data_6141 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 6141 _Entry.Title ; Backbone 1H, 13C, and 15N Chemical Shift Assignments for Cyclophilin D ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2004-03-02 _Entry.Accession_date 2004-03-16 _Entry.Last_release_date 2007-08-28 _Entry.Original_release_date 2007-08-28 _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 Bernd Hoffmann . . . 6141 2 Georg Kontaxis . . . 6141 3 Simon Ruedisser . . . 6141 4 Ulrich Hommel . . . 6141 5 Robert Konrat . . . 6141 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 6141 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 151 6141 '13C chemical shifts' 394 6141 '15N chemical shifts' 152 6141 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 . . 2007-08-28 2004-03-02 original author . 6141 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 6141 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 17530183 _Citation.Full_citation . _Citation.Title 'Automated backbone and side-chain assignment of mitochondrial matrix cyclophilin D.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 38 _Citation.Journal_issue 3 _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 267 _Citation.Page_last 267 _Citation.Year 2007 _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 A. Schedlbauer . . . 6141 1 2 Bernd Hoffmann . . . 6141 1 3 Georg Kontaxis . . . 6141 1 4 Simon Ruedisser . . . 6141 1 5 Ulrich Hommel . . . 6141 1 6 Robert Konrat . . . 6141 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'Cyclophilin D' 6141 1 'automated NMR signal assignment' 6141 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_molecular_system _Assembly.Sf_category assembly _Assembly.Sf_framecode molecular_system _Assembly.Entry_ID 6141 _Assembly.ID 1 _Assembly.Name CypD _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 reported' _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 6141 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 'Cyclophilin D' 1 $CypD . . . native . . . . . 6141 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID CypD system 6141 1 CypD abbreviation 6141 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_CypD _Entity.Sf_category entity _Entity.Sf_framecode CypD _Entity.Entry_ID 6141 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Cyclophilin D' _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 ; MQNPLVYLDVGADGQPLGRV VLELKADVVPKTAENFRALC TGEKGFGYKGSTFHRVIPAF MCQAGDFTNHNGTGGKSIYG SRFPDENFTLKHVGPGVLSM ANAGPNTNGSQFFICTIKTD WLDGKHVVFGHVKEGMDVVK KIESFGSKSGKTSKKIVITD CGQLS ; _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 165 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'not reported' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details ; Mitochondrial matrix CypD is involved in opening of the mitochondrialpermeability transition pore ; _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 25340 . CypD . . . . . 98.79 166 96.93 99.39 7.12e-112 . . . . 6141 1 2 no BMRB 7310 . cycD . . . . . 100.00 165 100.00 100.00 5.31e-117 . . . . 6141 1 3 no PDB 4TOT . "Crystal Structure Of Rat Cyclophilin D In Complex With A Potent Nonimmunosuppressive Inhibitor" . . . . . 99.39 165 99.39 99.39 4.26e-115 . . . . 6141 1 4 no DBJ BAI47316 . "peptidylprolyl isomerase F [synthetic construct]" . . . . . 98.79 207 96.93 99.39 1.11e-111 . . . . 6141 1 5 no GB AAA58434 . "cyclophilin 3 protein [Homo sapiens]" . . . . . 98.79 207 96.93 99.39 1.11e-111 . . . . 6141 1 6 no GB AAB08453 . "cyclophilin D [Rattus norvegicus]" . . . . . 99.39 206 100.00 100.00 3.53e-116 . . . . 6141 1 7 no GB AAF71354 . "cyclophilin [Macaca mulatta]" . . . . . 91.52 158 98.01 99.34 3.74e-104 . . . . 6141 1 8 no GB AAH04041 . "Peptidylprolyl isomerase F (cyclophilin F) [Mus musculus]" . . . . . 98.79 206 99.39 100.00 5.41e-115 . . . . 6141 1 9 no GB AAH05020 . "Peptidylprolyl isomerase F [Homo sapiens]" . . . . . 98.79 207 96.93 99.39 1.11e-111 . . . . 6141 1 10 no REF NP_001001597 . "peptidyl-prolyl cis-trans isomerase F, mitochondrial precursor [Bos taurus]" . . . . . 92.73 209 98.04 98.69 4.11e-105 . . . . 6141 1 11 no REF NP_001253053 . "peptidyl-prolyl cis-trans isomerase F, mitochondrial [Macaca mulatta]" . . . . . 98.79 207 99.39 100.00 1.67e-114 . . . . 6141 1 12 no REF NP_005720 . "peptidyl-prolyl cis-trans isomerase F, mitochondrial precursor [Homo sapiens]" . . . . . 98.79 207 96.93 99.39 1.11e-111 . . . . 6141 1 13 no REF NP_598845 . "peptidyl-prolyl cis-trans isomerase F, mitochondrial precursor [Mus musculus]" . . . . . 98.79 206 99.39 100.00 5.41e-115 . . . . 6141 1 14 no REF NP_758443 . "peptidyl-prolyl cis-trans isomerase F, mitochondrial precursor [Rattus norvegicus]" . . . . . 99.39 206 100.00 100.00 3.53e-116 . . . . 6141 1 15 no SP P29117 . "RecName: Full=Peptidyl-prolyl cis-trans isomerase F, mitochondrial; Short=PPIase F; AltName: Full=Cyclophilin D; Short=CyP-D; S" . . . . . 99.39 206 100.00 100.00 3.53e-116 . . . . 6141 1 16 no SP P30404 . "RecName: Full=Peptidyl-prolyl cis-trans isomerase F, mitochondrial; Short=PPIase F; AltName: Full=Cyclophilin D; Short=CyP-D; S" . . . . . 98.79 208 98.16 98.77 5.70e-113 . . . . 6141 1 17 no SP P30405 . "RecName: Full=Peptidyl-prolyl cis-trans isomerase F, mitochondrial; Short=PPIase F; AltName: Full=Cyclophilin D; Short=CyP-D; S" . . . . . 98.79 207 96.93 99.39 1.11e-111 . . . . 6141 1 18 no SP Q99KR7 . "RecName: Full=Peptidyl-prolyl cis-trans isomerase F, mitochondrial; Short=PPIase F; AltName: Full=Cyclophilin D; Short=CyP-D; S" . . . . . 98.79 206 99.39 100.00 5.41e-115 . . . . 6141 1 19 no TPG DAA14226 . "TPA: peptidylprolyl isomerase F precursor [Bos taurus]" . . . . . 92.73 208 98.04 98.69 4.83e-105 . . . . 6141 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'Cyclophilin D' common 6141 1 'Cyclophilin D' abbreviation 6141 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 1 MET . 6141 1 2 2 GLN . 6141 1 3 3 ASN . 6141 1 4 4 PRO . 6141 1 5 5 LEU . 6141 1 6 6 VAL . 6141 1 7 7 TYR . 6141 1 8 8 LEU . 6141 1 9 9 ASP . 6141 1 10 10 VAL . 6141 1 11 11 GLY . 6141 1 12 12 ALA . 6141 1 13 13 ASP . 6141 1 14 14 GLY . 6141 1 15 15 GLN . 6141 1 16 16 PRO . 6141 1 17 17 LEU . 6141 1 18 18 GLY . 6141 1 19 19 ARG . 6141 1 20 20 VAL . 6141 1 21 21 VAL . 6141 1 22 22 LEU . 6141 1 23 23 GLU . 6141 1 24 24 LEU . 6141 1 25 25 LYS . 6141 1 26 26 ALA . 6141 1 27 27 ASP . 6141 1 28 28 VAL . 6141 1 29 29 VAL . 6141 1 30 30 PRO . 6141 1 31 31 LYS . 6141 1 32 32 THR . 6141 1 33 33 ALA . 6141 1 34 34 GLU . 6141 1 35 35 ASN . 6141 1 36 36 PHE . 6141 1 37 37 ARG . 6141 1 38 38 ALA . 6141 1 39 39 LEU . 6141 1 40 40 CYS . 6141 1 41 41 THR . 6141 1 42 42 GLY . 6141 1 43 43 GLU . 6141 1 44 44 LYS . 6141 1 45 45 GLY . 6141 1 46 46 PHE . 6141 1 47 47 GLY . 6141 1 48 48 TYR . 6141 1 49 49 LYS . 6141 1 50 50 GLY . 6141 1 51 51 SER . 6141 1 52 52 THR . 6141 1 53 53 PHE . 6141 1 54 54 HIS . 6141 1 55 55 ARG . 6141 1 56 56 VAL . 6141 1 57 57 ILE . 6141 1 58 58 PRO . 6141 1 59 59 ALA . 6141 1 60 60 PHE . 6141 1 61 61 MET . 6141 1 62 62 CYS . 6141 1 63 63 GLN . 6141 1 64 64 ALA . 6141 1 65 65 GLY . 6141 1 66 66 ASP . 6141 1 67 67 PHE . 6141 1 68 68 THR . 6141 1 69 69 ASN . 6141 1 70 70 HIS . 6141 1 71 71 ASN . 6141 1 72 72 GLY . 6141 1 73 73 THR . 6141 1 74 74 GLY . 6141 1 75 75 GLY . 6141 1 76 76 LYS . 6141 1 77 77 SER . 6141 1 78 78 ILE . 6141 1 79 79 TYR . 6141 1 80 80 GLY . 6141 1 81 81 SER . 6141 1 82 82 ARG . 6141 1 83 83 PHE . 6141 1 84 84 PRO . 6141 1 85 85 ASP . 6141 1 86 86 GLU . 