data_26770 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; CP12 reduced state ; _BMRB_accession_number 26770 _BMRB_flat_file_name bmr26770.str _Entry_type original _Submission_date 2016-03-24 _Accession_date 2016-03-24 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details 'CP12 in reduced state from chlamydomonas reinhardtii' loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Launay Helene . . 2 Barre Patrick . . 3 Puppo Carine . . 4 Receveur-Brechot Veronique . . 5 Gontero-Meunier Brigitte . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 381 "13C chemical shifts" 263 "15N chemical shifts" 85 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2016-09-02 original BMRB . stop_ loop_ _Related_BMRB_accession_number _Relationship 26013 'CP12 oxydised' stop_ _Original_release_date 2016-09-02 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Absence of residual structure in the intrinsically disordered regulatory protein CP12 in its reduced state ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 27268235 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Launay Helene . . 2 Barre Patrick . . 3 Puppo Carine . . 4 Manneville Stephanie . . 5 Gontero-Meunier Brigitte . . 6 Receveur-Brechot Veronique . . stop_ _Journal_abbreviation 'Biochem. Biophys. Res. Commun.' _Journal_volume 477 _Journal_issue 1 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 20 _Page_last 26 _Year 2016 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'CP12 reduced' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'CP12 reduced' $CP12_reduced 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_CP12_reduced _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common CP12_reduced _Molecular_mass . _Mol_thiol_state 'all reduced' loop_ _Biological_function 'Calvin cycle regulatory protein' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 99 _Mol_residue_sequence ; HHHHHHHHHSSGHIEGRHMS GQPAVDLNKKVQDAVKEAED ACAKGTSADCAVAWDTVEEL SAAVSHKKDAVKADVTLTDP LEAFCKDAPDADECRVYED ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 -10 HIS 2 -9 HIS 3 -8 HIS 4 -7 HIS 5 -6 HIS 6 -5 HIS 7 -4 HIS 8 -3 HIS 9 -2 HIS 10 -1 SER 11 0 SER 12 1 GLY 13 2 HIS 14 3 ILE 15 4 GLU 16 5 GLY 17 6 ARG 18 7 HIS 19 8 MET 20 9 SER 21 10 GLY 22 11 GLN 23 12 PRO 24 13 ALA 25 14 VAL 26 15 ASP 27 16 LEU 28 17 ASN 29 18 LYS 30 19 LYS 31 20 VAL 32 21 GLN 33 22 ASP 34 23 ALA 35 24 VAL 36 25 LYS 37 26 GLU 38 27 ALA 39 28 GLU 40 29 ASP 41 30 ALA 42 31 CYS 43 32 ALA 44 33 LYS 45 34 GLY 46 35 THR 47 36 SER 48 37 ALA 49 38 ASP 50 39 CYS 51 40 ALA 52 41 VAL 53 42 ALA 54 43 TRP 55 44 ASP 56 45 THR 57 46 VAL 58 47 GLU 59 48 GLU 60 49 LEU 61 50 SER 62 51 ALA 63 52 ALA 64 53 VAL 65 54 SER 66 55 HIS 67 56 LYS 68 57 LYS 69 58 ASP 70 59 ALA 71 60 VAL 72 61 LYS 73 62 ALA 74 63 ASP 75 64 VAL 76 65 THR 77 66 LEU 78 67 THR 79 68 ASP 80 69 PRO 81 70 LEU 82 71 GLU 83 72 ALA 84 73 PHE 85 74 CYS 86 75 LYS 87 76 ASP 88 77 ALA 89 78 PRO 90 79 ASP 91 80 ALA 92 81 ASP 93 82 GLU 94 83 CYS 95 84 ARG 96 85 VAL 97 86 TYR 98 87 GLU 99 88 ASP 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 _Gene_mnemonic $CP12_reduced 'green algae' 3055 Eukaryota Viridiplantae Chlamydomonas reinhardtii 'CP12 protein' 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 $CP12_reduced 'recombinant