################################### # 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 34130 _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 COSY' . . . 34130 1 2 '2D 1H-1H TOCSY' . . . 34130 1 3 '2D 1H-1H NOESY' . . . 34130 1 4 '2D 1H-13C HSQC aliphatic' . . . 34130 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.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 GLY HA2 H 1 4.097 0.003 . 2 . . . . A 1 GLY HA2 . 34130 1 2 . 1 1 1 1 GLY HA3 H 1 4.097 0.003 . 2 . . . . A 1 GLY HA3 . 34130 1 3 . 1 1 2 2 ILE H H 1 9.532 0.002 . 1 . . . . A 2 ILE H . 34130 1 4 . 1 1 2 2 ILE HA H 1 3.912 0.003 . 1 . . . . A 2 ILE HA . 34130 1 5 . 1 1 2 2 ILE HB H 1 1.899 0.002 . 1 . . . . A 2 ILE HB . 34130 1 6 . 1 1 2 2 ILE HG12 H 1 1.305 0.003 . 2 . . . . A 2 ILE HG12 . 34130 1 7 . 1 1 2 2 ILE HG13 H 1 1.584 0.003 . 2 . . . . A 2 ILE HG13 . 34130 1 8 . 1 1 2 2 ILE HG21 H 1 0.948 0.003 . 1 . . . . A 2 ILE HG21 . 34130 1 9 . 1 1 2 2 ILE HG22 H 1 0.948 0.003 . 1 . . . . A 2 ILE HG22 . 34130 1 10 . 1 1 2 2 ILE HG23 H 1 0.948 0.003 . 1 . . . . A 2 ILE HG23 . 34130 1 11 . 1 1 2 2 ILE HD11 H 1 0.916 0.003 . 1 . . . . A 2 ILE HD11 . 34130 1 12 . 1 1 2 2 ILE HD12 H 1 0.916 0.003 . 1 . . . . A 2 ILE HD12 . 34130 1 13 . 1 1 2 2 ILE HD13 H 1 0.916 0.003 . 1 . . . . A 2 ILE HD13 . 34130 1 14 . 1 1 2 2 ILE CA C 13 64.161 0.000 . 1 . . . . A 2 ILE CA . 34130 1 15 . 1 1 2 2 ILE CB C 13 38.354 0.000 . 1 . . . . A 2 ILE CB . 34130 1 16 . 1 1 2 2 ILE CG2 C 13 18.309 0.000 . 1 . . . . A 2 ILE CG2 . 34130 1 17 . 1 1 2 2 ILE CD1 C 13 13.979 0.000 . 1 . . . . A 2 ILE CD1 . 34130 1 18 . 1 1 3 3 GLY H H 1 9.263 0.002 . 1 . . . . A 3 GLY H . 34130 1 19 . 1 1 3 3 GLY HA2 H 1 3.686 0.004 . 2 . . . . A 3 GLY HA2 . 34130 1 20 . 1 1 3 3 GLY HA3 H 1 3.860 0.008 . 2 . . . . A 3 GLY HA3 . 34130 1 21 . 1 1 4 4 ALA H H 1 8.279 0.001 . 1 . . . . A 4 ALA H . 34130 1 22 . 1 1 4 4 ALA HA H 1 4.091 0.002 . 1 . . . . A 4 ALA HA . 34130 1 23 . 1 1 4 4 ALA HB1 H 1 1.499 0.002 . 1 . . . . A 4 ALA HB1 . 34130 1 24 . 1 1 4 4 ALA HB2 H 1 1.499 0.002 . 1 . . . . A 4 ALA HB2 . 34130 1 25 . 1 1 4 4 ALA HB3 H 1 1.499 0.002 . 1 . . . . A 4 ALA HB3 . 34130 1 26 . 1 1 4 4 ALA CB C 13 18.627 0.000 . 1 . . . . A 4 ALA CB . 34130 1 27 . 1 1 5 5 LEU H H 1 7.876 0.003 . 1 . . . . A 5 LEU H . 34130 1 28 . 1 1 5 5 LEU HA H 1 4.112 0.005 . 1 . . . . A 5 LEU HA . 34130 1 29 . 1 1 5 5 LEU HB2 H 1 1.613 0.005 . 2 . . . . A 5 LEU HB2 . 34130 1 30 . 1 1 5 5 LEU HB3 H 1 1.870 0.004 . 2 . . . . A 5 LEU HB3 . 34130 1 31 . 1 1 5 5 LEU HG H 1 1.696 0.002 . 1 . . . . A 5 LEU HG . 34130 1 32 . 1 1 5 5 LEU HD11 H 1 0.905 0.005 . 2 . . . . A 5 LEU HD11 . 34130 1 33 . 1 1 5 5 LEU HD12 H 1 0.905 0.005 . 2 . . . . A 5 LEU HD12 . 34130 1 34 . 1 1 5 5 LEU HD13 H 1 0.905 0.005 . 2 . . . . A 5 LEU HD13 . 34130 1 35 . 1 1 5 5 LEU HD21 H 1 0.905 0.005 . 2 . . . . A 5 LEU HD21 . 