data_12014 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone 1H, 13C, and 15N Chemical Shift Assignments for cyclophilin 1 from Trichomonas vaginalis ; _BMRB_accession_number 12014 _BMRB_flat_file_name bmr12014.str _Entry_type original _Submission_date 2017-11-22 _Accession_date 2017-11-26 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details 'For further investigation of the interaction of cyclophilin 1 with Myb1 transcription factor using NMR' loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Martin Tesmine . . 2 Wei Shu-Yi . . 3 Chen Chinpan . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 160 "13C chemical shifts" 289 "15N chemical shifts" 160 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2018-12-11 original BMRB . stop_ _Original_release_date 2017-11-26 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Structural basis of interaction between dimeric cyclophilin 1 and Myb1 transcription factor in Trichomonas vaginalis. ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 29615721 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Martin Tesmine . . 2 Lou Yuan-Chao . . 3 Chou Chun-Chi . . 4 Wei Shu-Yi . . 5 Sadotra Sushant . . 6 Cho Chao-Cheng . . 7 Lin Meng-Hsuan . . 8 Tai Jung-Hsiang . . 9 Hsu Chun-Hua . . 10 Chen Chinpan . . stop_ _Journal_abbreviation 'Sci. Rep.' _Journal_name_full 'Scientific reports' _Journal_volume 8 _Journal_issue 1 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 5410 _Page_last 5410 _Year 2018 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'TvCyP1 homodimer' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'protomer 1' $TvCyP1 'protomer 2' $TvCyP1 stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_TvCyP1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common TvCyP1 _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 175 _Mol_residue_sequence ; GSMLKRPKTFFDISIRGDKV GKIVFELFNDIVPKTAENFR ALCTGEKGIGKSGMPLSYKG TMFHRIIPQFMIQGGDFTRF NGTGGESIYGMKFDDENFKV KHDKPGLLSMANAGPNTNGS QFFITTVETPWLDGHHCVFG QVIEGMDIVKQIESCGTESG RPRAMCMVTDCGEMK ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 . GLY 2 . SER 3 1 MET 4 2 LEU 5 3 LYS 6 4 ARG 7 5 PRO 8 6 LYS 9 7 THR 10 8 PHE 11 9 PHE 12 10 ASP 13 11 ILE 14 12 SER 15 13 ILE 16 14 ARG 17 15 GLY 18 16 ASP 19 17 LYS 20 18 VAL 21 19 GLY 22 20 LYS 23 21 ILE 24 22 VAL 25 23 PHE 26 24 GLU 27 25 LEU 28 26 PHE 29 27 ASN 30 28 ASP 31 29 ILE 32 30 VAL 33 31 PRO 34 32 LYS 35 33 THR 36 34 ALA 37 35 GLU 38 36 ASN 39 37 PHE 40 38 ARG 41 39 ALA 42 40 LEU 43 41 CYS 44 42 THR 45 43 GLY 46 44 GLU 47 45 LYS 48 46 GLY 49 47 ILE 50 48 GLY 51 49 LYS 52 50 SER 53 51 GLY 54 52 MET 55 53 PRO 56 54 LEU 57 55 SER 58 56 TYR 59 57 LYS 60 58 GLY 61 59 THR 62 60 MET 63 61 PHE 64 62 HIS 65 63 ARG 66 64 ILE 67 65 ILE 68 66 PRO 69 67 GLN 70 68 PHE 71 69 MET 72 70 ILE 73 71 GLN 74 72 GLY 75 73 GLY 76 74 ASP 77 75 PHE 78 76 THR 79 77 ARG 80 78 PHE 81 79 ASN 82 80 GLY 83 81 THR 84 82 GLY 85 83 GLY 86 84 GLU 87 85 SER 88 86 ILE 89 87 TYR 90 88 GLY 91 89 MET 92 90 LYS 93 91 PHE 94 92 ASP 95 93 ASP 96 94 GLU 97 95 ASN 98 96 PHE 99 97 LYS 100 98 VAL 101 99 LYS 102 100 HIS 103 101 ASP 104 102 LYS 105 103 PRO 106 104 GLY 107 105 LEU 108 106 LEU 109 107 SER 110 