################################### # 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 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 18795 _Assigned_chem_shift_list.ID 1 _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 $chemical_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' . . . 18795 1 2 '3D 1H-15N NOESY' . . . 18795 1 3 '3D 1H-15N TOCSY' . . . 18795 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_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.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 1 1 LYS HA H 1 3.86 0.08 . 1 . . . . 1 LYS HA . 18795 1 2 . 1 1 1 1 LYS HB2 H 1 1.83 0.08 . 2 . . . . 1 LYS HB2 . 18795 1 3 . 1 1 2 2 CYS H H 1 9.034 0.001 . 1 . . . . 2 CYS H . 18795 1 4 . 1 1 2 2 CYS HA H 1 4.80 0.08 . 1 . . . . 2 CYS HA . 18795 1 5 . 1 1 2 2 CYS HB2 H 1 3.08 0.08 . 2 . . . . 2 CYS HB2 . 18795 1 6 . 1 1 2 2 CYS HB3 H 1 3.24 0.08 . 2 . . . . 2 CYS HB3 . 18795 1 7 . 1 1 2 2 CYS N N 15 119.38 0.14 . 1 . . . . 2 CYS N . 18795 1 8 . 1 1 3 3 ASN H H 1 8.801 0.001 . 1 . . . . 3 ASN H . 18795 1 9 . 1 1 3 3 ASN HA H 1 4.64 0.08 . 1 . . . . 3 ASN HA . 18795 1 10 . 1 1 3 3 ASN HB2 H 1 2.92 0.08 . 2 . . . . 3 ASN HB2 . 18795 1 11 . 1 1 3 3 ASN N N 15 118.81 0.14 . 1 . . . . 3 ASN N . 18795 1 12 . 1 1 4 4 THR H H 1 7.698 0.001 . 1 . . . . 4 THR H . 18795 1 13 . 1 1 4 4 THR HA H 1 4.49 0.08 . 1 . . . . 4 THR HA . 18795 1 14 . 1 1 4 4 THR N N 15 111.18 0.14 . 1 . . . . 4 THR N . 18795 1 15 . 1 1 5 5 ALA H H 1 8.752 0.001 . 1 . . . . 5 ALA H . 18795 1 16 . 1 1 5 5 ALA HA H 1 4.17 0.08 . 1 . . . . 5 ALA HA . 18795 1 17 . 1 1 5 5 ALA HB1 H 1 1.36 0.08 . 1 . . . . 5 ALA MB . 18795 1 18 . 1 1 5 5 ALA HB2 H 1 1.36 0.08 . 1 . . . . 5 ALA MB . 18795 1 19 . 1 1 5 5 ALA HB3 H 1 1.36 0.08 . 1 . . . . 5 ALA MB . 18795 1 20 . 1 1 5 5 ALA N N 15 120.96 0.14 . 1 . . . . 5 ALA N . 18795 1 21 . 1 1 7 7 CYS H H 1 7.910 0.001 . 1 . . . . 7 CYS H . 18795 1 22 . 1 1 7 7 CYS HB2 H 1 2.92 0.08 . 2 . . . . 7 CYS HB2 . 18795 1 23 . 1 1 7 7 CYS N N 15 119.69 0.14 . 1 . . . . 7 CYS N . 18795 1 24 . 1 1 8 8 ALA H H 1 7.586 0.001 . 1 . . . . 8 ALA H . 18795 1 25 . 1 1 8 8 ALA HA H 1 4.32 0.08 . 1 . . . . 8 ALA HA . 18795 1 26 . 1 1 8 8 ALA HB1 H 1 1.29 0.08 . 1 . . . . 8 ALA MB . 18795 1 27 . 1 1 8 8 ALA HB2 H 1 1.29 0.08 . 1 . . . . 8 ALA MB . 18795 1 28 . 1 1 8 8 ALA HB3 H 1 1.29 0.08 . 1 . . . . 8 ALA MB . 18795 1 29 . 1 1 8 8 ALA N N 15 120.76 0.14 . 1 . . . . 8 ALA N . 18795 1 30 . 1 1 9 9 THR H H 1 8.194 0.001 . 