34130 1 36 . 1 1 5 5 LEU HD22 H 1 0.905 0.005 . 2 . . . . A 5 LEU HD22 . 34130 1 37 . 1 1 5 5 LEU HD23 H 1 0.905 0.005 . 2 . . . . A 5 LEU HD23 . 34130 1 38 . 1 1 5 5 LEU CA C 13 58.027 0.000 . 1 . . . . A 5 LEU CA . 34130 1 39 . 1 1 5 5 LEU CB C 13 42.355 0.014 . 1 . . . . A 5 LEU CB . 34130 1 40 . 1 1 6 6 PHE H H 1 8.384 0.003 . 1 . . . . A 6 PHE H . 34130 1 41 . 1 1 6 6 PHE HA H 1 4.308 0.005 . 1 . . . . A 6 PHE HA . 34130 1 42 . 1 1 6 6 PHE HB2 H 1 3.223 0.004 . 2 . . . . A 6 PHE HB2 . 34130 1 43 . 1 1 6 6 PHE HB3 H 1 3.223 0.004 . 2 . . . . A 6 PHE HB3 . 34130 1 44 . 1 1 6 6 PHE HD1 H 1 7.175 0.002 . 1 . . . . A 6 PHE HD1 . 34130 1 45 . 1 1 6 6 PHE HD2 H 1 7.175 0.002 . 1 . . . . A 6 PHE HD2 . 34130 1 46 . 1 1 6 6 PHE HE1 H 1 7.139 0.001 . 1 . . . . A 6 PHE HE1 . 34130 1 47 . 1 1 6 6 PHE HE2 H 1 7.139 0.001 . 1 . . . . A 6 PHE HE2 . 34130 1 48 . 1 1 6 6 PHE HZ H 1 7.081 0.002 . 1 . . . . A 6 PHE HZ . 34130 1 49 . 1 1 6 6 PHE CA C 13 61.294 0.000 . 1 . . . . A 6 PHE CA . 34130 1 50 . 1 1 6 6 PHE CB C 13 39.501 0.000 . 1 . . . . A 6 PHE CB . 34130 1 51 . 1 1 7 7 LEU H H 1 8.478 0.003 . 1 . . . . A 7 LEU H . 34130 1 52 . 1 1 7 7 LEU HA H 1 3.953 0.004 . 1 . . . . A 7 LEU HA . 34130 1 53 . 1 1 7 7 LEU HB2 H 1 1.555 0.002 . 2 . . . . A 7 LEU HB2 . 34130 1 54 . 1 1 7 7 LEU HB3 H 1 1.873 0.007 . 2 . . . . A 7 LEU HB3 . 34130 1 55 . 1 1 7 7 LEU HG H 1 1.903 0.007 . 1 . . . . A 7 LEU HG . 34130 1 56 . 1 1 7 7 LEU HD11 H 1 0.893 0.001 . 2 . . . . A 7 LEU HD11 . 34130 1 57 . 1 1 7 7 LEU HD12 H 1 0.893 0.001 . 2 . . . . A 7 LEU HD12 . 34130 1 58 . 1 1 7 7 LEU HD13 H 1 0.893 0.001 . 2 . . . . A 7 LEU HD13 . 34130 1 59 . 1 1 7 7 LEU HD21 H 1 0.929 0.007 . 2 . . . . A 7 LEU HD21 . 34130 1 60 . 1 1 7 7 LEU HD22 H 1 0.929 0.007 . 2 . . . . A 7 LEU HD22 . 34130 1 61 . 1 1 7 7 LEU HD23 H 1 0.929 0.007 . 2 . . . . A 7 LEU HD23 . 34130 1 62 . 1 1 7 7 LEU CA C 13 58.318 0.000 . 1 . . . . A 7 LEU CA . 34130 1 63 . 1 1 7 7 LEU CB C 13 42.468 0.011 . 1 . . . . A 7 LEU CB . 34130 1 64 . 1 1 8 8 GLY H H 1 8.209 0.002 . 1 . . . . A 8 GLY H . 34130 1 65 . 1 1 8 8 GLY HA2 H 1 3.939 0.001 . 2 . . . . A 8 GLY HA2 . 34130 1 66 . 1 1 8 8 GLY HA3 H 1 3.939 0.001 . 2 . . . . A 8 GLY HA3 . 34130 1 67 . 1 1 9 9 PHE H H 1 7.985 0.003 . 1 . . . . A 9 PHE H . 34130 1 68 . 1 1 9 9 PHE HA H 1 4.409 0.003 . 1 . . . . A 9 PHE HA . 34130 1 69 . 1 1 9 9 PHE HB2 H 1 3.211 0.006 . 2 . . . . A 9 PHE HB2 . 34130 1 70 . 1 1 9 9 PHE HB3 H 1 3.211 0.006 . 2 . . . . A 9 PHE HB3 . 34130 1 71 . 1 1 9 9 PHE HD1 H 1 7.177 0.001 . 1 . . . . A 9 PHE HD1 . 34130 1 72 . 1 1 9 9 PHE HD2 H 1 7.177 0.001 . 1 . . . . A 9 PHE HD2 . 34130 1 73 . 1 1 9 9 PHE HE1 H 1 7.139 0.000 . 1 . . . . A 9 PHE HE1 . 34130 1 74 . 1 1 9 9 PHE HE2 H 1 7.139 0.000 . 1 . . . . A 9 PHE HE2 . 34130 1 75 . 1 1 9 9 PHE CB C 13 39.530 0.000 . 1 . . . . A 9 PHE CB . 