108 MET 111 109 ALA 112 110 ASN 113 111 ALA 114 112 GLY 115 113 PRO 116 114 ASN 117 115 THR 118 116 ASN 119 117 GLY 120 118 SER 121 119 GLN 122 120 PHE 123 121 PHE 124 122 ILE 125 123 THR 126 124 THR 127 125 VAL 128 126 GLU 129 127 THR 130 128 PRO 131 129 TRP 132 130 LEU 133 131 ASP 134 132 GLY 135 133 HIS 136 134 HIS 137 135 CYS 138 136 VAL 139 137 PHE 140 138 GLY 141 139 GLN 142 140 VAL 143 141 ILE 144 142 GLU 145 143 GLY 146 144 MET 147 145 ASP 148 146 ILE 149 147 VAL 150 148 LYS 151 149 GLN 152 150 ILE 153 151 GLU 154 152 SER 155 153 CYS 156 154 GLY 157 155 THR 158 156 GLU 159 157 SER 160 158 GLY 161 159 ARG 162 160 PRO 163 161 ARG 164 162 ALA 165 163 MET 166 164 CYS 167 165 MET 168 166 VAL 169 167 THR 170 168 ASP 171 169 CYS 172 170 GLY 173 171 GLU 174 172 MET 175 173 LYS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $TvCyP1 'Trichomonas vaginalis' 5722 Eukaryota . Trichomonas vaginalis stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $TvCyP1 'recombinant technology' . Escherichia coli . 'pET 28a' stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $TvCyP1 0.5 mM '[U-13C; U-15N; U-2H]' 'sodium chloride' 50 mM 'natural abundance' 'sodium azide' 0.5 mM 'natural abundance' 'sodium phosphate' 20 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % [U-2H] stop_ save_ ############################ # Computer software used # ############################ save_NMRView _Saveframe_category software _Name NMRView _Version . loop_ _Vendor _Address _Electronic_address 'Johnson, One Moon Scientific' . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_3D_HNCA_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HNCACB_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.0 . pH temperature 310 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118 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_backbone_chem_shift_list_TvCyP1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '3D HNCA' '3D HNCACB' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'protomer 1' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 1 3 MET H H 8.4471 0.02 1 2 1 3 MET CA C 55.2650 0.2 1 3 1 3 MET N N 123.0995 0.2 1 4 2 4 LEU H H 8.1311 0.02 1 5 2 4 LEU CA C 54.7690 0.2 1 6 2 4 LEU CB C 41.5140 0.2 1 7 2 4 LEU N N 124.1533 0.2 1 8 3 5 LYS H H 8.2375 0.02 1 9 3 5 LYS CA C 55.1940 0.2 1 10 3 5 LYS CB C 32.1570 0.2 1 11 3 5 LYS N N 123.7726 0.2 1 12 4 6 ARG H H 8.3696 0.02 1 13 4 6 ARG CA C 54.2730 0.2 1 14 4 6 ARG CB C 29.8180 0.2 1 15 4 6 ARG N N 125.5874 0.2 1 16 5 7 PRO CA C 62.1410 0.2 1 17 5 7 PRO CB C 31.6610 0.2 1 18 6 8 LYS H H 8.5207 0.02 1 19 6 8 LYS CA C 53.9890 0.2 1 20 6 8 LYS CB C 35.2760 0.2 1 21 6 8 LYS N N 119.7490 0.2 1 22 7 9 THR H H 8.7913 0.02 1 23 7 9 THR CA C 58.3130 0.2 1 24 7 9 THR CB C 71.8520 0.2 1 25 7 9 THR N N 111.9931 0.2 1 26 8 10 PHE H H 8.6278 0.02 1 27 8 10 PHE CA C 55.4070 0.2 1 28 8 10 PHE N N 114.4809 0.2 1 29 9 11 PHE H H 9.0175 0.02 1 30 9 11 PHE CA C 52.3700 0.2 1 31 9 11 PHE CB C 42.9310 0.2 1 32 9 11 PHE N N 116.0974 0.2 1 33 10 12 ASP H H 8.9909 0.02 1 34 10 12 ASP CA C 53.9890 0.2 1 35 10 12 ASP CB C 41.7260 0.2 1 36 10 12 ASP N N 124.7536 0.2 1 37 11 13 ILE H H 8.6752 0.02 1 38 11 13 ILE CA C 56.5410 