technology' . Escherichia coli . pGEM-T stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details '20mM DTT' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $CP12_reduced 770 uM '[U-100% 13C; U-100% 15N]' DTT 20 mM 'natural abundance' 'sodium phosphate' 50 mM 'natural abundance' 'sodium chloride' 50 mM 'natural abundance' 'sodium azide' 2 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_CcpNMR _Saveframe_category software _Name CcpNMR _Version . loop_ _Vendor _Address _Electronic_address CCPN . . 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 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_CBCA(CO)NH_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCACB_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _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_HCCH-TOCSY_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_3D_HCACO_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCACO' _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 6.5 . pH pressure 1 . atm temperature 273 . 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 water C 13 protons ppm 4.7 na indirect . . . 0.25 water H 1 protons ppm 4.7 internal direct . . . 1 water N 15 protons ppm 4.7 na indirect . . . 0.10 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 $CcpNMR stop_ loop_ _Experiment_label '2D 1H-15N HSQC' '3D CBCA(CO)NH' '3D HNCACB' '3D HNCO' '3D HCCH-TOCSY' '3D HCACO' 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 'CP12 reduced' _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 -9 10 SER C C 174.841 . . 2 -9 10 SER CA C 58.638 . . 3 -9 10 SER CB C 64.246 . . 4 -8 11 SER H H 8.510 . . 5 -8 11 SER C C 175.216 . . 6 -8 11 SER CA C 59.089 . . 7 -8 11 SER CB C 63.816 . . 8 -8 11 SER N N 117.998 . . 9 -7 12 GLY H H 8.421 . . 10 -7 12 GLY C C 173.997 . . 11 -7 12 GLY CA C 45.342 . . 12 -7 12 GLY N N 110.426 . . 13 -6 13 HIS H H 8.204 . . 14 -6 13 HIS HA H 4.325 . . 15 -6 13 HIS C C 175.169 . . 16 -6 13 HIS CA C 56.127 . . 17 -6 13 HIS CB C 30.302 . . 18 -6 13 HIS N N 119.469 . . 19 -5 14 ILE H H 8.118 . . 20 -5 14 ILE HA H 4.126 . . 21 -5 14 ILE HB H 1.769 . . 22 -5 14 ILE HG12 H 1.370 . . 23 -5 14 ILE HG13 H 1.370 . . 24 -5 14 ILE HG2 H 0.806 . . 25 -5 14 ILE HD1 H 0.806 . . 26 -5 14 ILE C C 176.200 . . 27 -5 14 ILE CA C 61.216 . . 28 -5 14 ILE CB C 38.895 . . 29 -5 14 ILE N N 123.310 . . 30 -4 15 GLU H H 8.567 . . 31 -4 15 GLU HA H 4.259 . . 32 -4 15 GLU HB2 H 2.031 . . 33 -4 15 GLU HB3 H 1.935 . . 34 -4 15 GLU HG2 H 2.267 . . 35 -4 15 GLU HG3 H 2.267 . . 36 -4 15 GLU C C 177.091 . . 37 -4 15 GLU CA C 56.958 . . 38 -4 15 GLU CB C 30.302 . . 39 -4 15 GLU N N 125.438 . . 40 -3 16 GLY H H 8.440 . . 41 -3 16 GLY HA2 H 3.927 . . 42 -3 16 GLY HA3 H 3.927 . . 43 -3 16 GLY C C 174.326 . . 44 -3 16 GLY CA C 45.669 . . 45 -3 16 GLY N N 110.337 . . 46 -2 17 ARG H H 8.130 . . 47 -2 17 ARG HB2 H 1.702 . . 48 -2 17 ARG HB3 H 1.702 . . 49 -2 17 ARG HG2 H 1.503 . . 50 -2 17 ARG HG3 H 1.503 . . 51 -2 17 ARG HD2 H 3.130 . . 52 -2 17 ARG HD3 H 3.130 . . 53 -2 17 ARG C C 176.342 . . 54 -2 17 ARG CA C 56.430 . . 55 -2 17 ARG CB C 30.733 . . 56 -2 17 ARG N N 120.271 . . 57 0 19 MET C C 176.294 . . 58 0 19 MET CA C 55.653 . . 59 0 19 MET CB C 32.880 . . 60 1 20 SER H H 8.387 . . 61 1 20 SER HA H 4.558 . . 