data_5351 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone HN, N, Ca, Cb and CO assignments of unfolded ACBP ; loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Poulsen Flemming M. . stop_ _BMRB_accession_number 5351 _BMRB_flat_file_name bmr5351.str _Entry_type new _Submission_date 2002-04-23 _Accession_date 2002-04-23 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count '1H chemical shifts' 80 '15N chemical shifts' 80 '13C chemical shifts' 223 stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_title ; Transient Structure Formation in Unfolded Acyl-coenzyme A-binding Protein Observed by Site-directed Spin Labelling ; _Citation_status published _Citation_type journal _MEDLINE_UI_code . _PubMed_ID 12441112 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Teilum Kaare . . 2 Kragelund Birthe B. . 3 Poulsen Flemming M. . stop_ _Journal_abbreviation "J. Mol. Biol." _Journal_volume 324 _Journal_issue 2 _Page_first 349 _Page_last 357 _Year 2002 save_ ################################## # Molecular system description # ################################## save_system_ACBP _Saveframe_category molecular_system _Mol_system_name "acyl-coenzyme A binding protein" _Abbreviation_common ACBP _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label ACBP $ACBP stop_ _System_physical_state denatured _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state "all other bound" save_ ######################## # Monomeric polymers # ######################## save_ACBP _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common "acyl-coenzyme A binding protein" _Name_variant I86C _Abbreviation_common ACBP _Mol_thiol_state "all other bound" ############################## # Polymer residue sequence # ############################## _Residue_count 86 _Mol_residue_sequence ; SQAEFDKAAEEVKHLKTKPA DEEMLFIYSHYKQATVGDIN TERPGMLDFKGKAKWDAWNE LKGTSKEDAMKAYIDKVEEL KKKYGX ; loop_ _Residue_seq_code _Residue_label 1 SER 2 GLN 3 ALA 4 GLU 5 PHE 6 ASP 7 LYS 8 ALA 9 ALA 10 GLU 11 GLU 12 VAL 13 LYS 14 HIS 15 LEU 16 LYS 17 THR 18 LYS 19 PRO 20 ALA 21 ASP 22 GLU 23 GLU 24 MET 25 LEU 26 PHE 27 ILE 28 TYR 29 SER 30 HIS 31 TYR 32 LYS 33 GLN 34 ALA 35 THR 36 VAL 37 GLY 38 ASP 39 ILE 40 ASN 41 THR 42 GLU 43 ARG 44 PRO 45 GLY 46 MET 47 LEU 48 ASP 49 PHE 50 LYS 51 GLY 52 LYS 53 ALA 54 LYS 55 TRP 56 ASP 57 ALA 58 TRP 59 ASN 60 GLU 61 LEU 62 LYS 63 GLY 64 THR 65 SER 66 LYS 67 GLU 68 ASP 69 ALA 70 MET 71 LYS 72 ALA 73 TYR 74 ILE 75 ASP 76 LYS 77 VAL 78 GLU 79 GLU 80 LEU 81 LYS 82 LYS 83 LYS 84 TYR 85 GLY 