53 GLN HA . 16329 1 442 . 1 1 50 50 GLN HB2 H 1 2.207 0.008 8 2 . . . . 53 GLN HB2 . 16329 1 443 . 1 1 50 50 GLN HB3 H 1 1.704 0.008 7 2 . . . . 53 GLN HB3 . 16329 1 444 . 1 1 50 50 GLN HG2 H 1 1.692 0 1 2 . . . . 53 GLN HG2 . 16329 1 445 . 1 1 50 50 GLN HG3 H 1 1.703 0.01 3 2 . . . . 53 GLN HG3 . 16329 1 446 . 1 1 50 50 GLN C C 13 171.478 0.011 3 1 . . . . 53 GLN C . 16329 1 447 . 1 1 50 50 GLN CA C 13 54.212 0.04 6 1 . . . . 53 GLN CA . 16329 1 448 . 1 1 50 50 GLN CB C 13 32.631 0.421 8 1 . . . . 53 GLN CB . 16329 1 449 . 1 1 50 50 GLN CG C 13 34.736 0 3 1 . . . . 53 GLN CG . 16329 1 450 . 1 1 50 50 GLN N N 15 130.663 0.032 18 1 . . . . 53 GLN N . 16329 1 451 . 1 1 51 51 PHE H H 1 8.360 0.005 21 1 . . . . 54 PHE H . 16329 1 452 . 1 1 51 51 PHE HA H 1 5.377 0.006 9 1 . . . . 54 PHE HA . 16329 1 453 . 1 1 51 51 PHE HB2 H 1 3.179 0.003 6 2 . . . . 54 PHE HB2 . 16329 1 454 . 1 1 51 51 PHE HB3 H 1 2.944 0.033 6 2 . . . . 54 PHE HB3 . 16329 1 455 . 1 1 51 51 PHE HD1 H 1 7.221 0 1 3 . . . . 54 PHE HD1 . 16329 1 456 . 1 1 51 51 PHE C C 13 175.238 0.017 2 1 . . . . 54 PHE C . 16329 1 457 . 1 1 51 51 PHE CA C 13 54.944 0.068 6 1 . . . . 54 PHE CA . 16329 1 458 . 1 1 51 51 PHE CB C 13 40.727 0.027 7 1 . . . . 54 PHE CB . 16329 1 459 . 1 1 51 51 PHE N N 15 126.291 0.038 20 1 . . . . 54 PHE N . 16329 1 460 . 1 1 52 52 VAL H H 1 8.748 0.006 20 1 . . . . 55 VAL H . 16329 1 461 . 1 1 52 52 VAL HA H 1 3.824 0.005 10 1 . . . . 55 VAL HA . 16329 1 462 . 1 1 52 52 VAL HB H 1 1.148 0.012 11 1 . . . . 55 VAL HB . 16329 1 463 . 1 1 52 52 VAL HG11 H 1 0.679 0.008 10 2 . . . . 55 VAL HG1 . 16329 1 464 . 1 1 52 52 VAL HG12 H 1 0.679 0.008 10 2 . . . . 55 VAL HG1 . 16329 1 465 . 1 1 52 52 VAL HG13 H 1 0.679 0.008 10 2 . . . . 55 VAL HG1 . 16329 1 466 . 1 1 52 52 VAL HG21 H 1 0.235 0.006 10 2 . . . . 55 VAL HG2 . 16329 1 467 . 1 1 52 52 VAL HG22 H 1 0.235 0.006 10 2 . . . . 55 VAL HG2 . 16329 1 468 . 1 1 52 52 VAL HG23 H 1 0.235 0.006 10 2 . . . . 55 VAL HG2 . 16329 1 469 . 1 1 52 52 VAL C C 13 172.580 0.017 2 1 . . . . 55 VAL C . 16329 1 470 . 1 1 52 52 VAL CA C 13 61.264 0.08 7 1 . . . . 55 VAL CA . 16329 1 471 . 1 1 52 52 VAL CB C 13 32.646 0.076 7 1 . . . . 55 VAL CB . 16329 1 472 . 1 1 52 52 VAL CG1 C 13 22.515 0 4 2 . . . . 55 VAL CG1 . 16329 1 473 . 1 1 52 52 VAL CG2 C 13 19.705 0 4 2 . . . . 55 VAL CG2 . 16329 1 474 . 1 1 52 52 VAL N N 15 132.361 0.04 17 1 . . . . 55 VAL N . 16329 1 475 . 1 1 53 53 ASN H H 1 9.035 0.011 22 1 . . . . 56 ASN H . 16329 1 476 . 1 1 53 53 ASN HA H 1 4.739 0.023 8 1 . . . . 56 ASN HA . 16329 1 477 . 1 1 53 53 ASN HB2 H 1 2.644 0.024 7 2 . . . . 56 ASN HB2 . 16329 1 478 . 1 1 53 53 ASN HB3 H 1 3.493 0 1 2 . . . . 56 ASN HB3 . 16329 1 479 . 1 1 53 53 ASN HD21 H 1 7.382 0 1 1 . . . . 56 ASN HD21 . 16329 1 480 . 1 1 53 53 ASN C C 13 175.730 0 1 1 . . . . 56 ASN C . 16329 1 481 . 1 1 53 53 ASN CA C 13 50.575 0.025 5 1 . . . . 56 ASN CA . 16329 1 482 . 1 1 53 53 ASN CB C 13 40.033 0.052 5 1 . . . . 56 ASN CB . 16329 1 483 . 1 1 53 53 ASN N N 15 127.299 0.057 20 1 . . . . 56 ASN N . 16329 1 484 . 1 1 53 53 ASN ND2 N 15 108.758 0 1 1 . . . . 56 ASN ND2 . 16329 1 485 . 1 1 54 54 LEU H H 1 8.704 0.005 23 1 . . . . 57 LEU H . 16329 1 486 . 1 1 54 54 LEU HA H 1 3.721 0.011 15 1 . . . . 57 LEU HA . 16329 1 487 . 1 1 54 54 LEU HB2 H 1 1.744 0.006 15 2 . . . . 57 LEU HB2 . 16329 1 488 . 1 1 54 54 LEU HB3 H 1 1.160 0.015 15 2 . . . . 57 LEU HB3 . 16329 1 489 . 1 1 54 54 LEU HD11 H 1 0.888 0.007 15 2 . . . . 57 LEU HD1 . 16329 1 490 . 1 1 54 54 LEU HD12 H 1 0.888 0.007 15 2 . . . . 57 LEU HD1 . 16329 1 491 . 1 1 54 54 LEU HD13 H 1 0.888 0.007 15 2 . . . . 57 LEU HD1 . 16329 1 492 . 1 1 54 54 LEU HD21 H 1 0.369 0.006 14 2 . . . . 57 LEU HD2 . 16329 1 493 . 1 1 54 54 LEU HD22 H 1 0.369 0.006 14 2 . . . . 57 LEU HD2 . 16329 1 494 . 1 1 54 54 LEU HD23 H 1 0.369 0.006 14 2 . . . . 57 LEU HD2 . 16329 1 495 . 1 1 54 54 LEU HG H 1 1.446 0.015 14 1 . . . . 57 LEU HG . 16329 1 496 . 1 1 54 54 LEU C C 13 177.107 0.053 2 1 . . . . 57 LEU C . 16329 1 497 . 1 1 54 54 LEU CA C 13 59.804 0.003 9 1 . . . . 57 LEU CA . 16329 1 498 . 1 1 54 54 LEU CB C 13 44.479 0.041 15 1 . . . . 57 LEU CB . 16329 1 499 . 1 1 54 54 LEU CD1 C 13 25.744 0.012 12 2 . . . . 57 LEU CD1 . 16329 1 500 . 1 1 54 54 LEU CG C 13 32.719 0 6 1 . . . . 57 LEU CG . 16329 1 501 . 1 1 54 54 LEU N N 15 127.208 0.014 20 1 . . . . 57 LEU N . 16329 1 502 . 1 1 55 55 ALA H H 1 9.084 0.006 24 1 . . . . 58 ALA H . 16329 1 503 . 1 1 55 55 ALA HA H 1 4.178 0.006 6 1 . . . . 58 ALA HA . 16329 1 504 . 1 1 55 55 ALA HB1 H 1 1.120 0.006 4 1 . . . . 58 ALA HB . 16329 1 505 . 1 1 55 55 ALA HB2 H 1 1.120 0.006 4 1 . . . . 58 ALA HB . 16329 1 506 . 1 1 55 55 ALA HB3 H 1 1.120 0.006 4 1 . . . . 58 ALA HB . 16329 1 507 . 1 1 55 55 ALA C C 13 176.891 0.077 2 1 . . . . 58 ALA C . 16329 1 508 . 1 1 55 55 ALA CA C 13 52.862 0.022 5 1 . . . . 58 ALA CA . 16329 1 509 . 1 1 55 55 ALA CB C 13 17.556 0.071 5 1 . . . . 58 ALA CB . 16329 1 510 . 1 1 55 55 ALA N N 15 119.827 0.04 21 1 . . . . 58 ALA N . 16329 1 511 . 1 1 56 56 PHE H H 1 8.605 0.005 29 1 . . . . 59 PHE H . 16329 1 512 . 1 1 56 56 PHE HA H 1 5.219 0.012 8 1 . . . . 59 PHE HA . 16329 1 513 . 1 1 56 56 PHE HB2 H 1 3.407 0.005 7 2 . . . . 59 PHE HB2 . 16329 1 514 . 1 1 56 56 PHE HB3 H 1 2.828 0.005 7 2 . . . . 59 PHE HB3 . 16329 1 515 . 1 1 56 56 PHE HD1 H 1 7.218 0 1 3 . . . . 59 PHE HD1 . 16329 1 516 . 1 1 56 56 PHE HD2 H 1 7.126 0.004 2 3 . . . . 59 PHE HD2 . 16329 1 517 . 1 1 56 56 PHE HE2 H 1 7.309 0.03 2 3 . . . . 59 PHE HE2 . 16329 1 518 . 1 1 56 56 PHE C C 13 176.442 0.028 2 1 . . . . 59 PHE C . 16329 1 519 . 1 1 56 56 PHE CA C 13 56.354 0.061 6 1 . . . . 59 PHE CA . 16329 1 520 . 1 1 56 56 PHE CB C 13 41.105 0.013 9 1 . . . . 59 PHE CB . 16329 1 521 . 1 1 56 56 PHE N N 15 116.136 0.043 26 1 . . . . 59 PHE N . 16329 1 522 . 1 1 57 57 LEU H H 1 7.595 0.005 21 1 . . . . 60 LEU H . 16329 1 523 . 1 1 57 57 LEU HA H 1 4.216 0.013 14 1 . . . . 60 LEU HA . 16329 1 524 . 1 1 57 57 LEU HB2 H 1 1.490 0.006 13 2 . . . . 60 LEU HB2 . 16329 1 525 . 1 1 57 57 LEU HB3 H 1 1.373 0.008 13 2 . . . . 60 LEU HB3 . 16329 1 526 . 1 1 57 57 LEU HD11 H 1 0.642 0.005 16 2 . . . . 60 LEU HD1 . 16329 1 527 . 1 1 57 57 LEU HD12 H 1 0.642 0.005 16 2 . . . . 60 LEU HD1 . 16329 1 528 . 1 1 57 57 LEU HD13 H 1 0.642 0.005 16 2 . . . . 60 LEU HD1 . 16329 1 529 . 1 1 57 57 LEU HD21 H 1 0.445 0.012 15 2 . . . . 60 LEU HD2 . 16329 1 530 . 1 1 57 57 LEU HD22 H 1 0.445 0.012 15 2 . . . . 60 LEU HD2 . 16329 1 531 . 1 1 57 57 LEU HD23 H 1 0.445 0.012 15 2 . . . . 60 LEU HD2 . 16329 1 532 . 1 1 57 57 LEU HG H 1 0.548 0.007 14 1 . . . . 60 LEU HG . 16329 1 533 . 1 1 57 57 LEU C C 13 175.790 0.009 2 1 . . . . 60 LEU C . 16329 1 534 . 1 1 57 57 LEU CA C 13 55.128 0.047 9 1 . . . . 60 LEU CA . 16329 1 535 . 1 1 57 57 LEU CB C 13 41.514 0.034 14 1 . . . . 60 LEU CB . 16329 1 536 . 1 1 57 57 LEU CD1 C 13 26.179 0 6 2 . . . . 60 LEU CD1 . 16329 1 537 . 1 1 57 57 LEU CD2 C 13 25.444 0 6 2 . . . . 60 LEU CD2 . 16329 1 538 . 1 1 57 57 LEU CG C 13 23.259 0 6 1 . . . . 60 LEU CG . 16329 1 539 . 1 1 57 57 LEU N N 15 125.753 0.028 19 1 . . . . 60 LEU N . 16329 1 540 . 1 1 58 58 GLY H H 1 7.503 0.004 18 1 . . . . 61 GLY H . 16329 1 541 . 1 1 58 58 GLY HA2 H 1 4.307 0.028 5 2 . . . . 61 GLY HA2 . 16329 1 542 . 1 1 58 58 GLY HA3 H 1 4.056 0.004 5 2 . . . . 61 GLY HA3 . 16329 1 543 . 1 1 58 58 GLY C C 13 175.749 0 1 1 . . . . 61 GLY C . 16329 1 544 . 1 1 58 58 GLY CA C 13 44.211 0.09 5 1 . . . . 61 GLY CA . 16329 1 545 . 1 1 58 58 GLY N N 15 105.922 0.041 17 1 . . . . 61 GLY N . 16329 1 546 . 1 1 59 59 LYS HA H 1 4.087 0.006 9 1 . . . . 62 LYS HA . 16329 1 547 . 1 1 59 59 LYS HB2 H 1 1.847 0.007 6 2 . . . . 62 LYS HB2 . 16329 1 548 . 1 1 59 59 LYS HD2 H 1 1.838 0.011 4 2 . . . . 62 LYS HD2 . 16329 1 549 . 1 1 59 59 LYS HE2 H 1 3.053 0.004 7 2 . . . . 62 LYS HE2 . 16329 1 550 . 1 1 59 59 LYS HG2 H 1 1.507 0.003 4 2 . . . . 62 LYS HG2 . 16329 1 551 . 1 1 59 59 LYS C C 13 176.638 0.064 2 1 . . . . 62 LYS C . 16329 1 552 . 1 1 59 59 LYS CA C 13 59.222 0.034 4 1 . . . . 62 LYS CA . 16329 1 553 . 1 1 59 59 LYS CB C 13 32.449 0.03 5 1 . . . . 62 LYS CB . 16329 1 554 . 1 1 59 59 LYS CD C 13 29.286 0 3 1 . . . . 62 LYS CD . 16329 1 555 . 1 1 59 59 LYS CE C 13 42.108 0 2 1 . . . . 62 LYS CE . 16329 1 556 . 1 1 59 59 LYS CG C 13 24.604 0 3 1 . . . . 62 LYS CG . 16329 1 557 . 1 1 60 60 ASP H H 1 10.084 0.005 21 1 . . . . 63 ASP H . 16329 1 558 . 1 1 60 60 ASP HA H 1 4.298 0.004 9 1 . . . . 63 ASP HA . 16329 1 559 . 1 1 60 60 ASP HB2 H 1 2.953 0.013 8 2 . . . . 63 ASP HB2 . 16329 1 560 . 1 1 60 60 ASP HB3 H 1 2.293 0.013 8 2 . . . . 63 ASP HB3 . 16329 1 561 . 1 1 60 60 ASP C C 13 177.740 0.002 2 1 . . . . 63 ASP C . 16329 1 562 . 1 1 60 60 ASP CA C 13 54.318 0.018 6 1 . . . . 63 ASP CA . 16329 1 563 . 1 1 60 60 ASP CB C 13 38.753 0.069 9 1 . . . . 63 ASP CB . 16329 1 564 . 1 1 60 60 ASP N N 15 114.729 0.027 19 1 . . . . 63 ASP N . 16329 1 565 . 1 1 61 61 SER H H 1 7.352 0.006 22 1 . . . . 64 SER H . 16329 1 566 . 1 1 61 61 SER HA H 1 3.846 0.006 2 1 . . . . 64 SER HA . 16329 1 567 . 1 1 61 61 SER HB2 H 1 3.829 0.001 2 2 . . . . 64 SER HB2 . 16329 1 568 . 1 1 61 61 SER HB3 H 1 3.739 0.003 2 2 . . . . 64 SER HB3 . 16329 1 569 . 1 1 61 61 SER C C 13 178.103 0 1 1 . . . . 64 SER C . 16329 1 570 . 1 1 61 61 SER CA C 13 63.772 0.019 4 1 . . . . 64 SER CA . 16329 1 571 . 1 1 61 61 SER CB C 13 62.417 0.078 3 1 . . . . 64 SER CB . 16329 1 572 . 1 1 61 61 SER N N 15 117.760 0.045 19 1 . . . . 64 SER N . 16329 1 573 . 1 1 62 62 ILE H H 1 7.830 0.009 15 1 . . . . 65 ILE H . 16329 1 574 . 1 1 62 62 ILE HA H 1 4.031 0.004 11 1 . . . . 65 ILE HA . 16329 1 575 . 1 1 62 62 ILE HB H 1 1.904 0.007 12 1 . . . . 65 ILE HB . 16329 1 576 . 1 1 62 62 ILE HD11 H 1 0.842 0.004 5 1 . . . . 65 ILE HD1 . 16329 1 577 . 1 1 62 62 ILE HD12 H 1 0.842 0.004 5 1 . . . . 65 ILE HD1 . 16329 1 578 . 1 1 62 62 ILE HD13 H 1 0.842 0.004 5 1 . . . . 65 ILE HD1 . 16329 1 579 . 1 1 62 62 ILE HG12 H 1 1.272 0.002 11 2 . . . . 65 ILE HG12 . 16329 1 580 . 1 1 62 62 ILE HG13 H 1 1.222 0.005 11 2 . . . . 65 ILE HG13 . 16329 1 581 . 1 1 62 62 ILE HG21 H 1 0.833 0.007 10 1 . . . . 65 ILE HG2 . 16329 1 582 . 1 1 62 62 ILE HG22 H 1 0.833 0.007 10 1 . . . . 65 ILE HG2 . 16329 1 583 . 1 1 62 62 ILE HG23 H 1 0.833 0.007 10 1 . . . . 65 ILE HG2 . 16329 1 584 . 1 1 62 62 ILE C C 13 175.054 0.049 3 1 . . . . 65 ILE C . 16329 1 585 . 1 1 62 62 ILE CA C 13 60.987 0.024 8 1 . . . . 65 ILE CA . 16329 1 586 . 1 1 62 62 ILE CB C 13 38.516 0.017 7 1 . . . . 65 ILE CB . 16329 1 587 . 1 1 62 62 ILE CD1 C 13 14.613 0 4 1 . . . . 65 ILE CD1 . 16329 1 588 . 1 1 62 62 ILE CG1 C 13 28.894 0.008 10 1 . . . . 65 ILE CG1 . 16329 1 589 . 1 1 62 62 ILE CG2 C 13 18.313 0 5 1 . . . . 65 ILE CG2 . 16329 1 590 . 1 1 62 62 ILE N N 15 118.957 0.113 12 1 . . . . 65 ILE N . 16329 1 591 . 1 1 63 63 VAL H H 1 6.913 0.006 20 1 . . . . 66 VAL H . 16329 1 592 . 1 1 63 63 VAL HA H 1 3.529 0.005 8 1 . . . . 66 VAL HA . 16329 1 593 . 1 1 63 63 VAL HB H 1 2.307 0.007 9 1 . . . . 66 VAL HB . 16329 1 594 . 1 1 63 63 VAL HG11 H 1 1.020 0.003 10 2 . . . . 66 VAL HG1 . 16329 1 595 . 1 1 63 63 VAL HG12 H 1 1.020 0.003 10 2 . . . . 66 VAL HG1 . 16329 1 596 . 1 1 63 63 VAL HG13 H 1 1.020 0.003 10 2 . . . . 66 VAL HG1 . 16329 1 597 . 1 1 63 63 VAL C C 13 178.325 0.009 2 1 . . . . 66 VAL C . 16329 1 598 . 1 1 63 63 VAL CA C 13 66.898 0.007 6 1 . . . . 66 VAL CA . 16329 1 599 . 1 1 63 63 VAL CB C 13 30.931 0.067 5 1 . . . . 66 VAL CB . 16329 1 600 . 1 1 63 63 VAL CG1 C 13 21.696 0 3 2 . . . . 66 VAL CG1 . 16329 1 601 . 1 1 63 63 VAL CG2 C 13 20.934 0 3 2 . . . . 66 VAL CG2 . 16329 1 602 . 1 1 63 63 VAL N N 15 125.564 0.067 18 1 . . . . 66 VAL N . 16329 1 603 . 1 1 64 64 GLY H H 1 7.311 0.007 17 1 . . . . 67 GLY H . 16329 1 604 . 1 1 64 64 GLY HA2 H 1 3.692 0.006 5 2 . . . . 67 GLY HA2 . 16329 1 605 . 1 1 64 64 GLY HA3 H 1 3.428 0.008 6 2 . . . . 67 GLY HA3 . 16329 1 606 . 1 1 64 64 GLY C C 13 174.370 0.044 3 1 . . . . 67 GLY C . 16329 1 607 . 1 1 64 64 GLY CA C 13 47.673 0.013 7 1 . . . . 67 GLY CA . 16329 1 608 . 1 1 64 64 GLY N N 15 101.355 0.037 14 1 . . . . 67 GLY N . 16329 1 609 . 1 1 65 65 SER H H 1 7.819 0.006 17 1 . . . . 68 SER H . 16329 1 610 . 1 1 65 65 SER HA H 1 4.645 0.011 2 1 . . . . 68 SER HA . 16329 1 611 . 1 1 65 65 SER HB2 H 1 3.789 0.156 3 2 . . . . 68 SER HB2 . 16329 1 612 . 1 1 65 65 SER C C 13 177.651 0 1 1 . . . . 68 SER C . 16329 1 613 . 1 1 65 65 SER CA C 13 59.767 0.02 4 1 . . . . 68 SER CA . 16329 1 614 . 1 1 65 65 SER CB C 13 64.467 0.03 3 1 . . . . 68 SER CB . 16329 1 615 . 1 1 65 65 SER N N 15 113.236 0.07 14 1 . . . . 68 SER N . 16329 1 616 . 1 1 66 66 ARG H H 1 8.526 0.005 20 1 . . . . 69 ARG H . 16329 1 617 . 1 1 66 66 ARG HA H 1 3.851 0.004 10 1 . . . . 69 ARG HA . 16329 1 618 . 1 1 66 66 ARG HB2 H 1 1.673 0.004 10 2 . . . . 69 ARG HB2 . 16329 1 619 . 1 1 66 66 ARG HB3 H 1 1.316 0.003 10 2 . . . . 69 ARG HB3 . 16329 1 620 . 1 1 66 66 ARG HD2 H 1 2.726 0 1 2 . . . . 69 ARG HD1 . 16329 1 621 . 1 1 66 66 ARG HD3 H 1 2.733 0.005 10 2 . . . . 69 ARG HD2 . 16329 1 622 . 