################################### # 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_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 52178 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'SIRT1 1-54 1H15N13C Assignments' _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 2 '3D HNCACB' . . . 52178 1 3 '3D HNCOCACB' . . . 52178 1 4 '3D HNCO' . . . 52178 1 5 '3D HNCACO' . . . 52178 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . 52178 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 3 3 PHE H H 1 8.322 0.020 . 1 . . . . . 0 PHE H . 52178 1 2 . 1 . 1 3 3 PHE C C 13 175.421 0.3 . 1 . . . . . 0 PHE C . 52178 1 3 . 1 . 1 3 3 PHE CA C 13 57.822 0.3 . 1 . . . . . 0 PHE CA . 52178 1 4 . 1 . 1 3 3 PHE CB C 13 39.535 0.3 . 1 . . . . . 0 PHE CB . 52178 1 5 . 1 . 1 3 3 PHE N N 15 120.862 0.3 . 1 . . . . . 0 PHE N . 52178 1 6 . 1 . 1 4 4 MET H H 1 8.225 0.020 . 1 . . . . . 1 MET H . 52178 1 7 . 1 . 1 4 4 MET C C 13 175.353 0.3 . 1 . . . . . 1 MET C . 52178 1 8 . 1 . 1 4 4 MET CA C 13 55.073 0.3 . 1 . . . . . 1 MET CA . 52178 1 9 . 1 . 1 4 4 MET CB C 13 33.022 0.3 . 1 . . . . . 1 MET CB . 52178 1 10 . 1 . 1 4 4 MET N N 15 122.887 0.3 . 1 . . . . . 1 MET N . 52178 1 11 . 1 . 1 5 5 ALA H H 1 8.283 0.020 . 1 . . . . . 2 ALA H . 52178 1 12 . 1 . 1 5 5 ALA C C 13 177.435 0.3 . 1 . . . . . 2 ALA C . 52178 1 13 . 1 . 1 5 5 ALA CA C 13 52.669 0.3 . 1 . . . . . 2 ALA CA . 52178 1 14 . 1 . 1 5 5 ALA CB C 13 19.181 0.3 . 1 . . . . . 2 ALA CB . 52178 1 15 . 1 . 1 5 5 ALA N N 15 125.671 0.3 . 1 . . . . . 2 ALA N . 52178 1 16 . 1 . 1 6 6 ASP H H 1 8.295 0.020 . 1 . . . . . 3 ASP H . 52178 1 17 . 1 . 1 6 6 ASP C C 13 176.685 0.3 . 1 . . . . . 3 ASP C . 52178 1 18 . 1 . 1 6 6 ASP CA C 13 54.418 0.3 . 1 . . . . . 3 ASP CA . 52178 1 19 . 1 . 1 6 6 ASP CB C 13 41.004 0.3 . 1 . . . . . 3 ASP CB . 52178 1 20 . 1 . 1 6 6 ASP N N 15 119.699 0.3 . 1 . . . . . 3 ASP N . 52178 1 21 . 1 . 1 7 7 GLU H H 1 8.409 0.020 . 1 . . . . . 4 GLU H . 52178 1 22 . 1 . 1 7 7 GLU C C 13 177.171 0.3 . 1 . . . . . 4 GLU C . 52178 1 23 . 1 . 1 7 7 GLU CA C 13 57.689 0.3 . 1 . . . . . 4 GLU CA . 52178 1 24 . 1 . 1 7 7 GLU CB C 13 29.851 0.3 . 1 . . . . . 4 GLU CB . 52178 1 25 . 1 . 1 7 7 GLU N N 15 121.632 0.3 . 1 . . . . . 4 GLU N . 52178 1 26 . 1 . 1 8 8 ALA H H 1 8.217 0.020 . 1 . . . . . 5 ALA H . 52178 1 27 . 1 . 1 8 8 ALA C C 13 178.324 0.3 . 