0.2 1 39 11 13 ILE CB C 37.2610 0.2 1 40 11 13 ILE N N 122.8981 0.2 1 41 12 14 SER H H 9.2998 0.02 1 42 12 14 SER CA C 55.0520 0.2 1 43 12 14 SER CB C 66.2520 0.2 1 44 12 14 SER N N 122.3532 0.2 1 45 13 15 ILE H H 8.7796 0.02 1 46 13 15 ILE CA C 61.0770 0.2 1 47 13 15 ILE CB C 40.2380 0.2 1 48 13 15 ILE N N 123.2584 0.2 1 49 14 16 ARG H H 8.8112 0.02 1 50 14 16 ARG CA C 57.3200 0.2 1 51 14 16 ARG CB C 28.8960 0.2 1 52 14 16 ARG N N 127.1095 0.2 1 53 15 17 GLY H H 8.8175 0.02 1 54 15 17 GLY CA C 44.7030 0.2 1 55 15 17 GLY N N 102.6538 0.2 1 56 16 18 ASP H H 7.6360 0.02 1 57 16 18 ASP CA C 52.9970 0.2 1 58 16 18 ASP CB C 40.8760 0.2 1 59 16 18 ASP N N 121.5282 0.2 1 60 17 19 LYS H H 8.7015 0.02 1 61 17 19 LYS CA C 57.5330 0.2 1 62 17 19 LYS CB C 30.6680 0.2 1 63 17 19 LYS N N 124.5416 0.2 1 64 18 20 VAL H H 8.5235 0.02 1 65 18 20 VAL CA C 61.5740 0.2 1 66 18 20 VAL CB C 32.1570 0.2 1 67 18 20 VAL N N 119.0911 0.2 1 68 19 21 GLY H H 7.4230 0.02 1 69 19 21 GLY CA C 44.4200 0.2 1 70 19 21 GLY N N 107.4273 0.2 1 71 20 22 LYS H H 8.0566 0.02 1 72 20 22 LYS CA C 54.2020 0.2 1 73 20 22 LYS CB C 35.7010 0.2 1 74 20 22 LYS N N 120.6309 0.2 1 75 21 23 ILE H H 9.0452 0.02 1 76 21 23 ILE CA C 59.9560 0.2 1 77 21 23 ILE N N 122.8655 0.2 1 78 22 24 VAL H H 8.1972 0.02 1 79 22 24 VAL CA C 60.3290 0.2 1 80 22 24 VAL CB C 33.1780 0.2 1 81 22 24 VAL N N 125.1994 0.2 1 82 23 25 PHE H H 9.4023 0.02 1 83 23 25 PHE CA C 54.9810 0.2 1 84 23 25 PHE N N 127.0247 0.2 1 85 24 26 GLU H H 8.9305 0.02 1 86 24 26 GLU CA C 54.2020 0.2 1 87 24 26 GLU CB C 25.4940 0.2 1 88 24 26 GLU N N 120.2791 0.2 1 89 25 27 LEU H H 8.2231 0.02 1 90 25 27 LEU CA C 52.2170 0.2 1 91 25 27 LEU CB C 42.5060 0.2 1 92 25 27 LEU N N 122.7603 0.2 1 93 26 28 PHE H H 8.7653 0.02 1 94 26 28 PHE CA C 52.0000 0.2 1 95 26 28 PHE CB C 35.2210 0.2 1 96 26 28 PHE N N 122.1794 0.2 1 97 27 29 ASN H H 9.0425 0.02 1 98 27 29 ASN CA C 55.7610 0.2 1 99 27 29 ASN CB C 36.2680 0.2 1 100 27 29 ASN N N 124.7268 0.2 1 101 28 30 ASP H H 10.6519 0.02 1 102 28 30 ASP CA C 53.8470 0.2 1 103 28 30 ASP CB C 37.5440 0.2 1 104 28 30 ASP N N 115.2721 0.2 1 105 29 31 ILE H H 7.1459 0.02 1 106 29 31 ILE CA C 62.4950 0.2 1 107 29 31 ILE CB C 40.8050 0.2 1 108 29 31 ILE N N 119.2033 0.2 1 109 31 33 PRO CA C 65.5430 0.2 1 110 31 33 PRO CB C 33.6460 0.2 1 111 32 34 LYS H H 10.5052 0.02 1 112 32 34 LYS CA C 59.8010 0.2 1 113 32 34 LYS CB C 30.8100 0.2 1 114 32 34 LYS N N 122.5868 0.2 1 115 33 35 THR H H 10.3131 0.02 1 116 33 35 THR CA C 67.0320 0.2 1 117 33 35 THR CB C 68.2100 0.2 1 118 33 35 THR N N 124.9204 0.2 1 119 34 36 ALA H H 9.2262 0.02 1 120 34 36 ALA CA C 55.3350 0.2 1 121 34 36 ALA N N 125.7771 0.2 1 122 35 37 GLU H H 7.8806 0.02 1 123 35 37 GLU CA C 57.5330 0.2 1 124 35 37 GLU CB C 27.7620 0.2 1 125 35 37 GLU N N 117.7376 0.2 1 126 36 38 ASN H H 7.0282 0.02 1 127 36 38 ASN CA C 56.4000 0.2 1 128 36 38 ASN CB C 38.8900 0.2 1 129 36 38 ASN N N 115.9088 0.2 1 130 37 39 PHE H H 6.8350 0.02 1 131 37 39 PHE CA C 61.2190 0.2 1 132 37 39 PHE CB C 39.3870 0.2 1 133 37 39 PHE N N 117.0846 0.2 1 134 38 40 ARG H H 8.6666 0.02 1 135 38 40 ARG CA C 60.1730 0.2 1 136 38 40 ARG N N 119.5737 0.2 1 137 39 41 ALA H H 8.4932 0.02 1 138 39 