1 1 66 66 ARG HG2 H 1 1.433 0.008 10 2 . . . . 69 ARG HG2 . 16329 1 623 . 1 1 66 66 ARG C C 13 177.976 0.057 3 1 . . . . 69 ARG C . 16329 1 624 . 1 1 66 66 ARG CA C 13 60.509 0.021 8 1 . . . . 69 ARG CA . 16329 1 625 . 1 1 66 66 ARG CB C 13 31.863 0.102 13 1 . . . . 69 ARG CB . 16329 1 626 . 1 1 66 66 ARG CD C 13 41.609 0 5 1 . . . . 69 ARG CD . 16329 1 627 . 1 1 66 66 ARG CG C 13 29.243 0 5 1 . . . . 69 ARG CG . 16329 1 628 . 1 1 66 66 ARG N N 15 118.679 0.041 17 1 . . . . 69 ARG N . 16329 1 629 . 1 1 67 67 ALA H H 1 7.823 0.004 17 1 . . . . 70 ALA H . 16329 1 630 . 1 1 67 67 ALA HA H 1 3.521 0.004 7 1 . . . . 70 ALA HA . 16329 1 631 . 1 1 67 67 ALA HB1 H 1 0.689 0.005 6 1 . . . . 70 ALA HB . 16329 1 632 . 1 1 67 67 ALA HB2 H 1 0.689 0.005 6 1 . . . . 70 ALA HB . 16329 1 633 . 1 1 67 67 ALA HB3 H 1 0.689 0.005 6 1 . . . . 70 ALA HB . 16329 1 634 . 1 1 67 67 ALA C C 13 177.880 0.044 2 1 . . . . 70 ALA C . 16329 1 635 . 1 1 67 67 ALA CA C 13 55.941 0.061 5 1 . . . . 70 ALA CA . 16329 1 636 . 1 1 67 67 ALA CB C 13 18.200 0.123 5 1 . . . . 70 ALA CB . 16329 1 637 . 1 1 67 67 ALA N N 15 120.015 0.041 16 1 . . . . 70 ALA N . 16329 1 638 . 1 1 68 68 SER H H 1 7.924 0.01 17 1 . . . . 71 SER H . 16329 1 639 . 1 1 68 68 SER HA H 1 4.039 0.004 7 1 . . . . 71 SER HA . 16329 1 640 . 1 1 68 68 SER HB2 H 1 4.142 0.004 5 2 . . . . 71 SER HB2 . 16329 1 641 . 1 1 68 68 SER C C 13 176.697 0 1 1 . . . . 71 SER C . 16329 1 642 . 1 1 68 68 SER CA C 13 61.296 0.043 5 1 . . . . 71 SER CA . 16329 1 643 . 1 1 68 68 SER CB C 13 63.833 0.037 5 1 . . . . 71 SER CB . 16329 1 644 . 1 1 68 68 SER N N 15 109.625 0.049 13 1 . . . . 71 SER N . 16329 1 645 . 1 1 69 69 HIS H H 1 8.869 0.008 24 1 . . . . 72 HIS H . 16329 1 646 . 1 1 69 69 HIS HA H 1 4.244 0.007 8 1 . . . . 72 HIS HA . 16329 1 647 . 1 1 69 69 HIS HB2 H 1 3.312 0.016 8 2 . . . . 72 HIS HB2 . 16329 1 648 . 1 1 69 69 HIS HB3 H 1 2.837 0.019 8 2 . . . . 72 HIS HB3 . 16329 1 649 . 1 1 69 69 HIS HD2 H 1 7.402 0.003 2 1 . . . . 72 HIS HD2 . 16329 1 650 . 1 1 69 69 HIS C C 13 178.019 0.052 3 1 . . . . 72 HIS C . 16329 1 651 . 1 1 69 69 HIS CA C 13 61.611 0.037 6 1 . . . . 72 HIS CA . 16329 1 652 . 1 1 69 69 HIS CB C 13 31.669 0.046 9 1 . . . . 72 HIS CB . 16329 1 653 . 1 1 69 69 HIS N N 15 117.919 0.034 21 1 . . . . 72 HIS N . 16329 1 654 . 1 1 70 70 ALA H H 1 8.601 0.01 24 1 . . . . 73 ALA H . 16329 1 655 . 1 1 70 70 ALA HA H 1 4.257 0.01 8 1 . . . . 73 ALA HA . 16329 1 656 . 1 1 70 70 ALA HB1 H 1 1.934 0.01 6 1 . . . . 73 ALA HB . 16329 1 657 . 1 1 70 70 ALA HB2 H 1 1.934 0.01 6 1 . . . . 73 ALA HB . 16329 1 658 . 1 1 70 70 ALA HB3 H 1 1.934 0.01 6 1 . . . . 73 ALA HB . 16329 1 659 . 1 1 70 70 ALA C C 13 178.923 0.01 2 1 . . . . 73 ALA C . 16329 1 660 . 1 1 70 70 ALA CA C 13 55.998 0.03 5 1 . . . . 73 ALA CA . 16329 1 661 . 1 1 70 70 ALA CB C 13 19.548 0.085 5 1 . . . . 73 ALA CB . 16329 1 662 . 1 1 70 70 ALA N N 15 123.968 0.028 20 1 . . . . 73 ALA N . 16329 1 663 . 1 1 71 71 VAL H H 1 8.133 0.005 22 1 . . . . 74 VAL H . 16329 1 664 . 1 1 71 71 VAL HA H 1 3.325 0.007 9 1 . . . . 74 VAL HA . 16329 1 665 . 1 1 71 71 VAL HB H 1 1.932 0.006 10 1 . . . . 74 VAL HB . 16329 1 666 . 1 1 71 71 VAL HG11 H 1 0.684 0.009 11 2 . . . . 74 VAL HG1 . 16329 1 667 . 1 1 71 71 VAL HG12 H 1 0.684 0.009 11 2 . . . . 74 VAL HG1 . 16329 1 668 . 1 1 71 71 VAL HG13 H 1 0.684 0.009 11 2 . . . . 74 VAL HG1 . 16329 1 669 . 1 1 71 71 VAL HG21 H 1 0.101 0.006 10 2 . . . . 74 VAL HG2 . 16329 1 670 . 1 1 71 71 VAL HG22 H 1 0.101 0.006 10 2 . . . . 74 VAL HG2 . 16329 1 671 . 1 1 71 71 VAL HG23 H 1 0.101 0.006 10 2 . . . . 74 VAL HG2 . 16329 1 672 . 1 1 71 71 VAL C C 13 177.088 0.027 3 1 . . . . 74 VAL C . 16329 1 673 . 1 1 71 71 VAL CA C 13 67.379 0.018 7 1 . . . . 74 VAL CA . 16329 1 674 . 1 1 71 71 VAL CB C 13 31.488 0.03 7 1 . . . . 74 VAL CB . 16329 1 675 . 1 1 71 71 VAL CG1 C 13 22.119 0.032 2 2 . . . . 74 VAL CG1 . 16329 1 676 . 1 1 71 71 VAL CG2 C 13 21.698 0 6 2 . . . . 74 VAL CG2 . 16329 1 677 . 1 1 71 71 VAL N N 15 119.722 0.063 20 1 . . . . 74 VAL N . 16329 1 678 . 1 1 72 72 LEU H H 1 8.136 0.006 28 1 . . . . 75 LEU H . 16329 1 679 . 1 1 72 72 LEU HA H 1 3.672 0.007 14 1 . . . . 75 LEU HA . 16329 1 680 . 1 1 72 72 LEU HB2 H 1 1.726 0.007 12 2 . . . . 75 LEU HB2 . 16329 1 681 . 1 1 72 72 LEU HB3 H 1 0.935 0.008 14 2 . . . . 75 LEU HB3 . 16329 1 682 . 1 1 72 72 LEU HD11 H 1 1.236 0.006 14 2 . . . . 75 LEU HD1 . 16329 1 683 . 1 1 72 72 LEU HD12 H 1 1.236 0.006 14 2 . . . . 75 LEU HD1 . 16329 1 684 . 1 1 72 72 LEU HD13 H 1 1.236 0.006 14 2 . . . . 75 LEU HD1 . 16329 1 685 . 1 1 72 72 LEU HD21 H 1 0.554 0.008 14 2 . . . . 75 LEU HD2 . 16329 1 686 . 1 1 72 72 LEU HD22 H 1 0.554 0.008 14 2 . . . . 75 LEU HD2 . 16329 1 687 . 1 1 72 72 LEU HD23 H 1 0.554 0.008 14 2 . . . . 75 LEU HD2 . 16329 1 688 . 1 1 72 72 LEU HG H 1 0.399 0.006 14 1 . . . . 75 LEU HG . 16329 1 689 . 1 1 72 72 LEU C C 13 177.734 0.01 3 1 . . . . 75 LEU C . 16329 1 690 . 1 1 72 72 LEU CA C 13 58.434 0.008 8 1 . . . . 75 LEU CA . 16329 1 691 . 1 1 72 72 LEU CB C 13 41.318 0.013 14 1 . . . . 75 LEU CB . 16329 1 692 . 1 1 72 72 LEU CD1 C 13 26.070 0.025 12 2 . . . . 75 LEU CD1 . 16329 1 693 . 1 1 72 72 LEU CG C 13 21.626 0 6 1 . . . . 75 LEU CG . 16329 1 694 . 1 1 72 72 LEU N N 15 118.528 0.056 26 1 . . . . 75 LEU N . 16329 1 695 . 1 1 73 73 MET H H 1 7.872 0.005 24 1 . . . . 76 MET H . 16329 1 696 . 1 1 73 73 MET HA H 1 3.952 0.007 12 1 . . . . 76 MET HA . 16329 1 697 . 1 1 73 73 MET HB2 H 1 1.693 0.007 12 2 . . . . 76 MET HB2 . 16329 1 698 . 1 1 73 73 MET HB3 H 1 1.469 0.007 11 2 . . . . 76 MET HB3 . 16329 1 699 . 1 1 73 73 MET HE1 H 1 1.838 0.003 3 1 . . . . 76 MET HE . 16329 1 700 . 1 1 73 73 MET HE2 H 1 1.838 0.003 3 1 . . . . 76 MET HE . 16329 1 701 . 1 1 73 73 MET HE3 H 1 1.838 0.003 3 1 . . . . 76 MET HE . 16329 1 702 . 1 1 73 73 MET HG2 H 1 2.198 0.014 12 2 . . . . 76 MET HG2 . 16329 1 703 . 1 1 73 73 MET HG3 H 1 2.070 0.009 11 2 . . . . 76 MET HG3 . 16329 1 704 . 1 1 73 73 MET C C 13 178.118 0.051 3 1 . . . . 76 MET C . 16329 1 705 . 1 1 73 73 MET CA C 13 58.409 0.005 7 1 . . . . 76 MET CA . 16329 1 706 . 1 1 73 73 MET CB C 13 33.210 0.027 13 1 . . . . 76 MET CB . 16329 1 707 . 1 1 73 73 MET CE C 13 16.530 0 1 1 . . . . 76 MET CE . 16329 1 708 . 1 1 73 73 MET CG C 13 31.507 0.012 10 1 . . . . 76 MET CG . 16329 1 709 . 1 1 73 73 MET N N 15 112.992 0.053 22 1 . . . . 76 MET N . 16329 1 710 . 1 1 74 74 TYR H H 1 7.727 0.005 22 1 . . . . 77 TYR H . 16329 1 711 . 1 1 74 74 TYR HA H 1 4.857 0.006 7 1 . . . . 77 TYR HA . 16329 1 712 . 1 1 74 74 TYR HB2 H 1 3.206 0.007 7 2 . . . . 77 TYR HB2 . 16329 1 713 . 1 1 74 74 TYR HB3 H 1 2.692 0.007 8 2 . . . . 77 TYR HB3 . 16329 1 714 . 1 1 74 74 TYR HE1 H 1 6.817 0.007 2 3 . . . . 77 TYR HE1 . 16329 1 715 . 1 1 74 74 TYR HE2 H 1 6.810 0 1 3 . . . . 77 TYR HE2 . 16329 1 716 . 1 1 74 74 TYR C C 13 175.564 0.057 3 1 . . . . 77 TYR C . 16329 1 717 . 1 1 74 74 TYR CA C 13 58.603 0.019 6 1 . . . . 77 TYR CA . 16329 1 718 . 1 1 74 74 TYR CB C 13 39.098 0.018 9 1 . . . . 77 TYR CB . 16329 1 719 . 1 1 74 74 TYR N N 15 114.989 0.028 20 1 . . . . 77 TYR N . 16329 1 720 . 1 1 75 75 ALA H H 1 9.155 0.006 22 1 . . . . 78 ALA H . 16329 1 721 . 1 1 75 75 ALA HA H 1 4.974 0.009 3 1 . . . . 78 ALA HA . 16329 1 722 . 1 1 75 75 ALA HB1 H 1 1.332 0.004 5 1 . . . . 78 ALA HB . 16329 1 723 . 1 1 75 75 ALA HB2 H 1 1.332 0.004 5 1 . . . . 78 ALA HB . 16329 1 724 . 1 1 75 75 ALA HB3 H 1 1.332 0.004 5 1 . . . . 78 ALA HB . 16329 1 725 . 1 1 75 75 ALA CA C 13 50.824 0.011 2 1 . . . . 78 ALA CA . 16329 1 726 . 1 1 75 75 ALA CB C 13 20.141 0.036 3 1 . . . . 78 ALA CB . 16329 1 727 . 1 1 75 75 ALA N N 15 124.641 0.038 20 1 . . . . 78 ALA N . 16329 1 728 . 1 1 76 76 PRO HA H 1 4.388 0.008 11 1 . . . . 79 PRO HA . 16329 1 729 . 1 1 76 76 PRO HB2 H 1 2.731 0.006 13 2 . . . . 79 PRO HB2 . 16329 1 730 . 1 1 76 76 PRO HB3 H 1 2.065 0.004 3 2 . . . . 79 PRO HB3 . 16329 1 731 . 1 1 76 76 PRO HD2 H 1 3.623 0.011 11 2 . . . . 79 PRO HD2 . 16329 1 732 . 1 1 76 76 PRO HD3 H 1 3.314 0.009 10 2 . . . . 79 PRO HD3 . 16329 1 733 . 1 1 76 76 PRO HG2 H 1 2.167 0.005 11 2 . . . . 79 PRO HG2 . 16329 1 734 . 1 1 76 76 PRO HG3 H 1 2.026 0.005 11 2 . . . . 79 PRO HG3 . 16329 1 735 . 1 1 76 76 PRO C C 13 180.492 0 1 1 . . . . 79 PRO C . 16329 1 736 . 1 1 76 76 PRO CA C 13 65.938 0.018 6 1 . . . . 79 PRO CA . 16329 1 737 . 1 1 76 76 PRO CB C 13 31.146 0.07 10 1 . . . . 79 PRO CB . 16329 1 738 . 1 1 76 76 PRO CD C 13 50.629 0 12 1 . . . . 79 PRO CD . 16329 1 739 . 1 1 76 76 PRO CG C 13 27.324 0.018 8 1 . . . . 79 PRO CG . 16329 1 740 . 1 1 77 77 LYS H H 1 8.712 0.008 15 1 . . . . 80 LYS H . 16329 1 741 . 1 1 77 77 LYS HA H 1 4.339 0.005 11 1 . . . . 80 LYS HA . 16329 1 742 . 1 1 77 77 LYS HB2 H 1 2.030 0.008 10 2 . . . . 80 LYS HB2 . 16329 1 743 . 1 1 77 77 LYS HD2 H 1 1.798 0.006 5 2 . . . . 80 LYS HD2 . 16329 1 744 . 1 1 77 77 LYS HG2 H 1 1.811 0.005 7 2 . . . . 80 LYS HG2 . 16329 1 745 . 1 1 77 77 LYS HG3 H 1 1.585 0.004 9 2 . . . . 80 LYS HG3 . 16329 1 746 . 1 1 77 77 LYS C C 13 178.352 0.073 3 1 . . . . 80 LYS C . 16329 1 747 . 1 1 77 77 LYS CA C 13 59.081 0.044 7 1 . . . . 80 LYS CA . 16329 1 748 . 1 1 77 77 LYS CB C 13 31.729 0.055 7 1 . . . . 80 LYS CB . 16329 1 749 . 1 1 77 77 LYS CD C 13 29.126 0 4 1 . . . . 80 LYS CD . 16329 1 750 . 1 1 77 77 LYS CG C 13 25.653 0 7 1 . . . . 80 LYS CG . 16329 1 751 . 1 1 77 77 LYS N N 15 117.143 0.04 14 1 . . . . 80 LYS N . 16329 1 752 . 1 1 78 78 SER H H 1 8.434 0.006 16 1 . . . . 81 SER H . 16329 1 753 . 1 1 78 78 SER HA H 1 4.667 0.023 5 1 . . . . 81 SER HA . 16329 1 754 . 1 1 78 78 SER HB2 H 1 3.967 0.031 4 2 . . . . 81 SER HB2 . 16329 1 755 . 1 1 78 78 SER C C 13 174.307 0.049 3 1 . . . . 81 SER C . 16329 1 756 . 1 1 78 78 SER CA C 13 59.893 0.058 5 1 . . . . 81 SER CA . 16329 1 757 . 1 1 78 78 SER CB C 13 64.803 0.025 5 1 . . . . 81 SER CB . 16329 1 758 . 1 1 78 78 SER N N 15 115.283 0.077 14 1 . . . . 81 SER N . 16329 1 759 . 1 1 79 79 PHE H H 1 7.595 0.004 22 1 . . . . 82 PHE H . 16329 1 760 . 1 1 79 79 PHE HA H 1 4.170 0.002 4 1 . . . . 82 PHE HA . 16329 1 761 . 1 1 79 79 PHE HB2 H 1 3.152 0.008 7 2 . . . . 82 PHE HB2 . 16329 1 762 . 1 1 79 79 PHE HB3 H 1 2.713 0 1 2 . . . . 82 PHE HB3 . 16329 1 763 . 1 1 79 79 PHE HD1 H 1 7.136 0.003 2 3 . . . . 82 PHE HD1 . 16329 1 764 . 1 1 79 79 PHE HE1 H 1 7.004 0.013 2 3 . . . . 82 PHE HE1 . 16329 1 765 . 1 1 79 79 PHE C C 13 175.986 0.036 3 1 . . . . 82 PHE C . 16329 1 766 . 1 1 79 79 PHE CA C 13 62.317 0.014 5 1 . . . . 82 PHE CA . 16329 1 767 . 1 1 79 79 PHE CB C 13 40.569 0.038 5 1 . . . . 82 PHE CB . 16329 1 768 . 1 1 79 79 PHE N N 15 121.139 0.028 19 1 . . . . 82 PHE N . 16329 1 769 . 1 1 80 80 LEU H H 1 8.619 0.005 22 1 . . . . 83 LEU H . 16329 1 770 . 1 1 80 80 LEU HA H 1 3.832 0.007 14 1 . . . . 83 LEU HA . 16329 1 771 . 1 1 80 80 LEU HB2 H 1 1.732 0.007 13 2 . . . . 83 LEU HB2 . 16329 1 772 . 1 1 80 80 LEU HB3 H 1 1.310 0.005 13 2 . . . . 83 LEU HB3 . 16329 1 773 . 1 1 80 80 LEU HD11 H 1 1.879 0.003 12 2 . . . . 83 LEU HD1 . 16329 1 774 . 1 1 80 80 LEU HD12 H 1 1.879 0.003 12 2 . . . . 83 LEU HD1 . 16329 1 775 . 1 1 80 80 LEU HD13 H 1 1.879 0.003 12 2 . . . . 83 LEU HD1 . 16329 1 776 . 1 1 80 80 LEU HD21 H 1 0.877 0.008 14 2 . . . . 83 LEU HD2 . 16329 1 777 . 1 1 80 80 LEU HD22 H 1 0.877 0.008 14 2 . . . . 83 LEU HD2 . 16329 1 778 . 1 1 80 80 LEU HD23 H 1 0.877 0.008 14 2 . . . . 83 LEU HD2 . 16329 1 779 . 1 1 80 80 LEU HG H 1 0.833 0.004 12 1 . . . . 83 LEU HG . 16329 1 780 . 1 1 80 80 LEU C C 13 180.208 0.018 3 1 . . . . 83 LEU C . 16329 1 781 . 1 1 80 80 LEU CA C 13 58.609 0.012 9 1 . . . . 83 LEU CA . 16329 1 782 . 1 1 80 80 LEU CB C 13 39.992 0.048 13 1 . . . . 83 LEU CB . 16329 1 783 . 1 1 80 80 LEU CD1 C 13 27.589 0 6 2 . . . . 83 LEU CD1 . 16329 1 784 . 1 1 80 80 LEU CD2 C 13 26.290 0 6 2 . . . . 83 LEU CD2 . 16329 1 785 . 1 1 80 80 LEU CG C 13 23.715 0 6 1 . . . . 83 LEU CG . 16329 1 786 . 1 1 80 80 LEU N N 15 118.589 0.046 19 1 . . . . 83 LEU N . 16329 1 787 . 1 1 81 81 ASP H H 1 8.033 0.006 22 1 . . . . 84 ASP H . 16329 1 788 . 1 1 81 81 ASP HA H 1 4.430 0.007 6 1 . . . . 84 ASP HA . 16329 1 789 . 1 1 81 81 ASP HB2 H 1 2.687 0.007 6 2 . . . . 84 ASP HB2 . 16329 1 790 . 1 1 81 81 ASP C C 13 177.856 0.002 2 1 . . . . 84 ASP C . 16329 1 791 . 1 1 81 81 ASP CA C 13 57.676 0.068 5 1 . . . . 84 ASP CA . 16329 1 792 . 1 1 81 81 ASP CB C 13 40.062 0.022 5 1 . . . . 84 ASP CB . 16329 1 793 . 1 1 81 81 ASP N N 15 120.756 0.04 20 1 . . . . 84 ASP N . 16329 1 794 . 1 1 82 82 PHE H H 1 8.156 0.006 21 1 . . . . 85 PHE H . 16329 1 795 . 1 1 82 82 PHE HA H 1 4.050 0.01 6 1 . . . . 85 PHE HA . 16329 1 796 . 1 1 82 82 PHE HB2 H 1 3.282 0.028 8 2 . . . . 85 PHE HB2 . 16329 1 797 . 1 1 82 82 PHE HB3 H 1 3.152 0.012 6 2 . . . . 85 PHE HB3 . 16329 1 798 . 1 1 82 82 PHE HD1 H 1 6.945 0 1 3 . . . . 85 PHE HD1 . 16329 1 799 . 1 1 82 82 PHE C C 13 177.101 0.004 2 1 . . . . 85 PHE C . 16329 1 800 . 1 1 82 82 PHE CA C 13 61.486 0.043 5 1 . . . . 85 PHE CA . 16329 1 801 . 1 1 82 82 PHE CB C 13 39.199 0.006 8 1 . . . . 85 PHE CB . 16329 1 802 . 