data_4342 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 4342 _Entry.Title ; Assignment of the 1H, 15N, and 13C Resonances of the C-terminal Domain of Frataxin, the Protein Involved in Friedreich Ataxia. ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 1999-05-04 _Entry.Accession_date 1999-05-04 _Entry.Last_release_date 2000-01-05 _Entry.Original_release_date 2000-01-05 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Giovanna Musco . . . 4342 2 Tina 'de Tommasi' . . . 4342 3 Gunter Stier . . . 4342 4 Bernhard Kolmerer . . . 4342 5 Matthew Bottomle . . . 4342 6 Salvatore Adinolfi . . . 4342 7 Frederick Musket . . . 4342 8 Toby Gibson . . . 4342 9 Tom Frenkiel . . . 4342 10 Annalisa Pastore . . . 4342 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 4342 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 485 4342 '15N chemical shifts' 125 4342 '1H chemical shifts' 853 4342 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2000-01-05 1999-05-04 original author . 4342 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 4342 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code 20016853 _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation ; Musco, G., de Tommasi, T., Stier, G., Kolmerer, B., Bottomle, M., Adinolfi, S., Musket, F., Gibson, T., Frenkiel, T., and Pastore, A., "Assignment of the 1H, 15N, and 13C Resonances of the C-terminal Domain of Frataxin, the Protein Responsible for Friedreich Ataxia," J. Biomol. NMR 15, 87-88 (1999). ; _Citation.Title ; Assignment of the 1H, 15N, and 13C Resonances of the C-terminal Domain of Frataxin, the Protein Involved in Friedreich Ataxia. ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full 'Journal of Biomolecular NMR' _Citation.Journal_volume 15 _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 87 _Citation.Page_last 88 _Citation.Year 1999 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Giovanna Musco . . . 4342 1 2 Tina 'de Tommasi' . . . 4342 1 3 Gunter Stier . . . 4342 1 4 Bernhard Kolmerer . . . 4342 1 5 Matthew Bottomle . . . 4342 1 6 Salvatore Adinolfi . . . 4342 1 7 Frederick Musket . . . 4342 1 8 Toby Gibson . . . 4342 1 9 Tom Frenkiel . . . 4342 1 10 Annalisa Pastore . . . 4342 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID Frataxin 4342 1 'Friedreich ataxia' 4342 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_Frataxin _Assembly.Sf_category assembly _Assembly.Sf_framecode system_Frataxin _Assembly.Entry_ID 4342 _Assembly.ID 1 _Assembly.Name Frataxin _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'not present' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 4342 1 stop_ loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 Frataxin 1 $Frataxin . . . native . . . . . 4342 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 1DLX . 'Chain A, The Solution Structure Of The The C-Terminal Domain Of Frataxin, The Protein Responsible For Friedreich Ataxia' . . . . 4342 1 yes PDB 1EKG . 'Chain A, Mature Human Frataxin' . . . . 4342 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID Frataxin abbreviation 4342 1 Frataxin system 4342 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'mitochondrial protein' 4342 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Frataxin _Entity.Sf_category entity _Entity.Sf_framecode Frataxin _Entity.Entry_ID 4342 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Frataxin _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 ; PMDETTYERLAEETLDSLAE FFEDLADKPYTFEDYDVSFG SGVLTVKLGGDLGTYVINKQ TPNKQIWLSSPSSGPKRYDW TGKNWVYSHDGVSLHELLAA ELTKALKTKLDLSSLAYSGK DA ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 122 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 14683 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-24 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 15233 . hfraG130V . . . . . 99.18 123 99.17 99.17 4.02e-79 . . . . 4342 1 2 no BMRB 15234 . hfraD122Y . . . . . 99.18 123 99.17 99.17 5.52e-79 . . . . 4342 1 3 no BMRB 15235 . hfraW155R . . . . . 99.18 123 99.17 99.17 6.43e-79 . . . . 4342 1 4 no BMRB 15736 . Full-length_Human_frataxin . . . . . 99.18 187 99.17 100.00 1.42e-79 . . . . 4342 1 5 no BMRB 15906 . Frataxin . . . . . 99.18 121 100.00 100.00 2.41e-80 . . . . 4342 1 6 no BMRB 16581 . Frataxin . . . . . 99.18 121 100.00 100.00 2.41e-80 . . . . 4342 1 7 no PDB 1EKG . "Mature Human Frataxin" . . . . . 99.18 127 99.17 100.00 1.06e-79 . . . . 4342 1 8 no PDB 1LY7 . "The Solution Structure Of The The C-Terminal Domain Of Frataxin, The Protein Responsible For Friedreich Ataxia" . . . . . 98.36 121 100.00 100.00 2.52e-79 . . . . 4342 1 9 no PDB 3S4M . "Crystal Structure Of Wild-Type Human Frataxin" . . . . . 99.18 129 99.17 100.00 2.18e-79 . . . . 4342 1 10 no PDB 3S5D . "Crystal Structure Of Human Frataxin Variant W155a" . . . . . 99.18 129 98.35 99.17 6.34e-78 . . . . 4342 1 11 no PDB 3S5E . "Crystal Structure Of Human Frataxin Variant W155r, One Of The Friedreich's Ataxia Point Mutations" . . . . . 99.18 129 98.35 99.17 6.00e-78 . . . . 4342 1 12 no PDB 3S5F . "Crystal Structure Of Human Frataxin Variant W155f" . . . . . 99.18 129 98.35 100.00 1.93e-78 . . . . 4342 1 13 no PDB 3T3J . "1.70 A Structure Of Friedreich's Ataxia Frataxin Variant N146k" . . . . . 99.18 129 98.35 99.17 2.25e-78 . . . . 4342 1 14 no PDB 3T3K . "1.24 A Structure Of Friedreich's Ataxia Frataxin Variant Q148r" . . . . . 99.18 129 98.35 100.00 1.00e-78 . . . . 4342 1 15 no PDB 3T3L . "1.15 A Structure Of Human Frataxin Variant Q153a" . . . . . 99.18 129 98.35 99.17 1.97e-78 . . . . 4342 1 16 no PDB 3T3T . "1.38 A Structure Of Human Frataxin Variant Q148g" . . . . . 99.18 129 98.35 99.17 3.88e-78 . . . . 4342 1 17 no PDB 3T3X . "1.57 A Structure Of Friedreich's Ataxia Frataxin Variant R165c" . . . . . 99.18 129 98.35 99.17 3.22e-78 . . . . 4342 1 18 no GB AAA98508 . "frataxin [Homo sapiens]" . . . . . 99.18 210 97.52 99.17 1.19e-77 . . . . 4342 1 19 no GB AAA98509 . "frataxin [Homo sapiens]" . . . . . 58.20 171 98.59 100.00 6.62e-41 . . . . 4342 1 20 no GB AAA98510 . "frataxin [Homo sapiens]" . . . . . 99.18 210 97.52 99.17 1.19e-77 . . . . 4342 1 21 no GB AAH23633 . "Frataxin [Homo sapiens]" . . . . . 99.18 210 99.17 100.00 1.43e-79 . . . . 4342 1 22 no GB AAH48097 . "Frataxin [Homo sapiens]" . . . . . 99.18 210 99.17 100.00 1.43e-79 . . . . 4342 1 23 no REF NP_000135 . "frataxin, mitochondrial isoform 1 preproprotein [Homo sapiens]" . . . . . 99.18 210 99.17 100.00 1.43e-79 . . . . 4342 1 24 no REF NP_001155178 . "frataxin, mitochondrial isoform 3 preproprotein [Homo sapiens]" . . . . . 58.20 171 98.59 100.00 6.62e-41 . . . . 4342 1 25 no REF NP_001247670 . "frataxin, mitochondrial [Macaca mulatta]" . . . . . 99.18 210 97.52 99.17 1.04e-78 . . . . 4342 1 26 no REF NP_852090 . "frataxin, mitochondrial isoform 2 preproprotein [Homo sapiens]" . . . . . 58.20 196 98.59 100.00 2.99e-41 . . . . 4342 1 27 no REF XP_001137864 . "PREDICTED: frataxin, mitochondrial [Pan troglodytes]" . . . . . 95.08 238 99.14 99.14 8.73e-75 . . . . 4342 1 28 no SP Q16595 . "RecName: Full=Frataxin, mitochondrial; AltName: Full=Friedreich ataxia protein; Short=Fxn; Contains: RecName: Full=Frataxin int" . . . . . 99.18 210 99.17 100.00 1.43e-79 . . . . 4342 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID Frataxin abbreviation 4342 1 Frataxin common 4342 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 89 PRO . 4342 1 2 90 MET . 4342 1 3 91 ASP . 4342 1 4 92 GLU . 4342 1 5 93 THR . 4342 1 6 94 THR . 4342 1 7 95 TYR . 4342 1 8 96 GLU . 4342 1 9 97 ARG . 4342 1 10 98 LEU . 4342 1 11 99 ALA . 4342 1 12 100 GLU . 4342 1 13 101 GLU . 4342 1 14 102 THR . 4342 1 15 103 LEU . 4342 1 16 104 ASP . 4342 1 17 105 SER . 4342 1 18 106 LEU . 4342 1 19 107 ALA . 4342 1 20 108 GLU . 4342 1 21 109 PHE . 4342 1 22 110 PHE . 4342 1 23 111 GLU . 4342 1 24 112 ASP . 4342 1 25 113 LEU . 4342 1 26 114 ALA . 4342 1 27 115 ASP . 4342 1 28 116 LYS . 4342 1 29 117 PRO . 4342 1 30 118 TYR . 4342 1 31 119 THR . 4342 1 32 120 PHE . 4342 1 33 121 GLU . 4342 1 34 122 ASP . 4342 1 35 123 TYR . 4342 1 36 124 ASP . 4342 1 37 125 VAL . 4342 1 38 126 SER . 4342 1 39 127 PHE . 4342 1 40 128 GLY . 4342 1 41 129 SER . 4342 1 42 130 GLY . 4342 1 43 131 VAL . 4342 1 44 132 LEU . 4342 1 45 133 THR . 4342 1 46 134 VAL . 4342 1 47 135 LYS . 4342 1 48 136 LEU . 4342 1 49 137 GLY . 4342 1 50 138 GLY . 4342 1 51 139 ASP . 4342 1 52 140 LEU . 4342 1 53 141 GLY . 4342 1 54 142 THR . 4342 1 55 143 TYR . 4342 1 56 144 VAL . 4342 1 57 145 ILE . 4342 1 58 146 ASN . 4342 1 59 147 LYS . 4342 1 60 148 GLN . 4342 1 61 149 THR . 4342 1 62 150 PRO . 4342 1 63 151 ASN . 4342 1 64 152 LYS . 4342 1 65 153 GLN . 4342 1 66 154 ILE . 4342 1 67 155 TRP . 4342 1 68 156 LEU . 4342 1 69 157 SER . 4342 1 70 158 SER . 4342 1 71 159 PRO . 4342 1 72 160 SER . 4342 1 73 161 SER . 4342 1 74 162 GLY . 4342 1 75 163 PRO . 4342 1 76 164 LYS . 4342 1 77 165 ARG . 4342 1 78 166 TYR . 4342 1 79 167 ASP . 4342 1 80 168 TRP . 4342 1 81 169 THR . 4342 1 82 170 GLY . 4342 1 83 171 LYS . 4342 1 84 172 ASN . 4342 1 85 173 TRP . 4342 1 86 174 VAL . 4342 1 87 175 TYR . 4342 1 88 176 SER . 4342 1 89 177 HIS . 4342 1 90 178 ASP . 4342 1 91 179 GLY . 4342 1 92 180 VAL . 4342 1 93 181 SER . 4342 1 94 182 LEU . 4342 1 95 183 HIS . 4342 1 96 184 GLU . 4342 1 97 185 LEU . 4342 1 98 186 LEU . 4342 1 99 187 ALA . 4342 1 100 188 ALA . 4342 1 101 189 GLU . 4342 1 102 190 LEU . 4342 1 103 191 THR . 4342 1 104 192 LYS . 4342 1 105 193 ALA . 4342 1 106 194 LEU . 4342 1 107 195 LYS . 4342 1 108 196 THR . 4342 1 109 197 LYS . 4342 1 110 198 LEU . 4342 1 111 199 ASP . 4342 1 112 200 LEU . 4342 1 113 201 SER . 4342 1 114 202 SER . 4342 1 115 203 LEU . 4342 1 116 204 ALA . 4342 1 117 205 TYR . 4342 1 118 206 SER . 4342 1 119 207 GLY . 4342 1 120 208 LYS . 4342 1 121 209 ASP . 4342 1 122 210 ALA . 4342 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 . PRO 1 1 4342 1 . MET 2 2 4342 1 . ASP 3 3 4342 1 . GLU 4 4 4342 1 . THR 5 5 4342 1 . THR 6 6 4342 1 . TYR 7 7 4342 1 . GLU 8 8 4342 1 . ARG 9 9 4342 1 . LEU 10 10 4342 1 . ALA 11 11 4342 1 . GLU 12 12 4342 1 . GLU 13 13 4342 1 . THR 14 14 4342 1 . LEU 15 15 4342 1 . ASP 16 16 4342 1 . SER 17 17 4342 1 . LEU 18 18 4342 1 . ALA 19 19 4342 1 . GLU 20 20 4342 1 . PHE 21 21 4342 1 . PHE 22 22 4342 1 . GLU 23 23 4342 1 . ASP 24 24 4342 1 . LEU 25 25 4342 1 . ALA 26 26 4342 1 . ASP 27 27 4342 1 . LYS 28 28 4342 1 . PRO 29 29 4342 1 . TYR 30 30 4342 1 . THR 31 31 4342 1 . PHE 32 32 4342 1 . GLU 33 33 4342 1 . ASP 34 34 4342 1 . TYR 35 35 4342 1 . ASP 36 36 4342 1 . VAL 37 37 4342 1 . SER 38 38 4342 1 . PHE 39 39 4342 1 . GLY 40 40 4342 1 . SER 41 41 4342 1 . GLY 42 42 4342 1 . VAL 43 43 4342 1 . LEU 44 44 4342 1 . THR 45 45 4342 1 . VAL 46 46 4342 1 . LYS 47 47 4342 1 . LEU 48 48 4342 1 . GLY 49 49 4342 1 . GLY 50 50 4342 1 . ASP 51 51 4342 1 . LEU 52 52 4342 1 . GLY 53 53 4342 1 . THR 54 54 4342 1 . TYR 55 55 4342 1 . VAL 56 56 4342 1 . ILE 57 57 4342 1 . ASN 58 58 4342 1 . LYS 59 59 4342 1 . GLN 60 60 4342 1 . THR 61 61 4342 1 . PRO 62 62 4342 1 . ASN 63 63 4342 1 . LYS 64 64 4342 1 . GLN 65 65 4342 1 . ILE 66 66 4342 1 . TRP 67 67 4342 1 . LEU 68 68 4342 1 . SER 69 69 4342 1 . SER 70 70 4342 1 . PRO 71 71 4342 1 . SER 72 72 4342 1 . SER 73 73 4342 1 . GLY 74 74 4342 1 . PRO 75 75 4342 1 . LYS 76 76 4342 1 . ARG 77 77 4342 1 . TYR 78 78 4342 1 . ASP 79 79 4342 1 . TRP 80 80 4342 1 . THR 81 81 4342 1 . GLY 82 82 4342 1 . LYS 83 83 4342 1 . ASN 84 84 4342 1 . TRP 85 85 4342 1 . VAL 86 86 4342 1 . TYR 87 87 4342 1 . SER 88 88 4342 1 . HIS 89 89 4342 1 . ASP 90 90 4342 1 . GLY 91 91 4342 1 . VAL 92 92 4342 1 . SER 93 93 4342 1 . LEU 94 94 4342 1 . HIS 95 95 4342 1 . GLU 96 96 4342 1 . LEU 97 97 4342 1 . LEU 98 98 4342 1 . ALA 99 99 4342 1 . ALA 100 100 4342 1 . GLU 101 101 4342 1 . LEU 102 102 4342 1 . THR 103 103 4342 1 . LYS 104 104 4342 1 . ALA 105 105 4342 1 . LEU 106 106 4342 1 . LYS 107 107 4342 1 . THR 108 108 4342 1 . LYS 109 109 4342 1 . LEU 110 110 4342 1 . ASP 111 111 4342 1 . LEU 112 112 4342 1 . SER 113 113 4342 1 . SER 114 114 4342 1 . LEU 115 115 4342 1 . ALA 116 116 4342 1 . TYR 117 117 4342 1 . SER 118 118 4342 1 . GLY 119 119 4342 1 . LYS 120 120 4342 1 . ASP 121 121 4342 1 . ALA 122 122 4342 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 4342 _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 $Frataxin . 9606 . . 'Homo sapiens' human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . mitochondria . . . . . . FRDA . . . . 4342 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 4342 _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 $Frataxin . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4342 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_one _Sample.Sf_category sample _Sample.Sf_framecode sample_one _Sample.Entry_ID 4342 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 Frataxin '[U-95% 13C; U-90% 15N]' . . 1 $Frataxin . . 1.0 . . mM . . . . 4342 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions _Sample_condition_list.Entry_ID 4342 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6.8 0.3 na 4342 1 temperature 300 1 K 4342 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_one _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_one _NMR_spectrometer.Entry_ID 4342 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model 'Unity plus' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_two _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_two _NMR_spectrometer.Entry_ID 4342 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model 'Unity plus' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_NMR_spectrometer_three _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_three _NMR_spectrometer.Entry_ID 4342 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 4342 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_one Varian 'Unity plus' . 