data_25880 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone assignment of N-terminal fragment of F2-TnC from Lethocerus ; _BMRB_accession_number 25880 _BMRB_flat_file_name bmr25880.str _Entry_type original _Submission_date 2015-11-05 _Accession_date 2015-11-12 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Sanfelice Domenico . . 2 Pastore Annalisa . . 3 Bullard Belinda . . 4 Adrover Miguel . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 86 "13C chemical shifts" 252 "15N chemical shifts" 86 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2016-10-19 update BMRB 'update entry citation' 2016-07-22 update BMRB 'update entry citation' 2016-01-29 original author 'original release' stop_ loop_ _Related_BMRB_accession_number _Relationship 25875 'Backbone assignment of Calcium loaded C-terminus of Troponin C isoform 2' 25878 'Holo N-terminal TnC F2 backbone assignment' 25879 'Backbone assignment of Apo C-terminal F2-TnC' 25896 'Backbone Assignment of Apo Troponin C from Lethocerus Indicus' 25897 'Holo F2 TnC' stop_ _Original_release_date 2016-01-29 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Towards Understanding the Molecular Bases of Stretch Activation: A Structural comparison of the Two Troponin C Isoforms of Lethocerus ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 27226601 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Sanfelice Domenico . . 2 Pastore Annalisa . . 3 Bullard Belinda . . 4 Adrover Miguel . . stop_ _Journal_abbreviation 'J. Biol. Chem.' _Journal_volume 291 _Journal_issue 31 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 16090 _Page_last 16099 _Year 2016 _Details . loop_ _Keyword 'Calcium binding' 'Lethocerus indicus' NMR 'Stretch activation' stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'N-terminus F2 TnC' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'N-terminus F2 TnC' $Apo_N-term 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_Apo_N-term _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common Apo_N-term _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 88 _Mol_residue_sequence ; MVAMDDLDKDQIALLKRAFE AFAQEKSYIEANMVGTILQM LGHEVSDKQLTEIIVEVDAD GSGQLEFEEFVTLAARFLTE DNEEDSAA ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1 MET 2 2 VAL 3 3 ALA 4 4 MET 5 5 ASP 6 6 ASP 7 7 LEU 8 8 ASP 9 9 LYS 10 10 ASP 11 11 GLN 12 12 ILE 13 13 ALA 14 14 LEU 15 15 LEU 16 16 LYS 17 17 ARG 18 18 ALA 19 19 PHE 20 20 GLU 21 21 ALA 22 22 PHE 23 23 ALA 24 24 GLN 25 25 GLU 26 26 LYS 27 27 SER 28 28 TYR 29 29 ILE 30 30 GLU 31 31 ALA 32 32 ASN 33 33 MET 34 34 VAL 35 35 GLY 36 36 THR 37 37 ILE 38 38 LEU 39 39 GLN 40 40 MET 41 41 LEU 42 42 GLY 43 43 HIS 44 44 GLU 45 45 VAL 46 46 SER 47 47 ASP 48 