1 . . . . . 5 ALA C . 52178 1 28 . 1 . 1 8 8 ALA CA C 13 53.376 0.3 . 1 . . . . . 5 ALA CA . 52178 1 29 . 1 . 1 8 8 ALA CB C 13 18.784 0.3 . 1 . . . . . 5 ALA CB . 52178 1 30 . 1 . 1 8 8 ALA N N 15 123.807 0.3 . 1 . . . . . 5 ALA N . 52178 1 31 . 1 . 1 9 9 ALA H H 1 7.975 0.020 . 1 . . . . . 6 ALA H . 52178 1 32 . 1 . 1 9 9 ALA C C 13 178.562 0.3 . 1 . . . . . 6 ALA C . 52178 1 33 . 1 . 1 9 9 ALA CA C 13 53.130 0.3 . 1 . . . . . 6 ALA CA . 52178 1 34 . 1 . 1 9 9 ALA CB C 13 18.838 0.3 . 1 . . . . . 6 ALA CB . 52178 1 35 . 1 . 1 9 9 ALA N N 15 121.689 0.3 . 1 . . . . . 6 ALA N . 52178 1 36 . 1 . 1 10 10 LEU H H 1 7.917 0.020 . 1 . . . . . 7 LEU H . 52178 1 37 . 1 . 1 10 10 LEU C C 13 177.526 0.3 . 1 . . . . . 7 LEU C . 52178 1 38 . 1 . 1 10 10 LEU CA C 13 55.680 0.3 . 1 . . . . . 7 LEU CA . 52178 1 39 . 1 . 1 10 10 LEU CB C 13 42.191 0.3 . 1 . . . . . 7 LEU CB . 52178 1 40 . 1 . 1 10 10 LEU N N 15 120.072 0.3 . 1 . . . . . 7 LEU N . 52178 1 41 . 1 . 1 11 11 ALA H H 1 7.952 0.020 . 1 . . . . . 8 ALA H . 52178 1 42 . 1 . 1 11 11 ALA C C 13 177.551 0.3 . 1 . . . . . 8 ALA C . 52178 1 43 . 1 . 1 11 11 ALA CA C 13 52.545 0.3 . 1 . . . . . 8 ALA CA . 52178 1 44 . 1 . 1 11 11 ALA CB C 13 18.952 0.3 . 1 . . . . . 8 ALA CB . 52178 1 45 . 1 . 1 11 11 ALA N N 15 123.089 0.3 . 1 . . . . . 8 ALA N . 52178 1 46 . 1 . 1 12 12 LEU H H 1 7.911 0.020 . 1 . . . . . 9 LEU H . 52178 1 47 . 1 . 1 12 12 LEU C C 13 177.205 0.3 . 1 . . . . . 9 LEU C . 52178 1 48 . 1 . 1 12 12 LEU CA C 13 54.934 0.3 . 1 . . . . . 9 LEU CA . 52178 1 49 . 1 . 1 12 12 LEU CB C 13 42.364 0.3 . 1 . . . . . 9 LEU CB . 52178 1 50 . 1 . 1 12 12 LEU N N 15 120.196 0.3 . 1 . . . . . 9 LEU N . 52178 1 51 . 1 . 1 13 13 GLN H H 1 8.202 0.020 . 1 . . . . . 10 GLN H . 52178 1 52 . 1 . 1 13 13 GLN C C 13 174.064 0.3 . 1 . . . . . 10 GLN C . 52178 1 53 . 1 . 1 13 13 GLN CA C 13 53.494 0.3 . 1 . . . . . 10 GLN CA . 52178 1 54 . 1 . 1 13 13 GLN CB C 13 28.655 0.3 . 1 . . . . . 10 GLN CB . 52178 1 55 . 1 . 1 13 13 GLN N N 15 121.615 0.3 . 1 . . . . . 10 GLN N . 52178 1 56 . 1 . 1 15 15 GLY H H 1 8.569 0.020 . 1 . . . . . 12 GLY H . 52178 1 57 . 1 . 1 15 15 GLY C C 13 174.766 0.3 . 1 . . . . . 12 GLY C . 52178 1 58 . 1 . 1 15 15 GLY CA C 13 45.273 0.3 . 1 . . . . . 12 GLY CA . 52178 1 59 . 1 . 1 15 15 GLY N N 15 109.767 0.3 . 1 . . . . . 12 GLY N . 52178 1 60 . 1 . 1 16 16 GLY H H 1 8.268 0.020 . 