41 ALA CA C 53.6730 0.2 1 139 39 41 ALA N N 118.3485 0.2 1 140 40 42 LEU H H 7.7908 0.02 1 141 40 42 LEU CA C 56.2871 0.2 1 142 40 42 LEU N N 122.5972 0.2 1 143 41 43 CYS H H 7.6001 0.02 1 144 41 43 CYS CA C 62.8400 0.2 1 145 41 43 CYS CB C 30.8811 0.2 1 146 41 43 CYS N N 116.7505 0.2 1 147 42 44 THR H H 7.7502 0.02 1 148 42 44 THR CA C 62.8470 0.2 1 149 42 44 THR CB C 69.0160 0.2 1 150 42 44 THR N N 107.8159 0.2 1 151 43 45 GLY H H 7.9864 0.02 1 152 43 45 GLY CA C 45.2700 0.2 1 153 43 45 GLY N N 110.7903 0.2 1 154 44 46 GLU H H 8.0724 0.02 1 155 44 46 GLU CA C 57.4620 0.2 1 156 44 46 GLU CB C 29.3220 0.2 1 157 44 46 GLU N N 117.5405 0.2 1 158 45 47 LYS H H 9.1834 0.02 1 159 45 47 LYS CA C 54.2020 0.2 1 160 45 47 LYS CB C 29.5340 0.2 1 161 45 47 LYS N N 119.8778 0.2 1 162 46 48 GLY H H 7.3707 0.02 1 163 46 48 GLY CA C 45.6250 0.2 1 164 46 48 GLY N N 106.4798 0.2 1 165 47 49 ILE H H 8.3998 0.02 1 166 47 49 ILE CA C 59.5900 0.2 1 167 47 49 ILE CB C 36.9060 0.2 1 168 47 49 ILE N N 126.2202 0.2 1 169 48 50 GLY H H 8.0257 0.02 1 170 48 50 GLY CA C 44.0650 0.2 1 171 48 50 GLY N N 113.6004 0.2 1 172 49 51 LYS H H 11.0097 0.02 1 173 49 51 LYS CA C 58.1000 0.2 1 174 49 51 LYS CB C 30.8100 0.2 1 175 49 51 LYS N N 126.5319 0.2 1 176 50 52 SER H H 9.2549 0.02 1 177 50 52 SER CA C 58.9510 0.2 1 178 50 52 SER CB C 63.4870 0.2 1 179 50 52 SER N N 113.9162 0.2 1 180 51 53 GLY H H 7.8756 0.02 1 181 51 53 GLY CA C 45.0000 0.2 1 182 51 53 GLY N N 108.8481 0.2 1 183 52 54 MET H H 7.5411 0.02 1 184 52 54 MET CA C 52.0000 0.2 1 185 52 54 MET CB C 31.9440 0.2 1 186 52 54 MET N N 119.1577 0.2 1 187 53 55 PRO CA C 62.4240 0.2 1 188 53 55 PRO CB C 30.5270 0.2 1 189 54 56 LEU H H 8.2626 0.02 1 190 54 56 LEU CA C 52.2456 0.2 1 191 54 56 LEU CB C 38.2013 0.2 1 192 54 56 LEU N N 126.1255 0.2 1 193 55 57 SER H H 5.9189 0.02 1 194 55 57 SER CA C 54.4529 0.2 1 195 55 57 SER CB C 63.6148 0.2 1 196 55 57 SER N N 115.3580 0.2 1 197 56 58 TYR H H 7.4366 0.02 1 198 56 58 TYR CA C 56.5860 0.2 1 199 56 58 TYR CB C 37.1190 0.2 1 200 56 58 TYR N N 122.7524 0.2 1 201 57 59 LYS H H 8.5885 0.02 1 202 57 59 LYS CA C 59.4470 0.2 1 203 57 59 LYS CB C 31.0230 0.2 1 204 57 59 LYS N N 127.5520 0.2 1 205 58 60 GLY H H 8.8956 0.02 1 206 58 60 GLY CA C 44.7030 0.2 1 207 58 60 GLY N N 115.3332 0.2 1 208 60 62 MET H H 9.0080 0.02 1 209 60 62 MET CA C 52.4300 0.2 1 210 60 62 MET CB C 34.2130 0.2 1 211 60 62 MET N N 115.4278 0.2 1 212 61 63 PHE H H 7.9548 0.02 1 213 61 63 PHE CA C 58.3130 0.2 1 214 61 63 PHE CB C 36.9770 0.2 1 215 61 63 PHE N N 121.5807 0.2 1 216 62 64 HIS H H 7.3027 0.02 1 217 62 64 HIS CA C 57.1080 0.2 1 218 62 64 HIS CB C 30.8810 0.2 1 219 62 64 HIS N N 120.4121 0.2 1 220 63 65 ARG H H 6.8140 0.02 1 221 63 65 ARG CA C 54.6980 0.2 1 222 63 65 ARG CB C 32.0860 0.2 1 223 63 65 ARG N N 123.3632 0.2 1 224 64 66 ILE H H 8.9762 0.02 1 225 64 66 ILE CA C 60.9360 0.2 1 226 64 66 ILE CB C 41.7260 0.2 1 227 64 66 ILE N N 127.7635 0.2 1 228 65 67 ILE H H 8.6045 0.02 1 229 65 67 ILE CA C 57.1790 0.2 1 230 65 67 ILE CB C 39.3870 0.2 1 231 65 67 ILE N N 127.5972 0.2 1 232 67 69 GLN H H 9.4797 0.02 1 233 67 69 GLN CA C 57.1080 0.2 1 234 67 69 GLN CB C 25.4230 0.2 1 235 67 69 GLN N N 116.7883 