34130 1 76 . 1 1 10 10 LEU H H 1 7.985 0.002 . 1 . . . . A 10 LEU H . 34130 1 77 . 1 1 10 10 LEU HA H 1 3.880 0.005 . 1 . . . . A 10 LEU HA . 34130 1 78 . 1 1 10 10 LEU HB2 H 1 1.474 0.006 . 2 . . . . A 10 LEU HB2 . 34130 1 79 . 1 1 10 10 LEU HB3 H 1 1.694 0.004 . 2 . . . . A 10 LEU HB3 . 34130 1 80 . 1 1 10 10 LEU HG H 1 1.660 0.005 . 1 . . . . A 10 LEU HG . 34130 1 81 . 1 1 10 10 LEU HD11 H 1 0.753 0.005 . 2 . . . . A 10 LEU HD11 . 34130 1 82 . 1 1 10 10 LEU HD12 H 1 0.753 0.005 . 2 . . . . A 10 LEU HD12 . 34130 1 83 . 1 1 10 10 LEU HD13 H 1 0.753 0.005 . 2 . . . . A 10 LEU HD13 . 34130 1 84 . 1 1 10 10 LEU HD21 H 1 0.777 0.005 . 2 . . . . A 10 LEU HD21 . 34130 1 85 . 1 1 10 10 LEU HD22 H 1 0.777 0.005 . 2 . . . . A 10 LEU HD22 . 34130 1 86 . 1 1 10 10 LEU HD23 H 1 0.777 0.005 . 2 . . . . A 10 LEU HD23 . 34130 1 87 . 1 1 10 10 LEU CB C 13 42.284 0.010 . 1 . . . . A 10 LEU CB . 34130 1 88 . 1 1 10 10 LEU CD1 C 13 25.856 0.000 . 1 . . . . A 10 LEU CD1 . 34130 1 89 . 1 1 10 10 LEU CD2 C 13 23.724 0.000 . 1 . . . . A 10 LEU CD2 . 34130 1 90 . 1 1 11 11 GLY H H 1 8.065 0.000 . 1 . . . . A 11 GLY H . 34130 1 91 . 1 1 11 11 GLY HA2 H 1 3.865 0.001 . 2 . . . . A 11 GLY HA2 . 34130 1 92 . 1 1 11 11 GLY HA3 H 1 3.902 0.001 . 2 . . . . A 11 GLY HA3 . 34130 1 93 . 1 1 12 12 ALA H H 1 7.872 0.001 . 1 . . . . A 12 ALA H . 34130 1 94 . 1 1 12 12 ALA HA H 1 4.265 0.002 . 1 . . . . A 12 ALA HA . 34130 1 95 . 1 1 12 12 ALA HB1 H 1 1.418 0.002 . 1 . . . . A 12 ALA HB1 . 34130 1 96 . 1 1 12 12 ALA HB2 H 1 1.418 0.002 . 1 . . . . A 12 ALA HB2 . 34130 1 97 . 1 1 12 12 ALA HB3 H 1 1.418 0.002 . 1 . . . . A 12 ALA HB3 . 34130 1 98 . 1 1 12 12 ALA CA C 13 53.665 0.000 . 1 . . . . A 12 ALA CA . 34130 1 99 . 1 1 12 12 ALA CB C 13 19.263 0.000 . 1 . . . . A 12 ALA CB . 34130 1 100 . 1 1 13 13 ALA H H 1 8.122 0.002 . 1 . . . . A 13 ALA H . 34130 1 101 . 1 1 13 13 ALA HA H 1 4.132 0.002 . 1 . . . . A 13 ALA HA . 34130 1 102 . 1 1 13 13 ALA HB1 H 1 1.298 0.001 . 1 . . . . A 13 ALA HB1 . 34130 1 103 . 1 1 13 13 ALA HB2 H 1 1.298 0.001 . 1 . . . . A 13 ALA HB2 . 34130 1 104 . 1 1 13 13 ALA HB3 H 1 1.298 0.001 . 1 . . . . A 13 ALA HB3 . 34130 1 105 . 1 1 13 13 ALA CA C 13 53.873 0.000 . 1 . . . . A 13 ALA CA . 34130 1 106 . 1 1 13 13 ALA CB C 13 19.012 0.000 . 1 . . . . A 13 ALA CB . 34130 1 107 . 1 1 14 14 GLY H H 1 8.248 0.003 . 1 . . . . A 14 GLY H . 34130 1 108 . 1 1 14 14 GLY HA2 H 1 3.867 0.000 . 2 . . . . A 14 GLY HA2 . 34130 1 109 . 1 1 14 14 GLY HA3 H 1 3.905 0.003 . 2 . . . . A 14 GLY HA3 . 34130 1 110 . 1 1 15 15 SER H H 1 7.983 0.001 . 1 . . . . A 15 SER H . 34130 1 111 . 1 1 15 15 SER HA H 1 4.358 0.003 . 1 . . . . A 15 SER HA . 34130 1 112 . 1 1 15 15 SER HB2 H 1 3.860 0.002 . 2 . . . . A 15 SER HB2 . 34130 1 113 . 1 1 15 15 SER HB3 H 1 3.910 0.005 . 2 . . . . A 15 SER HB3 . 34130 1 114 . 