data_25879 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone assignment of Apo C-terminal F2-TnC ; _BMRB_accession_number 25879 _BMRB_flat_file_name bmr25879.str _Entry_type original _Submission_date 2015-11-04 _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" 68 "13C chemical shifts" 190 "15N chemical shifts" 68 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' 25880 'Backbone assignment of N-terminal fragment of F2-TnC from Lethocerus' 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 . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'C-terminus F2 TnC' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'C-terminus F2 TnC' $Apo_C-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_C-term _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common Apo_C-term _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 71 _Mol_residue_sequence ; GMMEELREAFRLYDKDGNGY ITTEVLREILKELDDKITPE DLDMMIQEIDSDGSGTVDFD EFMEVMIGGDE ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 88 GLY 2 89 MET 3 90 MET 4 91 GLU 5 92 GLU 6 93 LEU 7 94 ARG 8 95 GLU 9 96 ALA 10 97 PHE 11 98 ARG 12 99 LEU 13 100 TYR 14 101 ASP 15 102 LYS 16 103 ASP 17 104 GLY 18 105 ASN 19 106 GLY 20 107 TYR 21 108 ILE 22 109 THR 23 110 THR 24 111 GLU 25 112 VAL 26 113 LEU 27 114 ARG 28 115 GLU 29 116 ILE 30 117 LEU 31 118 LYS 32 119 GLU 33 120 LEU 34 121 ASP 35 122 ASP 36 123 LYS 37 124 ILE 38 125 THR 39 126 PRO 40 127 GLU 41 128 ASP 42 129 LEU 43 130 ASP 44 131 MET 45 132 MET 46 133 ILE 47 134 GLN 48 135 GLU 49 136 ILE 50 137 ASP 51 138 SER 52 139 ASP 53 140 GLY 54 141 SER 55 142 GLY 56 143 THR 57 144 VAL 58 145 ASP 59 146 PHE 60 147 ASP 61 148 GLU 62 149 PHE 63 150 MET 64 151 GLU 65 152 VAL 66 153 MET 67 154 ILE 68 155 GLY 69 156 GLY 70 157 ASP 71 158 GLU 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_C-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_C-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_C-term . mM 0.5 1.0 '[U-98% 13C; U-98% 15N]' TRIS 20 mM . . 'natural abundance' KCl 100 mM . . 'natural abundance' DTT 2 mM . . 'natural abundance' D2O 10 % . . [U-2H] H2O 90 % . . 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_XEASY _Saveframe_category software _Name XEASY _Version 1.2 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_ _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 'C-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 88 1 GLY CA C 43.316 0.000 . 2 89 2 MET H H 9.034 0.000 . 3 89 2 MET CA C 58.347 0.000 . 4 89 2 MET CB C 32.655 0.000 . 5 89 2 MET N N 122.161 0.050 . 6 90 3 MET H H 8.919 0.000 . 7 90 3 MET CA C 58.645 0.000 . 8 90 3 MET CB C 31.314 0.000 . 9 90 3 MET N N 117.940 0.043 . 10 91 4 GLU H H 8.291 0.000 . 