6141 1 87 87 ASN . 6141 1 88 88 PHE . 6141 1 89 89 THR . 6141 1 90 90 LEU . 6141 1 91 91 LYS . 6141 1 92 92 HIS . 6141 1 93 93 VAL . 6141 1 94 94 GLY . 6141 1 95 95 PRO . 6141 1 96 96 GLY . 6141 1 97 97 VAL . 6141 1 98 98 LEU . 6141 1 99 99 SER . 6141 1 100 100 MET . 6141 1 101 101 ALA . 6141 1 102 102 ASN . 6141 1 103 103 ALA . 6141 1 104 104 GLY . 6141 1 105 105 PRO . 6141 1 106 106 ASN . 6141 1 107 107 THR . 6141 1 108 108 ASN . 6141 1 109 109 GLY . 6141 1 110 110 SER . 6141 1 111 111 GLN . 6141 1 112 112 PHE . 6141 1 113 113 PHE . 6141 1 114 114 ILE . 6141 1 115 115 CYS . 6141 1 116 116 THR . 6141 1 117 117 ILE . 6141 1 118 118 LYS . 6141 1 119 119 THR . 6141 1 120 120 ASP . 6141 1 121 121 TRP . 6141 1 122 122 LEU . 6141 1 123 123 ASP . 6141 1 124 124 GLY . 6141 1 125 125 LYS . 6141 1 126 126 HIS . 6141 1 127 127 VAL . 6141 1 128 128 VAL . 6141 1 129 129 PHE . 6141 1 130 130 GLY . 6141 1 131 131 HIS . 6141 1 132 132 VAL . 6141 1 133 133 LYS . 6141 1 134 134 GLU . 6141 1 135 135 GLY . 6141 1 136 136 MET . 6141 1 137 137 ASP . 6141 1 138 138 VAL . 6141 1 139 139 VAL . 6141 1 140 140 LYS . 6141 1 141 141 LYS . 6141 1 142 142 ILE . 6141 1 143 143 GLU . 6141 1 144 144 SER . 6141 1 145 145 PHE . 6141 1 146 146 GLY . 6141 1 147 147 SER . 6141 1 148 148 LYS . 6141 1 149 149 SER . 6141 1 150 150 GLY . 6141 1 151 151 LYS . 6141 1 152 152 THR . 6141 1 153 153 SER . 6141 1 154 154 LYS . 6141 1 155 155 LYS . 6141 1 156 156 ILE . 6141 1 157 157 VAL . 6141 1 158 158 ILE . 6141 1 159 159 THR . 6141 1 160 160 ASP . 6141 1 161 161 CYS . 6141 1 162 162 GLY . 6141 1 163 163 GLN . 6141 1 164 164 LEU . 6141 1 165 165 SER . 6141 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 6141 1 . GLN 2 2 6141 1 . ASN 3 3 6141 1 . PRO 4 4 6141 1 . LEU 5 5 6141 1 . VAL 6 6 6141 1 . TYR 7 7 6141 1 . LEU 8 8 6141 1 . ASP 9 9 6141 1 . VAL 10 10 6141 1 . GLY 11 11 6141 1 . ALA 12 12 6141 1 . ASP 13 13 6141 1 . GLY 14 14 6141 1 . GLN 15 15 6141 1 . PRO 16 16 6141 1 . LEU 17 17 6141 1 . GLY 18 18 6141 1 . ARG 19 19 6141 1 . VAL 20 20 6141 1 . VAL 21 21 6141 1 . LEU 22 22 6141 1 . GLU 23 23 6141 1 . LEU 24 24 6141 1 . LYS 25 25 6141 1 . ALA 26 26 6141 1 . ASP 27 27 6141 1 . VAL 28 28 6141 1 . VAL 29 29 6141 1 . PRO 30 30 6141 1 . LYS 31 31 6141 1 . THR 32 32 6141 1 . ALA 33 33 6141 1 . GLU 34 34 6141 1 . ASN 35 35 6141 1 . PHE 36 36 6141 1 . ARG 37 37 6141 1 . ALA 38 38 6141 1 . LEU 39 39 6141 1 . CYS 40 40 6141 1 . THR 41 41 6141 1 . GLY 42 42 6141 1 . GLU 43 43 6141 1 . LYS 44 44 6141 1 . GLY 45 45 6141 1 . PHE 46 46 6141 1 . GLY 47 47 6141 1 . TYR 48 48 6141 1 . LYS 49 49 6141 1 . GLY 50 50 6141 1 . SER 51 51 6141 1 . THR 52 52 6141 1 . PHE 53 53 6141 1 . HIS 54 54 6141 1 . ARG 55 55 6141 1 . VAL 56 56 6141 1 . ILE 57 57 6141 1 . PRO 58 58 6141 1 . ALA 59 59 6141 1 . PHE 60 60 6141 1 . MET 61 61 6141 1 . CYS 62 62 6141 1 . GLN 63 63 6141 1 . ALA 64 64 6141 1 . GLY 65 65 6141 1 . ASP 66 66 6141 1 . PHE 67 67 6141 1 . THR 68 68 6141 1 . ASN 69 69 6141 1 . HIS 70 70 6141 1 . ASN 71 71 6141 1 . GLY 72 72 6141 1 . THR 73 73 6141 1 . GLY 74 74 6141 1 . GLY 75 75 6141 1 . LYS 76 76 6141 1 . SER 77 77 6141 1 . ILE 78 78 6141 1 . TYR 79 79 6141 1 . GLY 80 80 6141 1 . SER 81 81 6141 1 . ARG 82 82 6141 1 . PHE 83 83 6141 1 . PRO 84 84 6141 1 . ASP 85 85 6141 1 . GLU 86 86 6141 1 . ASN 87 87 6141 1 . PHE 88 88 6141 1 . THR 89 89 6141 1 . LEU 90 90 6141 1 . LYS 91 91 6141 1 . HIS 92 92 6141 1 . VAL 93 93 6141 1 . GLY 94 94 6141 1 . PRO 95 95 6141 1 . GLY 96 96 6141 1 . VAL 97 97 6141 1 . LEU 98 98 6141 1 . SER 99 99 6141 1 . MET 100 100 6141 1 . ALA 101 101 6141 1 . ASN 102 102 6141 1 . ALA 103 103 6141 1 . GLY 104 104 6141 1 . PRO 105 105 6141 1 . ASN 106 106 6141 1 . THR 107 107 6141 1 . ASN 108 108 6141 1 . GLY 109 109 6141 1 . SER 110 110 6141 1 . GLN 111 111 6141 1 . PHE 112 112 6141 1 . PHE 113 113 6141 1 . ILE 114 114 6141 1 . CYS 115 115 6141 1 . THR 116 116 6141 1 . ILE 117 117 6141 1 . LYS 118 118 6141 1 . THR 119 119 6141 1 . ASP 120 120 6141 1 . TRP 121 121 6141 1 . LEU 122 122 6141 1 . ASP 123 123 6141 1 . GLY 124 124 6141 1 . LYS 125 125 6141 1 . HIS 126 126 6141 1 . VAL 127 127 6141 1 . VAL 128 128 6141 1 . PHE 129 129 6141 1 . GLY 130 130 6141 1 . HIS 131 131 6141 1 . VAL 132 132 6141 1 . LYS 133 133 6141 1 . GLU 134 134 6141 1 . GLY 135 135 6141 1 . MET 136 136 6141 1 . ASP 137 137 6141 1 . VAL 138 138 6141 1 . VAL 139 139 6141 1 . LYS 140 140 6141 1 . LYS 141 141 6141 1 . ILE 142 142 6141 1 . GLU 143 143 6141 1 . SER 144 144 6141 1 . PHE 145 145 6141 1 . GLY 146 146 6141 1 . SER 147 147 6141 1 . LYS 148 148 6141 1 . SER 149 149 6141 1 . GLY 150 150 6141 1 . LYS 151 151 6141 1 . THR 152 152 6141 1 . SER 153 153 6141 1 . LYS 154 154 6141 1 . LYS 155 155 6141 1 . ILE 156 156 6141 1 . VAL 157 157 6141 1 . ILE 158 158 6141 1 . THR 159 159 6141 1 . ASP 160 160 6141 1 . CYS 161 161 6141 1 . GLY 162 162 6141 1 . GLN 163 163 6141 1 . LEU 164 164 6141 1 . SER 165 165 6141 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 6141 _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 $CypD . 10116 organism . 'Rattus norvegicus' rat . . Eukaryota Metazoa Rattus norvegicus . . . . . . . . . . . . . . . . . . . . . 6141 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 6141 _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 $CypD . 'recombinant technology' 'Escherichia coli' 'E. coli' . . Escherichia coli . . . . . . . . . . . . . . . . . . . . . . . 6141 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample _Sample.Sf_category sample _Sample.Sf_framecode sample _Sample.Entry_ID 6141 _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 'Cyclophilin D' '[U-13C; U-15N]' . . 1 $CypD . . 1 . . mM . . . . 6141 1 2 'sodium phosphate' . . . . . . . 50 . . mM . . . . 6141 1 stop_ save_ ####################### # Sample conditions # ####################### save_Conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode Conditions_1 _Sample_condition_list.Entry_ID 6141 _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 . . . 6141 1 temperature . . . 6141 1 stop_ save_ ############################ # Computer software used # ############################ save_nmrDraw _Software.Sf_category software _Software.Sf_framecode nmrDraw _Software.Entry_ID 6141 _Software.ID 1 _Software.Name nmrDraw _Software.Version 2.2 _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'spectrum transformation' 6141 1 stop_ save_ save_nmrview _Software.Sf_category software _Software.Sf_framecode nmrview _Software.Entry_ID 6141 _Software.ID 2 _Software.Name nmrview _Software.Version 5.0.4 _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'signal assignment' 6141 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer _NMR_spectrometer.Entry_ID 6141 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer VARIAN _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 6141 _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 VARIAN INOVA . 800 . . . 6141 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 6141 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 . . . . . . . . . . . . 1 $sample . . . 1 $Conditions_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 6141 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 6141 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 water 'methyl protons' . . . . ppm 4.733 external direct 1.00000 . . . 1 $entry_citation . . 