################################### # 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 30032 _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 $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-1H NOESY' . . . 30032 1 2 '2D 1H-1H TOCSY' . . . 30032 1 3 '2D 1H-13C HSQC aliphatic' . . . 30032 1 4 '2D 1H-13C HSQC aromatic' . . . 30032 1 5 '2D 1H-15N HSQC' . . . 30032 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 3 $software_3 . . 30032 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 2 2 ILE H H 1 7.806 0.003 . 1 . 118 1 A 2 ILE H . 30032 1 2 . 1 1 2 2 ILE HA H 1 3.871 0.002 . 1 . 113 1 A 2 ILE HA . 30032 1 3 . 1 1 2 2 ILE HB H 1 1.505 0.009 . 1 . 117 1 A 2 ILE HB . 30032 1 4 . 1 1 2 2 ILE HG12 H 1 0.869 0.006 . 2 . 116 1 A 2 ILE HG12 . 30032 1 5 . 1 1 2 2 ILE HG13 H 1 1.231 0.006 . 2 . 175 1 A 2 ILE HG13 . 30032 1 6 . 1 1 2 2 ILE HG21 H 1 0.390 0.008 . 1 . 114 1 A 2 ILE HG21 . 30032 1 7 . 1 1 2 2 ILE HG22 H 1 0.390 0.008 . 1 . 114 1 A 2 ILE HG22 . 30032 1 8 . 1 1 2 2 ILE HG23 H 1 0.390 0.008 . 1 . 114 1 A 2 ILE HG23 . 30032 1 9 . 1 1 2 2 ILE HD11 H 1 0.638 0.007 . 1 . 115 1 A 2 ILE HD11 . 30032 1 10 . 1 1 2 2 ILE HD12 H 1 0.638 0.007 . 1 . 115 1 A 2 ILE HD12 . 30032 1 11 . 1 1 2 2 ILE HD13 H 1 0.638 0.007 . 1 . 115 1 A 2 ILE HD13 . 30032 1 12 . 1 1 2 2 ILE CB C 13 38.604 . . 1 . 165 1 A 2 ILE CB . 30032 1 13 . 1 1 2 2 ILE CG1 C 13 26.965 0.353 . 1 . 144 1 A 2 ILE CG1 . 30032 1 14 . 1 1 2 2 ILE CG2 C 13 17.093 . . 1 . 135 1 A 2 ILE CG2 . 30032 1 15 . 1 1 2 2 ILE CD1 C 13 12.658 . . 1 . 138 1 A 2 ILE CD1 . 30032 1 16 . 1 1 3 3 LEU H H 1 9.013 0.004 . 1 . 112 1 A 3 LEU H . 30032 1 17 . 1 1 3 3 LEU HA H 1 4.425 0.006 . 1 . 107 1 A 3 LEU HA . 30032 1 18 . 1 1 3 3 LEU HB2 H 1 1.665 0.003 . 1 . 111 1 A 3 LEU HB2 . 30032 1 19 . 1 1 3 3 LEU HB3 H 1 1.665 0.003 . 1 . 110 1 A 3 LEU HB3 . 30032 1 20 . 1 1 3 3 LEU HG H 1 1.608 0.01 . 1 . 109 1 A 3 LEU HG . 30032 1 21 . 1 1 3 3 LEU HD11 H 1 0.736 0.008 . 2 . 106 1 A 3 LEU HD11 . 30032 1 22 . 1 1 3 3 LEU HD12 H 1 0.736 0.008 . 2 . 106 1 A 3 LEU HD12 . 30032 1 23 . 1 1 3 3 LEU HD13 H 1 0.736 0.008 . 2 . 106 1 A 3 LEU HD13 . 30032 1 24 . 1 1 3 3 LEU HD21 H 1 0.792 0.009 . 2 . 108 1 A 3 LEU HD21 . 30032 1 25 . 1 1 3 3 LEU HD22 H 1 0.792 0.009 . 2 . 108 1 A 3 LEU HD22 . 30032 1 26 . 1 1 3 3 LEU HD23 H 1 0.792 0.009 . 2 . 108 1 A 3 LEU HD23 . 30032 1 27 . 1 1 3 3 LEU CB C 13 42.471 . . 1 . 164 1 A 3 LEU CB . 30032 1 28 . 1 1 3 3 LEU CG C 13 27.386 . . 