86 CYS_MTSL stop_ _Sequence_homology_query_date 2008-06-26 _Sequence_homology_query_revised_last_date 2008-06-26 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value BMRB 2049 "acyl-coenzyme A binding protein" 98.84 86 100.00 100.00 7.09e-42 BMRB 2050 "acyl-coenzyme A binding protein" 98.84 86 100.00 100.00 7.09e-42 PDB 1ACA "Three-Dimensional Structure Of The Complex Between Acyl- Coenzyme A Binding Protein And Palmitoyl-Coenzyme A" 98.84 86 100.00 100.00 7.09e-42 PDB 1HB6 "Structure Of Bovine Acyl-Coa Binding Protein In Orthorhombic Crystal Form" 98.84 86 100.00 100.00 7.09e-42 PDB 1HB8 "Structure Of Bovine Acyl-Coa Binding Protein In Tetragonal Crystal Form" 98.84 86 100.00 100.00 7.09e-42 PDB 1NTI "Rdc-Refined Nmr Structure Of Bovine Acyl-Coenzyme A Binding Protein, Acbp" 98.84 86 100.00 100.00 7.09e-42 PDB 1NVL "Rdc-Refined Nmr Structure Of Bovine Acyl-Coenzyme A Binding Protein, Acbp, In Complex With Palmitoyl-Coenzyme A" 98.84 86 100.00 100.00 7.09e-42 PDB 2ABD "The Three-Dimensional Structure Of Acyl-Coenzyme A Binding Protein From Bovine Liver. Structural Refinement Using Heteronuclear Multidimensional Nmr Spectroscopy" 98.84 86 100.00 100.00 7.09e-42 EMBL CAA44618 "acyl-CoA-binding protein /diazepam-binding inhibitor [synthetic construct]" 98.84 87 100.00 100.00 6.05e-42 GenBank AAA30495 "endozepine precursor" 98.84 87 100.00 100.00 6.05e-42 GenBank AAI14182 "Diazepam binding inhibitor (GABA receptor modulator, acyl-Coenzyme A binding protein) [Bos taurus]" 98.84 87 100.00 100.00 6.05e-42 REF NP_001106792 "diazepam binding inhibitor [Bos taurus]" 98.84 87 100.00 100.00 6.05e-42 SWISS-PROT P07107 "Acyl-CoA-binding protein (ACBP) (Diazepam-binding inhibitor) (DBI) (Endozepine) (EP)" 98.84 87 100.00 100.00 6.05e-42 stop_ save_ ###################### # Polymer residues # ###################### save_CYS_MTSL _Saveframe_category polymer_residue _Mol_type non-polymer _Name_common ; S-[(1-oxyl-2,2,5,5-tetremethyl-3-pyrroline-3-methyl) methanethiosulfonate (MTSL)] L-CYSTEINE ; _Abbreviation_common CYS-MTSL _Name_IUPAC . _BMRB_code CYS_MTSL _PDB_code ? _Standard_residue_derivative CYS _Mol_empirical_formula 'C12 H19 N2 O4 S2' _Mol_paramagnetic no _Details . loop_ _Atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons N N ? 0 ? ? "N1'" N ? 0 ? ? SG S ? 0 ? ? SD S ? 0 ? ? O O ? 0 ? ? OD1 O ? 0 ? ? OD2 O ? 0 ? ? "O1'" O ? 0 ? ? C C ? 0 ? ? CA C ? 0 ? ? CB C ? 0 ? ? "C2'" C ? 0 ? ? "C3'" C ? 0 ? ? "C4'" C ? 0 ? ? "C5'" C ? 0 ? ? "C6'" C ? 0 ? ? "C7'" C ? 0 ? ? "C8'" C ? 