1 1 82 82 PHE N N 15 121.307 0.065 19 1 . . . . 85 PHE N . 16329 1 803 . 1 1 83 83 GLN H H 1 8.501 0.006 19 1 . . . . 86 GLN H . 16329 1 804 . 1 1 83 83 GLN HA H 1 3.406 0.018 14 1 . . . . 86 GLN HA . 16329 1 805 . 1 1 83 83 GLN HB2 H 1 1.897 0.014 11 2 . . . . 86 GLN HB2 . 16329 1 806 . 1 1 83 83 GLN HB3 H 1 1.800 0.007 9 2 . . . . 86 GLN HB3 . 16329 1 807 . 1 1 83 83 GLN HE21 H 1 7.018 0 1 2 . . . . 86 GLN HE21 . 16329 1 808 . 1 1 83 83 GLN HE22 H 1 6.102 0 1 2 . . . . 86 GLN HE22 . 16329 1 809 . 1 1 83 83 GLN HG2 H 1 1.964 0.004 10 2 . . . . 86 GLN HG2 . 16329 1 810 . 1 1 83 83 GLN HG3 H 1 1.832 0.01 9 2 . . . . 86 GLN HG3 . 16329 1 811 . 1 1 83 83 GLN C C 13 176.912 0.032 3 1 . . . . 86 GLN C . 16329 1 812 . 1 1 83 83 GLN CA C 13 60.616 0.027 8 1 . . . . 86 GLN CA . 16329 1 813 . 1 1 83 83 GLN CB C 13 29.919 0.017 12 1 . . . . 86 GLN CB . 16329 1 814 . 1 1 83 83 GLN CG C 13 34.207 0 10 1 . . . . 86 GLN CG . 16329 1 815 . 1 1 83 83 GLN N N 15 117.731 0.028 17 1 . . . . 86 GLN N . 16329 1 816 . 1 1 83 83 GLN NE2 N 15 106.310 0.004 2 1 . . . . 86 GLN NE2 . 16329 1 817 . 1 1 84 84 LYS H H 1 7.710 0.009 20 1 . . . . 87 LYS H . 16329 1 818 . 1 1 84 84 LYS HA H 1 4.419 0.005 9 1 . . . . 87 LYS HA . 16329 1 819 . 1 1 84 84 LYS HB2 H 1 2.170 0.008 12 2 . . . . 87 LYS HB2 . 16329 1 820 . 1 1 84 84 LYS HB3 H 1 1.910 0.013 12 2 . . . . 87 LYS HB3 . 16329 1 821 . 1 1 84 84 LYS HD2 H 1 1.695 0.006 11 2 . . . . 87 LYS HD2 . 16329 1 822 . 1 1 84 84 LYS HE2 H 1 3.006 0.003 11 2 . . . . 87 LYS HE2 . 16329 1 823 . 1 1 84 84 LYS HG2 H 1 1.345 0.01 13 2 . . . . 87 LYS HG2 . 16329 1 824 . 1 1 84 84 LYS C C 13 180.050 0.023 3 1 . . . . 87 LYS C . 16329 1 825 . 1 1 84 84 LYS CA C 13 59.004 0.032 9 1 . . . . 87 LYS CA . 16329 1 826 . 1 1 84 84 LYS CB C 13 32.406 0.036 13 1 . . . . 87 LYS CB . 16329 1 827 . 1 1 84 84 LYS CD C 13 29.592 0 5 1 . . . . 87 LYS CD . 16329 1 828 . 1 1 84 84 LYS CE C 13 42.198 0 5 1 . . . . 87 LYS CE . 16329 1 829 . 1 1 84 84 LYS CG C 13 23.752 0 5 1 . . . . 87 LYS CG . 16329 1 830 . 1 1 84 84 LYS N N 15 117.910 0.034 17 1 . . . . 87 LYS N . 16329 1 831 . 1 1 85 85 GLN H H 1 7.708 0.005 20 1 . . . . 88 GLN H . 16329 1 832 . 1 1 85 85 GLN HA H 1 4.011 0.004 12 1 . . . . 88 GLN HA . 16329 1 833 . 1 1 85 85 GLN HB2 H 1 2.113 0.006 11 2 . . . . 88 GLN HB2 . 16329 1 834 . 1 1 85 85 GLN HB3 H 1 2.005 0.029 13 2 . . . . 88 GLN HB3 . 16329 1 835 . 1 1 85 85 GLN HE21 H 1 7.871 0 1 2 . . . . 88 GLN HE21 . 16329 1 836 . 1 1 85 85 GLN HE22 H 1 6.950 0 1 2 . . . . 88 GLN HE22 . 16329 1 837 . 1 1 85 85 GLN HG2 H 1 2.456 0.008 11 2 . . . . 88 GLN HG2 . 16329 1 838 . 1 1 85 85 GLN HG3 H 1 2.353 0.012 12 2 . . . . 88 GLN HG3 . 16329 1 839 . 1 1 85 85 GLN C C 13 177.926 0.03 3 1 . . . . 88 GLN C . 16329 1 840 . 1 1 85 85 GLN CA C 13 58.084 0.008 8 1 . . . . 88 GLN CA . 16329 1 841 . 1 1 85 85 GLN CB C 13 28.724 0.047 13 1 . . . . 88 GLN CB . 16329 1 842 . 1 1 85 85 GLN CG C 13 34.580 0 10 1 . . . . 88 GLN CG . 16329 1 843 . 1 1 85 85 GLN N N 15 116.720 0.056 19 1 . . . . 88 GLN N . 16329 1 844 . 1 1 85 85 GLN NE2 N 15 114.456 0.006 2 1 . . . . 88 GLN NE2 . 16329 1 845 . 1 1 86 86 LEU H H 1 7.817 0.005 25 1 . . . . 89 LEU H . 16329 1 846 . 1 1 86 86 LEU HA H 1 3.823 0.005 15 1 . . . . 89 LEU HA . 16329 1 847 . 1 1 86 86 LEU HB2 H 1 0.782 0.008 15 2 . . . . 89 LEU HB2 . 16329 1 848 . 1 1 86 86 LEU HB3 H 1 0.377 0.01 15 2 . . . . 89 LEU HB3 . 16329 1 849 . 1 1 86 86 LEU HD11 H 1 -0.083 0.005 14 2 . . . . 89 LEU HD1 . 16329 1 850 . 1 1 86 86 LEU HD12 H 1 -0.083 0.005 14 2 . . . . 89 LEU HD1 . 16329 1 851 . 1 1 86 86 LEU HD13 H 1 -0.083 0.005 14 2 . . . . 89 LEU HD1 . 16329 1 852 . 1 1 86 86 LEU HD21 H 1 -0.539 0.004 20 2 . . . . 89 LEU HD2 . 16329 1 853 . 1 1 86 86 LEU HD22 H 1 -0.539 0.004 20 2 . . . . 89 LEU HD2 . 16329 1 854 . 1 1 86 86 LEU HD23 H 1 -0.539 0.004 20 2 . . . . 89 LEU HD2 . 16329 1 855 . 1 1 86 86 LEU HG H 1 0.659 0.006 13 1 . . . . 89 LEU HG . 16329 1 856 . 1 1 86 86 LEU C C 13 179.228 0.017 2 1 . . . . 89 LEU C . 16329 1 857 . 1 1 86 86 LEU CA C 13 57.534 0.056 9 1 . . . . 89 LEU CA . 16329 1 858 . 1 1 86 86 LEU CB C 13 40.703 0.053 15 1 . . . . 89 LEU CB . 16329 1 859 . 1 1 86 86 LEU CD1 C 13 23.153 0.097 18 2 . . . . 89 LEU CD1 . 16329 1 860 . 1 1 86 86 LEU CG C 13 26.404 0 6 1 . . . . 89 LEU CG . 16329 1 861 . 1 1 86 86 LEU N N 15 122.521 0.053 24 1 . . . . 89 LEU N . 16329 1 862 . 1 1 87 87 PHE H H 1 8.171 0.006 24 1 . . . . 90 PHE H . 16329 1 863 . 1 1 87 87 PHE HA H 1 4.481 0.009 9 1 . . . . 90 PHE HA . 16329 1 864 . 1 1 87 87 PHE HB2 H 1 3.089 0.006 8 2 . . . . 90 PHE HB2 . 16329 1 865 . 1 1 87 87 PHE HB3 H 1 3.017 0.004 8 2 . . . . 90 PHE HB3 . 16329 1 866 . 1 1 87 87 PHE C C 13 179.080 0.022 2 1 . . . . 90 PHE C . 16329 1 867 . 1 1 87 87 PHE CA C 13 63.083 0.024 6 1 . . . . 90 PHE CA . 16329 1 868 . 1 1 87 87 PHE CB C 13 38.940 0.035 9 1 . . . . 90 PHE CB . 16329 1 869 . 1 1 87 87 PHE N N 15 115.576 0.028 21 1 . . . . 90 PHE N . 16329 1 870 . 1 1 88 88 ALA H H 1 7.670 0.074 23 1 . . . . 91 ALA H . 16329 1 871 . 1 1 88 88 ALA HA H 1 4.147 0.005 6 1 . . . . 91 ALA HA . 16329 1 872 . 1 1 88 88 ALA HB1 H 1 1.461 0.009 6 1 . . . . 91 ALA HB . 16329 1 873 . 1 1 88 88 ALA HB2 H 1 1.461 0.009 6 1 . . . . 91 ALA HB . 16329 1 874 . 1 1 88 88 ALA HB3 H 1 1.461 0.009 6 1 . . . . 91 ALA HB . 16329 1 875 . 1 1 88 88 ALA C C 13 178.721 0.03 3 1 . . . . 91 ALA C . 16329 1 876 . 1 1 88 88 ALA CA C 13 54.410 0.022 5 1 . . . . 91 ALA CA . 16329 1 877 . 1 1 88 88 ALA CB C 13 18.243 0.052 5 1 . . . . 91 ALA CB . 16329 1 878 . 1 1 88 88 ALA N N 15 117.596 0.024 19 1 . . . . 91 ALA N . 16329 1 879 . 1 1 89 89 ALA H H 1 7.287 0.007 22 1 . . . . 92 ALA H . 16329 1 880 . 1 1 89 89 ALA HA H 1 4.231 0.019 7 1 . . . . 92 ALA HA . 16329 1 881 . 1 1 89 89 ALA HB1 H 1 1.541 0.01 6 1 . . . . 92 ALA HB . 16329 1 882 . 1 1 89 89 ALA HB2 H 1 1.541 0.01 6 1 . . . . 92 ALA HB . 16329 1 883 . 1 1 89 89 ALA HB3 H 1 1.541 0.01 6 1 . . . . 92 ALA HB . 16329 1 884 . 1 1 89 89 ALA C C 13 175.668 0.123 3 1 . . . . 92 ALA C . 16329 1 885 . 1 1 89 89 ALA CA C 13 51.074 0.265 5 1 . . . . 92 ALA CA . 16329 1 886 . 1 1 89 89 ALA CB C 13 19.669 0.06 5 1 . . . . 92 ALA CB . 16329 1 887 . 1 1 89 89 ALA N N 15 120.522 0.037 18 1 . . . . 92 ALA N . 16329 1 888 . 1 1 90 90 GLN H H 1 6.925 0.005 22 1 . . . . 93 GLN H . 16329 1 889 . 1 1 90 90 GLN HA H 1 2.241 0.012 11 1 . . . . 93 GLN HA . 16329 1 890 . 1 1 90 90 GLN HB2 H 1 2.351 0.006 12 2 . . . . 93 GLN HB2 . 16329 1 891 . 1 1 90 90 GLN HB3 H 1 1.878 0.003 11 2 . . . . 93 GLN HB3 . 16329 1 892 . 1 1 90 90 GLN HE21 H 1 7.458 0 1 2 . . . . 93 GLN HE21 . 16329 1 893 . 1 1 90 90 GLN HE22 H 1 6.187 0 1 2 . . . . 93 GLN HE22 . 16329 1 894 . 1 1 90 90 GLN HG2 H 1 2.887 0.002 10 2 . . . . 93 GLN HG2 . 16329 1 895 . 1 1 90 90 GLN HG3 H 1 2.479 0.007 10 2 . . . . 93 GLN HG3 . 16329 1 896 . 1 1 90 90 GLN CA C 13 57.876 0.018 6 1 . . . . 93 GLN CA . 16329 1 897 . 1 1 90 90 GLN CB C 13 31.780 0.07 11 1 . . . . 93 GLN CB . 16329 1 898 . 1 1 90 90 GLN CG C 13 35.821 0 10 1 . . . . 93 GLN CG . 16329 1 899 . 1 1 90 90 GLN N N 15 117.565 0.04 20 1 . . . . 93 GLN N . 16329 1 900 . 1 1 90 90 GLN NE2 N 15 107.859 0.001 2 1 . . . . 93 GLN NE2 . 16329 1 901 . 1 1 91 91 GLN H H 1 3.505 0.009 3 1 . . . . 94 GLN H . 16329 1 902 . 1 1 91 91 GLN HA H 1 4.311 0.004 6 1 . . . . 94 GLN HA . 16329 1 903 . 1 1 91 91 GLN HB2 H 1 2.167 0.03 6 2 . . . . 94 GLN HB2 . 16329 1 904 . 1 1 91 91 GLN HG2 H 1 1.944 0.007 6 2 . . . . 94 GLN HG2 . 16329 1 905 . 1 1 91 91 GLN C C 13 173.912 0.011 2 1 . . . . 94 GLN C . 16329 1 906 . 1 1 91 91 GLN CA C 13 53.106 0.055 5 1 . . . . 94 GLN CA . 16329 1 907 . 1 1 91 91 GLN CB C 13 30.546 0.085 5 1 . . . . 94 GLN CB . 16329 1 908 . 1 1 91 91 GLN CG C 13 33.321 0 3 1 . . . . 94 GLN CG . 16329 1 909 . 1 1 91 91 GLN N N 15 123.498 0.01 2 1 . . . . 94 GLN N . 16329 1 910 . 1 1 92 92 ASP H H 1 7.734 0.012 16 1 . . . . 95 ASP H . 16329 1 911 . 1 1 92 92 ASP HA H 1 4.370 0.002 4 1 . . . . 95 ASP HA . 16329 1 912 . 1 1 92 92 ASP HB2 H 1 2.663 0.007 7 2 . . . . 95 ASP HB2 . 16329 1 913 . 1 1 92 92 ASP C C 13 176.572 0.012 2 1 . . . . 95 ASP C . 16329 1 914 . 1 1 92 92 ASP CA C 13 55.800 0.018 5 1 . . . . 95 ASP CA . 16329 1 915 . 1 1 92 92 ASP CB C 13 42.920 0.03 5 1 . . . . 95 ASP CB . 16329 1 916 . 1 1 92 92 ASP N N 15 120.454 0.027 14 1 . . . . 95 ASP N . 16329 1 917 . 1 1 93 93 GLU H H 1 9.066 0.006 17 1 . . . . 96 GLU H . 16329 1 918 . 1 1 93 93 GLU HA H 1 4.345 0.01 7 1 . . . . 96 GLU HA . 16329 1 919 . 1 1 93 93 GLU HB2 H 1 2.016 0.004 8 2 . . . . 96 GLU HB2 . 16329 1 920 . 1 1 93 93 GLU HG2 H 1 2.348 0.007 5 2 . . . . 96 GLU HG2 . 16329 1 921 . 1 1 93 93 GLU C C 13 176.572 0.05 3 1 . . . . 96 GLU C . 16329 1 922 . 1 1 93 93 GLU CA C 13 59.286 0.031 4 1 . . . . 96 GLU CA . 16329 1 923 . 1 1 93 93 GLU CB C 13 30.641 0.221 6 1 . . . . 96 GLU CB . 16329 1 924 . 1 1 93 93 GLU CG C 13 33.654 0 3 1 . . . . 96 GLU CG . 16329 1 925 . 1 1 93 93 GLU N N 15 122.596 0.039 15 1 . . . . 96 GLU N . 16329 1 926 . 1 1 94 94 ASN H H 1 8.442 0.009 22 1 . . . . 97 ASN H . 16329 1 927 . 1 1 94 94 ASN HA H 1 4.707 0.019 7 1 . . . . 97 ASN HA . 16329 1 928 . 1 1 94 94 ASN HB2 H 1 2.859 0.009 6 2 . . . . 97 ASN HB2 . 16329 1 929 . 1 1 94 94 ASN C C 13 175.569 0.038 3 1 . . . . 97 ASN C . 16329 1 930 . 1 1 94 94 ASN CA C 13 53.899 0.025 5 1 . . . . 97 ASN CA . 16329 1 931 . 1 1 94 94 ASN CB C 13 38.879 0.099 5 1 . . . . 97 ASN CB . 16329 1 932 . 1 1 94 94 ASN N N 15 115.180 0.12 19 1 . . . . 97 ASN N . 16329 1 933 . 1 1 95 95 LYS H H 1 8.163 0.006 18 1 . . . . 98 LYS H . 16329 1 934 . 1 1 95 95 LYS C C 13 176.981 0.006 2 1 . . . . 98 LYS C . 16329 1 935 . 1 1 95 95 LYS CA C 13 55.198 0.099 2 1 . . . . 98 LYS CA . 16329 1 936 . 1 1 95 95 LYS CB C 13 34.612 0.019 3 1 . . . . 98 LYS CB . 16329 1 937 . 1 1 95 95 LYS N N 15 120.987 0.066 16 1 . . . . 98 LYS N . 16329 1 938 . 1 1 96 96 GLU H H 1 8.681 0.011 9 1 . . . . 99 GLU H . 16329 1 939 . 1 1 96 96 GLU HA H 1 4.520 0.006 10 1 . . . . 99 GLU HA . 16329 1 940 . 1 1 96 96 GLU HB2 H 1 1.883 0.006 8 2 . . . . 99 GLU HB2 . 16329 1 941 . 1 1 96 96 GLU HB3 H 1 1.795 0.004 8 2 . . . . 99 GLU HB3 . 16329 1 942 . 1 1 96 96 GLU HG2 H 1 2.197 0.012 8 2 . . . . 99 GLU HG2 . 16329 1 943 . 1 1 96 96 GLU C C 13 175.659 0.121 2 1 . . . . 99 GLU C . 16329 1 944 . 1 1 96 96 GLU CA C 13 55.302 0.039 7 1 . . . . 99 GLU CA . 16329 1 945 . 1 1 96 96 GLU CB C 13 27.808 0.03 11 1 . . . . 99 GLU CB . 16329 1 946 . 1 1 96 96 GLU CG C 13 36.501 0 4 1 . . . . 99 GLU CG . 16329 1 947 . 1 1 96 96 GLU N N 15 125.290 0.06 9 1 . . . . 99 GLU N . 16329 1 948 . 1 1 97 97 TRP H H 1 7.386 0.006 23 1 . . . . 100 TRP H . 16329 1 949 . 1 1 97 97 TRP HA H 1 4.753 0.01 9 1 . . . . 100 TRP HA . 16329 1 950 . 1 1 97 97 TRP HB2 H 1 3.651 0.007 7 2 . . . . 100 TRP HB2 . 16329 1 951 . 1 1 97 97 TRP HB3 H 1 2.675 0.003 7 2 . . . . 100 TRP HB3 . 16329 1 952 . 1 1 97 97 TRP HE1 H 1 10.635 0.004 6 1 . . . . 100 TRP HE1 . 16329 1 953 . 1 1 97 97 TRP C C 13 176.942 0.014 2 1 . . . . 100 TRP C . 16329 1 954 . 1 1 97 97 TRP CA C 13 55.907 0.025 6 1 . . . . 100 TRP CA . 16329 1 955 . 1 1 97 97 TRP CB C 13 29.937 0.075 9 1 . . . . 100 TRP CB . 16329 1 956 . 1 1 97 97 TRP N N 15 120.006 0.058 21 1 . . . . 100 TRP N . 16329 1 957 . 1 1 97 97 TRP NE1 N 15 131.362 0.042 5 1 . . . . 100 TRP NE1 . 16329 1 958 . 1 1 98 98 LEU H H 1 8.984 0.008 21 1 . . . . 101 LEU H . 16329 1 959 . 1 1 98 98 LEU HA H 1 3.927 0.01 14 1 . . . . 101 LEU HA . 16329 1 960 . 1 1 98 98 LEU HB2 H 1 1.285 0.011 12 2 . . . . 101 LEU HB2 . 16329 1 961 . 1 1 98 98 LEU HB3 H 1 0.783 0.014 12 2 . . . . 101 LEU HB3 . 16329 1 962 . 1 1 98 98 LEU HD11 H 1 0.270 0.005 11 2 . . . . 101 LEU HD1 . 16329 1 963 . 1 1 98 98 LEU HD12 H 1 0.270 0.005 11 2 . . . . 101 LEU HD1 . 16329 1 964 . 1 1 98 98 LEU HD13 H 1 0.270 0.005 11 2 . . . . 101 LEU HD1 . 16329 1 965 . 1 1 98 98 LEU HD21 H 1 0.075 0.005 12 2 . . . . 101 LEU HD2 . 16329 1 966 . 1 1 98 98 LEU HD22 H 1 0.075 0.005 12 2 . . . . 101 LEU HD2 . 16329 1 967 . 1 1 98 98 LEU HD23 H 1 0.075 0.005 12 2 . . . . 101 LEU HD2 . 16329 1 968 . 1 1 98 98 LEU HG H 1 -0.611 0.006 13 1 . . . . 101 LEU HG . 16329 1 969 . 1 1 98 98 LEU C C 13 174.865 0 1 1 . . . . 101 LEU C . 16329 1 970 . 1 1 98 98 LEU CA C 13 54.212 0.023 8 1 . . . . 101 LEU CA . 16329 1 971 . 1 1 98 98 LEU CB C 13 39.504 0.047 11 1 . . . . 101 LEU CB . 16329 1 972 . 1 1 98 98 LEU CD1 C 13 28.023 0 5 2 . . . . 101 LEU CD1 . 16329 1 973 . 1 1 98 98 LEU CD2 C 13 27.007 0 5 2 . . . . 101 LEU CD2 . 16329 1 974 . 1 1 98 98 LEU CG C 13 24.913 0.11 8 1 . . . . 101 LEU CG . 16329 1 975 . 1 1 98 98 LEU N N 15 129.790 0.033 18 1 . . . . 101 LEU N . 16329 1 976 . 1 1 99 99 THR H H 1 7.356 0.004 19 1 . . . . 102 THR H . 16329 1 977 . 1 1 99 99 THR HA H 1 4.490 0.008 2 1 . . . . 102 THR HA . 16329 1 978 . 1 1 99 99 THR HB H 1 3.898 0.002 2 1 . . . . 102 THR HB . 16329 1 979 . 1 1 99 99 THR C C 13 175.227 0.026 2 1 . . . . 102 THR C . 16329 1 980 . 1 1 99 99 THR CA C 13 58.849 0.117 3 1 . . . . 102 THR CA . 16329 1 981 . 1 1 99 99 THR CB C 13 71.555 0.04 4 1 . . . . 102 THR CB . 16329 1 982 . 