11 91 4 GLU C C 179.554 0.000 . 12 91 4 GLU CA C 60.730 0.000 . 13 91 4 GLU CB C 28.559 0.000 . 14 91 4 GLU N N 118.998 0.043 . 15 92 5 GLU H H 8.133 0.000 . 16 92 5 GLU C C 180.087 0.000 . 17 92 5 GLU CA C 59.166 0.000 . 18 92 5 GLU CB C 29.229 0.000 . 19 92 5 GLU N N 120.033 0.043 . 20 93 6 LEU H H 8.614 0.000 . 21 93 6 LEU C C 178.243 0.000 . 22 93 6 LEU CA C 57.825 0.000 . 23 93 6 LEU CB C 41.889 0.000 . 24 93 6 LEU N N 122.019 0.000 . 25 94 7 ARG H H 8.307 0.000 . 26 94 7 ARG C C 178.944 0.000 . 27 94 7 ARG CA C 60.134 0.000 . 28 94 7 ARG CB C 30.048 0.000 . 29 94 7 ARG N N 119.708 0.043 . 30 95 8 GLU H H 7.895 0.000 . 31 95 8 GLU C C 178.449 0.000 . 32 95 8 GLU CA C 58.645 0.000 . 33 95 8 GLU CB C 29.155 0.000 . 34 95 8 GLU N N 118.550 0.043 . 35 96 9 ALA H H 8.027 0.000 . 36 96 9 ALA C C 179.515 0.000 . 37 96 9 ALA CA C 55.145 0.000 . 38 96 9 ALA CB C 18.282 0.000 . 39 96 9 ALA N N 122.572 0.043 . 40 97 10 PHE H H 8.414 0.000 . 41 97 10 PHE C C 177.077 0.000 . 42 97 10 PHE CA C 61.549 0.000 . 43 97 10 PHE CB C 39.655 0.000 . 44 97 10 PHE N N 117.697 0.043 . 45 98 11 ARG H H 7.882 0.000 . 46 98 11 ARG C C 178.530 0.000 . 47 98 11 ARG CA C 58.794 0.000 . 48 98 11 ARG CB C 30.123 0.000 . 49 98 11 ARG N N 116.742 0.043 . 50 99 12 LEU H H 7.759 0.000 . 51 99 12 LEU CA C 56.932 0.000 . 52 99 12 LEU CB C 41.889 0.000 . 53 99 12 LEU N N 119.017 0.043 . 54 100 13 TYR H H 7.593 0.000 . 55 100 13 TYR C C 176.391 0.000 . 56 100 13 TYR CA C 59.613 0.000 . 57 100 13 TYR CB C 38.910 0.000 . 58 100 13 TYR N N 116.397 0.043 . 59 101 14 ASP H H 7.878 0.000 . 60 101 14 ASP C C 176.887 0.000 . 61 101 14 ASP CA C 52.538 0.000 . 62 101 14 ASP CB C 39.282 0.000 . 63 101 14 ASP N N 122.328 0.043 . 64 102 15 LYS H H 7.814 0.000 . 65 102 15 LYS C C 177.915 0.000 . 66 102 15 LYS CA C 58.570 0.000 . 67 102 15 LYS CB C 32.431 0.000 . 68 102 15 LYS N N 123.425 0.043 . 69 103 16 ASP H H 8.511 0.000 . 70 103 16 ASP C C 176.582 0.000 . 71 103 16 ASP CA C 54.549 0.000 . 72 103 16 ASP CB C 41.144 0.000 . 73 103 16 ASP N N 117.148 0.043 . 74 104 17 GLY H H 7.853 0.000 . 75 104 17 GLY C C 175.625 0.000 . 76 104 17 GLY CA C 46.953 0.000 . 77 104 17 GLY N N 109.827 0.047 . 78 105 18 ASN H H 9.413 0.000 . 79 105 18 ASN C C 176.658 0.000 . 80 105 18 ASN CA C 54.400 0.000 . 81 105 18 ASN CB C 39.134 0.000 . 82 105 18 ASN N N 120.053 0.043 . 83 106 19 GLY H H 10.467 0.000 . 84 106 19 GLY C C 173.187 0.000 . 85 106 19 GLY N N 111.029 0.050 . 86 107 20 TYR H H 7.338 0.000 . 87 107 20 TYR C C 173.839 0.000 . 88 107 20 TYR CA C 55.889 0.000 . 89 107 20 TYR CB C 40.548 0.000 . 90 107 20 TYR N N 115.767 0.043 . 91 108 21 ILE H H 8.788 0.000 . 92 108 21 ILE C C 175.401 0.000 . 