1 . . . . . 13 GLY H . 52178 1 61 . 1 . 1 16 16 GLY C C 13 173.827 0.3 . 1 . . . . . 13 GLY C . 52178 1 62 . 1 . 1 16 16 GLY CA C 13 45.051 0.3 . 1 . . . . . 13 GLY CA . 52178 1 63 . 1 . 1 16 16 GLY N N 15 108.569 0.3 . 1 . . . . . 13 GLY N . 52178 1 64 . 1 . 1 17 17 SER H H 1 8.258 0.020 . 1 . . . . . 14 SER H . 52178 1 65 . 1 . 1 17 17 SER C C 13 172.730 0.3 . 1 . . . . . 14 SER C . 52178 1 66 . 1 . 1 17 17 SER CA C 13 56.359 0.3 . 1 . . . . . 14 SER CA . 52178 1 67 . 1 . 1 17 17 SER CB C 13 63.491 0.3 . 1 . . . . . 14 SER CB . 52178 1 68 . 1 . 1 17 17 SER N N 15 116.604 0.3 . 1 . . . . . 14 SER N . 52178 1 69 . 1 . 1 19 19 SER H H 1 8.342 0.020 . 1 . . . . . 16 SER H . 52178 1 70 . 1 . 1 19 19 SER CA C 13 58.358 0.3 . 1 . . . . . 16 SER CA . 52178 1 71 . 1 . 1 19 19 SER CB C 13 63.943 0.3 . 1 . . . . . 16 SER CB . 52178 1 72 . 1 . 1 19 19 SER N N 15 115.711 0.3 . 1 . . . . . 16 SER N . 52178 1 73 . 1 . 1 20 20 ALA H H 1 8.313 0.020 . 1 . . . . . 17 ALA H . 52178 1 74 . 1 . 1 20 20 ALA C C 13 177.439 0.3 . 1 . . . . . 17 ALA C . 52178 1 75 . 1 . 1 20 20 ALA CA C 13 52.426 0.3 . 1 . . . . . 17 ALA CA . 52178 1 76 . 1 . 1 20 20 ALA CB C 13 19.121 0.3 . 1 . . . . . 17 ALA CB . 52178 1 77 . 1 . 1 20 20 ALA N N 15 126.267 0.3 . 1 . . . . . 17 ALA N . 52178 1 78 . 1 . 1 21 21 ALA H H 1 8.246 0.020 . 1 . . . . . 18 ALA H . 52178 1 79 . 1 . 1 21 21 ALA C C 13 178.283 0.3 . 1 . . . . . 18 ALA C . 52178 1 80 . 1 . 1 21 21 ALA CA C 13 52.613 0.3 . 1 . . . . . 18 ALA CA . 52178 1 81 . 1 . 1 21 21 ALA CB C 13 19.111 0.3 . 1 . . . . . 18 ALA CB . 52178 1 82 . 1 . 1 21 21 ALA N N 15 123.132 0.3 . 1 . . . . . 18 ALA N . 52178 1 83 . 1 . 1 22 22 GLY H H 1 8.330 0.020 . 1 . . . . . 19 GLY H . 52178 1 84 . 1 . 1 22 22 GLY C C 13 174.085 0.3 . 1 . . . . . 19 GLY C . 52178 1 85 . 1 . 1 22 22 GLY CA C 13 45.271 0.3 . 1 . . . . . 19 GLY CA . 52178 1 86 . 1 . 1 22 22 GLY N N 15 108.278 0.3 . 1 . . . . . 19 GLY N . 52178 1 87 . 1 . 1 23 23 ALA H H 1 8.136 0.020 . 1 . . . . . 20 ALA H . 52178 1 88 . 1 . 1 23 23 ALA C C 13 177.556 0.3 . 1 . . . . . 20 ALA C . 52178 1 89 . 1 . 1 23 23 ALA CA C 13 52.661 0.3 . 1 . . . . . 20 ALA CA . 52178 1 90 . 1 . 1 23 23 ALA CB C 13 19.246 0.3 . 1 . . . . . 20 ALA CB . 52178 1 91 . 1 . 1 23 23 ALA N N 15 123.578 0.3 . 1 . . . . . 20 ALA N . 52178 1 92 . 1 . 1 24 24 ASP H H 1 8.367 0.020 . 1 . . . . . 