0.2 1 236 68 70 PHE H H 7.5787 0.02 1 237 68 70 PHE CA C 57.4620 0.2 1 238 68 70 PHE CB C 38.3240 0.2 1 239 68 70 PHE N N 114.5521 0.2 1 240 69 71 MET H H 8.2290 0.02 1 241 69 71 MET CA C 54.1310 0.2 1 242 69 71 MET CB C 34.0000 0.2 1 243 69 71 MET N N 112.3974 0.2 1 244 70 72 ILE H H 8.2044 0.02 1 245 70 72 ILE CA C 59.5890 0.2 1 246 70 72 ILE CB C 39.3870 0.2 1 247 70 72 ILE N N 113.0483 0.2 1 248 71 73 GLN H H 9.0341 0.02 1 249 71 73 GLN CA C 53.9890 0.2 1 250 71 73 GLN CB C 30.8100 0.2 1 251 71 73 GLN N N 126.5830 0.2 1 252 72 74 GLY H H 7.4550 0.02 1 253 72 74 GLY CA C 44.4200 0.2 1 254 72 74 GLY N N 110.5216 0.2 1 255 73 75 GLY H H 8.7814 0.02 1 256 73 75 GLY CA C 46.4040 0.2 1 257 73 75 GLY N N 105.1676 0.2 1 258 74 76 ASP H H 9.2997 0.02 1 259 74 76 ASP CA C 52.1460 0.2 1 260 74 76 ASP CB C 39.1740 0.2 1 261 74 76 ASP N N 121.9819 0.2 1 262 75 77 PHE H H 6.1236 0.02 1 263 75 77 PHE CA C 55.4070 0.2 1 264 75 77 PHE CB C 37.7570 0.2 1 265 75 77 PHE N N 118.0999 0.2 1 266 76 78 THR H H 7.4333 0.02 1 267 76 78 THR CA C 61.2190 0.2 1 268 76 78 THR CB C 68.8040 0.2 1 269 76 78 THR N N 107.9474 0.2 1 270 77 79 ARG H H 8.7287 0.02 1 271 77 79 ARG CA C 54.3280 0.2 1 272 77 79 ARG N N 123.0586 0.2 1 273 78 80 PHE H H 6.2497 0.02 1 274 78 80 PHE CA C 58.9610 0.2 1 275 78 80 PHE CB C 35.1340 0.2 1 276 78 80 PHE N N 111.4170 0.2 1 277 79 81 ASN H H 7.3674 0.02 1 278 79 81 ASN CA C 52.2140 0.2 1 279 79 81 ASN CB C 38.2530 0.2 1 280 79 81 ASN N N 111.8832 0.2 1 281 80 82 GLY H H 9.3921 0.02 1 282 80 82 GLY CA C 44.2070 0.2 1 283 80 82 GLY N N 110.1860 0.2 1 284 81 83 THR H H 7.8583 0.02 1 285 81 83 THR CA C 61.8520 0.2 1 286 81 83 THR CB C 70.0790 0.2 1 287 81 83 THR N N 112.4374 0.2 1 288 82 84 GLY H H 8.5194 0.02 1 289 82 84 GLY CA C 44.2070 0.2 1 290 82 84 GLY N N 113.7724 0.2 1 291 83 85 GLY H H 8.3008 0.02 1 292 83 85 GLY CA C 42.6480 0.2 1 293 83 85 GLY N N 109.5798 0.2 1 294 84 86 GLU H H 6.5530 0.02 1 295 84 86 GLU CA C 56.1630 0.2 1 296 84 86 GLU CB C 31.8730 0.2 1 297 84 86 GLU N N 119.1698 0.2 1 298 85 87 SER H H 7.6857 0.02 1 299 85 87 SER CA C 56.9400 0.2 1 300 85 87 SER CB C 68.6619 0.2 1 301 85 87 SER N N 117.1082 0.2 1 302 86 88 ILE H H 8.5412 0.02 1 303 86 88 ILE CA C 63.5580 0.2 1 304 86 88 ILE CB C 36.1970 0.2 1 305 86 88 ILE N N 112.6698 0.2 1 306 87 89 TYR H H 7.8669 0.02 1 307 87 89 TYR CA C 55.7600 0.2 1 308 87 89 TYR CB C 37.9690 0.2 1 309 87 89 TYR N N 120.3869 0.2 1 310 88 90 GLY H H 7.0832 0.02 1 311 88 90 GLY CA C 43.2860 0.2 1 312 88 90 GLY N N 106.6757 0.2 1 313 90 92 LYS H H 7.7071 0.02 1 314 90 92 LYS CA C 53.5510 0.2 1 315 90 92 LYS N N 110.8397 0.2 1 316 91 93 PHE H H 8.7449 0.02 1 317 91 93 PHE CA C 55.7900 0.2 1 318 91 93 PHE CB C 41.0880 0.2 1 319 91 93 PHE N N 115.8774 0.2 1 320 92 94 ASP H H 8.2452 0.02 1 321 92 94 ASP CA C 54.2020 0.2 1 322 92 94 ASP CB C 39.6710 0.2 1 323 92 94 ASP N N 120.6773 0.2 1 324 93 95 ASP H H 8.7896 0.02 1 325 93 95 ASP CA C 54.5460 0.2 1 326 93 95 ASP CB C 41.3010 0.2 1 327 93 95 ASP N N 118.7718 0.2 1 328 94 96 GLU H H 9.1613 0.02 1 329 94 96 GLU CA C 59.1630 0.2 1 330 94 96 GLU CB C 30.5980 0.2 1 331 94 96 GLU N N 130.6946 0.2 1 332 95 97 ASN H H 6.8921 0.02 1 333 95 97 ASN