62 1 20 SER HB2 H 3.894 . . 63 1 20 SER HB3 H 3.894 . . 64 1 20 SER C C 175.169 . . 65 1 20 SER CA C 58.725 . . 66 1 20 SER CB C 64.246 . . 67 1 20 SER N N 117.106 . . 68 2 21 GLY H H 8.473 . . 69 2 21 GLY HA2 H 3.960 . . 70 2 21 GLY HA3 H 3.960 . . 71 2 21 GLY C C 173.951 . . 72 2 21 GLY CA C 45.401 . . 73 2 21 GLY N N 110.851 . . 74 3 22 GLN H H 8.167 . . 75 3 22 GLN HB2 H 1.935 . . 76 3 22 GLN HB3 H 2.068 . . 77 3 22 GLN HG2 H 2.366 . . 78 3 22 GLN HG3 H 2.366 . . 79 3 22 GLN C C 174.139 . . 80 3 22 GLN CA C 53.892 . . 81 3 22 GLN CB C 29.012 . . 82 3 22 GLN N N 120.674 . . 83 4 23 PRO C C 176.716 . . 84 4 23 PRO CA C 63.384 . . 85 4 23 PRO CB C 32.449 . . 86 5 24 ALA H H 8.386 . . 87 5 24 ALA HA H 4.325 . . 88 5 24 ALA HB H 1.370 . . 89 5 24 ALA C C 177.982 . . 90 5 24 ALA CA C 52.623 . . 91 5 24 ALA CB C 19.130 . . 92 5 24 ALA N N 124.522 . . 93 6 25 VAL H H 8.042 . . 94 6 25 VAL HA H 4.093 . . 95 6 25 VAL HB H 2.034 . . 96 6 25 VAL HG1 H 0.806 . . 97 6 25 VAL HG2 H 0.905 . . 98 6 25 VAL C C 175.825 . . 99 6 25 VAL CA C 62.485 . . 100 6 25 VAL CB C 33.309 . . 101 6 25 VAL N N 119.073 . . 102 7 26 ASP H H 8.349 . . 103 7 26 ASP HA H 4.624 . . 104 7 26 ASP HB2 H 2.732 . . 105 7 26 ASP HB3 H 2.566 . . 106 7 26 ASP C C 176.763 . . 107 7 26 ASP CA C 54.263 . . 108 7 26 ASP CB C 41.473 . . 109 7 26 ASP N N 123.889 . . 110 8 27 LEU H H 8.303 . . 111 8 27 LEU HA H 4.226 . . 112 8 27 LEU HB2 H 1.636 . . 113 8 27 LEU HB3 H 1.636 . . 114 8 27 LEU HG H 1.636 . . 115 8 27 LEU HD1 H 0.872 . . 116 8 27 LEU HD2 H 0.872 . . 117 8 27 LEU C C 177.794 . . 118 8 27 LEU CA C 56.060 . . 119 8 27 LEU CB C 42.333 . . 120 8 27 LEU N N 123.860 . . 121 9 28 ASN H H 8.421 . . 122 9 28 ASN HA H 4.690 . . 123 9 28 ASN HB2 H 2.798 . . 124 9 28 ASN HB3 H 2.798 . . 125 9 28 ASN C C 175.544 . . 126 9 28 ASN CA C 53.892 . . 127 9 28 ASN CB C 38.895 . . 128 9 28 ASN N N 118.044 . . 129 10 29 LYS H H 7.919 . . 130 10 29 LYS HB2 H 1.835 . . 131 10 29 LYS HB3 H 1.835 . . 132 10 29 LYS HG2 H 1.403 . . 133 10 29 LYS HG3 H 1.403 . . 134 10 29 LYS HD2 H 1.736 . . 135 10 29 LYS HD3 H 1.736 . . 136 10 29 LYS HE2 H 2.997 . . 137 10 29 LYS HE3 H 2.997 . . 138 10 29 LYS C C 176.622 . . 139 10 29 LYS CA C 56.880 . . 140 10 29 LYS CB C 32.880 . . 141 10 29 LYS N N 121.227 . . 142 11 30 LYS H H 8.242 . . 143 11 30 LYS HA H 4.325 . . 144 11 30 LYS HB2 H 1.802 . . 145 11 30 LYS HB3 H 1.802 . . 146 11 30 LYS HG2 H 1.403 . . 147 11 30 LYS HG3 H 1.403 . . 148 11 30 LYS HD2 H 1.685 . . 149 11 30 LYS HD3 H 1.685 . . 150 11 30 LYS HE2 H 2.997 . . 151 11 30 LYS HE3 H 2.997 . . 152 11 30 LYS C C 177.138 . . 153 11 30 LYS CA C 56.880 . . 154 11 30 LYS CB C 32.880 . . 155 11 30 LYS N N 122.584 . . 156 12 31 VAL H H 8.117 . . 157 12 31 VAL HA H 4.060 . . 158 12 31 VAL HB H 2.068 . . 159 12 31 VAL HG1 H 0.939 . . 160 12 31 VAL HG2 H 0.939 . . 161 12 31 VAL C C 176.529 . . 162 12 31 VAL CA C 62.935 . . 163 12 31 VAL CB C 32.879 . . 164 12 31 VAL N N 121.664 . . 165 13 32 GLN H H 8.423 . . 166 13 32 GLN HA H 4.325 . . 167 13 32 GLN HB2 H 2.001 . . 168 13 32 GLN HB3 H 2.101 . . 169 13 32 GLN HG2 H 2.366 . . 170 13 32 GLN HG3 H 2.366 . . 171 13 32 GLN C C 176.107 . . 172 13 32 GLN CA C 56.471 . . 173 13 32 GLN CB C 29.443 . . 174 13 32 GLN N N 123.629 . . 175 14 33 ASP H H 8.348 . . 176 14 33 ASP HA H 4.558 . . 