600 . . . 4342 1 2 NMR_spectrometer_two Varian 'Unity plus' . 500 . . . 4342 1 3 NMR_spectrometer_three Bruker DMX . 500 . . . 4342 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 4342 _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 '1H-1H -15N NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4342 1 2 '13C-1H-1H NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4342 1 3 '3D 1H-13C-1HHCCH-TOCSY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4342 1 4 '3D HNCA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4342 1 5 '3D HN(CO)CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4342 1 6 '3D CBCA(CO)NH' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4342 1 7 '3D HNCACB' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4342 1 8 '3D HNHA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4342 1 9 '3D HNHB' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4342 1 stop_ save_ save_NMR_spec_expt__0_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_1 _NMR_spec_expt.Entry_ID 4342 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '1H-1H -15N NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 4342 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name '13C-1H-1H NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_3 _NMR_spec_expt.Entry_ID 4342 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name '3D 1H-13C-1HHCCH-TOCSY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_4 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_4 _NMR_spec_expt.Entry_ID 4342 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name '3D HNCA' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_5 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_5 _NMR_spec_expt.Entry_ID 4342 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name '3D HN(CO)CA' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_6 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_6 _NMR_spec_expt.Entry_ID 4342 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name '3D CBCA(CO)NH' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_7 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_7 _NMR_spec_expt.Entry_ID 4342 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name '3D HNCACB' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_8 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_8 _NMR_spec_expt.Entry_ID 4342 _NMR_spec_expt.ID 8 _NMR_spec_expt.Name '3D HNHA' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_9 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_9 _NMR_spec_expt.Entry_ID 4342 _NMR_spec_expt.ID 9 _NMR_spec_expt.Name '3D HNHB' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 4342 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 4342 1 H 1 DSS 'methyl protons' . . . . ppm 0 external direct . . . . . . . . . . 4342 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 4342 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts _Assigned_chem_shift_list.Entry_ID 4342 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $sample_one . 4342 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 PRO CD C 13 50.6 . . 1 . . . . . . . . 4342 1 2 . 1 1 1 1 PRO CA C 13 62.7 . . 1 . . . . . . . . 4342 1 3 . 1 1 1 1 PRO HA H 1 4.45 . . 1 . . . . . . . . 4342 1 4 . 1 1 1 1 PRO CB C 13 32.2 . . 1 . . . . . . . . 4342 1 5 . 1 1 1 1 PRO HB2 H 1 2.30 . . 1 . . . . . . . . 4342 1 6 . 1 1 1 1 PRO HB3 H 1 2.30 . . 1 . . . . . . . . 4342 1 7 . 1 1 1 1 PRO CG C 13 27.0 . . 1 . . . . . . . . 4342 1 8 . 1 1 1 1 PRO HG2 H 1 1.95 . . 1 . . . . . . . . 4342 1 9 . 1 1 1 1 PRO HG3 H 1 1.95 . . 1 . . . . . . . . 4342 1 10 . 1 1 1 1 PRO HD2 H 1 3.62 . . 2 . . . . . . . . 4342 1 11 . 1 1 1 1 PRO HD3 H 1 3.27 . . 2 . . . . . . . . 4342 1 12 . 1 1 2 2 MET N N 15 123.8 . . 1 . . . . . . . . 4342 1 13 . 1 1 2 2 MET H H 1 8.67 . . 1 . . . . . . . . 4342 1 14 . 1 1 2 2 MET CA C 13 55.8 . . 1 . . . . . . . . 4342 1 15 . 1 1 2 2 MET HA H 1 4.54 . . 1 . . . . . . . . 4342 1 16 . 1 1 2 2 MET CB C 13 34.9 . . 1 . . . . . . . . 4342 1 17 . 1 1 2 2 MET HB2 H 1 2.12 . . 1 . . . . . . . . 4342 1 18 . 1 1 2 2 MET HB3 H 1 2.12 . . 1 . . . . . . . . 4342 1 19 . 1 1 2 2 MET CG C 13 31.8 . . 1 . . . . . . . . 4342 1 20 . 1 1 2 2 MET HG2 H 1 2.66 . . 2 . . . . . . . . 4342 1 21 . 1 1 2 2 MET HG3 H 1 2.51 . . 2 . . . . . . . . 4342 1 22 . 1 1 3 3 ASP N N 15 124.6 . . 1 . . . . . . . . 4342 1 23 . 1 1 3 3 ASP H H 1 8.20 . . 1 . . . . . . . . 4342 1 24 . 1 1 3 3 ASP CA C 13 53.0 . . 1 . . . . . . . . 4342 1 25 . 1 1 3 3 ASP HA H 1 4.75 . . 1 . . . . . . . . 4342 1 26 . 1 1 3 3 ASP CB C 13 41.9 . . 1 . . . . . . . . 4342 1 27 . 1 1 3 3 ASP HB2 H 1 3.09 . . 2 . . . . . . . . 4342 1 28 . 1 1 3 3 ASP HB3 H 1 2.77 . . 2 . . . . . . . . 4342 1 29 . 1 1 4 4 GLU N N 15 122.8 . . 1 . . . . . . . . 4342 1 30 . 1 1 4 4 GLU H H 1 8.84 . . 1 . . . . . . . . 4342 1 31 . 1 1 4 4 GLU CA C 13 61.1 . . 1 . . . . . . . . 4342 1 32 . 1 1 4 4 GLU HA H 1 3.97 . . 1 . . . . . . . . 4342 1 33 . 1 1 4 4 GLU CB C 13 30.1 . . 1 . . . . . . . . 4342 1 34 . 1 1 4 4 GLU HB2 H 1 2.15 . . 1 . . . . . . . . 4342 1 35 . 1 1 4 4 GLU HB3 H 1 2.15 . . 1 . . . . . . . . 4342 1 36 . 1 1 4 4 GLU CG C 13 37.2 . . 1 . . . . . . . . 4342 1 37 . 1 1 4 4 GLU HG2 H 1 2.35 . . 1 . . . . . . . . 4342 1 38 . 1 1 4 4 GLU HG3 H 1 2.35 . . 1 . . . . . . . . 4342 1 39 . 1 1 5 5 THR N N 15 116.9 . . 1 . . . . . . . . 4342 1 40 . 1 1 5 5 THR H H 1 8.21 . . 1 . . . . . . . . 4342 1 41 . 1 1 5 5 THR CA C 13 66.1 . . 1 . . . . . . . . 4342 1 42 . 1 1 5 5 THR HA H 1 4.03 . . 1 . . . . . . . . 4342 1 43 . 1 1 5 5 THR CB C 13 68.5 . . 1 . . . . . . . . 4342 1 44 . 1 1 5 5 THR HB H 1 4.19 . . 1 . . . . . . . . 4342 1 45 . 1 1 5 5 THR HG21 H 1 1.26 . . 1 . . . . . . . . 4342 1 46 . 1 1 5 5 THR HG22 H 1 1.26 . . 1 . . . . . . . . 4342 1 47 . 1 1 5 5 THR HG23 H 1 1.26 . . 1 . . . . . . . . 4342 1 48 . 1 1 5 5 THR CG2 C 13 21.3 . . 1 . . . . . . . . 4342 1 49 . 1 1 5 5 THR C C 13 177.7 . . 1 . . . . . . . . 4342 1 50 . 1 1 6 6 THR N N 15 122.8 . . 1 . . . . . . . . 4342 1 51 . 1 1 6 6 THR H H 1 8.25 . . 1 . . . . . . . . 4342 1 52 . 1 1 6 6 THR CA C 13 66.7 . . 1 . . . . . . . . 4342 1 53 . 1 1 6 6 THR HA H 1 3.84 . . 1 . . . . . . . . 4342 1 54 . 1 1 6 6 THR CB C 13 68.7 . . 1 . . . . . . . . 4342 1 55 . 1 1 6 6 THR HB H 1 4.12 . . 1 . . . . . . . . 4342 1 56 . 1 1 6 6 THR HG21 H 1 1.13 . . 1 . . . . . . . . 4342 1 57 . 1 1 6 6 THR HG22 H 1 1.13 . . 1 . . . . . . . . 4342 1 58 . 1 1 6 6 THR HG23 H 1 1.13 . . 1 . . . . . . . . 4342 1 59 . 1 1 6 6 THR CG2 C 13 21.5 . . 1 . . . . . . . . 4342 1 60 . 1 1 7 7 TYR N N 15 122.8 . . 1 . . . . . . . . 4342 1 61 . 1 1 7 7 TYR H H 1 8.16 . . 1 . . . . . . . . 4342 1 62 . 1 1 7 7 TYR CA C 13 62.5 . . 1 . . . . . . . . 4342 1 63 . 1 1 7 7 TYR HA H 1 3.87 . . 1 . . . . . . . . 4342 1 64 . 1 1 7 7 TYR CB C 13 37.7 . . 1 . . . . . . . . 4342 1 65 . 1 1 7 7 TYR HB2 H 1 3.19 . . 2 . . . . . . . . 4342 1 66 . 1 1 7 7 TYR HB3 H 1 3.03 . . 2 . . . . . . . . 4342 1 67 . 1 1 7 7 TYR HD1 H 1 7.16 . . 1 . . . . . . . . 4342 1 68 . 1 1 7 7 TYR HD2 H 1 7.16 . . 1 . . . . . . . . 4342 1 69 . 1 1 7 7 TYR HE1 H 1 6.68 . . 1 . . . . . . . . 4342 1 70 . 1 1 7 7 TYR HE2 H 1 6.68 . . 1 . . . . . . . . 4342 1 71 . 1 1 7 7 TYR CD1 C 13 132.5 . . 1 . . . . . . . . 4342 1 72 . 1 1 7 7 TYR CE1 C 13 117.7 . . 1 . . . . . . . . 4342 1 73 . 1 1 8 8 GLU N N 15 120.5 . . 1 . . . . . . . . 4342 1 74 . 1 1 8 8 GLU H H 1 8.36 . . 1 . . . . . . . . 4342 1 75 . 1 1 8 8 GLU CA C 13 60.1 . . 1 . . . . . . . . 4342 1 76 . 1 1 8 8 GLU HA H 1 3.47 . . 1 . . . . . . . . 4342 1 77 . 1 1 8 8 GLU CB C 13 29.4 . . 1 . . . . . . . . 4342 1 78 . 1 1 8 8 GLU HB2 H 1 2.00 . . 1 . . . . . . . . 4342 1 79 . 1 1 8 8 GLU HB3 H 1 2.00 . . 1 . . . . . . . . 4342 1 80 . 1 1 8 8 GLU CG C 13 36.5 . . 1 . . . . . . . . 4342 1 81 . 1 1 8 8 GLU HG2 H 1 2.42 . . 2 . . . . . . . . 4342 1 82 . 1 1 8 8 GLU HG3 H 1 2.12 . . 2 . . . . . . . . 4342 1 83 . 1 1 8 8 GLU C C 13 175.4 . . 1 . . . . . . . . 4342 1 84 . 1 1 9 9 ARG N N 15 120.0 . . 1 . . . . . . . . 4342 1 85 . 1 1 9 9 ARG H H 1 7.35 . . 1 . . . . . . . . 4342 1 86 . 1 1 9 9 ARG CA C 13 59.2 . . 1 . . . . . . . . 4342 1 87 . 1 1 9 9 ARG HA H 1 4.06 . . 1 . . . . . . . . 4342 1 88 . 1 1 9 9 ARG CB C 13 30.1 . . 1 . . . . . . . . 4342 1 89 . 1 1 9 9 ARG HB2 H 1 1.86 . . 1 . . . . . . . . 4342 1 90 . 1 1 9 9 ARG HB3 H 1 1.86 . . 1 . . . . . . . . 4342 1 91 . 1 1 9 9 ARG CG C 13 27.7 . . 1 . . . . . . . . 4342 1 92 . 1 1 9 9 ARG HG2 H 1 1.71 . . 2 . . . . . . . . 4342 1 93 . 1 1 9 9 ARG HG3 H 1 1.57 . . 2 . . . . . . . . 4342 1 94 . 1 1 9 9 ARG CD C 13 43.3 . . 1 . . . . . . . . 4342 1 95 . 1 1 9 9 ARG HD2 H 1 3.27 . . 2 . . . . . . . . 4342 1 96 . 1 1 9 9 ARG HD3 H 1 3.16 . . 2 . . . . . . . . 4342 1 97 . 1 1 9 9 ARG C C 13 178.3 . . 1 . . . . . . . . 4342 1 98 . 1 1 10 10 LEU N N 15 121.4 . . 1 . . . . . . . . 4342 1 99 . 1 1 10 10 LEU H H 1 7.96 . . 1 . . . . . . . . 4342 1 100 . 1 1 10 10 LEU CA C 13 57.8 . . 1 . . . . . . . . 4342 1 101 . 1 1 10 10 LEU HA H 1 3.71 . . 1 . . . . . . . . 4342 1 102 . 1 1 10 10 LEU CB C 13 42.3 . . 1 . . . . . . . . 4342 1 103 . 1 1 10 10 LEU HB2 H 1 1.25 . . 2 . . . . . . . . 4342 1 104 . 1 1 10 10 LEU HB3 H 1 0.45 . . 2 . . . . . . . . 4342 1 105 . 1 1 10 10 LEU CG C 13 26.4 . . 1 . . . . . . . . 4342 1 106 . 1 1 10 10 LEU HG H 1 1.20 . . 1 . . . . . . . . 4342 1 107 . 1 1 10 10 LEU HD11 H 1 -0.16 . . 2 . . . . . . . . 4342 1 108 . 1 1 10 10 LEU HD12 H 1 -0.16 . . 2 . . . . . . . . 4342 1 109 . 1 1 10 10 LEU HD13 H 1 -0.16 . . 2 . . . . . . . . 4342 1 110 . 1 1 10 10 LEU HD21 H 1 -0.60 . . 2 . . . . . . . . 4342 1 111 . 1 1 10 10 LEU HD22 H 1 -0.60 . . 2 . . . . . . . . 4342 1 112 . 1 1 10 10 LEU HD23 H 1 -0.60 . . 2 . . . . . . . . 4342 1 113 . 1 1 10 10 LEU CD1 C 13 22.3 . . 1 . . . . . . . . 4342 1 114 . 1 1 10 10 LEU CD2 C 13 24.3 . . 1 . . . . . . . . 4342 1 115 . 1 1 10 10 LEU C C 13 178.3 . . 1 . . . . . . . . 4342 1 116 . 1 1 11 11 ALA N N 15 126.3 . . 1 . . . . . . . . 4342 1 117 . 1 1 11 11 ALA H H 1 9.17 . . 1 . . . . . . . . 4342 1 118 . 1 1 11 11 ALA CA C 13 55.9 . . 1 . . . . . . . . 4342 1 119 . 1 1 11 11 ALA HA H 1 3.62 . . 1 . . . . . . . . 4342 1 120 . 1 1 11 11 ALA HB1 H 1 0.74 . . 1 . . . . . . . . 4342 1 121 . 1 1 11 11 ALA HB2 H 1 0.74 . . 1 . . . . . . . . 4342 1 122 . 1 1 11 11 ALA HB3 H 1 0.74 . . 1 . . . . . . . . 4342 1 123 . 1 1 11 11 ALA CB C 13 17.8 . . 1 . . . . . . . . 4342 1 124 . 1 1 11 11 ALA C C 13 173.3 . . 1 . . . . . . . . 4342 1 125 . 1 1 12 12 GLU N N 15 120.5 . . 1 . . . . . . . . 4342 1 126 . 1 1 12 12 GLU H H 1 8.13 . . 1 . . . . . . . . 4342 1 127 . 1 1 12 12 GLU CA C 13 60.2 . . 1 . . . . . . . . 4342 1 128 . 1 1 12 12 GLU HA H 1 3.94 . . 1 . . . . . . . . 4342 1 129 . 1 1 12 12 GLU CB C 13 29.1 . . 1 . . . . . . . . 4342 1 130 . 1 1 12 12 GLU HB2 H 1 2.27 . . 2 . . . . . . . . 4342 1 131 . 1 1 12 12 GLU HB3 H 1 2.14 . . 2 . . . . . . . . 4342 1 132 . 1 1 12 12 GLU CG C 13 36.2 . . 1 . . . . . . . . 4342 1 133 . 1 1 12 12 GLU HG2 H 1 2.41 . . 1 . . . . . . . . 4342 1 134 . 1 1 12 12 GLU HG3 H 1 2.41 . . 1 . . . . . . . . 4342 1 135 . 1 1 12 12 GLU C C 13 178.9 . . 1 . . . . . . . . 4342 1 136 . 1 1 13 13 GLU N N 15 120.2 . . 1 . . . . . . . . 4342 1 137 . 1 1 13 13 GLU H H 1 8.41 . . 1 . . . . . . . . 4342 1 138 . 1 1 13 13 GLU CA C 13 60.0 . . 1 . . . . . . . . 4342 1 139 . 1 1 13 13 GLU HA H 1 4.17 . . 1 . . . . . . . . 4342 1 140 . 1 1 13 13 GLU CB C 13 31.1 . . 1 . . . . . . . . 4342 1 141 . 1 1 13 13 GLU HB2 H 1 2.39 . . 2 . . . . . . . . 4342 1 142 . 1 1 13 13 GLU HB3 H 1 2.19 . . 2 . . . . . . . . 4342 1 143 . 1 1 13 13 GLU CG C 13 37.2 . . 1 . . . . . . . . 4342 1 144 . 1 1 13 13 GLU HG2 H 1 2.71 . . 1 . . . . . . . . 4342 1 145 . 1 1 13 13 GLU HG3 H 1 2.71 . . 1 . . . . . . . . 4342 1 146 . 1 1 13 13 GLU C C 13 176.6 . . 1 . . . . . . . . 4342 1 147 . 1 1 14 14 THR N N 15 118.3 . . 1 . . . . . . . . 4342 1 148 . 1 1 14 14 THR H H 1 8.17 . . 1 . . . . . . . . 4342 1 149 . 1 1 14 14 THR CA C 13 68.3 . . 1 . . . . . . . . 4342 1 150 . 1 1 14 14 THR HA H 1 3.95 . . 1 . . . . . . . . 4342 1 151 . 1 1 14 14 THR CB C 13 69.3 . . 1 . . . . . . . . 4342 1 152 . 1 1 14 14 THR HB H 1 4.27 . . 1 . . . . . . . . 4342 1 153 . 1 1 14 14 THR HG21 H 1 1.12 . . 1 . . . . . . . . 4342 1 154 . 1 1 14 14 THR HG22 H 1 1.12 . . 1 . . . . . . . . 4342 1 155 . 1 1 14 14 THR HG23 H 1 1.12 . . 1 . . . . . . . . 4342 1 156 . 1 1 14 14 THR HG1 H 1 5.58 . . 1 . . . . . . . . 4342 1 157 . 1 1 14 14 THR CG2 C 13 19.7 . . 1 . . . . . . . . 4342 1 158 . 1 1 15 15 LEU N N 15 125.2 . . 1 . . . . . . . . 4342 1 159 . 1 1 15 15 LEU H H 1 8.46 . . 1 . . . . . . . . 4342 1 160 . 1 1 15 15 LEU CA C 13 58.6 . . 1 . . . . . . . . 4342 1 161 . 1 1 15 15 LEU HA H 1 3.82 . . 1 . . . . . . . . 4342 1 162 . 1 1 15 15 LEU CB C 13 41.5 . . 1 . . . . . . . . 4342 1 163 . 1 1 15 15 LEU HB2 H 1 1.98 . . 2 . . . . . . . . 4342 1 164 . 1 1 15 15 LEU HB3 H 1 1.42 . . 2 . . . . . . . . 4342 1 165 . 1 1 15 15 LEU CG C 13 27.8 . . 1 . . . . . . . . 4342 1 166 . 1 1 15 15 LEU HG H 1 1.63 . . 1 . . . . . . . . 4342 1 167 . 1 1 15 15 LEU HD11 H 1 0.73 . . 2 . . . . . . . . 4342 1 168 . 1 1 15 15 LEU HD12 H 1 0.73 . . 2 . . . . . . . . 4342 1 169 . 1 1 15 15 LEU HD13 H 1 0.73 . . 