1 $entry_citation 6141 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 6141 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $Conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_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 . 6141 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 MET N N 15 122.582 . . 1 . . . . . . . . 6141 1 2 . 1 1 1 1 MET CA C 13 55.151 . . 1 . . . . . . . . 6141 1 3 . 1 1 1 1 MET CB C 13 32.944 . . . . . . . . . . . 6141 1 4 . 1 1 1 1 MET CG C 13 31.054 . . . . . . . . . . . 6141 1 5 . 1 1 2 2 GLN H H 1 8.396 . . 1 . . . . . . . . 6141 1 6 . 1 1 2 2 GLN N N 15 122.202 . . 1 . . . . . . . . 6141 1 7 . 1 1 2 2 GLN CA C 13 55.179 . . 1 . . . . . . . . 6141 1 8 . 1 1 2 2 GLN CB C 13 29.986 . . . . . . . . . . . 6141 1 9 . 1 1 2 2 GLN CG C 13 32.956 . . . . . . . . . . . 6141 1 10 . 1 1 3 3 ASN H H 1 8.634 . . 1 . . . . . . . . 6141 1 11 . 1 1 3 3 ASN N N 15 124.618 . . 1 . . . . . . . . 6141 1 12 . 1 1 3 3 ASN CA C 13 51.259 . . 1 . . . . . . . . 6141 1 13 . 1 1 3 3 ASN CB C 13 37.889 . . . . . . . . . . . 6141 1 14 . 1 1 5 5 LEU H H 1 8.491 . . 1 . . . . . . . . 6141 1 15 . 1 1 5 5 LEU N N 15 121.149 . . 1 . . . . . . . . 6141 1 16 . 1 1 5 5 LEU CA C 13 53.193 . . 1 . . . . . . . . 6141 1 17 . 1 1 5 5 LEU CB C 13 44.930 . . . . . . . . . . . 6141 1 18 . 1 1 5 5 LEU CD1 C 13 23.877 . . . . . . . . . . . 6141 1 19 . 1 1 6 6 VAL H H 1 9.113 . . 1 . . . . . . . . 6141 1 20 . 1 1 6 6 VAL N N 15 114.998 . . 1 . . . . . . . . 6141 1 21 . 1 1 6 6 VAL CA C 13 58.187 . . 1 . . . . . . . . 6141 1 22 . 1 1 6 6 VAL CB C 13 35.241 . . . . . . . . . . . 6141 1 23 . 1 1 6 6 VAL CG1 C 13 19.596 . . . . . . . . . . . 6141 1 24 . 1 1 6 6 VAL CG2 C 13 21.157 . . . . . . . . . . . 6141 1 25 . 1 1 7 7 TYR H H 1 8.722 . . 1 . . . . . . . . 6141 1 26 . 1 1 7 7 TYR N N 15 116.505 . . 1 . . . . . . . . 6141 1 27 . 1 1 7 7 TYR CA C 13 54.909 . . 1 . . . . . . . . 6141 1 28 . 1 1 7 7 TYR CB C 13 42.708 . . . . . . . . . . . 6141 1 29 . 1 1 8 8 LEU H H 1 8.995 . . 1 . . . . . . . . 6141 1 30 . 1 1 8 8 LEU N N 15 116.317 . . 1 . . . . . . . . 6141 1 31 . 1 1 8 8 LEU CA C 13 53.768 . . 1 . . . . . . . . 6141 1 32 . 1 1 8 8 LEU CB C 13 45.026 . . . . . . . . . . . 6141 1 33 . 1 1 8 8 LEU CD1 C 13 22.446 . . . . . . . . . . . 6141 1 34 . 1 1 8 8 LEU CD2 C 13 25.508 . . . . . . . . . . . 6141 1 35 . 1 1 9 9 ASP H H 1 9.213 . . 1 . . . . . . . . 6141 1 36 . 1 1 9 9 ASP N N 15 125.952 . . 1 . . . . . . . . 6141 1 37 . 1 1 9 9 ASP CA C 13 54.383 . . 1 . . . . . . . . 6141 1 38 . 1 1 9 9 ASP CB C 13 41.667 . . . . . . . . . . . 6141 1 39 . 1 1 10 10 VAL H H 1 8.278 . . 1 . . . . . . . . 6141 1 40 . 1 1 10 10 VAL N N 15 119.283 . . 1 . . . . . . . . 6141 1 41 . 1 1 10 10 VAL CA C 13 60.096 . . 1 . . . . . . . . 6141 1 42 . 1 1 10 10 VAL CB C 13 34.880 . . . . . . . . . . . 6141 1 43 . 1 1 10 10 VAL CG1 C 13 20.344 . . . . . . . . . . . 6141 1 44 . 1 1 10 10 VAL CG2 C 13 22.442 . . . . . . . . . . . 6141 1 45 . 1 1 11 11 GLY H H 1 9.561 . . 1 . . . . . . . . 6141 1 46 . 1 1 11 11 GLY N N 15 115.062 . . 1 . . . . . . . . 6141 1 47 . 1 1 11 11 GLY CA C 13 44.449 . . 1 . . . . . . . . 6141 1 48 . 1 1 12 12 ALA H H 1 8.921 . . 1 . . . . . . . . 6141 1 49 . 1 1 12 12 ALA N N 15 122.053 . . 1 . . . . . . . . 6141 1 50 . 1 1 12 12 ALA CA C 13 50.053 . . 1 . . . . . . . . 6141 1 51 . 1 1 12 12 ALA CB C 13 21.663 . . . . . . . . . . . 6141 1 52 . 1 1 13 13 ASP H H 1 9.418 . . 1 . . . . . . . . 6141 1 53 . 1 1 13 13 ASP N N 15 126.705 . . 1 . . . . . . . . 6141 1 54 . 1 1 13 13 ASP CA C 13 55.501 . . 1 . . . . . . . . 6141 1 55 . 1 1 13 13 ASP CB C 13 39.920 . . . . . . . . . . . 6141 1 56 . 1 1 14 14 GLY H H 1 8.682 . . 1 . . . . . . . . 6141 1 57 . 1 1 14 14 GLY N N 15 104.044 . . 1 . . . . . . . . 6141 1 58 . 1 1 14 14 GLY CA C 13 45.425 . . 1 . . . . . . . . 6141 1 59 . 1 1 15 15 GLN H H 1 7.834 . . 1 . . . . . . . . 6141 1 60 . 1 1 15 15 GLN N N 15 121.573 . . 1 . . . . . . . . 6141 1 61 . 1 1 15 15 GLN CA C 13 51.855 . . 1 . . . . . . . . 6141 1 62 . 1 1 15 15 GLN CB C 13 29.527 . . . . . . . . . . . 6141 1 63 . 1 1 17 17 LEU H H 1 9.705 . . 1 . . . . . . . . 6141 1 64 . 1 1 17 17 LEU N N 15 122.741 . . 1 . . . . . . . . 6141 1 65 . 1 1 17 17 LEU CA C 13 54.693 . . 1 . . . . . . . . 6141 1 66 . 1 1 17 17 LEU CB C 13 43.310 . . . . . . . . . . . 6141 1 67 . 1 1 17 17 LEU CD1 C 13 21.542 . . . . . . . . . . . 6141 1 68 . 1 1 17 17 LEU CD2 C 13 24.977 . . . . . . . . . . . 6141 1 69 . 1 1 18 18 GLY H H 1 7.678 . . 1 . . . . . . . . 6141 1 70 . 1 1 18 18 GLY N N 15 104.782 . . 1 . . . . . . . . 6141 1 71 . 1 1 18 18 GLY CA C 13 44.111 . . 1 . . . . . . . . 6141 1 72 . 1 1 19 19 ARG H H 1 8.327 . . 1 . . . . . . . . 6141 1 73 . 1 1 19 19 ARG N N 15 121.614 . . 1 . . . . . . . . 6141 1 74 . 1 1 19 19 ARG CA C 13 54.753 . . 1 . . . . . . . . 6141 1 75 . 1 1 19 19 ARG CB C 13 34.256 . . . . . . . . . . . 6141 1 76 . 1 1 19 19 ARG CG C 13 26.546 . . . . . . . . . . . 6141 1 77 . 1 1 19 19 ARG CD C 13 42.335 . . . . . . . . . . . 6141 1 78 . 1 1 20 20 VAL H H 1 9.491 . . 1 . . . . . . . . 6141 1 79 . 1 1 20 20 VAL N N 15 126.449 . . 1 . . . . . . . . 6141 1 80 . 1 1 20 20 VAL CA C 13 60.946 . . 1 . . . . . . . . 6141 1 81 . 1 1 20 20 VAL CB C 13 34.342 . . . . . . . . . . . 6141 1 82 . 1 1 21 21 VAL H H 1 8.896 . . 1 . . . . . . . . 6141 1 83 . 1 1 21 21 VAL N N 15 126.907 . . 1 . . . . . . . . 6141 1 84 . 1 1 21 21 VAL CA C 13 61.760 . . 1 . . . . . . . . 6141 1 85 . 1 1 21 21 VAL CB C 13 33.460 . . . . . . . . . . . 6141 1 86 . 1 1 22 22 LEU H H 1 9.604 . . 1 . . . . . . . . 6141 1 87 . 1 1 22 22 LEU N N 15 128.850 . . 1 . . . . . . . . 6141 1 88 . 1 1 22 22 LEU CA C 13 53.404 . . 1 . . . . . . . . 6141 1 89 . 1 1 22 22 LEU CB C 13 43.145 . . . . . . . . . . . 6141 1 90 . 1 1 23 23 GLU H H 1 8.596 . . 1 . . . . . . . . 6141 1 91 . 1 1 23 23 GLU N N 15 122.607 . . 1 . . . . . . . . 6141 1 92 . 1 1 23 23 GLU CA C 13 54.833 . . 1 . . . . . . . . 6141 1 93 . 1 1 23 23 GLU CB C 13 31.833 . . . . . . . . . . . 6141 1 94 . 1 1 24 24 LEU H H 1 8.403 . . 1 . . . . . . . . 6141 1 95 . 1 1 24 24 LEU N N 15 124.536 . . 1 . . . . . . . . 6141 1 96 . 1 1 24 24 LEU CA C 13 52.121 . . 1 . . . . . . . . 6141 1 97 . 1 1 24 24 LEU CB C 13 42.847 . . . . . . . . . . . 6141 1 98 . 1 1 24 24 LEU CG C 13 32.475 . . . . . . . . . . . 6141 1 99 . 1 1 25 25 LYS H H 1 8.856 . . 1 . . . . . . . . 6141 1 100 . 1 1 25 25 LYS N N 15 125.124 . . 1 . . . . . . . . 6141 1 101 . 1 1 25 25 LYS CA C 13 53.553 . . 1 . . . . . . . . 6141 1 102 . 1 1 25 25 LYS CB C 13 27.728 . . . . . . . . . . . 6141 1 103 . 1 1 25 25 LYS CG C 13 22.599 . . . . . . . . . . . 6141 1 104 . 1 1 25 25 LYS CE C 13 40.789 . . . . . . . . . . . 6141 1 105 . 1 1 26 26 ALA H H 1 8.155 . . 1 . . . . . . . . 6141 1 106 . 1 1 26 26 ALA N N 15 128.572 . . 1 . . . . . . . . 6141 1 107 . 1 1 26 26 ALA CA C 13 54.008 . . 1 . . . . . . . . 6141 1 108 . 1 1 26 26 ALA CB C 13 18.841 . . . . . . . . . . . 6141 1 109 . 1 1 27 27 ASP H H 1 9.086 . . 1 . . . . . . . . 6141 1 110 . 1 1 27 27 ASP N N 15 114.076 . . 1 . . . . . . . . 6141 1 111 . 1 1 27 27 ASP CA C 13 55.127 . . 1 . . . . . . . . 6141 1 112 . 1 1 27 27 ASP CB C 13 38.462 . . . . . . . . . . . 6141 1 113 . 1 1 28 28 VAL H H 1 7.563 . . 1 . . . . . . . . 6141 1 114 . 1 1 28 28 VAL N N 15 119.743 . . 1 . . . . . . . . 6141 1 115 . 1 1 28 28 VAL CA C 13 63.745 . . 1 . . . . . . . . 6141 1 116 . 1 1 28 28 VAL CB C 13 35.269 . . . . . . . . . . . 6141 1 117 . 1 1 28 28 VAL CG1 C 13 21.212 . . . . . . . . . . . 6141 1 118 . 1 1 29 29 VAL H H 1 8.240 . . 