177 14 33 ASP HB2 H 2.698 . . 178 14 33 ASP HB3 H 2.599 . . 179 14 33 ASP C C 176.248 . . 180 14 33 ASP CA C 54.792 . . 181 14 33 ASP CB C 41.473 . . 182 14 33 ASP N N 121.952 . . 183 15 34 ALA H H 8.168 . . 184 15 34 ALA HB H 1.271 . . 185 15 34 ALA C C 178.357 . . 186 15 34 ALA CA C 53.072 . . 187 15 34 ALA CB C 19.129 . . 188 15 34 ALA N N 124.123 . . 189 16 35 VAL H H 8.062 . . 190 16 35 VAL C C 176.716 . . 191 16 35 VAL CA C 63.306 . . 192 16 35 VAL CB C 32.450 . . 193 16 35 VAL N N 119.841 . . 194 17 36 LYS H H 8.224 . . 195 17 36 LYS HA H 4.292 . . 196 17 36 LYS HB2 H 1.802 . . 197 17 36 LYS HB3 H 1.802 . . 198 17 36 LYS HG2 H 1.437 . . 199 17 36 LYS HG3 H 1.437 . . 200 17 36 LYS HE2 H 2.997 . . 201 17 36 LYS HE3 H 2.997 . . 202 17 36 LYS C C 177.044 . . 203 17 36 LYS CA C 56.880 . . 204 17 36 LYS CB C 33.309 . . 205 17 36 LYS N N 124.821 . . 206 18 37 GLU H H 8.405 . . 207 18 37 GLU HA H 4.226 . . 208 18 37 GLU HB2 H 1.935 . . 209 18 37 GLU HB3 H 1.935 . . 210 18 37 GLU HG2 H 2.300 . . 211 18 37 GLU HG3 H 2.300 . . 212 18 37 GLU C C 176.810 . . 213 18 37 GLU CA C 57.351 . . 214 18 37 GLU CB C 30.301 . . 215 18 37 GLU N N 121.992 . . 216 19 38 ALA H H 8.205 . . 217 19 38 ALA C C 178.404 . . 218 19 38 ALA CA C 53.072 . . 219 19 38 ALA CB C 19.560 . . 220 19 38 ALA N N 123.988 . . 221 20 39 GLU H H 8.351 . . 222 20 39 GLU HA H 4.227 . . 223 20 39 GLU HB2 H 1.981 . . 224 20 39 GLU HB3 H 1.981 . . 225 20 39 GLU HG2 H 2.273 . . 226 20 39 GLU HG3 H 2.273 . . 227 20 39 GLU C C 176.998 . . 228 20 39 GLU CA C 57.329 . . 229 20 39 GLU CB C 30.301 . . 230 20 39 GLU N N 120.310 . . 231 21 40 ASP H H 8.347 . . 232 21 40 ASP HA H 4.591 . . 233 21 40 ASP HB2 H 2.665 . . 234 21 40 ASP HB3 H 2.665 . . 235 21 40 ASP C C 176.763 . . 236 21 40 ASP CA C 54.795 . . 237 21 40 ASP CB C 41.472 . . 238 21 40 ASP N N 121.059 . . 239 22 41 ALA H H 8.187 . . 240 22 41 ALA C C 178.498 . . 241 22 41 ALA CA C 53.455 . . 242 22 41 ALA CB C 19.131 . . 243 22 41 ALA N N 124.048 . . 244 23 42 CYS H H 8.206 . . 245 23 42 CYS HA H 4.425 . . 246 23 42 CYS HB2 H 2.964 . . 247 23 42 CYS HB3 H 2.964 . . 248 23 42 CYS C C 174.982 . . 249 23 42 CYS CA C 59.128 . . 250 23 42 CYS CB C 27.722 . . 251 23 42 CYS N N 117.325 . . 252 24 43 ALA H H 8.169 . . 253 24 43 ALA HA H 4.325 . . 254 24 43 ALA HB H 1.404 . . 255 24 43 ALA C C 178.076 . . 256 24 43 ALA CA C 53.072 . . 257 24 43 ALA CB C 19.131 . . 258 24 43 ALA N N 125.596 . . 259 25 44 LYS H H 8.205 . . 260 25 44 LYS HA H 4.325 . . 261 25 44 LYS HB2 H 1.780 . . 262 25 44 LYS HB3 H 1.780 . . 263 25 44 LYS HG2 H 1.455 . . 264 25 44 LYS HG3 H 1.455 . . 265 25 44 LYS HE2 H 2.997 . . 266 25 44 LYS HE3 H 2.997 . . 267 25 44 LYS C C 177.466 . . 268 25 44 LYS CA C 56.803 . . 269 25 44 LYS CB C 33.309 . . 270 25 44 LYS N N 120.259 . . 271 26 45 GLY H H 8.366 . . 272 26 45 GLY HA2 H 4.027 . . 273 26 45 GLY HA3 H 4.027 . . 274 26 45 GLY C C 174.607 . . 275 26 45 GLY CA C 45.455 . . 276 26 45 GLY N N 109.695 . . 277 27 46 THR H H 8.099 . . 278 27 46 THR HA H 4.443 . . 279 27 46 THR HB H 4.296 . . 280 27 46 THR HG2 H 1.198 . . 281 27 46 THR C C 175.029 . . 282 27 46 THR CA C 61.759 . . 283 27 46 THR CB C 70.263 . . 284 27 46 THR N N 113.171 . . 285 28 47 SER H H 8.368 . . 286 28 47 SER HA H 4.491 . . 