0 ? ? "C9'" C ? 0 ? ? "C10'" C ? 0 ? ? H H ? 0 ? ? HA H ? 0 ? ? HB2 H ? 0 ? ? HB3 H ? 0 ? ? "H4'" H ? 0 ? ? "H61'" H ? 0 ? ? "H62'" H ? 0 ? ? "H63'" H ? 0 ? ? "H71'" H ? 0 ? ? "H72'" H ? 0 ? ? "H73'" H ? 0 ? ? "H81'" H ? 0 ? ? "H82'" H ? 0 ? ? "H83'" H ? 0 ? ? "H91'" H ? 0 ? ? "H92'" H ? 0 ? ? "H93'" H ? 0 ? ? "H101'" H ? 0 ? ? "H102'" H ? 0 ? ? stop_ loop_ _Bond_order _Bond_atom_one_atom_name _Bond_atom_two_atom_name SING N CA SING N H DOUB C O SING CA CB SING CA C SING CA HA SING CB SG SING CB HB2 SING CB HB3 SING SG SD DOUB SD OD1 DOUB SD OD2 SING SD "C10'" SING "C10'" "H101'" SING "C10'" "H102'" SING "C10'" "C3'" SING "C3'" "C2'" SING "C2'" "C6'" SING "C2'" "C7'" SING "C2'" "N1'" SING "N1'" "O1'" DOUB "C3'" "C4'" SING "C4'" "C5'" SING "C4'" "H4'" SING "C5'" "C8'" SING "C5'" "C9'" SING "C5'" "N1'" SING "C6'" "H61'" SING "C6'" "H62'" SING "C6'" "H63'" SING "C7'" "H71'" SING "C7'" "H72'" SING "C7'" "H73'" SING "C8'" "H81'" SING "C8'" "H82'" SING "C8'" "H83'" SING "C9'" "H91'" SING "C9'" "H92'" SING "C9'" "H93'" stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $ACBP cow 9913 Eukaryota . Bos taurus 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 $ACBP 'recombinant technology' E.coli . . . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_Sample_1 _Saveframe_category sample _Sample_type solution` _Details ; The sample contained 1.9 M guanidinium chloride to unfold the protein ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $ACBP 1.5 mM "[U-13C; U-15N]" stop_ save_ ############################# # NMR applied experiments # ############################# save_NMR_applied_experiment _Saveframe_category NMR_applied_experiment _Experiment_name ; 1H-15N HSQC HNCO HN(CA)CO HN(CO)CA HNCA HNCACB CBCA(CO)NH ; save_ ####################### # Sample conditions # ####################### save_Experimental_Conditions _Saveframe_category sample_conditions loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 5.3 0.1 n/a temperature 298 1 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Saveframe_category chemical_shift_reference 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 H 1 "methyl protons" ppm 0.00 external_to_the_sample direct cylindrical external_to_the_sample parallel_to_Bo . stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # Index Value Definition # # # # 1 Unique (geminal atoms and geminal methyl # # groups with identical chemical shifts # # are assumed to be assigned to # # stereospecific atoms) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups # # 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) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_set_1 _Saveframe_category assigned_chemical_shifts loop_ _Sample_label $Sample_1 stop_ _Sample_conditions_label $Experimental_Conditions _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name ACBP loop_ _Atom_shift_assign_ID _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 3 ALA H H 8.50 . 1 2 3 ALA N N 125.35 . 1 3 3 ALA CA C 53.02 . 1 4 3 ALA C C 177.87 . 1 5 3 ALA CB C 19.42 . 1 6 4 GLU H H 8.33 . 1 7 4 GLU N N 119.80 . 1 8 4 GLU CA C 56.97 . 1 9 4 GLU C C 176.43 . 1 10 4 GLU CB C 30.28 . 1 11 5 PHE H H 8.15 . 1 12 5 PHE N N 120.24 . 1 13 5 PHE CA C 57.88 . 1 14 5 PHE C C 175.62 . 1 15 5 PHE CB C 39.79 . 1 16 6 ASP H H 8.36 . 1 17 6 ASP N N 122.04 . 1 18 6 ASP CA C 54.43 . 1 19 6 ASP C C 176.25 . 1 20 6 ASP CB C 41.29 . 1 21 7 LYS H H 8.21 . 1 22 7 LYS N N 122.13 . 1 23 7 LYS CA C 56.99 . 1 24 7 LYS C C 176.76 . 1 25 7 LYS CB C 33.10 . 1 26 8 ALA H H 8.33 . 1 27 8 ALA N N 124.45 . 1 28 8 ALA CA C 53.00 . 1 29 8 ALA C C 177.97 . 1 30 8 ALA CB C 19.21 . 1 31 9 ALA H H 8.17 . 1 32 9 ALA N N 122.76 . 1 33 9 ALA C C 178.17 . 1 34 9 ALA CA C 53.00 . 1 35 9 ALA CB C 19.30 . 1 36 10 GLU H H 8.30 . 1 37 10 GLU N N 119.43 . 1 38 10 GLU CA C 56.87 . 1 39 10 GLU C C 176.73 . 1 40 10 GLU CB C 30.33 . 1 41 11 GLU H H 8.38 . 1 42 11 GLU N N 121.72 . 1 43 11 GLU CA C 56.84 . 1 44 11 GLU C C 176.64 . 1 45 11 GLU CB C 30.33 . 1 46 12 VAL H H 8.12 . 1 47 12 VAL N N 121.12 . 1 48 12 VAL CA C 62.68 . 1 49 12 VAL C C 176.19 . 1 50 12 VAL CB C 32.74 . 1 51 13 LYS H H 8.31 . 1 52 13 LYS N N 124.40 . 1 53 13 LYS CA C 56.61 . 1 54 13 LYS C C 176.44 . 1 55 13 LYS CB C 33.19 . 1 56 14 HIS H H 8.53 . 1 57 14 HIS N N 119.77 . 1 58 14 HIS CA C 55.27 . 1 59 14 HIS C C 174.38 . 1 60 14 HIS CB C 29.18 . 1 61 15 LEU H H 8.35 . 1 62 15 LEU N N 123.90 . 1 63 15 LEU C C 177.38 . 1 64 15 LEU CA C 55.42 . 1 65 15 LEU CB C 42.69 . 1 66 16 LYS H H 8.52 . 1 67 16 LYS N N 122.79 . 1 68 16 LYS CA C 56.62 . 1 69 16 LYS C C 176.77 . 1 70 16 LYS CB C 33.15 . 1 71 17 THR H H 8.16 . 1 72 17 THR N N 115.74 . 1 73 17 THR CA C 61.79 . 1 74 17 THR C C 174.23 . 1 75 17 THR CB C 70.23 . 1 76 18 LYS H H 8.47 . 1 77 18 LYS N N 125.19 . 1 78 18 LYS CA C 54.52 . 1 79 18 LYS C C 174.56 . 1 80 18 LYS CB C 32.74 . 1 81 20 ALA H H 8.52 . 1 82 20 ALA N N 124.19 . 1 83 20 ALA CA C 52.96 . 1 84 20 ALA C C 177.87 . 1 85 20 ALA CB C 19.43 . 1 86 21 ASP H H 8.35 . 1 87 21 ASP N N 119.28 . 1 88 21 ASP CA C 54.78 . 