21 ASP H . 52178 1 93 . 1 . 1 24 24 ASP C C 13 176.456 0.3 . 1 . . . . . 21 ASP C . 52178 1 94 . 1 . 1 24 24 ASP CA C 13 54.472 0.3 . 1 . . . . . 21 ASP CA . 52178 1 95 . 1 . 1 24 24 ASP CB C 13 40.833 0.3 . 1 . . . . . 21 ASP CB . 52178 1 96 . 1 . 1 24 24 ASP N N 15 119.066 0.3 . 1 . . . . . 21 ASP N . 52178 1 97 . 1 . 1 25 25 ARG H H 1 8.174 0.020 . 1 . . . . . 22 ARG H . 52178 1 98 . 1 . 1 25 25 ARG C C 13 176.550 0.3 . 1 . . . . . 22 ARG C . 52178 1 99 . 1 . 1 25 25 ARG CA C 13 56.424 0.3 . 1 . . . . . 22 ARG CA . 52178 1 100 . 1 . 1 25 25 ARG CB C 13 30.632 0.3 . 1 . . . . . 22 ARG CB . 52178 1 101 . 1 . 1 25 25 ARG N N 15 120.988 0.3 . 1 . . . . . 22 ARG N . 52178 1 102 . 1 . 1 26 26 GLU H H 1 8.378 0.020 . 1 . . . . . 23 GLU H . 52178 1 103 . 1 . 1 26 26 GLU C C 13 176.527 0.3 . 1 . . . . . 23 GLU C . 52178 1 104 . 1 . 1 26 26 GLU CA C 13 56.771 0.3 . 1 . . . . . 23 GLU CA . 52178 1 105 . 1 . 1 26 26 GLU CB C 13 29.932 0.3 . 1 . . . . . 23 GLU CB . 52178 1 106 . 1 . 1 26 26 GLU N N 15 121.211 0.3 . 1 . . . . . 23 GLU N . 52178 1 107 . 1 . 1 27 27 ALA H H 1 8.231 0.020 . 1 . . . . . 24 ALA H . 52178 1 108 . 1 . 1 27 27 ALA C C 13 177.619 0.3 . 1 . . . . . 24 ALA C . 52178 1 109 . 1 . 1 27 27 ALA CA C 13 52.650 0.3 . 1 . . . . . 24 ALA CA . 52178 1 110 . 1 . 1 27 27 ALA CB C 13 19.106 0.3 . 1 . . . . . 24 ALA CB . 52178 1 111 . 1 . 1 27 27 ALA N N 15 124.770 0.3 . 1 . . . . . 24 ALA N . 52178 1 112 . 1 . 1 29 29 SER H H 1 8.176 0.020 . 1 . . . . . 26 SER H . 52178 1 113 . 1 . 1 29 29 SER CA C 13 58.172 0.3 . 1 . . . . . 26 SER CA . 52178 1 114 . 1 . 1 29 29 SER CB C 13 64.043 0.3 . 1 . . . . . 26 SER CB . 52178 1 115 . 1 . 1 29 29 SER N N 15 114.625 0.3 . 1 . . . . . 26 SER N . 52178 1 116 . 1 . 1 30 30 SER H H 1 8.303 0.020 . 1 . . . . . 27 SER H . 52178 1 117 . 1 . 1 30 30 SER C C 13 172.770 0.3 . 1 . . . . . 27 SER C . 52178 1 118 . 1 . 1 30 30 SER CA C 13 56.427 0.3 . 1 . . . . . 27 SER CA . 52178 1 119 . 1 . 1 30 30 SER CB C 13 63.522 0.3 . 1 . . . . . 27 SER CB . 52178 1 120 . 1 . 1 30 30 SER N N 15 118.592 0.3 . 1 . . . . . 27 SER N . 52178 1 121 . 1 . 1 32 32 ALA H H 1 8.340 0.020 . 1 . . . . . 29 ALA H . 52178 1 122 . 1 . 1 32 32 ALA C C 13 178.211 0.3 . 1 . . . . . 29 ALA C . 52178 1 123 . 1 . 1 32 32 ALA CA C 13 52.537 0.3 . 1 . . . . . 29 ALA CA . 52178 1 124 . 1 . 1 32 32 ALA CB C 13 19.116 0.3 . 