287 28 47 SER HB2 H 3.894 . . 288 28 47 SER HB3 H 3.894 . . 289 28 47 SER C C 174.701 . . 290 28 47 SER CA C 58.677 . . 291 28 47 SER CB C 64.247 . . 292 28 47 SER N N 118.073 . . 293 29 48 ALA H H 8.369 . . 294 29 48 ALA HA H 4.325 . . 295 29 48 ALA HB H 1.404 . . 296 29 48 ALA C C 177.792 . . 297 29 48 ALA CA C 53.071 . . 298 29 48 ALA CB C 19.559 . . 299 29 48 ALA N N 125.885 . . 300 30 49 ASP H H 8.223 . . 301 30 49 ASP HA H 4.591 . . 302 30 49 ASP HB2 H 2.632 . . 303 30 49 ASP HB3 H 2.732 . . 304 30 49 ASP C C 176.435 . . 305 30 49 ASP CA C 54.791 . . 306 30 49 ASP CB C 41.044 . . 307 30 49 ASP N N 118.993 . . 308 31 50 CYS H H 8.098 . . 309 31 50 CYS HA H 4.491 . . 310 31 50 CYS HB2 H 2.931 . . 311 31 50 CYS HB3 H 2.931 . . 312 31 50 CYS C C 174.372 . . 313 31 50 CYS CA C 58.677 . . 314 31 50 CYS CB C 28.154 . . 315 31 50 CYS N N 119.084 . . 316 32 51 ALA H H 8.278 . . 317 32 51 ALA HA H 4.325 . . 318 32 51 ALA HB H 1.370 . . 319 32 51 ALA C C 177.700 . . 320 32 51 ALA CA C 52.980 . . 321 32 51 ALA CB C 19.560 . . 322 32 51 ALA N N 126.316 . . 323 33 52 VAL H H 7.935 . . 324 33 52 VAL HA H 3.994 . . 325 33 52 VAL HB H 1.868 . . 326 33 52 VAL HG1 H 0.806 . . 327 33 52 VAL HG2 H 0.706 . . 328 33 52 VAL C C 175.779 . . 329 33 52 VAL CA C 62.115 . . 330 33 52 VAL CB C 32.879 . . 331 33 52 VAL N N 118.997 . . 332 34 53 ALA H H 8.167 . . 333 34 53 ALA HA H 4.325 . . 334 34 53 ALA HB H 1.304 . . 335 34 53 ALA C C 177.467 . . 336 34 53 ALA CA C 52.252 . . 337 34 53 ALA CB C 19.561 . . 338 34 53 ALA N N 127.499 . . 339 35 54 TRP H H 7.986 . . 340 35 54 TRP HA H 4.691 . . 341 35 54 TRP HB2 H 3.230 . . 342 35 54 TRP HB3 H 3.329 . . 343 35 54 TRP C C 176.107 . . 344 35 54 TRP CA C 57.352 . . 345 35 54 TRP CB C 29.872 . . 346 35 54 TRP N N 120.624 . . 347 35 54 TRP NE1 N 129.442 . . 348 36 55 ASP H H 8.260 . . 349 36 55 ASP HA H 4.359 . . 350 36 55 ASP C C 176.435 . . 351 36 55 ASP CA C 54.409 . . 352 36 55 ASP CB C 41.044 . . 353 36 55 ASP N N 120.947 . . 354 37 56 THR H H 7.936 . . 355 37 56 THR HA H 4.425 . . 356 37 56 THR HB H 4.325 . . 357 37 56 THR HG2 H 1.171 . . 358 37 56 THR C C 174.794 . . 359 37 56 THR CA C 62.115 . . 360 37 56 THR CB C 70.262 . . 361 37 56 THR N N 114.061 . . 362 38 57 VAL H H 8.115 . . 363 38 57 VAL HA H 4.060 . . 364 38 57 VAL HB H 2.101 . . 365 38 57 VAL HG1 H 0.906 . . 366 38 57 VAL HG2 H 0.906 . . 367 38 57 VAL C C 176.668 . . 368 38 57 VAL CA C 62.960 . . 369 38 57 VAL CB C 32.881 . . 370 38 57 VAL N N 122.349 . . 371 39 58 GLU H H 8.441 . . 372 39 58 GLU HA H 4.226 . . 373 39 58 GLU HB2 H 1.902 . . 374 39 58 GLU HB3 H 1.902 . . 375 39 58 GLU HG2 H 2.234 . . 376 39 58 GLU HG3 H 2.234 . . 377 39 58 GLU C C 176.904 . . 378 39 58 GLU CA C 57.227 . . 379 39 58 GLU CB C 30.302 . . 380 39 58 GLU N N 124.546 . . 381 40 59 GLU H H 8.367 . . 382 40 59 GLU HA H 4.226 . . 383 40 59 GLU HB2 H 1.968 . . 384 40 59 GLU HB3 H 1.968 . . 385 40 59 GLU HG2 H 2.234 . . 386 40 59 GLU HG3 H 2.234 . . 387 40 59 GLU C C 177.091 . . 388 40 59 GLU CA C 57.203 . . 389 40 59 GLU CB C 30.302 . . 390 40 59 GLU N N 122.187 . . 391 41 60 LEU H H 8.260 . . 392 41 60 LEU HA H 4.358 . . 393 41 60 LEU HD1 H 0.872 . . 394 41 60 LEU HD2 H 0.872 . . 395 41 60 LEU C C 178.029 . . 396 41 60 LEU CA C 56.033 . . 397 41 60 LEU CB C 42.333 . . 