1 . . . . 9 THR H . 18795 1 31 . 1 1 9 9 THR HA H 1 4.33 0.08 . 1 . . . . 9 THR HA . 18795 1 32 . 1 1 9 9 THR HG21 H 1 1.32 0.08 . 1 . . . . 9 THR MG . 18795 1 33 . 1 1 9 9 THR HG22 H 1 1.32 0.08 . 1 . . . . 9 THR MG . 18795 1 34 . 1 1 9 9 THR HG23 H 1 1.32 0.08 . 1 . . . . 9 THR MG . 18795 1 35 . 1 1 9 9 THR N N 15 111.60 0.14 . 1 . . . . 9 THR N . 18795 1 36 . 1 1 10 10 GLN H H 1 8.009 0.001 . 1 . . . . 10 GLN H . 18795 1 37 . 1 1 10 10 GLN HA H 1 4.33 0.08 . 1 . . . . 10 GLN HA . 18795 1 38 . 1 1 10 10 GLN HB2 H 1 1.99 0.08 . 2 . . . . 10 GLN HB2 . 18795 1 39 . 1 1 10 10 GLN HG3 H 1 2.30 0.08 . 2 . . . . 10 GLN HG3 . 18795 1 40 . 1 1 10 10 GLN N N 15 118.79 0.14 . 1 . . . . 10 GLN N . 18795 1 41 . 1 1 11 11 ARG H H 1 8.226 0.001 . 1 . . . . 11 ARG H . 18795 1 42 . 1 1 11 11 ARG HA H 1 4.33 0.08 . 1 . . . . 11 ARG HA . 18795 1 43 . 1 1 11 11 ARG HB2 H 1 1.67 0.08 . 4 . . . . 11 ARG HB2 . 18795 1 44 . 1 1 11 11 ARG N N 15 118.59 0.14 . 1 . . . . 11 ARG N . 18795 1 45 . 1 1 12 12 LEU H H 1 8.040 0.001 . 1 . . . . 12 LEU H . 18795 1 46 . 1 1 12 12 LEU HA H 1 4.33 0.08 . 1 . . . . 12 LEU HA . 18795 1 47 . 1 1 12 12 LEU HB2 H 1 1.67 0.08 . 2 . . . . 12 LEU HB2 . 18795 1 48 . 1 1 12 12 LEU N N 15 119.12 0.14 . 1 . . . . 12 LEU N . 18795 1 49 . 1 1 13 13 ALA H H 1 8.091 0.001 . 1 . . . . 13 ALA H . 18795 1 50 . 1 1 13 13 ALA HA H 1 4.33 0.08 . 1 . . . . 13 ALA HA . 18795 1 51 . 1 1 13 13 ALA HB1 H 1 1.20 0.08 . 1 . . . . 13 ALA MB . 18795 1 52 . 1 1 13 13 ALA HB2 H 1 1.20 0.08 . 1 . . . . 13 ALA MB . 18795 1 53 . 1 1 13 13 ALA HB3 H 1 1.20 0.08 . 1 . . . . 13 ALA MB . 18795 1 54 . 1 1 13 13 ALA N N 15 120.10 0.14 . 1 . . . . 13 ALA N . 18795 1 55 . 1 1 14 14 ASN H H 1 8.149 0.001 . 1 . . . . 14 ASN H . 18795 1 56 . 1 1 14 14 ASN HA H 1 4.64 0.08 . 1 . . . . 14 ASN HA . 18795 1 57 . 1 1 14 14 ASN HB2 H 1 2.61 0.08 . 2 . . . . 14 ASN HB2 . 18795 1 58 . 1 1 14 14 ASN N N 15 115.62 0.14 . 1 . . . . 14 ASN N . 18795 1 59 . 1 1 15 15 PHE H H 1 8.094 0.001 . 1 . . . . 15 PHE H . 18795 1 60 . 1 1 15 15 PHE HA H 1 4.49 0.08 . 1 . . . . 15 PHE HA . 18795 1 61 . 1 1 15 15 PHE HB2 H 1 3.24 0.08 . 2 . . . . 15 PHE HB2 . 18795 1 62 . 1 1 15 15 PHE HB3 H 1 2.92 0.08 . 2 . . . . 15 PHE HB3 . 18795 1 63 . 1 1 15 15 PHE N N 15 116.34 0.14 . 1 . . . . 15 PHE N . 18795 1 64 . 1 1 16 16 LEU H H 1 8.215 0.001 . 1 . . . . 16 LEU H . 18795 1 65 . 1 1 16 16 LEU HA H 1 4.33 0.08 . 1 . . . . 16 LEU HA . 18795 1 66 . 1 1 16 16 LEU HB2 H 1 1.67 0.08 . 