1 1 16 16 LYS H H 1 8.221 0.005 . 1 . . . . A 16 LYS H . 34130 1 115 . 1 1 16 16 LYS HA H 1 4.285 0.003 . 1 . . . . A 16 LYS HA . 34130 1 116 . 1 1 16 16 LYS HB2 H 1 1.788 0.002 . 2 . . . . A 16 LYS HB2 . 34130 1 117 . 1 1 16 16 LYS HB3 H 1 1.877 0.003 . 2 . . . . A 16 LYS HB3 . 34130 1 118 . 1 1 16 16 LYS HG2 H 1 1.462 0.000 . 2 . . . . A 16 LYS HG2 . 34130 1 119 . 1 1 16 16 LYS HG3 H 1 1.462 0.000 . 2 . . . . A 16 LYS HG3 . 34130 1 120 . 1 1 16 16 LYS HD2 H 1 1.666 0.004 . 2 . . . . A 16 LYS HD2 . 34130 1 121 . 1 1 16 16 LYS HD3 H 1 1.666 0.004 . 2 . . . . A 16 LYS HD3 . 34130 1 122 . 1 1 16 16 LYS HE2 H 1 2.958 0.000 . 2 . . . . A 16 LYS HE2 . 34130 1 123 . 1 1 16 16 LYS HE3 H 1 2.958 0.000 . 2 . . . . A 16 LYS HE3 . 34130 1 124 . 1 1 16 16 LYS CA C 13 56.906 0.000 . 1 . . . . A 16 LYS CA . 34130 1 125 . 1 1 17 17 LYS H H 1 8.063 0.002 . 1 . . . . A 17 LYS H . 34130 1 126 . 1 1 17 17 LYS HA H 1 4.213 0.005 . 1 . . . . A 17 LYS HA . 34130 1 127 . 1 1 17 17 LYS HB2 H 1 1.716 0.007 . 2 . . . . A 17 LYS HB2 . 34130 1 128 . 1 1 17 17 LYS HB3 H 1 1.787 0.002 . 2 . . . . A 17 LYS HB3 . 34130 1 129 . 1 1 17 17 LYS HG2 H 1 1.415 0.005 . 2 . . . . A 17 LYS HG2 . 34130 1 130 . 1 1 17 17 LYS HG3 H 1 1.415 0.005 . 2 . . . . A 17 LYS HG3 . 34130 1 131 . 1 1 17 17 LYS HD2 H 1 1.668 0.000 . 2 . . . . A 17 LYS HD2 . 34130 1 132 . 1 1 17 17 LYS HD3 H 1 1.668 0.000 . 2 . . . . A 17 LYS HD3 . 34130 1 133 . 1 1 17 17 LYS CA C 13 56.837 0.000 . 1 . . . . A 17 LYS CA . 34130 1 134 . 1 1 18 18 ACA H21 H 1 2.266 0.004 . 2 . . . . A 18 ACA H21 . 34130 1 135 . 1 1 18 18 ACA H22 H 1 2.314 0.002 . 2 . . . . A 18 ACA H22 . 34130 1 136 . 1 1 18 18 ACA H31 H 1 1.580 0.001 . 2 . . . . A 18 ACA H31 . 34130 1 137 . 1 1 18 18 ACA H32 H 1 1.580 0.001 . 2 . . . . A 18 ACA H32 . 34130 1 138 . 1 1 18 18 ACA H41 H 1 1.283 0.005 . 2 . . . . A 18 ACA H41 . 34130 1 139 . 1 1 18 18 ACA H42 H 1 1.283 0.005 . 2 . . . . A 18 ACA H42 . 34130 1 140 . 1 1 18 18 ACA H51 H 1 1.482 0.005 . 2 . . . . A 18 ACA H51 . 34130 1 141 . 1 1 18 18 ACA H52 H 1 1.482 0.005 . 2 . . . . A 18 ACA H52 . 34130 1 142 . 1 1 18 18 ACA H61 H 1 3.127 0.002 . 2 . . . . A 18 ACA H61 . 34130 1 143 . 1 1 18 18 ACA H62 H 1 3.179 0.003 . 2 . . . . A 18 ACA H62 . 34130 1 144 . 1 1 18 18 ACA C2 C 13 38.237 0.007 . 1 . . . . A 18 ACA C2 . 34130 1 145 . 1 1 18 18 ACA C3 C 13 27.853 0.000 . 1 . . . . A 18 ACA C3 . 34130 1 146 . 1 1 18 18 ACA C4 C 13 28.699 0.000 . 1 . . . . A 18 ACA C4 . 34130 1 147 . 1 1 18 18 ACA C5 C 13 31.157 0.000 . 1 . . . . A 18 ACA C5 . 34130 1 148 . 1 1 18 18 ACA C6 C 13 42.216 0.016 . 1 . . . . A 18 ACA C6 . 34130 1 149 . 1 1 18 18 ACA HN61 H 1 7.863 0.003 . 1 . . . . A 18 ACA HN61 . 34130 1 150 . 1 1 19 19 LYS H H 1 8.371 0.002 . 1 . . . . A 19 LYS H . 34130 1 151 . 1 1 19 19 LYS HA H 1 4.232 0.001 . 1 . . . . A 19 LYS HA . 34130 1 152 . 