398 41 60 LEU N N 123.156 . . 399 42 61 SER H H 8.223 . . 400 42 61 SER HA H 4.392 . . 401 42 61 SER HB2 H 3.894 . . 402 42 61 SER HB3 H 3.894 . . 403 42 61 SER C C 174.935 . . 404 42 61 SER CA C 59.070 . . 405 42 61 SER CB C 63.819 . . 406 42 61 SER N N 115.914 . . 407 43 62 ALA H H 8.186 . . 408 43 62 ALA HA H 4.325 . . 409 43 62 ALA HB H 1.404 . . 410 43 62 ALA C C 177.887 . . 411 43 62 ALA CA C 53.073 . . 412 43 62 ALA CB C 19.131 . . 413 43 62 ALA N N 125.590 . . 414 44 63 ALA H H 8.079 . . 415 44 63 ALA HA H 4.292 . . 416 44 63 ALA HB H 1.370 . . 417 44 63 ALA C C 178.310 . . 418 44 63 ALA CA C 53.073 . . 419 44 63 ALA CB C 19.132 . . 420 44 63 ALA N N 122.378 . . 421 45 64 VAL H H 7.900 . . 422 45 64 VAL HA H 4.093 . . 423 45 64 VAL HB H 2.068 . . 424 45 64 VAL HG1 H 0.905 . . 425 45 64 VAL HG2 H 0.905 . . 426 45 64 VAL C C 176.529 . . 427 45 64 VAL CA C 62.564 . . 428 45 64 VAL CB C 32.880 . . 429 45 64 VAL N N 118.092 . . 430 46 65 SER H H 8.206 . . 431 46 65 SER HA H 4.425 . . 432 46 65 SER HB2 H 3.827 . . 433 46 65 SER HB3 H 3.827 . . 434 46 65 SER C C 174.700 . . 435 46 65 SER CA C 58.602 . . 436 46 65 SER CB C 63.824 . . 437 46 65 SER N N 118.400 . . 438 47 66 HIS C C 175.175 . . 439 47 66 HIS CA C 56.111 . . 440 47 66 HIS CB C 30.303 . . 441 48 67 LYS H H 8.229 . . 442 48 67 LYS HA H 4.325 . . 443 48 67 LYS HB2 H 1.802 . . 444 48 67 LYS HB3 H 1.802 . . 445 48 67 LYS HG2 H 1.403 . . 446 48 67 LYS HG3 H 1.403 . . 447 48 67 LYS HD2 H 1.685 . . 448 48 67 LYS HD3 H 1.685 . . 449 48 67 LYS HE2 H 2.997 . . 450 48 67 LYS HE3 H 2.997 . . 451 48 67 LYS C C 176.811 . . 452 48 67 LYS CA C 56.881 . . 453 48 67 LYS CB C 33.312 . . 454 48 67 LYS N N 122.696 . . 455 49 68 LYS H H 8.405 . . 456 49 68 LYS HA H 4.292 . . 457 49 68 LYS HB2 H 1.769 . . 458 49 68 LYS HB3 H 1.769 . . 459 49 68 LYS HG2 H 1.404 . . 460 49 68 LYS HG3 H 1.404 . . 461 49 68 LYS HD2 H 1.769 . . 462 49 68 LYS HD3 H 1.769 . . 463 49 68 LYS HE2 H 2.997 . . 464 49 68 LYS HE3 H 2.997 . . 465 49 68 LYS C C 176.529 . . 466 49 68 LYS CA C 56.902 . . 467 49 68 LYS CB C 33.308 . . 468 49 68 LYS N N 122.775 . . 469 50 69 ASP H H 8.279 . . 470 50 69 ASP HA H 4.591 . . 471 50 69 ASP HB2 H 2.599 . . 472 50 69 ASP HB3 H 2.698 . . 473 50 69 ASP C C 176.062 . . 474 50 69 ASP CA C 54.728 . . 475 50 69 ASP CB C 41.473 . . 476 50 69 ASP N N 121.356 . . 477 51 70 ALA H H 8.137 . . 478 51 70 ALA HA H 4.293 . . 479 51 70 ALA HB H 1.403 . . 480 51 70 ALA C C 177.826 . . 481 51 70 ALA CA C 52.701 . . 482 51 70 ALA CB C 19.561 . . 483 51 70 ALA N N 124.001 . . 484 52 71 VAL H H 8.062 . . 485 52 71 VAL HA H 4.159 . . 486 52 71 VAL HB H 2.068 . . 487 52 71 VAL HG1 H 0.906 . . 488 52 71 VAL HG2 H 0.906 . . 489 52 71 VAL C C 176.343 . . 490 52 71 VAL CA C 62.564 . . 491 52 71 VAL CB C 32.881 . . 492 52 71 VAL N N 119.619 . . 493 53 72 LYS H H 8.330 . . 494 53 72 LYS HA H 4.325 . . 495 53 72 LYS HB2 H 1.802 . . 496 53 72 LYS HB3 H 1.802 . . 497 53 72 LYS HG2 H 1.436 . . 498 53 72 LYS HG3 H 1.436 . . 499 53 72 LYS HD2 H 1.736 . . 500 53 72 LYS HD3 H 1.736 . . 501 53 72 LYS C C 176.202 . . 502 53 72 LYS CA C 56.461 . . 503 53 72 LYS CB C 33.310 . . 504 53 72 LYS N N 126.330 . . 505 54 73 ALA H H 8.315 . . 506 54 73 ALA HA H 4.325 . . 507 54 73 ALA HB H 1.370 . . 508 54 73 ALA C C 177.419 . . 