################################### # 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 50629 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name hingeTbPKAr1 _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 '1D 1H' . . . 50629 1 2 '2D 1H-13C HSQC' . . . 50629 1 3 '2D 1H-1H TOCSY' . . . 50629 1 4 '2D 1H-1H COSY' . . . 50629 1 5 '2D 1H-1H NOESY' . . . 50629 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 . . 50629 1 2 $software_2 . . 50629 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 1 1 THR HA H 1 3.88 0.020 . 1 . . . . . 187 THR HA . 50629 1 2 . 1 . 1 1 1 THR HB H 1 4.14 0.020 . 1 . . . . . 187 THR HB . 50629 1 3 . 1 . 1 1 1 THR HG21 H 1 1.31 0.020 . 1 . . . . . 187 THR HG21 . 50629 1 4 . 1 . 1 1 1 THR HG22 H 1 1.31 0.020 . 1 . . . . . 187 THR HG22 . 50629 1 5 . 1 . 1 1 1 THR HG23 H 1 1.31 0.020 . 1 . . . . . 187 THR HG23 . 50629 1 6 . 1 . 1 1 1 THR CA C 13 61.48 0.020 . 1 . . . . . 187 THR CA . 50629 1 7 . 1 . 1 1 1 THR CB C 13 69.11 0.020 . 1 . . . . . 187 THR CB . 50629 1 8 . 1 . 1 2 2 GLN H H 1 9.05 0.020 . 1 . . . . . 188 GLN H . 50629 1 9 . 1 . 1 2 2 GLN HA H 1 4.53 0.020 . 1 . . . . . 188 GLN HA . 50629 1 10 . 1 . 1 2 2 GLN HB2 H 1 2.12 0.020 . 2 . . . . . 188 GLN HB2 . 50629 1 11 . 1 . 1 2 2 GLN HB3 H 1 2.04 0.020 . 2 . . . . . 188 GLN HB3 . 50629 1 12 . 1 . 1 2 2 GLN HG2 H 1 2.39 0.020 . 2 . . . . . 188 GLN HG . 50629 1 13 . 1 . 1 2 2 GLN HG3 H 1 2.39 0.020 . 2 . . . . . 188 GLN HG . 50629 1 14 . 1 . 1 2 2 GLN HE21 H 1 7.69 0.020 . 2 . . . . . 188 GLN HE21 . 50629 1 15 . 1 . 1 2 2 GLN HE22 H 1 6.99 0.020 . 2 . . . . . 188 GLN HE22 . 50629 1 16 . 1 . 1 2 2 GLN CA C 13 55.94 0.020 . 1 . . . . . 188 GLN CA . 50629 1 17 . 1 . 1 2 2 GLN CB C 13 29.85 0.020 . 1 . . . . . 188 GLN CB . 50629 1 18 . 1 . 1 3 3 THR H H 1 8.68 0.020 . 1 . . . . . 189 THR H . 50629 1 19 . 1 . 1 3 3 THR HA H 1 4.41 0.000 . 1 . . . . . 189 THR HA . 50629 1 20 . 1 . 1 3 3 THR HB H 1 4.27 0.020 . 1 . . . . . 189 THR HB . 50629 1 21 . 1 . 1 3 3 THR HG21 H 1 1.23 0.020 . 1 . . . . . 189 THR HG21 . 50629 1 22 . 1 . 1 3 3 THR HG22 H 1 1.23 0.020 . 1 . . . . . 189 THR HG22 . 50629 1 23 . 1 . 1 3 3 THR HG23 H 1 1.23 0.020 . 1 . . . . . 189 THR HG23 . 50629 1 24 . 1 . 1 3 3 THR CA C 13 61.78 0.020 . 1 . . . . . 189 THR CA . 50629 1 25 . 1 . 1 3 3 THR CB C 13 70.18 0.020 . 