48 LYS 49 49 GLN 50 50 LEU 51 51 THR 52 52 GLU 53 53 ILE 54 54 ILE 55 55 VAL 56 56 GLU 57 57 VAL 58 58 ASP 59 59 ALA 60 60 ASP 61 61 GLY 62 62 SER 63 63 GLY 64 64 GLN 65 65 LEU 66 66 GLU 67 67 PHE 68 68 GLU 69 69 GLU 70 70 PHE 71 71 VAL 72 72 THR 73 73 LEU 74 74 ALA 75 75 ALA 76 76 ARG 77 77 PHE 78 78 LEU 79 79 THR 80 80 GLU 81 81 ASP 82 82 ASN 83 83 GLU 84 84 GLU 85 85 ASP 86 86 SER 87 87 ALA 88 88 ALA 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 $Apo_N-term 'Lethocerus Indicus' 212017 Eukaryota Metazoa Lethocerus Indicus 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 $Apo_N-term 'recombinant technology' . Escherichia coli . pet11a stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details '20mM TRIS, 100mM KCl, 2mM DTT, pH 6.8' loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $Apo_N-term . mM 0.5 1.0 '[U-98% 13C; U-98% 15N]' TRIS 20 mM . . [U-2H] KCl 100 mM . . 'natural abundance' DTT 2 mM . . [U-2H] D2O 10 % . . [U-2H] H2O 90 % . . 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_XEASY _Saveframe_category software _Name XEASY _Version . loop_ _Vendor _Address _Electronic_address 'Bartels et al.' . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 700 _Details . save_ save_spectrometer_3 _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_2D_1H-13C_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCO_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCA_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HNCACB_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _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 'ionic strength' 0.1 . M pH 6.8 . pH pressure 1 . atm temperature 298.2 . 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 acetate C 13 'methyl carbon' ppm 54 internal direct . . . 1 water H 1 protons ppm 4.7 internal direct . . . 1 '[15N] ammonium sulfate' N 15 nitrogen ppm 118 internal direct . . . 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $XEASY stop_ loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC' '3D CBCA(CO)NH' '3D HNCO' '3D HNCA' '3D HNCACB' '3D HN(CO)CA' 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 'N-terminus F2 TnC' _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 1 MET C C 175.889 0.000 . 2 1 1 MET CA C 55.790 0.000 . 3 1 1 MET CB C 33.118 0.000 . 4 2 2 VAL H H 8.232 0.000 . 5 2 2 VAL C C 175.126 0.000 . 6 2 2 VAL CA C 61.986 0.000 . 7 2 2 VAL CB C 32.845 0.000 . 8 2 2 VAL N N 122.199 0.000 . 9 3 3 ALA H H 8.616 0.000 . 10 3 3 ALA C C 177.936 0.000 . 11 3 3 ALA CA C 52.318 0.000 . 12 3 3 ALA CB C 19.501 0.000 . 13 3 3 ALA N N 128.529 0.000 . 14 4 4 MET H H 8.431 0.000 . 15 4 4 MET C C 176.812 0.000 . 16 4 4 MET CA C 57.424 0.000 . 17 4 4 MET CB C 32.233 0.000 . 