93 108 21 ILE CA C 59.017 0.000 . 94 108 21 ILE CB C 41.814 0.000 . 95 108 21 ILE N N 113.797 0.043 . 96 109 22 THR H H 8.167 0.000 . 97 109 22 THR C C 176.277 0.000 . 98 109 22 THR CA C 60.804 0.000 . 99 109 22 THR CB C 70.709 0.000 . 100 109 22 THR N N 112.659 0.043 . 101 110 23 THR H H 8.312 0.000 . 102 110 23 THR C C 176.772 0.000 . 103 110 23 THR CA C 65.123 0.000 . 104 110 23 THR CB C 67.283 0.000 . 105 110 23 THR N N 112.456 0.043 . 106 111 24 GLU H H 8.201 0.000 . 107 111 24 GLU C C 178.906 0.000 . 108 111 24 GLU CA C 60.134 0.000 . 109 111 24 GLU CB C 29.229 0.000 . 110 111 24 GLU N N 121.576 0.043 . 111 112 25 VAL H H 7.385 0.000 . 112 112 25 VAL C C 177.915 0.000 . 113 112 25 VAL CA C 65.868 0.000 . 114 112 25 VAL CB C 31.389 0.000 . 115 112 25 VAL N N 121.556 0.043 . 116 113 26 LEU H H 8.108 0.000 . 117 113 26 LEU C C 177.572 0.000 . 118 113 26 LEU CA C 57.751 0.000 . 119 113 26 LEU CB C 41.442 0.000 . 120 113 26 LEU N N 120.886 0.043 . 121 114 27 ARG H H 8.023 0.000 . 122 114 27 ARG C C 177.611 0.000 . 123 114 27 ARG CA C 60.432 0.000 . 124 114 27 ARG CB C 30.570 0.000 . 125 114 27 ARG N N 116.843 0.043 . 126 115 28 GLU H H 7.143 0.000 . 127 115 28 GLU C C 179.287 0.000 . 128 115 28 GLU CA C 58.794 0.000 . 129 115 28 GLU CB C 28.931 0.000 . 130 115 28 GLU N N 116.884 0.043 . 131 116 29 ILE H H 8.001 0.000 . 132 116 29 ILE C C 178.090 0.000 . 133 116 29 ILE CA C 64.975 0.000 . 134 116 29 ILE CB C 38.538 0.000 . 135 116 29 ILE N N 120.662 0.043 . 136 117 30 LEU H H 8.325 0.000 . 137 117 30 LEU C C 178.906 0.000 . 138 117 30 LEU CA C 57.974 0.000 . 139 117 30 LEU CB C 41.517 0.000 . 140 117 30 LEU N N 118.646 0.030 . 141 118 31 LYS H H 7.708 0.000 . 142 118 31 LYS C C 178.144 0.000 . 143 118 31 LYS CA C 58.347 0.000 . 144 118 31 LYS CB C 32.431 0.000 . 145 118 31 LYS N N 117.595 0.043 . 146 119 32 GLU H H 7.559 0.000 . 147 119 32 GLU C C 178.296 0.000 . 148 119 32 GLU CA C 57.974 0.000 . 149 119 32 GLU CB C 29.527 0.000 . 150 119 32 GLU N N 117.839 0.043 . 151 120 33 LEU H H 7.774 0.000 . 152 120 33 LEU C C 177.458 0.000 . 153 120 33 LEU CA C 56.336 0.000 . 154 120 33 LEU CB C 42.336 0.000 . 155 120 33 LEU N N 119.239 0.029 . 156 121 34 ASP H H 7.844 0.000 . 157 121 34 ASP C C 175.020 0.000 . 158 121 34 ASP CA C 53.730 0.000 . 159 121 34 ASP CB C 41.144 0.000 . 160 121 34 ASP N N 118.469 0.043 . 161 122 35 ASP H H 8.435 0.000 . 162 122 35 ASP C C 177.056 0.000 . 163 122 35 ASP CA C 54.996 0.000 . 164 122 35 ASP CB C 40.400 0.000 . 165 122 35 ASP N N 122.653 0.043 . 166 123 36 LYS H H 8.231 0.000 . 167 123 36 LYS C C 177.209 0.000 . 168 123 36 LYS CA C 55.740 0.000 . 169 123 36 LYS CB C 32.357 0.000 . 170 123 36 LYS N N 118.373 0.043 . 