1 . 163 1 A 3 LEU CG . 30032 1 29 . 1 1 3 3 LEU CD1 C 13 23.144 . . 2 . 142 1 A 3 LEU CD1 . 30032 1 30 . 1 1 3 3 LEU CD2 C 13 25.069 . . 2 . 143 1 A 3 LEU CD2 . 30032 1 31 . 1 1 3 3 LEU N N 15 119.128 . . 1 . 199 1 A 3 LEU N . 30032 1 32 . 1 1 4 4 TYR H H 1 8.584 0.009 . 1 . 17 1 A 4 TYR H . 30032 1 33 . 1 1 4 4 TYR HA H 1 4.334 0.011 . 1 . 16 1 A 4 TYR HA . 30032 1 34 . 1 1 4 4 TYR HB2 H 1 2.703 0.008 . 2 . 18 1 A 4 TYR HB2 . 30032 1 35 . 1 1 4 4 TYR HB3 H 1 2.598 0.007 . 2 . 19 1 A 4 TYR HB3 . 30032 1 36 . 1 1 4 4 TYR HD1 H 1 6.799 0.008 . 1 . 104 1 A 4 TYR HD1 . 30032 1 37 . 1 1 4 4 TYR HD2 H 1 6.799 0.008 . 1 . 104 1 A 4 TYR HD2 . 30032 1 38 . 1 1 4 4 TYR HE1 H 1 6.618 0.008 . 1 . 105 1 A 4 TYR HE1 . 30032 1 39 . 1 1 4 4 TYR HE2 H 1 6.618 0.008 . 1 . 105 1 A 4 TYR HE2 . 30032 1 40 . 1 1 4 4 TYR CB C 13 38.793 . . 1 . 154 1 A 4 TYR CB . 30032 1 41 . 1 1 4 4 TYR CD1 C 13 132.704 . . 1 . 172 1 A 4 TYR CD1 . 30032 1 42 . 1 1 4 4 TYR CD2 C 13 132.704 . . 1 . 172 1 A 4 TYR CD2 . 30032 1 43 . 1 1 4 4 TYR CE1 C 13 117.871 . . 1 . 173 1 A 4 TYR CE1 . 30032 1 44 . 1 1 4 4 TYR CE2 C 13 117.871 . . 1 . 173 1 A 4 TYR CE2 . 30032 1 45 . 1 1 5 5 ALA H H 1 8.477 0.003 . 1 . 13 1 A 5 ALA H . 30032 1 46 . 1 1 5 5 ALA HA H 1 4.989 0.004 . 1 . 14 1 A 5 ALA HA . 30032 1 47 . 1 1 5 5 ALA HB1 H 1 1.070 0.009 . 1 . 15 1 A 5 ALA HB1 . 30032 1 48 . 1 1 5 5 ALA HB2 H 1 1.070 0.009 . 1 . 15 1 A 5 ALA HB2 . 30032 1 49 . 1 1 5 5 ALA HB3 H 1 1.070 0.009 . 1 . 15 1 A 5 ALA HB3 . 30032 1 50 . 1 1 5 5 ALA N N 15 125.605 . . 1 . 197 1 A 5 ALA N . 30032 1 51 . 1 1 6 6 CYS H H 1 8.818 0.002 . 1 . 20 1 A 6 CYS H . 30032 1 52 . 1 1 6 6 CYS HA H 1 4.338 0.011 . 1 . 21 1 A 6 CYS HA . 30032 1 53 . 1 1 6 6 CYS HB2 H 1 3.198 0.007 . 2 . 22 1 A 6 CYS HB2 . 30032 1 54 . 1 1 6 6 CYS HB3 H 1 2.642 0.011 . 2 . 23 1 A 6 CYS HB3 . 30032 1 55 . 1 1 6 6 CYS CB C 13 29.561 0.069 . 1 . 183 1 A 6 CYS CB . 30032 1 56 . 1 1 6 6 CYS N N 15 123.747 . . 1 . 196 1 A 6 CYS N . 30032 1 57 . 1 1 7 7 ASP H H 1 9.029 0.001 . 1 . 262 1 A 7 ASP H . 30032 1 58 . 1 1 7 7 ASP HA H 1 4.356 0.011 . 1 . 263 1 A 7 ASP HA . 30032 1 59 . 1 1 7 7 ASP HB2 H 1 2.608 0.006 . 1 . 266 1 A 7 ASP HB2 . 30032 1 60 . 1 1 7 7 ASP HB3 H 1 2.608 0.006 . 1 . 264 1 A 7 ASP HB3 . 30032 1 61 . 1 1 7 7 ASP CB C 13 40.949 . . 1 . 273 1 A 7 ASP CB . 30032 1 62 . 1 1 7 7 ASP N N 15 130.789 . . 1 . 265 1 A 7 ASP N . 30032 1 63 . 1 1 8 8 SER HA H 1 3.617 0.003 . 1 . 120 1 A 8 SER HA . 30032 1 64 . 