18 4 4 MET N N 118.953 0.000 . 19 5 5 ASP H H 8.077 0.000 . 20 5 5 ASP C C 176.170 0.000 . 21 5 5 ASP CA C 55.382 0.000 . 22 5 5 ASP CB C 40.675 0.000 . 23 5 5 ASP N N 116.505 0.000 . 24 6 6 ASP H H 7.898 0.000 . 25 6 6 ASP C C 176.170 0.000 . 26 6 6 ASP CA C 54.701 0.000 . 27 6 6 ASP CB C 41.424 0.000 . 28 6 6 ASP N N 117.954 0.000 . 29 7 7 LEU H H 7.503 0.000 . 30 7 7 LEU C C 176.411 0.000 . 31 7 7 LEU CA C 54.292 0.000 . 32 7 7 LEU CB C 42.854 0.000 . 33 7 7 LEU N N 120.414 0.000 . 34 8 8 ASP H H 8.655 0.000 . 35 8 8 ASP C C 177.093 0.000 . 36 8 8 ASP CA C 53.339 0.000 . 37 8 8 ASP CB C 42.309 0.000 . 38 8 8 ASP N N 121.175 0.000 . 39 9 9 LYS H H 8.577 0.000 . 40 9 9 LYS C C 179.060 0.000 . 41 9 9 LYS CA C 59.399 0.000 . 42 9 9 LYS CB C 31.960 0.000 . 43 9 9 LYS N N 119.877 0.000 . 44 10 10 ASP H H 8.530 0.000 . 45 10 10 ASP C C 175.966 0.000 . 46 10 10 ASP CA C 57.288 0.000 . 47 10 10 ASP CB C 39.994 0.000 . 48 10 10 ASP N N 121.525 0.000 . 49 11 11 GLN H H 8.343 0.000 . 50 11 11 GLN C C 178.658 0.000 . 51 11 11 GLN CA C 58.922 0.000 . 52 11 11 GLN CB C 29.305 0.000 . 53 11 11 GLN N N 122.549 0.000 . 54 12 12 ILE H H 8.220 0.000 . 55 12 12 ILE C C 177.494 0.000 . 56 12 12 ILE CA C 64.505 0.000 . 57 12 12 ILE CB C 36.726 0.000 . 58 12 12 ILE N N 118.903 0.000 . 59 13 13 ALA H H 7.873 0.000 . 60 13 13 ALA C C 180.585 0.000 . 61 13 13 ALA CA C 55.313 0.000 . 62 13 13 ALA CB C 17.935 0.000 . 63 13 13 ALA N N 121.275 0.000 . 64 14 14 LEU H H 7.776 0.000 . 65 14 14 LEU C C 179.739 0.000 . 66 14 14 LEU CA C 58.854 0.000 . 67 14 14 LEU CB C 41.969 0.000 . 68 14 14 LEU N N 120.326 0.000 . 69 15 15 LEU H H 8.223 0.000 . 70 15 15 LEU C C 178.939 0.000 . 71 15 15 LEU CA C 58.105 0.000 . 72 15 15 LEU CB C 41.492 0.000 . 73 15 15 LEU N N 119.777 0.000 . 74 16 16 LYS H H 9.149 0.000 . 75 16 16 LYS C C 178.056 0.000 . 76 16 16 LYS CA C 59.739 0.000 . 77 16 16 LYS CB C 32.233 0.000 . 78 16 16 LYS N N 121.450 0.000 . 79 17 17 ARG H H 8.037 0.000 . 80 17 17 ARG C C 179.581 0.000 . 81 17 17 ARG CA C 59.399 0.000 . 82 17 17 ARG CB C 30.190 0.000 . 83 17 17 ARG N N 118.403 0.000 . 84 18 18 ALA H H 7.961 0.000 . 85 18 18 ALA C C 178.096 0.000 . 86 18 18 ALA CA C 55.041 0.000 . 87 18 18 ALA CB C 18.616 0.000 . 88 18 18 ALA N N 122.162 0.000 . 89 19 19 PHE H H 8.769 0.000 . 90 19 19 PHE C C 177.695 0.000 . 91 19 19 PHE CA C 62.054 0.000 . 92 19 19 PHE CB C 40.199 0.000 . 93 19 19 PHE N N 117.404 0.000 . 94 20 20 GLU H H 8.961 0.000 . 95 20 20 GLU C C 179.260 0.000 . 96 20 20 GLU CA C 59.330 0.000 . 97 20 20 GLU CB C 29.305 0.000 . 98 20 20 GLU N N 117.254 0.000 . 99 21 21 ALA H H 7.757 0.000 . 100 21 21 ALA C C 178.618 0.000 . 101 21 21 ALA CA C 54.428 0.000 . 