1 1 19 19 LYS HB2 H 1 1.735 0.000 . 2 . . . . A 19 LYS HB2 . 34130 1 153 . 1 1 19 19 LYS HB3 H 1 1.777 0.002 . 2 . . . . A 19 LYS HB3 . 34130 1 154 . 1 1 19 19 LYS HG2 H 1 1.418 0.001 . 2 . . . . A 19 LYS HG2 . 34130 1 155 . 1 1 19 19 LYS HG3 H 1 1.418 0.001 . 2 . . . . A 19 LYS HG3 . 34130 1 156 . 1 1 19 19 LYS HD2 H 1 1.691 0.000 . 2 . . . . A 19 LYS HD2 . 34130 1 157 . 1 1 19 19 LYS HD3 H 1 1.691 0.000 . 2 . . . . A 19 LYS HD3 . 34130 1 158 . 1 1 19 19 LYS HE2 H 1 2.958 0.000 . 2 . . . . A 19 LYS HE2 . 34130 1 159 . 1 1 19 19 LYS HE3 H 1 2.958 0.000 . 2 . . . . A 19 LYS HE3 . 34130 1 160 . 1 1 19 19 LYS CA C 13 57.193 0.000 . 1 . . . . A 19 LYS CA . 34130 1 161 . 1 1 20 20 ASN H H 1 8.327 0.002 . 1 . . . . A 20 ASN H . 34130 1 162 . 1 1 20 20 ASN HA H 1 4.684 0.004 . 1 . . . . A 20 ASN HA . 34130 1 163 . 1 1 20 20 ASN HB2 H 1 2.889 0.004 . 2 . . . . A 20 ASN HB2 . 34130 1 164 . 1 1 20 20 ASN HB3 H 1 2.889 0.004 . 2 . . . . A 20 ASN HB3 . 34130 1 165 . 1 1 20 20 ASN HD21 H 1 6.922 0.001 . 2 . . . . A 20 ASN HD21 . 34130 1 166 . 1 1 20 20 ASN HD22 H 1 7.632 0.000 . 2 . . . . A 20 ASN HD22 . 34130 1 167 . 1 1 20 20 ASN CB C 13 39.198 0.000 . 1 . . . . A 20 ASN CB . 34130 1 168 . 1 1 21 21 GLU H H 1 8.659 0.001 . 1 . . . . A 21 GLU H . 34130 1 169 . 1 1 21 21 GLU HA H 1 4.130 0.003 . 1 . . . . A 21 GLU HA . 34130 1 170 . 1 1 21 21 GLU HB2 H 1 2.018 0.006 . 2 . . . . A 21 GLU HB2 . 34130 1 171 . 1 1 21 21 GLU HB3 H 1 2.080 0.004 . 2 . . . . A 21 GLU HB3 . 34130 1 172 . 1 1 21 21 GLU HG2 H 1 2.292 0.002 . 2 . . . . A 21 GLU HG2 . 34130 1 173 . 1 1 21 21 GLU HG3 H 1 2.292 0.002 . 2 . . . . A 21 GLU HG3 . 34130 1 174 . 1 1 21 21 GLU CA C 13 58.603 0.000 . 1 . . . . A 21 GLU CA . 34130 1 175 . 1 1 22 22 GLN H H 1 8.318 0.002 . 1 . . . . A 22 GLN H . 34130 1 176 . 1 1 22 22 GLN HA H 1 4.143 0.002 . 1 . . . . A 22 GLN HA . 34130 1 177 . 1 1 22 22 GLN HB2 H 1 2.098 0.006 . 2 . . . . A 22 GLN HB2 . 34130 1 178 . 1 1 22 22 GLN HB3 H 1 2.098 0.006 . 2 . . . . A 22 GLN HB3 . 34130 1 179 . 1 1 22 22 GLN HG2 H 1 2.383 0.004 . 2 . . . . A 22 GLN HG2 . 34130 1 180 . 1 1 22 22 GLN HG3 H 1 2.383 0.004 . 2 . . . . A 22 GLN HG3 . 34130 1 181 . 1 1 22 22 GLN HE21 H 1 6.854 0.002 . 2 . . . . A 22 GLN HE21 . 34130 1 182 . 1 1 22 22 GLN HE22 H 1 7.630 0.002 . 2 . . . . A 22 GLN HE22 . 34130 1 183 . 1 1 22 22 GLN CB C 13 28.922 0.000 . 1 . . . . A 22 GLN CB . 34130 1 184 . 1 1 23 23 GLU H H 1 8.305 0.004 . 1 . . . . A 23 GLU H . 34130 1 185 . 1 1 23 23 GLU HA H 1 4.183 0.002 . 1 . . . . A 23 GLU HA . 34130 1 186 . 1 1 23 23 GLU HB2 H 1 2.009 0.003 . 2 . . . . A 23 GLU HB2 . 34130 1 187 . 1 1 23 23 GLU HB3 H 1 2.063 0.006 . 2 . . . . A 23 GLU HB3 . 34130 1 188 . 1 1 23 23 GLU HG2 H 1 2.288 0.004 . 2 . . . . A 23 GLU HG2 . 34130 1 189 . 1 1 23 23 GLU HG3 H 1 2.395 0.008 . 2 . . . . A 23 GLU HG3 . 34130 1 190 . 1 1 24 24 LEU H H 1 8.080 0.003 . 