1 . . . . . 189 THR CB . 50629 1 26 . 1 . 1 4 4 SER H H 1 8.61 0.020 . 1 . . . . . 190 SER H . 50629 1 27 . 1 . 1 4 4 SER HA H 1 4.41 0.020 . 1 . . . . . 190 SER HA . 50629 1 28 . 1 . 1 4 4 SER HB2 H 1 3.89 0.020 . 2 . . . . . 190 SER HB2 . 50629 1 29 . 1 . 1 4 4 SER HB3 H 1 3.89 0.020 . 2 . . . . . 190 SER HB3 . 50629 1 30 . 1 . 1 4 4 SER CA C 13 58.87 0.020 . 1 . . . . . 190 SER CA . 50629 1 31 . 1 . 1 4 4 SER CB C 13 63.63 0.020 . 1 . . . . . 190 SER CB . 50629 1 32 . 1 . 1 5 5 ALA H H 1 8.52 0.020 . 1 . . . . . 191 ALA H . 50629 1 33 . 1 . 1 5 5 ALA HA H 1 4.26 0.020 . 1 . . . . . 191 ALA HA . 50629 1 34 . 1 . 1 5 5 ALA HB1 H 1 1.38 0.020 . 1 . . . . . 191 ALA HB1 . 50629 1 35 . 1 . 1 5 5 ALA HB2 H 1 1.38 0.020 . 1 . . . . . 191 ALA HB2 . 50629 1 36 . 1 . 1 5 5 ALA HB3 H 1 1.38 0.020 . 1 . . . . . 191 ALA HB3 . 50629 1 37 . 1 . 1 5 5 ALA CA C 13 52.99 0.020 . 1 . . . . . 191 ALA CA . 50629 1 38 . 1 . 1 5 5 ALA CB C 13 19.07 0.020 . 1 . . . . . 191 ALA CB . 50629 1 39 . 1 . 1 6 6 ASP H H 1 8.31 0.020 . 1 . . . . . 192 ASP H . 50629 1 40 . 1 . 1 6 6 ASP HA H 1 4.56 0.020 . 1 . . . . . 192 ASP HA . 50629 1 41 . 1 . 1 6 6 ASP HB2 H 1 2.77 0.020 . 2 . . . . . 192 ASP HB2 . 50629 1 42 . 1 . 1 6 6 ASP HB3 H 1 2.66 0.020 . 2 . . . . . 192 ASP HB3 . 50629 1 43 . 1 . 1 6 6 ASP CA C 13 54.53 0.020 . 1 . . . . . 192 ASP CA . 50629 1 44 . 1 . 1 6 6 ASP CB C 13 40.80 0.020 . 1 . . . . . 192 ASP CB . 50629 1 45 . 1 . 1 7 7 LEU H H 1 8.39 0.020 . 1 . . . . . 193 LEU H . 50629 1 46 . 1 . 1 7 7 LEU HA H 1 4.33 0.020 . 1 . . . . . 193 LEU HA . 50629 1 47 . 1 . 1 7 7 LEU HB2 H 1 1.73 0.020 . 1 . . . . . 193 LEU HB2 . 50629 1 48 . 1 . 1 7 7 LEU HB3 H 1 1.65 0.020 . 1 . . . . . 193 LEU HB3 . 50629 1 49 . 1 . 1 7 7 LEU HD11 H 1 0.93 0.020 . 2 . . . . . 193 LEU HD11 . 50629 1 50 . 1 . 1 7 7 LEU HD12 H 1 0.93 0.020 . 2 . . . . . 193 LEU HD12 . 50629 1 51 . 1 . 1 7 7 LEU HD13 H 1 0.93 0.020 . 2 . . . . . 193 LEU HD13 . 50629 1 52 . 1 . 1 7 7 LEU HD21 H 1 0.85 0.020 . 2 . . . . . 193 LEU HD21 . 50629 1 53 . 1 . 1 7 7 LEU HD22 H 1 0.85 0.020 . 2 . . . . . 193 LEU HD22 . 50629 1 54 . 1 . 1 7 7 LEU HD23 H 1 0.85 0.020 . 2 . . . . . 193 LEU HD23 . 50629 1 55 . 1 . 1 7 7 LEU CA C 13 55.67 0.020 . 1 . . . . . 193 LEU CA . 50629 1 56 . 1 . 1 7 7 LEU CB C 13 41.84 0.020 . 