1 1 99 99 THR N N 15 110.885 0.037 17 1 . . . . 102 THR N . 16329 1 983 . 1 1 100 100 LYS H H 1 8.757 0.005 15 1 . . . . 103 LYS H . 16329 1 984 . 1 1 100 100 LYS HA H 1 4.568 0.008 4 1 . . . . 103 LYS HA . 16329 1 985 . 1 1 100 100 LYS HB2 H 1 1.707 0.008 3 2 . . . . 103 LYS HB2 . 16329 1 986 . 1 1 100 100 LYS C C 13 177.761 0.083 3 1 . . . . 103 LYS C . 16329 1 987 . 1 1 100 100 LYS CA C 13 58.938 0.119 3 1 . . . . 103 LYS CA . 16329 1 988 . 1 1 100 100 LYS CB C 13 32.261 0.125 3 1 . . . . 103 LYS CB . 16329 1 989 . 1 1 100 100 LYS N N 15 119.953 0.045 14 1 . . . . 103 LYS N . 16329 1 990 . 1 1 101 101 GLU H H 1 8.198 0.004 23 1 . . . . 104 GLU H . 16329 1 991 . 1 1 101 101 GLU HA H 1 4.073 0.003 12 1 . . . . 104 GLU HA . 16329 1 992 . 1 1 101 101 GLU HB2 H 1 2.094 0.011 12 2 . . . . 104 GLU HB2 . 16329 1 993 . 1 1 101 101 GLU HB3 H 1 1.929 0.008 11 2 . . . . 104 GLU HB3 . 16329 1 994 . 1 1 101 101 GLU HG2 H 1 2.408 0.005 10 2 . . . . 104 GLU HG2 . 16329 1 995 . 1 1 101 101 GLU HG3 H 1 2.303 0.015 10 2 . . . . 104 GLU HG3 . 16329 1 996 . 1 1 101 101 GLU C C 13 179.447 0.023 2 1 . . . . 104 GLU C . 16329 1 997 . 1 1 101 101 GLU CA C 13 60.461 0.052 8 1 . . . . 104 GLU CA . 16329 1 998 . 1 1 101 101 GLU CB C 13 29.226 0.06 13 1 . . . . 104 GLU CB . 16329 1 999 . 1 1 101 101 GLU CG C 13 37.319 0 10 1 . . . . 104 GLU CG . 16329 1 1000 . 1 1 101 101 GLU N N 15 116.620 0.035 20 1 . . . . 104 GLU N . 16329 1 1001 . 1 1 102 102 LEU H H 1 7.805 0.193 25 1 . . . . 105 LEU H . 16329 1 1002 . 1 1 102 102 LEU HA H 1 4.141 0.004 11 1 . . . . 105 LEU HA . 16329 1 1003 . 1 1 102 102 LEU HB2 H 1 1.920 0.008 13 2 . . . . 105 LEU HB2 . 16329 1 1004 . 1 1 102 102 LEU HD11 H 1 1.240 0.007 19 2 . . . . 105 LEU HD1 . 16329 1 1005 . 1 1 102 102 LEU HD12 H 1 1.240 0.007 19 2 . . . . 105 LEU HD1 . 16329 1 1006 . 1 1 102 102 LEU HD13 H 1 1.240 0.007 19 2 . . . . 105 LEU HD1 . 16329 1 1007 . 1 1 102 102 LEU HD21 H 1 0.815 0.005 12 2 . . . . 105 LEU HD2 . 16329 1 1008 . 1 1 102 102 LEU HD22 H 1 0.815 0.005 12 2 . . . . 105 LEU HD2 . 16329 1 1009 . 1 1 102 102 LEU HD23 H 1 0.815 0.005 12 2 . . . . 105 LEU HD2 . 16329 1 1010 . 1 1 102 102 LEU HG H 1 1.745 0.006 11 1 . . . . 105 LEU HG . 16329 1 1011 . 1 1 102 102 LEU C C 13 179.079 0.039 2 1 . . . . 105 LEU C . 16329 1 1012 . 1 1 102 102 LEU CA C 13 58.888 0.036 8 1 . . . . 105 LEU CA . 16329 1 1013 . 1 1 102 102 LEU CB C 13 42.346 0.071 8 1 . . . . 105 LEU CB . 16329 1 1014 . 1 1 102 102 LEU CD1 C 13 26.104 0 10 2 . . . . 105 LEU CD1 . 16329 1 1015 . 1 1 102 102 LEU CD2 C 13 24.295 0 5 2 . . . . 105 LEU CD2 . 16329 1 1016 . 1 1 102 102 LEU CG C 13 27.218 0 5 1 . . . . 105 LEU CG . 16329 1 1017 . 1 1 102 102 LEU N N 15 122.702 0.04 21 1 . . . . 105 LEU N . 16329 1 1018 . 1 1 103 103 LEU H H 1 8.732 0.006 22 1 . . . . 106 LEU H . 16329 1 1019 . 1 1 103 103 LEU HA H 1 3.740 0.005 14 1 . . . . 106 LEU HA . 16329 1 1020 . 1 1 103 103 LEU HB2 H 1 2.214 0.011 13 2 . . . . 106 LEU HB2 . 16329 1 1021 . 1 1 103 103 LEU HB3 H 1 0.821 0.009 12 2 . . . . 106 LEU HB3 . 16329 1 1022 . 1 1 103 103 LEU HD11 H 1 1.490 0.007 13 2 . . . . 106 LEU HD1 . 16329 1 1023 . 1 1 103 103 LEU HD12 H 1 1.490 0.007 13 2 . . . . 106 LEU HD1 . 16329 1 1024 . 1 1 103 103 LEU HD13 H 1 1.490 0.007 13 2 . . . . 106 LEU HD1 . 16329 1 1025 . 1 1 103 103 LEU HD21 H 1 0.495 0.004 13 2 . . . . 106 LEU HD2 . 16329 1 1026 . 1 1 103 103 LEU HD22 H 1 0.495 0.004 13 2 . . . . 106 LEU HD2 . 16329 1 1027 . 1 1 103 103 LEU HD23 H 1 0.495 0.004 13 2 . . . . 106 LEU HD2 . 16329 1 1028 . 1 1 103 103 LEU HG H 1 0.546 0.005 12 1 . . . . 106 LEU HG . 16329 1 1029 . 1 1 103 103 LEU C C 13 179.010 0.052 2 1 . . . . 106 LEU C . 16329 1 1030 . 1 1 103 103 LEU CA C 13 58.819 0.042 9 1 . . . . 106 LEU CA . 16329 1 1031 . 1 1 103 103 LEU CB C 13 40.917 0.023 13 1 . . . . 106 LEU CB . 16329 1 1032 . 1 1 103 103 LEU CD1 C 13 26.913 0 12 2 . . . . 106 LEU CD1 . 16329 1 1033 . 1 1 103 103 LEU CG C 13 23.612 0 6 1 . . . . 106 LEU CG . 16329 1 1034 . 1 1 103 103 LEU N N 15 121.288 0.039 20 1 . . . . 106 LEU N . 16329 1 1035 . 1 1 104 104 ASP H H 1 8.979 0.011 20 1 . . . . 107 ASP H . 16329 1 1036 . 1 1 104 104 ASP HA H 1 4.507 0.005 3 1 . . . . 107 ASP HA . 16329 1 1037 . 1 1 104 104 ASP C C 13 178.910 0 1 1 . . . . 107 ASP C . 16329 1 1038 . 1 1 104 104 ASP CA C 13 57.980 0.134 4 1 . . . . 107 ASP CA . 16329 1 1039 . 1 1 104 104 ASP CB C 13 39.362 0.054 3 1 . . . . 107 ASP CB . 16329 1 1040 . 1 1 104 104 ASP N N 15 119.958 0.037 16 1 . . . . 107 ASP N . 16329 1 1041 . 1 1 105 105 LYS H H 1 7.396 0.009 17 1 . . . . 108 LYS H . 16329 1 1042 . 1 1 105 105 LYS HA H 1 3.962 0.007 16 1 . . . . 108 LYS HA . 16329 1 1043 . 1 1 105 105 LYS HB2 H 1 2.091 0.04 17 2 . . . . 108 LYS HB2 . 16329 1 1044 . 1 1 105 105 LYS HB3 H 1 2.171 0.037 10 2 . . . . 108 LYS HB3 . 16329 1 1045 . 1 1 105 105 LYS HD2 H 1 1.691 0.007 13 2 . . . . 108 LYS HD2 . 16329 1 1046 . 1 1 105 105 LYS HE2 H 1 2.932 0.004 15 2 . . . . 108 LYS HE2 . 16329 1 1047 . 1 1 105 105 LYS HG2 H 1 1.584 0.008 13 2 . . . . 108 LYS HG2 . 16329 1 1048 . 1 1 105 105 LYS HG3 H 1 1.224 0.004 13 2 . . . . 108 LYS HG3 . 16329 1 1049 . 1 1 105 105 LYS C C 13 179.461 0 1 1 . . . . 108 LYS C . 16329 1 1050 . 1 1 105 105 LYS CA C 13 60.188 0.06 10 1 . . . . 108 LYS CA . 16329 1 1051 . 1 1 105 105 LYS CB C 13 32.023 0.056 13 1 . . . . 108 LYS CB . 16329 1 1052 . 1 1 105 105 LYS CD C 13 29.765 0 7 1 . . . . 108 LYS CD . 16329 1 1053 . 1 1 105 105 LYS CE C 13 42.187 0.059 8 1 . . . . 108 LYS CE . 16329 1 1054 . 1 1 105 105 LYS CG C 13 25.033 0.007 14 1 . . . . 108 LYS CG . 16329 1 1055 . 1 1 105 105 LYS N N 15 119.832 0.088 14 1 . . . . 108 LYS N . 16329 1 1056 . 1 1 106 106 HIS H H 1 8.485 0.006 24 1 . . . . 109 HIS H . 16329 1 1057 . 1 1 106 106 HIS HB2 H 1 3.146 0.004 2 2 . . . . 109 HIS HB2 . 16329 1 1058 . 1 1 106 106 HIS C C 13 178.800 0.034 2 1 . . . . 109 HIS C . 16329 1 1059 . 1 1 106 106 HIS CA C 13 61.446 0.062 3 1 . . . . 109 HIS CA . 16329 1 1060 . 1 1 106 106 HIS CB C 13 32.434 0.033 3 1 . . . . 109 HIS CB . 16329 1 1061 . 1 1 106 106 HIS N N 15 119.994 0.069 21 1 . . . . 109 HIS N . 16329 1 1062 . 1 1 107 107 ILE H H 1 8.990 0.009 22 1 . . . . 110 ILE H . 16329 1 1063 . 1 1 107 107 ILE HA H 1 3.705 0.018 10 1 . . . . 110 ILE HA . 16329 1 1064 . 1 1 107 107 ILE HB H 1 1.945 0.012 15 1 . . . . 110 ILE HB . 16329 1 1065 . 1 1 107 107 ILE HD11 H 1 0.741 0.013 13 1 . . . . 110 ILE HD1 . 16329 1 1066 . 1 1 107 107 ILE HD12 H 1 0.741 0.013 13 1 . . . . 110 ILE HD1 . 16329 1 1067 . 1 1 107 107 ILE HD13 H 1 0.741 0.013 13 1 . . . . 110 ILE HD1 . 16329 1 1068 . 1 1 107 107 ILE HG12 H 1 1.890 0.01 11 2 . . . . 110 ILE HG12 . 16329 1 1069 . 1 1 107 107 ILE HG13 H 1 0.548 0.008 14 2 . . . . 110 ILE HG13 . 16329 1 1070 . 1 1 107 107 ILE HG21 H 1 0.881 0.003 12 1 . . . . 110 ILE HG2 . 16329 1 1071 . 1 1 107 107 ILE HG22 H 1 0.881 0.003 12 1 . . . . 110 ILE HG2 . 16329 1 1072 . 1 1 107 107 ILE HG23 H 1 0.881 0.003 12 1 . . . . 110 ILE HG2 . 16329 1 1073 . 1 1 107 107 ILE C C 13 179.567 0.001 2 1 . . . . 110 ILE C . 16329 1 1074 . 1 1 107 107 ILE CA C 13 65.611 0.156 7 1 . . . . 110 ILE CA . 16329 1 1075 . 1 1 107 107 ILE CB C 13 38.190 0.249 8 1 . . . . 110 ILE CB . 16329 1 1076 . 1 1 107 107 ILE CD1 C 13 15.223 0 5 1 . . . . 110 ILE CD1 . 16329 1 1077 . 1 1 107 107 ILE CG1 C 13 30.263 0.012 12 1 . . . . 110 ILE CG1 . 16329 1 1078 . 1 1 107 107 ILE CG2 C 13 18.036 0 6 1 . . . . 110 ILE CG2 . 16329 1 1079 . 1 1 107 107 ILE N N 15 122.423 0.123 19 1 . . . . 110 ILE N . 16329 1 1080 . 1 1 108 108 LYS H H 1 8.430 0.007 19 1 . . . . 111 LYS H . 16329 1 1081 . 1 1 108 108 LYS HA H 1 4.036 0 2 1 . . . . 111 LYS HA . 16329 1 1082 . 1 1 108 108 LYS C C 13 179.462 0.022 3 1 . . . . 111 LYS C . 16329 1 1083 . 1 1 108 108 LYS CA C 13 59.924 0.09 3 1 . . . . 111 LYS CA . 16329 1 1084 . 1 1 108 108 LYS CB C 13 32.381 0.021 3 1 . . . . 111 LYS CB . 16329 1 1085 . 1 1 108 108 LYS N N 15 121.450 0.048 16 1 . . . . 111 LYS N . 16329 1 1086 . 1 1 109 109 GLN H H 1 7.748 0.005 19 1 . . . . 112 GLN H . 16329 1 1087 . 1 1 109 109 GLN HA H 1 3.899 0.014 8 1 . . . . 112 GLN HA . 16329 1 1088 . 1 1 109 109 GLN HB2 H 1 2.124 0.011 9 2 . . . . 112 GLN HB2 . 16329 1 1089 . 1 1 109 109 GLN HE21 H 1 7.312 0 1 2 . . . . 112 GLN HE21 . 16329 1 1090 . 1 1 109 109 GLN HE22 H 1 6.696 0 1 2 . . . . 112 GLN HE22 . 16329 1 1091 . 1 1 109 109 GLN HG2 H 1 2.461 0.006 7 2 . . . . 112 GLN HG2 . 16329 1 1092 . 1 1 109 109 GLN C C 13 175.912 0.016 2 1 . . . . 112 GLN C . 16329 1 1093 . 1 1 109 109 GLN CA C 13 56.982 0.014 6 1 . . . . 112 GLN CA . 16329 1 1094 . 1 1 109 109 GLN CB C 13 28.326 0.056 6 1 . . . . 112 GLN CB . 16329 1 1095 . 1 1 109 109 GLN CG C 13 34.567 0 3 1 . . . . 112 GLN CG . 16329 1 1096 . 1 1 109 109 GLN N N 15 118.007 0.023 17 1 . . . . 112 GLN N . 16329 1 1097 . 1 1 109 109 GLN NE2 N 15 112.291 0 2 1 . . . . 112 GLN NE2 . 16329 1 1098 . 1 1 110 110 LEU H H 1 7.389 0.006 22 1 . . . . 113 LEU H . 16329 1 1099 . 1 1 110 110 LEU HA H 1 4.221 0.012 9 1 . . . . 113 LEU HA . 16329 1 1100 . 1 1 110 110 LEU HB2 H 1 2.082 0.009 8 2 . . . . 113 LEU HB2 . 16329 1 1101 . 1 1 110 110 LEU HB3 H 1 1.537 0.012 9 2 . . . . 113 LEU HB3 . 16329 1 1102 . 1 1 110 110 LEU HD11 H 1 1.028 0.004 8 2 . . . . 113 LEU HD1 . 16329 1 1103 . 1 1 110 110 LEU HD12 H 1 1.028 0.004 8 2 . . . . 113 LEU HD1 . 16329 1 1104 . 1 1 110 110 LEU HD13 H 1 1.028 0.004 8 2 . . . . 113 LEU HD1 . 16329 1 1105 . 1 1 110 110 LEU HG H 1 1.018 0 1 1 . . . . 113 LEU HG . 16329 1 1106 . 1 1 110 110 LEU C C 13 176.751 0.026 3 1 . . . . 113 LEU C . 16329 1 1107 . 1 1 110 110 LEU CA C 13 55.832 0.045 7 1 . . . . 113 LEU CA . 16329 1 1108 . 1 1 110 110 LEU CB C 13 41.745 0.081 9 1 . . . . 113 LEU CB . 16329 1 1109 . 1 1 110 110 LEU CD1 C 13 21.372 0.003 4 2 . . . . 113 LEU CD1 . 16329 1 1110 . 1 1 110 110 LEU N N 15 116.870 0.038 19 1 . . . . 113 LEU N . 16329 1 1111 . 1 1 111 111 HIS H H 1 7.796 0.006 23 1 . . . . 114 HIS H . 16329 1 1112 . 1 1 111 111 HIS HA H 1 4.365 0.01 8 1 . . . . 114 HIS HA . 16329 1 1113 . 1 1 111 111 HIS HB2 H 1 3.340 0.007 7 2 . . . . 114 HIS HB2 . 16329 1 1114 . 1 1 111 111 HIS HB3 H 1 3.237 0.009 7 2 . . . . 114 HIS HB3 . 16329 1 1115 . 1 1 111 111 HIS C C 13 174.736 0.009 2 1 . . . . 114 HIS C . 16329 1 1116 . 1 1 111 111 HIS CA C 13 56.623 0.035 6 1 . . . . 114 HIS CA . 16329 1 1117 . 1 1 111 111 HIS CB C 13 26.611 0.056 9 1 . . . . 114 HIS CB . 16329 1 1118 . 1 1 111 111 HIS N N 15 113.693 0.069 20 1 . . . . 114 HIS N . 16329 1 1119 . 1 1 112 112 LEU H H 1 9.248 0.005 23 1 . . . . 115 LEU H . 16329 1 1120 . 1 1 112 112 LEU HA H 1 4.445 0.011 13 1 . . . . 115 LEU HA . 16329 1 1121 . 1 1 112 112 LEU HB2 H 1 1.831 0.003 14 2 . . . . 115 LEU HB2 . 16329 1 1122 . 1 1 112 112 LEU HB3 H 1 1.478 0.005 14 2 . . . . 115 LEU HB3 . 16329 1 1123 . 1 1 112 112 LEU HD11 H 1 1.636 0.005 12 2 . . . . 115 LEU HD1 . 16329 1 1124 . 1 1 112 112 LEU HD12 H 1 1.636 0.005 12 2 . . . . 115 LEU HD1 . 16329 1 1125 . 1 1 112 112 LEU HD13 H 1 1.636 0.005 12 2 . . . . 115 LEU HD1 . 16329 1 1126 . 1 1 112 112 LEU HD21 H 1 0.758 0.003 13 2 . . . . 115 LEU HD2 . 16329 1 1127 . 1 1 112 112 LEU HD22 H 1 0.758 0.003 13 2 . . . . 115 LEU HD2 . 16329 1 1128 . 1 1 112 112 LEU HD23 H 1 0.758 0.003 13 2 . . . . 115 LEU HD2 . 16329 1 1129 . 1 1 112 112 LEU HG H 1 0.910 0.006 12 1 . . . . 115 LEU HG . 16329 1 1130 . 1 1 112 112 LEU C C 13 177.506 0.025 3 1 . . . . 115 LEU C . 16329 1 1131 . 1 1 112 112 LEU CA C 13 53.914 0.02 9 1 . . . . 115 LEU CA . 16329 1 1132 . 1 1 112 112 LEU CB C 13 43.221 0.056 15 1 . . . . 115 LEU CB . 16329 1 1133 . 1 1 112 112 LEU CD1 C 13 26.824 0 11 2 . . . . 115 LEU CD1 . 16329 1 1134 . 1 1 112 112 LEU CG C 13 22.106 0.04 6 1 . . . . 115 LEU CG . 16329 1 1135 . 1 1 112 112 LEU N N 15 119.614 0.024 21 1 . . . . 115 LEU N . 16329 1 1136 . 1 1 113 113 ASP H H 1 8.070 0.007 21 1 . . . . 116 ASP H . 16329 1 1137 . 1 1 113 113 ASP HA H 1 4.559 0.021 11 1 . . . . 116 ASP HA . 16329 1 1138 . 1 1 113 113 ASP HB2 H 1 2.911 0.004 7 2 . . . . 116 ASP HB2 . 16329 1 1139 . 1 1 113 113 ASP HB3 H 1 2.741 0.004 7 2 . . . . 116 ASP HB3 . 16329 1 1140 . 1 1 113 113 ASP C C 13 176.378 0.01 3 1 . . . . 116 ASP C . 16329 1 1141 . 1 1 113 113 ASP CA C 13 54.338 0.04 6 1 . . . . 116 ASP CA . 16329 1 1142 . 1 1 113 113 ASP CB C 13 41.531 0.04 9 1 . . . . 116 ASP CB . 16329 1 1143 . 1 1 113 113 ASP N N 15 117.934 0.105 20 1 . . . . 116 ASP N . 16329 1 1144 . 1 1 114 114 LYS H H 1 8.518 0.006 20 1 . . . . 117 LYS H . 16329 1 1145 . 1 1 114 114 LYS HA H 1 3.924 0.012 12 1 . . . . 117 LYS HA . 16329 1 1146 . 1 1 114 114 LYS HB2 H 1 1.917 0.011 14 2 . . . . 117 LYS HB2 . 16329 1 1147 . 1 1 114 114 LYS HB3 H 1 1.834 0.005 9 2 . . . . 117 LYS HB3 . 16329 1 1148 . 1 1 114 114 LYS HD2 H 1 1.708 0.002 11 2 . . . . 117 LYS HD2 . 16329 1 1149 . 1 1 114 114 LYS HE2 H 1 3.038 0.002 11 2 . . . . 117 LYS HE2 . 16329 1 1150 . 1 1 114 114 LYS HG2 H 1 1.527 0 1 2 . . . . 117 LYS HG2 . 16329 1 1151 . 1 1 114 114 LYS C C 13 178.372 0.04 3 1 . . . . 117 LYS C . 16329 1 1152 . 1 1 114 114 LYS CA C 13 59.229 0.006 8 1 . . . . 117 LYS CA . 