1 . . . . . . . . 6141 1 119 . 1 1 29 29 VAL N N 15 113.658 . . 1 . . . . . . . . 6141 1 120 . 1 1 29 29 VAL CA C 13 57.467 . . 1 . . . . . . . . 6141 1 121 . 1 1 29 29 VAL CB C 13 31.528 . . . . . . . . . . . 6141 1 122 . 1 1 31 31 LYS H H 1 10.741 . . 1 . . . . . . . . 6141 1 123 . 1 1 31 31 LYS N N 15 122.544 . . 1 . . . . . . . . 6141 1 124 . 1 1 31 31 LYS CA C 13 60.074 . . 1 . . . . . . . . 6141 1 125 . 1 1 31 31 LYS CB C 13 31.615 . . . . . . . . . . . 6141 1 126 . 1 1 31 31 LYS CG C 13 25.229 . . . . . . . . . . . 6141 1 127 . 1 1 31 31 LYS CD C 13 28.433 . . . . . . . . . . . 6141 1 128 . 1 1 31 31 LYS CE C 13 41.134 . . . . . . . . . . . 6141 1 129 . 1 1 32 32 THR H H 1 10.325 . . 1 . . . . . . . . 6141 1 130 . 1 1 32 32 THR N N 15 124.617 . . 1 . . . . . . . . 6141 1 131 . 1 1 32 32 THR CA C 13 67.586 . . 1 . . . . . . . . 6141 1 132 . 1 1 32 32 THR CB C 13 68.720 . . . . . . . . . . . 6141 1 133 . 1 1 32 32 THR CG2 C 13 21.267 . . . . . . . . . . . 6141 1 134 . 1 1 33 33 ALA H H 1 9.236 . . 1 . . . . . . . . 6141 1 135 . 1 1 33 33 ALA N N 15 125.543 . . 1 . . . . . . . . 6141 1 136 . 1 1 33 33 ALA CA C 13 55.847 . . 1 . . . . . . . . 6141 1 137 . 1 1 33 33 ALA CB C 13 18.579 . . . . . . . . . . . 6141 1 138 . 1 1 34 34 GLU H H 1 8.026 . . 1 . . . . . . . . 6141 1 139 . 1 1 34 34 GLU N N 15 117.517 . . 1 . . . . . . . . 6141 1 140 . 1 1 34 34 GLU CA C 13 58.039 . . 1 . . . . . . . . 6141 1 141 . 1 1 34 34 GLU CB C 13 28.210 . . . . . . . . . . . 6141 1 142 . 1 1 34 34 GLU CG C 13 32.921 . . . . . . . . . . . 6141 1 143 . 1 1 35 35 ASN H H 1 7.098 . . 1 . . . . . . . . 6141 1 144 . 1 1 35 35 ASN N N 15 114.943 . . 1 . . . . . . . . 6141 1 145 . 1 1 35 35 ASN CA C 13 56.592 . . 1 . . . . . . . . 6141 1 146 . 1 1 35 35 ASN CB C 13 39.553 . . . . . . . . . . . 6141 1 147 . 1 1 36 36 PHE H H 1 7.050 . . 1 . . . . . . . . 6141 1 148 . 1 1 36 36 PHE N N 15 117.244 . . 1 . . . . . . . . 6141 1 149 . 1 1 36 36 PHE CA C 13 61.896 . . 1 . . . . . . . . 6141 1 150 . 1 1 36 36 PHE CB C 13 40.320 . . . . . . . . . . . 6141 1 151 . 1 1 37 37 ARG H H 1 8.867 . . 1 . . . . . . . . 6141 1 152 . 1 1 37 37 ARG N N 15 119.209 . . 1 . . . . . . . . 6141 1 153 . 1 1 37 37 ARG CA C 13 45.374 . . 1 . . . . . . . . 6141 1 154 . 1 1 37 37 ARG CB C 13 30.117 . . . . . . . . . . . 6141 1 155 . 1 1 37 37 ARG CG C 13 23.577 . . . . . . . . . . . 6141 1 156 . 1 1 37 37 ARG CD C 13 40.574 . . . . . . . . . . . 6141 1 157 . 1 1 38 38 ALA H H 1 8.411 . . 1 . . . . . . . . 6141 1 158 . 1 1 38 38 ALA N N 15 118.130 . . 1 . . . . . . . . 6141 1 159 . 1 1 38 38 ALA CA C 13 54.212 . . 1 . . . . . . . . 6141 1 160 . 1 1 38 38 ALA CB C 13 18.169 . . . . . . . . . . . 6141 1 161 . 1 1 39 39 LEU H H 1 7.908 . . 1 . . . . . . . . 6141 1 162 . 1 1 39 39 LEU N N 15 122.090 . . 1 . . . . . . . . 6141 1 163 . 1 1 39 39 LEU CA C 13 57.144 . . 1 . . . . . . . . 6141 1 164 . 1 1 39 39 LEU CB C 13 40.884 . . . . . . . . . . . 6141 1 165 . 1 1 39 39 LEU CD1 C 13 23.547 . . . . . . . . . . . 6141 1 166 . 1 1 39 39 LEU CD2 C 13 25.859 . . . . . . . . . . . 6141 1 167 . 1 1 40 40 CYS H H 1 7.877 . . 1 . . . . . . . . 6141 1 168 . 1 1 40 40 CYS N N 15 120.004 . . 1 . . . . . . . . 6141 1 169 . 1 1 40 40 CYS CA C 13 63.631 . . 1 . . . . . . . . 6141 1 170 . 1 1 40 40 CYS CB C 13 26.912 . . . . . . . . . . . 6141 1 171 . 1 1 41 41 THR H H 1 7.999 . . 1 . . . . . . . . 6141 1 172 . 1 1 41 41 THR N N 15 107.079 . . 1 . . . . . . . . 6141 1 173 . 1 1 41 41 THR CA C 13 63.296 . . 1 . . . . . . . . 6141 1 174 . 1 1 41 41 THR CB C 13 69.105 . . . . . . . . . . . 6141 1 175 . 1 1 41 41 THR CG2 C 13 21.691 . . . . . . . . . . . 6141 1 176 . 1 1 42 42 GLY H H 1 7.774 . . 1 . . . . . . . . 6141 1 177 . 1 1 42 42 GLY N N 15 108.231 . . 1 . . . . . . . . 6141 1 178 . 1 1 42 42 GLY CA C 13 45.588 . . 1 . . . . . . . . 6141 1 179 . 1 1 43 43 GLU H H 1 7.989 . . 1 . . . . . . . . 6141 1 180 . 1 1 43 43 GLU N N 15 118.562 . . 1 . . . . . . . . 6141 1 181 . 1 1 43 43 GLU CA C 13 58.500 . . 1 . . . . . . . . 6141 1 182 . 1 1 43 43 GLU CB C 13 30.118 . . . . . . . . . . . 6141 1 183 . 1 1 43 43 GLU CG C 13 34.662 . . . . . . . . . . . 6141 1 184 . 1 1 44 44 LYS H H 1 9.113 . . 1 . . . . . . . . 6141 1 185 . 1 1 44 44 LYS N N 15 118.655 . . 1 . . . . . . . . 6141 1 186 . 1 1 44 44 LYS CA C 13 54.256 . . 1 . . . . . . . . 6141 1 187 . 1 1 44 44 LYS CB C 13 30.286 . . . . . . . . . . . 6141 1 188 . 1 1 44 44 LYS CG C 13 24.165 . . . . . . . . . . . 6141 1 189 . 1 1 44 44 LYS CD C 13 26.751 . . . . . . . . . . . 6141 1 190 . 1 1 44 44 LYS CE C 13 41.641 . . . . . . . . . . . 6141 1 191 . 1 1 45 45 GLY H H 1 7.942 . . 1 . . . . . . . . 6141 1 192 . 1 1 45 45 GLY N N 15 105.634 . . 1 . . . . . . . . 6141 1 193 . 1 1 45 45 GLY CA C 13 44.639 . . 1 . . . . . . . . 6141 1 194 . 1 1 46 46 PHE H H 1 6.396 . . 1 . . . . . . . . 6141 1 195 . 1 1 46 46 PHE N N 15 113.758 . . 1 . . . . . . . . 6141 1 196 . 1 1 46 46 PHE CA C 13 54.079 . . 1 . . . . . . . . 6141 1 197 . 1 1 46 46 PHE CB C 13 39.562 . . . . . . . . . . . 6141 1 198 . 1 1 47 47 GLY H H 1 7.681 . . 1 . . . . . . . . 6141 1 199 . 1 1 47 47 GLY N N 15 104.559 . . 1 . . . . . . . . 6141 1 200 . 1 1 47 47 GLY CA C 13 45.689 . . 1 . . . . . . . . 6141 1 201 . 1 1 48 48 TYR H H 1 6.869 . . 1 . . . . . . . . 6141 1 202 . 1 1 48 48 TYR N N 15 113.220 . . 1 . . . . . . . . 6141 1 203 . 1 1 48 48 TYR CA C 13 57.655 . . 1 . . . . . . . . 6141 1 204 . 1 1 48 48 TYR CB C 13 38.816 . . . . . . . . . . . 6141 1 205 . 1 1 49 49 LYS H H 1 8.458 . . 1 . . . . . . . . 6141 1 206 . 1 1 49 49 LYS N N 15 124.561 . . 1 . . . . . . . . 6141 1 207 . 1 1 49 49 LYS CA C 13 60.967 . . 1 . . . . . . . . 6141 1 208 . 1 1 49 49 LYS CB C 13 46.312 . . . . . . . . . . . 6141 1 209 . 1 1 49 49 LYS CG C 13 24.676 . . . . . . . . . . . 6141 1 210 . 1 1 49 49 LYS CD C 13 29.416 . . . . . . . . . . . 6141 1 211 . 1 1 49 49 LYS CE C 13 41.467 . . . . . . . . . . . 6141 1 212 . 1 1 50 50 GLY H H 1 9.623 . . 1 . . . . . . . . 6141 1 213 . 1 1 50 50 GLY N N 15 117.703 . . 1 . . . . . . . . 6141 1 214 . 1 1 50 50 GLY CA C 13 45.471 . . 1 . . . . . . . . 6141 1 215 . 1 1 51 51 SER H H 1 8.555 . . 1 . . . . . . . . 6141 1 216 . 1 1 51 51 SER N N 15 116.275 . . 1 . . . . . . . . 6141 1 217 . 1 1 51 51 SER CA C 13 58.440 . . 1 . . . . . . . . 6141 1 218 . 1 1 51 51 SER CB C 13 64.756 . . . . . . . . . . . 6141 1 219 . 1 1 52 52 THR H H 1 9.538 . . 1 . . . . . . . . 6141 1 220 . 1 1 52 52 THR N N 15 107.299 . . 1 . . . . . . . . 6141 1 221 . 1 1 52 52 THR CA C 13 61.338 . . 1 . . . . . . . . 6141 1 222 . 1 1 52 52 THR CB C 13 73.422 . . . . . . . . . . . 6141 1 223 . 1 1 52 52 THR CG2 C 13 21.545 . . . . . . . . . . . 6141 1 224 . 1 1 53 53 PHE H H 1 8.486 . . 1 . . . . . . . . 6141 1 225 . 1 1 53 53 PHE N N 15 120.967 . . 1 . . . . . . . . 6141 1 226 . 1 1 53 53 PHE CA C 13 57.177 . . 1 . . . . . . . . 6141 1 227 . 1 1 53 53 PHE CB C 13 38.763 . . . . . . . . . . . 6141 1 228 . 1 1 54 54 HIS H H 1 7.423 . . 1 . . . . . . . . 6141 1 229 . 1 1 54 54 HIS N N 15 119.780 . . 1 . . . . . . . . 6141 1 230 . 1 1 54 54 HIS CA C 13 56.916 . . 1 . . . . . . . . 6141 1 231 . 1 1 54 54 HIS CB C 13 31.490 . . . . . . . . . . . 6141 1 232 . 1 1 55 55 ARG H H 1 6.775 . . 1 . . . . . . . . 6141 1 233 . 1 1 55 55 ARG N N 15 123.766 . . 1 . . . . . . . . 6141 1 234 . 1 1 55 55 ARG CA C 13 54.815 . . 1 . . . . . . . . 6141 1 235 . 1 1 55 55 ARG CB C 13 32.480 . . . . . . . . . . . 6141 1 236 . 