################################### # 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 50265 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'TREM2-TMH K186A' _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 1 '2D 1H-15N HSQC' . . . 50265 1 2 '3D HNCO' . . . 50265 1 3 '3D HNCA' . . . 50265 1 4 '3D HNCACB' . . . 50265 1 5 '3D HN(CO)CA' . . . 50265 1 6 '3D 1H-15N NOESY' . . . 50265 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 . . 50265 1 2 $software_2 . . 50265 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 4 4 ARG C C 13 175.3 0.05 . 1 . . . . . 1 ARG C . 50265 1 2 . 1 . 1 5 5 SER H H 1 8.32 0.02 . 1 . . . . . 2 SER H . 50265 1 3 . 1 . 1 5 5 SER C C 13 174.3 0.05 . 1 . . . . . 2 SER C . 50265 1 4 . 1 . 1 5 5 SER CA C 13 56.39 0.05 . 1 . . . . . 2 SER CA . 50265 1 5 . 1 . 1 5 5 SER CB C 13 65.4 0.05 . 1 . . . . . 2 SER CB . 50265 1 6 . 1 . 1 5 5 SER N N 15 118.46 0.05 . 1 . . . . . 2 SER N . 50265 1 7 . 1 . 1 6 6 LEU H H 1 8.7 0.02 . 1 . . . . . 3 LEU H . 50265 1 8 . 1 . 1 6 6 LEU C C 13 176.3 0.05 . 1 . . . . . 3 LEU C . 50265 1 9 . 1 . 1 6 6 LEU CA C 13 55.08 0.05 . 1 . . . . . 3 LEU CA . 50265 1 10 . 1 . 1 6 6 LEU CB C 13 43.68 0.05 . 1 . . . . . 3 LEU CB . 50265 1 11 . 1 . 1 6 6 LEU N N 15 126.88 0.05 . 1 . . . . . 3 LEU N . 50265 1 12 . 1 . 1 7 7 LEU H H 1 7.98 0.02 . 1 . . . . . 4 LEU H . 50265 1 13 . 1 . 1 7 7 LEU C C 13 175.6 0.05 . 1 . . . . . 4 LEU C . 50265 1 14 . 1 . 1 7 7 LEU CA C 13 52.92 0.05 . 1 . . . . . 4 LEU CA . 50265 1 15 . 1 . 1 7 7 LEU CB C 13 43.03 0.05 . 1 . . . . . 4 LEU CB . 50265 1 16 . 1 . 1 7 7 LEU N N 15 118.19 0.05 . 1 . . . . . 4 LEU N . 50265 1 17 . 1 . 1 8 8 GLU H H 1 7.72 0.02 . 1 . . . . . 5 GLU H . 50265 1 18 . 1 . 1 8 8 GLU C C 13 175.5 0.05 . 1 . . . . . 5 GLU C . 50265 1 19 . 1 . 1 8 8 GLU CA C 13 54.33 0.05 . 1 . . . . . 5 GLU CA . 50265 1 20 . 1 . 1 8 8 GLU CB C 13 31.8 0.05 . 1 . . . . . 5 GLU CB . 50265 1 21 . 1 . 1 8 8 GLU N N 15 119.87 0.05 . 1 . . . . . 5 GLU N . 50265 1 22 . 1 . 1 9 9 GLY H H 1 7.96 0.02 . 1 . . . . . 6 GLY H . 50265 1 23 . 1 . 1 9 9 GLY C C 13 172.0 0.05 . 1 . . . . . 6 GLY C . 50265 1 24 . 1 . 1 9 9 GLY CA C 13 42.89 0.05 . 1 . . . . . 6 GLY CA . 50265 1 25 . 1 . 1 9 9 GLY N N 15 110.34 0.05 . 1 . . . . . 6 GLY N . 50265 1 26 . 1 . 1 10 10 GLU H H 1 8.03 0.02 . 1 . . . . . 7 GLU H . 50265 1 27 . 1 . 1 10 10 GLU C C 13 174.7 0.05 . 1 . . . . . 7 GLU C . 50265 1 28 . 1 . 