16329 1 1153 . 1 1 114 114 LYS CB C 13 32.353 0.047 14 1 . . . . 117 LYS CB . 16329 1 1154 . 1 1 114 114 LYS CD C 13 28.355 0 5 1 . . . . 117 LYS CD . 16329 1 1155 . 1 1 114 114 LYS CE C 13 42.181 0 5 1 . . . . 117 LYS CE . 16329 1 1156 . 1 1 114 114 LYS CG C 13 24.110 0 5 1 . . . . 117 LYS CG . 16329 1 1157 . 1 1 114 114 LYS N N 15 122.036 0.036 18 1 . . . . 117 LYS N . 16329 1 1158 . 1 1 115 115 GLU H H 1 8.346 0.004 22 1 . . . . 118 GLU H . 16329 1 1159 . 1 1 115 115 GLU HA H 1 4.102 0.008 10 1 . . . . 118 GLU HA . 16329 1 1160 . 1 1 115 115 GLU HB2 H 1 2.130 0.005 10 2 . . . . 118 GLU HB2 . 16329 1 1161 . 1 1 115 115 GLU HB3 H 1 2.055 0.008 10 2 . . . . 118 GLU HB3 . 16329 1 1162 . 1 1 115 115 GLU HG2 H 1 2.311 0.009 10 2 . . . . 118 GLU HG2 . 16329 1 1163 . 1 1 115 115 GLU C C 13 179.523 0.021 3 1 . . . . 118 GLU C . 16329 1 1164 . 1 1 115 115 GLU CA C 13 59.848 0.065 7 1 . . . . 118 GLU CA . 16329 1 1165 . 1 1 115 115 GLU CB C 13 29.215 0.048 11 1 . . . . 118 GLU CB . 16329 1 1166 . 1 1 115 115 GLU CG C 13 36.705 0 4 1 . . . . 118 GLU CG . 16329 1 1167 . 1 1 115 115 GLU N N 15 117.821 0.023 20 1 . . . . 118 GLU N . 16329 1 1168 . 1 1 116 116 THR H H 1 8.029 0.005 26 1 . . . . 119 THR H . 16329 1 1169 . 1 1 116 116 THR HA H 1 4.118 0.015 9 1 . . . . 119 THR HA . 16329 1 1170 . 1 1 116 116 THR HB H 1 3.723 0.012 3 1 . . . . 119 THR HB . 16329 1 1171 . 1 1 116 116 THR HG1 H 1 5.995 0 1 1 . . . . 119 THR HG1 . 16329 1 1172 . 1 1 116 116 THR HG21 H 1 1.327 0.008 8 1 . . . . 119 THR HG2 . 16329 1 1173 . 1 1 116 116 THR HG22 H 1 1.327 0.008 8 1 . . . . 119 THR HG2 . 16329 1 1174 . 1 1 116 116 THR HG23 H 1 1.327 0.008 8 1 . . . . 119 THR HG2 . 16329 1 1175 . 1 1 116 116 THR C C 13 175.603 0.007 2 1 . . . . 119 THR C . 16329 1 1176 . 1 1 116 116 THR CA C 13 67.325 0.072 6 1 . . . . 119 THR CA . 16329 1 1177 . 1 1 116 116 THR CG2 C 13 23.053 0 4 1 . . . . 119 THR CG . 16329 1 1178 . 1 1 116 116 THR N N 15 119.578 0.029 22 1 . . . . 119 THR N . 16329 1 1179 . 1 1 117 117 GLU H H 1 8.485 0.005 18 1 . . . . 120 GLU H . 16329 1 1180 . 1 1 117 117 GLU HA H 1 3.558 0.003 8 1 . . . . 120 GLU HA . 16329 1 1181 . 1 1 117 117 GLU HB2 H 1 2.087 0.013 7 2 . . . . 120 GLU HB2 . 16329 1 1182 . 1 1 117 117 GLU HG2 H 1 1.972 0.006 6 2 . . . . 120 GLU HG2 . 16329 1 1183 . 1 1 117 117 GLU C C 13 177.173 0.033 3 1 . . . . 120 GLU C . 16329 1 1184 . 1 1 117 117 GLU CA C 13 60.979 0.034 6 1 . . . . 120 GLU CA . 16329 1 1185 . 1 1 117 117 GLU CB C 13 31.514 0.068 6 1 . . . . 120 GLU CB . 16329 1 1186 . 1 1 117 117 GLU CG C 13 37.886 0 3 1 . . . . 120 GLU CG . 16329 1 1187 . 1 1 117 117 GLU N N 15 121.756 0.03 16 1 . . . . 120 GLU N . 16329 1 1188 . 1 1 118 118 ASN H H 1 8.223 0.006 22 1 . . . . 121 ASN H . 16329 1 1189 . 1 1 118 118 ASN HA H 1 4.384 0.008 8 1 . . . . 121 ASN HA . 16329 1 1190 . 1 1 118 118 ASN HB2 H 1 2.915 0.011 9 2 . . . . 121 ASN HB2 . 16329 1 1191 . 1 1 118 118 ASN HB3 H 1 2.712 0.01 9 2 . . . . 121 ASN HB3 . 16329 1 1192 . 1 1 118 118 ASN HD21 H 1 8.238 0 1 2 . . . . 121 ASN HD21 . 16329 1 1193 . 1 1 118 118 ASN HD22 H 1 6.191 0 1 2 . . . . 121 ASN HD22 . 16329 1 1194 . 1 1 118 118 ASN C C 13 177.707 0.109 3 1 . . . . 121 ASN C . 16329 1 1195 . 1 1 118 118 ASN CA C 13 55.981 0.07 6 1 . . . . 121 ASN CA . 16329 1 1196 . 1 1 118 118 ASN CB C 13 38.524 0.043 9 1 . . . . 121 ASN CB . 16329 1 1197 . 1 1 118 118 ASN N N 15 114.342 0.031 20 1 . . . . 121 ASN N . 16329 1 1198 . 1 1 118 118 ASN ND2 N 15 107.436 0.017 2 1 . . . . 121 ASN ND2 . 16329 1 1199 . 1 1 119 119 LYS H H 1 7.796 0.004 24 1 . . . . 122 LYS H . 16329 1 1200 . 1 1 119 119 LYS HA H 1 3.844 0.01 14 1 . . . . 122 LYS HA . 16329 1 1201 . 1 1 119 119 LYS HB2 H 1 1.674 0.008 14 2 . . . . 122 LYS HB2 . 16329 1 1202 . 1 1 119 119 LYS HB3 H 1 1.317 0.005 13 2 . . . . 122 LYS HB3 . 16329 1 1203 . 1 1 119 119 LYS HD2 H 1 1.435 0.003 12 2 . . . . 122 LYS HD2 . 16329 1 1204 . 1 1 119 119 LYS HD3 H 1 1.223 0.002 3 2 . . . . 122 LYS HD3 . 16329 1 1205 . 1 1 119 119 LYS HE2 H 1 2.736 0.001 5 2 . . . . 122 LYS HE2 . 16329 1 1206 . 1 1 119 119 LYS HG3 H 1 1.012 0.004 12 2 . . . . 122 LYS HG3 . 16329 1 1207 . 1 1 119 119 LYS C C 13 178.743 0 1 1 . . . . 122 LYS C . 16329 1 1208 . 1 1 119 119 LYS CA C 13 60.003 0.033 10 1 . . . . 122 LYS CA . 16329 1 1209 . 1 1 119 119 LYS CB C 13 32.329 0.04 15 1 . . . . 122 LYS CB . 16329 1 1210 . 1 1 119 119 LYS CD C 13 29.760 0 7 1 . . . . 122 LYS CD . 16329 1 1211 . 1 1 119 119 LYS CG C 13 24.666 0 7 1 . . . . 122 LYS CG . 16329 1 1212 . 1 1 119 119 LYS N N 15 120.556 0.053 22 1 . . . . 122 LYS N . 16329 1 1213 . 1 1 120 120 ILE H H 1 7.870 0.006 20 1 . . . . 123 ILE H . 16329 1 1214 . 1 1 120 120 ILE HA H 1 3.530 0.013 10 1 . . . . 123 ILE HA . 16329 1 1215 . 1 1 120 120 ILE HB H 1 1.894 0.008 12 1 . . . . 123 ILE HB . 16329 1 1216 . 1 1 120 120 ILE HD11 H 1 0.788 0.003 12 1 . . . . 123 ILE HD1 . 16329 1 1217 . 1 1 120 120 ILE HD12 H 1 0.788 0.003 12 1 . . . . 123 ILE HD1 . 16329 1 1218 . 1 1 120 120 ILE HD13 H 1 0.788 0.003 12 1 . . . . 123 ILE HD1 . 16329 1 1219 . 1 1 120 120 ILE HG12 H 1 1.649 0.391 7 2 . . . . 123 ILE HG12 . 16329 1 1220 . 1 1 120 120 ILE HG13 H 1 1.048 0.007 9 2 . . . . 123 ILE HG13 . 16329 1 1221 . 1 1 120 120 ILE HG21 H 1 0.936 0.005 12 1 . . . . 123 ILE HG2 . 16329 1 1222 . 1 1 120 120 ILE HG22 H 1 0.936 0.005 12 1 . . . . 123 ILE HG2 . 16329 1 1223 . 1 1 120 120 ILE HG23 H 1 0.936 0.005 12 1 . . . . 123 ILE HG2 . 16329 1 1224 . 1 1 120 120 ILE C C 13 176.838 0 1 1 . . . . 123 ILE C . 16329 1 1225 . 1 1 120 120 ILE CA C 13 66.304 0.022 8 1 . . . . 123 ILE CA . 16329 1 1226 . 1 1 120 120 ILE CB C 13 38.879 0.016 8 1 . . . . 123 ILE CB . 16329 1 1227 . 1 1 120 120 ILE CD1 C 13 16.009 0.026 4 1 . . . . 123 ILE CD1 . 16329 1 1228 . 1 1 120 120 ILE CG1 C 13 30.709 0.013 8 1 . . . . 123 ILE CG1 . 16329 1 1229 . 1 1 120 120 ILE CG2 C 13 18.292 0.009 5 1 . . . . 123 ILE CG2 . 16329 1 1230 . 1 1 120 120 ILE N N 15 119.991 0.08 19 1 . . . . 123 ILE N . 16329 1 1231 . 1 1 121 121 ILE H H 1 7.830 0.005 17 1 . . . . 124 ILE H . 16329 1 1232 . 1 1 121 121 ILE HA H 1 3.863 0.005 11 1 . . . . 124 ILE HA . 16329 1 1233 . 1 1 121 121 ILE HB H 1 1.838 0.006 13 1 . . . . 124 ILE HB . 16329 1 1234 . 1 1 121 121 ILE HD11 H 1 0.867 0.005 12 1 . . . . 124 ILE HD1 . 16329 1 1235 . 1 1 121 121 ILE HD12 H 1 0.867 0.005 12 1 . . . . 124 ILE HD1 . 16329 1 1236 . 1 1 121 121 ILE HD13 H 1 0.867 0.005 12 1 . . . . 124 ILE HD1 . 16329 1 1237 . 1 1 121 121 ILE HG12 H 1 2.029 0.007 13 2 . . . . 124 ILE HG12 . 16329 1 1238 . 1 1 121 121 ILE HG13 H 1 1.269 0.014 12 2 . . . . 124 ILE HG13 . 16329 1 1239 . 1 1 121 121 ILE HG21 H 1 0.919 0.005 13 1 . . . . 124 ILE HG2 . 16329 1 1240 . 1 1 121 121 ILE HG22 H 1 0.919 0.005 13 1 . . . . 124 ILE HG2 . 16329 1 1241 . 1 1 121 121 ILE HG23 H 1 0.919 0.005 13 1 . . . . 124 ILE HG2 . 16329 1 1242 . 1 1 121 121 ILE C C 13 176.257 0.016 3 1 . . . . 124 ILE C . 16329 1 1243 . 1 1 121 121 ILE CA C 13 65.537 0.086 8 1 . . . . 124 ILE CA . 16329 1 1244 . 1 1 121 121 ILE CB C 13 38.455 0.066 9 1 . . . . 124 ILE CB . 16329 1 1245 . 1 1 121 121 ILE CD1 C 13 13.675 0 5 1 . . . . 124 ILE CD1 . 16329 1 1246 . 1 1 121 121 ILE CG1 C 13 31.254 0.058 12 1 . . . . 124 ILE CG1 . 16329 1 1247 . 1 1 121 121 ILE CG2 C 13 16.722 0 6 1 . . . . 124 ILE CG2 . 16329 1 1248 . 1 1 121 121 ILE N N 15 117.775 0.018 16 1 . . . . 124 ILE N . 16329 1 1249 . 1 1 122 122 LYS H H 1 7.754 0.007 16 1 . . . . 125 LYS H . 16329 1 1250 . 1 1 122 122 LYS HA H 1 3.953 0.016 14 1 . . . . 125 LYS HA . 16329 1 1251 . 1 1 122 122 LYS HB2 H 1 2.180 0.005 12 2 . . . . 125 LYS HB2 . 16329 1 1252 . 1 1 122 122 LYS HB3 H 1 2.065 0.005 13 2 . . . . 125 LYS HB3 . 16329 1 1253 . 1 1 122 122 LYS HD2 H 1 1.689 0.007 15 2 . . . . 125 LYS HD2 . 16329 1 1254 . 1 1 122 122 LYS HE2 H 1 2.941 0.005 13 2 . . . . 125 LYS HE2 . 16329 1 1255 . 1 1 122 122 LYS HG2 H 1 1.579 0.009 13 2 . . . . 125 LYS HG2 . 16329 1 1256 . 1 1 122 122 LYS HG3 H 1 1.223 0.004 13 2 . . . . 125 LYS HG3 . 16329 1 1257 . 1 1 122 122 LYS C C 13 180.569 0.024 2 1 . . . . 125 LYS C . 16329 1 1258 . 1 1 122 122 LYS CA C 13 58.801 0.009 7 1 . . . . 125 LYS CA . 16329 1 1259 . 1 1 122 122 LYS CB C 13 32.305 0.249 16 1 . . . . 125 LYS CB . 16329 1 1260 . 1 1 122 122 LYS CD C 13 29.187 0.031 8 1 . . . . 125 LYS CD . 16329 1 1261 . 1 1 122 122 LYS CE C 13 42.032 0 6 1 . . . . 125 LYS CE . 16329 1 1262 . 1 1 122 122 LYS CG C 13 24.833 0 14 1 . . . . 125 LYS CG . 16329 1 1263 . 1 1 122 122 LYS N N 15 114.281 0.045 14 1 . . . . 125 LYS N . 16329 1 1264 . 1 1 123 123 ASP H H 1 8.350 0.006 22 1 . . . . 126 ASP H . 16329 1 1265 . 1 1 123 123 ASP HA H 1 4.339 0.006 8 1 . . . . 126 ASP HA . 16329 1 1266 . 1 1 123 123 ASP HB2 H 1 3.344 0.005 8 2 . . . . 126 ASP HB2 . 16329 1 1267 . 1 1 123 123 ASP HB3 H 1 2.883 0.004 7 2 . . . . 126 ASP HB3 . 16329 1 1268 . 1 1 123 123 ASP C C 13 180.632 0.007 2 1 . . . . 126 ASP C . 16329 1 1269 . 1 1 123 123 ASP CA C 13 59.146 0.074 5 1 . . . . 126 ASP CA . 16329 1 1270 . 1 1 123 123 ASP CB C 13 44.544 0.024 11 1 . . . . 126 ASP CB . 16329 1 1271 . 1 1 123 123 ASP N N 15 121.206 0.034 19 1 . . . . 126 ASP N . 16329 1 1272 . 1 1 124 124 TYR H H 1 7.954 0.007 23 1 . . . . 127 TYR H . 16329 1 1273 . 1 1 124 124 TYR HB3 H 1 2.103 0 1 2 . . . . 127 TYR HB3 . 16329 1 1274 . 1 1 124 124 TYR HD1 H 1 7.134 0 1 3 . . . . 127 TYR HD1 . 16329 1 1275 . 1 1 124 124 TYR HD2 H 1 7.006 0 1 3 . . . . 127 TYR HD2 . 16329 1 1276 . 1 1 124 124 TYR HE1 H 1 6.603 0 1 3 . . . . 127 TYR HE1 . 16329 1 1277 . 1 1 124 124 TYR HE2 H 1 6.576 0 1 3 . . . . 127 TYR HE2 . 16329 1 1278 . 1 1 124 124 TYR CA C 13 59.858 0 1 1 . . . . 127 TYR CA . 16329 1 1279 . 1 1 124 124 TYR CB C 13 37.012 0 1 1 . . . . 127 TYR CB . 16329 1 1280 . 1 1 124 124 TYR N N 15 115.316 0.107 21 1 . . . . 127 TYR N . 16329 1 1281 . 1 1 125 125 LYS HA H 1 4.109 0.005 6 1 . . . . 128 LYS HA . 16329 1 1282 . 1 1 125 125 LYS HB2 H 1 1.934 0.012 7 2 . . . . 128 LYS HB2 . 16329 1 1283 . 1 1 125 125 LYS HB3 H 1 1.464 0.008 7 2 . . . . 128 LYS HB3 . 16329 1 1284 . 1 1 125 125 LYS C C 13 176.852 0 1 1 . . . . 128 LYS C . 16329 1 1285 . 1 1 125 125 LYS CA C 13 56.585 0.068 5 1 . . . . 128 LYS CA . 16329 1 1286 . 1 1 125 125 LYS CB C 13 34.358 0.031 8 1 . . . . 128 LYS CB . 16329 1 1287 . 1 1 126 126 THR H H 1 7.485 0.005 16 1 . . . . 129 THR H . 16329 1 1288 . 1 1 126 126 THR HA H 1 4.010 0.003 6 1 . . . . 129 THR HA . 16329 1 1289 . 1 1 126 126 THR HB H 1 4.081 0 2 1 . . . . 129 THR HB . 16329 1 1290 . 1 1 126 126 THR HG21 H 1 1.070 0.001 2 1 . . . . 129 THR HG2 . 16329 1 1291 . 1 1 126 126 THR HG22 H 1 1.070 0.001 2 1 . . . . 129 THR HG2 . 16329 1 1292 . 1 1 126 126 THR HG23 H 1 1.070 0.001 2 1 . . . . 129 THR HG2 . 16329 1 1293 . 1 1 126 126 THR CA C 13 63.206 0.011 4 1 . . . . 129 THR CA . 16329 1 1294 . 1 1 126 126 THR CB C 13 70.043 0 1 1 . . . . 129 THR CB . 16329 1 1295 . 1 1 126 126 THR N N 15 119.006 0.032 15 1 . . . . 129 THR N . 16329 1 1296 . 1 1 129 129 SER C C 13 174.728 0 1 1 . . . . 132 SER C . 16329 1 1297 . 1 1 129 129 SER CA C 13 57.547 0.017 2 1 . . . . 132 SER CA . 16329 1 1298 . 1 1 129 129 SER CB C 13 65.061 0.032 2 1 . . . . 132 SER CB . 16329 1 1299 . 1 1 130 130 LYS H H 1 9.526 0.004 12 1 . . . . 133 LYS H . 16329 1 1300 . 1 1 130 130 LYS C C 13 180.714 0.032 2 1 . . . . 133 LYS C . 16329 1 1301 . 1 1 130 130 LYS CA C 13 60.898 0.027 3 1 . . . . 133 LYS CA . 16329 1 1302 . 1 1 130 130 LYS CB C 13 32.559 0.119 2 1 . . . . 133 LYS CB . 16329 1 1303 . 1 1 130 130 LYS N N 15 119.194 0.042 11 1 . . . . 133 LYS N . 16329 1 1304 . 1 1 131 131 SER H H 1 8.830 0.004 12 1 . . . . 134 SER H . 16329 1 1305 . 1 1 131 131 SER CA C 13 63.383 0 1 1 . . . . 134 SER CA . 16329 1 1306 . 1 1 131 131 SER N N 15 117.002 0.039 10 1 . . . . 134 SER N . 16329 1 1307 . 1 1 132 132 TRP H H 1 8.205 0.003 9 1 . . . . 135 TRP H . 16329 1 1308 . 1 1 132 132 TRP HE1 H 1 10.094 0 1 1 . . . . 135 TRP HE1 . 16329 1 1309 . 1 1 132 132 TRP C C 13 180.342 0 1 1 . . . . 135 TRP C . 16329 1 1310 . 1 1 132 132 TRP CA C 13 61.852 0 1 1 . . . . 135 TRP CA . 16329 1 1311 . 1 1 132 132 TRP CB C 13 28.007 0 1 1 . . . . 135 TRP CB . 16329 1 1312 . 1 1 132 132 TRP N N 15 126.973 0.033 7 1 . . . . 135 TRP N . 16329 1 1313 . 1 1 132 132 TRP NE1 N 15 129.502 0 1 1 . . . . 135 TRP NE1 . 16329 1 1314 . 1 1 133 133 LYS H H 1 8.628 0.011 7 1 . . . . 136 LYS H . 16329 1 1315 . 1 1 133 133 LYS HA H 1 4.142 0.003 13 1 . . . . 136 LYS HA . 16329 1 1316 . 1 1 133 133 LYS HB2 H 1 1.943 0.015 10 2 . . . . 136 LYS HB2 . 16329 1 1317 . 1 1 133 133 LYS HD2 H 1 1.732 0.022 8 2 . . . . 136 LYS HD2 . 16329 1 1318 . 1 1 133 133 LYS HG2 H 1 1.240 0.002 9 2 . . . . 136 LYS HG2 . 16329 1 1319 . 1 1 133 133 LYS HG3 H 1 0.814 0.005 9 2 . . . . 136 LYS HG3 . 16329 1 1320 . 1 1 133 133 LYS C C 13 179.774 0 1 1 . . . . 136 LYS C . 16329 1 1321 . 1 1 133 133 LYS CA C 13 59.501 0.022 8 1 . . . . 136 LYS CA . 16329 1 1322 . 1 1 133 133 LYS CB C 13 32.536 0.049 7 1 . . . . 136 LYS CB . 16329 1 1323 . 1 1 133 133 LYS CD C 13 29.315 0 3 1 . . . . 136 LYS CD . 16329 1 1324 . 