1 1 55 55 ARG CG C 13 27.396 . . . . . . . . . . . 6141 1 237 . 1 1 55 55 ARG CD C 13 42.734 . . . . . . . . . . . 6141 1 238 . 1 1 56 56 VAL H H 1 9.357 . . 1 . . . . . . . . 6141 1 239 . 1 1 56 56 VAL N N 15 128.775 . . 1 . . . . . . . . 6141 1 240 . 1 1 56 56 VAL CA C 13 61.904 . . 1 . . . . . . . . 6141 1 241 . 1 1 56 56 VAL CB C 13 35.116 . . . . . . . . . . . 6141 1 242 . 1 1 56 56 VAL CG1 C 13 21.354 . . . . . . . . . . . 6141 1 243 . 1 1 57 57 ILE H H 1 8.527 . . 1 . . . . . . . . 6141 1 244 . 1 1 57 57 ILE N N 15 127.711 . . 1 . . . . . . . . 6141 1 245 . 1 1 57 57 ILE CA C 13 57.297 . . 1 . . . . . . . . 6141 1 246 . 1 1 57 57 ILE CB C 13 40.860 . . . . . . . . . . . 6141 1 247 . 1 1 59 59 ALA H H 1 9.627 . . 1 . . . . . . . . 6141 1 248 . 1 1 59 59 ALA N N 15 122.811 . . 1 . . . . . . . . 6141 1 249 . 1 1 59 59 ALA CA C 13 52.891 . . 1 . . . . . . . . 6141 1 250 . 1 1 59 59 ALA CB C 13 17.102 . . . . . . . . . . . 6141 1 251 . 1 1 60 60 PHE H H 1 7.456 . . 1 . . . . . . . . 6141 1 252 . 1 1 60 60 PHE N N 15 112.927 . . 1 . . . . . . . . 6141 1 253 . 1 1 60 60 PHE CA C 13 57.514 . . 1 . . . . . . . . 6141 1 254 . 1 1 60 60 PHE CB C 13 38.131 . . . . . . . . . . . 6141 1 255 . 1 1 61 61 MET H H 1 8.079 . . 1 . . . . . . . . 6141 1 256 . 1 1 61 61 MET N N 15 112.118 . . 1 . . . . . . . . 6141 1 257 . 1 1 61 61 MET CA C 13 54.701 . . 1 . . . . . . . . 6141 1 258 . 1 1 61 61 MET CB C 13 35.233 . . . . . . . . . . . 6141 1 259 . 1 1 61 61 MET CG C 13 27.686 . . . . . . . . . . . 6141 1 260 . 1 1 62 62 CYS H H 1 8.433 . . 1 . . . . . . . . 6141 1 261 . 1 1 62 62 CYS N N 15 115.382 . . 1 . . . . . . . . 6141 1 262 . 1 1 62 62 CYS CA C 13 56.677 . . 1 . . . . . . . . 6141 1 263 . 1 1 62 62 CYS CB C 13 30.086 . . . . . . . . . . . 6141 1 264 . 1 1 63 63 GLN H H 1 9.406 . . 1 . . . . . . . . 6141 1 265 . 1 1 63 63 GLN N N 15 127.822 . . 1 . . . . . . . . 6141 1 266 . 1 1 63 63 GLN CA C 13 54.830 . . 1 . . . . . . . . 6141 1 267 . 1 1 63 63 GLN CB C 13 30.783 . . . . . . . . . . . 6141 1 268 . 1 1 63 63 GLN CG C 13 32.847 . . . . . . . . . . . 6141 1 269 . 1 1 64 64 ALA H H 1 8.001 . . 1 . . . . . . . . 6141 1 270 . 1 1 64 64 ALA N N 15 126.059 . . 1 . . . . . . . . 6141 1 271 . 1 1 64 64 ALA CA C 13 50.253 . . 1 . . . . . . . . 6141 1 272 . 1 1 64 64 ALA CB C 13 22.538 . . . . . . . . . . . 6141 1 273 . 1 1 65 65 GLY H H 1 8.329 . . 1 . . . . . . . . 6141 1 274 . 1 1 65 65 GLY N N 15 103.850 . . 1 . . . . . . . . 6141 1 275 . 1 1 65 65 GLY CA C 13 46.986 . . 1 . . . . . . . . 6141 1 276 . 1 1 66 66 ASP H H 1 10.043 . . 1 . . . . . . . . 6141 1 277 . 1 1 66 66 ASP N N 15 124.444 . . 1 . . . . . . . . 6141 1 278 . 1 1 66 66 ASP CA C 13 51.470 . . 1 . . . . . . . . 6141 1 279 . 1 1 66 66 ASP CB C 13 38.674 . . . . . . . . . . . 6141 1 280 . 1 1 67 67 PHE H H 1 6.626 . . 1 . . . . . . . . 6141 1 281 . 1 1 67 67 PHE N N 15 115.799 . . 1 . . . . . . . . 6141 1 282 . 1 1 67 67 PHE CA C 13 56.141 . . 1 . . . . . . . . 6141 1 283 . 1 1 67 67 PHE CB C 13 39.021 . . . . . . . . . . . 6141 1 284 . 1 1 68 68 THR H H 1 7.335 . . 1 . . . . . . . . 6141 1 285 . 1 1 68 68 THR N N 15 109.821 . . 1 . . . . . . . . 6141 1 286 . 1 1 68 68 THR CA C 13 61.922 . . 1 . . . . . . . . 6141 1 287 . 1 1 68 68 THR CB C 13 68.679 . . . . . . . . . . . 6141 1 288 . 1 1 68 68 THR CG2 C 13 21.249 . . . . . . . . . . . 6141 1 289 . 1 1 69 69 ASN H H 1 8.648 . . 1 . . . . . . . . 6141 1 290 . 1 1 69 69 ASN N N 15 120.524 . . 1 . . . . . . . . 6141 1 291 . 1 1 69 69 ASN CA C 13 52.732 . . 1 . . . . . . . . 6141 1 292 . 1 1 69 69 ASN CB C 13 39.308 . . . . . . . . . . . 6141 1 293 . 1 1 71 71 ASN H H 1 7.602 . . 1 . . . . . . . . 6141 1 294 . 1 1 71 71 ASN N N 15 112.604 . . 1 . . . . . . . . 6141 1 295 . 1 1 71 71 ASN CA C 13 52.599 . . 1 . . . . . . . . 6141 1 296 . 1 1 71 71 ASN CB C 13 38.873 . . . . . . . . . . . 6141 1 297 . 1 1 72 72 GLY H H 1 9.681 . . 1 . . . . . . . . 6141 1 298 . 1 1 72 72 GLY N N 15 110.599 . . 1 . . . . . . . . 6141 1 299 . 1 1 72 72 GLY CA C 13 45.138 . . 1 . . . . . . . . 6141 1 300 . 1 1 73 73 THR H H 1 7.989 . . 1 . . . . . . . . 6141 1 301 . 1 1 73 73 THR N N 15 112.457 . . 1 . . . . . . . . 6141 1 302 . 1 1 73 73 THR CA C 13 62.599 . . 1 . . . . . . . . 6141 1 303 . 1 1 73 73 THR CB C 13 70.868 . . . . . . . . . . . 6141 1 304 . 1 1 73 73 THR CG2 C 13 20.241 . . . . . . . . . . . 6141 1 305 . 1 1 74 74 GLY H H 1 8.589 . . 1 . . . . . . . . 6141 1 306 . 1 1 74 74 GLY N N 15 113.299 . . 1 . . . . . . . . 6141 1 307 . 1 1 74 74 GLY CA C 13 45.502 . . 1 . . . . . . . . 6141 1 308 . 1 1 75 75 GLY H H 1 8.050 . . 1 . . . . . . . . 6141 1 309 . 1 1 75 75 GLY N N 15 109.346 . . 1 . . . . . . . . 6141 1 310 . 1 1 75 75 GLY CA C 13 43.188 . . 1 . . . . . . . . 6141 1 311 . 1 1 76 76 LYS H H 1 7.016 . . 1 . . . . . . . . 6141 1 312 . 1 1 76 76 LYS N N 15 115.752 . . 1 . . . . . . . . 6141 1 313 . 1 1 76 76 LYS CA C 13 55.920 . . 1 . . . . . . . . 6141 1 314 . 1 1 76 76 LYS CB C 13 34.541 . . . . . . . . . . . 6141 1 315 . 1 1 76 76 LYS CG C 13 22.684 . . . . . . . . . . . 6141 1 316 . 1 1 76 76 LYS CD C 13 28.833 . . . . . . . . . . . 6141 1 317 . 1 1 76 76 LYS CE C 13 40.449 . . . . . . . . . . . 6141 1 318 . 1 1 77 77 SER H H 1 7.775 . . 1 . . . . . . . . 6141 1 319 . 1 1 77 77 SER N N 15 114.483 . . 1 . . . . . . . . 6141 1 320 . 1 1 77 77 SER CA C 13 56.744 . . 1 . . . . . . . . 6141 1 321 . 1 1 77 77 SER CB C 13 69.643 . . . . . . . . . . . 6141 1 322 . 1 1 78 78 ILE H H 1 8.620 . . 1 . . . . . . . . 6141 1 323 . 1 1 78 78 ILE N N 15 111.715 . . 1 . . . . . . . . 6141 1 324 . 1 1 78 78 ILE CA C 13 63.683 . . 1 . . . . . . . . 6141 1 325 . 1 1 78 78 ILE CB C 13 37.297 . . . . . . . . . . . 6141 1 326 . 1 1 78 78 ILE CG2 C 13 16.587 . . . . . . . . . . . 6141 1 327 . 1 1 78 78 ILE CD1 C 13 13.353 . . . . . . . . . . . 6141 1 328 . 1 1 79 79 TYR H H 1 8.064 . . 1 . . . . . . . . 6141 1 329 . 1 1 79 79 TYR N N 15 120.594 . . 1 . . . . . . . . 6141 1 330 . 1 1 79 79 TYR CA C 13 56.204 . . 1 . . . . . . . . 6141 1 331 . 1 1 79 79 TYR CB C 13 38.842 . . . . . . . . . . . 6141 1 332 . 1 1 80 80 GLY H H 1 7.148 . . 1 . . . . . . . . 6141 1 333 . 1 1 80 80 GLY N N 15 106.585 . . 1 . . . . . . . . 6141 1 334 . 1 1 80 80 GLY CA C 13 43.943 . . 1 . . . . . . . . 6141 1 335 . 1 1 82 82 ARG H H 1 7.865 . . 1 . . . . . . . . 6141 1 336 . 1 1 82 82 ARG N N 15 115.621 . . 1 . . . . . . . . 6141 1 337 . 1 1 82 82 ARG CA C 13 53.602 . . 1 . . . . . . . . 6141 1 338 . 1 1 82 82 ARG CB C 13 34.212 . . . . . . . . . . . 6141 1 339 . 1 1 83 83 PHE H H 1 9.122 . . 1 . . . . . . . . 6141 1 340 . 1 1 83 83 PHE N N 15 118.010 . . 1 . . . . . . . . 6141 1 341 . 1 1 83 83 PHE CA C 13 54.919 . . 1 . . . . . . . . 6141 1 342 . 1 1 83 83 PHE CB C 13 39.390 . . . . . . . . . . . 6141 1 343 . 1 1 85 85 ASP H H 1 8.746 . . 1 . . . . . . . . 6141 1 344 . 1 1 85 85 ASP N N 15 119.802 . . 1 . . . . . . . . 6141 1 345 . 1 1 85 85 ASP CA C 13 54.761 . . 1 . . . . . . . . 6141 1 346 . 1 1 85 85 ASP CB C 13 40.870 . . . . . . . . . . . 6141 1 347 . 1 1 86 86 GLU H H 1 9.304 . . 1 . . . . . . . . 6141 1 348 . 1 1 86 86 GLU N N 15 131.968 . . 1 . . . . . . . . 6141 1 349 . 1 1 86 86 GLU CA C 13 60.299 . . 1 . . . . . . . . 6141 1 350 . 1 1 86 86 GLU CB C 13 31.555 . . . . . . . . . . . 6141 1 351 . 1 1 86 86 GLU CG C 13 34.327 . . . . . . . . . . . 6141 1 352 . 1 1 87 87 ASN H H 1 7.023 . . 1 . . . . . . . . 6141 1 353 . 1 1 87 87 ASN N N 15 107.016 . . 1 . . . . . . . . 6141 1 354 . 