1 10 10 GLU CA C 13 53.77 0.05 . 1 . . . . . 7 GLU CA . 50265 1 29 . 1 . 1 10 10 GLU CB C 13 31.56 0.05 . 1 . . . . . 7 GLU CB . 50265 1 30 . 1 . 1 10 10 GLU N N 15 121.8 0.05 . 1 . . . . . 7 GLU N . 50265 1 31 . 1 . 1 11 11 ILE H H 1 8.17 0.02 . 1 . . . . . 8 ILE H . 50265 1 32 . 1 . 1 11 11 ILE CA C 13 55.96 0.05 . 1 . . . . . 8 ILE CA . 50265 1 33 . 1 . 1 11 11 ILE CB C 13 40.09 0.05 . 1 . . . . . 8 ILE CB . 50265 1 34 . 1 . 1 11 11 ILE N N 15 124.97 0.05 . 1 . . . . . 8 ILE N . 50265 1 35 . 1 . 1 12 12 PRO CA C 13 61.88 0.05 . 1 . . . . . 9 PRO CA . 50265 1 36 . 1 . 1 12 12 PRO CB C 13 33.77 0.05 . 1 . . . . . 9 PRO CB . 50265 1 37 . 1 . 1 13 13 PHE H H 1 7.68 0.02 . 1 . . . . . 10 PHE H . 50265 1 38 . 1 . 1 13 13 PHE C C 13 178.2 0.05 . 1 . . . . . 10 PHE C . 50265 1 39 . 1 . 1 13 13 PHE CA C 13 61.84 0.05 . 1 . . . . . 10 PHE CA . 50265 1 40 . 1 . 1 13 13 PHE N N 15 120.42 0.05 . 1 . . . . . 10 PHE N . 50265 1 41 . 1 . 1 17 17 SER C C 13 174.4 0.05 . 1 . . . . . 14 SER C . 50265 1 42 . 1 . 1 18 18 ILE H H 1 7.24 0.02 . 1 . . . . . 15 ILE H . 50265 1 43 . 1 . 1 18 18 ILE C C 13 175.9 0.05 . 1 . . . . . 15 ILE C . 50265 1 44 . 1 . 1 18 18 ILE CA C 13 61.23 0.05 . 1 . . . . . 15 ILE CA . 50265 1 45 . 1 . 1 18 18 ILE CB C 13 38.15 0.05 . 1 . . . . . 15 ILE CB . 50265 1 46 . 1 . 1 18 18 ILE N N 15 122.12 0.05 . 1 . . . . . 15 ILE N . 50265 1 47 . 1 . 1 19 19 LEU H H 1 7.69 0.02 . 1 . . . . . 16 LEU H . 50265 1 48 . 1 . 1 19 19 LEU C C 13 177.0 0.05 . 1 . . . . . 16 LEU C . 50265 1 49 . 1 . 1 19 19 LEU CA C 13 56.02 0.05 . 1 . . . . . 16 LEU CA . 50265 1 50 . 1 . 1 19 19 LEU CB C 13 42.62 0.05 . 1 . . . . . 16 LEU CB . 50265 1 51 . 1 . 1 19 19 LEU N N 15 121.22 0.05 . 1 . . . . . 16 LEU N . 50265 1 52 . 1 . 1 20 20 LEU H H 1 8.13 0.02 . 1 . . . . . 17 LEU H . 50265 1 53 . 1 . 1 20 20 LEU C C 13 177.4 0.05 . 1 . . . . . 17 LEU C . 50265 1 54 . 1 . 1 20 20 LEU CA C 13 55.87 0.05 . 1 . . . . . 17 LEU CA . 50265 1 55 . 1 . 1 20 20 LEU CB C 13 42.68 0.05 . 1 . . . . . 17 LEU CB . 50265 1 56 . 1 . 1 20 20 LEU N N 15 119.32 0.05 . 1 . . . . . 17 LEU N . 50265 1 57 . 1 . 1 21 21 LEU H H 1 7.71 0.02 . 1 . . . . . 18 LEU H . 50265 1 58 . 1 . 1 21 21 LEU C C 13 177.2 0.05 . 1 . . . . . 18 LEU C . 50265 1 59 . 1 . 1 21 21 LEU CA C 13 56.5 0.05 . 1 . . . . . 18 LEU CA . 50265 1 60 . 1 . 1 21 21 LEU CB C 13 42.79 0.05 . 1 . . . . . 18 LEU CB . 50265 1 61 . 1 . 