102 21 21 ALA CB C 17.458 0.000 . 103 21 21 ALA N N 121.225 0.000 . 104 22 22 PHE H H 7.321 0.000 . 105 22 22 PHE C C 176.571 0.000 . 106 22 22 PHE CA C 59.535 0.000 . 107 22 22 PHE CB C 40.539 0.000 . 108 22 22 PHE N N 114.898 0.000 . 109 23 23 ALA H H 8.585 0.000 . 110 23 23 ALA C C 176.571 0.000 . 111 23 23 ALA CA C 54.428 0.000 . 112 23 23 ALA CB C 18.548 0.000 . 113 23 23 ALA N N 124.401 0.000 . 114 24 24 GLN H H 7.996 0.000 . 115 24 24 GLN C C 175.407 0.000 . 116 24 24 GLN CA C 57.424 0.000 . 117 24 24 GLN CB C 26.377 0.000 . 118 24 24 GLN N N 112.809 0.000 . 119 25 25 GLU H H 9.102 0.000 . 120 25 25 GLU C C 176.491 0.000 . 121 25 25 GLU CA C 57.492 0.000 . 122 25 25 GLU CB C 28.079 0.000 . 123 25 25 GLU N N 119.927 0.000 . 124 26 26 LYS H H 7.922 0.000 . 125 26 26 LYS C C 175.688 0.000 . 126 26 26 LYS CA C 55.518 0.000 . 127 26 26 LYS CB C 33.322 0.000 . 128 26 26 LYS N N 120.076 0.000 . 129 27 27 SER H H 8.377 0.000 . 130 27 27 SER C C 172.638 0.000 . 131 27 27 SER CA C 58.173 0.000 . 132 27 27 SER CB C 63.824 0.000 . 133 27 27 SER N N 111.101 0.000 . 134 28 28 TYR H H 6.775 0.000 . 135 28 28 TYR C C 173.280 0.000 . 136 28 28 TYR CA C 54.837 0.000 . 137 28 28 TYR CB C 41.220 0.000 . 138 28 28 TYR N N 114.988 0.000 . 139 29 29 ILE H H 8.574 0.000 . 140 29 29 ILE C C 179.056 0.000 . 141 29 29 ILE CA C 58.173 0.000 . 142 29 29 ILE CB C 40.947 0.000 . 143 29 29 ILE N N 110.125 0.000 . 144 30 30 GLU H H 8.333 0.000 . 145 30 30 GLU CA C 55.994 0.000 . 146 30 30 GLU CB C 30.326 0.000 . 147 30 30 GLU N N 122.687 0.000 . 148 31 31 ALA H H 8.738 0.000 . 149 31 31 ALA C C 178.618 0.000 . 150 31 31 ALA CA C 55.313 0.000 . 151 31 31 ALA CB C 17.799 0.000 . 152 31 31 ALA N N 125.576 0.000 . 153 32 32 ASN H H 8.444 0.000 . 154 32 32 ASN C C 176.611 0.000 . 155 32 32 ASN CA C 54.633 0.000 . 156 32 32 ASN CB C 37.135 0.000 . 157 32 32 ASN N N 112.185 0.000 . 158 33 33 MET H H 8.072 0.000 . 159 33 33 MET C C 177.133 0.000 . 160 33 33 MET CA C 55.313 0.000 . 161 33 33 MET CB C 32.505 0.000 . 162 33 33 MET N N 118.004 0.000 . 163 34 34 VAL H H 7.593 0.000 . 164 34 34 VAL C C 177.053 0.000 . 165 34 34 VAL CA C 67.569 0.000 . 166 34 34 VAL CB C 31.075 0.000 . 167 34 34 VAL N N 118.828 0.000 . 168 35 35 GLY H H 8.872 0.000 . 169 35 35 GLY C C 176.090 0.000 . 170 35 35 GLY CA C 47.824 0.000 . 171 35 35 GLY N N 107.270 0.000 . 172 36 36 THR H H 7.681 0.000 . 173 36 36 THR C C 176.330 0.000 . 174 36 36 THR CA C 66.275 0.000 . 175 36 36 THR CB C 68.522 0.000 . 176 36 36 THR N N 119.527 0.000 . 177 37 37 ILE H H 7.725 0.000 . 178 37 37 ILE C C 177.855 0.000 . 179 37 37 ILE CA C 65.799 0.000 . 180 37 37 ILE CB C 37.543 0.000 . 181 37 37 ILE N N 122.636 0.000 . 182 38 38 LEU H H 8.364 0.000 . 