1 89 21 ASP C C 176.68 . 1 90 21 ASP CB C 41.19 . 1 91 22 GLU H H 8.40 . 1 92 22 GLU CA C 57.39 . 1 93 22 GLU C C 176.94 . 1 94 22 GLU N N 120.72 . 1 95 23 GLU H H 8.39 . 1 96 23 GLU N N 120.81 . 1 97 23 GLU CA C 57.33 . 1 98 23 GLU C C 176.94 . 1 99 24 MET H H 8.27 . 1 100 24 MET N N 120.30 . 1 101 24 MET CA C 56.01 . 1 102 24 MET C C 176.30 . 1 103 24 MET CB C 32.75 . 1 104 25 LEU H H 8.10 . 1 105 25 LEU N N 122.02 . 1 106 25 LEU C C 177.45 . 1 107 25 LEU CA C 55.87 . 1 108 25 LEU CB C 42.43 . 1 109 26 PHE H H 8.18 . 1 110 26 PHE N N 120.68 . 1 111 26 PHE CA C 58.38 . 1 112 26 PHE C C 176.07 . 1 113 26 PHE CB C 39.55 . 1 114 27 ILE H H 7.94 . 1 115 27 ILE N N 121.28 . 1 116 27 ILE CA C 61.96 . 1 117 27 ILE C C 176.25 . 1 118 27 ILE CB C 38.68 . 1 119 28 TYR H H 8.15 . 1 120 28 TYR N N 122.57 . 1 121 28 TYR CA C 58.30 . 1 122 28 TYR C C 178.67 . 1 123 28 TYR CB C 38.77 . 1 124 29 SER H H 8.17 . 1 125 29 SER N N 116.09 . 1 126 29 SER CA C 58.79 . 1 127 29 SER C C 174.50 . 1 128 29 SER CB C 64.01 . 1 129 30 HIS H H 8.38 . 1 130 30 HIS N N 120.08 . 1 131 30 HIS CA C 55.86 . 1 132 30 HIS C C 174.29 . 1 133 30 HIS CB C 28.98 . 1 134 31 TYR H H 8.16 . 1 135 31 TYR N N 121.04 . 1 136 31 TYR CA C 58.34 . 1 137 31 TYR C C 175.75 . 1 138 31 TYR CB C 38.97 . 1 139 32 LYS H H 8.27 . 1 140 32 LYS N N 123.39 . 1 141 32 LYS CA C 56.58 . 1 142 32 LYS C C 176.25 . 1 143 32 LYS CB C 33.20 . 1 144 33 GLN H H 8.34 . 1 145 33 GLN N N 121.79 . 1 146 33 GLN CA C 56.13 . 1 147 33 GLN C C 175.78 . 1 148 33 GLN CB C 29.70 . 1 149 34 ALA H H 8.43 . 1 150 34 ALA N N 125.54 . 1 151 34 ALA CA C 52.84 . 1 152 34 ALA C C 177.88 . 1 153 34 ALA CB C 19.61 . 1 154 35 THR H H 8.24 . 1 155 35 THR N N 113.74 . 1 156 35 THR CA C 61.80 . 1 157 35 THR C C 174.74 . 1 158 35 THR CB C 70.20 . 1 159 36 VAL H H 8.20 . 1 160 36 VAL N N 121.99 . 1 161 36 VAL CA C 62.73 . 1 162 36 VAL C C 176.54 . 1 163 36 VAL CB C 33.10 . 1 164 37 GLY H H 8.46 . 1 165 37 GLY N N 112.19 . 1 166 37 GLY CA C 45.33 . 1 167 37 GLY C C 173.76 . 1 168 38 ASP H H 8.30 . 1 169 38 ASP N N 120.89 . 1 170 38 ASP CA C 54.34 . 1 171 38 ASP C C 176.48 . 1 172 38 ASP CB C 41.47 . 1 173 39 ILE H H 8.17 . 1 174 39 ILE N N 120.39 . 1 175 39 ILE CA C 61.68 . 1 176 39 ILE C C 176.10 . 1 177 39 ILE CB C 39.06 . 1 178 40 ASN H H 8.59 . 1 179 40 ASN N N 122.06 . 1 180 40 ASN CA C 53.62 . 1 181 40 ASN C C 175.55 . 1 182 40 ASN CB C 39.12 . 1 183 41 THR H H 8.11 . 1 184 41 THR N N 114.26 . 1 185 41 THR CA C 62.18 . 1 186 41 THR C C 174.58 . 1 187 41 THR CB C 69.79 . 