1 . . . . . 193 LEU CB . 50629 1 57 . 1 . 1 8 8 THR H H 1 8.23 0.020 . 1 . . . . . 194 THR H . 50629 1 58 . 1 . 1 8 8 THR HA H 1 4.23 0.020 . 1 . . . . . 194 THR HA . 50629 1 59 . 1 . 1 8 8 THR HB H 1 4.16 0.020 . 1 . . . . . 194 THR HB . 50629 1 60 . 1 . 1 8 8 THR HG21 H 1 1.22 0.020 . 1 . . . . . 194 THR HG21 . 50629 1 61 . 1 . 1 8 8 THR HG22 H 1 1.22 0.020 . 1 . . . . . 194 THR HG22 . 50629 1 62 . 1 . 1 8 8 THR HG23 H 1 1.22 0.020 . 1 . . . . . 194 THR HG23 . 50629 1 63 . 1 . 1 8 8 THR CA C 13 62.89 0.020 . 1 . . . . . 194 THR CA . 50629 1 64 . 1 . 1 8 8 THR CB C 13 69.15 0.020 . 1 . . . . . 194 THR CB . 50629 1 65 . 1 . 1 9 9 ALA H H 1 8.15 0.020 . 1 . . . . . 195 ALA H . 50629 1 66 . 1 . 1 9 9 ALA HA H 1 4.32 0.020 . 1 . . . . . 195 ALA HA . 50629 1 67 . 1 . 1 9 9 ALA HB1 H 1 1.38 0.020 . 1 . . . . . 195 ALA HB1 . 50629 1 68 . 1 . 1 9 9 ALA HB2 H 1 1.38 0.020 . 1 . . . . . 195 ALA HB2 . 50629 1 69 . 1 . 1 9 9 ALA HB3 H 1 1.38 0.020 . 1 . . . . . 195 ALA HB3 . 50629 1 70 . 1 . 1 9 9 ALA CA C 13 52.79 0.020 . 1 . . . . . 195 ALA CA . 50629 1 71 . 1 . 1 9 9 ALA CB C 13 19.07 0.020 . 1 . . . . . 195 ALA CB . 50629 1 72 . 1 . 1 10 10 ILE H H 1 8.15 0.020 . 1 . . . . . 196 ILE H . 50629 1 73 . 1 . 1 10 10 ILE HA H 1 4.14 0.020 . 1 . . . . . 196 ILE HA . 50629 1 74 . 1 . 1 10 10 ILE HB H 1 1.89 0.020 . 1 . . . . . 196 ILE HB . 50629 1 75 . 1 . 1 10 10 ILE HG12 H 1 1.51 0.020 . 1 . . . . . 196 ILE HG12 . 50629 1 76 . 1 . 1 10 10 ILE HG13 H 1 1.21 0.020 . 1 . . . . . 196 ILE HG13 . 50629 1 77 . 1 . 1 10 10 ILE HG21 H 1 0.92 0.020 . 1 . . . . . 196 ILE HG21 . 50629 1 78 . 1 . 1 10 10 ILE HG22 H 1 0.92 0.020 . 1 . . . . . 196 ILE HG22 . 50629 1 79 . 1 . 1 10 10 ILE HG23 H 1 0.92 0.020 . 1 . . . . . 196 ILE HG23 . 50629 1 80 . 1 . 1 10 10 ILE HD11 H 1 0.86 0.020 . 1 . . . . . 196 ILE HD11 . 50629 1 81 . 1 . 1 10 10 ILE HD12 H 1 0.86 0.020 . 1 . . . . . 196 ILE HD12 . 50629 1 82 . 1 . 1 10 10 ILE HD13 H 1 0.86 0.020 . 1 . . . . . 196 ILE HD13 . 50629 1 83 . 1 . 1 10 10 ILE CA C 13 61.77 0.020 . 1 . . . . . 196 ILE CA . 50629 1 84 . 1 . 1 10 10 ILE CB C 13 38.53 0.020 . 1 . . . . . 196 ILE CB . 50629 1 85 . 1 . 1 11 11 GLY H H 1 8.59 0.020 . 1 . . . . . 197 GLY H . 50629 1 86 . 1 . 1 11 11 GLY HA2 H 1 4.02 0.020 . 1 . . . . . 197 GLY HA2 . 50629 1 87 . 1 . 