1 . . . . . 29 ALA CB . 52178 1 125 . 1 . 1 32 32 ALA N N 15 123.725 0.3 . 1 . . . . . 29 ALA N . 52178 1 126 . 1 . 1 33 33 GLY H H 1 8.265 0.020 . 1 . . . . . 30 GLY H . 52178 1 127 . 1 . 1 33 33 GLY C C 13 173.791 0.3 . 1 . . . . . 30 GLY C . 52178 1 128 . 1 . 1 33 33 GLY CA C 13 44.923 0.3 . 1 . . . . . 30 GLY CA . 52178 1 129 . 1 . 1 33 33 GLY N N 15 107.881 0.3 . 1 . . . . . 30 GLY N . 52178 1 130 . 1 . 1 34 34 GLU H H 1 8.113 0.020 . 1 . . . . . 31 GLU H . 52178 1 131 . 1 . 1 34 34 GLU C C 13 174.671 0.3 . 1 . . . . . 31 GLU C . 52178 1 132 . 1 . 1 34 34 GLU CA C 13 54.543 0.3 . 1 . . . . . 31 GLU CA . 52178 1 133 . 1 . 1 34 34 GLU CB C 13 29.744 0.3 . 1 . . . . . 31 GLU CB . 52178 1 134 . 1 . 1 34 34 GLU N N 15 121.651 0.3 . 1 . . . . . 31 GLU N . 52178 1 135 . 1 . 1 36 36 LEU H H 1 8.294 0.020 . 1 . . . . . 33 LEU H . 52178 1 136 . 1 . 1 36 36 LEU C C 13 177.506 0.3 . 1 . . . . . 33 LEU C . 52178 1 137 . 1 . 1 36 36 LEU CA C 13 55.473 0.3 . 1 . . . . . 33 LEU CA . 52178 1 138 . 1 . 1 36 36 LEU CB C 13 42.104 0.3 . 1 . . . . . 33 LEU CB . 52178 1 139 . 1 . 1 36 36 LEU N N 15 121.692 0.3 . 1 . . . . . 33 LEU N . 52178 1 140 . 1 . 1 37 37 ARG H H 1 8.243 0.020 . 1 . . . . . 34 ARG H . 52178 1 141 . 1 . 1 37 37 ARG C C 13 176.054 0.3 . 1 . . . . . 34 ARG C . 52178 1 142 . 1 . 1 37 37 ARG CA C 13 55.830 0.3 . 1 . . . . . 34 ARG CA . 52178 1 143 . 1 . 1 37 37 ARG CB C 13 30.742 0.3 . 1 . . . . . 34 ARG CB . 52178 1 144 . 1 . 1 37 37 ARG N N 15 121.753 0.3 . 1 . . . . . 34 ARG N . 52178 1 145 . 1 . 1 38 38 LYS H H 1 8.285 0.020 . 1 . . . . . 35 LYS H . 52178 1 146 . 1 . 1 38 38 LYS C C 13 176.215 0.3 . 1 . . . . . 35 LYS C . 52178 1 147 . 1 . 1 38 38 LYS CA C 13 56.074 0.3 . 1 . . . . . 35 LYS CA . 52178 1 148 . 1 . 1 38 38 LYS CB C 13 33.036 0.3 . 1 . . . . . 35 LYS CB . 52178 1 149 . 1 . 1 38 38 LYS N N 15 122.689 0.3 . 1 . . . . . 35 LYS N . 52178 1 150 . 1 . 1 39 39 ARG H H 1 8.372 0.020 . 1 . . . . . 36 ARG H . 52178 1 151 . 1 . 1 39 39 ARG C C 13 174.137 0.3 . 1 . . . . . 36 ARG C . 52178 1 152 . 1 . 1 39 39 ARG CA C 13 53.860 0.3 . 1 . . . . . 36 ARG CA . 52178 1 153 . 1 . 1 39 39 ARG CB C 13 30.156 0.3 . 1 . . . . . 36 ARG CB . 52178 1 154 . 1 . 1 39 39 ARG N N 15 123.585 0.3 . 1 . . . . . 36 ARG N . 52178 1 155 . 1 . 1 41 41 ARG H H 1 8.454 0.020 . 1 . . . . . 38 ARG H . 52178 1 156 . 1 . 1 41 41 ARG C C 13 176.333 0.3 . 