1 1 8 8 SER HB2 H 1 3.491 0.007 . 2 . 119 1 A 8 SER HB2 . 30032 1 65 . 1 1 8 8 SER HB3 H 1 3.400 0.008 . 2 . 121 1 A 8 SER HB3 . 30032 1 66 . 1 1 9 9 CYS H H 1 8.030 0.006 . 1 . 67 1 A 9 CYS H . 30032 1 67 . 1 1 9 9 CYS HA H 1 4.936 0.004 . 1 . 66 1 A 9 CYS HA . 30032 1 68 . 1 1 9 9 CYS HB2 H 1 3.232 0.012 . 2 . 68 1 A 9 CYS HB2 . 30032 1 69 . 1 1 9 9 CYS HB3 H 1 2.701 0.008 . 2 . 69 1 A 9 CYS HB3 . 30032 1 70 . 1 1 9 9 CYS CB C 13 32.276 0.017 . 1 . 182 1 A 9 CYS CB . 30032 1 71 . 1 1 10 10 GLY H H 1 7.928 0.004 . 1 . 7 1 A 10 GLY H . 30032 1 72 . 1 1 10 10 GLY HA2 H 1 4.061 0.011 . 2 . 6 1 A 10 GLY HA2 . 30032 1 73 . 1 1 10 10 GLY HA3 H 1 3.782 0.011 . 2 . 8 1 A 10 GLY HA3 . 30032 1 74 . 1 1 10 10 GLY CA C 13 46.046 0.131 . 1 . 128 1 A 10 GLY CA . 30032 1 75 . 1 1 10 10 GLY N N 15 111.529 . . 1 . 212 1 A 10 GLY N . 30032 1 76 . 1 1 11 11 ASP H H 1 8.197 0.005 . 1 . 54 1 A 11 ASP H . 30032 1 77 . 1 1 11 11 ASP HA H 1 4.189 0.008 . 1 . 55 1 A 11 ASP HA . 30032 1 78 . 1 1 11 11 ASP HB2 H 1 2.062 0.008 . 2 . 56 1 A 11 ASP HB2 . 30032 1 79 . 1 1 11 11 ASP HB3 H 1 1.901 0.01 . 2 . 57 1 A 11 ASP HB3 . 30032 1 80 . 1 1 11 11 ASP CA C 13 55.887 . . 1 . 129 1 A 11 ASP CA . 30032 1 81 . 1 1 11 11 ASP CB C 13 40.842 0.052 . 1 . 166 1 A 11 ASP CB . 30032 1 82 . 1 1 11 11 ASP N N 15 124.473 . . 1 . 195 1 A 11 ASP N . 30032 1 83 . 1 1 12 12 LYS H H 1 7.593 0.003 . 1 . 36 1 A 12 LYS H . 30032 1 84 . 1 1 12 12 LYS HA H 1 4.746 0.005 . 1 . 35 1 A 12 LYS HA . 30032 1 85 . 1 1 12 12 LYS HB2 H 1 1.431 0.012 . 2 . 188 1 A 12 LYS HB2 . 30032 1 86 . 1 1 12 12 LYS HB3 H 1 1.369 . . 2 . 190 1 A 12 LYS HB3 . 30032 1 87 . 1 1 12 12 LYS HG2 H 1 1.119 0.008 . 1 . 42 1 A 12 LYS HG2 . 30032 1 88 . 1 1 12 12 LYS HG3 H 1 1.119 0.008 . 1 . 41 1 A 12 LYS HG3 . 30032 1 89 . 1 1 12 12 LYS HD2 H 1 1.342 0.01 . 2 . 39 1 A 12 LYS HD2 . 30032 1 90 . 1 1 12 12 LYS HD3 H 1 1.378 0.051 . 2 . 40 1 A 12 LYS HD3 . 30032 1 91 . 1 1 12 12 LYS HE2 H 1 2.776 0.006 . 1 . 37 1 A 12 LYS HE2 . 30032 1 92 . 1 1 12 12 LYS HE3 H 1 2.776 0.006 . 1 . 38 1 A 12 LYS HE3 . 30032 1 93 . 1 1 12 12 LYS CB C 13 35.706 0.004 . 1 . 189 1 A 12 LYS CB . 30032 1 94 . 1 1 12 12 LYS CG C 13 24.976 . . 1 . 148 1 A 12 LYS CG . 30032 1 95 . 1 1 12 12 LYS CD C 13 29.054 0.001 . 1 . 191 1 A 12 LYS CD . 30032 1 96 . 1 1 12 12 LYS CE C 13 42.125 . . 1 . 152 1 A 12 LYS CE . 30032 1 97 . 1 1 12 12 LYS N N 15 117.086 . . 1 . 207 1 A 12 LYS N . 30032 1 98 . 1 1 13 13 PHE H H 1 8.540 0.005 . 