1 . . . . A 24 LEU H . 34130 1 191 . 1 1 24 24 LEU HA H 1 4.203 0.002 . 1 . . . . A 24 LEU HA . 34130 1 192 . 1 1 24 24 LEU HB2 H 1 1.603 0.003 . 2 . . . . A 24 LEU HB2 . 34130 1 193 . 1 1 24 24 LEU HB3 H 1 1.794 0.007 . 2 . . . . A 24 LEU HB3 . 34130 1 194 . 1 1 24 24 LEU HG H 1 1.711 0.007 . 1 . . . . A 24 LEU HG . 34130 1 195 . 1 1 24 24 LEU HD11 H 1 0.868 0.003 . 2 . . . . A 24 LEU HD11 . 34130 1 196 . 1 1 24 24 LEU HD12 H 1 0.868 0.003 . 2 . . . . A 24 LEU HD12 . 34130 1 197 . 1 1 24 24 LEU HD13 H 1 0.868 0.003 . 2 . . . . A 24 LEU HD13 . 34130 1 198 . 1 1 24 24 LEU HD21 H 1 0.912 0.004 . 2 . . . . A 24 LEU HD21 . 34130 1 199 . 1 1 24 24 LEU HD22 H 1 0.912 0.004 . 2 . . . . A 24 LEU HD22 . 34130 1 200 . 1 1 24 24 LEU HD23 H 1 0.912 0.004 . 2 . . . . A 24 LEU HD23 . 34130 1 201 . 1 1 24 24 LEU CB C 13 42.319 0.000 . 1 . . . . A 24 LEU CB . 34130 1 202 . 1 1 24 24 LEU CG C 13 27.393 0.000 . 1 . . . . A 24 LEU CG . 34130 1 203 . 1 1 25 25 LEU H H 1 7.891 0.004 . 1 . . . . A 25 LEU H . 34130 1 204 . 1 1 25 25 LEU HA H 1 4.322 0.005 . 1 . . . . A 25 LEU HA . 34130 1 205 . 1 1 25 25 LEU HB2 H 1 1.607 0.003 . 2 . . . . A 25 LEU HB2 . 34130 1 206 . 1 1 25 25 LEU HB3 H 1 1.766 0.003 . 2 . . . . A 25 LEU HB3 . 34130 1 207 . 1 1 25 25 LEU HG H 1 1.703 0.003 . 1 . . . . A 25 LEU HG . 34130 1 208 . 1 1 25 25 LEU HD11 H 1 0.865 0.003 . 2 . . . . A 25 LEU HD11 . 34130 1 209 . 1 1 25 25 LEU HD12 H 1 0.865 0.003 . 2 . . . . A 25 LEU HD12 . 34130 1 210 . 1 1 25 25 LEU HD13 H 1 0.865 0.003 . 2 . . . . A 25 LEU HD13 . 34130 1 211 . 1 1 25 25 LEU HD21 H 1 0.895 0.001 . 2 . . . . A 25 LEU HD21 . 34130 1 212 . 1 1 25 25 LEU HD22 H 1 0.895 0.001 . 2 . . . . A 25 LEU HD22 . 34130 1 213 . 1 1 25 25 LEU HD23 H 1 0.895 0.001 . 2 . . . . A 25 LEU HD23 . 34130 1 214 . 1 1 25 25 LEU CB C 13 42.564 0.006 . 1 . . . . A 25 LEU CB . 34130 1 215 . 1 1 26 26 GLU H H 1 7.983 0.003 . 1 . . . . A 26 GLU H . 34130 1 216 . 1 1 26 26 GLU HA H 1 4.303 0.003 . 1 . . . . A 26 GLU HA . 34130 1 217 . 1 1 26 26 GLU HB2 H 1 2.051 0.001 . 2 . . . . A 26 GLU HB2 . 34130 1 218 . 1 1 26 26 GLU HB3 H 1 2.085 0.003 . 2 . . . . A 26 GLU HB3 . 34130 1 219 . 1 1 26 26 GLU HG2 H 1 2.295 0.002 . 2 . . . . A 26 GLU HG2 . 34130 1 220 . 1 1 26 26 GLU HG3 H 1 2.356 0.003 . 2 . . . . A 26 GLU HG3 . 34130 1 221 . 1 1 27 27 LEU H H 1 8.221 0.004 . 1 . . . . A 27 LEU H . 34130 1 222 . 1 1 27 27 LEU HA H 1 4.096 0.003 . 1 . . . . A 27 LEU HA . 34130 1 223 . 1 1 27 27 LEU HB2 H 1 1.670 0.005 . 2 . . . . A 27 LEU HB2 . 34130 1 224 . 1 1 27 27 LEU HB3 H 1 1.787 0.001 . 2 . . . . A 27 LEU HB3 . 34130 1 225 . 1 1 27 27 LEU HG H 1 1.784 0.005 . 1 . . . . A 27 LEU HG . 34130 1 226 . 1 1 27 27 LEU HD11 H 1 0.859 0.006 . 2 . . . . A 27 LEU HD11 . 34130 1 227 . 1 1 27 27 LEU HD12 H 1 0.859 0.006 . 2 . . . . A 27 LEU HD12 . 34130 1 228 . 