183 38 38 LEU C C 179.340 0.000 . 184 38 38 LEU CA C 58.581 0.000 . 185 38 38 LEU CB C 39.858 0.000 . 186 38 38 LEU N N 118.253 0.000 . 187 39 39 GLN H H 8.065 0.000 . 188 39 39 GLN C C 180.544 0.000 . 189 39 39 GLN CA C 59.399 0.000 . 190 39 39 GLN CB C 28.147 0.000 . 191 39 39 GLN N N 119.102 0.000 . 192 40 40 MET H H 8.079 0.000 . 193 40 40 MET C C 177.936 0.000 . 194 40 40 MET CA C 58.786 0.000 . 195 40 40 MET CB C 31.824 0.000 . 196 40 40 MET N N 122.586 0.000 . 197 41 41 LEU H H 7.702 0.000 . 198 41 41 LEU C C 176.330 0.000 . 199 41 41 LEU CA C 54.769 0.000 . 200 41 41 LEU CB C 42.377 0.000 . 201 41 41 LEU N N 118.104 0.000 . 202 42 42 GLY H H 7.835 0.000 . 203 42 42 GLY C C 173.842 0.000 . 204 42 42 GLY CA C 45.101 0.000 . 205 42 42 GLY N N 106.529 0.000 . 206 43 43 HIS H H 8.206 0.000 . 207 43 43 HIS C C 172.718 0.000 . 208 43 43 HIS CA C 54.496 0.000 . 209 43 43 HIS CB C 30.735 0.000 . 210 43 43 HIS N N 120.201 0.000 . 211 44 44 GLU H H 8.535 0.000 . 212 44 44 GLU C C 175.488 0.000 . 213 44 44 GLU CA C 56.062 0.000 . 214 44 44 GLU CB C 29.645 0.000 . 215 44 44 GLU N N 123.860 0.000 . 216 45 45 VAL H H 8.268 0.000 . 217 45 45 VAL C C 175.046 0.000 . 218 45 45 VAL CA C 60.420 0.000 . 219 45 45 VAL CB C 33.867 0.000 . 220 45 45 VAL N N 124.257 0.000 . 221 46 46 SER H H 8.718 0.000 . 222 46 46 SER C C 174.645 0.000 . 223 46 46 SER CA C 57.492 0.000 . 224 46 46 SER CB C 64.709 0.000 . 225 46 46 SER N N 121.675 0.000 . 226 47 47 ASP H H 8.838 0.000 . 227 47 47 ASP C C 178.499 0.000 . 228 47 47 ASP CA C 57.833 0.000 . 229 47 47 ASP CB C 40.335 0.000 . 230 47 47 ASP N N 122.823 0.000 . 231 48 48 LYS H H 8.336 0.000 . 232 48 48 LYS C C 178.578 0.000 . 233 48 48 LYS CA C 59.262 0.000 . 234 48 48 LYS CB C 32.437 0.000 . 235 48 48 LYS N N 120.076 0.000 . 236 49 49 GLN H H 7.674 0.000 . 237 49 49 GLN C C 178.537 0.000 . 238 49 49 GLN CA C 58.377 0.000 . 239 49 49 GLN CB C 29.033 0.000 . 240 49 49 GLN N N 118.703 0.000 . 241 50 50 LEU H H 8.376 0.000 . 242 50 50 LEU C C 178.417 0.000 . 243 50 50 LEU CA C 57.696 0.000 . 244 50 50 LEU CB C 41.492 0.000 . 245 50 50 LEU N N 119.546 0.000 . 246 51 51 THR H H 8.197 0.000 . 247 51 51 THR C C 175.769 0.000 . 248 51 51 THR CA C 66.820 0.000 . 249 51 51 THR CB C 68.930 0.000 . 250 51 51 THR N N 113.808 0.000 . 251 52 52 GLU H H 7.508 0.000 . 252 52 52 GLU C C 178.738 0.000 . 253 52 52 GLU CA C 59.126 0.000 . 254 52 52 GLU CB C 29.509 0.000 . 255 52 52 GLU N N 118.637 0.000 . 256 53 53 ILE H H 7.894 0.000 . 257 53 53 ILE C C 177.655 0.000 . 258 53 53 ILE CA C 63.960 0.000 . 259 53 53 ILE CB C 37.952 0.000 . 260 53 53 ILE N N 117.879 0.000 . 261 54 54 ILE H H 8.348 0.000 . 262 54 54 ILE C C 177.374 0.000 . 263 54 54 ILE CA C 65.186 0.000 . 