1 11 11 GLY HA3 H 1 3.95 0.020 . 1 . . . . . 197 GLY HA3 . 50629 1 88 . 1 . 1 11 11 GLY CA C 13 45.45 0.020 . 1 . . . . . 197 GLY CA . 50629 1 89 . 1 . 1 12 12 GLY H H 1 8.43 0.020 . 1 . . . . . 198 GLY H . 50629 1 90 . 1 . 1 12 12 GLY HA2 H 1 3.99 0.02 . 1 . . . . . 198 GLY HA2 . 50629 1 91 . 1 . 1 12 12 GLY HA3 H 1 3.99 0.02 . 1 . . . . . 198 GLY HA3 . 50629 1 92 . 1 . 1 12 12 GLY CA C 13 45.54 0.02 . 1 . . . . . 198 GLY CA . 50629 1 93 . 1 . 1 13 13 GLY H H 1 8.45 0.02 . 1 . . . . . 199 GLY H . 50629 1 94 . 1 . 1 13 13 GLY HA2 H 1 3.94 0.02 . 1 . . . . . 199 GLY HA2 . 50629 1 95 . 1 . 1 13 13 GLY HA3 H 1 3.94 0.02 . 1 . . . . . 199 GLY HA3 . 50629 1 96 . 1 . 1 13 13 GLY CA C 13 45.32 0.02 . 1 . . . . . 199 GLY CA . 50629 1 97 . 1 . 1 14 14 ARG H H 1 8.25 0.02 . 1 . . . . . 200 ARG H . 50629 1 98 . 1 . 1 14 14 ARG HA H 1 4.33 0.02 . 1 . . . . . 200 ARG HA . 50629 1 99 . 1 . 1 14 14 ARG HB2 H 1 1.84 0.02 . 2 . . . . . 200 ARG HB2 . 50629 1 100 . 1 . 1 14 14 ARG HB3 H 1 1.78 0.02 . 2 . . . . . 200 ARG HB3 . 50629 1 101 . 1 . 1 14 14 ARG HG2 H 1 1.63 0.02 . 2 . . . . . 200 ARG HG2 . 50629 1 102 . 1 . 1 14 14 ARG HG3 H 1 1.63 0.02 . 2 . . . . . 200 ARG HG3 . 50629 1 103 . 1 . 1 14 14 ARG HD2 H 1 3.20 0.02 . 2 . . . . . 200 ARG HD2 . 50629 1 104 . 1 . 1 14 14 ARG HD3 H 1 3.20 0.02 . 2 . . . . . 200 ARG HD3 . 50629 1 105 . 1 . 1 14 14 ARG HE H 1 7.25 0.02 . 1 . . . . . 200 ARG HE . 50629 1 106 . 1 . 1 14 14 ARG CA C 13 55.86 0.02 . 1 . . . . . 200 ARG CA . 50629 1 107 . 1 . 1 14 14 ARG CB C 13 30.85 0.02 . 1 . . . . . 200 ARG CB . 50629 1 108 . 1 . 1 15 15 LYS H H 1 8.47 0.02 . 1 . . . . . 201 LYS H . 50629 1 109 . 1 . 1 15 15 LYS HA H 1 4.31 0.02 . 1 . . . . . 201 LYS HA . 50629 1 110 . 1 . 1 15 15 LYS HB2 H 1 1.80 0.02 . 2 . . . . . 201 LYS HB2 . 50629 1 111 . 1 . 1 15 15 LYS HB3 H 1 1.74 0.02 . 2 . . . . . 201 LYS HB3 . 50629 1 112 . 1 . 1 15 15 LYS HG2 H 1 1.45 0.02 . 2 . . . . . 201 LYS HG2 . 50629 1 113 . 1 . 1 15 15 LYS HG3 H 1 1.42 0.02 . 2 . . . . . 201 LYS HG3 . 50629 1 114 . 1 . 1 15 15 LYS HD2 H 1 1.67 0.02 . 1 . . . . . 201 LYS HD2 . 50629 1 115 . 1 . 1 15 15 LYS HD3 H 1 1.67 0.02 . 1 . . . . . 201 LYS HD3 . 50629 1 116 . 1 . 1 15 15 LYS HE2 H 1 2.98 0.02 . 1 . . . . . 201 LYS HE2 . 50629 1 117 . 1 . 1 15 15 LYS HE3 H 1 2.98 0.02 . 1 . . . . . 201 LYS HE3 . 