1 1 87 87 ASN CA C 13 52.889 . . 1 . . . . . . . . 6141 1 355 . 1 1 87 87 ASN CB C 13 39.565 . . . . . . . . . . . 6141 1 356 . 1 1 88 88 PHE H H 1 8.300 . . 1 . . . . . . . . 6141 1 357 . 1 1 88 88 PHE N N 15 113.204 . . 1 . . . . . . . . 6141 1 358 . 1 1 88 88 PHE CA C 13 55.925 . . 1 . . . . . . . . 6141 1 359 . 1 1 88 88 PHE CB C 13 38.365 . . . . . . . . . . . 6141 1 360 . 1 1 89 89 THR H H 1 8.532 . . 1 . . . . . . . . 6141 1 361 . 1 1 89 89 THR N N 15 118.108 . . 1 . . . . . . . . 6141 1 362 . 1 1 89 89 THR CA C 13 66.869 . . 1 . . . . . . . . 6141 1 363 . 1 1 89 89 THR CB C 13 68.884 . . . . . . . . . . . 6141 1 364 . 1 1 89 89 THR CG2 C 13 21.305 . . . . . . . . . . . 6141 1 365 . 1 1 90 90 LEU H H 1 8.118 . . 1 . . . . . . . . 6141 1 366 . 1 1 90 90 LEU N N 15 118.885 . . 1 . . . . . . . . 6141 1 367 . 1 1 90 90 LEU CA C 13 54.442 . . 1 . . . . . . . . 6141 1 368 . 1 1 90 90 LEU CB C 13 40.792 . . . . . . . . . . . 6141 1 369 . 1 1 90 90 LEU CD1 C 13 21.338 . . . . . . . . . . . 6141 1 370 . 1 1 90 90 LEU CD2 C 13 25.044 . . . . . . . . . . . 6141 1 371 . 1 1 91 91 LYS H H 1 8.269 . . 1 . . . . . . . . 6141 1 372 . 1 1 91 91 LYS N N 15 118.586 . . 1 . . . . . . . . 6141 1 373 . 1 1 91 91 LYS CA C 13 54.098 . . 1 . . . . . . . . 6141 1 374 . 1 1 91 91 LYS CB C 13 34.360 . . . . . . . . . . . 6141 1 375 . 1 1 91 91 LYS CG C 13 24.745 . . . . . . . . . . . 6141 1 376 . 1 1 91 91 LYS CD C 13 27.539 . . . . . . . . . . . 6141 1 377 . 1 1 91 91 LYS CE C 13 41.980 . . . . . . . . . . . 6141 1 378 . 1 1 92 92 HIS H H 1 10.873 . . 1 . . . . . . . . 6141 1 379 . 1 1 92 92 HIS N N 15 123.496 . . 1 . . . . . . . . 6141 1 380 . 1 1 92 92 HIS CA C 13 56.849 . . 1 . . . . . . . . 6141 1 381 . 1 1 92 92 HIS CB C 13 25.918 . . . . . . . . . . . 6141 1 382 . 1 1 93 93 VAL H H 1 7.022 . . 1 . . . . . . . . 6141 1 383 . 1 1 93 93 VAL N N 15 113.937 . . 1 . . . . . . . . 6141 1 384 . 1 1 93 93 VAL CA C 13 63.355 . . 1 . . . . . . . . 6141 1 385 . 1 1 93 93 VAL CB C 13 32.747 . . . . . . . . . . . 6141 1 386 . 1 1 93 93 VAL CG1 C 13 17.074 . . . . . . . . . . . 6141 1 387 . 1 1 93 93 VAL CG2 C 13 21.463 . . . . . . . . . . . 6141 1 388 . 1 1 94 94 GLY H H 1 7.303 . . 1 . . . . . . . . 6141 1 389 . 1 1 94 94 GLY N N 15 105.650 . . 1 . . . . . . . . 6141 1 390 . 1 1 94 94 GLY CA C 13 45.541 . . 1 . . . . . . . . 6141 1 391 . 1 1 96 96 GLY H H 1 9.013 . . 1 . . . . . . . . 6141 1 392 . 1 1 96 96 GLY N N 15 109.813 . . 1 . . . . . . . . 6141 1 393 . 1 1 96 96 GLY CA C 13 44.942 . . 1 . . . . . . . . 6141 1 394 . 1 1 97 97 VAL H H 1 6.648 . . 1 . . . . . . . . 6141 1 395 . 1 1 97 97 VAL N N 15 119.609 . . 1 . . . . . . . . 6141 1 396 . 1 1 97 97 VAL CA C 13 64.497 . . 1 . . . . . . . . 6141 1 397 . 1 1 97 97 VAL CB C 13 33.578 . . . . . . . . . . . 6141 1 398 . 1 1 97 97 VAL CG1 C 13 23.617 . . . . . . . . . . . 6141 1 399 . 1 1 98 98 LEU H H 1 7.364 . . 1 . . . . . . . . 6141 1 400 . 1 1 98 98 LEU N N 15 129.760 . . 1 . . . . . . . . 6141 1 401 . 1 1 98 98 LEU CA C 13 53.200 . . 1 . . . . . . . . 6141 1 402 . 1 1 98 98 LEU CB C 13 44.008 . . . . . . . . . . . 6141 1 403 . 1 1 98 98 LEU CD1 C 13 23.310 . . . . . . . . . . . 6141 1 404 . 1 1 98 98 LEU CD2 C 13 26.487 . . . . . . . . . . . 6141 1 405 . 1 1 99 99 SER H H 1 8.264 . . 1 . . . . . . . . 6141 1 406 . 1 1 99 99 SER N N 15 120.986 . . 1 . . . . . . . . 6141 1 407 . 1 1 99 99 SER CA C 13 55.295 . . 1 . . . . . . . . 6141 1 408 . 1 1 99 99 SER CB C 13 64.745 . . . . . . . . . . . 6141 1 409 . 1 1 100 100 MET H H 1 8.552 . . 1 . . . . . . . . 6141 1 410 . 1 1 100 100 MET N N 15 123.363 . . 1 . . . . . . . . 6141 1 411 . 1 1 100 100 MET CA C 13 53.530 . . 1 . . . . . . . . 6141 1 412 . 1 1 100 100 MET CB C 13 31.036 . . . . . . . . . . . 6141 1 413 . 1 1 103 103 ALA H H 1 8.840 . . 1 . . . . . . . . 6141 1 414 . 1 1 103 103 ALA N N 15 123.298 . . 1 . . . . . . . . 6141 1 415 . 1 1 103 103 ALA CA C 13 50.311 . . 1 . . . . . . . . 6141 1 416 . 1 1 103 103 ALA CB C 13 19.254 . . . . . . . . . . . 6141 1 417 . 1 1 104 104 GLY H H 1 8.163 . . 1 . . . . . . . . 6141 1 418 . 1 1 104 104 GLY N N 15 109.332 . . 1 . . . . . . . . 6141 1 419 . 1 1 104 104 GLY CA C 13 43.426 . . 1 . . . . . . . . 6141 1 420 . 1 1 106 106 ASN H H 1 8.957 . . 1 . . . . . . . . 6141 1 421 . 1 1 106 106 ASN N N 15 118.800 . . 1 . . . . . . . . 6141 1 422 . 1 1 106 106 ASN CA C 13 54.347 . . 1 . . . . . . . . 6141 1 423 . 1 1 106 106 ASN CB C 13 36.992 . . . . . . . . . . . 6141 1 424 . 1 1 107 107 THR H H 1 10.331 . . 1 . . . . . . . . 6141 1 425 . 1 1 107 107 THR N N 15 110.537 . . 1 . . . . . . . . 6141 1 426 . 1 1 107 107 THR CA C 13 60.006 . . 1 . . . . . . . . 6141 1 427 . 1 1 107 107 THR CB C 13 68.880 . . . . . . . . . . . 6141 1 428 . 1 1 107 107 THR CG2 C 13 20.386 . . . . . . . . . . . 6141 1 429 . 1 1 108 108 ASN H H 1 7.108 . . 1 . . . . . . . . 6141 1 430 . 1 1 108 108 ASN N N 15 120.109 . . 1 . . . . . . . . 6141 1 431 . 1 1 108 108 ASN CA C 13 55.674 . . 1 . . . . . . . . 6141 1 432 . 1 1 108 108 ASN CB C 13 39.653 . . . . . . . . . . . 6141 1 433 . 1 1 109 109 GLY H H 1 9.175 . . 1 . . . . . . . . 6141 1 434 . 1 1 109 109 GLY N N 15 110.969 . . 1 . . . . . . . . 6141 1 435 . 1 1 109 109 GLY CA C 13 45.912 . . 1 . . . . . . . . 6141 1 436 . 1 1 110 110 SER H H 1 8.873 . . 1 . . . . . . . . 6141 1 437 . 1 1 110 110 SER N N 15 117.209 . . 1 . . . . . . . . 6141 1 438 . 1 1 110 110 SER CA C 13 57.570 . . 1 . . . . . . . . 6141 1 439 . 1 1 110 110 SER CB C 13 66.033 . . . . . . . . . . . 6141 1 440 . 1 1 111 111 GLN H H 1 8.500 . . 1 . . . . . . . . 6141 1 441 . 1 1 111 111 GLN N N 15 124.853 . . 1 . . . . . . . . 6141 1 442 . 1 1 111 111 GLN CA C 13 57.754 . . 1 . . . . . . . . 6141 1 443 . 1 1 111 111 GLN CB C 13 32.098 . . . . . . . . . . . 6141 1 444 . 1 1 111 111 GLN CG C 13 35.034 . . . . . . . . . . . 6141 1 445 . 1 1 112 112 PHE H H 1 8.801 . . 1 . . . . . . . . 6141 1 446 . 1 1 112 112 PHE N N 15 118.912 . . 1 . . . . . . . . 6141 1 447 . 1 1 112 112 PHE CA C 13 55.263 . . 1 . . . . . . . . 6141 1 448 . 1 1 112 112 PHE CB C 13 42.993 . . . . . . . . . . . 6141 1 449 . 1 1 113 113 PHE H H 1 9.726 . . 1 . . . . . . . . 6141 1 450 . 1 1 113 113 PHE N N 15 115.186 . . 1 . . . . . . . . 6141 1 451 . 1 1 113 113 PHE CA C 13 54.918 . . 1 . . . . . . . . 6141 1 452 . 1 1 113 113 PHE CB C 13 43.744 . . . . . . . . . . . 6141 1 453 . 1 1 114 114 ILE H H 1 8.765 . . 1 . . . . . . . . 6141 1 454 . 1 1 114 114 ILE N N 15 117.438 . . 1 . . . . . . . . 6141 1 455 . 1 1 114 114 ILE CA C 13 59.221 . . 1 . . . . . . . . 6141 1 456 . 1 1 114 114 ILE CB C 13 40.820 . . . . . . . . . . . 6141 1 457 . 1 1 114 114 ILE CG2 C 13 17.254 . . . . . . . . . . . 6141 1 458 . 1 1 114 114 ILE CD1 C 13 13.305 . . . . . . . . . . . 6141 1 459 . 1 1 115 115 CYS H H 1 9.081 . . 1 . . . . . . . . 6141 1 460 . 1 1 115 115 CYS N N 15 125.575 . . 1 . . . . . . . . 6141 1 461 . 1 1 115 115 CYS CA C 13 60.450 . . 1 . . . . . . . . 6141 1 462 . 1 1 115 115 CYS CB C 13 29.146 . . . . . . . . . . . 6141 1 463 . 1 1 116 116 THR H H 1 8.852 . . 1 . . . . . . . . 6141 1 464 . 1 1 116 116 THR N N 15 113.613 . . 1 . . . . . . . . 6141 1 465 . 1 1 116 116 THR CA C 13 61.079 . . 1 . . . . . . . . 6141 1 466 . 1 1 116 116 THR CB C 13 67.530 . . . . . . . . . . . 6141 1 467 . 1 1 116 116 THR CG2 C 13 22.591 . . . . . . . . . . . 6141 1 468 . 1 1 117 117 ILE H H 1 7.608 . . 1 . . . . . . . . 6141 1 469 . 1 1 117 117 ILE N N 15 118.139 . . 1 . . . . . . . . 6141 1 470 . 