509 54 73 ALA CA C 52.623 . . 510 54 73 ALA CB C 19.561 . . 511 54 73 ALA N N 125.841 . . 512 55 74 ASP H H 8.315 . . 513 55 74 ASP HA H 4.624 . . 514 55 74 ASP HB2 H 2.599 . . 515 55 74 ASP HB3 H 2.698 . . 516 55 74 ASP C C 176.579 . . 517 55 74 ASP CA C 54.407 . . 518 55 74 ASP CB C 41.477 . . 519 55 74 ASP N N 120.022 . . 520 56 75 VAL H H 8.062 . . 521 56 75 VAL HA H 4.193 . . 522 56 75 VAL HB H 2.134 . . 523 56 75 VAL HG1 H 0.939 . . 524 56 75 VAL HG2 H 0.939 . . 525 56 75 VAL C C 176.482 . . 526 56 75 VAL CA C 62.486 . . 527 56 75 VAL CB C 32.881 . . 528 56 75 VAL N N 120.075 . . 529 57 76 THR H H 8.330 . . 530 57 76 THR HA H 4.325 . . 531 57 76 THR HB H 4.159 . . 532 57 76 THR HG2 H 1.204 . . 533 57 76 THR C C 174.654 . . 534 57 76 THR CA C 62.486 . . 535 57 76 THR CB C 69.834 . . 536 57 76 THR N N 118.218 . . 537 58 77 LEU H H 8.239 . . 538 58 77 LEU HA H 4.459 . . 539 58 77 LEU HB2 H 1.626 . . 540 58 77 LEU HB3 H 1.626 . . 541 58 77 LEU HG H 1.626 . . 542 58 77 LEU HD1 H 0.872 . . 543 58 77 LEU HD2 H 0.872 . . 544 58 77 LEU C C 177.419 . . 545 58 77 LEU CA C 55.241 . . 546 58 77 LEU CB C 42.772 . . 547 58 77 LEU N N 125.102 . . 548 59 78 THR H H 8.062 . . 549 59 78 THR HA H 4.292 . . 550 59 78 THR HB H 4.159 . . 551 59 78 THR HG2 H 1.171 . . 552 59 78 THR C C 174.139 . . 553 59 78 THR CA C 62.070 . . 554 59 78 THR CB C 70.262 . . 555 59 78 THR N N 115.099 . . 556 60 79 ASP H H 8.331 . . 557 60 79 ASP HB2 H 2.753 . . 558 60 79 ASP HB3 H 2.533 . . 559 60 79 ASP C C 175.040 . . 560 60 79 ASP CA C 52.641 . . 561 60 79 ASP CB C 41.462 . . 562 60 79 ASP N N 124.493 . . 563 61 80 PRO C C 176.488 . . 564 61 80 PRO CA C 63.837 . . 565 61 80 PRO CB C 32.451 . . 566 61 80 PRO N N 120.756 . . 567 62 81 LEU H H 8.354 . . 568 62 81 LEU HA H 4.293 . . 569 62 81 LEU HB2 H 1.702 . . 570 62 81 LEU HB3 H 1.570 . . 571 62 81 LEU HG H 1.570 . . 572 62 81 LEU HD1 H 0.896 . . 573 62 81 LEU HD2 H 0.896 . . 574 62 81 LEU C C 178.170 . . 575 62 81 LEU CA C 55.689 . . 576 62 81 LEU CB C 41.904 . . 577 62 81 LEU N N 121.005 . . 578 63 82 GLU H H 8.046 . . 579 63 82 GLU HA H 4.193 . . 580 63 82 GLU HB2 H 1.935 . . 581 63 82 GLU HB3 H 1.935 . . 582 63 82 GLU HG2 H 2.234 . . 583 63 82 GLU HG3 H 2.234 . . 584 63 82 GLU C C 176.483 . . 585 63 82 GLU CA C 56.959 . . 586 63 82 GLU CB C 30.302 . . 587 63 82 GLU N N 120.748 . . 588 64 83 ALA H H 8.061 . . 589 64 83 ALA HA H 4.226 . . 590 64 83 ALA HB H 1.271 . . 591 64 83 ALA C C 177.607 . . 592 64 83 ALA CA C 52.844 . . 593 64 83 ALA CB C 19.130 . . 594 64 83 ALA N N 123.862 . . 595 65 84 PHE H H 8.023 . . 596 65 84 PHE HA H 4.624 . . 597 65 84 PHE HB2 H 3.163 . . 598 65 84 PHE HB3 H 3.064 . . 599 65 84 PHE C C 175.780 . . 600 65 84 PHE CA C 57.858 . . 601 65 84 PHE CB C 39.757 . . 602 65 84 PHE N N 118.770 . . 603 66 85 CYS H H 8.170 . . 604 66 85 CYS HA H 4.458 . . 605 66 85 CYS HB2 H 2.865 . . 606 66 85 CYS HB3 H 2.865 . . 607 66 85 CYS C C 174.513 . . 608 66 85 CYS CA C 58.682 . . 609 66 85 CYS CB C 28.153 . . 610 66 85 CYS N N 121.340 . . 611 67 86 LYS H H 8.336 . . 612 67 86 LYS HA H 4.292 . . 613 67 86 LYS HB2 H 1.736 . . 614 67 86 LYS HB3 H 1.835 . . 615 67 86 LYS HG2 H 1.437 . . 616 67 86 LYS HG3 H 1.437 . . 617 67 86 LYS HD2 H 1.635 . . 618 67 86 LYS HD3 H 1.635 . . 619 67 86 LYS HE2 H 2.747 . . 