1 188 42 GLU H H 8.41 . 1 189 42 GLU N N 123.05 . 1 190 42 GLU CA C 56.63 . 1 191 42 GLU C C 176.14 . 1 192 42 GLU CB C 30.32 . 1 193 43 ARG H H 8.33 . 1 194 43 ARG N N 122.82 . 1 195 43 ARG CA C 54.16 . 1 196 43 ARG C C 174.19 . 1 197 43 ARG CB C 30.36 . 1 198 45 GLY H H 8.59 . 1 199 45 GLY N N 109.47 . 1 200 45 GLY CA C 45.58 . 1 201 45 GLY C C 174.45 . 1 202 46 MET H H 8.19 . 1 203 46 MET N N 119.75 . 1 204 46 MET CA C 55.99 . 1 205 46 MET C C 176.45 . 1 206 46 MET CB C 33.08 . 1 207 47 LEU H H 8.28 . 1 208 47 LEU N N 122.44 . 1 209 47 LEU CA C 55.45 . 1 210 47 LEU C C 176.95 . 1 211 47 LEU CB C 42.38 . 1 212 48 ASP H H 8.25 . 1 213 48 ASP N N 120.57 . 1 214 48 ASP CA C 54.18 . 1 215 48 ASP C C 175.89 . 1 216 48 ASP CB C 41.33 . 1 217 49 PHE H H 8.15 . 1 218 49 PHE N N 120.64 . 1 219 49 PHE CA C 58.14 . 1 220 49 PHE C C 175.95 . 1 221 49 PHE CB C 39.62 . 1 222 50 LYS H H 8.33 . 1 223 50 LYS N N 122.92 . 1 224 50 LYS CA C 56.73 . 1 225 50 LYS C C 176.98 . 1 226 50 LYS CB C 33.02 . 1 227 51 GLY H H 8.04 . 1 228 51 GLY N N 109.56 . 1 229 51 GLY CA C 45.59 . 1 230 51 GLY C C 174.09 . 1 231 52 LYS H H 8.20 . 1 232 52 LYS N N 121.27 . 1 233 52 LYS CA C 56.62 . 1 234 52 LYS C C 176.57 . 1 235 52 LYS CB C 33.33 . 1 236 53 ALA H H 8.38 . 1 237 53 ALA N N 124.95 . 1 238 53 ALA CA C 52.87 . 1 239 53 ALA C C 178.04 . 1 240 53 ALA CB C 19.35 . 1 241 54 LYS H H 8.19 . 1 242 54 LYS N N 120.44 . 1 243 54 LYS CA C 56.94 . 1 244 54 LYS C C 176.65 . 1 245 54 LYS CB C 33.05 . 1 246 55 TRP H H 8.04 . 1 247 55 TRP N N 121.22 . 1 248 55 TRP CA C 57.60 . 1 249 55 TRP C C 176.17 . 1 250 55 TRP CB C 29.75 . 1 251 57 ALA H H 7.97 . 1 252 57 ALA N N 123.51 . 1 253 57 ALA CA C 53.21 . 1 254 57 ALA C C 177.96 . 1 255 57 ALA CB C 19.13 . 1 256 58 TRP H H 8.08 . 1 257 58 TRP N N 119.41 . 1 258 58 TRP CA C 58.17 . 1 259 58 TRP C C 176.48 . 1 260 58 TRP CB C 29.50 . 1 261 59 ASN H H 8.08 . 1 262 59 ASN CA C 53.79 . 1 263 59 ASN C C 175.32 . 1 264 59 ASN CB C 38.97 . 1 265 59 ASN N N 119.33 . 1 266 60 GLU H H 8.17 . 1 267 60 GLU N N 120.47 . 1 268 60 GLU C C 176.58 . 1 269 60 GLU CA C 57.02 . 1 270 61 LEU H H 8.13 . 1 271 61 LEU N N 122.01 . 1 272 61 LEU CA C 55.50 . 1 273 61 LEU C C 177.57 . 1 274 61 LEU CB C 42.26 . 1 275 62 LYS H H 8.21 . 1 276 62 LYS N N 121.60 . 1 277 62 LYS CA C 56.72 . 1 278 62 LYS CB C 33.21 . 1 279 62 LYS C C 177.26 . 1 280 63 GLY H H 8.45 . 1 281 63 GLY N N 110.07 . 1 282 63 GLY CA C 45.65 . 1 283 63 GLY C C 174.49 . 1 284 64 THR H H 8.13 . 1 285 64 THR N N 113.35 . 1 286 64 THR CA C 61.87 . 