1 1 117 117 ILE CA C 13 59.666 . . 1 . . . . . . . . 6141 1 471 . 1 1 117 117 ILE CB C 13 51.876 . . . . . . . . . . . 6141 1 472 . 1 1 117 117 ILE CG2 C 13 16.754 . . . . . . . . . . . 6141 1 473 . 1 1 117 117 ILE CD1 C 13 14.437 . . . . . . . . . . . 6141 1 474 . 1 1 118 118 LYS H H 1 8.273 . . 1 . . . . . . . . 6141 1 475 . 1 1 118 118 LYS N N 15 120.946 . . 1 . . . . . . . . 6141 1 476 . 1 1 118 118 LYS CA C 13 57.421 . . 1 . . . . . . . . 6141 1 477 . 1 1 118 118 LYS CB C 13 32.995 . . . . . . . . . . . 6141 1 478 . 1 1 118 118 LYS CG C 13 23.722 . . . . . . . . . . . 6141 1 479 . 1 1 118 118 LYS CD C 13 29.174 . . . . . . . . . . . 6141 1 480 . 1 1 118 118 LYS CE C 13 41.183 . . . . . . . . . . . 6141 1 481 . 1 1 119 119 THR H H 1 7.835 . . 1 . . . . . . . . 6141 1 482 . 1 1 119 119 THR N N 15 121.317 . . 1 . . . . . . . . 6141 1 483 . 1 1 119 119 THR CA C 13 57.013 . . 1 . . . . . . . . 6141 1 484 . 1 1 119 119 THR CB C 13 67.864 . . . . . . . . . . . 6141 1 485 . 1 1 119 119 THR CG2 C 13 19.868 . . . . . . . . . . . 6141 1 486 . 1 1 120 120 ASP H H 1 8.422 . . 1 . . . . . . . . 6141 1 487 . 1 1 120 120 ASP N N 15 121.678 . . 1 . . . . . . . . 6141 1 488 . 1 1 120 120 ASP CA C 13 56.355 . . 1 . . . . . . . . 6141 1 489 . 1 1 120 120 ASP CB C 13 39.592 . . . . . . . . . . . 6141 1 490 . 1 1 121 121 TRP H H 1 7.375 . . 1 . . . . . . . . 6141 1 491 . 1 1 121 121 TRP N N 15 118.433 . . 1 . . . . . . . . 6141 1 492 . 1 1 121 121 TRP CA C 13 59.762 . . 1 . . . . . . . . 6141 1 493 . 1 1 121 121 TRP CB C 13 26.910 . . . . . . . . . . . 6141 1 494 . 1 1 122 122 LEU H H 1 7.115 . . 1 . . . . . . . . 6141 1 495 . 1 1 122 122 LEU N N 15 119.950 . . 1 . . . . . . . . 6141 1 496 . 1 1 122 122 LEU CA C 13 54.316 . . 1 . . . . . . . . 6141 1 497 . 1 1 122 122 LEU CB C 13 38.885 . . . . . . . . . . . 6141 1 498 . 1 1 122 122 LEU CD1 C 13 20.832 . . . . . . . . . . . 6141 1 499 . 1 1 122 122 LEU CD2 C 13 24.573 . . . . . . . . . . . 6141 1 500 . 1 1 123 123 ASP H H 1 7.563 . . 1 . . . . . . . . 6141 1 501 . 1 1 123 123 ASP N N 15 122.826 . . 1 . . . . . . . . 6141 1 502 . 1 1 123 123 ASP CA C 13 55.872 . . 1 . . . . . . . . 6141 1 503 . 1 1 123 123 ASP CB C 13 39.294 . . . . . . . . . . . 6141 1 504 . 1 1 124 124 GLY H H 1 9.510 . . 1 . . . . . . . . 6141 1 505 . 1 1 124 124 GLY N N 15 111.488 . . 1 . . . . . . . . 6141 1 506 . 1 1 124 124 GLY CA C 13 44.981 . . 1 . . . . . . . . 6141 1 507 . 1 1 125 125 LYS H H 1 7.874 . . 1 . . . . . . . . 6141 1 508 . 1 1 125 125 LYS N N 15 115.604 . . 1 . . . . . . . . 6141 1 509 . 1 1 125 125 LYS CA C 13 56.321 . . 1 . . . . . . . . 6141 1 510 . 1 1 125 125 LYS CB C 13 35.304 . . . . . . . . . . . 6141 1 511 . 1 1 125 125 LYS CG C 13 24.544 . . . . . . . . . . . 6141 1 512 . 1 1 125 125 LYS CD C 13 28.581 . . . . . . . . . . . 6141 1 513 . 1 1 125 125 LYS CE C 13 41.679 . . . . . . . . . . . 6141 1 514 . 1 1 126 126 HIS H H 1 7.524 . . 1 . . . . . . . . 6141 1 515 . 1 1 126 126 HIS N N 15 119.225 . . 1 . . . . . . . . 6141 1 516 . 1 1 126 126 HIS CA C 13 54.977 . . 1 . . . . . . . . 6141 1 517 . 1 1 126 126 HIS CB C 13 31.765 . . . . . . . . . . . 6141 1 518 . 1 1 127 127 VAL H H 1 8.559 . . 1 . . . . . . . . 6141 1 519 . 1 1 127 127 VAL N N 15 124.637 . . 1 . . . . . . . . 6141 1 520 . 1 1 127 127 VAL CA C 13 63.667 . . 1 . . . . . . . . 6141 1 521 . 1 1 127 127 VAL CB C 13 33.346 . . . . . . . . . . . 6141 1 522 . 1 1 127 127 VAL CG1 C 13 20.192 . . . . . . . . . . . 6141 1 523 . 1 1 128 128 VAL H H 1 9.647 . . 1 . . . . . . . . 6141 1 524 . 1 1 128 128 VAL N N 15 133.655 . . 1 . . . . . . . . 6141 1 525 . 1 1 128 128 VAL CA C 13 62.823 . . 1 . . . . . . . . 6141 1 526 . 1 1 128 128 VAL CB C 13 30.980 . . . . . . . . . . . 6141 1 527 . 1 1 128 128 VAL CG1 C 13 16.719 . . . . . . . . . . . 6141 1 528 . 1 1 129 129 PHE H H 1 8.233 . . 1 . . . . . . . . 6141 1 529 . 1 1 129 129 PHE N N 15 117.705 . . 1 . . . . . . . . 6141 1 530 . 1 1 129 129 PHE CA C 13 55.229 . . 1 . . . . . . . . 6141 1 531 . 1 1 129 129 PHE CB C 13 41.992 . . . . . . . . . . . 6141 1 532 . 1 1 130 130 GLY H H 1 7.289 . . 1 . . . . . . . . 6141 1 533 . 1 1 130 130 GLY N N 15 107.433 . . 1 . . . . . . . . 6141 1 534 . 1 1 130 130 GLY CA C 13 46.844 . . 1 . . . . . . . . 6141 1 535 . 1 1 131 131 HIS H H 1 8.463 . . 1 . . . . . . . . 6141 1 536 . 1 1 131 131 HIS N N 15 118.887 . . 1 . . . . . . . . 6141 1 537 . 1 1 131 131 HIS CA C 13 55.407 . . 1 . . . . . . . . 6141 1 538 . 1 1 131 131 HIS CB C 13 34.531 . . . . . . . . . . . 6141 1 539 . 1 1 132 132 VAL H H 1 8.688 . . 1 . . . . . . . . 6141 1 540 . 1 1 132 132 VAL N N 15 122.755 . . 1 . . . . . . . . 6141 1 541 . 1 1 132 132 VAL CA C 13 64.115 . . 1 . . . . . . . . 6141 1 542 . 1 1 132 132 VAL CB C 13 32.280 . . . . . . . . . . . 6141 1 543 . 1 1 132 132 VAL CG1 C 13 21.454 . . . . . . . . . . . 6141 1 544 . 1 1 133 133 LYS H H 1 9.601 . . 1 . . . . . . . . 6141 1 545 . 1 1 133 133 LYS N N 15 132.098 . . 1 . . . . . . . . 6141 1 546 . 1 1 133 133 LYS CA C 13 56.435 . . 1 . . . . . . . . 6141 1 547 . 1 1 133 133 LYS CB C 13 35.052 . . . . . . . . . . . 6141 1 548 . 1 1 133 133 LYS CG C 13 24.226 . . . . . . . . . . . 6141 1 549 . 1 1 133 133 LYS CD C 13 28.355 . . . . . . . . . . . 6141 1 550 . 1 1 133 133 LYS CE C 13 41.305 . . . . . . . . . . . 6141 1 551 . 1 1 134 134 GLU H H 1 7.914 . . 1 . . . . . . . . 6141 1 552 . 1 1 134 134 GLU N N 15 115.734 . . 1 . . . . . . . . 6141 1 553 . 1 1 134 134 GLU CA C 13 44.348 . . 1 . . . . . . . . 6141 1 554 . 1 1 134 134 GLU CB C 13 33.652 . . . . . . . . . . . 6141 1 555 . 1 1 134 134 GLU CG C 13 35.293 . . . . . . . . . . . 6141 1 556 . 1 1 135 135 GLY H H 1 8.864 . . 1 . . . . . . . . 6141 1 557 . 1 1 135 135 GLY N N 15 109.093 . . 1 . . . . . . . . 6141 1 558 . 1 1 135 135 GLY CA C 13 46.215 . . 1 . . . . . . . . 6141 1 559 . 1 1 136 136 MET H H 1 9.016 . . 1 . . . . . . . . 6141 1 560 . 1 1 136 136 MET N N 15 122.555 . . 1 . . . . . . . . 6141 1 561 . 1 1 136 136 MET CA C 13 56.688 . . 1 . . . . . . . . 6141 1 562 . 1 1 136 136 MET CB C 13 29.725 . . . . . . . . . . . 6141 1 563 . 1 1 136 136 MET CG C 13 32.394 . . . . . . . . . . . 6141 1 564 . 1 1 137 137 ASP H H 1 9.165 . . 1 . . . . . . . . 6141 1 565 . 1 1 137 137 ASP N N 15 116.781 . . 1 . . . . . . . . 6141 1 566 . 1 1 137 137 ASP CA C 13 56.695 . . 1 . . . . . . . . 6141 1 567 . 1 1 137 137 ASP CB C 13 38.870 . . . . . . . . . . . 6141 1 568 . 1 1 138 138 VAL H H 1 7.469 . . 1 . . . . . . . . 6141 1 569 . 1 1 138 138 VAL N N 15 124.038 . . 1 . . . . . . . . 6141 1 570 . 1 1 138 138 VAL CA C 13 66.019 . . 1 . . . . . . . . 6141 1 571 . 1 1 138 138 VAL CB C 13 30.154 . . . . . . . . . . . 6141 1 572 . 1 1 139 139 VAL H H 1 7.551 . . 1 . . . . . . . . 6141 1 573 . 1 1 139 139 VAL N N 15 120.937 . . 1 . . . . . . . . 6141 1 574 . 1 1 139 139 VAL CA C 13 66.918 . . 1 . . . . . . . . 6141 1 575 . 1 1 139 139 VAL CB C 13 30.800 . . . . . . . . . . . 6141 1 576 . 1 1 139 139 VAL CG1 C 13 23.026 . . . . . . . . . . . 6141 1 577 . 1 1 139 139 VAL CG2 C 13 21.111 . . . . . . . . . . . 6141 1 578 . 1 1 140 140 LYS H H 1 8.151 . . 1 . . . . . . . . 6141 1 579 . 1 1 140 140 LYS N N 15 117.307 . . 1 . . . . . . . . 6141 1 580 . 1 1 140 140 LYS CA C 13 57.849 . . 1 . . . . . . . . 6141 1 581 . 1 1 140 140 LYS CB C 13 30.513 . . . . . . . . . . . 6141 1 582 . 1 1 140 140 LYS CG C 13 23.524 . . . . . . . . . . . 6141 1 583 . 1 1 140 140 LYS CD C 13 26.075 . . . . . . . . . . . 6141 1 584 . 