2 . . . . 16 LEU HB2 . 18795 1 67 . 1 1 16 16 LEU HD11 H 1 0.88 0.08 . 2 . . . . 16 LEU MD1 . 18795 1 68 . 1 1 16 16 LEU HD12 H 1 0.88 0.08 . 2 . . . . 16 LEU MD1 . 18795 1 69 . 1 1 16 16 LEU HD13 H 1 0.88 0.08 . 2 . . . . 16 LEU MD1 . 18795 1 70 . 1 1 16 16 LEU N N 15 117.86 0.14 . 1 . . . . 16 LEU N . 18795 1 71 . 1 1 17 17 VAL H H 1 7.78 0.001 . 1 . . . . 17 VAL H . 18795 1 72 . 1 1 17 17 VAL HA H 1 4.17 0.08 . 1 . . . . 17 VAL HA . 18795 1 73 . 1 1 17 17 VAL HB H 1 2.14 0.08 . 1 . . . . 17 VAL HB . 18795 1 74 . 1 1 17 17 VAL HG11 H 1 0.89 0.08 . 2 . . . . 17 VAL MG1 . 18795 1 75 . 1 1 17 17 VAL HG12 H 1 0.89 0.08 . 2 . . . . 17 VAL MG1 . 18795 1 76 . 1 1 17 17 VAL HG13 H 1 0.89 0.08 . 2 . . . . 17 VAL MG1 . 18795 1 77 . 1 1 17 17 VAL N N 15 114.77 0.14 . 1 . . . . 17 VAL N . 18795 1 78 . 1 1 18 18 HIS H H 1 8.326 0.001 . 1 . . . . 18 HIS H . 18795 1 79 . 1 1 18 18 HIS HA H 1 4.80 0.08 . 1 . . . . 18 HIS HA . 18795 1 80 . 1 1 18 18 HIS HB2 H 1 3.08 0.08 . 2 . . . . 18 HIS HB2 . 18795 1 81 . 1 1 18 18 HIS HB3 H 1 3.24 0.08 . 2 . . . . 18 HIS HB3 . 18795 1 82 . 1 1 18 18 HIS N N 15 118.74 0.14 . 1 . . . . 18 HIS N . 18795 1 83 . 1 1 19 19 SER H H 1 8.191 0.001 . 1 . . . . 19 SER H . 18795 1 84 . 1 1 19 19 SER HA H 1 4.49 0.08 . 1 . . . . 19 SER HA . 18795 1 85 . 1 1 19 19 SER HB2 H 1 3.70 0.08 . 2 . . . . 19 SER HB2 . 18795 1 86 . 1 1 19 19 SER N N 15 114.83 0.14 . 1 . . . . 19 SER N . 18795 1 87 . 1 1 20 20 SER H H 1 8.111 0.001 . 1 . . . . 20 SER H . 18795 1 88 . 1 1 20 20 SER HA H 1 4.49 0.08 . 1 . . . . 20 SER HA . 18795 1 89 . 1 1 20 20 SER HB2 H 1 3.71 0.08 . 2 . . . . 20 SER HB2 . 18795 1 90 . 1 1 20 20 SER N N 15 114.83 0.14 . 1 . . . . 20 SER N . 18795 1 91 . 1 1 21 21 ASN H H 1 8.264 0.001 . 1 . . . . 21 ASN H . 18795 1 92 . 1 1 21 21 ASN HA H 1 4.64 0.08 . 1 . . . . 21 ASN HA . 18795 1 93 . 1 1 21 21 ASN HB2 H 1 2.61 0.08 . 2 . . . . 21 ASN HB2 . 18795 1 94 . 1 1 21 21 ASN N N 15 117.98 0.14 . 1 . . . . 21 ASN N . 18795 1 95 . 1 1 22 22 ASN H H 1 8.205 0.001 . 1 . . . . 22 ASN H . 18795 1 96 . 1 1 22 22 ASN HA H 1 4.64 0.08 . 1 . . . . 22 ASN HA . 18795 1 97 . 1 1 22 22 ASN HB2 H 1 2.61 0.08 . 2 . . . . 22 ASN HB2 . 18795 1 98 . 1 1 22 22 ASN N N 15 116.73 0.14 . 1 . . . . 22 ASN N . 18795 1 99 . 1 1 23 23 PHE H H 1 8.241 0.001 . 1 . . . . 23 PHE H . 18795 1 100 . 1 1 23 23 PHE HA H 1 4.49 0.08 . 1 . . . . 23 PHE HA . 18795 1 101 . 1 1 23 23 PHE HB2 H 1 3.08 0.08 . 2 . . . . 23 PHE HB2 . 