2 . . . . . . . . 4342 1 170 . 1 1 15 15 LEU HD21 H 1 0.61 . . 2 . . . . . . . . 4342 1 171 . 1 1 15 15 LEU HD22 H 1 0.61 . . 2 . . . . . . . . 4342 1 172 . 1 1 15 15 LEU HD23 H 1 0.61 . . 2 . . . . . . . . 4342 1 173 . 1 1 15 15 LEU CD1 C 13 26.1 . . 1 . . . . . . . . 4342 1 174 . 1 1 15 15 LEU CD2 C 13 23.0 . . 1 . . . . . . . . 4342 1 175 . 1 1 16 16 ASP N N 15 122.4 . . 1 . . . . . . . . 4342 1 176 . 1 1 16 16 ASP H H 1 9.04 . . 1 . . . . . . . . 4342 1 177 . 1 1 16 16 ASP CA C 13 57.7 . . 1 . . . . . . . . 4342 1 178 . 1 1 16 16 ASP HA H 1 4.28 . . 1 . . . . . . . . 4342 1 179 . 1 1 16 16 ASP CB C 13 41.3 . . 1 . . . . . . . . 4342 1 180 . 1 1 16 16 ASP HB2 H 1 2.87 . . 2 . . . . . . . . 4342 1 181 . 1 1 16 16 ASP HB3 H 1 2.68 . . 2 . . . . . . . . 4342 1 182 . 1 1 16 16 ASP C C 13 177.2 . . 1 . . . . . . . . 4342 1 183 . 1 1 17 17 SER N N 15 114.6 . . 1 . . . . . . . . 4342 1 184 . 1 1 17 17 SER H H 1 7.27 . . 1 . . . . . . . . 4342 1 185 . 1 1 17 17 SER CA C 13 61.2 . . 1 . . . . . . . . 4342 1 186 . 1 1 17 17 SER HA H 1 4.33 . . 1 . . . . . . . . 4342 1 187 . 1 1 17 17 SER CB C 13 63.8 . . 1 . . . . . . . . 4342 1 188 . 1 1 17 17 SER HB2 H 1 4.24 . . 2 . . . . . . . . 4342 1 189 . 1 1 17 17 SER HB3 H 1 4.14 . . 2 . . . . . . . . 4342 1 190 . 1 1 17 17 SER C C 13 178.3 . . 1 . . . . . . . . 4342 1 191 . 1 1 18 18 LEU N N 15 121.3 . . 1 . . . . . . . . 4342 1 192 . 1 1 18 18 LEU H H 1 7.52 . . 1 . . . . . . . . 4342 1 193 . 1 1 18 18 LEU CA C 13 58.2 . . 1 . . . . . . . . 4342 1 194 . 1 1 18 18 LEU HA H 1 4.00 . . 1 . . . . . . . . 4342 1 195 . 1 1 18 18 LEU CB C 13 42.8 . . 1 . . . . . . . . 4342 1 196 . 1 1 18 18 LEU HB2 H 1 1.91 . . 2 . . . . . . . . 4342 1 197 . 1 1 18 18 LEU HB3 H 1 1.19 . . 2 . . . . . . . . 4342 1 198 . 1 1 18 18 LEU CG C 13 26.9 . . 1 . . . . . . . . 4342 1 199 . 1 1 18 18 LEU HG H 1 1.77 . . 1 . . . . . . . . 4342 1 200 . 1 1 18 18 LEU HD11 H 1 0.53 . . 2 . . . . . . . . 4342 1 201 . 1 1 18 18 LEU HD12 H 1 0.53 . . 2 . . . . . . . . 4342 1 202 . 1 1 18 18 LEU HD13 H 1 0.53 . . 2 . . . . . . . . 4342 1 203 . 1 1 18 18 LEU HD21 H 1 0.42 . . 2 . . . . . . . . 4342 1 204 . 1 1 18 18 LEU HD22 H 1 0.42 . . 2 . . . . . . . . 4342 1 205 . 1 1 18 18 LEU HD23 H 1 0.42 . . 2 . . . . . . . . 4342 1 206 . 1 1 18 18 LEU CD1 C 13 24.8 . . 1 . . . . . . . . 4342 1 207 . 1 1 18 18 LEU CD2 C 13 25.4 . . 1 . . . . . . . . 4342 1 208 . 1 1 18 18 LEU C C 13 178.2 . . 1 . . . . . . . . 4342 1 209 . 1 1 19 19 ALA N N 15 124.7 . . 1 . . . . . . . . 4342 1 210 . 1 1 19 19 ALA H H 1 8.90 . . 1 . . . . . . . . 4342 1 211 . 1 1 19 19 ALA CA C 13 56.5 . . 1 . . . . . . . . 4342 1 212 . 1 1 19 19 ALA HA H 1 3.76 . . 1 . . . . . . . . 4342 1 213 . 1 1 19 19 ALA HB1 H 1 0.85 . . 1 . . . . . . . . 4342 1 214 . 1 1 19 19 ALA HB2 H 1 0.85 . . 1 . . . . . . . . 4342 1 215 . 1 1 19 19 ALA HB3 H 1 0.85 . . 1 . . . . . . . . 4342 1 216 . 1 1 19 19 ALA CB C 13 17.6 . . 1 . . . . . . . . 4342 1 217 . 1 1 20 20 GLU N N 15 119.9 . . 1 . . . . . . . . 4342 1 218 . 1 1 20 20 GLU H H 1 7.75 . . 1 . . . . . . . . 4342 1 219 . 1 1 20 20 GLU CA C 13 59.6 . . 1 . . . . . . . . 4342 1 220 . 1 1 20 20 GLU HA H 1 3.99 . . 1 . . . . . . . . 4342 1 221 . 1 1 20 20 GLU CB C 13 29.7 . . 1 . . . . . . . . 4342 1 222 . 1 1 20 20 GLU HB2 H 1 2.19 . . 1 . . . . . . . . 4342 1 223 . 1 1 20 20 GLU HB3 H 1 2.19 . . 1 . . . . . . . . 4342 1 224 . 1 1 20 20 GLU CG C 13 36.7 . . 1 . . . . . . . . 4342 1 225 . 1 1 20 20 GLU HG2 H 1 2.45 . . 2 . . . . . . . . 4342 1 226 . 1 1 20 20 GLU HG3 H 1 2.27 . . 2 . . . . . . . . 4342 1 227 . 1 1 20 20 GLU C C 13 178.9 . . 1 . . . . . . . . 4342 1 228 . 1 1 21 21 PHE N N 15 123.3 . . 1 . . . . . . . . 4342 1 229 . 1 1 21 21 PHE H H 1 7.64 . . 1 . . . . . . . . 4342 1 230 . 1 1 21 21 PHE CA C 13 61.4 . . 1 . . . . . . . . 4342 1 231 . 1 1 21 21 PHE HA H 1 4.17 . . 1 . . . . . . . . 4342 1 232 . 1 1 21 21 PHE CB C 13 39.4 . . 1 . . . . . . . . 4342 1 233 . 1 1 21 21 PHE HB2 H 1 3.15 . . 1 . . . . . . . . 4342 1 234 . 1 1 21 21 PHE HB3 H 1 3.15 . . 1 . . . . . . . . 4342 1 235 . 1 1 21 21 PHE HD1 H 1 6.49 . . 1 . . . . . . . . 4342 1 236 . 1 1 21 21 PHE HD2 H 1 6.49 . . 1 . . . . . . . . 4342 1 237 . 1 1 21 21 PHE HE1 H 1 6.76 . . 1 . . . . . . . . 4342 1 238 . 1 1 21 21 PHE HE2 H 1 6.76 . . 1 . . . . . . . . 4342 1 239 . 1 1 21 21 PHE CD1 C 13 131.0 . . 1 . . . . . . . . 4342 1 240 . 1 1 21 21 PHE CE1 C 13 129.5 . . 1 . . . . . . . . 4342 1 241 . 1 1 21 21 PHE CZ C 13 128.1 . . 1 . . . . . . . . 4342 1 242 . 1 1 21 21 PHE HZ H 1 6.86 . . 1 . . . . . . . . 4342 1 243 . 1 1 21 21 PHE C C 13 178.6 . . 1 . . . . . . . . 4342 1 244 . 1 1 22 22 PHE N N 15 119.1 . . 1 . . . . . . . . 4342 1 245 . 1 1 22 22 PHE H H 1 8.78 . . 1 . . . . . . . . 4342 1 246 . 1 1 22 22 PHE CA C 13 63.0 . . 1 . . . . . . . . 4342 1 247 . 1 1 22 22 PHE HA H 1 4.13 . . 1 . . . . . . . . 4342 1 248 . 1 1 22 22 PHE CB C 13 38.1 . . 1 . . . . . . . . 4342 1 249 . 1 1 22 22 PHE HB2 H 1 3.27 . . 2 . . . . . . . . 4342 1 250 . 1 1 22 22 PHE HB3 H 1 2.81 . . 2 . . . . . . . . 4342 1 251 . 1 1 22 22 PHE HD1 H 1 7.62 . . 1 . . . . . . . . 4342 1 252 . 1 1 22 22 PHE HD2 H 1 7.62 . . 1 . . . . . . . . 4342 1 253 . 1 1 22 22 PHE HE1 H 1 6.99 . . 1 . . . . . . . . 4342 1 254 . 1 1 22 22 PHE HE2 H 1 6.99 . . 1 . . . . . . . . 4342 1 255 . 1 1 22 22 PHE CD1 C 13 132.2 . . 1 . . . . . . . . 4342 1 256 . 1 1 22 22 PHE CE1 C 13 128.8 . . 1 . . . . . . . . 4342 1 257 . 1 1 22 22 PHE CZ C 13 126.8 . . 1 . . . . . . . . 4342 1 258 . 1 1 22 22 PHE HZ H 1 6.79 . . 1 . . . . . . . . 4342 1 259 . 1 1 22 22 PHE C C 13 177.4 . . 1 . . . . . . . . 4342 1 260 . 1 1 23 23 GLU N N 15 126.9 . . 1 . . . . . . . . 4342 1 261 . 1 1 23 23 GLU H H 1 9.23 . . 1 . . . . . . . . 4342 1 262 . 1 1 23 23 GLU CA C 13 60.2 . . 1 . . . . . . . . 4342 1 263 . 1 1 23 23 GLU HA H 1 4.22 . . 1 . . . . . . . . 4342 1 264 . 1 1 23 23 GLU CB C 13 29.2 . . 1 . . . . . . . . 4342 1 265 . 1 1 23 23 GLU HB2 H 1 2.11 . . 1 . . . . . . . . 4342 1 266 . 1 1 23 23 GLU HB3 H 1 2.11 . . 1 . . . . . . . . 4342 1 267 . 1 1 23 23 GLU CG C 13 36.1 . . 1 . . . . . . . . 4342 1 268 . 1 1 23 23 GLU HG2 H 1 2.52 . . 2 . . . . . . . . 4342 1 269 . 1 1 23 23 GLU HG3 H 1 2.29 . . 2 . . . . . . . . 4342 1 270 . 1 1 24 24 ASP N N 15 122.4 . . 1 . . . . . . . . 4342 1 271 . 1 1 24 24 ASP H H 1 7.74 . . 1 . . . . . . . . 4342 1 272 . 1 1 24 24 ASP CA C 13 56.5 . . 1 . . . . . . . . 4342 1 273 . 1 1 24 24 ASP HA H 1 4.42 . . 1 . . . . . . . . 4342 1 274 . 1 1 24 24 ASP CB C 13 41.4 . . 1 . . . . . . . . 4342 1 275 . 1 1 24 24 ASP HB2 H 1 2.71 . . 2 . . . . . . . . 4342 1 276 . 1 1 24 24 ASP HB3 H 1 2.58 . . 2 . . . . . . . . 4342 1 277 . 1 1 24 24 ASP C C 13 179.4 . . 1 . . . . . . . . 4342 1 278 . 1 1 25 25 LEU N N 15 118.0 . . 1 . . . . . . . . 4342 1 279 . 1 1 25 25 LEU H H 1 7.23 . . 1 . . . . . . . . 4342 1 280 . 1 1 25 25 LEU CA C 13 55.8 . . 1 . . . . . . . . 4342 1 281 . 1 1 25 25 LEU HA H 1 3.81 . . 1 . . . . . . . . 4342 1 282 . 1 1 25 25 LEU CB C 13 41.3 . . 1 . . . . . . . . 4342 1 283 . 1 1 25 25 LEU HB2 H 1 1.59 . . 2 . . . . . . . . 4342 1 284 . 1 1 25 25 LEU HB3 H 1 1.23 . . 2 . . . . . . . . 4342 1 285 . 1 1 25 25 LEU CG C 13 26.4 . . 1 . . . . . . . . 4342 1 286 . 1 1 25 25 LEU HG H 1 1.51 . . 1 . . . . . . . . 4342 1 287 . 1 1 25 25 LEU HD11 H 1 0.70 . . 2 . . . . . . . . 4342 1 288 . 1 1 25 25 LEU HD12 H 1 0.70 . . 2 . . . . . . . . 4342 1 289 . 1 1 25 25 LEU HD13 H 1 0.70 . . 2 . . . . . . . . 4342 1 290 . 1 1 25 25 LEU HD21 H 1 0.59 . . 2 . . . . . . . . 4342 1 291 . 1 1 25 25 LEU HD22 H 1 0.59 . . 2 . . . . . . . . 4342 1 292 . 1 1 25 25 LEU HD23 H 1 0.59 . . 2 . . . . . . . . 4342 1 293 . 1 1 25 25 LEU CD1 C 13 24.6 . . 1 . . . . . . . . 4342 1 294 . 1 1 25 25 LEU CD2 C 13 23.3 . . 1 . . . . . . . . 4342 1 295 . 1 1 25 25 LEU C C 13 177.0 . . 1 . . . . . . . . 4342 1 296 . 1 1 26 26 ALA N N 15 122.4 . . 1 . . . . . . . . 4342 1 297 . 1 1 26 26 ALA H H 1 7.23 . . 1 . . . . . . . . 4342 1 298 . 1 1 26 26 ALA CA C 13 55.4 . . 1 . . . . . . . . 4342 1 299 . 1 1 26 26 ALA HA H 1 3.63 . . 1 . . . . . . . . 4342 1 300 . 1 1 26 26 ALA HB1 H 1 1.63 . . 1 . . . . . . . . 4342 1 301 . 1 1 26 26 ALA HB2 H 1 1.63 . . 1 . . . . . . . . 4342 1 302 . 1 1 26 26 ALA HB3 H 1 1.63 . . 1 . . . . . . . . 4342 1 303 . 1 1 26 26 ALA CB C 13 18.7 . . 1 . . . . . . . . 4342 1 304 . 1 1 26 26 ALA C C 13 178.3 . . 1 . . . . . . . . 4342 1 305 . 1 1 27 27 ASP N N 15 115.5 . . 1 . . . . . . . . 4342 1 306 . 1 1 27 27 ASP H H 1 7.49 . . 1 . . . . . . . . 4342 1 307 . 1 1 27 27 ASP CA C 13 53.4 . . 1 . . . . . . . . 4342 1 308 . 1 1 27 27 ASP HA H 1 4.58 . . 1 . . . . . . . . 4342 1 309 . 1 1 27 27 ASP CB C 13 40.7 . . 1 . . . . . . . . 4342 1 310 . 1 1 27 27 ASP HB2 H 1 2.72 . . 2 . . . . . . . . 4342 1 311 . 1 1 27 27 ASP HB3 H 1 2.63 . . 2 . . . . . . . . 4342 1 312 . 1 1 27 27 ASP C C 13 177.4 . . 1 . . . . . . . . 4342 1 313 . 1 1 28 28 LYS N N 15 121.3 . . 1 . . . . . . . . 4342 1 314 . 1 1 28 28 LYS H H 1 7.01 . . 1 . . . . . . . . 4342 1 315 . 1 1 28 28 LYS CA C 13 52.3 . . 1 . . . . . . . . 4342 1 316 . 1 1 28 28 LYS HA H 1 4.25 . . 1 . . . . . . . . 4342 1 317 . 1 1 28 28 LYS CB C 13 30.9 . . 1 . . . . . . . . 4342 1 318 . 1 1 28 28 LYS HB2 H 1 1.18 . . 2 . . . . . . . . 4342 1 319 . 1 1 28 28 LYS HB3 H 1 0.53 . . 2 . . . . . . . . 4342 1 320 . 1 1 28 28 LYS CG C 13 24.8 . . 1 . . . . . . . . 4342 1 321 . 1 1 28 28 LYS HG2 H 1 1.37 . . 1 . . . . . . . . 4342 1 322 . 1 1 28 28 LYS HG3 H 1 1.37 . . 1 . . . . . . . . 4342 1 323 . 1 1 28 28 LYS CD C 13 25.3 . . 1 . . . . . . . . 4342 1 324 . 1 1 28 28 LYS HD2 H 1 1.39 . . 1 . . . . . . . . 4342 1 325 . 1 1 28 28 LYS HD3 H 1 1.39 . . 1 . . . . . . . . 4342 1 326 . 1 1 28 28 LYS HE2 H 1 2.98 . . 2 . . . . . . . . 4342 1 327 . 1 1 28 28 LYS HE3 H 1 2.73 . . 2 . . . . . . . . 4342 1 328 . 1 1 28 28 LYS C C 13 176.5 . . 1 . . . . . . . . 4342 1 329 . 1 1 29 29 PRO CD C 13 50.6 . . 1 . . . . . . . . 4342 1 330 . 1 1 29 29 PRO CA C 13 64.4 . . 1 . . . . . . . . 4342 1 331 . 1 1 29 29 PRO HA H 1 4.37 . . 1 . . . . . . . . 4342 1 332 . 1 1 29 29 PRO CB C 13 31.6 . . 1 . . . . . . . . 4342 1 333 . 1 1 29 29 PRO HB2 H 1 2.32 . . 2 . . . . . . . . 4342 1 334 . 1 1 29 29 PRO HB3 H 1 1.99 . . 2 . . . . . . . . 4342 1 335 . 1 1 29 29 PRO CG C 13 27.3 . . 1 . . . . . . . . 4342 1 336 . 1 1 29 29 PRO HG2 H 1 1.65 . . 2 . . . . . . . . 4342 1 337 . 1 1 29 29 PRO HG3 H 1 1.46 . . 2 . . . . . . . . 4342 1 338 . 1 1 29 29 PRO HD2 H 1 3.71 . . 2 . . . . . . . . 4342 1 339 . 1 1 29 29 PRO HD3 H 1 3.40 . . 2 . . . . . . . . 4342 1 340 . 1 1 30 30 TYR N N 15 111.9 . . 1 . . . . . . . . 4342 1 341 . 1 1 30 30 TYR H H 1 5.88 . . 1 . . . . . . . . 4342 1 342 . 1 1 30 30 TYR CA C 13 54.8 . . 1 . . . . . . . . 4342 1 343 . 1 1 30 30 TYR HA H 1 4.57 . . 1 . . . . . . . . 4342 1 344 . 1 1 30 30 TYR CB C 13 37.3 . . 1 . . . . . . . . 4342 1 345 . 1 1 30 30 TYR HB2 H 1 3.45 . . 2 . . . . . . . . 4342 1 346 . 1 1 30 30 TYR HB3 H 1 2.81 . . 2 . . . . . . . . 4342 1 347 . 1 1 30 30 TYR HD1 H 1 6.90 . . 1 . . . . . . . . 4342 1 348 . 1 1 30 30 TYR HD2 H 1 6.90 . . 1 . . . . . . . . 4342 1 349 . 1 1 30 30 TYR HE1 H 1 6.70 . . 1 . . . . . . . . 4342 1 350 . 1 1 30 30 TYR HE2 H 1 6.70 . . 1 . . . . . . . . 4342 1 351 . 1 1 30 30 TYR CD1 C 13 132.6 . . 1 . . . . . . . . 4342 1 352 . 1 1 30 30 TYR CE1 C 13 117.7 . . 1 . . . . . . . . 4342 1 353 . 1 1 30 30 TYR C C 13 176.0 . . 1 . . . . . . . . 4342 1 354 . 1 1 31 31 THR N N 15 114.0 . . 1 . . . . . . . . 4342 1 355 . 1 1 31 31 THR H H 1 6.89 . . 1 . . . . . . . . 4342 1 356 . 1 1 31 31 THR CA C 13 59.6 . . 1 . . . . . . . . 4342 1 357 . 1 1 31 31 THR HA H 1 4.46 . . 1 . . . . . . . . 4342 1 358 . 1 1 31 31 THR CB C 13 70.7 . . 1 . . . . . . . . 4342 1 359 . 1 1 31 31 THR HB H 1 3.77 . . 1 . . . . . . . . 4342 1 360 . 1 1 31 31 THR HG21 H 1 0.54 . . 1 . . . . . . . . 4342 1 361 . 1 1 31 31 THR HG22 H 1 0.54 . . 1 . . . . . . . . 4342 1 362 . 1 1 31 31 THR HG23 H 1 0.54 . . 1 . . . . . . . . 4342 1 363 . 1 1 31 31 THR CG2 C 13 23.2 . . 1 . . . . . . . . 4342 1 364 . 1 1 31 31 THR C C 13 175.3 . . 1 . . . . . . . . 4342 1 365 . 1 1 32 32 PHE N N 15 125.5 . . 1 . . . . . . . . 4342 1 366 . 1 1 32 32 PHE H H 1 8.99 . . 1 . . . . . . . . 4342 1 367 . 1 1 32 32 PHE CA C 13 56.8 . . 1 . . . . . . . . 4342 1 368 . 1 1 32 32 PHE HA H 1 4.78 . . 1 . . . . . . . . 4342 1 369 . 1 1 32 32 PHE CB C 13 40.6 . . 1 . . . . . . . . 4342 1 370 . 1 1 32 32 PHE HB2 H 1 3.69 . . 2 . . . . . . . . 4342 1 371 . 1 1 32 32 PHE HB3 H 1 3.26 . . 2 . . . . . . . . 4342 1 372 . 1 1 32 32 PHE HD1 H 1 7.41 . . 1 . . . . . . . . 4342 1 373 . 1 1 32 32 PHE HD2 H 1 7.41 . . 1 . . . . . . . . 4342 1 374 . 1 1 32 32 PHE HE1 H 1 7.41 . . 1 . . . . . . . . 4342 1 375 . 1 1 32 32 PHE HE2 H 1 7.41 . . 1 . . . . . . . . 4342 1 376 . 1 1 32 32 PHE CD1 C 13 130.2 . . 1 . . . . . . . . 4342 1 377 . 1 1 32 32 PHE CE1 C 13 130.2 . . 1 . . . . . . . . 4342 1 378 . 1 1 32 32 PHE CZ C 13 130.2 . . 1 . . . . . . . . 4342 1 379 . 1 1 32 32 PHE HZ H 1 7.41 . . 1 . . . . . . . . 4342 1 380 . 1 1 32 32 PHE C C 13 175.4 . . 1 . . . . . . . . 4342 1 381 . 1 1 33 33 GLU N N 15 122.7 . . 1 . . . . . . . . 4342 1 382 . 1 1 33 33 GLU H H 1 9.28 . . 1 . . . . . . . . 4342 1 383 . 1 1 33 33 GLU CA C 13 59.4 . . 1 . . . . . . . . 4342 1 384 . 1 1 33 33 GLU HA H 1 4.22 . . 1 . . . . . . . . 4342 1 385 . 1 1 33 33 GLU CB C 13 29.7 . . 1 . . . . . . . . 4342 1 386 . 1 1 33 33 GLU HB2 H 1 2.15 . . 1 . . . . . . . . 4342 1 387 . 1 1 33 33 GLU HB3 H 1 2.15 . . 1 . . . . . . . . 4342 1 388 . 