1 1 140 140 LYS CE C 13 40.597 . . . . . . . . . . . 6141 1 585 . 1 1 141 141 LYS H H 1 7.550 . . 1 . . . . . . . . 6141 1 586 . 1 1 141 141 LYS N N 15 120.955 . . 1 . . . . . . . . 6141 1 587 . 1 1 141 141 LYS CA C 13 59.443 . . 1 . . . . . . . . 6141 1 588 . 1 1 141 141 LYS CB C 13 32.548 . . . . . . . . . . . 6141 1 589 . 1 1 141 141 LYS CG C 13 24.758 . . . . . . . . . . . 6141 1 590 . 1 1 141 141 LYS CD C 13 29.367 . . . . . . . . . . . 6141 1 591 . 1 1 141 141 LYS CE C 13 41.574 . . . . . . . . . . . 6141 1 592 . 1 1 142 142 ILE H H 1 8.143 . . 1 . . . . . . . . 6141 1 593 . 1 1 142 142 ILE N N 15 120.951 . . 1 . . . . . . . . 6141 1 594 . 1 1 142 142 ILE CA C 13 66.953 . . 1 . . . . . . . . 6141 1 595 . 1 1 142 142 ILE CB C 13 37.978 . . . . . . . . . . . 6141 1 596 . 1 1 143 143 GLU H H 1 8.214 . . 1 . . . . . . . . 6141 1 597 . 1 1 143 143 GLU N N 15 117.661 . . 1 . . . . . . . . 6141 1 598 . 1 1 143 143 GLU CA C 13 58.741 . . 1 . . . . . . . . 6141 1 599 . 1 1 143 143 GLU CB C 13 30.574 . . . . . . . . . . . 6141 1 600 . 1 1 143 143 GLU CG C 13 35.928 . . . . . . . . . . . 6141 1 601 . 1 1 144 144 SER H H 1 7.340 . . 1 . . . . . . . . 6141 1 602 . 1 1 144 144 SER N N 15 113.530 . . 1 . . . . . . . . 6141 1 603 . 1 1 144 144 SER CA C 13 60.918 . . 1 . . . . . . . . 6141 1 604 . 1 1 144 144 SER CB C 13 62.816 . . . . . . . . . . . 6141 1 605 . 1 1 145 145 PHE H H 1 7.717 . . 1 . . . . . . . . 6141 1 606 . 1 1 145 145 PHE N N 15 119.714 . . 1 . . . . . . . . 6141 1 607 . 1 1 145 145 PHE CA C 13 57.553 . . 1 . . . . . . . . 6141 1 608 . 1 1 145 145 PHE CB C 13 39.231 . . . . . . . . . . . 6141 1 609 . 1 1 146 146 GLY H H 1 7.816 . . 1 . . . . . . . . 6141 1 610 . 1 1 146 146 GLY N N 15 105.309 . . 1 . . . . . . . . 6141 1 611 . 1 1 146 146 GLY CA C 13 44.278 . . 1 . . . . . . . . 6141 1 612 . 1 1 147 147 SER H H 1 8.244 . . 1 . . . . . . . . 6141 1 613 . 1 1 147 147 SER N N 15 110.059 . . 1 . . . . . . . . 6141 1 614 . 1 1 147 147 SER CA C 13 57.928 . . 1 . . . . . . . . 6141 1 615 . 1 1 147 147 SER CB C 13 66.182 . . . . . . . . . . . 6141 1 616 . 1 1 150 150 GLY H H 1 8.090 . . 1 . . . . . . . . 6141 1 617 . 1 1 150 150 GLY N N 15 113.365 . . 1 . . . . . . . . 6141 1 618 . 1 1 150 150 GLY CA C 13 44.443 . . 1 . . . . . . . . 6141 1 619 . 1 1 151 151 LYS H H 1 7.295 . . 1 . . . . . . . . 6141 1 620 . 1 1 151 151 LYS N N 15 119.568 . . 1 . . . . . . . . 6141 1 621 . 1 1 151 151 LYS CA C 13 56.650 . . 1 . . . . . . . . 6141 1 622 . 1 1 151 151 LYS CB C 13 32.716 . . . . . . . . . . . 6141 1 623 . 1 1 151 151 LYS CG C 13 23.990 . . . . . . . . . . . 6141 1 624 . 1 1 151 151 LYS CD C 13 28.440 . . . . . . . . . . . 6141 1 625 . 1 1 151 151 LYS CE C 13 41.592 . . . . . . . . . . . 6141 1 626 . 1 1 152 152 THR H H 1 8.770 . . 1 . . . . . . . . 6141 1 627 . 1 1 152 152 THR N N 15 116.626 . . 1 . . . . . . . . 6141 1 628 . 1 1 152 152 THR CA C 13 59.776 . . 1 . . . . . . . . 6141 1 629 . 1 1 152 152 THR CB C 13 71.238 . . . . . . . . . . . 6141 1 630 . 1 1 152 152 THR CG2 C 13 21.504 . . . . . . . . . . . 6141 1 631 . 1 1 153 153 SER H H 1 9.418 . . 1 . . . . . . . . 6141 1 632 . 1 1 153 153 SER N N 15 116.579 . . 1 . . . . . . . . 6141 1 633 . 1 1 153 153 SER CA C 13 58.930 . . 1 . . . . . . . . 6141 1 634 . 1 1 153 153 SER CB C 13 63.532 . . . . . . . . . . . 6141 1 635 . 1 1 154 154 LYS H H 1 7.364 . . 1 . . . . . . . . 6141 1 636 . 1 1 154 154 LYS N N 15 118.384 . . 1 . . . . . . . . 6141 1 637 . 1 1 154 154 LYS CA C 13 54.330 . . 1 . . . . . . . . 6141 1 638 . 1 1 154 154 LYS CB C 13 38.136 . . . . . . . . . . . 6141 1 639 . 1 1 154 154 LYS CG C 13 24.954 . . . . . . . . . . . 6141 1 640 . 1 1 154 154 LYS CD C 13 28.604 . . . . . . . . . . . 6141 1 641 . 1 1 154 154 LYS CE C 13 41.683 . . . . . . . . . . . 6141 1 642 . 1 1 155 155 LYS H H 1 8.866 . . 1 . . . . . . . . 6141 1 643 . 1 1 155 155 LYS N N 15 123.525 . . 1 . . . . . . . . 6141 1 644 . 1 1 155 155 LYS CA C 13 56.829 . . 1 . . . . . . . . 6141 1 645 . 1 1 155 155 LYS CB C 13 31.986 . . . . . . . . . . . 6141 1 646 . 1 1 155 155 LYS CG C 13 24.112 . . . . . . . . . . . 6141 1 647 . 1 1 155 155 LYS CD C 13 28.533 . . . . . . . . . . . 6141 1 648 . 1 1 155 155 LYS CE C 13 41.079 . . . . . . . . . . . 6141 1 649 . 1 1 156 156 ILE H H 1 9.304 . . 1 . . . . . . . . 6141 1 650 . 1 1 156 156 ILE N N 15 132.316 . . 1 . . . . . . . . 6141 1 651 . 1 1 156 156 ILE CA C 13 59.435 . . 1 . . . . . . . . 6141 1 652 . 1 1 156 156 ILE CB C 13 36.879 . . . . . . . . . . . 6141 1 653 . 1 1 156 156 ILE CG2 C 13 18.767 . . . . . . . . . . . 6141 1 654 . 1 1 156 156 ILE CD1 C 13 12.750 . . . . . . . . . . . 6141 1 655 . 1 1 157 157 VAL H H 1 8.891 . . 1 . . . . . . . . 6141 1 656 . 1 1 157 157 VAL N N 15 127.690 . . 1 . . . . . . . . 6141 1 657 . 1 1 157 157 VAL CA C 13 60.970 . . 1 . . . . . . . . 6141 1 658 . 1 1 157 157 VAL CB C 13 36.179 . . . . . . . . . . . 6141 1 659 . 1 1 157 157 VAL CG1 C 13 19.700 . . . . . . . . . . . 6141 1 660 . 1 1 157 157 VAL CG2 C 13 21.630 . . . . . . . . . . . 6141 1 661 . 1 1 158 158 ILE H H 1 9.109 . . 1 . . . . . . . . 6141 1 662 . 1 1 158 158 ILE N N 15 126.609 . . 1 . . . . . . . . 6141 1 663 . 1 1 158 158 ILE CA C 13 60.839 . . 1 . . . . . . . . 6141 1 664 . 1 1 158 158 ILE CB C 13 37.090 . . . . . . . . . . . 6141 1 665 . 1 1 158 158 ILE CG2 C 13 18.440 . . . . . . . . . . . 6141 1 666 . 1 1 158 158 ILE CD1 C 13 12.603 . . . . . . . . . . . 6141 1 667 . 1 1 159 159 THR H H 1 8.826 . . 1 . . . . . . . . 6141 1 668 . 1 1 159 159 THR N N 15 123.671 . . 1 . . . . . . . . 6141 1 669 . 1 1 159 159 THR CA C 13 64.124 . . 1 . . . . . . . . 6141 1 670 . 1 1 159 159 THR CB C 13 68.105 . . . . . . . . . . . 6141 1 671 . 1 1 159 159 THR CG2 C 13 21.520 . . . . . . . . . . . 6141 1 672 . 1 1 160 160 ASP H H 1 8.112 . . 1 . . . . . . . . 6141 1 673 . 1 1 160 160 ASP N N 15 116.523 . . 1 . . . . . . . . 6141 1 674 . 1 1 160 160 ASP CA C 13 53.581 . . 1 . . . . . . . . 6141 1 675 . 1 1 160 160 ASP CB C 13 44.470 . . . . . . . . . . . 6141 1 676 . 1 1 161 161 CYS H H 1 8.297 . . 1 . . . . . . . . 6141 1 677 . 1 1 161 161 CYS N N 15 120.683 . . 1 . . . . . . . . 6141 1 678 . 1 1 161 161 CYS CA C 13 55.235 . . 1 . . . . . . . . 6141 1 679 . 1 1 161 161 CYS CB C 13 30.615 . . . . . . . . . . . 6141 1 680 . 1 1 162 162 GLY H H 1 6.586 . . 1 . . . . . . . . 6141 1 681 . 1 1 162 162 GLY N N 15 101.598 . . 1 . . . . . . . . 6141 1 682 . 1 1 162 162 GLY CA C 13 45.463 . . 1 . . . . . . . . 6141 1 683 . 1 1 163 163 GLN H H 1 9.113 . . 1 . . . . . . . . 6141 1 684 . 1 1 163 163 GLN N N 15 120.876 . . 1 . . . . . . . . 6141 1 685 . 1 1 163 163 GLN CA C 13 54.683 . . 1 . . . . . . . . 6141 1 686 . 1 1 163 163 GLN CB C 13 30.677 . . . . . . . . . . . 6141 1 687 . 1 1 163 163 GLN CG C 13 32.321 . . . . . . . . . . . 6141 1 688 . 1 1 164 164 LEU H H 1 9.089 . . 1 . . . . . . . . 6141 1 689 . 1 1 164 164 LEU N N 15 127.248 . . 1 . . . . . . . . 6141 1 690 . 1 1 164 164 LEU CA C 13 55.551 . . 1 . . . . . . . . 6141 1 691 . 1 1 164 164 LEU CB C 13 43.380 . . . . . . . . . . . 6141 1 692 . 1 1 164 164 LEU CD1 C 13 22.597 . . . . . . . . . . . 6141 1 693 . 1 1 164 164 LEU CD2 C 13 25.770 . . . . . . . . . . . 6141 1 694 . 1 1 165 165 SER H H 1 8.118 . . 1 . . . . . . . . 6141 1 695 . 1 1 165 165 SER N N 15 120.468 . . 1 . . . . . . . . 6141 1 696 . 1 1 165 165 SER CA C 13 59.915 . . 1 . . . . . . . . 6141 1 697 . 1 1 165 165 SER CB C 13 64.239 . . . . . . . . . . . 6141 1 stop_ save_