1 . . . . . 38 ARG C . 52178 1 157 . 1 . 1 41 41 ARG CA C 13 56.197 0.3 . 1 . . . . . 38 ARG CA . 52178 1 158 . 1 . 1 41 41 ARG CB C 13 30.884 0.3 . 1 . . . . . 38 ARG CB . 52178 1 159 . 1 . 1 41 41 ARG N N 15 121.711 0.3 . 1 . . . . . 38 ARG N . 52178 1 160 . 1 . 1 42 42 ARG H H 1 8.508 0.020 . 1 . . . . . 39 ARG H . 52178 1 161 . 1 . 1 42 42 ARG C C 13 175.607 0.3 . 1 . . . . . 39 ARG C . 52178 1 162 . 1 . 1 42 42 ARG CA C 13 56.061 0.3 . 1 . . . . . 39 ARG CA . 52178 1 163 . 1 . 1 42 42 ARG CB C 13 30.848 0.3 . 1 . . . . . 39 ARG CB . 52178 1 164 . 1 . 1 42 42 ARG N N 15 122.817 0.3 . 1 . . . . . 39 ARG N . 52178 1 165 . 1 . 1 43 43 ASP H H 1 8.378 0.020 . 1 . . . . . 40 ASP H . 52178 1 166 . 1 . 1 43 43 ASP C C 13 176.001 0.3 . 1 . . . . . 40 ASP C . 52178 1 167 . 1 . 1 43 43 ASP CA C 13 54.016 0.3 . 1 . . . . . 40 ASP CA . 52178 1 168 . 1 . 1 43 43 ASP CB C 13 41.445 0.3 . 1 . . . . . 40 ASP CB . 52178 1 169 . 1 . 1 43 43 ASP N N 15 121.326 0.3 . 1 . . . . . 40 ASP N . 52178 1 170 . 1 . 1 44 44 GLY H H 1 8.110 0.020 . 1 . . . . . 41 GLY H . 52178 1 171 . 1 . 1 44 44 GLY C C 13 171.766 0.3 . 1 . . . . . 41 GLY C . 52178 1 172 . 1 . 1 44 44 GLY CA C 13 44.693 0.3 . 1 . . . . . 41 GLY CA . 52178 1 173 . 1 . 1 44 44 GLY N N 15 108.842 0.3 . 1 . . . . . 41 GLY N . 52178 1 174 . 1 . 1 46 46 GLY H H 1 8.532 0.020 . 1 . . . . . 43 GLY H . 52178 1 175 . 1 . 1 46 46 GLY C C 13 174.111 0.3 . 1 . . . . . 43 GLY C . 52178 1 176 . 1 . 1 46 46 GLY CA C 13 45.394 0.3 . 1 . . . . . 43 GLY CA . 52178 1 177 . 1 . 1 46 46 GLY N N 15 109.334 0.3 . 1 . . . . . 43 GLY N . 52178 1 178 . 1 . 1 47 47 LEU H H 1 8.075 0.020 . 1 . . . . . 44 LEU H . 52178 1 179 . 1 . 1 47 47 LEU C C 13 177.394 0.3 . 1 . . . . . 44 LEU C . 52178 1 180 . 1 . 1 47 47 LEU CA C 13 55.077 0.3 . 1 . . . . . 44 LEU CA . 52178 1 181 . 1 . 1 47 47 LEU CB C 13 42.414 0.3 . 1 . . . . . 44 LEU CB . 52178 1 182 . 1 . 1 47 47 LEU N N 15 121.481 0.3 . 1 . . . . . 44 LEU N . 52178 1 183 . 1 . 1 48 48 GLU H H 1 8.499 0.020 . 1 . . . . . 45 GLU H . 52178 1 184 . 1 . 1 48 48 GLU C C 13 176.253 0.3 . 1 . . . . . 45 GLU C . 52178 1 185 . 1 . 1 48 48 GLU CA C 13 56.714 0.3 . 1 . . . . . 45 GLU CA . 52178 1 186 . 1 . 1 48 48 GLU CB C 13 30.019 0.3 . 1 . . . . . 45 GLU CB . 52178 1 187 . 1 . 1 48 48 GLU N N 15 121.677 0.3 . 1 . . . . . 45 GLU N . 52178 1 188 . 1 . 