1 1 33 33 GLU CG C 13 36.2 . . 1 . . . . . . . . 4342 1 389 . 1 1 33 33 GLU HG2 H 1 2.40 . . 1 . . . . . . . . 4342 1 390 . 1 1 33 33 GLU HG3 H 1 2.40 . . 1 . . . . . . . . 4342 1 391 . 1 1 34 34 ASP N N 15 116.3 . . 1 . . . . . . . . 4342 1 392 . 1 1 34 34 ASP H H 1 9.21 . . 1 . . . . . . . . 4342 1 393 . 1 1 34 34 ASP CA C 13 52.7 . . 1 . . . . . . . . 4342 1 394 . 1 1 34 34 ASP HA H 1 4.64 . . 1 . . . . . . . . 4342 1 395 . 1 1 34 34 ASP CB C 13 38.1 . . 1 . . . . . . . . 4342 1 396 . 1 1 34 34 ASP HB2 H 1 2.92 . . 2 . . . . . . . . 4342 1 397 . 1 1 34 34 ASP HB3 H 1 2.61 . . 2 . . . . . . . . 4342 1 398 . 1 1 34 34 ASP C C 13 176.3 . . 1 . . . . . . . . 4342 1 399 . 1 1 35 35 TYR N N 15 124.7 . . 1 . . . . . . . . 4342 1 400 . 1 1 35 35 TYR H H 1 7.27 . . 1 . . . . . . . . 4342 1 401 . 1 1 35 35 TYR CA C 13 58.6 . . 1 . . . . . . . . 4342 1 402 . 1 1 35 35 TYR HA H 1 4.60 . . 1 . . . . . . . . 4342 1 403 . 1 1 35 35 TYR CB C 13 40.2 . . 1 . . . . . . . . 4342 1 404 . 1 1 35 35 TYR HB2 H 1 3.19 . . 2 . . . . . . . . 4342 1 405 . 1 1 35 35 TYR HB3 H 1 2.92 . . 2 . . . . . . . . 4342 1 406 . 1 1 35 35 TYR HD1 H 1 7.20 . . 1 . . . . . . . . 4342 1 407 . 1 1 35 35 TYR HD2 H 1 7.20 . . 1 . . . . . . . . 4342 1 408 . 1 1 35 35 TYR HE1 H 1 6.53 . . 1 . . . . . . . . 4342 1 409 . 1 1 35 35 TYR HE2 H 1 6.53 . . 1 . . . . . . . . 4342 1 410 . 1 1 35 35 TYR CD1 C 13 132.5 . . 1 . . . . . . . . 4342 1 411 . 1 1 35 35 TYR CE1 C 13 115.8 . . 1 . . . . . . . . 4342 1 412 . 1 1 35 35 TYR HH H 1 9.03 . . 1 . . . . . . . . 4342 1 413 . 1 1 35 35 TYR C C 13 174.5 . . 1 . . . . . . . . 4342 1 414 . 1 1 36 36 ASP N N 15 131.0 . . 1 . . . . . . . . 4342 1 415 . 1 1 36 36 ASP H H 1 8.82 . . 1 . . . . . . . . 4342 1 416 . 1 1 36 36 ASP CA C 13 54.6 . . 1 . . . . . . . . 4342 1 417 . 1 1 36 36 ASP HA H 1 4.78 . . 1 . . . . . . . . 4342 1 418 . 1 1 36 36 ASP CB C 13 46.2 . . 1 . . . . . . . . 4342 1 419 . 1 1 36 36 ASP HB2 H 1 2.53 . . 2 . . . . . . . . 4342 1 420 . 1 1 36 36 ASP HB3 H 1 2.39 . . 2 . . . . . . . . 4342 1 421 . 1 1 36 36 ASP C C 13 176.0 . . 1 . . . . . . . . 4342 1 422 . 1 1 37 37 VAL N N 15 126.6 . . 1 . . . . . . . . 4342 1 423 . 1 1 37 37 VAL H H 1 8.19 . . 1 . . . . . . . . 4342 1 424 . 1 1 37 37 VAL CA C 13 60.6 . . 1 . . . . . . . . 4342 1 425 . 1 1 37 37 VAL HA H 1 4.66 . . 1 . . . . . . . . 4342 1 426 . 1 1 37 37 VAL CB C 13 34.4 . . 1 . . . . . . . . 4342 1 427 . 1 1 37 37 VAL HB H 1 1.91 . . 1 . . . . . . . . 4342 1 428 . 1 1 37 37 VAL HG11 H 1 0.85 . . 2 . . . . . . . . 4342 1 429 . 1 1 37 37 VAL HG12 H 1 0.85 . . 2 . . . . . . . . 4342 1 430 . 1 1 37 37 VAL HG13 H 1 0.85 . . 2 . . . . . . . . 4342 1 431 . 1 1 37 37 VAL HG21 H 1 0.79 . . 2 . . . . . . . . 4342 1 432 . 1 1 37 37 VAL HG22 H 1 0.79 . . 2 . . . . . . . . 4342 1 433 . 1 1 37 37 VAL HG23 H 1 0.79 . . 2 . . . . . . . . 4342 1 434 . 1 1 37 37 VAL CG1 C 13 21.5 . . 1 . . . . . . . . 4342 1 435 . 1 1 37 37 VAL CG2 C 13 22.8 . . 1 . . . . . . . . 4342 1 436 . 1 1 37 37 VAL C C 13 172.8 . . 1 . . . . . . . . 4342 1 437 . 1 1 38 38 SER N N 15 123.8 . . 1 . . . . . . . . 4342 1 438 . 1 1 38 38 SER H H 1 8.88 . . 1 . . . . . . . . 4342 1 439 . 1 1 38 38 SER CA C 13 56.9 . . 1 . . . . . . . . 4342 1 440 . 1 1 38 38 SER HA H 1 4.85 . . 1 . . . . . . . . 4342 1 441 . 1 1 38 38 SER CB C 13 65.4 . . 1 . . . . . . . . 4342 1 442 . 1 1 38 38 SER HB2 H 1 3.79 . . 1 . . . . . . . . 4342 1 443 . 1 1 38 38 SER HB3 H 1 3.79 . . 1 . . . . . . . . 4342 1 444 . 1 1 39 39 PHE N N 15 128.8 . . 1 . . . . . . . . 4342 1 445 . 1 1 39 39 PHE H H 1 9.02 . . 1 . . . . . . . . 4342 1 446 . 1 1 39 39 PHE CA C 13 54.5 . . 1 . . . . . . . . 4342 1 447 . 1 1 39 39 PHE HA H 1 5.94 . . 1 . . . . . . . . 4342 1 448 . 1 1 39 39 PHE CB C 13 41.6 . . 1 . . . . . . . . 4342 1 449 . 1 1 39 39 PHE HB2 H 1 3.06 . . 2 . . . . . . . . 4342 1 450 . 1 1 39 39 PHE HB3 H 1 2.94 . . 2 . . . . . . . . 4342 1 451 . 1 1 39 39 PHE HD1 H 1 7.24 . . 1 . . . . . . . . 4342 1 452 . 1 1 39 39 PHE HD2 H 1 7.24 . . 1 . . . . . . . . 4342 1 453 . 1 1 39 39 PHE HE1 H 1 7.32 . . 1 . . . . . . . . 4342 1 454 . 1 1 39 39 PHE HE2 H 1 7.32 . . 1 . . . . . . . . 4342 1 455 . 1 1 39 39 PHE CD1 C 13 130.1 . . 1 . . . . . . . . 4342 1 456 . 1 1 39 39 PHE CE1 C 13 129.2 . . 1 . . . . . . . . 4342 1 457 . 1 1 39 39 PHE HZ H 1 7.42 . . 1 . . . . . . . . 4342 1 458 . 1 1 39 39 PHE C C 13 172.7 . . 1 . . . . . . . . 4342 1 459 . 1 1 40 40 GLY N N 15 117.2 . . 1 . . . . . . . . 4342 1 460 . 1 1 40 40 GLY H H 1 8.14 . . 1 . . . . . . . . 4342 1 461 . 1 1 40 40 GLY CA C 13 45.7 . . 1 . . . . . . . . 4342 1 462 . 1 1 40 40 GLY HA2 H 1 3.89 . . 2 . . . . . . . . 4342 1 463 . 1 1 40 40 GLY HA3 H 1 3.76 . . 2 . . . . . . . . 4342 1 464 . 1 1 41 41 SER N N 15 120.3 . . 1 . . . . . . . . 4342 1 465 . 1 1 41 41 SER H H 1 8.72 . . 1 . . . . . . . . 4342 1 466 . 1 1 41 41 SER CA C 13 58.6 . . 1 . . . . . . . . 4342 1 467 . 1 1 41 41 SER HA H 1 3.98 . . 1 . . . . . . . . 4342 1 468 . 1 1 41 41 SER CB C 13 62.0 . . 1 . . . . . . . . 4342 1 469 . 1 1 41 41 SER HB2 H 1 3.86 . . 1 . . . . . . . . 4342 1 470 . 1 1 41 41 SER HB3 H 1 3.86 . . 1 . . . . . . . . 4342 1 471 . 1 1 42 42 GLY N N 15 108.6 . . 1 . . . . . . . . 4342 1 472 . 1 1 42 42 GLY H H 1 8.71 . . 1 . . . . . . . . 4342 1 473 . 1 1 42 42 GLY CA C 13 46.0 . . 1 . . . . . . . . 4342 1 474 . 1 1 42 42 GLY HA2 H 1 4.09 . . 2 . . . . . . . . 4342 1 475 . 1 1 42 42 GLY HA3 H 1 3.52 . . 2 . . . . . . . . 4342 1 476 . 1 1 42 42 GLY C C 13 174.5 . . 1 . . . . . . . . 4342 1 477 . 1 1 43 43 VAL N N 15 121.3 . . 1 . . . . . . . . 4342 1 478 . 1 1 43 43 VAL H H 1 7.69 . . 1 . . . . . . . . 4342 1 479 . 1 1 43 43 VAL CA C 13 62.1 . . 1 . . . . . . . . 4342 1 480 . 1 1 43 43 VAL HA H 1 4.50 . . 1 . . . . . . . . 4342 1 481 . 1 1 43 43 VAL CB C 13 34.4 . . 1 . . . . . . . . 4342 1 482 . 1 1 43 43 VAL HB H 1 2.10 . . 1 . . . . . . . . 4342 1 483 . 1 1 43 43 VAL HG11 H 1 0.87 . . 2 . . . . . . . . 4342 1 484 . 1 1 43 43 VAL HG12 H 1 0.87 . . 2 . . . . . . . . 4342 1 485 . 1 1 43 43 VAL HG13 H 1 0.87 . . 2 . . . . . . . . 4342 1 486 . 1 1 43 43 VAL HG21 H 1 0.82 . . 2 . . . . . . . . 4342 1 487 . 1 1 43 43 VAL HG22 H 1 0.82 . . 2 . . . . . . . . 4342 1 488 . 1 1 43 43 VAL HG23 H 1 0.82 . . 2 . . . . . . . . 4342 1 489 . 1 1 43 43 VAL CG1 C 13 21.5 . . 1 . . . . . . . . 4342 1 490 . 1 1 43 43 VAL CG2 C 13 21.5 . . 1 . . . . . . . . 4342 1 491 . 1 1 43 43 VAL C C 13 172.3 . . 1 . . . . . . . . 4342 1 492 . 1 1 44 44 LEU N N 15 135.5 . . 1 . . . . . . . . 4342 1 493 . 1 1 44 44 LEU H H 1 9.61 . . 1 . . . . . . . . 4342 1 494 . 1 1 44 44 LEU CA C 13 53.7 . . 1 . . . . . . . . 4342 1 495 . 1 1 44 44 LEU HA H 1 5.34 . . 1 . . . . . . . . 4342 1 496 . 1 1 44 44 LEU CB C 13 44.7 . . 1 . . . . . . . . 4342 1 497 . 1 1 44 44 LEU HB2 H 1 2.10 . . 2 . . . . . . . . 4342 1 498 . 1 1 44 44 LEU HB3 H 1 1.23 . . 2 . . . . . . . . 4342 1 499 . 1 1 44 44 LEU CG C 13 27.2 . . 1 . . . . . . . . 4342 1 500 . 1 1 44 44 LEU HG H 1 1.18 . . 1 . . . . . . . . 4342 1 501 . 1 1 44 44 LEU HD11 H 1 0.70 . . 1 . . . . . . . . 4342 1 502 . 1 1 44 44 LEU HD12 H 1 0.70 . . 1 . . . . . . . . 4342 1 503 . 1 1 44 44 LEU HD13 H 1 0.70 . . 1 . . . . . . . . 4342 1 504 . 1 1 44 44 LEU HD21 H 1 0.70 . . 1 . . . . . . . . 4342 1 505 . 1 1 44 44 LEU HD22 H 1 0.70 . . 1 . . . . . . . . 4342 1 506 . 1 1 44 44 LEU HD23 H 1 0.70 . . 1 . . . . . . . . 4342 1 507 . 1 1 44 44 LEU CD1 C 13 21.8 . . 1 . . . . . . . . 4342 1 508 . 1 1 44 44 LEU CD2 C 13 21.8 . . 1 . . . . . . . . 4342 1 509 . 1 1 45 45 THR N N 15 126.9 . . 1 . . . . . . . . 4342 1 510 . 1 1 45 45 THR H H 1 9.24 . . 1 . . . . . . . . 4342 1 511 . 1 1 45 45 THR CA C 13 61.9 . . 1 . . . . . . . . 4342 1 512 . 1 1 45 45 THR HA H 1 5.05 . . 1 . . . . . . . . 4342 1 513 . 1 1 45 45 THR CB C 13 69.8 . . 1 . . . . . . . . 4342 1 514 . 1 1 45 45 THR HB H 1 4.00 . . 1 . . . . . . . . 4342 1 515 . 1 1 45 45 THR HG21 H 1 1.02 . . 1 . . . . . . . . 4342 1 516 . 1 1 45 45 THR HG22 H 1 1.02 . . 1 . . . . . . . . 4342 1 517 . 1 1 45 45 THR HG23 H 1 1.02 . . 1 . . . . . . . . 4342 1 518 . 1 1 45 45 THR CG2 C 13 21.5 . . 1 . . . . . . . . 4342 1 519 . 1 1 46 46 VAL N N 15 130.2 . . 1 . . . . . . . . 4342 1 520 . 1 1 46 46 VAL H H 1 9.17 . . 1 . . . . . . . . 4342 1 521 . 1 1 46 46 VAL CA C 13 60.9 . . 1 . . . . . . . . 4342 1 522 . 1 1 46 46 VAL HA H 1 4.28 . . 1 . . . . . . . . 4342 1 523 . 1 1 46 46 VAL CB C 13 33.9 . . 1 . . . . . . . . 4342 1 524 . 1 1 46 46 VAL HB H 1 1.59 . . 1 . . . . . . . . 4342 1 525 . 1 1 46 46 VAL HG11 H 1 0.43 . . 2 . . . . . . . . 4342 1 526 . 1 1 46 46 VAL HG12 H 1 0.43 . . 2 . . . . . . . . 4342 1 527 . 1 1 46 46 VAL HG13 H 1 0.43 . . 2 . . . . . . . . 4342 1 528 . 1 1 46 46 VAL HG21 H 1 -0.19 . . 2 . . . . . . . . 4342 1 529 . 1 1 46 46 VAL HG22 H 1 -0.19 . . 2 . . . . . . . . 4342 1 530 . 1 1 46 46 VAL HG23 H 1 -0.19 . . 2 . . . . . . . . 4342 1 531 . 1 1 46 46 VAL CG1 C 13 20.6 . . 1 . . . . . . . . 4342 1 532 . 1 1 46 46 VAL CG2 C 13 18.3 . . 1 . . . . . . . . 4342 1 533 . 1 1 46 46 VAL C C 13 173.6 . . 1 . . . . . . . . 4342 1 534 . 1 1 47 47 LYS N N 15 132.7 . . 1 . . . . . . . . 4342 1 535 . 1 1 47 47 LYS H H 1 8.90 . . 1 . . . . . . . . 4342 1 536 . 1 1 47 47 LYS CA C 13 55.2 . . 1 . . . . . . . . 4342 1 537 . 1 1 47 47 LYS HA H 1 4.57 . . 1 . . . . . . . . 4342 1 538 . 1 1 47 47 LYS CB C 13 33.3 . . 1 . . . . . . . . 4342 1 539 . 1 1 47 47 LYS HB2 H 1 1.80 . . 1 . . . . . . . . 4342 1 540 . 1 1 47 47 LYS HB3 H 1 1.80 . . 1 . . . . . . . . 4342 1 541 . 1 1 47 47 LYS CG C 13 25.4 . . 1 . . . . . . . . 4342 1 542 . 1 1 47 47 LYS HG2 H 1 1.35 . . 2 . . . . . . . . 4342 1 543 . 1 1 47 47 LYS HG3 H 1 1.21 . . 2 . . . . . . . . 4342 1 544 . 1 1 47 47 LYS CD C 13 30.2 . . 1 . . . . . . . . 4342 1 545 . 1 1 47 47 LYS HD2 H 1 1.66 . . 1 . . . . . . . . 4342 1 546 . 1 1 47 47 LYS HD3 H 1 1.66 . . 1 . . . . . . . . 4342 1 547 . 1 1 47 47 LYS CE C 13 42.6 . . 1 . . . . . . . . 4342 1 548 . 1 1 47 47 LYS HE2 H 1 3.05 . . 1 . . . . . . . . 4342 1 549 . 1 1 47 47 LYS HE3 H 1 3.05 . . 1 . . . . . . . . 4342 1 550 . 1 1 47 47 LYS C C 13 174.0 . . 1 . . . . . . . . 4342 1 551 . 1 1 48 48 LEU N N 15 126.0 . . 1 . . . . . . . . 4342 1 552 . 1 1 48 48 LEU H H 1 8.49 . . 1 . . . . . . . . 4342 1 553 . 1 1 48 48 LEU CA C 13 57.1 . . 1 . . . . . . . . 4342 1 554 . 1 1 48 48 LEU HA H 1 4.43 . . 1 . . . . . . . . 4342 1 555 . 1 1 48 48 LEU CB C 13 43.9 . . 1 . . . . . . . . 4342 1 556 . 1 1 48 48 LEU HB2 H 1 2.27 . . 2 . . . . . . . . 4342 1 557 . 1 1 48 48 LEU HB3 H 1 1.51 . . 2 . . . . . . . . 4342 1 558 . 1 1 48 48 LEU CG C 13 27.4 . . 1 . . . . . . . . 4342 1 559 . 1 1 48 48 LEU HG H 1 1.91 . . 1 . . . . . . . . 4342 1 560 . 1 1 48 48 LEU HD11 H 1 1.04 . . 2 . . . . . . . . 4342 1 561 . 1 1 48 48 LEU HD12 H 1 1.04 . . 2 . . . . . . . . 4342 1 562 . 1 1 48 48 LEU HD13 H 1 1.04 . . 2 . . . . . . . . 4342 1 563 . 1 1 48 48 LEU HD21 H 1 0.92 . . 2 . . . . . . . . 4342 1 564 . 1 1 48 48 LEU HD22 H 1 0.92 . . 2 . . . . . . . . 4342 1 565 . 1 1 48 48 LEU HD23 H 1 0.92 . . 2 . . . . . . . . 4342 1 566 . 1 1 48 48 LEU CD1 C 13 23.1 . . 1 . . . . . . . . 4342 1 567 . 1 1 48 48 LEU CD2 C 13 26.5 . . 1 . . . . . . . . 4342 1 568 . 1 1 48 48 LEU C C 13 174.8 . . 1 . . . . . . . . 4342 1 569 . 1 1 49 49 GLY N N 15 105.2 . . 1 . . . . . . . . 4342 1 570 . 1 1 49 49 GLY H H 1 7.57 . . 1 . . . . . . . . 4342 1 571 . 1 1 49 49 GLY CA C 13 42.7 . . 1 . . . . . . . . 4342 1 572 . 1 1 49 49 GLY HA2 H 1 4.42 . . 2 . . . . . . . . 4342 1 573 . 1 1 49 49 GLY HA3 H 1 3.37 . . 2 . . . . . . . . 4342 1 574 . 1 1 49 49 GLY C C 13 177.2 . . 1 . . . . . . . . 4342 1 575 . 1 1 50 50 GLY N N 15 109.4 . . 1 . . . . . . . . 4342 1 576 . 1 1 50 50 GLY H H 1 9.16 . . 1 . . . . . . . . 4342 1 577 . 1 1 50 50 GLY CA C 13 47.2 . . 1 . . . . . . . . 4342 1 578 . 1 1 50 50 GLY HA2 H 1 3.54 . . 2 . . . . . . . . 4342 1 579 . 1 1 50 50 GLY HA3 H 1 3.18 . . 2 . . . . . . . . 4342 1 580 . 1 1 50 50 GLY C C 13 173.4 . . 1 . . . . . . . . 4342 1 581 . 1 1 51 51 ASP N N 15 125.9 . . 1 . . . . . . . . 4342 1 582 . 1 1 51 51 ASP H H 1 8.67 . . 1 . . . . . . . . 4342 1 583 . 1 1 51 51 ASP CA C 13 53.8 . . 1 . . . . . . . . 4342 1 584 . 1 1 51 51 ASP HA H 1 4.66 . . 1 . . . . . . . . 4342 1 585 . 1 1 51 51 ASP CB C 13 40.3 . . 1 . . . . . . . . 4342 1 586 . 1 1 51 51 ASP HB2 H 1 2.73 . . 1 . . . . . . . . 4342 1 587 . 1 1 51 51 ASP HB3 H 1 2.73 . . 1 . . . . . . . . 4342 1 588 . 1 1 52 52 LEU N N 15 122.4 . . 1 . . . . . . . . 4342 1 589 . 1 1 52 52 LEU H H 1 8.38 . . 1 . . . . . . . . 4342 1 590 . 1 1 52 52 LEU CA C 13 56.5 . . 1 . . . . . . . . 4342 1 591 . 1 1 52 52 LEU HA H 1 4.19 . . 1 . . . . . . . . 4342 1 592 . 1 1 52 52 LEU CB C 13 44.1 . . 1 . . . . . . . . 4342 1 593 . 1 1 52 52 LEU HB2 H 1 2.31 . . 2 . . . . . . . . 4342 1 594 . 1 1 52 52 LEU HB3 H 1 1.55 . . 2 . . . . . . . . 4342 1 595 . 1 1 52 52 LEU CG C 13 27.7 . . 1 . . . . . . . . 4342 1 596 . 1 1 52 52 LEU HG H 1 1.95 . . 1 . . . . . . . . 4342 1 597 . 1 1 52 52 LEU HD11 H 1 1.06 . . 2 . . . . . . . . 4342 1 598 . 1 1 52 52 LEU HD12 H 1 1.06 . . 2 . . . . . . . . 4342 1 599 . 1 1 52 52 LEU HD13 H 1 1.06 . . 2 . . . . . . . . 4342 1 600 . 1 1 52 52 LEU HD21 H 1 0.96 . . 2 . . . . . . . . 4342 1 601 . 1 1 52 52 LEU HD22 H 1 0.96 . . 2 . . . . . . . . 4342 1 602 . 1 1 52 52 LEU HD23 H 1 0.96 . . 2 . . . . . . . . 4342 1 603 . 1 1 52 52 LEU CD1 C 13 26.9 . . 1 . . . . . . . . 4342 1 604 . 1 1 52 52 LEU CD2 C 13 22.4 . . 1 . . . . . . . . 4342 1 605 . 1 1 53 53 GLY N N 15 107.4 . . 1 . . . . . . . . 4342 1 606 . 1 1 53 53 GLY H H 1 8.05 . . 1 . . . . . . . . 