1 . 24 1 A 13 PHE H . 30032 1 99 . 1 1 13 13 PHE HA H 1 4.496 0.007 . 1 . 25 1 A 13 PHE HA . 30032 1 100 . 1 1 13 13 PHE HB2 H 1 3.249 0.007 . 2 . 26 1 A 13 PHE HB2 . 30032 1 101 . 1 1 13 13 PHE HB3 H 1 2.534 0.004 . 2 . 27 1 A 13 PHE HB3 . 30032 1 102 . 1 1 13 13 PHE HD1 H 1 7.007 0.005 . 1 . 101 1 A 13 PHE HD1 . 30032 1 103 . 1 1 13 13 PHE HD2 H 1 7.007 0.005 . 1 . 101 1 A 13 PHE HD2 . 30032 1 104 . 1 1 13 13 PHE HE1 H 1 6.639 0.006 . 1 . 102 1 A 13 PHE HE1 . 30032 1 105 . 1 1 13 13 PHE HE2 H 1 6.639 0.006 . 1 . 102 1 A 13 PHE HE2 . 30032 1 106 . 1 1 13 13 PHE HZ H 1 6.228 0.009 . 1 . 103 1 A 13 PHE HZ . 30032 1 107 . 1 1 13 13 PHE CB C 13 43.526 . . 1 . 185 1 A 13 PHE CB . 30032 1 108 . 1 1 13 13 PHE CD1 C 13 131.945 . . 1 . 169 1 A 13 PHE CD1 . 30032 1 109 . 1 1 13 13 PHE CD2 C 13 131.945 . . 1 . 169 1 A 13 PHE CD2 . 30032 1 110 . 1 1 13 13 PHE CE1 C 13 130.681 . . 1 . 170 1 A 13 PHE CE1 . 30032 1 111 . 1 1 13 13 PHE CE2 C 13 130.681 . . 1 . 170 1 A 13 PHE CE2 . 30032 1 112 . 1 1 13 13 PHE CZ C 13 129.305 . . 1 . 171 1 A 13 PHE CZ . 30032 1 113 . 1 1 13 13 PHE N N 15 118.038 . . 1 . 202 1 A 13 PHE N . 30032 1 114 . 1 1 14 14 LEU H H 1 8.013 0.009 . 1 . 91 1 A 14 LEU H . 30032 1 115 . 1 1 14 14 LEU HA H 1 4.125 0.009 . 1 . 92 1 A 14 LEU HA . 30032 1 116 . 1 1 14 14 LEU HB2 H 1 2.012 0.003 . 2 . 94 1 A 14 LEU HB2 . 30032 1 117 . 1 1 14 14 LEU HB3 H 1 1.861 0.007 . 2 . 95 1 A 14 LEU HB3 . 30032 1 118 . 1 1 14 14 LEU HG H 1 2.258 0.005 . 1 . 93 1 A 14 LEU HG . 30032 1 119 . 1 1 14 14 LEU CA C 13 55.718 . . 1 . 122 1 A 14 LEU CA . 30032 1 120 . 1 1 14 14 LEU CB C 13 29.206 0.194 . 1 . 180 1 A 14 LEU CB . 30032 1 121 . 1 1 14 14 LEU CG C 13 18.506 . . 1 . 149 1 A 14 LEU CG . 30032 1 122 . 1 1 15 15 ASP H H 1 8.895 0.003 . 1 . 88 1 A 15 ASP H . 30032 1 123 . 1 1 15 15 ASP HA H 1 4.264 0.004 . 1 . 70 1 A 15 ASP HA . 30032 1 124 . 1 1 15 15 ASP HB2 H 1 3.003 0.009 . 2 . 89 1 A 15 ASP HB2 . 30032 1 125 . 1 1 15 15 ASP HB3 H 1 2.887 0.007 . 2 . 90 1 A 15 ASP HB3 . 30032 1 126 . 1 1 15 15 ASP CA C 13 56.098 . . 1 . 184 1 A 15 ASP CA . 30032 1 127 . 1 1 15 15 ASP N N 15 116.928 . . 1 . 203 1 A 15 ASP N . 30032 1 128 . 1 1 16 16 ALA H H 1 8.029 0.004 . 1 . 86 1 A 16 ALA H . 30032 1 129 . 1 1 16 16 ALA HA H 1 3.152 0.006 . 1 . 85 1 A 16 ALA HA . 30032 1 130 . 1 1 16 16 ALA HB1 H 1 0.994 0.005 . 1 . 87 1 A 16 ALA HB1 . 30032 1 131 . 1 1 16 16 ALA HB2 H 1 0.994 0.005 . 1 . 87 1 A 16 ALA HB2 . 30032 1 132 . 