50629 1 118 . 1 . 1 15 15 LYS HZ1 H 1 7.60 0.02 . 1 . . . . . 201 LYS HZ1 . 50629 1 119 . 1 . 1 15 15 LYS HZ2 H 1 7.60 0.02 . 1 . . . . . 201 LYS HZ2 . 50629 1 120 . 1 . 1 15 15 LYS HZ3 H 1 7.60 0.02 . 1 . . . . . 201 LYS HZ3 . 50629 1 121 . 1 . 1 15 15 LYS CA C 13 56.24 0.02 . 1 . . . . . 201 LYS CA . 50629 1 122 . 1 . 1 15 15 LYS CB C 13 33.07 0.02 . 1 . . . . . 201 LYS CB . 50629 1 123 . 1 . 1 16 16 ARG H H 1 8.52 0.02 . 1 . . . . . 202 ARG H . 50629 1 124 . 1 . 1 16 16 ARG HA H 1 4.30 0.02 . 1 . . . . . 202 ARG HA . 50629 1 125 . 1 . 1 16 16 ARG HB2 H 1 1.77 0.02 . 2 . . . . . 202 ARG HB2 . 50629 1 126 . 1 . 1 16 16 ARG HB3 H 1 1.77 0.02 . 2 . . . . . 202 ARG HB3 . 50629 1 127 . 1 . 1 16 16 ARG HG2 H 1 1.63 0.02 . 2 . . . . . 202 ARG HG2 . 50629 1 128 . 1 . 1 16 16 ARG HG3 H 1 1.63 0.02 . 2 . . . . . 202 ARG HG3 . 50629 1 129 . 1 . 1 16 16 ARG HD2 H 1 3.20 0.02 . 2 . . . . . 202 ARG HD2 . 50629 1 130 . 1 . 1 16 16 ARG HD3 H 1 3.20 0.02 . 2 . . . . . 202 ARG HD3 . 50629 1 131 . 1 . 1 16 16 ARG HE H 1 7.25 0.02 . 1 . . . . . 202 ARG HE . 50629 1 132 . 1 . 1 16 16 ARG CA C 13 56.48 0.02 . 1 . . . . . 202 ARG CA . 50629 1 133 . 1 . 1 16 16 ARG CB C 13 30.73 0.02 . 1 . . . . . 202 ARG CB . 50629 1 134 . 1 . 1 17 17 ARG H H 1 8.46 0.02 . 1 . . . . . 203 ARG H . 50629 1 135 . 1 . 1 17 17 ARG HA H 1 4.41 0.02 . 1 . . . . . 203 ARG HA . 50629 1 136 . 1 . 1 17 17 ARG HB2 H 1 1.86 0.02 . 2 . . . . . 203 ARG HB2 . 50629 1 137 . 1 . 1 17 17 ARG HB3 H 1 1.78 0.02 . 2 . . . . . 203 ARG HB3 . 50629 1 138 . 1 . 1 17 17 ARG HG2 H 1 1.65 0.02 . 2 . . . . . 203 ARG HG2 . 50629 1 139 . 1 . 1 17 17 ARG HG3 H 1 1.65 0.02 . 2 . . . . . 203 ARG HG3 . 50629 1 140 . 1 . 1 17 17 ARG HD2 H 1 3.20 0.02 . 2 . . . . . 203 ARG HD2 . 50629 1 141 . 1 . 1 17 17 ARG HD3 H 1 3.20 0.02 . 2 . . . . . 203 ARG HD3 . 50629 1 142 . 1 . 1 17 17 ARG HE H 1 7.26 0.02 . 1 . . . . . 203 ARG HE . 50629 1 143 . 1 . 1 17 17 ARG CA C 13 56.16 0.02 . 1 . . . . . 203 ARG CA . 50629 1 144 . 1 . 1 17 17 ARG CB C 13 30.75 0.02 . 1 . . . . . 203 ARG CB . 50629 1 145 . 1 . 1 18 18 THR H H 1 8.46 0.02 . 1 . . . . . 204 THR H . 50629 1 146 . 1 . 1 18 18 THR HA H 1 4.43 0.02 . 1 . . . . . 204 THR HA . 50629 1 147 . 1 . 1 18 18 THR HB H 1 4.22 0.02 . 1 . . . . . 204 THR HB . 50629 1 148 . 1 . 1 18 18 THR HG21 H 1 1.20 0.02 . 