264 54 54 ILE CB C 37.475 0.000 . 265 54 54 ILE N N 121.450 0.000 . 266 55 55 VAL H H 7.658 0.000 . 267 55 55 VAL C C 175.889 0.000 . 268 55 55 VAL CA C 64.981 0.000 . 269 55 55 VAL CB C 31.416 0.000 . 270 55 55 VAL N N 117.130 0.000 . 271 56 56 GLU H H 7.481 0.000 . 272 56 56 GLU C C 178.136 0.000 . 273 56 56 GLU CA C 58.650 0.000 . 274 56 56 GLU CB C 29.986 0.000 . 275 56 56 GLU N N 118.456 0.000 . 276 57 57 VAL H H 7.771 0.000 . 277 57 57 VAL C C 176.090 0.000 . 278 57 57 VAL CA C 62.667 0.000 . 279 57 57 VAL CB C 32.505 0.000 . 280 57 57 VAL N N 113.009 0.000 . 281 58 58 ASP H H 8.260 0.000 . 282 58 58 ASP C C 177.053 0.000 . 283 58 58 ASP CA C 53.135 0.000 . 284 58 58 ASP CB C 39.926 0.000 . 285 58 58 ASP N N 121.725 0.000 . 286 59 59 ALA H H 8.142 0.000 . 287 59 59 ALA C C 178.899 0.000 . 288 59 59 ALA CA C 54.701 0.000 . 289 59 59 ALA CB C 18.752 0.000 . 290 59 59 ALA N N 126.587 0.000 . 291 60 60 ASP H H 8.408 0.000 . 292 60 60 ASP C C 177.414 0.000 . 293 60 60 ASP CA C 53.679 0.000 . 294 60 60 ASP CB C 40.607 0.000 . 295 60 60 ASP N N 114.907 0.000 . 296 61 61 GLY H H 7.980 0.000 . 297 61 61 GLY C C 175.247 0.000 . 298 61 61 GLY CA C 46.667 0.000 . 299 61 61 GLY N N 109.781 0.000 . 300 62 62 SER H H 8.706 0.000 . 301 62 62 SER C C 176.330 0.000 . 302 62 62 SER CA C 59.330 0.000 . 303 62 62 SER CB C 64.233 0.000 . 304 62 62 SER N N 117.204 0.000 . 305 63 63 GLY H H 10.179 0.000 . 306 63 63 GLY C C 173.441 0.000 . 307 63 63 GLY CA C 45.918 0.000 . 308 63 63 GLY N N 114.258 0.000 . 309 64 64 GLN H H 7.954 0.000 . 310 64 64 GLN C C 174.404 0.000 . 311 64 64 GLN CA C 54.428 0.000 . 312 64 64 GLN CB C 29.986 0.000 . 313 64 64 GLN N N 119.477 0.000 . 314 65 65 LEU H H 9.088 0.000 . 315 65 65 LEU C C 176.571 0.000 . 316 65 65 LEU CA C 54.156 0.000 . 317 65 65 LEU CB C 44.079 0.000 . 318 65 65 LEU N N 121.999 0.000 . 319 66 66 GLU H H 8.968 0.000 . 320 66 66 GLU C C 177.253 0.000 . 321 66 66 GLU CA C 56.062 0.000 . 322 66 66 GLU CB C 30.599 0.000 . 323 66 66 GLU N N 122.748 0.000 . 324 67 67 PHE H H 9.197 0.000 . 325 67 67 PHE C C 176.651 0.000 . 326 67 67 PHE CA C 62.530 0.000 . 327 67 67 PHE CB C 38.292 0.000 . 328 67 67 PHE N N 122.299 0.000 . 329 68 68 GLU H H 9.267 0.000 . 330 68 68 GLU C C 178.979 0.000 . 331 68 68 GLU CA C 60.692 0.000 . 332 68 68 GLU CB C 28.420 0.000 . 333 68 68 GLU N N 116.081 0.000 . 334 69 69 GLU H H 7.275 0.000 . 335 69 69 GLU C C 177.963 0.000 . 336 69 69 GLU CA C 58.922 0.000 . 337 69 69 GLU CB C 29.850 0.000 . 338 69 69 GLU N N 118.619 0.000 . 339 70 70 PHE H H 8.380 0.000 . 340 70 70 PHE C C 175.929 0.000 . 341 70 70 PHE CA C 60.896 0.000 . 342 70 70 PHE CB C 38.701 0.000 . 343 70 70 PHE N N 119.677 0.000 . 344 71 71 VAL H H 8.481 0.000 . 