1 1 16 16 ALA HB3 H 1 0.994 0.005 . 1 . 87 1 A 16 ALA HB3 . 30032 1 133 . 1 1 16 16 ALA CA C 13 54.332 . . 1 . 134 1 A 16 ALA CA . 30032 1 134 . 1 1 16 16 ALA CB C 13 18.288 . . 1 . 145 1 A 16 ALA CB . 30032 1 135 . 1 1 17 17 ASN H H 1 8.354 0.001 . 1 . 97 1 A 17 ASN H . 30032 1 136 . 1 1 17 17 ASN HA H 1 4.240 0.009 . 1 . 96 1 A 17 ASN HA . 30032 1 137 . 1 1 17 17 ASN HB2 H 1 2.575 0.012 . 2 . 98 1 A 17 ASN HB2 . 30032 1 138 . 1 1 17 17 ASN HB3 H 1 2.634 0.008 . 2 . 99 1 A 17 ASN HB3 . 30032 1 139 . 1 1 17 17 ASN CB C 13 38.024 0.019 . 1 . 153 1 A 17 ASN CB . 30032 1 140 . 1 1 17 17 ASN N N 15 119.199 . . 1 . 200 1 A 17 ASN N . 30032 1 141 . 1 1 18 18 SER H H 1 8.603 0.005 . 1 . 9 1 A 18 SER H . 30032 1 142 . 1 1 18 18 SER HA H 1 3.917 0.005 . 1 . 10 1 A 18 SER HA . 30032 1 143 . 1 1 18 18 SER HB2 H 1 3.790 0.006 . 1 . 12 1 A 18 SER HB2 . 30032 1 144 . 1 1 18 18 SER HB3 H 1 3.790 0.006 . 1 . 11 1 A 18 SER HB3 . 30032 1 145 . 1 1 18 18 SER CA C 13 61.878 . . 1 . 158 1 A 18 SER CA . 30032 1 146 . 1 1 18 18 SER N N 15 118.422 . . 1 . 201 1 A 18 SER N . 30032 1 147 . 1 1 19 19 LEU H H 1 6.794 0.004 . 1 . 71 1 A 19 LEU H . 30032 1 148 . 1 1 19 19 LEU HA H 1 3.069 0.007 . 1 . 80 1 A 19 LEU HA . 30032 1 149 . 1 1 19 19 LEU HB2 H 1 1.448 0.009 . 2 . 79 1 A 19 LEU HB2 . 30032 1 150 . 1 1 19 19 LEU HB3 H 1 1.626 0.005 . 2 . 81 1 A 19 LEU HB3 . 30032 1 151 . 1 1 19 19 LEU HG H 1 1.105 0.003 . 1 . 82 1 A 19 LEU HG . 30032 1 152 . 1 1 19 19 LEU HD11 H 1 0.734 0.003 . 2 . 83 1 A 19 LEU HD11 . 30032 1 153 . 1 1 19 19 LEU HD12 H 1 0.734 0.003 . 2 . 83 1 A 19 LEU HD12 . 30032 1 154 . 1 1 19 19 LEU HD13 H 1 0.734 0.003 . 2 . 83 1 A 19 LEU HD13 . 30032 1 155 . 1 1 19 19 LEU HD21 H 1 0.859 0.004 . 2 . 84 1 A 19 LEU HD21 . 30032 1 156 . 1 1 19 19 LEU HD22 H 1 0.859 0.004 . 2 . 84 1 A 19 LEU HD22 . 30032 1 157 . 1 1 19 19 LEU HD23 H 1 0.859 0.004 . 2 . 84 1 A 19 LEU HD23 . 30032 1 158 . 1 1 19 19 LEU CA C 13 57.822 . . 1 . 133 1 A 19 LEU CA . 30032 1 159 . 1 1 19 19 LEU N N 15 122.785 . . 1 . 194 1 A 19 LEU N . 30032 1 160 . 1 1 20 20 ALA H H 1 7.735 0.006 . 1 . 33 1 A 20 ALA H . 30032 1 161 . 1 1 20 20 ALA HA H 1 3.911 0.005 . 1 . 32 1 A 20 ALA HA . 30032 1 162 . 1 1 20 20 ALA HB1 H 1 1.297 0.006 . 1 . 34 1 A 20 ALA HB1 . 30032 1 163 . 1 1 20 20 ALA HB2 H 1 1.297 0.006 . 1 . 34 1 A 20 ALA HB2 . 30032 1 164 . 1 1 20 20 ALA HB3 H 1 1.297 0.006 . 1 . 34 1 A 20 ALA HB3 . 30032 1 165 . 1 1 20 20 ALA CA C 13 54.952 . . 1 . 