4342 1 607 . 1 1 53 53 GLY CA C 13 44.4 . . 1 . . . . . . . . 4342 1 608 . 1 1 53 53 GLY HA2 H 1 4.08 . . 2 . . . . . . . . 4342 1 609 . 1 1 53 53 GLY HA3 H 1 3.75 . . 2 . . . . . . . . 4342 1 610 . 1 1 53 53 GLY C C 13 177.7 . . 1 . . . . . . . . 4342 1 611 . 1 1 54 54 THR N N 15 116.9 . . 1 . . . . . . . . 4342 1 612 . 1 1 54 54 THR H H 1 7.93 . . 1 . . . . . . . . 4342 1 613 . 1 1 54 54 THR CA C 13 61.2 . . 1 . . . . . . . . 4342 1 614 . 1 1 54 54 THR HA H 1 5.34 . . 1 . . . . . . . . 4342 1 615 . 1 1 54 54 THR CB C 13 72.4 . . 1 . . . . . . . . 4342 1 616 . 1 1 54 54 THR HB H 1 3.69 . . 1 . . . . . . . . 4342 1 617 . 1 1 54 54 THR HG21 H 1 0.90 . . 1 . . . . . . . . 4342 1 618 . 1 1 54 54 THR HG22 H 1 0.90 . . 1 . . . . . . . . 4342 1 619 . 1 1 54 54 THR HG23 H 1 0.90 . . 1 . . . . . . . . 4342 1 620 . 1 1 54 54 THR CG2 C 13 22.8 . . 1 . . . . . . . . 4342 1 621 . 1 1 54 54 THR C C 13 172.3 . . 1 . . . . . . . . 4342 1 622 . 1 1 55 55 TYR N N 15 127.4 . . 1 . . . . . . . . 4342 1 623 . 1 1 55 55 TYR H H 1 9.33 . . 1 . . . . . . . . 4342 1 624 . 1 1 55 55 TYR CA C 13 57.8 . . 1 . . . . . . . . 4342 1 625 . 1 1 55 55 TYR HA H 1 4.99 . . 1 . . . . . . . . 4342 1 626 . 1 1 55 55 TYR CB C 13 41.9 . . 1 . . . . . . . . 4342 1 627 . 1 1 55 55 TYR HB2 H 1 2.76 . . 2 . . . . . . . . 4342 1 628 . 1 1 55 55 TYR HB3 H 1 2.48 . . 2 . . . . . . . . 4342 1 629 . 1 1 55 55 TYR HD1 H 1 6.95 . . 1 . . . . . . . . 4342 1 630 . 1 1 55 55 TYR HD2 H 1 6.95 . . 1 . . . . . . . . 4342 1 631 . 1 1 55 55 TYR HE1 H 1 6.78 . . 1 . . . . . . . . 4342 1 632 . 1 1 55 55 TYR HE2 H 1 6.78 . . 1 . . . . . . . . 4342 1 633 . 1 1 55 55 TYR CD1 C 13 131.2 . . 1 . . . . . . . . 4342 1 634 . 1 1 55 55 TYR CE1 C 13 116.4 . . 1 . . . . . . . . 4342 1 635 . 1 1 55 55 TYR HH H 1 11.08 . . 1 . . . . . . . . 4342 1 636 . 1 1 55 55 TYR C C 13 174.2 . . 1 . . . . . . . . 4342 1 637 . 1 1 56 56 VAL N N 15 121.6 . . 1 . . . . . . . . 4342 1 638 . 1 1 56 56 VAL H H 1 7.92 . . 1 . . . . . . . . 4342 1 639 . 1 1 56 56 VAL CA C 13 62.0 . . 1 . . . . . . . . 4342 1 640 . 1 1 56 56 VAL HA H 1 4.95 . . 1 . . . . . . . . 4342 1 641 . 1 1 56 56 VAL CB C 13 34.7 . . 1 . . . . . . . . 4342 1 642 . 1 1 56 56 VAL HB H 1 1.89 . . 1 . . . . . . . . 4342 1 643 . 1 1 56 56 VAL HG11 H 1 0.88 . . 1 . . . . . . . . 4342 1 644 . 1 1 56 56 VAL HG12 H 1 0.88 . . 1 . . . . . . . . 4342 1 645 . 1 1 56 56 VAL HG13 H 1 0.88 . . 1 . . . . . . . . 4342 1 646 . 1 1 56 56 VAL HG21 H 1 0.88 . . 1 . . . . . . . . 4342 1 647 . 1 1 56 56 VAL HG22 H 1 0.88 . . 1 . . . . . . . . 4342 1 648 . 1 1 56 56 VAL HG23 H 1 0.88 . . 1 . . . . . . . . 4342 1 649 . 1 1 56 56 VAL CG1 C 13 21.8 . . 1 . . . . . . . . 4342 1 650 . 1 1 56 56 VAL CG2 C 13 21.8 . . 1 . . . . . . . . 4342 1 651 . 1 1 56 56 VAL C C 13 175.3 . . 1 . . . . . . . . 4342 1 652 . 1 1 57 57 ILE N N 15 133.3 . . 1 . . . . . . . . 4342 1 653 . 1 1 57 57 ILE H H 1 9.70 . . 1 . . . . . . . . 4342 1 654 . 1 1 57 57 ILE CA C 13 60.4 . . 1 . . . . . . . . 4342 1 655 . 1 1 57 57 ILE HA H 1 5.23 . . 1 . . . . . . . . 4342 1 656 . 1 1 57 57 ILE CB C 13 40.6 . . 1 . . . . . . . . 4342 1 657 . 1 1 57 57 ILE HB H 1 1.75 . . 1 . . . . . . . . 4342 1 658 . 1 1 57 57 ILE HG21 H 1 0.69 . . 1 . . . . . . . . 4342 1 659 . 1 1 57 57 ILE HG22 H 1 0.69 . . 1 . . . . . . . . 4342 1 660 . 1 1 57 57 ILE HG23 H 1 0.69 . . 1 . . . . . . . . 4342 1 661 . 1 1 57 57 ILE CG2 C 13 19.4 . . 1 . . . . . . . . 4342 1 662 . 1 1 57 57 ILE CG1 C 13 28.5 . . 1 . . . . . . . . 4342 1 663 . 1 1 57 57 ILE HG12 H 1 1.59 . . 2 . . . . . . . . 4342 1 664 . 1 1 57 57 ILE HG13 H 1 1.00 . . 2 . . . . . . . . 4342 1 665 . 1 1 57 57 ILE HD11 H 1 0.74 . . 1 . . . . . . . . 4342 1 666 . 1 1 57 57 ILE HD12 H 1 0.74 . . 1 . . . . . . . . 4342 1 667 . 1 1 57 57 ILE HD13 H 1 0.74 . . 1 . . . . . . . . 4342 1 668 . 1 1 57 57 ILE CD1 C 13 14.8 . . 1 . . . . . . . . 4342 1 669 . 1 1 57 57 ILE C C 13 175.5 . . 1 . . . . . . . . 4342 1 670 . 1 1 58 58 ASN N N 15 123.8 . . 1 . . . . . . . . 4342 1 671 . 1 1 58 58 ASN H H 1 9.62 . . 1 . . . . . . . . 4342 1 672 . 1 1 58 58 ASN CA C 13 52.3 . . 1 . . . . . . . . 4342 1 673 . 1 1 58 58 ASN HA H 1 5.82 . . 1 . . . . . . . . 4342 1 674 . 1 1 58 58 ASN CB C 13 43.5 . . 1 . . . . . . . . 4342 1 675 . 1 1 58 58 ASN HB2 H 1 2.90 . . 2 . . . . . . . . 4342 1 676 . 1 1 58 58 ASN HB3 H 1 2.54 . . 2 . . . . . . . . 4342 1 677 . 1 1 58 58 ASN ND2 N 15 114.0 . . 1 . . . . . . . . 4342 1 678 . 1 1 58 58 ASN HD21 H 1 6.78 . . 2 . . . . . . . . 4342 1 679 . 1 1 58 58 ASN HD22 H 1 6.16 . . 2 . . . . . . . . 4342 1 680 . 1 1 59 59 LYS N N 15 123.5 . . 1 . . . . . . . . 4342 1 681 . 1 1 59 59 LYS H H 1 8.45 . . 1 . . . . . . . . 4342 1 682 . 1 1 59 59 LYS CA C 13 57.3 . . 1 . . . . . . . . 4342 1 683 . 1 1 59 59 LYS HA H 1 4.10 . . 1 . . . . . . . . 4342 1 684 . 1 1 59 59 LYS CB C 13 33.6 . . 1 . . . . . . . . 4342 1 685 . 1 1 59 59 LYS HB2 H 1 1.92 . . 1 . . . . . . . . 4342 1 686 . 1 1 59 59 LYS HB3 H 1 1.92 . . 1 . . . . . . . . 4342 1 687 . 1 1 59 59 LYS CG C 13 24.6 . . 1 . . . . . . . . 4342 1 688 . 1 1 59 59 LYS HG2 H 1 1.46 . . 1 . . . . . . . . 4342 1 689 . 1 1 59 59 LYS HG3 H 1 1.46 . . 1 . . . . . . . . 4342 1 690 . 1 1 59 59 LYS CD C 13 30.2 . . 1 . . . . . . . . 4342 1 691 . 1 1 59 59 LYS HD2 H 1 1.76 . . 1 . . . . . . . . 4342 1 692 . 1 1 59 59 LYS HD3 H 1 1.76 . . 1 . . . . . . . . 4342 1 693 . 1 1 59 59 LYS CE C 13 41.5 . . 1 . . . . . . . . 4342 1 694 . 1 1 59 59 LYS HE2 H 1 2.92 . . 1 . . . . . . . . 4342 1 695 . 1 1 59 59 LYS HE3 H 1 2.92 . . 1 . . . . . . . . 4342 1 696 . 1 1 60 60 GLN N N 15 131.6 . . 1 . . . . . . . . 4342 1 697 . 1 1 60 60 GLN H H 1 7.81 . . 1 . . . . . . . . 4342 1 698 . 1 1 60 60 GLN CA C 13 54.3 . . 1 . . . . . . . . 4342 1 699 . 1 1 60 60 GLN HA H 1 4.42 . . 1 . . . . . . . . 4342 1 700 . 1 1 60 60 GLN CB C 13 27.4 . . 1 . . . . . . . . 4342 1 701 . 1 1 60 60 GLN HB2 H 1 1.54 . . 2 . . . . . . . . 4342 1 702 . 1 1 60 60 GLN HB3 H 1 0.61 . . 2 . . . . . . . . 4342 1 703 . 1 1 60 60 GLN CG C 13 32.5 . . 1 . . . . . . . . 4342 1 704 . 1 1 60 60 GLN HG2 H 1 1.28 . . 2 . . . . . . . . 4342 1 705 . 1 1 60 60 GLN HG3 H 1 0.93 . . 2 . . . . . . . . 4342 1 706 . 1 1 60 60 GLN NE2 N 15 110.8 . . 1 . . . . . . . . 4342 1 707 . 1 1 60 60 GLN HE21 H 1 7.14 . . 2 . . . . . . . . 4342 1 708 . 1 1 60 60 GLN HE22 H 1 6.84 . . 2 . . . . . . . . 4342 1 709 . 1 1 60 60 GLN C C 13 174.7 . . 1 . . . . . . . . 4342 1 710 . 1 1 61 61 THR N N 15 125.5 . . 1 . . . . . . . . 4342 1 711 . 1 1 61 61 THR H H 1 8.57 . . 1 . . . . . . . . 4342 1 712 . 1 1 61 61 THR CA C 13 68.5 . . 1 . . . . . . . . 4342 1 713 . 1 1 61 61 THR HA H 1 4.01 . . 1 . . . . . . . . 4342 1 714 . 1 1 61 61 THR CB C 13 66.7 . . 1 . . . . . . . . 4342 1 715 . 1 1 61 61 THR HB H 1 4.24 . . 1 . . . . . . . . 4342 1 716 . 1 1 61 61 THR HG21 H 1 1.27 . . 1 . . . . . . . . 4342 1 717 . 1 1 61 61 THR HG22 H 1 1.27 . . 1 . . . . . . . . 4342 1 718 . 1 1 61 61 THR HG23 H 1 1.27 . . 1 . . . . . . . . 4342 1 719 . 1 1 61 61 THR CG2 C 13 19.4 . . 1 . . . . . . . . 4342 1 720 . 1 1 62 62 PRO CD C 13 50.6 . . 1 . . . . . . . . 4342 1 721 . 1 1 62 62 PRO CA C 13 66.2 . . 1 . . . . . . . . 4342 1 722 . 1 1 62 62 PRO HA H 1 4.23 . . 1 . . . . . . . . 4342 1 723 . 1 1 62 62 PRO CB C 13 30.9 . . 1 . . . . . . . . 4342 1 724 . 1 1 62 62 PRO HB2 H 1 2.30 . . 2 . . . . . . . . 4342 1 725 . 1 1 62 62 PRO HB3 H 1 1.96 . . 2 . . . . . . . . 4342 1 726 . 1 1 62 62 PRO CG C 13 27.7 . . 1 . . . . . . . . 4342 1 727 . 1 1 62 62 PRO HG2 H 1 1.89 . . 2 . . . . . . . . 4342 1 728 . 1 1 62 62 PRO HG3 H 1 1.68 . . 2 . . . . . . . . 4342 1 729 . 1 1 62 62 PRO HD2 H 1 3.67 . . 2 . . . . . . . . 4342 1 730 . 1 1 62 62 PRO HD3 H 1 3.38 . . 2 . . . . . . . . 4342 1 731 . 1 1 63 63 ASN N N 15 113.0 . . 1 . . . . . . . . 4342 1 732 . 1 1 63 63 ASN H H 1 7.02 . . 1 . . . . . . . . 4342 1 733 . 1 1 63 63 ASN CA C 13 53.2 . . 1 . . . . . . . . 4342 1 734 . 1 1 63 63 ASN HA H 1 4.75 . . 1 . . . . . . . . 4342 1 735 . 1 1 63 63 ASN CB C 13 40.3 . . 1 . . . . . . . . 4342 1 736 . 1 1 63 63 ASN HB2 H 1 3.06 . . 2 . . . . . . . . 4342 1 737 . 1 1 63 63 ASN HB3 H 1 2.29 . . 2 . . . . . . . . 4342 1 738 . 1 1 63 63 ASN ND2 N 15 113.6 . . 1 . . . . . . . . 4342 1 739 . 1 1 63 63 ASN HD21 H 1 7.67 . . 2 . . . . . . . . 4342 1 740 . 1 1 63 63 ASN HD22 H 1 7.07 . . 2 . . . . . . . . 4342 1 741 . 1 1 63 63 ASN C C 13 176.8 . . 1 . . . . . . . . 4342 1 742 . 1 1 64 64 LYS N N 15 119.7 . . 1 . . . . . . . . 4342 1 743 . 1 1 64 64 LYS H H 1 7.92 . . 1 . . . . . . . . 4342 1 744 . 1 1 64 64 LYS CA C 13 57.4 . . 1 . . . . . . . . 4342 1 745 . 1 1 64 64 LYS HA H 1 2.12 . . 1 . . . . . . . . 4342 1 746 . 1 1 64 64 LYS CB C 13 28.9 . . 1 . . . . . . . . 4342 1 747 . 1 1 64 64 LYS HB2 H 1 1.67 . . 1 . . . . . . . . 4342 1 748 . 1 1 64 64 LYS HB3 H 1 1.67 . . 1 . . . . . . . . 4342 1 749 . 1 1 64 64 LYS CG C 13 24.9 . . 1 . . . . . . . . 4342 1 750 . 1 1 64 64 LYS HG2 H 1 0.86 . . 1 . . . . . . . . 4342 1 751 . 1 1 64 64 LYS HG3 H 1 0.86 . . 1 . . . . . . . . 4342 1 752 . 1 1 64 64 LYS CD C 13 27.4 . . 1 . . . . . . . . 4342 1 753 . 1 1 64 64 LYS HD2 H 1 1.25 . . 1 . . . . . . . . 4342 1 754 . 1 1 64 64 LYS HD3 H 1 1.25 . . 1 . . . . . . . . 4342 1 755 . 1 1 64 64 LYS CE C 13 42.1 . . 1 . . . . . . . . 4342 1 756 . 1 1 64 64 LYS HE2 H 1 2.98 . . 2 . . . . . . . . 4342 1 757 . 1 1 64 64 LYS HE3 H 1 2.76 . . 2 . . . . . . . . 4342 1 758 . 1 1 65 65 GLN N N 15 113.8 . . 1 . . . . . . . . 4342 1 759 . 1 1 65 65 GLN H H 1 7.13 . . 1 . . . . . . . . 4342 1 760 . 1 1 65 65 GLN CA C 13 54.1 . . 1 . . . . . . . . 4342 1 761 . 1 1 65 65 GLN HA H 1 5.78 . . 1 . . . . . . . . 4342 1 762 . 1 1 65 65 GLN CB C 13 37.1 . . 1 . . . . . . . . 4342 1 763 . 1 1 65 65 GLN HB2 H 1 2.34 . . 2 . . . . . . . . 4342 1 764 . 1 1 65 65 GLN HB3 H 1 1.99 . . 2 . . . . . . . . 4342 1 765 . 1 1 65 65 GLN CG C 13 34.2 . . 1 . . . . . . . . 4342 1 766 . 1 1 65 65 GLN HG2 H 1 2.81 . . 1 . . . . . . . . 4342 1 767 . 1 1 65 65 GLN HG3 H 1 2.81 . . 1 . . . . . . . . 4342 1 768 . 1 1 65 65 GLN NE2 N 15 111.6 . . 1 . . . . . . . . 4342 1 769 . 1 1 65 65 GLN HE21 H 1 6.26 . . 1 . . . . . . . . 4342 1 770 . 1 1 65 65 GLN HE22 H 1 6.26 . . 1 . . . . . . . . 4342 1 771 . 1 1 65 65 GLN C C 13 174.4 . . 1 . . . . . . . . 4342 1 772 . 1 1 66 66 ILE N N 15 125.5 . . 1 . . . . . . . . 4342 1 773 . 1 1 66 66 ILE H H 1 8.52 . . 1 . . . . . . . . 4342 1 774 . 1 1 66 66 ILE CA C 13 61.2 . . 1 . . . . . . . . 4342 1 775 . 1 1 66 66 ILE HA H 1 4.66 . . 1 . . . . . . . . 4342 1 776 . 1 1 66 66 ILE CB C 13 39.8 . . 1 . . . . . . . . 4342 1 777 . 1 1 66 66 ILE HB H 1 1.17 . . 1 . . . . . . . . 4342 1 778 . 1 1 66 66 ILE HG21 H 1 0.51 . . 1 . . . . . . . . 4342 1 779 . 1 1 66 66 ILE HG22 H 1 0.51 . . 1 . . . . . . . . 4342 1 780 . 1 1 66 66 ILE HG23 H 1 0.51 . . 1 . . . . . . . . 4342 1 781 . 1 1 66 66 ILE CG2 C 13 17.4 . . 1 . . . . . . . . 4342 1 782 . 1 1 66 66 ILE CG1 C 13 27.7 . . 1 . . . . . . . . 4342 1 783 . 1 1 66 66 ILE HG12 H 1 0.37 . . 2 . . . . . . . . 4342 1 784 . 1 1 66 66 ILE HG13 H 1 0.18 . . 2 . . . . . . . . 4342 1 785 . 1 1 66 66 ILE HD11 H 1 -0.43 . . 1 . . . . . . . . 4342 1 786 . 1 1 66 66 ILE HD12 H 1 -0.43 . . 1 . . . . . . . . 4342 1 787 . 1 1 66 66 ILE HD13 H 1 -0.43 . . 1 . . . . . . . . 4342 1 788 . 1 1 66 66 ILE CD1 C 13 11.3 . . 1 . . . . . . . . 4342 1 789 . 1 1 67 67 TRP N N 15 133.0 . . 1 . . . . . . . . 4342 1 790 . 1 1 67 67 TRP H H 1 9.50 . . 1 . . . . . . . . 4342 1 791 . 1 1 67 67 TRP CA C 13 55.5 . . 1 . . . . . . . . 4342 1 792 . 1 1 67 67 TRP HA H 1 5.67 . . 1 . . . . . . . . 4342 1 793 . 1 1 67 67 TRP CB C 13 31.1 . . 1 . . . . . . . . 4342 1 794 . 1 1 67 67 TRP HB2 H 1 3.38 . . 1 . . . . . . . . 4342 1 795 . 1 1 67 67 TRP HB3 H 1 3.38 . . 1 . . . . . . . . 4342 1 796 . 1 1 67 67 TRP CD2 C 13 120.2 . . 1 . . . . . . . . 4342 1 797 . 1 1 67 67 TRP CE3 C 13 120.3 . . 1 . . . . . . . . 4342 1 798 . 1 1 67 67 TRP NE1 N 15 129.3 . . 1 . . . . . . . . 4342 1 799 . 1 1 67 67 TRP HD1 H 1 6.81 . . 1 . . . . . . . . 4342 1 800 . 1 1 67 67 TRP HE3 H 1 7.56 . . 1 . . . . . . . . 4342 1 801 . 1 1 67 67 TRP CZ3 C 13 121.6 . . 1 . . . . . . . . 4342 1 802 . 1 1 67 67 TRP CZ2 C 13 112.7 . . 1 . . . . . . . . 4342 1 803 . 1 1 67 67 TRP HE1 H 1 10.47 . . 1 . . . . . . . . 4342 1 804 . 1 1 67 67 TRP HZ3 H 1 7.05 . . 1 . . . . . . . . 4342 1 805 . 1 1 67 67 TRP CH2 C 13 124.7 . . 1 . . . . . . . . 4342 1 806 . 1 1 67 67 TRP HZ2 H 1 7.29 . . 1 . . . . . . . . 4342 1 807 . 1 1 67 67 TRP HH2 H 1 7.19 . . 1 . . . . . . . . 4342 1 808 . 1 1 67 67 TRP C C 13 174.5 . . 1 . . . . . . . . 4342 1 809 . 1 1 68 68 LEU N N 15 125.2 . . 1 . . . . . . . . 4342 1 810 . 1 1 68 68 LEU H H 1 8.71 . . 1 . . . . . . . . 4342 1 811 . 1 1 68 68 LEU CA C 13 53.7 . . 1 . . . . . . . . 4342 1 812 . 1 1 68 68 LEU HA H 1 5.36 . . 1 . . . . . . . . 4342 1 813 . 1 1 68 68 LEU CB C 13 48.3 . . 1 . . . . . . . . 4342 1 814 . 1 1 68 68 LEU HB2 H 1 1.92 . . 2 . . . . . . . . 4342 1 815 . 1 1 68 68 LEU HB3 H 1 1.53 . . 2 . . . . . . . . 4342 1 816 . 1 1 68 68 LEU CG C 13 27.1 . . 1 . . . . . . . . 4342 1 817 . 1 1 68 68 LEU HG H 1 1.59 . . 1 . . . . . . . . 4342 1 818 . 1 1 68 68 LEU HD11 H 1 0.98 . . 1 . . . . . . . . 4342 1 819 . 1 1 68 68 LEU HD12 H 1 0.98 . . 1 . . . . . . . . 4342 1 820 . 1 1 68 68 LEU HD13 H 1 0.98 . . 1 . . . . . . . . 4342 1 821 . 1 1 68 68 LEU HD21 H 1 0.98 . . 1 . . . . . . . . 4342 1 822 . 1 1 68 68 LEU HD22 H 1 0.98 . . 1 . . . . . . . . 4342 1 823 . 1 1 68 68 LEU HD23 H 1 0.98 . . 1 . . . . . . . . 4342 1 824 . 1 1 68 68 LEU CD1 C 13 27.1 . . 