171 124 37 ILE H H 7.364 0.000 . 172 124 37 ILE C C 175.896 0.000 . 173 124 37 ILE CA C 61.698 0.000 . 174 124 37 ILE CB C 38.985 0.000 . 175 124 37 ILE N N 122.166 0.043 . 176 125 38 THR H H 8.677 0.000 . 177 125 38 THR CA C 60.283 0.000 . 178 125 38 THR CB C 68.847 0.000 . 179 125 38 THR N N 120.398 0.043 . 180 126 39 PRO C C 178.753 0.000 . 181 127 40 GLU H H 8.737 0.000 . 182 127 40 GLU C C 179.134 0.000 . 183 127 40 GLU CA C 60.134 0.000 . 184 127 40 GLU CB C 28.708 0.000 . 185 127 40 GLU N N 116.397 0.043 . 186 128 41 ASP H H 7.806 0.000 . 187 128 41 ASP C C 179.020 0.000 . 188 128 41 ASP CA C 57.006 0.000 . 189 128 41 ASP CB C 40.027 0.000 . 190 128 41 ASP N N 122.084 0.043 . 191 129 42 LEU H H 8.460 0.000 . 192 129 42 LEU C C 178.166 0.000 . 193 129 42 LEU CA C 58.272 0.000 . 194 129 42 LEU CB C 41.814 0.000 . 195 129 42 LEU N N 123.181 0.043 . 196 130 43 ASP H H 8.170 0.000 . 197 130 43 ASP C C 179.249 0.000 . 198 130 43 ASP CA C 57.602 0.000 . 199 130 43 ASP CB C 40.325 0.000 . 200 130 43 ASP N N 118.370 0.000 . 201 131 44 MET H H 7.700 0.000 . 202 131 44 MET C C 178.487 0.000 . 203 131 44 MET CA C 58.421 0.000 . 204 131 44 MET CB C 32.282 0.000 . 205 131 44 MET N N 118.976 0.043 . 206 132 45 MET H H 8.252 0.000 . 207 132 45 MET C C 178.492 0.000 . 208 132 45 MET CA C 33.101 0.000 . 209 132 45 MET CB C 58.942 0.000 . 210 132 45 MET N N 120.236 0.043 . 211 133 46 ILE H H 8.290 0.000 . 212 133 46 ILE C C 177.306 0.000 . 213 133 46 ILE CA C 63.932 0.000 . 214 133 46 ILE CB C 36.453 0.000 . 215 133 46 ILE N N 118.458 0.043 . 216 134 47 GLN H H 7.751 0.000 . 217 134 47 GLN C C 177.649 0.000 . 218 134 47 GLN CA C 58.421 0.000 . 219 134 47 GLN CB C 28.484 0.000 . 220 134 47 GLN N N 118.062 0.043 . 221 135 48 GLU H H 7.627 0.000 . 222 135 48 GLU C C 178.068 0.000 . 223 135 48 GLU CA C 58.272 0.000 . 224 135 48 GLU CB C 29.676 0.000 . 225 135 48 GLU N N 117.128 0.043 . 226 136 49 ILE H H 7.933 0.000 . 227 136 49 ILE C C 176.734 0.000 . 228 136 49 ILE CA C 63.336 0.000 . 229 136 49 ILE CB C 39.059 0.000 . 230 136 49 ILE N N 117.758 0.043 . 231 137 50 ASP H H 8.375 0.000 . 232 137 50 ASP C C 177.801 0.000 . 233 137 50 ASP CA C 52.315 0.000 . 234 137 50 ASP CB C 39.282 0.000 . 235 137 50 ASP N N 120.601 0.043 . 236 138 51 SER H H 7.954 0.000 . 237 138 51 SER CA C 60.804 0.000 . 238 138 51 SER CB C 63.113 0.000 . 239 138 51 SER N N 118.406 0.000 . 240 139 52 ASP H H 8.342 0.000 . 241 139 52 ASP C C 177.496 0.000 . 242 139 52 ASP CA C 52.985 0.000 . 243 139 52 ASP CB C 40.325 0.000 . 244 139 52 ASP N N 118.807 0.043 . 245 140 53 GLY H H 8.001 0.000 . 246 140 53 GLY C C 175.439 0.000 . 247 140 53 GLY CA C 46.878 0.000 . 248 140 53 GLY N N 110.295 0.047 . 