CA C 52.6420 0.2 1 334 95 97 ASN CB C 39.0330 0.2 1 335 95 97 ASN N N 106.8940 0.2 1 336 96 98 PHE H H 8.3042 0.02 1 337 96 98 PHE CA C 55.1230 0.2 1 338 96 98 PHE CB C 37.5440 0.2 1 339 96 98 PHE N N 115.4952 0.2 1 340 97 99 LYS H H 8.2012 0.02 1 341 97 99 LYS CA C 59.4470 0.2 1 342 97 99 LYS CB C 32.2990 0.2 1 343 97 99 LYS N N 119.6903 0.2 1 344 98 100 VAL H H 7.6421 0.02 1 345 98 100 VAL CA C 62.2820 0.2 1 346 98 100 VAL CB C 31.0230 0.2 1 347 98 100 VAL N N 117.8400 0.2 1 348 99 101 LYS H H 8.2667 0.02 1 349 99 101 LYS CA C 54.7690 0.2 1 350 99 101 LYS CB C 32.5820 0.2 1 351 99 101 LYS N N 126.6798 0.2 1 352 100 102 HIS H H 10.6768 0.02 1 353 100 102 HIS CA C 55.2300 0.2 1 354 100 102 HIS N N 122.4838 0.2 1 355 101 103 ASP H H 7.7636 0.02 1 356 101 103 ASP CA C 52.8050 0.2 1 357 101 103 ASP N N 120.3166 0.2 1 358 102 104 LYS H H 7.3465 0.02 1 359 102 104 LYS CA C 53.8930 0.2 1 360 102 104 LYS CB C 31.7320 0.2 1 361 102 104 LYS N N 114.3211 0.2 1 362 103 105 PRO CA C 61.9280 0.2 1 363 103 105 PRO CB C 31.7320 0.2 1 364 104 106 GLY H H 8.4160 0.02 1 365 104 106 GLY CA C 45.9080 0.2 1 366 104 106 GLY N N 108.9203 0.2 1 367 105 107 LEU H H 7.3798 0.02 1 368 105 107 LEU CA C 53.3450 0.2 1 369 105 107 LEU N N 119.6940 0.2 1 370 107 109 SER H H 8.3177 0.02 1 371 107 109 SER CA C 54.5770 0.2 1 372 107 109 SER N N 117.5378 0.2 1 373 108 110 MET H H 8.1320 0.02 1 374 108 110 MET CA C 53.8470 0.2 1 375 108 110 MET CB C 30.0300 0.2 1 376 108 110 MET N N 123.5512 0.2 1 377 109 111 ALA H H 7.8826 0.02 1 378 109 111 ALA CA C 51.0830 0.2 1 379 109 111 ALA CB C 18.7600 0.2 1 380 109 111 ALA N N 126.8391 0.2 1 381 110 112 ASN H H 8.2268 0.02 1 382 110 112 ASN CA C 53.8470 0.2 1 383 110 112 ASN CB C 39.7410 0.2 1 384 110 112 ASN N N 114.6517 0.2 1 385 111 113 ALA H H 8.5924 0.02 1 386 111 113 ALA CA C 50.0900 0.2 1 387 111 113 ALA CB C 18.6890 0.2 1 388 111 113 ALA N N 123.6111 0.2 1 389 112 114 GLY H H 7.9245 0.02 1 390 112 114 GLY CA C 43.1440 0.2 1 391 112 114 GLY N N 109.3775 0.2 1 392 113 115 PRO CA C 63.5580 0.2 1 393 113 115 PRO CB C 29.5340 0.2 1 394 114 116 ASN H H 8.7916 0.02 1 395 114 116 ASN CA C 54.0600 0.2 1 396 114 116 ASN CB C 36.1970 0.2 1 397 114 116 ASN N N 119.5549 0.2 1 398 115 117 THR H H 9.9376 0.02 1 399 115 117 THR CA C 59.8010 0.2 1 400 115 117 THR CB C 68.4490 0.2 1 401 115 117 THR N N 110.5748 0.2 1 402 116 118 ASN H H 7.1339 0.02 1 403 116 118 ASN CA C 55.1940 0.2 1 404 116 118 ASN CB C 38.6070 0.2 1 405 116 118 ASN N N 120.6800 0.2 1 406 117 119 GLY H H 9.0267 0.02 1 407 117 119 GLY CA C 45.1290 0.2 1 408 117 119 GLY N N 110.9061 0.2 1 409 118 120 SER H H 8.6250 0.02 1 410 118 120 SER CA C 57.4620 0.2 1 411 118 120 SER CB C 65.9680 0.2 1 412 118 120 SER N N 117.8370 0.2 1 413 119 121 GLN H H 8.2699 0.02 1 414 119 121 GLN CA C 57.3210 0.2 1 415 119 121 GLN CB C 30.8800 0.2 1 416 119 121 GLN N N 124.4919 0.2 1 417 120 122 PHE H H 7.5566 0.02 1 418 120 122 PHE CA C 54.8400 0.2 1 419 120 122 PHE N N 117.8405 0.2 1 420 121 123 PHE H H 9.7254 0.02 1 421 121 123 PHE CA C 54.3600 0.2 1 422 121 123 PHE N N 117.2998 0.2 1 423 122 124 ILE H H 9.0997 0.02 1 424 122 124 ILE CA C 58.8670 0.2 1 425 122 124 ILE N N 119.5056 0.2 1 426 123 