1 . . . . . 204 THR HG21 . 50629 1 149 . 1 . 1 18 18 THR HG22 H 1 1.20 0.02 . 1 . . . . . 204 THR HG22 . 50629 1 150 . 1 . 1 18 18 THR HG23 H 1 1.20 0.02 . 1 . . . . . 204 THR HG23 . 50629 1 151 . 1 . 1 18 18 THR CA C 13 61.74 0.02 . 1 . . . . . 204 THR CA . 50629 1 152 . 1 . 1 18 18 THR CB C 13 70.01 0.02 . 1 . . . . . 204 THR CB . 50629 1 153 . 1 . 1 19 19 THR H H 1 8.39 0.02 . 1 . . . . . 205 THR H . 50629 1 154 . 1 . 1 19 19 THR HA H 1 4.39 0.02 . 1 . . . . . 205 THR HA . 50629 1 155 . 1 . 1 19 19 THR HB H 1 4.26 0.02 . 1 . . . . . 205 THR HB . 50629 1 156 . 1 . 1 19 19 THR HG21 H 1 1.19 0.02 . 1 . . . . . 205 THR HG21 . 50629 1 157 . 1 . 1 19 19 THR HG22 H 1 1.19 0.02 . 1 . . . . . 205 THR HG22 . 50629 1 158 . 1 . 1 19 19 THR HG23 H 1 1.19 0.02 . 1 . . . . . 205 THR HG23 . 50629 1 159 . 1 . 1 19 19 THR CA C 13 61.78 0.02 . 1 . . . . . 205 THR CA . 50629 1 160 . 1 . 1 19 19 THR CB C 13 69.63 0.02 . 1 . . . . . 205 THR CB . 50629 1 161 . 1 . 1 20 20 VAL H H 1 8.43 0.02 . 1 . . . . . 206 VAL H . 50629 1 162 . 1 . 1 20 20 VAL HA H 1 4.11 0.02 . 1 . . . . . 206 VAL HA . 50629 1 163 . 1 . 1 20 20 VAL HB H 1 2.05 0.02 . 1 . . . . . 206 VAL HB . 50629 1 164 . 1 . 1 20 20 VAL HG11 H 1 0.93 0.02 . 1 . . . . . 206 VAL HG11 . 50629 1 165 . 1 . 1 20 20 VAL HG12 H 1 0.93 0.02 . 1 . . . . . 206 VAL HG12 . 50629 1 166 . 1 . 1 20 20 VAL HG13 H 1 0.93 0.02 . 1 . . . . . 206 VAL HG13 . 50629 1 167 . 1 . 1 20 20 VAL CA C 13 62.36 0.02 . 1 . . . . . 206 VAL CA . 50629 1 168 . 1 . 1 20 20 VAL CB C 13 32.94 0.02 . 1 . . . . . 206 VAL CB . 50629 1 169 . 1 . 1 21 21 ARG H H 1 8.65 0.02 . 1 . . . . . 207 ARG H . 50629 1 170 . 1 . 1 21 21 ARG HA H 1 4.27 0.02 . 1 . . . . . 207 ARG HA . 50629 1 171 . 1 . 1 21 21 ARG HB2 H 1 1.85 0.02 . 2 . . . . . 207 ARG HB2 . 50629 1 172 . 1 . 1 21 21 ARG HB3 H 1 1.78 0.02 . 2 . . . . . 207 ARG HB3 . 50629 1 173 . 1 . 1 21 21 ARG HG2 H 1 1.65 0.02 . 2 . . . . . 207 ARG HG2 . 50629 1 174 . 1 . 1 21 21 ARG HG3 H 1 1.65 0.02 . 2 . . . . . 207 ARG HG3 . 50629 1 175 . 1 . 1 21 21 ARG HD2 H 1 3.20 0.02 . 2 . . . . . 207 ARG HD2 . 50629 1 176 . 1 . 1 21 21 ARG HD3 H 1 3.20 0.02 . 2 . . . . . 207 ARG HD3 . 50629 1 177 . 1 . 1 21 21 ARG HE H 1 7.27 0.02 . 1 . . . . . 207 ARG HE . 50629 1 178 . 1 . 1 21 21 ARG CA C 13 56.19 0.02 . 1 . . . . . 207 ARG CA . 