1 21 21 LEU N N 15 121.74 0.05 . 1 . . . . . 18 LEU N . 50265 1 62 . 1 . 1 22 22 LEU H H 1 8.22 0.02 . 1 . . . . . 19 LEU H . 50265 1 63 . 1 . 1 22 22 LEU C C 13 177.7 0.05 . 1 . . . . . 19 LEU C . 50265 1 64 . 1 . 1 22 22 LEU CA C 13 55.91 0.05 . 1 . . . . . 19 LEU CA . 50265 1 65 . 1 . 1 22 22 LEU CB C 13 42.62 0.05 . 1 . . . . . 19 LEU CB . 50265 1 66 . 1 . 1 22 22 LEU N N 15 119.47 0.05 . 1 . . . . . 19 LEU N . 50265 1 67 . 1 . 1 23 23 ALA H H 1 8.41 0.02 . 1 . . . . . 20 ALA H . 50265 1 68 . 1 . 1 23 23 ALA C C 13 177.6 0.05 . 1 . . . . . 20 ALA C . 50265 1 69 . 1 . 1 23 23 ALA CA C 13 53.19 0.05 . 1 . . . . . 20 ALA CA . 50265 1 70 . 1 . 1 23 23 ALA CB C 13 19.33 0.05 . 1 . . . . . 20 ALA CB . 50265 1 71 . 1 . 1 23 23 ALA N N 15 123.04 0.05 . 1 . . . . . 20 ALA N . 50265 1 72 . 1 . 1 24 24 CYS H H 1 8.17 0.02 . 1 . . . . . 21 CYS H . 50265 1 73 . 1 . 1 24 24 CYS C C 13 175.3 0.05 . 1 . . . . . 21 CYS C . 50265 1 74 . 1 . 1 24 24 CYS CA C 13 62.07 0.05 . 1 . . . . . 21 CYS CA . 50265 1 75 . 1 . 1 24 24 CYS CB C 13 28.45 0.05 . 1 . . . . . 21 CYS CB . 50265 1 76 . 1 . 1 24 24 CYS N N 15 117.18 0.05 . 1 . . . . . 21 CYS N . 50265 1 77 . 1 . 1 25 25 ILE H H 1 8.12 0.02 . 1 . . . . . 22 ILE H . 50265 1 78 . 1 . 1 25 25 ILE CA C 13 63.35 0.05 . 1 . . . . . 22 ILE CA . 50265 1 79 . 1 . 1 25 25 ILE CB C 13 38.56 0.05 . 1 . . . . . 22 ILE CB . 50265 1 80 . 1 . 1 25 25 ILE N N 15 120.49 0.05 . 1 . . . . . 22 ILE N . 50265 1 81 . 1 . 1 27 27 LEU H H 1 7.93 0.02 . 1 . . . . . 24 LEU H . 50265 1 82 . 1 . 1 27 27 LEU C C 13 174.3 0.05 . 1 . . . . . 24 LEU C . 50265 1 83 . 1 . 1 27 27 LEU CA C 13 53.46 0.05 . 1 . . . . . 24 LEU CA . 50265 1 84 . 1 . 1 27 27 LEU CB C 13 43.89 0.05 . 1 . . . . . 24 LEU CB . 50265 1 85 . 1 . 1 27 27 LEU N N 15 121.73 0.05 . 1 . . . . . 24 LEU N . 50265 1 86 . 1 . 1 28 28 ILE H H 1 8.14 0.02 . 1 . . . . . 25 ILE H . 50265 1 87 . 1 . 1 28 28 ILE C C 13 176.2 0.05 . 1 . . . . . 25 ILE C . 50265 1 88 . 1 . 1 28 28 ILE CA C 13 63.29 0.05 . 1 . . . . . 25 ILE CA . 50265 1 89 . 1 . 1 28 28 ILE CB C 13 38.09 0.05 . 1 . . . . . 25 ILE CB . 50265 1 90 . 1 . 1 28 28 ILE N N 15 120.02 0.05 . 1 . . . . . 25 ILE N . 50265 1 91 . 1 . 1 29 29 LYS H H 1 8.13 0.02 . 1 . . . . . 26 LYS H . 50265 1 92 . 1 . 1 29 29 LYS C C 13 177.1 0.05 . 1 . . . . . 26 LYS C . 50265 1 93 . 1 . 1 29 29 LYS CA C 13 58.87 0.05 . 1 . . . . . 26 LYS CA . 50265 1 94 . 1 . 1 29 29 LYS N N 15 121.24 0.05 . 