1 1 27 27 LEU HD13 H 1 0.859 0.006 . 2 . . . . A 27 LEU HD13 . 34130 1 229 . 1 1 27 27 LEU HD21 H 1 0.928 0.003 . 2 . . . . A 27 LEU HD21 . 34130 1 230 . 1 1 27 27 LEU HD22 H 1 0.928 0.003 . 2 . . . . A 27 LEU HD22 . 34130 1 231 . 1 1 27 27 LEU HD23 H 1 0.928 0.003 . 2 . . . . A 27 LEU HD23 . 34130 1 232 . 1 1 27 27 LEU CA C 13 58.027 0.000 . 1 . . . . A 27 LEU CA . 34130 1 233 . 1 1 27 27 LEU CB C 13 42.257 0.000 . 1 . . . . A 27 LEU CB . 34130 1 234 . 1 1 27 27 LEU CG C 13 27.420 0.000 . 1 . . . . A 27 LEU CG . 34130 1 235 . 1 1 28 28 ASP H H 1 8.503 0.002 . 1 . . . . A 28 ASP H . 34130 1 236 . 1 1 28 28 ASP HA H 1 4.389 0.001 . 1 . . . . A 28 ASP HA . 34130 1 237 . 1 1 28 28 ASP HB2 H 1 2.716 0.002 . 2 . . . . A 28 ASP HB2 . 34130 1 238 . 1 1 28 28 ASP HB3 H 1 2.716 0.002 . 2 . . . . A 28 ASP HB3 . 34130 1 239 . 1 1 28 28 ASP CB C 13 40.438 0.000 . 1 . . . . A 28 ASP CB . 34130 1 240 . 1 1 29 29 LYS H H 1 7.827 0.001 . 1 . . . . A 29 LYS H . 34130 1 241 . 1 1 29 29 LYS HA H 1 4.096 0.003 . 1 . . . . A 29 LYS HA . 34130 1 242 . 1 1 29 29 LYS HB2 H 1 1.688 0.005 . 2 . . . . A 29 LYS HB2 . 34130 1 243 . 1 1 29 29 LYS HB3 H 1 1.797 0.006 . 2 . . . . A 29 LYS HB3 . 34130 1 244 . 1 1 29 29 LYS HG2 H 1 1.167 0.006 . 2 . . . . A 29 LYS HG2 . 34130 1 245 . 1 1 29 29 LYS HG3 H 1 1.315 0.007 . 2 . . . . A 29 LYS HG3 . 34130 1 246 . 1 1 29 29 LYS HD2 H 1 1.548 0.005 . 2 . . . . A 29 LYS HD2 . 34130 1 247 . 1 1 29 29 LYS HD3 H 1 1.548 0.005 . 2 . . . . A 29 LYS HD3 . 34130 1 248 . 1 1 29 29 LYS HE2 H 1 2.806 0.005 . 2 . . . . A 29 LYS HE2 . 34130 1 249 . 1 1 29 29 LYS HE3 H 1 2.806 0.005 . 2 . . . . A 29 LYS HE3 . 34130 1 250 . 1 1 29 29 LYS CA C 13 58.603 0.000 . 1 . . . . A 29 LYS CA . 34130 1 251 . 1 1 29 29 LYS CE C 13 42.240 0.000 . 1 . . . . A 29 LYS CE . 34130 1 252 . 1 1 30 30 TRP H H 1 7.805 0.004 . 1 . . . . A 30 TRP H . 34130 1 253 . 1 1 30 30 TRP HA H 1 4.480 0.003 . 1 . . . . A 30 TRP HA . 34130 1 254 . 1 1 30 30 TRP HB2 H 1 3.243 0.006 . 2 . . . . A 30 TRP HB2 . 34130 1 255 . 1 1 30 30 TRP HB3 H 1 3.427 0.004 . 2 . . . . A 30 TRP HB3 . 34130 1 256 . 1 1 30 30 TRP HD1 H 1 7.326 0.003 . 1 . . . . A 30 TRP HD1 . 34130 1 257 . 1 1 30 30 TRP HE1 H 1 10.603 0.002 . 1 . . . . A 30 TRP HE1 . 34130 1 258 . 1 1 30 30 TRP HE3 H 1 7.518 0.002 . 1 . . . . A 30 TRP HE3 . 34130 1 259 . 1 1 30 30 TRP HZ2 H 1 7.442 0.002 . 1 . . . . A 30 TRP HZ2 . 34130 1 260 . 1 1 30 30 TRP HZ3 H 1 6.947 0.002 . 1 . . . . A 30 TRP HZ3 . 34130 1 261 . 1 1 30 30 TRP HH2 H 1 7.071 0.001 . 1 . . . . A 30 TRP HH2 . 34130 1 262 . 1 1 31 31 ALA H H 1 8.214 0.003 . 1 . . . . A 31 ALA H . 34130 1 263 . 1 1 31 31 ALA HA H 1 3.867 0.002 . 1 . . . . A 31 ALA HA . 34130 1 264 . 1 1 31 31 ALA HB1 H 1 1.460 0.002 . 1 . . . . A 31 ALA HB1 . 34130 1 265 . 1 1 31 31 ALA HB2 H 1 1.460 0.002 . 1 . . . . A 31 ALA HB2 . 34130 1 266 . 