1 1 133 133 LYS CG C 13 25.823 0 10 1 . . . . 136 LYS CG . 16329 1 1325 . 1 1 133 133 LYS N N 15 118.486 0 4 1 . . . . 136 LYS N . 16329 1 1326 . 1 1 134 134 ALA H H 1 8.180 0.004 19 1 . . . . 137 ALA H . 16329 1 1327 . 1 1 134 134 ALA HA H 1 3.883 0.003 5 1 . . . . 137 ALA HA . 16329 1 1328 . 1 1 134 134 ALA HB1 H 1 1.013 0.008 6 1 . . . . 137 ALA HB . 16329 1 1329 . 1 1 134 134 ALA HB2 H 1 1.013 0.008 6 1 . . . . 137 ALA HB . 16329 1 1330 . 1 1 134 134 ALA HB3 H 1 1.013 0.008 6 1 . . . . 137 ALA HB . 16329 1 1331 . 1 1 134 134 ALA C C 13 179.474 0.049 3 1 . . . . 137 ALA C . 16329 1 1332 . 1 1 134 134 ALA CA C 13 55.206 0.036 5 1 . . . . 137 ALA CA . 16329 1 1333 . 1 1 134 134 ALA CB C 13 17.757 0.038 5 1 . . . . 137 ALA CB . 16329 1 1334 . 1 1 134 134 ALA N N 15 124.234 0.051 16 1 . . . . 137 ALA N . 16329 1 1335 . 1 1 135 135 ALA H H 1 7.714 0.004 20 1 . . . . 138 ALA H . 16329 1 1336 . 1 1 135 135 ALA HA H 1 3.888 0.021 7 1 . . . . 138 ALA HA . 16329 1 1337 . 1 1 135 135 ALA HB1 H 1 1.466 0.007 6 1 . . . . 138 ALA HB . 16329 1 1338 . 1 1 135 135 ALA HB2 H 1 1.466 0.007 6 1 . . . . 138 ALA HB . 16329 1 1339 . 1 1 135 135 ALA HB3 H 1 1.466 0.007 6 1 . . . . 138 ALA HB . 16329 1 1340 . 1 1 135 135 ALA C C 13 181.035 0.001 2 1 . . . . 138 ALA C . 16329 1 1341 . 1 1 135 135 ALA CA C 13 55.184 0.11 5 1 . . . . 138 ALA CA . 16329 1 1342 . 1 1 135 135 ALA CB C 13 18.752 0.066 4 1 . . . . 138 ALA CB . 16329 1 1343 . 1 1 135 135 ALA N N 15 119.867 0.028 18 1 . . . . 138 ALA N . 16329 1 1344 . 1 1 136 136 GLU H H 1 7.441 0.004 13 1 . . . . 139 GLU H . 16329 1 1345 . 1 1 136 136 GLU HA H 1 4.030 0.004 8 1 . . . . 139 GLU HA . 16329 1 1346 . 1 1 136 136 GLU HB2 H 1 2.148 0.002 8 2 . . . . 139 GLU HB2 . 16329 1 1347 . 1 1 136 136 GLU HG2 H 1 2.469 0.002 8 2 . . . . 139 GLU HG2 . 16329 1 1348 . 1 1 136 136 GLU HG3 H 1 2.345 0.008 8 2 . . . . 139 GLU HG3 . 16329 1 1349 . 1 1 136 136 GLU C C 13 179.551 0.08 3 1 . . . . 139 GLU C . 16329 1 1350 . 1 1 136 136 GLU CA C 13 59.149 0.083 7 1 . . . . 139 GLU CA . 16329 1 1351 . 1 1 136 136 GLU CB C 13 29.592 0.01 7 1 . . . . 139 GLU CB . 16329 1 1352 . 1 1 136 136 GLU CG C 13 36.055 0 8 1 . . . . 139 GLU CG . 16329 1 1353 . 1 1 136 136 GLU N N 15 117.304 0.021 12 1 . . . . 139 GLU N . 16329 1 1354 . 1 1 137 137 LYS H H 1 8.136 0.006 21 1 . . . . 140 LYS H . 16329 1 1355 . 1 1 137 137 LYS HA H 1 4.056 0.006 13 1 . . . . 140 LYS HA . 16329 1 1356 . 1 1 137 137 LYS HB2 H 1 2.054 0.012 14 2 . . . . 140 LYS HB2 . 16329 1 1357 . 1 1 137 137 LYS HB3 H 1 1.849 0.006 14 2 . . . . 140 LYS HB3 . 16329 1 1358 . 1 1 137 137 LYS HD2 H 1 1.681 0.007 12 2 . . . . 140 LYS HD2 . 16329 1 1359 . 1 1 137 137 LYS HE2 H 1 2.918 0.003 12 2 . . . . 140 LYS HE2 . 16329 1 1360 . 1 1 137 137 LYS HG2 H 1 1.468 0.003 13 2 . . . . 140 LYS HG2 . 16329 1 1361 . 1 1 137 137 LYS C C 13 178.349 0.006 2 1 . . . . 140 LYS C . 16329 1 1362 . 1 1 137 137 LYS CA C 13 59.410 0.048 9 1 . . . . 140 LYS CA . 16329 1 1363 . 1 1 137 137 LYS CB C 13 31.598 0.044 15 1 . . . . 140 LYS CB . 16329 1 1364 . 1 1 137 137 LYS CD C 13 29.319 0 6 1 . . . . 140 LYS CD . 16329 1 1365 . 1 1 137 137 LYS CE C 13 42.154 0 6 1 . . . . 140 LYS CE . 16329 1 1366 . 1 1 137 137 LYS CG C 13 24.812 0 6 1 . . . . 140 LYS CG . 16329 1 1367 . 1 1 137 137 LYS N N 15 123.166 0.029 18 1 . . . . 140 LYS N . 16329 1 1368 . 1 1 138 138 ASP H H 1 7.499 0.007 20 1 . . . . 141 ASP H . 16329 1 1369 . 1 1 138 138 ASP HA H 1 4.354 0.003 6 1 . . . . 141 ASP HA . 16329 1 1370 . 1 1 138 138 ASP HB2 H 1 2.917 0.007 8 2 . . . . 141 ASP HB2 . 16329 1 1371 . 1 1 138 138 ASP HB3 H 1 2.811 0.006 6 2 . . . . 141 ASP HB3 . 16329 1 1372 . 1 1 138 138 ASP C C 13 178.006 0.139 3 1 . . . . 141 ASP C . 16329 1 1373 . 1 1 138 138 ASP CA C 13 57.374 0.007 6 1 . . . . 141 ASP CA . 16329 1 1374 . 1 1 138 138 ASP CB C 13 41.847 0.146 9 1 . . . . 141 ASP CB . 16329 1 1375 . 1 1 138 138 ASP N N 15 120.660 0.024 17 1 . . . . 141 ASP N . 16329 1 1376 . 1 1 139 139 LYS H H 1 6.770 0.006 21 1 . . . . 142 LYS H . 16329 1 1377 . 1 1 139 139 LYS HA H 1 3.799 0.005 12 1 . . . . 142 LYS HA . 16329 1 1378 . 1 1 139 139 LYS HB2 H 1 1.963 0.005 10 2 . . . . 142 LYS HB2 . 16329 1 1379 . 1 1 139 139 LYS HD2 H 1 1.802 0.004 10 2 . . . . 142 LYS HD2 . 16329 1 1380 . 1 1 139 139 LYS HE2 H 1 3.037 0.01 10 2 . . . . 142 LYS HE2 . 16329 1 1381 . 1 1 139 139 LYS HG2 H 1 1.550 0.01 11 2 . . . . 142 LYS HG2 . 16329 1 1382 . 1 1 139 139 LYS C C 13 179.559 0.045 3 1 . . . . 142 LYS C . 16329 1 1383 . 1 1 139 139 LYS CA C 13 60.382 0.031 8 1 . . . . 142 LYS CA . 16329 1 1384 . 1 1 139 139 LYS CB C 13 32.023 0.033 8 1 . . . . 142 LYS CB . 16329 1 1385 . 1 1 139 139 LYS CD C 13 30.001 0 5 1 . . . . 142 LYS CD . 16329 1 1386 . 1 1 139 139 LYS CE C 13 41.744 0 4 1 . . . . 142 LYS CE . 16329 1 1387 . 1 1 139 139 LYS CG C 13 25.006 0 5 1 . . . . 142 LYS CG . 16329 1 1388 . 1 1 139 139 LYS N N 15 114.590 0.03 19 1 . . . . 142 LYS N . 16329 1 1389 . 1 1 140 140 LYS H H 1 7.318 0.004 25 1 . . . . 143 LYS H . 16329 1 1390 . 1 1 140 140 LYS HA H 1 4.051 0.011 14 1 . . . . 143 LYS HA . 16329 1 1391 . 1 1 140 140 LYS HB2 H 1 2.124 0.048 15 2 . . . . 143 LYS HB2 . 16329 1 1392 . 1 1 140 140 LYS HB3 H 1 1.936 0.004 11 2 . . . . 143 LYS HB3 . 16329 1 1393 . 1 1 140 140 LYS HD2 H 1 1.690 0.004 8 2 . . . . 143 LYS HD2 . 16329 1 1394 . 1 1 140 140 LYS HE2 H 1 3.003 0.008 13 2 . . . . 143 LYS HE2 . 16329 1 1395 . 1 1 140 140 LYS HG2 H 1 1.452 0.009 13 2 . . . . 143 LYS HG2 . 16329 1 1396 . 1 1 140 140 LYS C C 13 177.551 0.029 3 1 . . . . 143 LYS C . 16329 1 1397 . 1 1 140 140 LYS CA C 13 59.299 0.015 9 1 . . . . 143 LYS CA . 16329 1 1398 . 1 1 140 140 LYS CB C 13 32.494 0.036 15 1 . . . . 143 LYS CB . 16329 1 1399 . 1 1 140 140 LYS CD C 13 29.105 0 3 1 . . . . 143 LYS CD . 16329 1 1400 . 1 1 140 140 LYS CE C 13 42.175 0 6 1 . . . . 143 LYS CE . 16329 1 1401 . 1 1 140 140 LYS CG C 13 24.793 0 6 1 . . . . 143 LYS CG . 16329 1 1402 . 1 1 140 140 LYS N N 15 121.383 0.054 21 1 . . . . 143 LYS N . 16329 1 1403 . 1 1 141 141 ILE H H 1 8.507 0.004 23 1 . . . . 144 ILE H . 16329 1 1404 . 1 1 141 141 ILE HA H 1 3.711 0.012 10 1 . . . . 144 ILE HA . 16329 1 1405 . 1 1 141 141 ILE HB H 1 1.950 0.004 11 1 . . . . 144 ILE HB . 16329 1 1406 . 1 1 141 141 ILE HD11 H 1 0.839 0.003 10 1 . . . . 144 ILE HD1 . 16329 1 1407 . 1 1 141 141 ILE HD12 H 1 0.839 0.003 10 1 . . . . 144 ILE HD1 . 16329 1 1408 . 1 1 141 141 ILE HD13 H 1 0.839 0.003 10 1 . . . . 144 ILE HD1 . 16329 1 1409 . 1 1 141 141 ILE HG12 H 1 1.849 0.004 8 2 . . . . 144 ILE HG12 . 16329 1 1410 . 1 1 141 141 ILE HG21 H 1 0.978 0.26 12 1 . . . . 144 ILE HG2 . 16329 1 1411 . 1 1 141 141 ILE HG22 H 1 0.978 0.26 12 1 . . . . 144 ILE HG2 . 16329 1 1412 . 1 1 141 141 ILE HG23 H 1 0.978 0.26 12 1 . . . . 144 ILE HG2 . 16329 1 1413 . 1 1 141 141 ILE C C 13 179.194 0.107 2 1 . . . . 144 ILE C . 16329 1 1414 . 1 1 141 141 ILE CA C 13 65.399 0.018 7 1 . . . . 144 ILE CA . 16329 1 1415 . 1 1 141 141 ILE CB C 13 38.083 0.033 8 1 . . . . 144 ILE CB . 16329 1 1416 . 1 1 141 141 ILE CD1 C 13 13.027 0 5 1 . . . . 144 ILE CD . 16329 1 1417 . 1 1 141 141 ILE CG1 C 13 29.737 0 4 1 . . . . 144 ILE CG1 . 16329 1 1418 . 1 1 141 141 ILE CG2 C 13 17.852 0 5 1 . . . . 144 ILE CG2 . 16329 1 1419 . 1 1 141 141 ILE N N 15 120.764 0.045 20 1 . . . . 144 ILE N . 16329 1 1420 . 1 1 142 142 ALA H H 1 7.872 0.008 19 1 . . . . 145 ALA H . 16329 1 1421 . 1 1 142 142 ALA HA H 1 3.899 0.006 5 1 . . . . 145 ALA HA . 16329 1 1422 . 1 1 142 142 ALA HB1 H 1 1.400 0.005 5 1 . . . . 145 ALA HB . 16329 1 1423 . 1 1 142 142 ALA HB2 H 1 1.400 0.005 5 1 . . . . 145 ALA HB . 16329 1 1424 . 1 1 142 142 ALA HB3 H 1 1.400 0.005 5 1 . . . . 145 ALA HB . 16329 1 1425 . 1 1 142 142 ALA C C 13 178.694 0.076 3 1 . . . . 145 ALA C . 16329 1 1426 . 1 1 142 142 ALA CA C 13 55.684 0.068 5 1 . . . . 145 ALA CA . 16329 1 1427 . 1 1 142 142 ALA CB C 13 18.666 0.064 5 1 . . . . 145 ALA CB . 16329 1 1428 . 1 1 142 142 ALA N N 15 119.775 0.057 17 1 . . . . 145 ALA N . 16329 1 1429 . 1 1 143 143 LYS H H 1 7.570 0.006 21 1 . . . . 146 LYS H . 16329 1 1430 . 1 1 143 143 LYS HA H 1 4.001 0.02 13 1 . . . . 146 LYS HA . 16329 1 1431 . 1 1 143 143 LYS HB2 H 1 1.925 0.008 12 2 . . . . 146 LYS HB2 . 16329 1 1432 . 1 1 143 143 LYS HD2 H 1 1.685 0.004 12 2 . . . . 146 LYS HD2 . 16329 1 1433 . 1 1 143 143 LYS HE2 H 1 3.000 0.003 10 2 . . . . 146 LYS HE2 . 16329 1 1434 . 1 1 143 143 LYS HG2 H 1 1.435 0.008 13 2 . . . . 146 LYS HG2 . 16329 1 1435 . 1 1 143 143 LYS C C 13 181.004 0.021 3 1 . . . . 146 LYS C . 16329 1 1436 . 1 1 143 143 LYS CA C 13 59.487 0.016 8 1 . . . . 146 LYS CA . 16329 1 1437 . 1 1 143 143 LYS CB C 13 32.381 0.044 5 1 . . . . 146 LYS CB . 16329 1 1438 . 1 1 143 143 LYS CD C 13 29.226 0.077 7 1 . . . . 146 LYS CD . 16329 1 1439 . 1 1 143 143 LYS CE C 13 42.051 0 5 1 . . . . 146 LYS CE . 16329 1 1440 . 1 1 143 143 LYS CG C 13 24.545 0 5 1 . . . . 146 LYS CG . 16329 1 1441 . 1 1 143 143 LYS N N 15 118.824 0.033 18 1 . . . . 146 LYS N . 16329 1 1442 . 1 1 144 144 ASP H H 1 8.978 0.005 22 1 . . . . 147 ASP H . 16329 1 1443 . 1 1 144 144 ASP HA H 1 4.199 0.012 8 1 . . . . 147 ASP HA . 16329 1 1444 . 1 1 144 144 ASP HB2 H 1 2.718 0.011 7 2 . . . . 147 ASP HB2 . 16329 1 1445 . 1 1 144 144 ASP HB3 H 1 2.501 0.007 7 2 . . . . 147 ASP HB3 . 16329 1 1446 . 1 1 144 144 ASP C C 13 177.135 0.015 2 1 . . . . 147 ASP C . 16329 1 1447 . 1 1 144 144 ASP CA C 13 56.888 0.012 6 1 . . . . 147 ASP CA . 16329 1 1448 . 1 1 144 144 ASP CB C 13 39.925 0.03 9 1 . . . . 147 ASP CB . 16329 1 1449 . 1 1 144 144 ASP N N 15 122.128 0.038 19 1 . . . . 147 ASP N . 16329 1 1450 . 1 1 145 145 ASN H H 1 7.358 0.006 23 1 . . . . 148 ASN H . 16329 1 1451 . 1 1 145 145 ASN HA H 1 4.574 0.01 9 1 . . . . 148 ASN HA . 16329 1 1452 . 1 1 145 145 ASN HB2 H 1 2.589 0.01 6 2 . . . . 148 ASN HB2 . 16329 1 1453 . 1 1 145 145 ASN HB3 H 1 2.360 0.005 8 2 . . . . 148 ASN HB3 . 16329 1 1454 . 1 1 145 145 ASN HD21 H 1 7.205 0 1 2 . . . . 148 ASN HD21 . 16329 1 1455 . 1 1 145 145 ASN HD22 H 1 6.925 0 1 2 . . . . 148 ASN HD22 . 16329 1 1456 . 1 1 145 145 ASN C C 13 173.027 0.082 2 1 . . . . 148 ASN C . 16329 1 1457 . 1 1 145 145 ASN CA C 13 53.089 0.069 6 1 . . . . 148 ASN CA . 16329 1 1458 . 1 1 145 145 ASN CB C 13 38.883 0.2 8 1 . . . . 148 ASN CB . 16329 1 1459 . 1 1 145 145 ASN N N 15 114.651 0.028 19 1 . . . . 148 ASN N . 16329 1 1460 . 1 1 145 145 ASN ND2 N 15 113.908 0.009 2 1 . . . . 148 ASN ND2 . 16329 1 1461 . 1 1 146 146 HIS H H 1 7.652 0.008 22 1 . . . . 149 HIS H . 16329 1 1462 . 1 1 146 146 HIS HA H 1 4.112 0.016 9 1 . . . . 149 HIS HA . 16329 1 1463 . 1 1 146 146 HIS HB2 H 1 3.335 0.038 8 2 . . . . 149 HIS HB2 . 16329 1 1464 . 1 1 146 146 HIS HB3 H 1 3.238 0.006 8 2 . . . . 149 HIS HB3 . 16329 1 1465 . 1 1 146 146 HIS C C 13 174.133 0.032 3 1 . . . . 149 HIS C . 16329 1 1466 . 1 1 146 146 HIS CA C 13 56.661 0.049 6 1 . . . . 149 HIS CA . 16329 1 1467 . 1 1 146 146 HIS CB C 13 26.851 0.2 9 1 . . . . 149 HIS CB . 16329 1 1468 . 1 1 146 146 HIS N N 15 114.959 0.052 19 1 . . . . 149 HIS N . 16329 1 1469 . 1 1 147 147 ILE H H 1 7.902 0.006 27 1 . . . . 150 ILE H . 16329 1 1470 . 1 1 147 147 ILE HA H 1 3.940 0.005 13 1 . . . . 150 ILE HA . 16329 1 1471 . 1 1 147 147 ILE HB H 1 1.529 0.007 14 1 . . . . 150 ILE HB . 16329 1 1472 . 1 1 147 147 ILE HD11 H 1 0.240 0.005 13 1 . . . . 150 ILE HD1 . 16329 1 1473 . 1 1 147 147 ILE HD12 H 1 0.240 0.005 13 1 . . . . 150 ILE HD1 . 16329 1 1474 . 1 1 147 147 ILE HD13 H 1 0.240 0.005 13 1 . . . . 150 ILE HD1 . 16329 1 1475 . 1 1 147 147 ILE HG12 H 1 0.971 0.006 13 2 . . . . 150 ILE HG12 . 16329 1 1476 . 1 1 147 147 ILE HG13 H 1 -0.139 0.004 13 2 . . . . 150 ILE HG13 . 16329 1 1477 . 1 1 147 147 ILE HG21 H 1 0.446 0.007 13 1 . . . . 150 ILE HG2 . 16329 1 1478 . 1 1 147 147 ILE HG22 H 1 0.446 0.007 13 1 . . . . 150 ILE HG2 . 16329 1 1479 . 1 1 147 147 ILE HG23 H 1 0.446 0.007 13 1 . . . . 150 ILE HG2 . 16329 1 1480 . 1 1 147 147 ILE C C 13 175.800 0 1 1 . . . . 150 ILE C . 16329 1 1481 . 1 1 147 147 ILE CA C 13 59.295 0.026 9 1 . . . . 150 ILE CA . 16329 1 1482 . 1 1 147 147 ILE CB C 13 34.946 0.063 9 1 . . . . 150 ILE CB . 16329 1 1483 . 1 1 147 147 ILE CD1 C 13 9.230 0.057 6 1 . . . . 150 ILE CD1 . 16329 1 1484 . 1 1 147 147 ILE CG1 C 13 25.031 0 11 1 . . . . 150 ILE CG1 . 16329 1 1485 . 1 1 147 147 ILE CG2 C 13 16.662 0 6 1 . . . . 150 ILE CG2 . 16329 1 1486 . 1 1 147 147 ILE N N 15 118.964 0.046 25 1 . . . . 150 ILE N . 16329 1 1487 . 1 1 148 148 LYS H H 1 8.165 0.006 12 1 . . . . 151 LYS H . 16329 1 1488 . 1 1 148 148 LYS HA H 1 4.319 0.012 12 1 . . . . 151 LYS HA . 16329 1 1489 . 1 1 148 148 LYS HB2 H 1 1.844 0.007 13 2 . . . . 151 LYS HB2 . 16329 1 1490 . 1 1 148 148 LYS HB3 H 1 1.670 0.004 12 2 . . . . 151 LYS HB3 . 16329 1 1491 . 1 1 148 148 LYS HD2 H 1 1.628 0.003 12 2 . . . . 151 LYS HD2 . 16329 1 1492 . 1 1 148 148 LYS HE2 H 1 2.950 0.005 11 2 . . . . 151 LYS HE2 . 16329 1 1493 . 1 1 148 148 LYS HG2 H 1 1.328 0.003 12 2 . . . . 151 LYS HG2 . 16329 1 1494 . 1 1 148 148 LYS C C 13 175.529 0 1 1 . . . . 151 LYS C . 16329 1 1495 . 1 1 148 148 LYS CA C 13 55.793 0.014 7 1 . . . . 