1 . . . . . 26 LYS N . 50265 1 95 . 1 . 1 30 30 ILE H H 1 7.93 0.02 . 1 . . . . . 27 ILE H . 50265 1 96 . 1 . 1 30 30 ILE C C 13 177.8 0.05 . 1 . . . . . 27 ILE C . 50265 1 97 . 1 . 1 30 30 ILE CA C 13 62.06 0.05 . 1 . . . . . 27 ILE CA . 50265 1 98 . 1 . 1 30 30 ILE CB C 13 37.91 0.05 . 1 . . . . . 27 ILE CB . 50265 1 99 . 1 . 1 30 30 ILE N N 15 119.68 0.05 . 1 . . . . . 27 ILE N . 50265 1 100 . 1 . 1 31 31 LEU H H 1 8.37 0.02 . 1 . . . . . 28 LEU H . 50265 1 101 . 1 . 1 31 31 LEU C C 13 177.6 0.05 . 1 . . . . . 28 LEU C . 50265 1 102 . 1 . 1 31 31 LEU CA C 13 56.02 0.05 . 1 . . . . . 28 LEU CA . 50265 1 103 . 1 . 1 31 31 LEU CB C 13 42.68 0.05 . 1 . . . . . 28 LEU CB . 50265 1 104 . 1 . 1 31 31 LEU N N 15 124.59 0.05 . 1 . . . . . 28 LEU N . 50265 1 105 . 1 . 1 32 32 ALA H H 1 8.78 0.02 . 1 . . . . . 29 ALA H . 50265 1 106 . 1 . 1 32 32 ALA C C 13 177.7 0.05 . 1 . . . . . 29 ALA C . 50265 1 107 . 1 . 1 32 32 ALA CA C 13 53.17 0.05 . 1 . . . . . 29 ALA CA . 50265 1 108 . 1 . 1 32 32 ALA CB C 13 19.27 0.05 . 1 . . . . . 29 ALA CB . 50265 1 109 . 1 . 1 32 32 ALA N N 15 123.25 0.05 . 1 . . . . . 29 ALA N . 50265 1 110 . 1 . 1 33 33 ALA H H 1 8.62 0.02 . 1 . . . . . 30 ALA H . 50265 1 111 . 1 . 1 33 33 ALA C C 13 178.1 0.05 . 1 . . . . . 30 ALA C . 50265 1 112 . 1 . 1 33 33 ALA CA C 13 53.23 0.05 . 1 . . . . . 30 ALA CA . 50265 1 113 . 1 . 1 33 33 ALA CB C 13 18.88 0.05 . 1 . . . . . 30 ALA CB . 50265 1 114 . 1 . 1 33 33 ALA N N 15 120.68 0.05 . 1 . . . . . 30 ALA N . 50265 1 115 . 1 . 1 34 34 SER H H 1 8.27 0.02 . 1 . . . . . 31 SER H . 50265 1 116 . 1 . 1 34 34 SER C C 13 176.6 0.05 . 1 . . . . . 31 SER C . 50265 1 117 . 1 . 1 34 34 SER CA C 13 60.59 0.05 . 1 . . . . . 31 SER CA . 50265 1 118 . 1 . 1 34 34 SER N N 15 115.25 0.05 . 1 . . . . . 31 SER N . 50265 1 119 . 1 . 1 35 35 ALA H H 1 8.3 0.02 . 1 . . . . . 32 ALA H . 50265 1 120 . 1 . 1 35 35 ALA C C 13 178.4 0.05 . 1 . . . . . 32 ALA C . 50265 1 121 . 1 . 1 35 35 ALA CA C 13 52.61 0.05 . 1 . . . . . 32 ALA CA . 50265 1 122 . 1 . 1 35 35 ALA N N 15 121.0 0.05 . 1 . . . . . 32 ALA N . 50265 1 123 . 1 . 1 36 36 LEU H H 1 8.25 0.02 . 1 . . . . . 33 LEU H . 50265 1 124 . 1 . 1 36 36 LEU C C 13 177.1 0.05 . 1 . . . . . 33 LEU C . 50265 1 125 . 1 . 1 36 36 LEU CA C 13 55.83 0.05 . 1 . . . . . 33 LEU CA . 50265 1 126 . 1 . 1 36 36 LEU CB C 13 43.2 0.05 . 1 . . . . . 33 LEU CB . 50265 1 127 . 1 . 