1 1 31 31 ALA HB3 H 1 1.460 0.002 . 1 . . . . A 31 ALA HB3 . 34130 1 267 . 1 1 31 31 ALA CA C 13 55.220 0.000 . 1 . . . . A 31 ALA CA . 34130 1 268 . 1 1 31 31 ALA CB C 13 18.641 0.000 . 1 . . . . A 31 ALA CB . 34130 1 269 . 1 1 32 32 SER H H 1 7.938 0.002 . 1 . . . . A 32 SER H . 34130 1 270 . 1 1 32 32 SER HA H 1 4.267 0.003 . 1 . . . . A 32 SER HA . 34130 1 271 . 1 1 32 32 SER HB2 H 1 3.958 0.002 . 2 . . . . A 32 SER HB2 . 34130 1 272 . 1 1 32 32 SER HB3 H 1 3.958 0.002 . 2 . . . . A 32 SER HB3 . 34130 1 273 . 1 1 32 32 SER CB C 13 63.276 0.000 . 1 . . . . A 32 SER CB . 34130 1 274 . 1 1 33 33 LEU H H 1 7.743 0.002 . 1 . . . . A 33 LEU H . 34130 1 275 . 1 1 33 33 LEU HA H 1 4.146 0.002 . 1 . . . . A 33 LEU HA . 34130 1 276 . 1 1 33 33 LEU HB2 H 1 1.795 0.003 . 2 . . . . A 33 LEU HB2 . 34130 1 277 . 1 1 33 33 LEU HB3 H 1 1.893 0.002 . 2 . . . . A 33 LEU HB3 . 34130 1 278 . 1 1 33 33 LEU HG H 1 1.549 0.004 . 1 . . . . A 33 LEU HG . 34130 1 279 . 1 1 33 33 LEU HD11 H 1 0.881 0.006 . 2 . . . . A 33 LEU HD11 . 34130 1 280 . 1 1 33 33 LEU HD12 H 1 0.881 0.006 . 2 . . . . A 33 LEU HD12 . 34130 1 281 . 1 1 33 33 LEU HD13 H 1 0.881 0.006 . 2 . . . . A 33 LEU HD13 . 34130 1 282 . 1 1 33 33 LEU HD21 H 1 0.943 0.004 . 2 . . . . A 33 LEU HD21 . 34130 1 283 . 1 1 33 33 LEU HD22 H 1 0.943 0.004 . 2 . . . . A 33 LEU HD22 . 34130 1 284 . 1 1 33 33 LEU HD23 H 1 0.943 0.004 . 2 . . . . A 33 LEU HD23 . 34130 1 285 . 1 1 33 33 LEU CA C 13 57.386 0.000 . 1 . . . . A 33 LEU CA . 34130 1 286 . 1 1 33 33 LEU CB C 13 42.532 0.000 . 1 . . . . A 33 LEU CB . 34130 1 287 . 1 1 34 34 TRP H H 1 7.719 0.002 . 1 . . . . A 34 TRP H . 34130 1 288 . 1 1 34 34 TRP HA H 1 4.532 0.001 . 1 . . . . A 34 TRP HA . 34130 1 289 . 1 1 34 34 TRP HB2 H 1 3.226 0.003 . 2 . . . . A 34 TRP HB2 . 34130 1 290 . 1 1 34 34 TRP HB3 H 1 3.320 0.001 . 2 . . . . A 34 TRP HB3 . 34130 1 291 . 1 1 34 34 TRP HD1 H 1 7.178 0.001 . 1 . . . . A 34 TRP HD1 . 34130 1 292 . 1 1 34 34 TRP HE1 H 1 10.375 0.002 . 1 . . . . A 34 TRP HE1 . 34130 1 293 . 1 1 34 34 TRP HE3 H 1 7.506 0.005 . 1 . . . . A 34 TRP HE3 . 34130 1 294 . 1 1 34 34 TRP HZ2 H 1 7.444 0.003 . 1 . . . . A 34 TRP HZ2 . 34130 1 295 . 1 1 34 34 TRP HZ3 H 1 6.985 0.003 . 1 . . . . A 34 TRP HZ3 . 34130 1 296 . 1 1 34 34 TRP HH2 H 1 7.070 0.002 . 1 . . . . A 34 TRP HH2 . 34130 1 297 . 1 1 35 35 ASN H H 1 7.981 0.001 . 1 . . . . A 35 ASN H . 34130 1 298 . 1 1 35 35 ASN HA H 1 4.533 0.002 . 1 . . . . A 35 ASN HA . 34130 1 299 . 1 1 35 35 ASN HB2 H 1 2.711 0.005 . 2 . . . . A 35 ASN HB2 . 34130 1 300 . 1 1 35 35 ASN HB3 H 1 2.787 0.003 . 2 . . . . A 35 ASN HB3 . 34130 1 301 . 1 1 35 35 ASN HD21 H 1 6.969 0.003 . 2 . . . . A 35 ASN HD21 . 34130 1 302 . 1 1 35 35 ASN HD22 H 1 7.553 0.003 . 2 . . . . A 35 ASN HD22 . 34130 1 303 . 1 1 35 35 ASN CB C 13 39.638 0.000 . 1 . . . . A 35 ASN CB . 34130 1 stop_ save_