249 141 54 SER H H 8.826 0.000 . 250 141 54 SER C C 176.405 0.000 . 251 141 54 SER N N 117.712 0.050 . 252 142 55 GLY H H 10.526 0.000 . 253 142 55 GLY C C 174.334 0.000 . 254 142 55 GLY CA C 45.538 0.000 . 255 142 55 GLY N N 115.701 0.050 . 256 143 56 THR H H 7.933 0.000 . 257 143 56 THR CA C 59.315 0.000 . 258 143 56 THR CB C 72.124 0.000 . 259 143 56 THR N N 112.644 0.040 . 260 144 57 VAL C C 174.334 0.000 . 261 145 58 ASP H H 8.622 0.000 . 262 145 58 ASP C C 176.163 0.000 . 263 145 58 ASP CA C 52.464 0.000 . 264 145 58 ASP CB C 42.187 0.000 . 265 145 58 ASP N N 125.781 0.043 . 266 146 59 PHE H H 8.473 0.000 . 267 146 59 PHE C C 176.328 0.000 . 268 146 59 PHE CA C 61.772 0.000 . 269 146 59 PHE N N 121.373 0.043 . 270 147 60 ASP H H 8.159 0.000 . 271 147 60 ASP C C 179.134 0.000 . 272 147 60 ASP CA C 57.751 0.000 . 273 147 60 ASP CB C 40.176 0.000 . 274 147 60 ASP N N 118.408 0.043 . 275 148 61 GLU H H 8.219 0.000 . 276 148 61 GLU C C 178.683 0.000 . 277 148 61 GLU CA C 58.868 0.000 . 278 148 61 GLU CB C 29.452 0.000 . 279 148 61 GLU N N 121.788 0.004 . 280 149 62 PHE H H 8.227 0.000 . 281 149 62 PHE C C 176.391 0.000 . 282 149 62 PHE CA C 60.581 0.000 . 283 149 62 PHE CB C 39.506 0.000 . 284 149 62 PHE N N 120.012 0.043 . 285 150 63 MET H H 8.286 0.000 . 286 150 63 MET C C 177.839 0.000 . 287 150 63 MET CA C 57.155 0.000 . 288 150 63 MET CB C 31.165 0.000 . 289 150 63 MET N N 117.311 0.043 . 290 151 64 GLU H H 7.702 0.000 . 291 151 64 GLU C C 178.487 0.000 . 292 151 64 GLU CA C 58.645 0.000 . 293 151 64 GLU CB C 29.155 0.000 . 294 151 64 GLU N N 118.375 0.000 . 295 152 65 VAL H H 7.411 0.000 . 296 152 65 VAL C C 177.228 0.000 . 297 152 65 VAL CA C 64.229 0.000 . 298 152 65 VAL CB C 32.208 0.000 . 299 152 65 VAL N N 116.884 0.043 . 300 153 66 MET H H 7.731 0.000 . 301 153 66 MET C C 177.306 0.000 . 302 153 66 MET CA C 55.740 0.000 . 303 153 66 MET CB C 31.836 0.000 . 304 153 66 MET N N 118.368 0.042 . 305 154 67 ILE H H 7.926 0.000 . 306 154 67 ILE C C 176.772 0.000 . 307 154 67 ILE CA C 61.399 0.000 . 308 154 67 ILE CB C 38.834 0.000 . 309 154 67 ILE N N 117.960 0.043 . 310 155 68 GLY H H 7.929 0.000 . 311 155 68 GLY C C 174.525 0.000 . 312 155 68 GLY CA C 45.462 0.000 . 313 155 68 GLY N N 111.026 0.047 . 314 156 69 GLY H H 8.227 0.000 . 315 156 69 GLY C C 173.839 0.000 . 316 156 69 GLY CA C 45.239 0.000 . 317 156 69 GLY N N 108.974 0.047 . 318 157 70 ASP H H 8.295 0.000 . 319 157 70 ASP C C 175.287 0.000 . 320 157 70 ASP CA C 54.250 0.000 . 321 157 70 ASP CB C 41.366 0.000 . 322 157 70 ASP N N 120.967 0.043 . 323 158 71 GLU H H 7.972 0.000 . 324 158 71 GLU CA C 58.048 0.000 . 325 158 71 GLU CB C 31.239 0.000 . 326 158 71 GLU N N 125.903 0.043 . stop_ save_