1 36 36 LEU N N 15 120.47 0.05 . 1 . . . . . 33 LEU N . 50265 1 128 . 1 . 1 37 37 TRP H H 1 8.57 0.02 . 1 . . . . . 34 TRP H . 50265 1 129 . 1 . 1 37 37 TRP C C 13 175.0 0.05 . 1 . . . . . 34 TRP C . 50265 1 130 . 1 . 1 37 37 TRP CA C 13 58.55 0.05 . 1 . . . . . 34 TRP CA . 50265 1 131 . 1 . 1 37 37 TRP CB C 13 30.55 0.05 . 1 . . . . . 34 TRP CB . 50265 1 132 . 1 . 1 37 37 TRP N N 15 121.74 0.05 . 1 . . . . . 34 TRP N . 50265 1 133 . 1 . 1 38 38 ALA H H 1 8.17 0.02 . 1 . . . . . 35 ALA H . 50265 1 134 . 1 . 1 38 38 ALA C C 13 176.6 0.05 . 1 . . . . . 35 ALA C . 50265 1 135 . 1 . 1 38 38 ALA CA C 13 52.78 0.05 . 1 . . . . . 35 ALA CA . 50265 1 136 . 1 . 1 38 38 ALA N N 15 126.46 0.05 . 1 . . . . . 35 ALA N . 50265 1 137 . 1 . 1 39 39 ALA H H 1 8.29 0.02 . 1 . . . . . 36 ALA H . 50265 1 138 . 1 . 1 39 39 ALA C C 13 177.5 0.05 . 1 . . . . . 36 ALA C . 50265 1 139 . 1 . 1 39 39 ALA CA C 13 52.21 0.05 . 1 . . . . . 36 ALA CA . 50265 1 140 . 1 . 1 39 39 ALA N N 15 125.76 0.05 . 1 . . . . . 36 ALA N . 50265 1 141 . 1 . 1 40 40 ALA H H 1 8.11 0.02 . 1 . . . . . 37 ALA H . 50265 1 142 . 1 . 1 40 40 ALA C C 13 176.7 0.05 . 1 . . . . . 37 ALA C . 50265 1 143 . 1 . 1 40 40 ALA CA C 13 51.66 0.05 . 1 . . . . . 37 ALA CA . 50265 1 144 . 1 . 1 40 40 ALA CB C 13 20.0 0.05 . 1 . . . . . 37 ALA CB . 50265 1 145 . 1 . 1 40 40 ALA N N 15 120.64 0.05 . 1 . . . . . 37 ALA N . 50265 1 146 . 1 . 1 41 41 TRP H H 1 7.81 0.02 . 1 . . . . . 38 TRP H . 50265 1 147 . 1 . 1 41 41 TRP CA C 13 56.08 0.05 . 1 . . . . . 38 TRP CA . 50265 1 148 . 1 . 1 41 41 TRP N N 15 118.32 0.05 . 1 . . . . . 38 TRP N . 50265 1 149 . 1 . 1 42 42 HIS H H 1 7.76 0.02 . 1 . . . . . 39 HIS H . 50265 1 150 . 1 . 1 42 42 HIS C C 13 174.0 0.05 . 1 . . . . . 39 HIS C . 50265 1 151 . 1 . 1 42 42 HIS N N 15 120.17 0.05 . 1 . . . . . 39 HIS N . 50265 1 152 . 1 . 1 43 43 GLY H H 1 7.9 0.02 . 1 . . . . . 40 GLY H . 50265 1 153 . 1 . 1 43 43 GLY N N 15 111.97 0.05 . 1 . . . . . 40 GLY N . 50265 1 154 . 1 . 1 48 48 THR C C 13 172.4 0.05 . 1 . . . . . 45 THR C . 50265 1 155 . 1 . 1 48 48 THR CA C 13 59.72 0.05 . 1 . . . . . 45 THR CA . 50265 1 156 . 1 . 1 48 48 THR CB C 13 71.56 0.05 . 1 . . . . . 45 THR CB . 50265 1 157 . 1 . 1 49 49 HIS H H 1 7.85 0.02 . 1 . . . . . 46 HIS H . 50265 1 158 . 1 . 1 49 49 HIS CA C 13 55.54 0.05 . 1 . . . . . 46 HIS CA . 50265 1 159 . 1 . 1 49 49 HIS N N 15 128.43 0.05 . 1 . . . . . 46 HIS N . 50265 1 stop_ save_