1 . . . . . . . . 4342 1 825 . 1 1 68 68 LEU CD2 C 13 27.1 . . 1 . . . . . . . . 4342 1 826 . 1 1 69 69 SER N N 15 123.3 . . 1 . . . . . . . . 4342 1 827 . 1 1 69 69 SER H H 1 9.27 . . 1 . . . . . . . . 4342 1 828 . 1 1 69 69 SER CA C 13 57.3 . . 1 . . . . . . . . 4342 1 829 . 1 1 69 69 SER HA H 1 4.49 . . 1 . . . . . . . . 4342 1 830 . 1 1 69 69 SER CB C 13 63.8 . . 1 . . . . . . . . 4342 1 831 . 1 1 69 69 SER HB2 H 1 3.77 . . 2 . . . . . . . . 4342 1 832 . 1 1 69 69 SER HB3 H 1 3.67 . . 2 . . . . . . . . 4342 1 833 . 1 1 70 70 SER N N 15 122.7 . . 1 . . . . . . . . 4342 1 834 . 1 1 70 70 SER H H 1 7.57 . . 1 . . . . . . . . 4342 1 835 . 1 1 70 70 SER CA C 13 51.7 . . 1 . . . . . . . . 4342 1 836 . 1 1 70 70 SER HA H 1 4.84 . . 1 . . . . . . . . 4342 1 837 . 1 1 70 70 SER CB C 13 63.2 . . 1 . . . . . . . . 4342 1 838 . 1 1 70 70 SER HB2 H 1 4.15 . . 2 . . . . . . . . 4342 1 839 . 1 1 70 70 SER HB3 H 1 3.85 . . 2 . . . . . . . . 4342 1 840 . 1 1 70 70 SER C C 13 173.2 . . 1 . . . . . . . . 4342 1 841 . 1 1 71 71 PRO CD C 13 49.1 . . 1 . . . . . . . . 4342 1 842 . 1 1 71 71 PRO CA C 13 64.0 . . 1 . . . . . . . . 4342 1 843 . 1 1 71 71 PRO HA H 1 4.36 . . 1 . . . . . . . . 4342 1 844 . 1 1 71 71 PRO CB C 13 32.0 . . 1 . . . . . . . . 4342 1 845 . 1 1 71 71 PRO HB2 H 1 2.25 . . 2 . . . . . . . . 4342 1 846 . 1 1 71 71 PRO HB3 H 1 2.10 . . 2 . . . . . . . . 4342 1 847 . 1 1 71 71 PRO CG C 13 26.9 . . 1 . . . . . . . . 4342 1 848 . 1 1 71 71 PRO HG2 H 1 1.70 . . 2 . . . . . . . . 4342 1 849 . 1 1 71 71 PRO HG3 H 1 1.50 . . 2 . . . . . . . . 4342 1 850 . 1 1 71 71 PRO HD2 H 1 2.66 . . 2 . . . . . . . . 4342 1 851 . 1 1 71 71 PRO HD3 H 1 2.50 . . 2 . . . . . . . . 4342 1 852 . 1 1 72 72 SER N N 15 115.2 . . 1 . . . . . . . . 4342 1 853 . 1 1 72 72 SER H H 1 7.84 . . 1 . . . . . . . . 4342 1 854 . 1 1 72 72 SER CA C 13 59.1 . . 1 . . . . . . . . 4342 1 855 . 1 1 72 72 SER HA H 1 4.62 . . 1 . . . . . . . . 4342 1 856 . 1 1 72 72 SER CB C 13 64.5 . . 1 . . . . . . . . 4342 1 857 . 1 1 72 72 SER HB2 H 1 3.72 . . 2 . . . . . . . . 4342 1 858 . 1 1 72 72 SER HB3 H 1 3.66 . . 2 . . . . . . . . 4342 1 859 . 1 1 72 72 SER C C 13 175.9 . . 1 . . . . . . . . 4342 1 860 . 1 1 73 73 SER N N 15 116.3 . . 1 . . . . . . . . 4342 1 861 . 1 1 73 73 SER H H 1 8.23 . . 1 . . . . . . . . 4342 1 862 . 1 1 73 73 SER CA C 13 58.0 . . 1 . . . . . . . . 4342 1 863 . 1 1 73 73 SER HA H 1 4.68 . . 1 . . . . . . . . 4342 1 864 . 1 1 73 73 SER CB C 13 64.0 . . 1 . . . . . . . . 4342 1 865 . 1 1 73 73 SER HB2 H 1 4.01 . . 2 . . . . . . . . 4342 1 866 . 1 1 73 73 SER HB3 H 1 3.60 . . 2 . . . . . . . . 4342 1 867 . 1 1 73 73 SER C C 13 175.7 . . 1 . . . . . . . . 4342 1 868 . 1 1 74 74 GLY N N 15 115.2 . . 1 . . . . . . . . 4342 1 869 . 1 1 74 74 GLY H H 1 7.94 . . 1 . . . . . . . . 4342 1 870 . 1 1 74 74 GLY CA C 13 45.6 . . 1 . . . . . . . . 4342 1 871 . 1 1 74 74 GLY HA2 H 1 4.38 . . 2 . . . . . . . . 4342 1 872 . 1 1 74 74 GLY HA3 H 1 3.93 . . 2 . . . . . . . . 4342 1 873 . 1 1 74 74 GLY C C 13 175.3 . . 1 . . . . . . . . 4342 1 874 . 1 1 75 75 PRO CD C 13 49.7 . . 1 . . . . . . . . 4342 1 875 . 1 1 75 75 PRO CA C 13 62.2 . . 1 . . . . . . . . 4342 1 876 . 1 1 75 75 PRO HA H 1 5.42 . . 1 . . . . . . . . 4342 1 877 . 1 1 75 75 PRO CB C 13 32.6 . . 1 . . . . . . . . 4342 1 878 . 1 1 75 75 PRO HB2 H 1 2.13 . . 2 . . . . . . . . 4342 1 879 . 1 1 75 75 PRO HB3 H 1 1.78 . . 2 . . . . . . . . 4342 1 880 . 1 1 75 75 PRO CG C 13 27.0 . . 1 . . . . . . . . 4342 1 881 . 1 1 75 75 PRO HG2 H 1 1.98 . . 1 . . . . . . . . 4342 1 882 . 1 1 75 75 PRO HG3 H 1 1.98 . . 1 . . . . . . . . 4342 1 883 . 1 1 75 75 PRO HD2 H 1 3.67 . . 2 . . . . . . . . 4342 1 884 . 1 1 75 75 PRO HD3 H 1 3.56 . . 2 . . . . . . . . 4342 1 885 . 1 1 76 76 LYS N N 15 124.1 . . 1 . . . . . . . . 4342 1 886 . 1 1 76 76 LYS H H 1 9.09 . . 1 . . . . . . . . 4342 1 887 . 1 1 76 76 LYS CA C 13 55.8 . . 1 . . . . . . . . 4342 1 888 . 1 1 76 76 LYS HA H 1 3.99 . . 1 . . . . . . . . 4342 1 889 . 1 1 76 76 LYS CB C 13 39.0 . . 1 . . . . . . . . 4342 1 890 . 1 1 76 76 LYS HB2 H 1 1.40 . . 2 . . . . . . . . 4342 1 891 . 1 1 76 76 LYS HB3 H 1 0.66 . . 2 . . . . . . . . 4342 1 892 . 1 1 76 76 LYS CG C 13 25.5 . . 1 . . . . . . . . 4342 1 893 . 1 1 76 76 LYS HG2 H 1 1.06 . . 1 . . . . . . . . 4342 1 894 . 1 1 76 76 LYS HG3 H 1 1.06 . . 1 . . . . . . . . 4342 1 895 . 1 1 76 76 LYS CD C 13 28.9 . . 1 . . . . . . . . 4342 1 896 . 1 1 76 76 LYS HD2 H 1 1.19 . . 2 . . . . . . . . 4342 1 897 . 1 1 76 76 LYS HD3 H 1 0.96 . . 2 . . . . . . . . 4342 1 898 . 1 1 76 76 LYS CE C 13 42.4 . . 1 . . . . . . . . 4342 1 899 . 1 1 76 76 LYS HE2 H 1 2.73 . . 2 . . . . . . . . 4342 1 900 . 1 1 76 76 LYS HE3 H 1 2.62 . . 2 . . . . . . . . 4342 1 901 . 1 1 77 77 ARG N N 15 121.6 . . 1 . . . . . . . . 4342 1 902 . 1 1 77 77 ARG H H 1 6.38 . . 1 . . . . . . . . 4342 1 903 . 1 1 77 77 ARG CA C 13 55.3 . . 1 . . . . . . . . 4342 1 904 . 1 1 77 77 ARG HA H 1 4.71 . . 1 . . . . . . . . 4342 1 905 . 1 1 77 77 ARG CB C 13 32.6 . . 1 . . . . . . . . 4342 1 906 . 1 1 77 77 ARG HB2 H 1 1.67 . . 2 . . . . . . . . 4342 1 907 . 1 1 77 77 ARG HB3 H 1 1.42 . . 2 . . . . . . . . 4342 1 908 . 1 1 77 77 ARG CG C 13 25.9 . . 1 . . . . . . . . 4342 1 909 . 1 1 77 77 ARG HG2 H 1 1.04 . . 2 . . . . . . . . 4342 1 910 . 1 1 77 77 ARG HG3 H 1 -0.09 . . 2 . . . . . . . . 4342 1 911 . 1 1 77 77 ARG CD C 13 43.4 . . 1 . . . . . . . . 4342 1 912 . 1 1 77 77 ARG HD2 H 1 2.84 . . 2 . . . . . . . . 4342 1 913 . 1 1 77 77 ARG HD3 H 1 2.80 . . 2 . . . . . . . . 4342 1 914 . 1 1 77 77 ARG C C 13 174.4 . . 1 . . . . . . . . 4342 1 915 . 1 1 78 78 TYR N N 15 123.8 . . 1 . . . . . . . . 4342 1 916 . 1 1 78 78 TYR H H 1 9.60 . . 1 . . . . . . . . 4342 1 917 . 1 1 78 78 TYR CA C 13 59.7 . . 1 . . . . . . . . 4342 1 918 . 1 1 78 78 TYR HA H 1 4.68 . . 1 . . . . . . . . 4342 1 919 . 1 1 78 78 TYR CB C 13 41.1 . . 1 . . . . . . . . 4342 1 920 . 1 1 78 78 TYR HB2 H 1 3.41 . . 2 . . . . . . . . 4342 1 921 . 1 1 78 78 TYR HB3 H 1 3.11 . . 2 . . . . . . . . 4342 1 922 . 1 1 78 78 TYR HD1 H 1 6.99 . . 1 . . . . . . . . 4342 1 923 . 1 1 78 78 TYR HD2 H 1 6.99 . . 1 . . . . . . . . 4342 1 924 . 1 1 78 78 TYR HE1 H 1 6.79 . . 1 . . . . . . . . 4342 1 925 . 1 1 78 78 TYR HE2 H 1 6.79 . . 1 . . . . . . . . 4342 1 926 . 1 1 78 78 TYR CD1 C 13 131.1 . . 1 . . . . . . . . 4342 1 927 . 1 1 78 78 TYR CE1 C 13 118.0 . . 1 . . . . . . . . 4342 1 928 . 1 1 79 79 ASP N N 15 123.8 . . 1 . . . . . . . . 4342 1 929 . 1 1 79 79 ASP H H 1 8.92 . . 1 . . . . . . . . 4342 1 930 . 1 1 79 79 ASP CA C 13 53.8 . . 1 . . . . . . . . 4342 1 931 . 1 1 79 79 ASP HA H 1 5.70 . . 1 . . . . . . . . 4342 1 932 . 1 1 79 79 ASP CB C 13 45.4 . . 1 . . . . . . . . 4342 1 933 . 1 1 79 79 ASP HB2 H 1 2.90 . . 2 . . . . . . . . 4342 1 934 . 1 1 79 79 ASP HB3 H 1 2.72 . . 2 . . . . . . . . 4342 1 935 . 1 1 80 80 TRP N N 15 124.9 . . 1 . . . . . . . . 4342 1 936 . 1 1 80 80 TRP H H 1 9.29 . . 1 . . . . . . . . 4342 1 937 . 1 1 80 80 TRP CA C 13 56.1 . . 1 . . . . . . . . 4342 1 938 . 1 1 80 80 TRP HA H 1 4.72 . . 1 . . . . . . . . 4342 1 939 . 1 1 80 80 TRP CB C 13 30.2 . . 1 . . . . . . . . 4342 1 940 . 1 1 80 80 TRP HB2 H 1 2.98 . . 2 . . . . . . . . 4342 1 941 . 1 1 80 80 TRP HB3 H 1 2.39 . . 2 . . . . . . . . 4342 1 942 . 1 1 80 80 TRP CD2 C 13 125.8 . . 1 . . . . . . . . 4342 1 943 . 1 1 80 80 TRP CE3 C 13 120.6 . . 1 . . . . . . . . 4342 1 944 . 1 1 80 80 TRP NE1 N 15 130.0 . . 1 . . . . . . . . 4342 1 945 . 1 1 80 80 TRP HD1 H 1 6.92 . . 1 . . . . . . . . 4342 1 946 . 1 1 80 80 TRP HE3 H 1 5.08 . . 1 . . . . . . . . 4342 1 947 . 1 1 80 80 TRP CZ3 C 13 119.1 . . 1 . . . . . . . . 4342 1 948 . 1 1 80 80 TRP CZ2 C 13 113.4 . . 1 . . . . . . . . 4342 1 949 . 1 1 80 80 TRP HE1 H 1 10.05 . . 1 . . . . . . . . 4342 1 950 . 1 1 80 80 TRP HZ3 H 1 6.13 . . 1 . . . . . . . . 4342 1 951 . 1 1 80 80 TRP CH2 C 13 123.9 . . 1 . . . . . . . . 4342 1 952 . 1 1 80 80 TRP HZ2 H 1 6.93 . . 1 . . . . . . . . 4342 1 953 . 1 1 80 80 TRP HH2 H 1 6.61 . . 1 . . . . . . . . 4342 1 954 . 1 1 80 80 TRP C C 13 175.5 . . 1 . . . . . . . . 4342 1 955 . 1 1 81 81 THR N N 15 118.3 . . 1 . . . . . . . . 4342 1 956 . 1 1 81 81 THR H H 1 8.29 . . 1 . . . . . . . . 4342 1 957 . 1 1 81 81 THR CA C 13 61.2 . . 1 . . . . . . . . 4342 1 958 . 1 1 81 81 THR HA H 1 4.20 . . 1 . . . . . . . . 4342 1 959 . 1 1 81 81 THR CB C 13 72.2 . . 1 . . . . . . . . 4342 1 960 . 1 1 81 81 THR HB H 1 4.35 . . 1 . . . . . . . . 4342 1 961 . 1 1 81 81 THR HG21 H 1 1.18 . . 1 . . . . . . . . 4342 1 962 . 1 1 81 81 THR HG22 H 1 1.18 . . 1 . . . . . . . . 4342 1 963 . 1 1 81 81 THR HG23 H 1 1.18 . . 1 . . . . . . . . 4342 1 964 . 1 1 81 81 THR CG2 C 13 21.5 . . 1 . . . . . . . . 4342 1 965 . 1 1 82 82 GLY N N 15 110.4 . . 1 . . . . . . . . 4342 1 966 . 1 1 82 82 GLY H H 1 4.38 . . 1 . . . . . . . . 4342 1 967 . 1 1 82 82 GLY CA C 13 45.7 . . 1 . . . . . . . . 4342 1 968 . 1 1 82 82 GLY HA2 H 1 4.26 . . 2 . . . . . . . . 4342 1 969 . 1 1 82 82 GLY HA3 H 1 3.16 . . 2 . . . . . . . . 4342 1 970 . 1 1 83 83 LYS N N 15 117.2 . . 1 . . . . . . . . 4342 1 971 . 1 1 83 83 LYS H H 1 6.67 . . 1 . . . . . . . . 4342 1 972 . 1 1 83 83 LYS CA C 13 56.0 . . 1 . . . . . . . . 4342 1 973 . 1 1 83 83 LYS HA H 1 4.16 . . 1 . . . . . . . . 4342 1 974 . 1 1 83 83 LYS CB C 13 35.7 . . 1 . . . . . . . . 4342 1 975 . 1 1 83 83 LYS HB2 H 1 1.45 . . 1 . . . . . . . . 4342 1 976 . 1 1 83 83 LYS HB3 H 1 1.45 . . 1 . . . . . . . . 4342 1 977 . 1 1 83 83 LYS CG C 13 23.6 . . 1 . . . . . . . . 4342 1 978 . 1 1 83 83 LYS HG2 H 1 1.04 . . 2 . . . . . . . . 4342 1 979 . 1 1 83 83 LYS HG3 H 1 0.86 . . 2 . . . . . . . . 4342 1 980 . 1 1 83 83 LYS CD C 13 29.1 . . 1 . . . . . . . . 4342 1 981 . 1 1 83 83 LYS HD2 H 1 1.05 . . 1 . . . . . . . . 4342 1 982 . 1 1 83 83 LYS HD3 H 1 1.05 . . 1 . . . . . . . . 4342 1 983 . 1 1 83 83 LYS CE C 13 41.9 . . 1 . . . . . . . . 4342 1 984 . 1 1 83 83 LYS HE2 H 1 2.82 . . 1 . . . . . . . . 4342 1 985 . 1 1 83 83 LYS HE3 H 1 2.82 . . 1 . . . . . . . . 4342 1 986 . 1 1 83 83 LYS C C 13 172.7 . . 1 . . . . . . . . 4342 1 987 . 1 1 84 84 ASN N N 15 118.0 . . 1 . . . . . . . . 4342 1 988 . 1 1 84 84 ASN H H 1 6.62 . . 1 . . . . . . . . 4342 1 989 . 1 1 84 84 ASN CA C 13 51.7 . . 1 . . . . . . . . 4342 1 990 . 1 1 84 84 ASN HA H 1 4.56 . . 1 . . . . . . . . 4342 1 991 . 1 1 84 84 ASN CB C 13 37.2 . . 1 . . . . . . . . 4342 1 992 . 1 1 84 84 ASN HB2 H 1 3.34 . . 2 . . . . . . . . 4342 1 993 . 1 1 84 84 ASN HB3 H 1 2.81 . . 2 . . . . . . . . 4342 1 994 . 1 1 84 84 ASN ND2 N 15 117.8 . . 1 . . . . . . . . 4342 1 995 . 1 1 84 84 ASN HD21 H 1 8.84 . . 2 . . . . . . . . 4342 1 996 . 1 1 84 84 ASN HD22 H 1 6.94 . . 2 . . . . . . . . 4342 1 997 . 1 1 84 84 ASN C C 13 172.5 . . 1 . . . . . . . . 4342 1 998 . 1 1 85 85 TRP N N 15 121.9 . . 1 . . . . . . . . 4342 1 999 . 1 1 85 85 TRP H H 1 9.02 . . 1 . . . . . . . . 4342 1 1000 . 1 1 85 85 TRP CA C 13 55.2 . . 1 . . . . . . . . 4342 1 1001 . 1 1 85 85 TRP HA H 1 5.77 . . 1 . . . . . . . . 4342 1 1002 . 1 1 85 85 TRP CB C 13 30.1 . . 1 . . . . . . . . 4342 1 1003 . 1 1 85 85 TRP HB2 H 1 3.41 . . 2 . . . . . . . . 4342 1 1004 . 1 1 85 85 TRP HB3 H 1 3.21 . . 2 . . . . . . . . 4342 1 1005 . 1 1 85 85 TRP CD2 C 13 125.6 . . 1 . . . . . . . . 4342 1 1006 . 1 1 85 85 TRP CE3 C 13 119.7 . . 1 . . . . . . . . 4342 1 1007 . 1 1 85 85 TRP NE1 N 15 132.0 . . 1 . . . . . . . . 4342 1 1008 . 1 1 85 85 TRP HD1 H 1 7.63 . . 1 . . . . . . . . 4342 1 1009 . 1 1 85 85 TRP HE3 H 1 7.63 . . 1 . . . . . . . . 4342 1 1010 . 1 1 85 85 TRP CZ3 C 13 121.2 . . 1 . . . . . . . . 4342 1 1011 . 1 1 85 85 TRP CZ2 C 13 112.8 . . 1 . . . . . . . . 4342 1 1012 . 1 1 85 85 TRP HE1 H 1 9.90 . . 1 . . . . . . . . 4342 1 1013 . 1 1 85 85 TRP HZ3 H 1 7.56 . . 1 . . . . . . . . 4342 1 1014 . 1 1 85 85 TRP CH2 C 13 122.5 . . 1 . . . . . . . . 4342 1 1015 . 1 1 85 85 TRP HZ2 H 1 6.50 . . 1 . . . . . . . . 4342 1 1016 . 1 1 85 85 TRP HH2 H 1 6.94 . . 1 . . . . . . . . 4342 1 1017 . 1 1 85 85 TRP C C 13 178.0 . . 1 . . . . . . . . 4342 1 1018 . 1 1 86 86 VAL N N 15 124.1 . . 1 . . . . . . . . 4342 1 1019 . 1 1 86 86 VAL H H 1 9.61 . . 1 . . . . . . . . 4342 1 1020 . 1 1 86 86 VAL CA C 13 62.0 . . 1 . . . . . . . . 4342 1 1021 . 1 1 86 86 VAL HA H 1 4.90 . . 1 . . . . . . . . 4342 1 1022 . 1 1 86 86 VAL CB C 13 37.2 . . 1 . . . . . . . . 4342 1 1023 . 1 1 86 86 VAL HB H 1 1.77 . . 1 . . . . . . . . 4342 1 1024 . 1 1 86 86 VAL HG11 H 1 0.80 . . 2 . . . . . . . . 4342 1 1025 . 1 1 86 86 VAL HG12 H 1 0.80 . . 2 . . . . . . . . 4342 1 1026 . 1 1 86 86 VAL HG13 H 1 0.80 . . 2 . . . . . . . . 4342 1 1027 . 1 1 86 86 VAL HG21 H 1 0.75 . . 2 . . . . . . . . 4342 1 1028 . 1 1 86 86 VAL HG22 H 1 0.75 . . 2 . . . . . . . . 4342 1 1029 . 1 1 86 86 VAL HG23 H 1 0.75 . . 2 . . . . . . . . 4342 1 1030 . 1 1 86 86 VAL CG1 C 13 22.2 . . 1 . . . . . . . . 4342 1 1031 . 1 1 86 86 VAL CG2 C 13 22.2 . . 1 . . . . . . . . 4342 1 1032 . 1 1 87 87 TYR N N 15 133.0 . . 1 . . . . . . . . 4342 1 1033 . 1 1 87 87 TYR H H 1 7.94 . . 1 . . . . . . . . 4342 1 1034 . 1 1 87 87 TYR CA C 13 54.0 . . 1 . . . . . . . . 4342 1 1035 . 1 1 87 87 TYR HA H 1 5.20 . . 1 . . . . . . . . 4342 1 1036 . 1 1 87 87 TYR CB C 13 37.2 . . 1 . . . . . . . . 4342 1 1037 . 1 1 87 87 TYR HB2 H 1 3.67 . . 2 . . . . . . . . 4342 1 1038 . 1 1 87 87 TYR HB3 H 1 2.55 . . 2 . . . . . . . . 4342 1 1039 . 1 1 87 87 TYR HD1 H 1 7.67 . . 1 . . . . . . . . 4342 1 1040 . 1 1 87 87 TYR HD2 H 1 7.67 . . 1 . . . . . . . . 4342 1 1041 . 1 1 87 87 TYR HE1 H 1 6.97 . . 1 . . . . . . . . 4342 1 1042 . 1 1 87 87 TYR HE2 H 1 6.97 . . 