151 LYS CA . 16329 1 1496 . 1 1 148 148 LYS CB C 13 34.790 0.045 14 1 . . . . 151 LYS CB . 16329 1 1497 . 1 1 148 148 LYS CD C 13 28.877 0 6 1 . . . . 151 LYS CD . 16329 1 1498 . 1 1 148 148 LYS CE C 13 42.096 0 6 1 . . . . 151 LYS CE . 16329 1 1499 . 1 1 148 148 LYS CG C 13 24.268 0 6 1 . . . . 151 LYS CG . 16329 1 1500 . 1 1 148 148 LYS N N 15 121.392 0.066 11 1 . . . . 151 LYS N . 16329 1 1501 . 1 1 149 149 THR H H 1 7.412 0.007 8 1 . . . . 152 THR H . 16329 1 1502 . 1 1 149 149 THR HA H 1 4.575 0.005 5 1 . . . . 152 THR HA . 16329 1 1503 . 1 1 149 149 THR HB H 1 4.030 0.005 4 1 . . . . 152 THR HB . 16329 1 1504 . 1 1 149 149 THR HG21 H 1 1.119 0.005 7 1 . . . . 152 THR HG2 . 16329 1 1505 . 1 1 149 149 THR HG22 H 1 1.119 0.005 7 1 . . . . 152 THR HG2 . 16329 1 1506 . 1 1 149 149 THR HG23 H 1 1.119 0.005 7 1 . . . . 152 THR HG2 . 16329 1 1507 . 1 1 149 149 THR C C 13 172.725 0 1 1 . . . . 152 THR C . 16329 1 1508 . 1 1 149 149 THR CA C 13 60.667 0.062 6 1 . . . . 152 THR CA . 16329 1 1509 . 1 1 149 149 THR CB C 13 71.033 0.021 3 1 . . . . 152 THR CB . 16329 1 1510 . 1 1 149 149 THR CG2 C 13 21.358 0 3 1 . . . . 152 THR CG . 16329 1 1511 . 1 1 149 149 THR N N 15 112.573 0.06 7 1 . . . . 152 THR N . 16329 1 1512 . 1 1 150 150 THR H H 1 8.329 0.005 17 1 . . . . 153 THR H . 16329 1 1513 . 1 1 150 150 THR HA H 1 4.634 0.022 6 1 . . . . 153 THR HA . 16329 1 1514 . 1 1 150 150 THR HB H 1 4.309 0.004 2 1 . . . . 153 THR HB . 16329 1 1515 . 1 1 150 150 THR HG21 H 1 0.964 0.01 5 1 . . . . 153 THR HG2 . 16329 1 1516 . 1 1 150 150 THR HG22 H 1 0.964 0.01 5 1 . . . . 153 THR HG2 . 16329 1 1517 . 1 1 150 150 THR HG23 H 1 0.964 0.01 5 1 . . . . 153 THR HG2 . 16329 1 1518 . 1 1 150 150 THR C C 13 171.940 0 1 1 . . . . 153 THR C . 16329 1 1519 . 1 1 150 150 THR CA C 13 57.110 0.004 4 1 . . . . 153 THR CA . 16329 1 1520 . 1 1 150 150 THR CB C 13 71.302 0 1 1 . . . . 153 THR CB . 16329 1 1521 . 1 1 150 150 THR CG2 C 13 23.261 0 1 1 . . . . 153 THR CG2 . 16329 1 1522 . 1 1 150 150 THR N N 15 111.960 0.013 16 1 . . . . 153 THR N . 16329 1 1523 . 1 1 151 151 PRO HA H 1 5.256 0.007 12 1 . . . . 154 PRO HA . 16329 1 1524 . 1 1 151 151 PRO HB2 H 1 2.907 0.006 15 2 . . . . 154 PRO HB2 . 16329 1 1525 . 1 1 151 151 PRO HB3 H 1 1.759 0.012 14 2 . . . . 154 PRO HB3 . 16329 1 1526 . 1 1 151 151 PRO HD2 H 1 4.063 0.005 12 2 . . . . 154 PRO HD1 . 16329 1 1527 . 1 1 151 151 PRO HD3 H 1 3.460 0.002 12 2 . . . . 154 PRO HD2 . 16329 1 1528 . 1 1 151 151 PRO HG2 H 1 2.039 0.003 12 2 . . . . 154 PRO HG2 . 16329 1 1529 . 1 1 151 151 PRO HG3 H 1 1.850 0.011 13 2 . . . . 154 PRO HG3 . 16329 1 1530 . 1 1 151 151 PRO C C 13 176.490 0.007 2 1 . . . . 154 PRO C . 16329 1 1531 . 1 1 151 151 PRO CA C 13 62.978 0.03 7 1 . . . . 154 PRO CA . 16329 1 1532 . 1 1 151 151 PRO CB C 13 35.592 0.016 15 1 . . . . 154 PRO CB . 16329 1 1533 . 1 1 151 151 PRO CD C 13 51.117 0 12 1 . . . . 154 PRO CD . 16329 1 1534 . 1 1 151 151 PRO CG C 13 25.121 0 12 1 . . . . 154 PRO CG . 16329 1 1535 . 1 1 152 152 THR H H 1 7.863 0.006 21 1 . . . . 155 THR H . 16329 1 1536 . 1 1 152 152 THR HA H 1 4.287 0.006 7 1 . . . . 155 THR HA . 16329 1 1537 . 1 1 152 152 THR HB H 1 3.898 0.01 4 1 . . . . 155 THR HB . 16329 1 1538 . 1 1 152 152 THR HG21 H 1 1.162 0.015 7 1 . . . . 155 THR HG2 . 16329 1 1539 . 1 1 152 152 THR HG22 H 1 1.162 0.015 7 1 . . . . 155 THR HG2 . 16329 1 1540 . 1 1 152 152 THR HG23 H 1 1.162 0.015 7 1 . . . . 155 THR HG2 . 16329 1 1541 . 1 1 152 152 THR C C 13 171.013 0.037 2 1 . . . . 155 THR C . 16329 1 1542 . 1 1 152 152 THR CA C 13 62.564 0.174 6 1 . . . . 155 THR CA . 16329 1 1543 . 1 1 152 152 THR CB C 13 72.043 0.025 3 1 . . . . 155 THR CB . 16329 1 1544 . 1 1 152 152 THR CG2 C 13 22.749 0 3 1 . . . . 155 THR CG2 . 16329 1 1545 . 1 1 152 152 THR N N 15 114.010 0.071 19 1 . . . . 155 THR N . 16329 1 1546 . 1 1 153 153 ALA H H 1 8.970 0.009 17 1 . . . . 156 ALA H . 16329 1 1547 . 1 1 153 153 ALA HA H 1 5.996 0.005 7 1 . . . . 156 ALA HA . 16329 1 1548 . 1 1 153 153 ALA HB1 H 1 1.328 0.005 6 1 . . . . 156 ALA HB . 16329 1 1549 . 1 1 153 153 ALA HB2 H 1 1.328 0.005 6 1 . . . . 156 ALA HB . 16329 1 1550 . 1 1 153 153 ALA HB3 H 1 1.328 0.005 6 1 . . . . 156 ALA HB . 16329 1 1551 . 1 1 153 153 ALA C C 13 174.773 0.046 3 1 . . . . 156 ALA C . 16329 1 1552 . 1 1 153 153 ALA CA C 13 50.788 0.031 5 1 . . . . 156 ALA CA . 16329 1 1553 . 1 1 153 153 ALA CB C 13 23.589 0.094 5 1 . . . . 156 ALA CB . 16329 1 1554 . 1 1 153 153 ALA N N 15 129.712 0.033 16 1 . . . . 156 ALA N . 16329 1 1555 . 1 1 154 154 PHE H H 1 9.457 0.007 24 1 . . . . 157 PHE H . 16329 1 1556 . 1 1 154 154 PHE HA H 1 5.255 0.006 9 1 . . . . 157 PHE HA . 16329 1 1557 . 1 1 154 154 PHE HB2 H 1 2.896 0.005 7 2 . . . . 157 PHE HB2 . 16329 1 1558 . 1 1 154 154 PHE HB3 H 1 2.639 0.006 6 2 . . . . 157 PHE HB3 . 16329 1 1559 . 1 1 154 154 PHE HD1 H 1 6.944 0.013 2 3 . . . . 157 PHE HD1 . 16329 1 1560 . 1 1 154 154 PHE HE1 H 1 7.097 0 1 3 . . . . 157 PHE HE1 . 16329 1 1561 . 1 1 154 154 PHE C C 13 175.498 0.142 3 1 . . . . 157 PHE C . 16329 1 1562 . 1 1 154 154 PHE CA C 13 56.303 0.011 6 1 . . . . 157 PHE CA . 16329 1 1563 . 1 1 154 154 PHE CB C 13 45.234 0.024 8 1 . . . . 157 PHE CB . 16329 1 1564 . 1 1 154 154 PHE N N 15 118.743 0.026 22 1 . . . . 157 PHE N . 16329 1 1565 . 1 1 155 155 ILE H H 1 9.076 0.015 19 1 . . . . 158 ILE H . 16329 1 1566 . 1 1 155 155 ILE HA H 1 5.007 0.008 13 1 . . . . 158 ILE HA . 16329 1 1567 . 1 1 155 155 ILE HB H 1 1.687 0.005 12 1 . . . . 158 ILE HB . 16329 1 1568 . 1 1 155 155 ILE HD11 H 1 0.879 0.005 11 1 . . . . 158 ILE HD1 . 16329 1 1569 . 1 1 155 155 ILE HD12 H 1 0.879 0.005 11 1 . . . . 158 ILE HD1 . 16329 1 1570 . 1 1 155 155 ILE HD13 H 1 0.879 0.005 11 1 . . . . 158 ILE HD1 . 16329 1 1571 . 1 1 155 155 ILE HG12 H 1 1.504 0.003 12 2 . . . . 158 ILE HG12 . 16329 1 1572 . 1 1 155 155 ILE HG13 H 1 1.102 0.008 12 2 . . . . 158 ILE HG13 . 16329 1 1573 . 1 1 155 155 ILE HG21 H 1 0.635 0.003 12 1 . . . . 158 ILE HG2 . 16329 1 1574 . 1 1 155 155 ILE HG22 H 1 0.635 0.003 12 1 . . . . 158 ILE HG2 . 16329 1 1575 . 1 1 155 155 ILE HG23 H 1 0.635 0.003 12 1 . . . . 158 ILE HG2 . 16329 1 1576 . 1 1 155 155 ILE C C 13 176.246 0.003 2 1 . . . . 158 ILE C . 16329 1 1577 . 1 1 155 155 ILE CA C 13 60.581 0.032 9 1 . . . . 158 ILE CA . 16329 1 1578 . 1 1 155 155 ILE CB C 13 39.294 0.032 9 1 . . . . 158 ILE CB . 16329 1 1579 . 1 1 155 155 ILE CD1 C 13 14.805 0 5 1 . . . . 158 ILE CD1 . 16329 1 1580 . 1 1 155 155 ILE CG1 C 13 27.600 0 12 1 . . . . 158 ILE CG1 . 16329 1 1581 . 1 1 155 155 ILE CG2 C 13 17.090 0 6 1 . . . . 158 ILE CG2 . 16329 1 1582 . 1 1 155 155 ILE N N 15 118.688 0.021 15 1 . . . . 158 ILE N . 16329 1 1583 . 1 1 156 156 ASN H H 1 9.449 0.007 12 1 . . . . 159 ASN H . 16329 1 1584 . 1 1 156 156 ASN C C 13 175.511 0 1 1 . . . . 159 ASN C . 16329 1 1585 . 1 1 156 156 ASN CA C 13 54.319 0 1 1 . . . . 159 ASN CA . 16329 1 1586 . 1 1 156 156 ASN CB C 13 37.124 0.01 2 1 . . . . 159 ASN CB . 16329 1 1587 . 1 1 156 156 ASN N N 15 128.492 0.038 11 1 . . . . 159 ASN N . 16329 1 1588 . 1 1 157 157 GLY H H 1 8.826 0.003 5 1 . . . . 160 GLY H . 16329 1 1589 . 1 1 157 157 GLY HA2 H 1 4.129 0.004 5 2 . . . . 160 GLY HA2 . 16329 1 1590 . 1 1 157 157 GLY HA3 H 1 3.652 0.007 5 2 . . . . 160 GLY HA3 . 16329 1 1591 . 1 1 157 157 GLY C C 13 173.380 0.042 3 1 . . . . 160 GLY C . 16329 1 1592 . 1 1 157 157 GLY CA C 13 45.703 0.025 7 1 . . . . 160 GLY CA . 16329 1 1593 . 1 1 157 157 GLY N N 15 103.476 0 5 1 . . . . 160 GLY N . 16329 1 1594 . 1 1 158 158 GLU H H 1 8.237 0.004 18 1 . . . . 161 GLU H . 16329 1 1595 . 1 1 158 158 GLU HA H 1 4.605 0.01 4 1 . . . . 161 GLU HA . 16329 1 1596 . 1 1 158 158 GLU HB2 H 1 2.204 0.005 7 2 . . . . 161 GLU HB2 . 16329 1 1597 . 1 1 158 158 GLU HB3 H 1 2.081 0.013 7 2 . . . . 161 GLU HB3 . 16329 1 1598 . 1 1 158 158 GLU C C 13 174.942 0.035 3 1 . . . . 161 GLU C . 16329 1 1599 . 1 1 158 158 GLU CA C 13 55.128 0.037 5 1 . . . . 161 GLU CA . 16329 1 1600 . 1 1 158 158 GLU CB C 13 31.154 0.061 7 1 . . . . 161 GLU CB . 16329 1 1601 . 1 1 158 158 GLU N N 15 122.883 0.062 16 1 . . . . 161 GLU N . 16329 1 1602 . 1 1 159 159 LYS H H 1 8.521 0.004 22 1 . . . . 162 LYS H . 16329 1 1603 . 1 1 159 159 LYS HA H 1 3.491 0.004 17 1 . . . . 162 LYS HA . 16329 1 1604 . 1 1 159 159 LYS HB2 H 1 1.519 0.015 17 2 . . . . 162 LYS HB2 . 16329 1 1605 . 1 1 159 159 LYS HB3 H 1 1.362 0.003 16 2 . . . . 162 LYS HB3 . 16329 1 1606 . 1 1 159 159 LYS HD2 H 1 1.536 0.003 16 2 . . . . 162 LYS HD2 . 16329 1 1607 . 1 1 159 159 LYS HD3 H 1 1.463 0.004 16 2 . . . . 162 LYS HD3 . 16329 1 1608 . 1 1 159 159 LYS HE2 H 1 2.862 0.003 15 2 . . . . 162 LYS HE2 . 16329 1 1609 . 1 1 159 159 LYS HG2 H 1 0.916 0.004 18 2 . . . . 162 LYS HG2 . 16329 1 1610 . 1 1 159 159 LYS HG3 H 1 0.728 0.005 18 2 . . . . 162 LYS HG3 . 16329 1 1611 . 1 1 159 159 LYS C C 13 176.149 0.031 2 1 . . . . 162 LYS C . 16329 1 1612 . 1 1 159 159 LYS CA C 13 57.095 0.025 10 1 . . . . 162 LYS CA . 16329 1 1613 . 1 1 159 159 LYS CB C 13 32.899 0.034 19 1 . . . . 162 LYS CB . 16329 1 1614 . 1 1 159 159 LYS CD C 13 29.306 0 16 1 . . . . 162 LYS CD . 16329 1 1615 . 1 1 159 159 LYS CE C 13 42.271 0 8 1 . . . . 162 LYS CE . 16329 1 1616 . 1 1 159 159 LYS CG C 13 24.102 0 16 1 . . . . 162 LYS CG . 16329 1 1617 . 1 1 159 159 LYS N N 15 127.039 0.028 20 1 . . . . 162 LYS N . 16329 1 1618 . 1 1 160 160 VAL H H 1 8.170 0.005 22 1 . . . . 163 VAL H . 16329 1 1619 . 1 1 160 160 VAL HA H 1 3.494 0.004 10 1 . . . . 163 VAL HA . 16329 1 1620 . 1 1 160 160 VAL HB H 1 1.329 0.006 10 1 . . . . 163 VAL HB . 16329 1 1621 . 1 1 160 160 VAL HG11 H 1 0.257 0.013 10 2 . . . . 163 VAL HG1 . 16329 1 1622 . 1 1 160 160 VAL HG12 H 1 0.257 0.013 10 2 . . . . 163 VAL HG1 . 16329 1 1623 . 1 1 160 160 VAL HG13 H 1 0.257 0.013 10 2 . . . . 163 VAL HG1 . 16329 1 1624 . 1 1 160 160 VAL HG21 H 1 -0.120 0.004 10 2 . . . . 163 VAL HG2 . 16329 1 1625 . 1 1 160 160 VAL HG22 H 1 -0.120 0.004 10 2 . . . . 163 VAL HG2 . 16329 1 1626 . 1 1 160 160 VAL HG23 H 1 -0.120 0.004 10 2 . . . . 163 VAL HG2 . 16329 1 1627 . 1 1 160 160 VAL C C 13 176.521 0.037 2 1 . . . . 163 VAL C . 16329 1 1628 . 1 1 160 160 VAL CA C 13 62.409 0.018 7 1 . . . . 163 VAL CA . 16329 1 1629 . 1 1 160 160 VAL CB C 13 31.257 0.011 7 1 . . . . 163 VAL CB . 16329 1 1630 . 1 1 160 160 VAL CG1 C 13 21.143 0.11 3 2 . . . . 163 VAL CG1 . 16329 1 1631 . 1 1 160 160 VAL CG2 C 13 20.576 0.206 4 2 . . . . 163 VAL CG2 . 16329 1 1632 . 1 1 160 160 VAL N N 15 128.384 0.043 21 1 . . . . 163 VAL N . 16329 1 1633 . 1 1 161 161 GLU H H 1 8.474 0.004 21 1 . . . . 164 GLU H . 16329 1 1634 . 1 1 161 161 GLU HA H 1 3.776 0.003 10 1 . . . . 164 GLU HA . 16329 1 1635 . 1 1 161 161 GLU HB2 H 1 1.925 0.005 10 2 . . . . 164 GLU HB2 . 16329 1 1636 . 1 1 161 161 GLU HG2 H 1 2.198 0.019 9 2 . . . . 164 GLU HG2 . 16329 1 1637 . 1 1 161 161 GLU HG3 H 1 2.280 0.001 8 2 . . . . 164 GLU HG3 . 16329 1 1638 . 1 1 161 161 GLU C C 13 176.570 0.012 2 1 . . . . 164 GLU C . 16329 1 1639 . 1 1 161 161 GLU CA C 13 59.807 0.032 7 1 . . . . 164 GLU CA . 16329 1 1640 . 1 1 161 161 GLU CB C 13 29.922 0.023 7 1 . . . . 164 GLU CB . 16329 1 1641 . 1 1 161 161 GLU CG C 13 36.493 0.001 8 1 . . . . 164 GLU CG . 16329 1 1642 . 1 1 161 161 GLU N N 15 128.513 0.038 19 1 . . . . 164 GLU N . 16329 1 1643 . 1 1 162 162 ASP H H 1 7.269 0.006 17 1 . . . . 165 ASP H . 16329 1 1644 . 1 1 162 162 ASP HA H 1 5.099 0.004 6 1 . . . . 165 ASP HA . 16329 1 1645 . 1 1 162 162 ASP HB2 H 1 3.006 0.004 6 2 . . . . 165 ASP HB2 . 16329 1 1646 . 1 1 162 162 ASP HB3 H 1 2.484 0.004 6 2 . . . . 165 ASP HB3 . 16329 1 1647 . 1 1 162 162 ASP CA C 13 49.820 0 3 1 . . . . 165 ASP CA . 16329 1 1648 . 1 1 162 162 ASP CB C 13 41.371 0.073 6 1 . . . . 165 ASP CB . 16329 1 1649 . 1 1 162 162 ASP N N 15 115.480 0.086 15 1 . . . . 165 ASP N . 16329 1 1650 . 1 1 163 163 PRO HA H 1 4.106 0.007 12 1 . . . . 166 PRO HA . 16329 1 1651 . 1 1 163 163 PRO HB2 H 1 1.946 0.008 12 2 . . . . 166 PRO HB2 . 16329 1 1652 . 1 1 163 163 PRO HB3 H 1 1.508 0.007 12 2 . . . . 166 PRO HB3 . 16329 1 1653 . 1 1 163 163 PRO HD2 H 1 3.778 0.003 11 2 . . . . 166 PRO HD2 . 16329 1 1654 . 1 1 163 163 PRO HD3 H 1 3.425 0.008 12 2 . . . . 166 PRO HD3 . 16329 1 1655 . 1 1 163 163 PRO HG2 H 1 1.744 0.004 12 2 . . . . 166 PRO HG2 . 16329 1 1656 . 1 1 163 163 PRO C C 13 175.673 0 1 1 . . . . 166 PRO C . 16329 1 1657 . 1 1 163 163 PRO CA C 13 63.215 0.004 6 1 . . . . 166 PRO CA . 16329 1 1658 . 1 1 163 163 PRO CB C 13 31.326 0.008 12 1 . . . . 166 PRO CB . 16329 1 1659 . 1 1 163 163 PRO CD C 13 50.318 0 12 1 . . . . 166 PRO CD . 16329 1 1660 . 1 1 163 163 PRO CG C 13 25.315 0 6 1 . . . . 166 PRO CG . 16329 1 1661 . 1 1 164 164 TYR H H 1 7.616 0.009 7 1 . . . . 167 TYR H . 16329 1 1662 . 1 1 164 164 TYR HA H 1 4.444 0.005 6 1 . . . . 167 TYR HA . 16329 1 1663 . 1 1 164 164 TYR HB2 H 1 3.244 0.003 6 2 . . . . 167 TYR HB2 . 16329 1 1664 . 1 1 164 164 TYR HB3 H 1 2.925 0.005 7 2 . . . . 167 TYR HB3 . 16329 1 1665 . 1 1 164 164 TYR HE1 H 1 6.926 0 1 3 . . . . 167 TYR HE1 . 16329 1 1666 . 1 1 164 164 TYR C C 13 178.784 0 1 1 . . . . 