620 67 86 LYS HE3 H 2.747 . . 621 67 86 LYS C C 176.201 . . 622 67 86 LYS CA C 56.758 . . 623 67 86 LYS CB C 33.311 . . 624 67 86 LYS N N 124.436 . . 625 68 87 ASP H H 8.241 . . 626 68 87 ASP HA H 4.591 . . 627 68 87 ASP HB2 H 2.665 . . 628 68 87 ASP HB3 H 2.566 . . 629 68 87 ASP C C 175.497 . . 630 68 87 ASP CA C 54.420 . . 631 68 87 ASP CB C 41.478 . . 632 68 87 ASP N N 121.209 . . 633 69 88 ALA H H 8.098 . . 634 69 88 ALA HA H 4.621 . . 635 69 88 ALA HB H 1.338 . . 636 69 88 ALA C C 175.636 . . 637 69 88 ALA CA C 50.532 . . 638 69 88 ALA CB C 18.701 . . 639 69 88 ALA N N 124.910 . . 640 70 89 PRO C C 176.951 . . 641 70 89 PRO CA C 63.386 . . 642 70 89 PRO CB C 32.449 . . 643 71 90 ASP H H 8.384 . . 644 71 90 ASP HA H 4.591 . . 645 71 90 ASP HB2 H 2.641 . . 646 71 90 ASP HB3 H 2.641 . . 647 71 90 ASP C C 176.435 . . 648 71 90 ASP CA C 54.356 . . 649 71 90 ASP CB C 41.475 . . 650 71 90 ASP N N 120.116 . . 651 72 91 ALA H H 8.186 . . 652 72 91 ALA HA H 4.292 . . 653 72 91 ALA HB H 1.271 . . 654 72 91 ALA C C 177.889 . . 655 72 91 ALA CA C 53.075 . . 656 72 91 ALA CB C 19.562 . . 657 72 91 ALA N N 124.311 . . 658 73 92 ASP H H 8.330 . . 659 73 92 ASP HA H 4.591 . . 660 73 92 ASP HB2 H 2.713 . . 661 73 92 ASP HB3 H 2.599 . . 662 73 92 ASP C C 176.794 . . 663 73 92 ASP CA C 54.792 . . 664 73 92 ASP CB C 41.473 . . 665 73 92 ASP N N 119.302 . . 666 74 93 GLU H H 8.279 . . 667 74 93 GLU HA H 4.259 . . 668 74 93 GLU HB2 H 1.979 . . 669 74 93 GLU HB3 H 2.062 . . 670 74 93 GLU HG2 H 2.267 . . 671 74 93 GLU HG3 H 2.267 . . 672 74 93 GLU C C 176.670 . . 673 74 93 GLU CA C 57.182 . . 674 74 93 GLU CB C 30.302 . . 675 74 93 GLU N N 121.119 . . 676 75 94 CYS H H 8.367 . . 677 75 94 CYS HA H 4.568 . . 678 75 94 CYS HB2 H 2.914 . . 679 75 94 CYS HB3 H 2.914 . . 680 75 94 CYS C C 174.653 . . 681 75 94 CYS CA C 59.050 . . 682 75 94 CYS CB C 27.727 . . 683 75 94 CYS N N 120.040 . . 684 76 95 ARG H H 8.206 . . 685 76 95 ARG HA H 4.326 . . 686 76 95 ARG HB2 H 1.702 . . 687 76 95 ARG HB3 H 1.702 . . 688 76 95 ARG HG2 H 1.503 . . 689 76 95 ARG HG3 H 1.503 . . 690 76 95 ARG HD2 H 3.130 . . 691 76 95 ARG HD3 H 3.130 . . 692 76 95 ARG C C 175.830 . . 693 76 95 ARG CA C 56.142 . . 694 76 95 ARG CB C 31.164 . . 695 76 95 ARG N N 123.935 . . 696 77 96 VAL H H 8.066 . . 697 77 96 VAL HA H 4.060 . . 698 77 96 VAL HB H 1.935 . . 699 77 96 VAL HG1 H 0.839 . . 700 77 96 VAL HG2 H 0.839 . . 701 77 96 VAL C C 175.777 . . 702 77 96 VAL CA C 62.417 . . 703 77 96 VAL CB C 32.883 . . 704 77 96 VAL N N 121.568 . . 705 78 97 TYR H H 8.320 . . 706 78 97 TYR HB2 H 2.865 . . 707 78 97 TYR HB3 H 3.064 . . 708 78 97 TYR C C 175.593 . . 709 78 97 TYR CA C 57.847 . . 710 78 97 TYR CB C 39.318 . . 711 78 97 TYR N N 124.406 . . 712 79 98 GLU H H 8.260 . . 713 79 98 GLU HA H 4.358 . . 714 79 98 GLU HB2 H 2.068 . . 715 79 98 GLU HB3 H 2.068 . . 716 79 98 GLU HG2 H 2.216 . . 717 79 98 GLU HG3 H 2.216 . . 718 79 98 GLU C C 175.123 . . 719 79 98 GLU CA C 56.319 . . 720 79 98 GLU CB C 31.163 . . 721 79 98 GLU N N 123.044 . . 722 80 99 ASP H H 7.935 . . 723 80 99 ASP HA H 4.392 . . 724 80 99 ASP HB2 H 2.566 . . 725 80 99 ASP HB3 H 2.665 . . 726 80 99 ASP C C 175.099 . . 727 80 99 ASP CA C 56.096 . . 728 80 99 ASP CB C 42.335 . . 729 80 99 ASP N N 127.093 . . stop_ save_