125 THR H H 9.0907 0.02 1 427 123 125 THR CA C 61.2300 0.2 1 428 123 125 THR N N 117.1656 0.2 1 429 124 126 THR H H 8.5082 0.02 1 430 124 126 THR CA C 60.7940 0.2 1 431 124 126 THR CB C 67.3150 0.2 1 432 124 126 THR N N 111.1706 0.2 1 433 125 127 VAL H H 7.7465 0.02 1 434 125 127 VAL CA C 59.0220 0.2 1 435 125 127 VAL CB C 36.6230 0.2 1 436 125 127 VAL N N 116.5474 0.2 1 437 126 128 GLU H H 8.9275 0.02 1 438 126 128 GLU CA C 58.0280 0.2 1 439 126 128 GLU CB C 27.9040 0.2 1 440 126 128 GLU N N 121.0665 0.2 1 441 127 129 THR H H 7.3368 0.02 1 442 127 129 THR CA C 56.3990 0.2 1 443 127 129 THR CB C 68.5200 0.2 1 444 127 129 THR N N 110.2031 0.2 1 445 128 130 PRO CA C 64.0280 0.2 1 446 128 130 PRO CB C 33.6460 0.2 1 447 129 131 TRP H H 6.8872 0.02 1 448 129 131 TRP CA C 59.6450 0.2 1 449 129 131 TRP CB C 26.2740 0.2 1 450 129 131 TRP N N 115.6898 0.2 1 451 130 132 LEU H H 7.1346 0.02 1 452 130 132 LEU CA C 55.2300 0.2 1 453 130 132 LEU CB C 48.0350 0.2 1 454 130 132 LEU N N 120.1577 0.2 1 455 131 133 ASP H H 7.5198 0.02 1 456 131 133 ASP CA C 55.5410 0.2 1 457 131 133 ASP N N 122.6406 0.2 1 458 132 134 GLY H H 9.0393 0.02 1 459 132 134 GLY CA C 44.0650 0.2 1 460 132 134 GLY N N 110.0796 0.2 1 461 133 135 HIS H H 7.6183 0.02 1 462 133 135 HIS CA C 54.8400 0.2 1 463 133 135 HIS CB C 30.6680 0.2 1 464 133 135 HIS N N 112.0663 0.2 1 465 134 136 HIS H H 7.2570 0.02 1 466 134 136 HIS CA C 54.6700 0.2 1 467 134 136 HIS CB C 31.3770 0.2 1 468 134 136 HIS N N 119.1889 0.2 1 469 135 137 CYS H H 8.8666 0.02 1 470 135 137 CYS CA C 59.4270 0.2 1 471 135 137 CYS CB C 28.0460 0.2 1 472 135 137 CYS N N 125.5696 0.2 1 473 136 138 VAL H H 9.6389 0.02 1 474 136 138 VAL CA C 62.4950 0.2 1 475 136 138 VAL CB C 30.8810 0.2 1 476 136 138 VAL N N 134.3666 0.2 1 477 138 140 GLY H H 6.8949 0.02 1 478 138 140 GLY CA C 44.8450 0.2 1 479 138 140 GLY N N 111.8172 0.2 1 480 139 141 GLN H H 8.4963 0.02 1 481 139 141 GLN CA C 53.2090 0.2 1 482 139 141 GLN N N 113.7821 0.2 1 483 140 142 VAL H H 9.0831 0.02 1 484 140 142 VAL CA C 63.2040 0.2 1 485 140 142 VAL CB C 30.5980 0.2 1 486 140 142 VAL N N 123.6586 0.2 1 487 141 143 ILE H H 9.1132 0.02 1 488 141 143 ILE CA C 61.0060 0.2 1 489 141 143 ILE CB C 38.8200 0.2 1 490 141 143 ILE N N 122.3629 0.2 1 491 142 144 GLU H H 7.6581 0.02 1 492 142 144 GLU CA C 56.0690 0.2 1 493 142 144 GLU CB C 32.2990 0.2 1 494 142 144 GLU N N 122.1134 0.2 1 495 143 145 GLY H H 8.6582 0.02 1 496 143 145 GLY CA C 45.6960 0.2 1 497 143 145 GLY N N 109.9341 0.2 1 498 144 146 MET H H 8.8257 0.02 1 499 144 146 MET CA C 56.4700 0.2 1 500 144 146 MET CB C 29.1800 0.2 1 501 144 146 MET N N 122.9662 0.2 1 502 145 147 ASP H H 9.0484 0.02 1 503 145 147 ASP CA C 56.4700 0.2 1 504 145 147 ASP CB C 38.6070 0.2 1 505 145 147 ASP N N 116.9787 0.2 1 506 146 148 ILE H H 7.4244 0.02 1 507 146 148 ILE CA C 63.0960 0.2 1 508 146 148 ILE CB C 34.7090 0.2 1 509 146 148 ILE N N 123.1637 0.2 1 510 147 149 VAL H H 7.5207 0.02 1 511 147 149 VAL CA C 66.8190 0.2 1 512 147 149 VAL CB C 29.8180 0.2 1 513 147 149 VAL N N 121.8802 0.2 1 514 148 150 LYS H H 7.9940 0.02 1 515 148 150 LYS CA C 57.9580 0.2 1 516 148 150 LYS CB C 29.5340 0.2 1 517 148 150 LYS N N 117.2635 0.2 1 518 149 151 