18795 1 102 . 1 1 23 23 PHE N N 15 116.68 0.14 . 1 . . . . 23 PHE N . 18795 1 103 . 1 1 24 24 GLY H H 1 8.292 0.001 . 1 . . . . 24 GLY H . 18795 1 104 . 1 1 24 24 GLY HA2 H 1 3.82 0.08 . 2 . . . . 24 GLY HA2 . 18795 1 105 . 1 1 24 24 GLY N N 15 105.43 0.14 . 1 . . . . 24 GLY N . 18795 1 106 . 1 1 25 25 ALA H H 1 7.961 0.001 . 1 . . . . 25 ALA H . 18795 1 107 . 1 1 25 25 ALA HA H 1 4.49 0.08 . 1 . . . . 25 ALA HA . 18795 1 108 . 1 1 25 25 ALA HB1 H 1 1.36 0.08 . 1 . . . . 25 ALA MB . 18795 1 109 . 1 1 25 25 ALA HB2 H 1 1.36 0.08 . 1 . . . . 25 ALA MB . 18795 1 110 . 1 1 25 25 ALA HB3 H 1 1.36 0.08 . 1 . . . . 25 ALA MB . 18795 1 111 . 1 1 25 25 ALA N N 15 119.83 0.14 . 1 . . . . 25 ALA N . 18795 1 112 . 1 1 26 26 ILE H H 1 8.043 0.001 . 1 . . . . 26 ILE H . 18795 1 113 . 1 1 26 26 ILE HA H 1 4.17 0.08 . 1 . . . . 26 ILE HA . 18795 1 114 . 1 1 26 26 ILE HB H 1 1.83 0.08 . 1 . . . . 26 ILE HB . 18795 1 115 . 1 1 26 26 ILE HG21 H 1 0.90 0.08 . 1 . . . . 26 ILE MG . 18795 1 116 . 1 1 26 26 ILE HG22 H 1 0.90 0.08 . 1 . . . . 26 ILE MG . 18795 1 117 . 1 1 26 26 ILE HG23 H 1 0.90 0.08 . 1 . . . . 26 ILE MG . 18795 1 118 . 1 1 26 26 ILE N N 15 115.87 0.14 . 1 . . . . 26 ILE N . 18795 1 119 . 1 1 27 27 LEU H H 1 8.052 0.001 . 1 . . . . 27 LEU H . 18795 1 120 . 1 1 27 27 LEU HA H 1 4.49 0.08 . 1 . . . . 27 LEU HA . 18795 1 121 . 1 1 27 27 LEU HB2 H 1 1.52 0.08 . 2 . . . . 27 LEU HB2 . 18795 1 122 . 1 1 27 27 LEU N N 15 121.48 0.14 . 1 . . . . 27 LEU N . 18795 1 123 . 1 1 28 28 SER H H 1 8.005 0.001 . 1 . . . . 28 SER H . 18795 1 124 . 1 1 28 28 SER HA H 1 4.49 0.08 . 1 . . . . 28 SER HA . 18795 1 125 . 1 1 28 28 SER HB2 H 1 3.71 0.08 . 2 . . . . 28 SER HB2 . 18795 1 126 . 1 1 28 28 SER N N 15 112.92 0.14 . 1 . . . . 28 SER N . 18795 1 127 . 1 1 29 29 SER H H 1 8.249 0.001 . 1 . . . . 29 SER H . 18795 1 128 . 1 1 29 29 SER HA H 1 4.49 0.08 . 1 . . . . 29 SER HA . 18795 1 129 . 1 1 29 29 SER HB2 H 1 3.71 0.08 . 2 . . . . 29 SER HB2 . 18795 1 130 . 1 1 29 29 SER N N 15 115.10 0.14 . 1 . . . . 29 SER N . 18795 1 131 . 1 1 30 30 THR H H 1 7.872 0.001 . 1 . . . . 30 THR H . 18795 1 132 . 1 1 30 30 THR HA H 1 4.33 0.08 . 1 . . . . 30 THR HA . 18795 1 133 . 1 1 30 30 THR HG21 H 1 1.20 0.08 . 1 . . . . 30 THR MG . 18795 1 134 . 1 1 30 30 THR HG22 H 1 1.20 0.08 . 1 . . . . 30 THR MG . 18795 1 135 . 1 1 30 30 THR HG23 H 1 1.20 0.08 . 1 . . . . 30 THR MG . 18795 1 136 . 1 1 30 30 THR N N 15 111.13 0.14 . 1 . . . . 30 THR N . 18795 1 137 . 