345 71 71 VAL C C 176.732 0.000 . 346 71 71 VAL CA C 67.160 0.000 . 347 71 71 VAL CB C 30.599 0.000 . 348 71 71 VAL N N 119.998 0.000 . 349 72 72 THR H H 7.473 0.000 . 350 72 72 THR C C 176.009 0.000 . 351 72 72 THR CA C 66.616 0.000 . 352 72 72 THR CB C 68.386 0.000 . 353 72 72 THR N N 114.682 0.000 . 354 73 73 LEU H H 7.549 0.000 . 355 73 73 LEU C C 177.454 0.000 . 356 73 73 LEU CA C 58.309 0.000 . 357 73 73 LEU CB C 42.105 0.000 . 358 73 73 LEU N N 122.012 0.000 . 359 74 74 ALA H H 8.577 0.000 . 360 74 74 ALA C C 179.381 0.000 . 361 74 74 ALA CA C 54.564 0.000 . 362 74 74 ALA CB C 18.548 0.000 . 363 74 74 ALA N N 119.552 0.000 . 364 75 75 ALA H H 8.519 0.000 . 365 75 75 ALA C C 179.220 0.000 . 366 75 75 ALA CA C 55.313 0.000 . 367 75 75 ALA CB C 17.867 0.000 . 368 75 75 ALA N N 118.453 0.000 . 369 76 76 ARG H H 7.311 0.000 . 370 76 76 ARG C C 176.892 0.000 . 371 76 76 ARG CA C 57.424 0.000 . 372 76 76 ARG CB C 28.760 0.000 . 373 76 76 ARG N N 114.627 0.000 . 374 77 77 PHE H H 7.521 0.000 . 375 77 77 PHE C C 175.889 0.000 . 376 77 77 PHE CA C 58.922 0.000 . 377 77 77 PHE CB C 38.837 0.000 . 378 77 77 PHE N N 116.380 0.000 . 379 78 78 LEU H H 7.482 0.000 . 380 78 78 LEU C C 177.253 0.000 . 381 78 78 LEU CA C 55.586 0.000 . 382 78 78 LEU CB C 41.696 0.000 . 383 78 78 LEU N N 117.904 0.000 . 384 79 79 THR H H 7.502 0.000 . 385 79 79 THR C C 174.203 0.000 . 386 79 79 THR CA C 61.373 0.000 . 387 79 79 THR CB C 69.816 0.000 . 388 79 79 THR N N 110.851 0.000 . 389 80 80 GLU H H 8.183 0.000 . 390 80 80 GLU C C 176.356 0.000 . 391 80 80 GLU CA C 56.471 0.000 . 392 80 80 GLU CB C 30.258 0.000 . 393 80 80 GLU N N 122.873 0.000 . 394 81 81 ASP H H 8.447 0.000 . 395 81 81 ASP C C 175.769 0.000 . 396 81 81 ASP CA C 54.224 0.000 . 397 81 81 ASP CB C 41.016 0.000 . 398 81 81 ASP N N 122.024 0.000 . 399 82 82 ASN H H 8.470 0.000 . 400 82 82 ASN C C 175.207 0.000 . 401 82 82 ASN CA C 53.203 0.000 . 402 82 82 ASN CB C 39.245 0.000 . 403 82 82 ASN N N 119.902 0.000 . 404 83 83 GLU H H 8.517 0.000 . 405 83 83 GLU C C 176.628 0.000 . 406 83 83 GLU CA C 56.675 0.000 . 407 83 83 GLU CB C 29.918 0.000 . 408 83 83 GLU N N 121.874 0.000 . 409 84 84 GLU H H 8.471 0.000 . 410 84 84 GLU N N 122.150 0.000 . 411 85 85 ASP C C 176.411 0.000 . 412 85 85 ASP CA C 54.428 0.000 . 413 85 85 ASP CB C 41.016 0.000 . 414 86 86 SER H H 8.273 0.000 . 415 86 86 SER CA C 58.377 0.000 . 416 86 86 SER CB C 63.892 0.000 . 417 86 86 SER N N 116.730 0.000 . 418 87 87 ALA H H 8.312 0.000 . 419 87 87 ALA C C 176.411 0.000 . 420 87 87 ALA CA C 52.318 0.000 . 421 87 87 ALA CB C 19.296 0.000 . 422 87 87 ALA N N 126.605 0.000 . 423 88 88 ALA H H 7.846 0.000 . 424 88 88 ALA N N 129.162 0.000 . stop_ save_