GLN H H 7.6048 0.02 1 519 149 151 GLN CA C 59.2340 0.2 1 520 149 151 GLN CB C 27.9040 0.2 1 521 149 151 GLN N N 121.5739 0.2 1 522 150 152 ILE H H 8.1097 0.02 1 523 150 152 ILE CA C 65.1890 0.2 1 524 150 152 ILE N N 122.0617 0.2 1 525 151 153 GLU H H 8.5409 0.02 1 526 151 153 GLU CA C 58.7430 0.2 1 527 151 153 GLU CB C 29.0380 0.2 1 528 151 153 GLU N N 121.2887 0.2 1 529 152 154 SER H H 7.6359 0.02 1 530 152 154 SER CA C 60.5100 0.2 1 531 152 154 SER CB C 62.9200 0.2 1 532 152 154 SER N N 112.0926 0.2 1 533 153 155 CYS H H 8.0745 0.02 1 534 153 155 CYS CA C 59.5890 0.2 1 535 153 155 CYS CB C 26.6990 0.2 1 536 153 155 CYS N N 118.8392 0.2 1 537 154 156 GLY H H 7.8014 0.02 1 538 154 156 GLY CA C 44.2780 0.2 1 539 154 156 GLY N N 108.1410 0.2 1 540 155 157 THR H H 7.4169 0.02 1 541 155 157 THR CA C 60.0850 0.2 1 542 155 157 THR CB C 73.6240 0.2 1 543 155 157 THR N N 106.3091 0.2 1 544 156 158 GLU H H 9.0672 0.02 1 545 156 158 GLU CA C 59.5180 0.2 1 546 156 158 GLU CB C 28.3290 0.2 1 547 156 158 GLU N N 121.3213 0.2 1 548 157 159 SER H H 7.8067 0.02 1 549 157 159 SER CA C 58.7380 0.2 1 550 157 159 SER CB C 64.0540 0.2 1 551 157 159 SER N N 109.7978 0.2 1 552 158 160 GLY H H 8.1118 0.02 1 553 158 160 GLY CA C 44.2070 0.2 1 554 158 160 GLY N N 113.3162 0.2 1 555 159 161 ARG H H 7.2568 0.02 1 556 159 161 ARG CA C 53.9890 0.2 1 557 159 161 ARG CB C 29.1800 0.2 1 558 159 161 ARG N N 122.7582 0.2 1 559 160 162 PRO CA C 62.3530 0.2 1 560 160 162 PRO CB C 33.1490 0.2 1 561 161 163 ARG H H 9.1634 0.02 1 562 161 163 ARG CA C 55.3360 0.2 1 563 161 163 ARG CB C 29.8890 0.2 1 564 161 163 ARG N N 118.4443 0.2 1 565 162 164 ALA H H 7.2939 0.02 1 566 162 164 ALA CA C 50.3740 0.2 1 567 162 164 ALA CB C 21.8080 0.2 1 568 162 164 ALA N N 116.7661 0.2 1 569 163 165 MET H H 9.2853 0.02 1 570 163 165 MET CA C 54.2020 0.2 1 571 163 165 MET N N 118.7633 0.2 1 572 164 166 CYS H H 9.2470 0.02 1 573 164 166 CYS CA C 57.0020 0.2 1 574 164 166 CYS N N 128.8766 0.2 1 575 165 167 MET H H 9.2020 0.02 1 576 165 167 MET CA C 53.7050 0.2 1 577 165 167 MET CB C 36.9060 0.2 1 578 165 167 MET N N 124.2590 0.2 1 579 166 168 VAL H H 8.7285 0.02 1 580 166 168 VAL CA C 60.7940 0.2 1 581 166 168 VAL CB C 29.6760 0.2 1 582 166 168 VAL N N 124.7062 0.2 1 583 167 169 THR H H 9.0230 0.02 1 584 167 169 THR CA C 63.7710 0.2 1 585 167 169 THR CB C 67.3150 0.2 1 586 167 169 THR N N 121.9329 0.2 1 587 168 170 ASP H H 7.6601 0.02 1 588 168 170 ASP CA C 53.3510 0.2 1 589 168 170 ASP CB C 44.2780 0.2 1 590 168 170 ASP N N 116.0579 0.2 1 591 169 171 CYS H H 8.6811 0.02 1 592 169 171 CYS CA C 54.5560 0.2 1 593 169 171 CYS CB C 31.0230 0.2 1 594 169 171 CYS N N 115.7533 0.2 1 595 170 172 GLY H H 6.5633 0.02 1 596 170 172 GLY CA C 44.8450 0.2 1 597 170 172 GLY N N 103.0372 0.2 1 598 171 173 GLU H H 8.8120 0.02 1 599 171 173 GLU CA C 54.7690 0.2 1 600 171 173 GLU CB C 31.5900 0.2 1 601 171 173 GLU N N 120.6833 0.2 1 602 172 174 MET H H 8.4419 0.02 1 603 172 174 MET CA C 54.5560 0.2 1 604 172 174 MET CB C 32.9370 0.2 1 605 172 174 MET N N 124.7352 0.2 1 606 173 175 LYS H H 8.0804 0.02 1 607 173 175 LYS CA C 57.3206 0.2 1 608 173 175 LYS CB C 36.1265 0.2 1 609 173 175 LYS N N 130.1932 0.2 1 stop_ save_