1 . . . . . . . . 4342 1 1043 . 1 1 87 87 TYR CD1 C 13 132.4 . . 1 . . . . . . . . 4342 1 1044 . 1 1 87 87 TYR CE1 C 13 117.1 . . 1 . . . . . . . . 4342 1 1045 . 1 1 87 87 TYR C C 13 174.9 . . 1 . . . . . . . . 4342 1 1046 . 1 1 88 88 SER N N 15 129.4 . . 1 . . . . . . . . 4342 1 1047 . 1 1 88 88 SER H H 1 9.45 . . 1 . . . . . . . . 4342 1 1048 . 1 1 88 88 SER CA C 13 61.7 . . 1 . . . . . . . . 4342 1 1049 . 1 1 88 88 SER HA H 1 3.92 . . 1 . . . . . . . . 4342 1 1050 . 1 1 88 88 SER CB C 13 62.4 . . 1 . . . . . . . . 4342 1 1051 . 1 1 88 88 SER HB2 H 1 3.86 . . 1 . . . . . . . . 4342 1 1052 . 1 1 88 88 SER HB3 H 1 3.86 . . 1 . . . . . . . . 4342 1 1053 . 1 1 88 88 SER C C 13 176.2 . . 1 . . . . . . . . 4342 1 1054 . 1 1 89 89 HIS N N 15 118.5 . . 1 . . . . . . . . 4342 1 1055 . 1 1 89 89 HIS H H 1 5.94 . . 1 . . . . . . . . 4342 1 1056 . 1 1 89 89 HIS CA C 13 58.4 . . 1 . . . . . . . . 4342 1 1057 . 1 1 89 89 HIS HA H 1 4.07 . . 1 . . . . . . . . 4342 1 1058 . 1 1 89 89 HIS CB C 13 30.6 . . 1 . . . . . . . . 4342 1 1059 . 1 1 89 89 HIS HB2 H 1 2.38 . . 2 . . . . . . . . 4342 1 1060 . 1 1 89 89 HIS HB3 H 1 2.15 . . 2 . . . . . . . . 4342 1 1061 . 1 1 89 89 HIS CD2 C 13 118.5 . . 1 . . . . . . . . 4342 1 1062 . 1 1 89 89 HIS CE1 C 13 136.0 . . 1 . . . . . . . . 4342 1 1063 . 1 1 89 89 HIS HD2 H 1 6.95 . . 1 . . . . . . . . 4342 1 1064 . 1 1 89 89 HIS HE1 H 1 8.15 . . 1 . . . . . . . . 4342 1 1065 . 1 1 89 89 HIS C C 13 175.4 . . 1 . . . . . . . . 4342 1 1066 . 1 1 90 90 ASP N N 15 115.2 . . 1 . . . . . . . . 4342 1 1067 . 1 1 90 90 ASP H H 1 6.77 . . 1 . . . . . . . . 4342 1 1068 . 1 1 90 90 ASP CA C 13 53.1 . . 1 . . . . . . . . 4342 1 1069 . 1 1 90 90 ASP HA H 1 4.70 . . 1 . . . . . . . . 4342 1 1070 . 1 1 90 90 ASP CB C 13 42.8 . . 1 . . . . . . . . 4342 1 1071 . 1 1 90 90 ASP HB2 H 1 3.04 . . 2 . . . . . . . . 4342 1 1072 . 1 1 90 90 ASP HB3 H 1 2.44 . . 2 . . . . . . . . 4342 1 1073 . 1 1 90 90 ASP C C 13 175.1 . . 1 . . . . . . . . 4342 1 1074 . 1 1 91 91 GLY N N 15 112.2 . . 1 . . . . . . . . 4342 1 1075 . 1 1 91 91 GLY H H 1 8.67 . . 1 . . . . . . . . 4342 1 1076 . 1 1 91 91 GLY CA C 13 46.5 . . 1 . . . . . . . . 4342 1 1077 . 1 1 91 91 GLY HA2 H 1 4.08 . . 2 . . . . . . . . 4342 1 1078 . 1 1 91 91 GLY HA3 H 1 3.56 . . 2 . . . . . . . . 4342 1 1079 . 1 1 91 91 GLY C C 13 177.3 . . 1 . . . . . . . . 4342 1 1080 . 1 1 92 92 VAL N N 15 126.9 . . 1 . . . . . . . . 4342 1 1081 . 1 1 92 92 VAL H H 1 8.70 . . 1 . . . . . . . . 4342 1 1082 . 1 1 92 92 VAL CA C 13 63.8 . . 1 . . . . . . . . 4342 1 1083 . 1 1 92 92 VAL HA H 1 4.12 . . 1 . . . . . . . . 4342 1 1084 . 1 1 92 92 VAL CB C 13 32.3 . . 1 . . . . . . . . 4342 1 1085 . 1 1 92 92 VAL HB H 1 2.43 . . 1 . . . . . . . . 4342 1 1086 . 1 1 92 92 VAL HG11 H 1 1.27 . . 2 . . . . . . . . 4342 1 1087 . 1 1 92 92 VAL HG12 H 1 1.27 . . 2 . . . . . . . . 4342 1 1088 . 1 1 92 92 VAL HG13 H 1 1.27 . . 2 . . . . . . . . 4342 1 1089 . 1 1 92 92 VAL HG21 H 1 0.91 . . 2 . . . . . . . . 4342 1 1090 . 1 1 92 92 VAL HG22 H 1 0.91 . . 2 . . . . . . . . 4342 1 1091 . 1 1 92 92 VAL HG23 H 1 0.91 . . 2 . . . . . . . . 4342 1 1092 . 1 1 92 92 VAL CG1 C 13 21.6 . . 1 . . . . . . . . 4342 1 1093 . 1 1 92 92 VAL CG2 C 13 21.6 . . 1 . . . . . . . . 4342 1 1094 . 1 1 92 92 VAL C C 13 173.9 . . 1 . . . . . . . . 4342 1 1095 . 1 1 93 93 SER N N 15 129.9 . . 1 . . . . . . . . 4342 1 1096 . 1 1 93 93 SER H H 1 9.25 . . 1 . . . . . . . . 4342 1 1097 . 1 1 93 93 SER CA C 13 57.9 . . 1 . . . . . . . . 4342 1 1098 . 1 1 93 93 SER HA H 1 5.61 . . 1 . . . . . . . . 4342 1 1099 . 1 1 93 93 SER CB C 13 66.3 . . 1 . . . . . . . . 4342 1 1100 . 1 1 93 93 SER HB2 H 1 4.70 . . 2 . . . . . . . . 4342 1 1101 . 1 1 93 93 SER HB3 H 1 4.11 . . 2 . . . . . . . . 4342 1 1102 . 1 1 93 93 SER C C 13 177.9 . . 1 . . . . . . . . 4342 1 1103 . 1 1 94 94 LEU N N 15 125.8 . . 1 . . . . . . . . 4342 1 1104 . 1 1 94 94 LEU H H 1 8.31 . . 1 . . . . . . . . 4342 1 1105 . 1 1 94 94 LEU CA C 13 58.0 . . 1 . . . . . . . . 4342 1 1106 . 1 1 94 94 LEU HA H 1 3.54 . . 1 . . . . . . . . 4342 1 1107 . 1 1 94 94 LEU CB C 13 42.6 . . 1 . . . . . . . . 4342 1 1108 . 1 1 94 94 LEU HB2 H 1 1.43 . . 2 . . . . . . . . 4342 1 1109 . 1 1 94 94 LEU HB3 H 1 0.39 . . 2 . . . . . . . . 4342 1 1110 . 1 1 94 94 LEU CG C 13 26.1 . . 1 . . . . . . . . 4342 1 1111 . 1 1 94 94 LEU HG H 1 0.72 . . 1 . . . . . . . . 4342 1 1112 . 1 1 94 94 LEU HD11 H 1 0.23 . . 2 . . . . . . . . 4342 1 1113 . 1 1 94 94 LEU HD12 H 1 0.23 . . 2 . . . . . . . . 4342 1 1114 . 1 1 94 94 LEU HD13 H 1 0.23 . . 2 . . . . . . . . 4342 1 1115 . 1 1 94 94 LEU HD21 H 1 0.17 . . 2 . . . . . . . . 4342 1 1116 . 1 1 94 94 LEU HD22 H 1 0.17 . . 2 . . . . . . . . 4342 1 1117 . 1 1 94 94 LEU HD23 H 1 0.17 . . 2 . . . . . . . . 4342 1 1118 . 1 1 94 94 LEU CD1 C 13 24.1 . . 1 . . . . . . . . 4342 1 1119 . 1 1 94 94 LEU CD2 C 13 25.9 . . 1 . . . . . . . . 4342 1 1120 . 1 1 95 95 HIS N N 15 117.4 . . 1 . . . . . . . . 4342 1 1121 . 1 1 95 95 HIS H H 1 7.63 . . 1 . . . . . . . . 4342 1 1122 . 1 1 95 95 HIS CA C 13 62.2 . . 1 . . . . . . . . 4342 1 1123 . 1 1 95 95 HIS HA H 1 3.64 . . 1 . . . . . . . . 4342 1 1124 . 1 1 95 95 HIS CB C 13 30.6 . . 1 . . . . . . . . 4342 1 1125 . 1 1 95 95 HIS HB2 H 1 2.86 . . 1 . . . . . . . . 4342 1 1126 . 1 1 95 95 HIS HB3 H 1 2.86 . . 1 . . . . . . . . 4342 1 1127 . 1 1 95 95 HIS CD2 C 13 115.0 . . 1 . . . . . . . . 4342 1 1128 . 1 1 95 95 HIS CE1 C 13 137.4 . . 1 . . . . . . . . 4342 1 1129 . 1 1 95 95 HIS HD2 H 1 6.99 . . 1 . . . . . . . . 4342 1 1130 . 1 1 95 95 HIS HE1 H 1 7.50 . . 1 . . . . . . . . 4342 1 1131 . 1 1 95 95 HIS C C 13 176.6 . . 1 . . . . . . . . 4342 1 1132 . 1 1 96 96 GLU N N 15 124.9 . . 1 . . . . . . . . 4342 1 1133 . 1 1 96 96 GLU H H 1 8.24 . . 1 . . . . . . . . 4342 1 1134 . 1 1 96 96 GLU CA C 13 59.5 . . 1 . . . . . . . . 4342 1 1135 . 1 1 96 96 GLU HA H 1 4.00 . . 1 . . . . . . . . 4342 1 1136 . 1 1 96 96 GLU CB C 13 30.1 . . 1 . . . . . . . . 4342 1 1137 . 1 1 96 96 GLU HB2 H 1 2.43 . . 2 . . . . . . . . 4342 1 1138 . 1 1 96 96 GLU HB3 H 1 2.02 . . 2 . . . . . . . . 4342 1 1139 . 1 1 96 96 GLU CG C 13 37.0 . . 1 . . . . . . . . 4342 1 1140 . 1 1 96 96 GLU HG2 H 1 2.33 . . 1 . . . . . . . . 4342 1 1141 . 1 1 96 96 GLU HG3 H 1 2.33 . . 1 . . . . . . . . 4342 1 1142 . 1 1 97 97 LEU N N 15 126.3 . . 1 . . . . . . . . 4342 1 1143 . 1 1 97 97 LEU H H 1 8.50 . . 1 . . . . . . . . 4342 1 1144 . 1 1 97 97 LEU CA C 13 58.6 . . 1 . . . . . . . . 4342 1 1145 . 1 1 97 97 LEU HA H 1 4.21 . . 1 . . . . . . . . 4342 1 1146 . 1 1 97 97 LEU CB C 13 40.8 . . 1 . . . . . . . . 4342 1 1147 . 1 1 97 97 LEU HB2 H 1 2.17 . . 2 . . . . . . . . 4342 1 1148 . 1 1 97 97 LEU HB3 H 1 1.93 . . 2 . . . . . . . . 4342 1 1149 . 1 1 97 97 LEU CG C 13 27.9 . . 1 . . . . . . . . 4342 1 1150 . 1 1 97 97 LEU HG H 1 1.71 . . 1 . . . . . . . . 4342 1 1151 . 1 1 97 97 LEU HD11 H 1 0.93 . . 1 . . . . . . . . 4342 1 1152 . 1 1 97 97 LEU HD12 H 1 0.93 . . 1 . . . . . . . . 4342 1 1153 . 1 1 97 97 LEU HD13 H 1 0.93 . . 1 . . . . . . . . 4342 1 1154 . 1 1 97 97 LEU HD21 H 1 0.93 . . 1 . . . . . . . . 4342 1 1155 . 1 1 97 97 LEU HD22 H 1 0.93 . . 1 . . . . . . . . 4342 1 1156 . 1 1 97 97 LEU HD23 H 1 0.93 . . 1 . . . . . . . . 4342 1 1157 . 1 1 97 97 LEU CD1 C 13 24.9 . . 1 . . . . . . . . 4342 1 1158 . 1 1 97 97 LEU CD2 C 13 25.1 . . 1 . . . . . . . . 4342 1 1159 . 1 1 97 97 LEU C C 13 174.8 . . 1 . . . . . . . . 4342 1 1160 . 1 1 98 98 LEU N N 15 119.4 . . 1 . . . . . . . . 4342 1 1161 . 1 1 98 98 LEU H H 1 8.15 . . 1 . . . . . . . . 4342 1 1162 . 1 1 98 98 LEU CA C 13 57.9 . . 1 . . . . . . . . 4342 1 1163 . 1 1 98 98 LEU HA H 1 3.81 . . 1 . . . . . . . . 4342 1 1164 . 1 1 98 98 LEU CB C 13 42.9 . . 1 . . . . . . . . 4342 1 1165 . 1 1 98 98 LEU HB2 H 1 1.71 . . 2 . . . . . . . . 4342 1 1166 . 1 1 98 98 LEU HB3 H 1 1.02 . . 2 . . . . . . . . 4342 1 1167 . 1 1 98 98 LEU CG C 13 26.5 . . 1 . . . . . . . . 4342 1 1168 . 1 1 98 98 LEU HG H 1 0.87 . . 1 . . . . . . . . 4342 1 1169 . 1 1 98 98 LEU HD11 H 1 0.55 . . 2 . . . . . . . . 4342 1 1170 . 1 1 98 98 LEU HD12 H 1 0.55 . . 2 . . . . . . . . 4342 1 1171 . 1 1 98 98 LEU HD13 H 1 0.55 . . 2 . . . . . . . . 4342 1 1172 . 1 1 98 98 LEU HD21 H 1 0.48 . . 2 . . . . . . . . 4342 1 1173 . 1 1 98 98 LEU HD22 H 1 0.48 . . 2 . . . . . . . . 4342 1 1174 . 1 1 98 98 LEU HD23 H 1 0.48 . . 2 . . . . . . . . 4342 1 1175 . 1 1 98 98 LEU CD1 C 13 22.5 . . 1 . . . . . . . . 4342 1 1176 . 1 1 98 98 LEU CD2 C 13 22.5 . . 1 . . . . . . . . 4342 1 1177 . 1 1 98 98 LEU C C 13 179.6 . . 1 . . . . . . . . 4342 1 1178 . 1 1 99 99 ALA N N 15 121.6 . . 1 . . . . . . . . 4342 1 1179 . 1 1 99 99 ALA H H 1 7.97 . . 1 . . . . . . . . 4342 1 1180 . 1 1 99 99 ALA CA C 13 56.6 . . 1 . . . . . . . . 4342 1 1181 . 1 1 99 99 ALA HA H 1 3.72 . . 1 . . . . . . . . 4342 1 1182 . 1 1 99 99 ALA HB1 H 1 1.60 . . 1 . . . . . . . . 4342 1 1183 . 1 1 99 99 ALA HB2 H 1 1.60 . . 1 . . . . . . . . 4342 1 1184 . 1 1 99 99 ALA HB3 H 1 1.60 . . 1 . . . . . . . . 4342 1 1185 . 1 1 99 99 ALA CB C 13 18.6 . . 1 . . . . . . . . 4342 1 1186 . 1 1 99 99 ALA C C 13 178.3 . . 1 . . . . . . . . 4342 1 1187 . 1 1 100 100 ALA N N 15 124.1 . . 1 . . . . . . . . 4342 1 1188 . 1 1 100 100 ALA H H 1 7.96 . . 1 . . . . . . . . 4342 1 1189 . 1 1 100 100 ALA CA C 13 55.8 . . 1 . . . . . . . . 4342 1 1190 . 1 1 100 100 ALA HA H 1 4.19 . . 1 . . . . . . . . 4342 1 1191 . 1 1 100 100 ALA HB1 H 1 1.63 . . 1 . . . . . . . . 4342 1 1192 . 1 1 100 100 ALA HB2 H 1 1.63 . . 1 . . . . . . . . 4342 1 1193 . 1 1 100 100 ALA HB3 H 1 1.63 . . 1 . . . . . . . . 4342 1 1194 . 1 1 100 100 ALA CB C 13 18.3 . . 1 . . . . . . . . 4342 1 1195 . 1 1 101 101 GLU N N 15 119.1 . . 1 . . . . . . . . 4342 1 1196 . 1 1 101 101 GLU H H 1 8.91 . . 1 . . . . . . . . 4342 1 1197 . 1 1 101 101 GLU CA C 13 60.4 . . 1 . . . . . . . . 4342 1 1198 . 1 1 101 101 GLU HA H 1 4.09 . . 1 . . . . . . . . 4342 1 1199 . 1 1 101 101 GLU CB C 13 29.8 . . 1 . . . . . . . . 4342 1 1200 . 1 1 101 101 GLU HB2 H 1 2.35 . . 2 . . . . . . . . 4342 1 1201 . 1 1 101 101 GLU HB3 H 1 2.14 . . 2 . . . . . . . . 4342 1 1202 . 1 1 101 101 GLU CG C 13 37.0 . . 1 . . . . . . . . 4342 1 1203 . 1 1 101 101 GLU HG2 H 1 2.96 . . 1 . . . . . . . . 4342 1 1204 . 1 1 101 101 GLU HG3 H 1 2.96 . . 1 . . . . . . . . 4342 1 1205 . 1 1 102 102 LEU N N 15 122.7 . . 1 . . . . . . . . 4342 1 1206 . 1 1 102 102 LEU H H 1 9.27 . . 1 . . . . . . . . 4342 1 1207 . 1 1 102 102 LEU CA C 13 58.1 . . 1 . . . . . . . . 4342 1 1208 . 1 1 102 102 LEU HA H 1 4.19 . . 1 . . . . . . . . 4342 1 1209 . 1 1 102 102 LEU CB C 13 42.2 . . 1 . . . . . . . . 4342 1 1210 . 1 1 102 102 LEU HB2 H 1 2.00 . . 2 . . . . . . . . 4342 1 1211 . 1 1 102 102 LEU HB3 H 1 1.39 . . 2 . . . . . . . . 4342 1 1212 . 1 1 102 102 LEU CG C 13 26.9 . . 1 . . . . . . . . 4342 1 1213 . 1 1 102 102 LEU HD11 H 1 0.96 . . 2 . . . . . . . . 4342 1 1214 . 1 1 102 102 LEU HD12 H 1 0.96 . . 2 . . . . . . . . 4342 1 1215 . 1 1 102 102 LEU HD13 H 1 0.96 . . 2 . . . . . . . . 4342 1 1216 . 1 1 102 102 LEU HD21 H 1 0.86 . . 2 . . . . . . . . 4342 1 1217 . 1 1 102 102 LEU HD22 H 1 0.86 . . 2 . . . . . . . . 4342 1 1218 . 1 1 102 102 LEU HD23 H 1 0.86 . . 2 . . . . . . . . 4342 1 1219 . 1 1 102 102 LEU CD1 C 13 23.3 . . 1 . . . . . . . . 4342 1 1220 . 1 1 102 102 LEU CD2 C 13 23.3 . . 1 . . . . . . . . 4342 1 1221 . 1 1 103 103 THR N N 15 120.0 . . 1 . . . . . . . . 4342 1 1222 . 1 1 103 103 THR H H 1 7.92 . . 1 . . . . . . . . 4342 1 1223 . 1 1 103 103 THR CA C 13 66.1 . . 1 . . . . . . . . 4342 1 1224 . 1 1 103 103 THR HA H 1 4.86 . . 1 . . . . . . . . 4342 1 1225 . 1 1 103 103 THR CB C 13 69.7 . . 1 . . . . . . . . 4342 1 1226 . 1 1 103 103 THR HB H 1 4.37 . . 1 . . . . . . . . 4342 1 1227 . 1 1 103 103 THR HG21 H 1 1.14 . . 1 . . . . . . . . 4342 1 1228 . 1 1 103 103 THR HG22 H 1 1.14 . . 1 . . . . . . . . 4342 1 1229 . 1 1 103 103 THR HG23 H 1 1.14 . . 1 . . . . . . . . 4342 1 1230 . 1 1 103 103 THR HG1 H 1 5.60 . . 1 . . . . . . . . 4342 1 1231 . 1 1 103 103 THR CG2 C 13 21.5 . . 1 . . . . . . . . 4342 1 1232 . 1 1 104 104 LYS N N 15 121.6 . . 1 . . . . . . . . 4342 1 1233 . 1 1 104 104 LYS H H 1 7.07 . . 1 . . . . . . . . 4342 1 1234 . 1 1 104 104 LYS CA C 13 59.1 . . 1 . . . . . . . . 4342 1 1235 . 1 1 104 104 LYS HA H 1 4.07 . . 1 . . . . . . . . 4342 1 1236 . 1 1 104 104 LYS CB C 13 32.8 . . 1 . . . . . . . . 4342 1 1237 . 1 1 104 104 LYS HB2 H 1 1.90 . . 1 . . . . . . . . 4342 1 1238 . 1 1 104 104 LYS HB3 H 1 1.90 . . 1 . . . . . . . . 4342 1 1239 . 1 1 104 104 LYS CG C 13 25.1 . . 1 . . . . . . . . 4342 1 1240 . 1 1 104 104 LYS HG2 H 1 1.44 . . 1 . . . . . . . . 4342 1 1241 . 1 1 104 104 LYS HG3 H 1 1.44 . . 1 . . . . . . . . 4342 1 1242 . 1 1 104 104 LYS CD C 13 29.3 . . 1 . . . . . . . . 4342 1 1243 . 1 1 104 104 LYS HD2 H 1 1.74 . . 2 . . . . . . . . 4342 1 1244 . 1 1 104 104 LYS HD3 H 1 1.60 . . 2 . . . . . . . . 4342 1 1245 . 1 1 104 104 LYS CE C 13 42.0 . . 1 . . . . . . . . 4342 1 1246 . 1 1 104 104 LYS HE2 H 1 3.07 . . 1 . . . . . . . . 4342 1 1247 . 1 1 104 104 LYS HE3 H 1 3.07 . . 1 . . . . . . . . 4342 1 1248 . 1 1 104 104 LYS C C 13 177.4 . . 1 . . . . . . . . 4342 1 1249 . 1 1 105 105 ALA N N 15 122.7 . . 1 . . . . . . . . 4342 1 1250 . 1 1 105 105 ALA H H 1 8.25 . . 1 . . . . . . . . 4342 1 1251 . 1 1 105 105 ALA CA C 13 55.3 . . 1 . . . . . . . . 4342 1 1252 . 1 1 105 105 ALA HA H 1 4.21 . . 1 . . . . . . . . 4342 1 1253 . 1 1 105 105 ALA HB1 H 1 1.62 . . 1 . . . . . . . . 4342 1 1254 . 1 1 105 105 ALA HB2 H 1 1.62 . . 1 . . . . . . . . 4342 1 1255 . 1 1 105 105 ALA HB3 H 1 1.62 . . 