1 1 31 31 ASN H H 1 8.185 0.001 . 1 . . . . 31 ASN H . 18795 1 138 . 1 1 31 31 ASN HA H 1 4.64 0.08 . 1 . . . . 31 ASN HA . 18795 1 139 . 1 1 31 31 ASN HB2 H 1 2.61 0.08 . 2 . . . . 31 ASN HB2 . 18795 1 140 . 1 1 31 31 ASN N N 15 118.81 0.14 . 1 . . . . 31 ASN N . 18795 1 141 . 1 1 32 32 VAL H H 1 7.869 0.001 . 1 . . . . 32 VAL H . 18795 1 142 . 1 1 32 32 VAL HA H 1 4.18 0.08 . 1 . . . . 32 VAL HA . 18795 1 143 . 1 1 32 32 VAL HB H 1 2.14 0.08 . 1 . . . . 32 VAL HB . 18795 1 144 . 1 1 32 32 VAL HG11 H 1 0.89 0.08 . 2 . . . . 32 VAL MG1 . 18795 1 145 . 1 1 32 32 VAL HG12 H 1 0.89 0.08 . 2 . . . . 32 VAL MG1 . 18795 1 146 . 1 1 32 32 VAL HG13 H 1 0.89 0.08 . 2 . . . . 32 VAL MG1 . 18795 1 147 . 1 1 32 32 VAL HG21 H 1 1.05 0.08 . 2 . . . . 32 VAL MG2 . 18795 1 148 . 1 1 32 32 VAL HG22 H 1 1.05 0.08 . 2 . . . . 32 VAL MG2 . 18795 1 149 . 1 1 32 32 VAL HG23 H 1 1.05 0.08 . 2 . . . . 32 VAL MG2 . 18795 1 150 . 1 1 32 32 VAL N N 15 114.34 0.14 . 1 . . . . 32 VAL N . 18795 1 151 . 1 1 33 33 GLY H H 1 8.304 0.001 . 1 . . . . 33 GLY H . 18795 1 152 . 1 1 33 33 GLY HA2 H 1 3.86 0.08 . 2 . . . . 33 GLY HA2 . 18795 1 153 . 1 1 33 33 GLY N N 15 107.85 0.14 . 1 . . . . 33 GLY N . 18795 1 154 . 1 1 34 34 SER H H 1 8.042 0.001 . 1 . . . . 34 SER H . 18795 1 155 . 1 1 34 34 SER HA H 1 4.49 0.08 . 1 . . . . 34 SER HA . 18795 1 156 . 1 1 34 34 SER HB2 H 1 3.71 0.08 . 2 . . . . 34 SER HB2 . 18795 1 157 . 1 1 34 34 SER N N 15 112.49 0.14 . 1 . . . . 34 SER N . 18795 1 158 . 1 1 35 35 ASN H H 1 8.416 0.001 . 1 . . . . 35 ASN H . 18795 1 159 . 1 1 35 35 ASN HA H 1 4.64 0.08 . 1 . . . . 35 ASN HA . 18795 1 160 . 1 1 35 35 ASN HB2 H 1 2.61 0.08 . 2 . . . . 35 ASN HB2 . 18795 1 161 . 1 1 35 35 ASN N N 15 119.41 0.14 . 1 . . . . 35 ASN N . 18795 1 162 . 1 1 36 36 THR H H 1 7.715 0.001 . 1 . . . . 36 THR H . 18795 1 163 . 1 1 36 36 THR HA H 1 4.33 0.08 . 1 . . . . 36 THR HA . 18795 1 164 . 1 1 36 36 THR HG21 H 1 1.20 0.08 . 1 . . . . 36 THR MG . 18795 1 165 . 1 1 36 36 THR HG22 H 1 1.20 0.08 . 1 . . . . 36 THR MG . 18795 1 166 . 1 1 36 36 THR HG23 H 1 1.20 0.08 . 1 . . . . 36 THR MG . 18795 1 167 . 1 1 36 36 THR N N 15 109.73 0.14 . 1 . . . . 36 THR N . 18795 1 168 . 1 1 37 37 TYR H H 1 8.089 0.001 . 1 . . . . 37 TYR H . 18795 1 169 . 1 1 37 37 TYR HA H 1 4.49 0.08 . 1 . . . . 37 TYR HA . 18795 1 170 . 1 1 37 37 TYR HB2 H 1 2.92 0.08 . 2 . . . . 37 TYR HB2 . 18795 1 171 . 1 1 37 37 TYR N N 15 118.08 0.14 . 1 . . . . 37 TYR N . 18795 1 stop_ save_