157 1 A 20 ALA CA . 30032 1 166 . 1 1 20 20 ALA CB C 13 17.838 . . 1 . 150 1 A 20 ALA CB . 30032 1 167 . 1 1 20 20 ALA N N 15 120.848 . . 1 . 198 1 A 20 ALA N . 30032 1 168 . 1 1 21 21 GLN H H 1 7.634 0.004 . 1 . 45 1 A 21 GLN H . 30032 1 169 . 1 1 21 21 GLN HA H 1 3.796 0.006 . 1 . 46 1 A 21 GLN HA . 30032 1 170 . 1 1 21 21 GLN HB2 H 1 2.252 0.006 . 1 . 49 1 A 21 GLN HB2 . 30032 1 171 . 1 1 21 21 GLN HB3 H 1 2.252 0.006 . 1 . 50 1 A 21 GLN HB3 . 30032 1 172 . 1 1 21 21 GLN HG2 H 1 1.895 0.006 . 2 . 51 1 A 21 GLN HG2 . 30032 1 173 . 1 1 21 21 GLN HG3 H 1 1.857 0.003 . 2 . 52 1 A 21 GLN HG3 . 30032 1 174 . 1 1 21 21 GLN HE21 H 1 7.611 0.003 . 1 . 256 1 A 21 GLN HE21 . 30032 1 175 . 1 1 21 21 GLN HE22 H 1 6.788 0.003 . 1 . 257 1 A 21 GLN HE22 . 30032 1 176 . 1 1 21 21 GLN CA C 13 58.007 . . 1 . 131 1 A 21 GLN CA . 30032 1 177 . 1 1 21 21 GLN CB C 13 31.363 . . 1 . 161 1 A 21 GLN CB . 30032 1 178 . 1 1 21 21 GLN N N 15 115.159 . . 1 . 209 1 A 21 GLN N . 30032 1 179 . 1 1 21 21 GLN NE2 N 15 113.881 0.022 . 1 . 258 1 A 21 GLN NE2 . 30032 1 180 . 1 1 22 22 HIS H H 1 7.293 0.004 . 1 . 29 1 A 22 HIS H . 30032 1 181 . 1 1 22 22 HIS HA H 1 4.035 0.009 . 1 . 28 1 A 22 HIS HA . 30032 1 182 . 1 1 22 22 HIS HB2 H 1 2.918 0.01 . 2 . 30 1 A 22 HIS HB2 . 30032 1 183 . 1 1 22 22 HIS HB3 H 1 2.600 0.009 . 2 . 31 1 A 22 HIS HB3 . 30032 1 184 . 1 1 22 22 HIS HD2 H 1 6.798 0.006 . 1 . 58 1 A 22 HIS HD2 . 30032 1 185 . 1 1 22 22 HIS HE1 H 1 7.901 0.006 . 1 . 193 1 A 22 HIS HE1 . 30032 1 186 . 1 1 22 22 HIS CA C 13 59.487 . . 1 . 159 1 A 22 HIS CA . 30032 1 187 . 1 1 22 22 HIS CB C 13 28.542 0.005 . 1 . 186 1 A 22 HIS CB . 30032 1 188 . 1 1 22 22 HIS CD2 C 13 126.951 . . 1 . 168 1 A 22 HIS CD2 . 30032 1 189 . 1 1 22 22 HIS N N 15 119.329 . . 1 . 204 1 A 22 HIS N . 30032 1 190 . 1 1 23 23 VAL H H 1 8.246 0.004 . 1 . 2 1 A 23 VAL H . 30032 1 191 . 1 1 23 23 VAL HA H 1 3.467 0.007 . 1 . 1 1 A 23 VAL HA . 30032 1 192 . 1 1 23 23 VAL HB H 1 2.225 0.006 . 1 . 3 1 A 23 VAL HB . 30032 1 193 . 1 1 23 23 VAL HG11 H 1 1.168 0.005 . 2 . 4 1 A 23 VAL HG11 . 30032 1 194 . 1 1 23 23 VAL HG12 H 1 1.168 0.005 . 2 . 4 1 A 23 VAL HG12 . 30032 1 195 . 1 1 23 23 VAL HG13 H 1 1.168 0.005 . 2 . 4 1 A 23 VAL HG13 . 30032 1 196 . 1 1 23 23 VAL HG21 H 1 1.061 0.008 . 2 . 5 1 A 23 VAL HG21 . 30032 1 197 . 1 1 23 23 VAL HG22 H 1 1.061 0.008 . 2 . 5 1 A 23 VAL HG22 . 30032 1 198 . 1 1 23 23 VAL HG23 H 1 1.061 0.008 . 2 . 5 1 A 23 VAL HG23 . 30032 1 199 . 