1 . . . . . . . . 4342 1 1256 . 1 1 105 105 ALA CB C 13 19.5 . . 1 . . . . . . . . 4342 1 1257 . 1 1 106 106 LEU N N 15 114.4 . . 1 . . . . . . . . 4342 1 1258 . 1 1 106 106 LEU H H 1 8.68 . . 1 . . . . . . . . 4342 1 1259 . 1 1 106 106 LEU CA C 13 54.5 . . 1 . . . . . . . . 4342 1 1260 . 1 1 106 106 LEU HA H 1 4.38 . . 1 . . . . . . . . 4342 1 1261 . 1 1 106 106 LEU CB C 13 41.1 . . 1 . . . . . . . . 4342 1 1262 . 1 1 106 106 LEU HB2 H 1 1.79 . . 2 . . . . . . . . 4342 1 1263 . 1 1 106 106 LEU HB3 H 1 1.52 . . 2 . . . . . . . . 4342 1 1264 . 1 1 106 106 LEU CG C 13 27.5 . . 1 . . . . . . . . 4342 1 1265 . 1 1 106 106 LEU HG H 1 1.75 . . 1 . . . . . . . . 4342 1 1266 . 1 1 106 106 LEU HD11 H 1 0.93 . . 1 . . . . . . . . 4342 1 1267 . 1 1 106 106 LEU HD12 H 1 0.93 . . 1 . . . . . . . . 4342 1 1268 . 1 1 106 106 LEU HD13 H 1 0.93 . . 1 . . . . . . . . 4342 1 1269 . 1 1 106 106 LEU HD21 H 1 0.93 . . 1 . . . . . . . . 4342 1 1270 . 1 1 106 106 LEU HD22 H 1 0.93 . . 1 . . . . . . . . 4342 1 1271 . 1 1 106 106 LEU HD23 H 1 0.93 . . 1 . . . . . . . . 4342 1 1272 . 1 1 106 106 LEU CD1 C 13 22.6 . . 1 . . . . . . . . 4342 1 1273 . 1 1 106 106 LEU CD2 C 13 26.0 . . 1 . . . . . . . . 4342 1 1274 . 1 1 106 106 LEU C C 13 178.7 . . 1 . . . . . . . . 4342 1 1275 . 1 1 107 107 LYS N N 15 117.7 . . 1 . . . . . . . . 4342 1 1276 . 1 1 107 107 LYS H H 1 7.48 . . 1 . . . . . . . . 4342 1 1277 . 1 1 107 107 LYS CA C 13 57.3 . . 1 . . . . . . . . 4342 1 1278 . 1 1 107 107 LYS HA H 1 3.88 . . 1 . . . . . . . . 4342 1 1279 . 1 1 107 107 LYS CB C 13 29.0 . . 1 . . . . . . . . 4342 1 1280 . 1 1 107 107 LYS HB2 H 1 2.05 . . 2 . . . . . . . . 4342 1 1281 . 1 1 107 107 LYS HB3 H 1 1.91 . . 2 . . . . . . . . 4342 1 1282 . 1 1 107 107 LYS CG C 13 24.9 . . 1 . . . . . . . . 4342 1 1283 . 1 1 107 107 LYS HG2 H 1 1.35 . . 1 . . . . . . . . 4342 1 1284 . 1 1 107 107 LYS HG3 H 1 1.35 . . 1 . . . . . . . . 4342 1 1285 . 1 1 107 107 LYS CD C 13 29.4 . . 1 . . . . . . . . 4342 1 1286 . 1 1 107 107 LYS HD2 H 1 1.76 . . 1 . . . . . . . . 4342 1 1287 . 1 1 107 107 LYS HD3 H 1 1.76 . . 1 . . . . . . . . 4342 1 1288 . 1 1 107 107 LYS CE C 13 42.3 . . 1 . . . . . . . . 4342 1 1289 . 1 1 107 107 LYS HE2 H 1 3.10 . . 1 . . . . . . . . 4342 1 1290 . 1 1 107 107 LYS HE3 H 1 3.10 . . 1 . . . . . . . . 4342 1 1291 . 1 1 107 107 LYS C C 13 176.5 . . 1 . . . . . . . . 4342 1 1292 . 1 1 108 108 THR N N 15 116.0 . . 1 . . . . . . . . 4342 1 1293 . 1 1 108 108 THR H H 1 7.36 . . 1 . . . . . . . . 4342 1 1294 . 1 1 108 108 THR CA C 13 61.0 . . 1 . . . . . . . . 4342 1 1295 . 1 1 108 108 THR HA H 1 4.19 . . 1 . . . . . . . . 4342 1 1296 . 1 1 108 108 THR CB C 13 71.3 . . 1 . . . . . . . . 4342 1 1297 . 1 1 108 108 THR HB H 1 3.16 . . 1 . . . . . . . . 4342 1 1298 . 1 1 108 108 THR HG21 H 1 0.08 . . 1 . . . . . . . . 4342 1 1299 . 1 1 108 108 THR HG22 H 1 0.08 . . 1 . . . . . . . . 4342 1 1300 . 1 1 108 108 THR HG23 H 1 0.08 . . 1 . . . . . . . . 4342 1 1301 . 1 1 108 108 THR CG2 C 13 17.5 . . 1 . . . . . . . . 4342 1 1302 . 1 1 108 108 THR C C 13 174.5 . . 1 . . . . . . . . 4342 1 1303 . 1 1 109 109 LYS N N 15 126.0 . . 1 . . . . . . . . 4342 1 1304 . 1 1 109 109 LYS H H 1 7.95 . . 1 . . . . . . . . 4342 1 1305 . 1 1 109 109 LYS CA C 13 57.6 . . 1 . . . . . . . . 4342 1 1306 . 1 1 109 109 LYS HA H 1 4.11 . . 1 . . . . . . . . 4342 1 1307 . 1 1 109 109 LYS CB C 13 32.1 . . 1 . . . . . . . . 4342 1 1308 . 1 1 109 109 LYS HB2 H 1 1.69 . . 1 . . . . . . . . 4342 1 1309 . 1 1 109 109 LYS HB3 H 1 1.69 . . 1 . . . . . . . . 4342 1 1310 . 1 1 109 109 LYS CG C 13 24.8 . . 1 . . . . . . . . 4342 1 1311 . 1 1 109 109 LYS HG2 H 1 1.15 . . 1 . . . . . . . . 4342 1 1312 . 1 1 109 109 LYS HG3 H 1 1.15 . . 1 . . . . . . . . 4342 1 1313 . 1 1 109 109 LYS CD C 13 29.2 . . 1 . . . . . . . . 4342 1 1314 . 1 1 109 109 LYS HD2 H 1 1.34 . . 1 . . . . . . . . 4342 1 1315 . 1 1 109 109 LYS HD3 H 1 1.34 . . 1 . . . . . . . . 4342 1 1316 . 1 1 109 109 LYS CE C 13 42.1 . . 1 . . . . . . . . 4342 1 1317 . 1 1 109 109 LYS HE2 H 1 2.94 . . 1 . . . . . . . . 4342 1 1318 . 1 1 109 109 LYS HE3 H 1 2.94 . . 1 . . . . . . . . 4342 1 1319 . 1 1 109 109 LYS C C 13 170.6 . . 1 . . . . . . . . 4342 1 1320 . 1 1 110 110 LEU N N 15 132.7 . . 1 . . . . . . . . 4342 1 1321 . 1 1 110 110 LEU H H 1 8.08 . . 1 . . . . . . . . 4342 1 1322 . 1 1 110 110 LEU CA C 13 53.9 . . 1 . . . . . . . . 4342 1 1323 . 1 1 110 110 LEU HA H 1 4.66 . . 1 . . . . . . . . 4342 1 1324 . 1 1 110 110 LEU CB C 13 45.7 . . 1 . . . . . . . . 4342 1 1325 . 1 1 110 110 LEU HB2 H 1 1.52 . . 2 . . . . . . . . 4342 1 1326 . 1 1 110 110 LEU HB3 H 1 1.24 . . 2 . . . . . . . . 4342 1 1327 . 1 1 110 110 LEU CG C 13 27.4 . . 1 . . . . . . . . 4342 1 1328 . 1 1 110 110 LEU HG H 1 0.80 . . 1 . . . . . . . . 4342 1 1329 . 1 1 110 110 LEU HD11 H 1 0.85 . . 1 . . . . . . . . 4342 1 1330 . 1 1 110 110 LEU HD12 H 1 0.85 . . 1 . . . . . . . . 4342 1 1331 . 1 1 110 110 LEU HD13 H 1 0.85 . . 1 . . . . . . . . 4342 1 1332 . 1 1 110 110 LEU HD21 H 1 0.85 . . 1 . . . . . . . . 4342 1 1333 . 1 1 110 110 LEU HD22 H 1 0.85 . . 1 . . . . . . . . 4342 1 1334 . 1 1 110 110 LEU HD23 H 1 0.85 . . 1 . . . . . . . . 4342 1 1335 . 1 1 110 110 LEU CD1 C 13 23.9 . . 1 . . . . . . . . 4342 1 1336 . 1 1 110 110 LEU CD2 C 13 23.9 . . 1 . . . . . . . . 4342 1 1337 . 1 1 110 110 LEU C C 13 175.8 . . 1 . . . . . . . . 4342 1 1338 . 1 1 111 111 ASP N N 15 121.3 . . 1 . . . . . . . . 4342 1 1339 . 1 1 111 111 ASP H H 1 8.29 . . 1 . . . . . . . . 4342 1 1340 . 1 1 111 111 ASP CA C 13 53.8 . . 1 . . . . . . . . 4342 1 1341 . 1 1 111 111 ASP HA H 1 4.60 . . 1 . . . . . . . . 4342 1 1342 . 1 1 111 111 ASP CB C 13 43.6 . . 1 . . . . . . . . 4342 1 1343 . 1 1 111 111 ASP HB2 H 1 2.72 . . 2 . . . . . . . . 4342 1 1344 . 1 1 111 111 ASP HB3 H 1 2.43 . . 2 . . . . . . . . 4342 1 1345 . 1 1 111 111 ASP C C 13 174.5 . . 1 . . . . . . . . 4342 1 1346 . 1 1 112 112 LEU N N 15 131.0 . . 1 . . . . . . . . 4342 1 1347 . 1 1 112 112 LEU H H 1 8.12 . . 1 . . . . . . . . 4342 1 1348 . 1 1 112 112 LEU CA C 13 56.5 . . 1 . . . . . . . . 4342 1 1349 . 1 1 112 112 LEU HA H 1 4.20 . . 1 . . . . . . . . 4342 1 1350 . 1 1 112 112 LEU CB C 13 41.3 . . 1 . . . . . . . . 4342 1 1351 . 1 1 112 112 LEU HB2 H 1 2.04 . . 2 . . . . . . . . 4342 1 1352 . 1 1 112 112 LEU HB3 H 1 1.20 . . 2 . . . . . . . . 4342 1 1353 . 1 1 112 112 LEU CG C 13 30.6 . . 1 . . . . . . . . 4342 1 1354 . 1 1 112 112 LEU HG H 1 0.31 . . 1 . . . . . . . . 4342 1 1355 . 1 1 112 112 LEU HD11 H 1 0.41 . . 2 . . . . . . . . 4342 1 1356 . 1 1 112 112 LEU HD12 H 1 0.41 . . 2 . . . . . . . . 4342 1 1357 . 1 1 112 112 LEU HD13 H 1 0.41 . . 2 . . . . . . . . 4342 1 1358 . 1 1 112 112 LEU HD21 H 1 0.20 . . 2 . . . . . . . . 4342 1 1359 . 1 1 112 112 LEU HD22 H 1 0.20 . . 2 . . . . . . . . 4342 1 1360 . 1 1 112 112 LEU HD23 H 1 0.20 . . 2 . . . . . . . . 4342 1 1361 . 1 1 112 112 LEU CD1 C 13 24.8 . . 1 . . . . . . . . 4342 1 1362 . 1 1 112 112 LEU CD2 C 13 27.4 . . 1 . . . . . . . . 4342 1 1363 . 1 1 112 112 LEU C C 13 175.2 . . 1 . . . . . . . . 4342 1 1364 . 1 1 113 113 SER N N 15 116.6 . . 1 . . . . . . . . 4342 1 1365 . 1 1 113 113 SER H H 1 8.35 . . 1 . . . . . . . . 4342 1 1366 . 1 1 113 113 SER CA C 13 62.2 . . 1 . . . . . . . . 4342 1 1367 . 1 1 113 113 SER HA H 1 3.84 . . 1 . . . . . . . . 4342 1 1368 . 1 1 113 113 SER CB C 13 63.3 . . 1 . . . . . . . . 4342 1 1369 . 1 1 113 113 SER HB2 H 1 3.81 . . 1 . . . . . . . . 4342 1 1370 . 1 1 113 113 SER HB3 H 1 3.81 . . 1 . . . . . . . . 4342 1 1371 . 1 1 114 114 SER N N 15 118.3 . . 1 . . . . . . . . 4342 1 1372 . 1 1 114 114 SER H H 1 8.28 . . 1 . . . . . . . . 4342 1 1373 . 1 1 114 114 SER CA C 13 58.9 . . 1 . . . . . . . . 4342 1 1374 . 1 1 114 114 SER HA H 1 4.32 . . 1 . . . . . . . . 4342 1 1375 . 1 1 114 114 SER CB C 13 63.2 . . 1 . . . . . . . . 4342 1 1376 . 1 1 114 114 SER HB2 H 1 3.88 . . 2 . . . . . . . . 4342 1 1377 . 1 1 114 114 SER HB3 H 1 3.80 . . 2 . . . . . . . . 4342 1 1378 . 1 1 115 115 LEU N N 15 124.1 . . 1 . . . . . . . . 4342 1 1379 . 1 1 115 115 LEU H H 1 7.03 . . 1 . . . . . . . . 4342 1 1380 . 1 1 115 115 LEU CA C 13 55.0 . . 1 . . . . . . . . 4342 1 1381 . 1 1 115 115 LEU HA H 1 4.06 . . 1 . . . . . . . . 4342 1 1382 . 1 1 115 115 LEU CB C 13 41.1 . . 1 . . . . . . . . 4342 1 1383 . 1 1 115 115 LEU HB2 H 1 2.00 . . 2 . . . . . . . . 4342 1 1384 . 1 1 115 115 LEU HB3 H 1 1.59 . . 2 . . . . . . . . 4342 1 1385 . 1 1 115 115 LEU CG C 13 27.9 . . 1 . . . . . . . . 4342 1 1386 . 1 1 115 115 LEU HG H 1 1.59 . . 1 . . . . . . . . 4342 1 1387 . 1 1 115 115 LEU HD11 H 1 0.75 . . 2 . . . . . . . . 4342 1 1388 . 1 1 115 115 LEU HD12 H 1 0.75 . . 2 . . . . . . . . 4342 1 1389 . 1 1 115 115 LEU HD13 H 1 0.75 . . 2 . . . . . . . . 4342 1 1390 . 1 1 115 115 LEU HD21 H 1 0.56 . . 2 . . . . . . . . 4342 1 1391 . 1 1 115 115 LEU HD22 H 1 0.56 . . 2 . . . . . . . . 4342 1 1392 . 1 1 115 115 LEU HD23 H 1 0.56 . . 2 . . . . . . . . 4342 1 1393 . 1 1 115 115 LEU CD1 C 13 22.5 . . 1 . . . . . . . . 4342 1 1394 . 1 1 115 115 LEU CD2 C 13 25.6 . . 1 . . . . . . . . 4342 1 1395 . 1 1 115 115 LEU C C 13 173.8 . . 1 . . . . . . . . 4342 1 1396 . 1 1 116 116 ALA N N 15 124.1 . . 1 . . . . . . . . 4342 1 1397 . 1 1 116 116 ALA H H 1 7.98 . . 1 . . . . . . . . 4342 1 1398 . 1 1 116 116 ALA CA C 13 53.2 . . 1 . . . . . . . . 4342 1 1399 . 1 1 116 116 ALA HA H 1 3.84 . . 1 . . . . . . . . 4342 1 1400 . 1 1 116 116 ALA HB1 H 1 1.25 . . 1 . . . . . . . . 4342 1 1401 . 1 1 116 116 ALA HB2 H 1 1.25 . . 1 . . . . . . . . 4342 1 1402 . 1 1 116 116 ALA HB3 H 1 1.25 . . 1 . . . . . . . . 4342 1 1403 . 1 1 116 116 ALA CB C 13 19.4 . . 1 . . . . . . . . 4342 1 1404 . 1 1 117 117 TYR N N 15 115.8 . . 1 . . . . . . . . 4342 1 1405 . 1 1 117 117 TYR H H 1 8.44 . . 1 . . . . . . . . 4342 1 1406 . 1 1 117 117 TYR CA C 13 59.9 . . 1 . . . . . . . . 4342 1 1407 . 1 1 117 117 TYR HA H 1 4.14 . . 1 . . . . . . . . 4342 1 1408 . 1 1 117 117 TYR CB C 13 34.4 . . 1 . . . . . . . . 4342 1 1409 . 1 1 117 117 TYR HB2 H 1 3.58 . . 1 . . . . . . . . 4342 1 1410 . 1 1 117 117 TYR HB3 H 1 3.58 . . 1 . . . . . . . . 4342 1 1411 . 1 1 117 117 TYR HD1 H 1 7.23 . . 1 . . . . . . . . 4342 1 1412 . 1 1 117 117 TYR HD2 H 1 7.23 . . 1 . . . . . . . . 4342 1 1413 . 1 1 117 117 TYR HE1 H 1 6.96 . . 1 . . . . . . . . 4342 1 1414 . 1 1 117 117 TYR HE2 H 1 6.96 . . 1 . . . . . . . . 4342 1 1415 . 1 1 117 117 TYR CD1 C 13 132.3 . . 1 . . . . . . . . 4342 1 1416 . 1 1 117 117 TYR CE1 C 13 116.7 . . 1 . . . . . . . . 4342 1 1417 . 1 1 117 117 TYR C C 13 177.9 . . 1 . . . . . . . . 4342 1 1418 . 1 1 118 118 SER N N 15 113.0 . . 1 . . . . . . . . 4342 1 1419 . 1 1 118 118 SER H H 1 7.50 . . 1 . . . . . . . . 4342 1 1420 . 1 1 118 118 SER CA C 13 59.2 . . 1 . . . . . . . . 4342 1 1421 . 1 1 118 118 SER HA H 1 3.39 . . 1 . . . . . . . . 4342 1 1422 . 1 1 118 118 SER CB C 13 63.3 . . 1 . . . . . . . . 4342 1 1423 . 1 1 118 118 SER HB2 H 1 3.49 . . 2 . . . . . . . . 4342 1 1424 . 1 1 118 118 SER HB3 H 1 3.26 . . 2 . . . . . . . . 4342 1 1425 . 1 1 118 118 SER C C 13 175.0 . . 1 . . . . . . . . 4342 1 1426 . 1 1 119 119 GLY N N 15 114.1 . . 1 . . . . . . . . 4342 1 1427 . 1 1 119 119 GLY H H 1 8.87 . . 1 . . . . . . . . 4342 1 1428 . 1 1 119 119 GLY CA C 13 45.6 . . 1 . . . . . . . . 4342 1 1429 . 1 1 119 119 GLY HA2 H 1 4.10 . . 2 . . . . . . . . 4342 1 1430 . 1 1 119 119 GLY HA3 H 1 3.49 . . 2 . . . . . . . . 4342 1 1431 . 1 1 119 119 GLY C C 13 177.3 . . 1 . . . . . . . . 4342 1 1432 . 1 1 120 120 LYS N N 15 124.2 . . 1 . . . . . . . . 4342 1 1433 . 1 1 120 120 LYS H H 1 7.97 . . 1 . . . . . . . . 4342 1 1434 . 1 1 120 120 LYS CA C 13 56.1 . . 1 . . . . . . . . 4342 1 1435 . 1 1 120 120 LYS HA H 1 4.26 . . 1 . . . . . . . . 4342 1 1436 . 1 1 120 120 LYS CB C 13 32.8 . . 1 . . . . . . . . 4342 1 1437 . 1 1 120 120 LYS HB2 H 1 1.78 . . 2 . . . . . . . . 4342 1 1438 . 1 1 120 120 LYS HB3 H 1 1.67 . . 2 . . . . . . . . 4342 1 1439 . 1 1 120 120 LYS CG C 13 24.1 . . 1 . . . . . . . . 4342 1 1440 . 1 1 120 120 LYS HG2 H 1 1.35 . . 1 . . . . . . . . 4342 1 1441 . 1 1 120 120 LYS HG3 H 1 1.35 . . 1 . . . . . . . . 4342 1 1442 . 1 1 120 120 LYS CD C 13 28.7 . . 1 . . . . . . . . 4342 1 1443 . 1 1 120 120 LYS HD2 H 1 1.58 . . 1 . . . . . . . . 4342 1 1444 . 1 1 120 120 LYS HD3 H 1 1.58 . . 1 . . . . . . . . 4342 1 1445 . 1 1 120 120 LYS CE C 13 41.9 . . 1 . . . . . . . . 4342 1 1446 . 1 1 120 120 LYS HE2 H 1 2.93 . . 1 . . . . . . . . 4342 1 1447 . 1 1 120 120 LYS HE3 H 1 2.93 . . 1 . . . . . . . . 4342 1 1448 . 1 1 121 121 ASP N N 15 125.2 . . 1 . . . . . . . . 4342 1 1449 . 1 1 121 121 ASP H H 1 8.57 . . 1 . . . . . . . . 4342 1 1450 . 1 1 121 121 ASP CA C 13 54.5 . . 1 . . . . . . . . 4342 1 1451 . 1 1 121 121 ASP HA H 1 4.50 . . 1 . . . . . . . . 4342 1 1452 . 1 1 121 121 ASP CB C 13 41.0 . . 1 . . . . . . . . 4342 1 1453 . 1 1 121 121 ASP HB2 H 1 2.70 . . 2 . . . . . . . . 4342 1 1454 . 1 1 121 121 ASP HB3 H 1 2.51 . . 2 . . . . . . . . 4342 1 1455 . 1 1 122 122 ALA N N 15 131.6 . . 1 . . . . . . . . 4342 1 1456 . 1 1 122 122 ALA H H 1 7.73 . . 1 . . . . . . . . 4342 1 1457 . 1 1 122 122 ALA CA C 13 53.8 . . 1 . . . . . . . . 4342 1 1458 . 1 1 122 122 ALA HA H 1 4.07 . . 1 . . . . . . . . 4342 1 1459 . 1 1 122 122 ALA HB1 H 1 1.25 . . 1 . . . . . . . . 4342 1 1460 . 1 1 122 122 ALA HB2 H 1 1.25 . . 1 . . . . . . . . 4342 1 1461 . 1 1 122 122 ALA HB3 H 1 1.25 . . 1 . . . . . . . . 4342 1 1462 . 1 1 122 122 ALA CB C 13 20.7 . . 1 . . . . . . . . 4342 1 1463 . 1 1 122 122 ALA C C 13 174.5 . . 1 . . . . . . . . 4342 1 stop_ save_