1 287 64 THR C C 174.91 . 1 288 64 THR CB C 70.24 . 1 289 65 SER H H 8.56 . 1 290 65 SER N N 118.64 . 1 291 65 SER CA C 58.67 . 1 292 65 SER C C 175.09 . 1 293 65 SER CB C 64.16 . 1 294 66 LYS H H 8.52 . 1 295 66 LYS N N 123.69 . 1 296 66 LYS CA C 57.48 . 1 297 66 LYS C C 177.28 . 1 298 66 LYS CB C 32.90 . 1 299 67 GLU H H 8.45 . 1 300 67 GLU N N 120.80 . 1 301 67 GLU C C 177.03 . 1 302 67 GLU CA C 57.58 . 1 303 67 GLU CB C 30.02 . 1 304 68 ASP H H 8.30 . 1 305 68 ASP N N 120.90 . 1 306 68 ASP CA C 55.20 . 1 307 68 ASP C C 176.87 . 1 308 68 ASP CB C 41.31 . 1 309 69 ALA H H 8.21 . 1 310 69 ALA N N 124.03 . 1 311 69 ALA CA C 53.53 . 1 312 69 ALA C C 178.59 . 1 313 69 ALA CB C 19.31 . 1 314 70 MET H H 8.28 . 1 315 70 MET N N 118.37 . 1 316 70 MET CA C 56.37 . 1 317 70 MET C C 176.94 . 1 318 70 MET CB C 32.78 . 1 319 71 LYS H H 8.12 . 1 320 71 LYS N N 121.49 . 1 321 71 LYS CA C 57.41 . 1 322 71 LYS CB C 33.03 . 1 323 71 LYS C C 176.65 . 1 324 73 TYR H H 8.08 . 1 325 73 TYR N N 119.46 . 1 326 73 TYR CA C 58.93 . 1 327 74 ILE H H 8.06 . 1 328 74 ILE N N 121.84 . 1 329 74 ILE CA C 61.99 . 1 330 75 ASP H H 8.34 . 1 331 75 ASP N N 122.99 . 1 332 75 ASP CA C 55.15 . 1 333 75 ASP CB C 41.24 . 1 334 75 ASP C C 176.74 . 1 335 76 LYS H H 8.16 . 1 336 76 LYS N N 121.64 . 1 337 76 LYS CA C 57.37 . 1 338 76 LYS C C 177.38 . 1 339 77 VAL H H 8.17 . 1 340 77 VAL N N 120.91 . 1 341 77 VAL CA C 64.26 . 1 342 77 VAL C C 177.12 . 1 343 77 VAL CB C 32.45 . 1 344 78 GLU H H 8.43 . 1 345 78 GLU N N 122.47 . 1 346 78 GLU C C 177.53 . 1 347 79 GLU H H 8.28 . 1 348 79 GLU N N 121.04 . 1 349 79 GLU C C 177.48 . 1 350 79 GLU CA C 57.66 . 1 351 79 GLU CB C 29.99 . 1 352 80 LEU H H 8.20 . 1 353 80 LEU N N 122.06 . 1 354 80 LEU C C 178.04 . 1 355 80 LEU CB C 42.34 . 1 356 80 LEU CA C 56.37 . 1 357 81 LYS H H 8.26 . 1 358 81 LYS N N 120.85 . 1 359 81 LYS CA C 57.74 . 1 360 81 LYS C C 177.59 . 1 361 81 LYS CB C 32.91 . 1 362 82 LYS H H 8.09 . 1 363 82 LYS N N 121.04 . 1 364 82 LYS C C 177.23 . 1 365 82 LYS CA C 57.35 . 1 366 82 LYS CB C 32.95 . 1 367 83 LYS H H 8.20 . 1 368 83 LYS N N 121.58 . 1 369 83 LYS C C 176.80 . 1 370 84 TYR H H 8.21 . 1 371 84 TYR N N 119.12 . 1 372 84 TYR CA C 58.21 . 1 373 84 TYR C C 176.33 . 1 374 84 TYR CB C 39.24 . 1 375 85 GLY H H 8.28 . 1 376 85 GLY N N 110.30 . 1 377 85 GLY CA C 45.85 . 1 378 85 GLY C C 173.64 . 1 379 86 CYS_MTSL H H 8.06 . 1 380 86 CYS_MTSL N N 123.21 . 1 381 86 CYS_MTSL CA C 57.10 . 1 382 86 CYS_MTSL C C 179.10 . 1 383 86 CYS_MTSL CB C 42.85 . 1 stop_ save_