1 1 23 23 VAL CA C 13 65.937 . . 1 . 132 1 A 23 VAL CA . 30032 1 200 . 1 1 23 23 VAL CG1 C 13 21.886 . . 1 . 147 1 A 23 VAL CG1 . 30032 1 201 . 1 1 23 23 VAL N N 15 113.369 . . 1 . 211 1 A 23 VAL N . 30032 1 202 . 1 1 24 24 ARG H H 1 6.829 0.006 . 1 . 53 1 A 24 ARG H . 30032 1 203 . 1 1 24 24 ARG HA H 1 3.931 0.007 . 1 . 72 1 A 24 ARG HA . 30032 1 204 . 1 1 24 24 ARG HB2 H 1 1.710 0.017 . 2 . 75 1 A 24 ARG HB2 . 30032 1 205 . 1 1 24 24 ARG HB3 H 1 1.638 0.011 . 2 . 76 1 A 24 ARG HB3 . 30032 1 206 . 1 1 24 24 ARG HG2 H 1 1.498 0.006 . 1 . 78 1 A 24 ARG HG2 . 30032 1 207 . 1 1 24 24 ARG HG3 H 1 1.498 0.006 . 1 . 77 1 A 24 ARG HG3 . 30032 1 208 . 1 1 24 24 ARG HD2 H 1 3.057 0.006 . 1 . 73 1 A 24 ARG HD2 . 30032 1 209 . 1 1 24 24 ARG HD3 H 1 3.057 0.006 . 1 . 74 1 A 24 ARG HD3 . 30032 1 210 . 1 1 24 24 ARG CA C 13 58.532 . . 1 . 156 1 A 24 ARG CA . 30032 1 211 . 1 1 24 24 ARG CB C 13 30.043 0.045 . 1 . 155 1 A 24 ARG CB . 30032 1 212 . 1 1 24 24 ARG CG C 13 27.312 . . 1 . 174 1 A 24 ARG CG . 30032 1 213 . 1 1 24 24 ARG CD C 13 43.396 . . 1 . 151 1 A 24 ARG CD . 30032 1 214 . 1 1 24 24 ARG N N 15 118.587 . . 1 . 205 1 A 24 ARG N . 30032 1 215 . 1 1 25 25 ILE H H 1 7.688 0.005 . 1 . 61 1 A 25 ILE H . 30032 1 216 . 1 1 25 25 ILE HA H 1 3.799 0.011 . 1 . 62 1 A 25 ILE HA . 30032 1 217 . 1 1 25 25 ILE HB H 1 1.562 0.006 . 1 . 63 1 A 25 ILE HB . 30032 1 218 . 1 1 25 25 ILE HG12 H 1 0.768 0.004 . 2 . 139 1 A 25 ILE HG12 . 30032 1 219 . 1 1 25 25 ILE HG13 H 1 0.621 0.008 . 2 . 140 1 A 25 ILE HG13 . 30032 1 220 . 1 1 25 25 ILE HG21 H 1 0.445 0.008 . 1 . 65 1 A 25 ILE HG21 . 30032 1 221 . 1 1 25 25 ILE HG22 H 1 0.445 0.008 . 1 . 65 1 A 25 ILE HG22 . 30032 1 222 . 1 1 25 25 ILE HG23 H 1 0.445 0.008 . 1 . 65 1 A 25 ILE HG23 . 30032 1 223 . 1 1 25 25 ILE HD11 H 1 0.534 0.008 . 1 . 64 1 A 25 ILE HD11 . 30032 1 224 . 1 1 25 25 ILE HD12 H 1 0.534 0.008 . 1 . 64 1 A 25 ILE HD12 . 30032 1 225 . 1 1 25 25 ILE HD13 H 1 0.534 0.008 . 1 . 64 1 A 25 ILE HD13 . 30032 1 226 . 1 1 25 25 ILE CA C 13 62.615 . . 1 . 130 1 A 25 ILE CA . 30032 1 227 . 1 1 25 25 ILE CB C 13 37.691 . . 1 . 162 1 A 25 ILE CB . 30032 1 228 . 1 1 25 25 ILE CG1 C 13 24.701 . . 1 . 141 1 A 25 ILE CG1 . 30032 1 229 . 1 1 25 25 ILE CG2 C 13 16.422 . . 1 . 276 1 A 25 ILE CG2 . 30032 1 230 . 1 1 25 25 ILE CD1 C 13 14.075 . . 1 . 137 1 A 25 ILE CD1 . 30032 1 231 . 1 1 25 25 ILE N N 15 116.323 . . 1 . 208 1 A 25 ILE N . 30032 1 232 . 1 1 26 26 HIS H H 1 7.164 0.003 . 1 . 