167 TYR C . 16329 1 1667 . 1 1 164 164 TYR CA C 13 57.553 0.06 5 1 . . . . 167 TYR CA . 16329 1 1668 . 1 1 164 164 TYR CB C 13 37.915 0.02 8 1 . . . . 167 TYR CB . 16329 1 1669 . 1 1 164 164 TYR N N 15 116.762 0.017 6 1 . . . . 167 TYR N . 16329 1 1670 . 1 1 165 165 ASP H H 1 7.414 0.011 11 1 . . . . 168 ASP H . 16329 1 1671 . 1 1 165 165 ASP HA H 1 4.957 0.004 6 1 . . . . 168 ASP HA . 16329 1 1672 . 1 1 165 165 ASP HB2 H 1 3.051 0.002 6 2 . . . . 168 ASP HB2 . 16329 1 1673 . 1 1 165 165 ASP HB3 H 1 2.552 0.003 6 2 . . . . 168 ASP HB3 . 16329 1 1674 . 1 1 165 165 ASP C C 13 179.464 0 1 1 . . . . 168 ASP C . 16329 1 1675 . 1 1 165 165 ASP CA C 13 51.923 0.015 6 1 . . . . 168 ASP CA . 16329 1 1676 . 1 1 165 165 ASP CB C 13 43.103 0.221 8 1 . . . . 168 ASP CB . 16329 1 1677 . 1 1 165 165 ASP N N 15 119.630 0.084 10 1 . . . . 168 ASP N . 16329 1 1678 . 1 1 166 166 TYR H H 1 9.281 0.007 15 1 . . . . 169 TYR H . 16329 1 1679 . 1 1 166 166 TYR HA H 1 4.157 0.005 6 1 . . . . 169 TYR HA . 16329 1 1680 . 1 1 166 166 TYR HB2 H 1 3.263 0.002 8 2 . . . . 169 TYR HB2 . 16329 1 1681 . 1 1 166 166 TYR HB3 H 1 3.094 0.008 8 2 . . . . 169 TYR HB3 . 16329 1 1682 . 1 1 166 166 TYR HD1 H 1 7.086 0 1 3 . . . . 169 TYR HD1 . 16329 1 1683 . 1 1 166 166 TYR HD2 H 1 6.932 0.004 2 3 . . . . 169 TYR HD2 . 16329 1 1684 . 1 1 166 166 TYR HE1 H 1 6.656 0 1 3 . . . . 169 TYR HE1 . 16329 1 1685 . 1 1 166 166 TYR C C 13 177.055 0.074 3 1 . . . . 169 TYR C . 16329 1 1686 . 1 1 166 166 TYR CA C 13 62.450 0.029 6 1 . . . . 169 TYR CA . 16329 1 1687 . 1 1 166 166 TYR CB C 13 39.132 0.117 9 1 . . . . 169 TYR CB . 16329 1 1688 . 1 1 166 166 TYR N N 15 127.792 0.065 13 1 . . . . 169 TYR N . 16329 1 1689 . 1 1 167 167 GLU H H 1 8.576 0.006 23 1 . . . . 170 GLU H . 16329 1 1690 . 1 1 167 167 GLU HA H 1 3.840 0.003 11 1 . . . . 170 GLU HA . 16329 1 1691 . 1 1 167 167 GLU HB2 H 1 2.214 0.014 12 2 . . . . 170 GLU HB2 . 16329 1 1692 . 1 1 167 167 GLU HB3 H 1 2.131 0.003 10 2 . . . . 170 GLU HB3 . 16329 1 1693 . 1 1 167 167 GLU HG2 H 1 2.522 0.017 12 2 . . . . 170 GLU HG2 . 16329 1 1694 . 1 1 167 167 GLU HG3 H 1 2.425 0.017 11 2 . . . . 170 GLU HG3 . 16329 1 1695 . 1 1 167 167 GLU C C 13 178.638 0.023 3 1 . . . . 170 GLU C . 16329 1 1696 . 1 1 167 167 GLU CA C 13 59.710 0.006 8 1 . . . . 170 GLU CA . 16329 1 1697 . 1 1 167 167 GLU CB C 13 29.067 0.033 13 1 . . . . 170 GLU CB . 16329 1 1698 . 1 1 167 167 GLU CG C 13 37.296 0 10 1 . . . . 170 GLU CG . 16329 1 1699 . 1 1 167 167 GLU N N 15 117.250 0.03 20 1 . . . . 170 GLU N . 16329 1 1700 . 1 1 168 168 SER H H 1 7.854 0.006 25 1 . . . . 171 SER H . 16329 1 1701 . 1 1 168 168 SER HA H 1 4.118 0.012 8 1 . . . . 171 SER HA . 16329 1 1702 . 1 1 168 168 SER HB2 H 1 4.168 0.008 6 2 . . . . 171 SER HB2 . 16329 1 1703 . 1 1 168 168 SER HB3 H 1 3.927 0.002 6 2 . . . . 171 SER HB3 . 16329 1 1704 . 1 1 168 168 SER C C 13 176.409 0.028 3 1 . . . . 171 SER C . 16329 1 1705 . 1 1 168 168 SER CA C 13 61.999 0.031 6 1 . . . . 171 SER CA . 16329 1 1706 . 1 1 168 168 SER CB C 13 64.148 0.082 9 1 . . . . 171 SER CB . 16329 1 1707 . 1 1 168 168 SER N N 15 115.446 0.052 22 1 . . . . 171 SER N . 16329 1 1708 . 1 1 169 169 TYR H H 1 7.531 0.005 21 1 . . . . 172 TYR H . 16329 1 1709 . 1 1 169 169 TYR HA H 1 3.895 0.004 8 1 . . . . 172 TYR HA . 16329 1 1710 . 1 1 169 169 TYR HB2 H 1 3.084 0.003 8 2 . . . . 172 TYR HB2 . 16329 1 1711 . 1 1 169 169 TYR HB3 H 1 2.262 0.025 7 2 . . . . 172 TYR HB3 . 16329 1 1712 . 1 1 169 169 TYR HD1 H 1 7.175 0.009 2 3 . . . . 172 TYR HD1 . 16329 1 1713 . 1 1 169 169 TYR HD2 H 1 7.072 0.019 2 3 . . . . 172 TYR HD2 . 16329 1 1714 . 1 1 169 169 TYR CA C 13 60.459 0.071 5 1 . . . . 172 TYR CA . 16329 1 1715 . 1 1 169 169 TYR CB C 13 37.004 0.024 8 1 . . . . 172 TYR CB . 16329 1 1716 . 1 1 169 169 TYR N N 15 118.887 0.033 18 1 . . . . 172 TYR N . 16329 1 1717 . 1 1 170 170 GLU H H 1 7.552 0.007 10 1 . . . . 173 GLU H . 16329 1 1718 . 1 1 170 170 GLU HA H 1 3.684 0.005 10 1 . . . . 173 GLU HA . 16329 1 1719 . 1 1 170 170 GLU HB2 H 1 1.853 0.006 10 2 . . . . 173 GLU HB2 . 16329 1 1720 . 1 1 170 170 GLU HB3 H 1 1.692 0.002 10 2 . . . . 173 GLU HB3 . 16329 1 1721 . 1 1 170 170 GLU HG2 H 1 2.198 0.004 10 2 . . . . 173 GLU HG2 . 16329 1 1722 . 1 1 170 170 GLU HG3 H 1 2.111 0.002 10 2 . . . . 173 GLU HG3 . 16329 1 1723 . 1 1 170 170 GLU C C 13 177.935 0.025 2 1 . . . . 173 GLU C . 16329 1 1724 . 1 1 170 170 GLU CA C 13 60.031 0.109 8 1 . . . . 173 GLU CA . 16329 1 1725 . 1 1 170 170 GLU CB C 13 29.915 0.019 13 1 . . . . 173 GLU CB . 16329 1 1726 . 1 1 170 170 GLU CG C 13 36.708 0 10 1 . . . . 173 GLU CG . 16329 1 1727 . 1 1 170 170 GLU N N 15 118.753 0.03 8 1 . . . . 173 GLU N . 16329 1 1728 . 1 1 171 171 LYS H H 1 7.943 0.005 16 1 . . . . 174 LYS H . 16329 1 1729 . 1 1 171 171 LYS HA H 1 3.920 0.008 10 1 . . . . 174 LYS HA . 16329 1 1730 . 1 1 171 171 LYS HB2 H 1 1.916 0.004 15 2 . . . . 174 LYS HB2 . 16329 1 1731 . 1 1 171 171 LYS HB3 H 1 1.794 0.004 14 2 . . . . 174 LYS HB3 . 16329 1 1732 . 1 1 171 171 LYS HD2 H 1 1.691 0.01 15 2 . . . . 174 LYS HD2 . 16329 1 1733 . 1 1 171 171 LYS HD3 H 1 1.269 0.005 14 2 . . . . 174 LYS HD3 . 16329 1 1734 . 1 1 171 171 LYS HE2 H 1 3.052 0.005 15 2 . . . . 174 LYS HE2 . 16329 1 1735 . 1 1 171 171 LYS HE3 H 1 2.965 0.008 14 2 . . . . 174 LYS HE3 . 16329 1 1736 . 1 1 171 171 LYS HG2 H 1 1.525 0.007 15 2 . . . . 174 LYS HG2 . 16329 1 1737 . 1 1 171 171 LYS C C 13 178.297 0.033 2 1 . . . . 174 LYS C . 16329 1 1738 . 1 1 171 171 LYS CA C 13 59.803 0.023 10 1 . . . . 174 LYS CA . 16329 1 1739 . 1 1 171 171 LYS CB C 13 32.567 0.035 17 1 . . . . 174 LYS CB . 16329 1 1740 . 1 1 171 171 LYS CD C 13 29.595 0 14 1 . . . . 174 LYS CD . 16329 1 1741 . 1 1 171 171 LYS CE C 13 42.087 0 13 1 . . . . 174 LYS CE . 16329 1 1742 . 1 1 171 171 LYS CG C 13 24.899 0 7 1 . . . . 174 LYS CG . 16329 1 1743 . 1 1 171 171 LYS N N 15 116.313 0.035 15 1 . . . . 174 LYS N . 16329 1 1744 . 1 1 172 172 LEU H H 1 6.745 0.005 19 1 . . . . 175 LEU H . 16329 1 1745 . 1 1 172 172 LEU HA H 1 4.291 0.005 13 1 . . . . 175 LEU HA . 16329 1 1746 . 1 1 172 172 LEU HB2 H 1 1.796 0.002 11 2 . . . . 175 LEU HB2 . 16329 1 1747 . 1 1 172 172 LEU HB3 H 1 1.352 0.005 11 2 . . . . 175 LEU HB3 . 16329 1 1748 . 1 1 172 172 LEU HD11 H 1 0.830 0.005 13 2 . . . . 175 LEU HD1 . 16329 1 1749 . 1 1 172 172 LEU HD12 H 1 0.830 0.005 13 2 . . . . 175 LEU HD1 . 16329 1 1750 . 1 1 172 172 LEU HD13 H 1 0.830 0.005 13 2 . . . . 175 LEU HD1 . 16329 1 1751 . 1 1 172 172 LEU HD21 H 1 0.806 0.004 5 2 . . . . 175 LEU HD2 . 16329 1 1752 . 1 1 172 172 LEU HD22 H 1 0.806 0.004 5 2 . . . . 175 LEU HD2 . 16329 1 1753 . 1 1 172 172 LEU HD23 H 1 0.806 0.004 5 2 . . . . 175 LEU HD2 . 16329 1 1754 . 1 1 172 172 LEU HG H 1 1.676 0.003 11 1 . . . . 175 LEU HG . 16329 1 1755 . 1 1 172 172 LEU C C 13 178.328 0.016 2 1 . . . . 175 LEU C . 16329 1 1756 . 1 1 172 172 LEU CA C 13 56.403 0.013 8 1 . . . . 175 LEU CA . 16329 1 1757 . 1 1 172 172 LEU CB C 13 43.397 0.02 13 1 . . . . 175 LEU CB . 16329 1 1758 . 1 1 172 172 LEU CD1 C 13 26.100 0 5 2 . . . . 175 LEU CD1 . 16329 1 1759 . 1 1 172 172 LEU CD2 C 13 23.190 0 5 2 . . . . 175 LEU CD2 . 16329 1 1760 . 1 1 172 172 LEU CG C 13 27.533 0 5 1 . . . . 175 LEU CG . 16329 1 1761 . 1 1 172 172 LEU N N 15 116.842 0.026 16 1 . . . . 175 LEU N . 16329 1 1762 . 1 1 173 173 LEU H H 1 7.835 0.01 17 1 . . . . 176 LEU H . 16329 1 1763 . 1 1 173 173 LEU HA H 1 4.443 0.004 2 1 . . . . 176 LEU HA . 16329 1 1764 . 1 1 173 173 LEU HB2 H 1 1.819 0.002 2 2 . . . . 176 LEU HB2 . 16329 1 1765 . 1 1 173 173 LEU HB3 H 1 1.476 0.009 2 2 . . . . 176 LEU HB3 . 16329 1 1766 . 1 1 173 173 LEU C C 13 178.719 0.094 3 1 . . . . 176 LEU C . 16329 1 1767 . 1 1 173 173 LEU CA C 13 57.048 0.05 4 1 . . . . 176 LEU CA . 16329 1 1768 . 1 1 173 173 LEU CB C 13 42.884 0.03 4 1 . . . . 176 LEU CB . 16329 1 1769 . 1 1 173 173 LEU N N 15 118.801 0.099 14 1 . . . . 176 LEU N . 16329 1 1770 . 1 1 174 174 LYS H H 1 8.079 0.004 15 1 . . . . 177 LYS H . 16329 1 1771 . 1 1 174 174 LYS C C 13 177.525 0.009 2 1 . . . . 177 LYS C . 16329 1 1772 . 1 1 174 174 LYS CA C 13 59.535 0.033 3 1 . . . . 177 LYS CA . 16329 1 1773 . 1 1 174 174 LYS CB C 13 32.586 0.042 3 1 . . . . 177 LYS CB . 16329 1 1774 . 1 1 174 174 LYS N N 15 118.180 0.064 12 1 . . . . 177 LYS N . 16329 1 1775 . 1 1 175 175 ASP H H 1 7.840 0.005 11 1 . . . . 178 ASP H . 16329 1 1776 . 1 1 175 175 ASP HA H 1 4.676 0.007 4 1 . . . . 178 ASP HA . 16329 1 1777 . 1 1 175 175 ASP HB2 H 1 2.755 0.002 4 2 . . . . 178 ASP HB2 . 16329 1 1778 . 1 1 175 175 ASP C C 13 176.890 0.032 2 1 . . . . 178 ASP C . 16329 1 1779 . 1 1 175 175 ASP CA C 13 55.404 0.034 5 1 . . . . 178 ASP CA . 16329 1 1780 . 1 1 175 175 ASP CB C 13 41.601 0.015 4 1 . . . . 178 ASP CB . 16329 1 1781 . 1 1 175 175 ASP N N 15 116.932 0.089 11 1 . . . . 178 ASP N . 16329 1 1782 . 1 1 176 176 LYS H H 1 7.843 0.007 12 1 . . . . 179 LYS H . 16329 1 1783 . 1 1 176 176 LYS HA H 1 4.371 0.003 12 1 . . . . 179 LYS HA . 16329 1 1784 . 1 1 176 176 LYS HB2 H 1 1.866 0.003 12 2 . . . . 179 LYS HB2 . 16329 1 1785 . 1 1 176 176 LYS HB3 H 1 1.737 0.007 12 2 . . . . 179 LYS HB3 . 16329 1 1786 . 1 1 176 176 LYS HD2 H 1 1.688 0.004 12 2 . . . . 179 LYS HD2 . 16329 1 1787 . 1 1 176 176 LYS HE2 H 1 3.011 0.004 12 2 . . . . 179 LYS HE2 . 16329 1 1788 . 1 1 176 176 LYS HG2 H 1 1.441 0.004 12 2 . . . . 179 LYS HG2 . 16329 1 1789 . 1 1 176 176 LYS C C 13 176.963 0.138 3 1 . . . . 179 LYS C . 16329 1 1790 . 1 1 176 176 LYS CA C 13 56.894 0.02 9 1 . . . . 179 LYS CA . 16329 1 1791 . 1 1 176 176 LYS CB C 13 33.498 0.151 15 1 . . . . 179 LYS CB . 16329 1 1792 . 1 1 176 176 LYS CD C 13 29.497 0 6 1 . . . . 179 LYS CD . 16329 1 1793 . 1 1 176 176 LYS CE C 13 42.535 0 6 1 . . . . 179 LYS CE . 16329 1 1794 . 1 1 176 176 LYS CG C 13 24.496 0 6 1 . . . . 179 LYS CG . 16329 1 1795 . 1 1 176 176 LYS N N 15 117.696 0.039 10 1 . . . . 179 LYS N . 16329 1 1796 . 1 1 177 177 ILE H H 1 7.667 0.017 11 1 . . . . 180 ILE H . 16329 1 1797 . 1 1 177 177 ILE HA H 1 4.251 0.006 12 1 . . . . 180 ILE HA . 16329 1 1798 . 1 1 177 177 ILE HB H 1 2.031 0.004 12 1 . . . . 180 ILE HB . 16329 1 1799 . 1 1 177 177 ILE HD11 H 1 0.919 0.003 12 1 . . . . 180 ILE HD1 . 16329 1 1800 . 1 1 177 177 ILE HD12 H 1 0.919 0.003 12 1 . . . . 180 ILE HD1 . 16329 1 1801 . 1 1 177 177 ILE HD13 H 1 0.919 0.003 12 1 . . . . 180 ILE HD1 . 16329 1 1802 . 1 1 177 177 ILE HG12 H 1 1.542 0.007 12 2 . . . . 180 ILE HG12 . 16329 1 1803 . 1 1 177 177 ILE HG13 H 1 1.347 0.004 12 2 . . . . 180 ILE HG13 . 16329 1 1804 . 1 1 177 177 ILE HG21 H 1 1.020 0.004 12 1 . . . . 180 ILE HG2 . 16329 1 1805 . 1 1 177 177 ILE HG22 H 1 1.020 0.004 12 1 . . . . 180 ILE HG2 . 16329 1 1806 . 1 1 177 177 ILE HG23 H 1 1.020 0.004 12 1 . . . . 180 ILE HG2 . 16329 1 1807 . 1 1 177 177 ILE C C 13 175.885 0.023 2 1 . . . . 180 ILE C . 16329 1 1808 . 1 1 177 177 ILE CA C 13 61.073 0.233 9 1 . . . . 180 ILE CA . 16329 1 1809 . 1 1 177 177 ILE CB C 13 38.696 0.055 9 1 . . . . 180 ILE CB . 16329 1 1810 . 1 1 177 177 ILE CD1 C 13 13.489 0 6 1 . . . . 180 ILE CD1 . 16329 1 1811 . 1 1 177 177 ILE CG1 C 13 27.383 0 12 1 . . . . 180 ILE CG1 . 16329 1 1812 . 1 1 177 177 ILE CG2 C 13 18.060 0 6 1 . . . . 180 ILE CG2 . 16329 1 1813 . 1 1 177 177 ILE N N 15 118.082 0.033 11 1 . . . . 180 ILE N . 16329 1 1814 . 1 1 178 178 LYS H H 1 8.051 0.011 10 1 . . . . 181 LYS H . 16329 1 1815 . 1 1 178 178 LYS C C 13 176.425 0.03 2 1 . . . . 181 LYS C . 16329 1 1816 . 1 1 178 178 LYS CA C 13 56.484 0.014 2 1 . . . . 181 LYS CA . 16329 1 1817 . 1 1 178 178 LYS CB C 13 32.906 0.043 4 1 . . . . 181 LYS CB . 16329 1 1818 . 1 1 178 178 LYS N N 15 123.742 0.083 10 1 . . . . 181 LYS N . 16329 1 1819 . 1 1 179 179 LEU H H 1 8.135 0.006 10 1 . . . . 182 LEU H . 16329 1 1820 . 1 1 179 179 LEU HA H 1 3.971 0.003 13 1 . . . . 182 LEU HA . 16329 1 1821 . 1 1 179 179 LEU HB2 H 1 1.472 0.007 12 2 . . . . 182 LEU HB2 . 16329 1 1822 . 1 1 179 179 LEU HB3 H 1 0.988 0.004 12 2 . . . . 182 LEU HB3 . 16329 1 1823 . 1 1 179 179 LEU HD11 H 1 0.514 0.004 17 2 . . . . 182 LEU HD1 . 16329 1 1824 . 1 1 179 179 LEU HD12 H 1 0.514 0.004 17 2 . . . . 182 LEU HD1 . 16329 1 1825 . 1 1 179 179 LEU HD13 H 1 0.514 0.004 17 2 . . . . 182 LEU HD1 . 16329 1 1826 . 1 1 179 179 LEU HD21 H 1 -0.114 0.005 16 2 . . . . 182 LEU HD2 . 16329 1 1827 . 1 1 179 179 LEU HD22 H 1 -0.114 0.005 16 2 . . . . 182 LEU HD2 . 16329 1 1828 . 1 1 179 179 LEU HD23 H 1 -0.114 0.005 16 2 . . . . 182 LEU HD2 . 16329 1 1829 . 1 1 179 179 LEU HG H 1 1.489 0.004 12 1 . . . . 182 LEU HG . 16329 1 1830 . 1 1 179 179 LEU C C 13 173.942 0 1 1 . . . . 182 LEU C . 16329 1 1831 . 1 1 179 179 LEU CA C 13 57.433 0.009 7 1 . . . . 182 LEU CA . 16329 1 1832 . 1 1 179 179 LEU CB C 13 42.594 0.009 13 1 . . . . 182 LEU CB . 16329 1 1833 . 1 1 179 179 LEU CD1 C 13 27.612 0 5 2 . . . . 182 LEU CD1 . 16329 1 1834 . 1 1 179 179 LEU CD2 C 13 23.804 0.002 12 2 . . . . 182 LEU CD2 . 16329 1 1835 . 1 1 179 179 LEU CG C 13 26.088 0 6 1 . . . . 182 LEU CG . 16329 1 1836 . 1 1 179 179 LEU N N 15 123.259 0.057 10 1 . . . . 182 LEU N . 16329 1 stop_ save_