1 49 49 ARG H H 1 8.339 0.020 . 1 . . . . . 46 ARG H . 52178 1 189 . 1 . 1 49 49 ARG C C 13 176.077 0.3 . 1 . . . . . 46 ARG C . 52178 1 190 . 1 . 1 49 49 ARG CA C 13 55.718 0.3 . 1 . . . . . 46 ARG CA . 52178 1 191 . 1 . 1 49 49 ARG CB C 13 30.975 0.3 . 1 . . . . . 46 ARG CB . 52178 1 192 . 1 . 1 49 49 ARG N N 15 122.068 0.3 . 1 . . . . . 46 ARG N . 52178 1 193 . 1 . 1 50 50 SER H H 1 8.523 0.020 . 1 . . . . . 47 SER H . 52178 1 194 . 1 . 1 50 50 SER C C 13 172.808 0.3 . 1 . . . . . 47 SER C . 52178 1 195 . 1 . 1 50 50 SER CA C 13 56.641 0.3 . 1 . . . . . 47 SER CA . 52178 1 196 . 1 . 1 50 50 SER CB C 13 63.337 0.3 . 1 . . . . . 47 SER CB . 52178 1 197 . 1 . 1 50 50 SER N N 15 119.190 0.3 . 1 . . . . . 47 SER N . 52178 1 198 . 1 . 1 52 52 GLY H H 1 8.425 0.020 . 1 . . . . . 49 GLY H . 52178 1 199 . 1 . 1 52 52 GLY C C 13 173.876 0.3 . 1 . . . . . 49 GLY C . 52178 1 200 . 1 . 1 52 52 GLY CA C 13 44.932 0.3 . 1 . . . . . 49 GLY CA . 52178 1 201 . 1 . 1 52 52 GLY N N 15 109.216 0.3 . 1 . . . . . 49 GLY N . 52178 1 202 . 1 . 1 53 53 GLU H H 1 8.055 0.020 . 1 . . . . . 50 GLU H . 52178 1 203 . 1 . 1 53 53 GLU C C 13 174.848 0.3 . 1 . . . . . 50 GLU C . 52178 1 204 . 1 . 1 53 53 GLU CA C 13 54.317 0.3 . 1 . . . . . 50 GLU CA . 52178 1 205 . 1 . 1 53 53 GLU CB C 13 29.732 0.3 . 1 . . . . . 50 GLU CB . 52178 1 206 . 1 . 1 53 53 GLU N N 15 121.654 0.3 . 1 . . . . . 50 GLU N . 52178 1 207 . 1 . 1 55 55 GLY H H 1 8.550 0.020 . 1 . . . . . 52 GLY H . 52178 1 208 . 1 . 1 55 55 GLY C C 13 174.624 0.3 . 1 . . . . . 52 GLY C . 52178 1 209 . 1 . 1 55 55 GLY CA C 13 45.291 0.3 . 1 . . . . . 52 GLY CA . 52178 1 210 . 1 . 1 55 55 GLY N N 15 109.429 0.3 . 1 . . . . . 52 GLY N . 52178 1 211 . 1 . 1 56 56 GLY H H 1 8.225 0.020 . 1 . . . . . 53 GLY H . 52178 1 212 . 1 . 1 56 56 GLY C C 13 172.913 0.3 . 1 . . . . . 53 GLY C . 52178 1 213 . 1 . 1 56 56 GLY CA C 13 45.148 0.3 . 1 . . . . . 53 GLY CA . 52178 1 214 . 1 . 1 56 56 GLY N N 15 109.085 0.3 . 1 . . . . . 53 GLY N . 52178 1 215 . 1 . 1 57 57 ALA H H 1 7.898 0.020 . 1 . . . . . 54 ALA H . 52178 1 216 . 1 . 1 57 57 ALA C C 13 170.620 0.3 . 1 . . . . . 54 ALA C . 52178 1 217 . 1 . 1 57 57 ALA CA C 13 53.711 0.3 . 1 . . . . . 54 ALA CA . 52178 1 218 . 1 . 1 57 57 ALA CB C 13 20.094 0.3 . 1 . . . . . 54 ALA CB . 52178 1 219 . 1 . 1 57 57 ALA N N 15 129.240 0.3 . 1 . . . . . 54 ALA N . 52178 1 stop_ save_