59 1 A 26 HIS H . 30032 1 233 . 1 1 26 26 HIS HB2 H 1 3.145 0.012 . 2 . 44 1 A 26 HIS HB2 . 30032 1 234 . 1 1 26 26 HIS HB3 H 1 3.123 0.007 . 2 . 60 1 A 26 HIS HB3 . 30032 1 235 . 1 1 26 26 HIS HD2 H 1 6.638 0.007 . 1 . 43 1 A 26 HIS HD2 . 30032 1 236 . 1 1 26 26 HIS HE1 H 1 7.872 0.008 . 1 . 100 1 A 26 HIS HE1 . 30032 1 237 . 1 1 26 26 HIS CB C 13 28.338 . . 1 . 187 1 A 26 HIS CB . 30032 1 238 . 1 1 26 26 HIS CD2 C 13 127.417 . . 1 . 167 1 A 26 HIS CD2 . 30032 1 239 . 1 1 26 26 HIS N N 15 117.565 . . 1 . 206 1 A 26 HIS N . 30032 1 240 . 1 1 27 27 THR H H 1 7.625 0.002 . 1 . 124 1 A 27 THR H . 30032 1 241 . 1 1 27 27 THR HA H 1 4.152 0.007 . 1 . 123 1 A 27 THR HA . 30032 1 242 . 1 1 27 27 THR HB H 1 4.127 0.006 . 1 . 126 1 A 27 THR HB . 30032 1 243 . 1 1 27 27 THR HG21 H 1 1.083 0.005 . 1 . 125 1 A 27 THR HG21 . 30032 1 244 . 1 1 27 27 THR HG22 H 1 1.083 0.005 . 1 . 125 1 A 27 THR HG22 . 30032 1 245 . 1 1 27 27 THR HG23 H 1 1.083 0.005 . 1 . 125 1 A 27 THR HG23 . 30032 1 246 . 1 1 27 27 THR CA C 13 62.452 . . 1 . 160 1 A 27 THR CA . 30032 1 247 . 1 1 27 27 THR CB C 13 69.619 . . 1 . 127 1 A 27 THR CB . 30032 1 248 . 1 1 27 27 THR CG2 C 13 21.492 . . 1 . 146 1 A 27 THR CG2 . 30032 1 249 . 1 1 27 27 THR N N 15 113.024 . . 1 . 210 1 A 27 THR N . 30032 1 250 . 1 1 28 28 ALA H H 1 8.014 0.003 . 1 . 181 1 A 28 ALA H . 30032 1 251 . 1 1 28 28 ALA HA H 1 4.158 0.009 . 1 . 176 1 A 28 ALA HA . 30032 1 252 . 1 1 28 28 ALA HB1 H 1 1.272 0.007 . 1 . 177 1 A 28 ALA HB1 . 30032 1 253 . 1 1 28 28 ALA HB2 H 1 1.272 0.007 . 1 . 177 1 A 28 ALA HB2 . 30032 1 254 . 1 1 28 28 ALA HB3 H 1 1.272 0.007 . 1 . 177 1 A 28 ALA HB3 . 30032 1 255 . 1 1 28 28 ALA CA C 13 52.854 . . 1 . 179 1 A 28 ALA CA . 30032 1 256 . 1 1 28 28 ALA CB C 13 18.695 . . 1 . 178 1 A 28 ALA CB . 30032 1 257 . 1 1 29 29 GLN H H 1 7.311 0.007 . 1 . 267 1 A 29 GLN H . 30032 1 258 . 1 1 29 29 GLN HA H 1 4.352 0.012 . 1 . 268 1 A 29 GLN HA . 30032 1 259 . 1 1 29 29 GLN HB2 H 1 2.566 0.003 . 1 . 272 1 A 29 GLN HB2 . 30032 1 260 . 1 1 29 29 GLN HB3 H 1 2.565 0.003 . 1 . 271 1 A 29 GLN HB3 . 30032 1 261 . 1 1 29 29 GLN HG2 H 1 2.643 0.012 . 1 . 269 1 A 29 GLN HG2 . 30032 1 262 . 1 1 29 29 GLN HG3 H 1 2.643 0.012 . 1 . 270 1 A 29 GLN HG3 . 30032 1 263 . 1 1 29 29 GLN CB C 13 43.649 . . 1 . 278 1 A 29 GLN CB . 30032 1 264 . 1 1 29 29 GLN CG C 13 43.555 . . 1 . 277 1 A 29 GLN CG . 30032 1 265 . 1 1 29 29 GLN N N 15 113.145 . . 1 . 280 1 A 29 GLN N . 30032 1 stop_ save_