50629 1 179 . 1 . 1 21 21 ARG CB C 13 30.85 0.02 . 1 . . . . . 207 ARG CB . 50629 1 180 . 1 . 1 22 22 GLY H H 1 8.62 0.02 . 1 . . . . . 208 GLY H . 50629 1 181 . 1 . 1 22 22 GLY HA2 H 1 4.00 0.02 . 1 . . . . . 208 GLY HA2 . 50629 1 182 . 1 . 1 22 22 GLY HA3 H 1 4.00 0.02 . 1 . . . . . 208 GLY HA3 . 50629 1 183 . 1 . 1 22 22 GLY CA C 13 45.35 0.02 . 1 . . . . . 208 GLY CA . 50629 1 184 . 1 . 1 23 23 GLU H H 1 8.42 0.02 . 1 . . . . . 209 GLU H . 50629 1 185 . 1 . 1 23 23 GLU HA H 1 4.31 0.02 . 1 . . . . . 209 GLU HA . 50629 1 186 . 1 . 1 23 23 GLU HB2 H 1 2.08 0.02 . 2 . . . . . 209 GLU HB2 . 50629 1 187 . 1 . 1 23 23 GLU HB3 H 1 1.96 0.02 . 2 . . . . . 209 GLU HB3 . 50629 1 188 . 1 . 1 23 23 GLU HG2 H 1 2.28 0.02 . 2 . . . . . 209 GLU HG2 . 50629 1 189 . 1 . 1 23 23 GLU HG3 H 1 2.28 0.02 . 2 . . . . . 209 GLU HG3 . 50629 1 190 . 1 . 1 23 23 GLU CA C 13 56.68 0.02 . 1 . . . . . 209 GLU CA . 50629 1 191 . 1 . 1 23 23 GLU CB C 13 30.30 0.02 . 1 . . . . . 209 GLU CB . 50629 1 192 . 1 . 1 24 24 GLY H H 1 8.65 0.02 . 1 . . . . . 210 GLY H . 50629 1 193 . 1 . 1 24 24 GLY HA2 H 1 3.96 0.02 . 1 . . . . . 210 GLY HA2 . 50629 1 194 . 1 . 1 24 24 GLY HA3 H 1 3.96 0.02 . 1 . . . . . 210 GLY HA3 . 50629 1 195 . 1 . 1 24 24 GLY CA C 13 45.11 0.02 . 1 . . . . . 210 GLY CA . 50629 1 196 . 1 . 1 25 25 ILE H H 1 8.12 0.02 . 1 . . . . . 211 ILE H . 50629 1 197 . 1 . 1 25 25 ILE HA H 1 4.15 0.02 . 1 . . . . . 211 ILE HA . 50629 1 198 . 1 . 1 25 25 ILE HB H 1 1.87 0.02 . 1 . . . . . 211 ILE HB . 50629 1 199 . 1 . 1 25 25 ILE HG12 H 1 1.44 0.02 . 1 . . . . . 211 ILE HG12 . 50629 1 200 . 1 . 1 25 25 ILE HG13 H 1 1.17 0.02 . 1 . . . . . 211 ILE HG13 . 50629 1 201 . 1 . 1 25 25 ILE HG21 H 1 0.92 0.02 . 1 . . . . . 211 ILE HG21 . 50629 1 202 . 1 . 1 25 25 ILE HG22 H 1 0.92 0.02 . 1 . . . . . 211 ILE HG22 . 50629 1 203 . 1 . 1 25 25 ILE HG23 H 1 0.92 0.02 . 1 . . . . . 211 ILE HG23 . 50629 1 204 . 1 . 1 25 25 ILE HD11 H 1 0.87 0.02 . 1 . . . . . 211 ILE HD11 . 50629 1 205 . 1 . 1 25 25 ILE HD12 H 1 0.87 0.02 . 1 . . . . . 211 ILE HD12 . 50629 1 206 . 1 . 1 25 25 ILE HD13 H 1 0.87 0.02 . 1 . . . . . 211 ILE HD13 . 50629 1 207 . 1 . 1 25 25 ILE CA C 13 61.10 0.02 . 1 . . . . . 211 ILE CA . 50629 1 208 . 1 . 1 25 25 ILE CB C 13 38.53 0.02 . 1 . . . . . 211 ILE CB . 50629 1 stop_ save_