################################### # 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 17797 _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 2 '2D 1H-1H TOCSY' . . . 17797 1 3 '2D 1H-1H NOESY' . . . 17797 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 LEU HA H 1 3.908 0.01 . 1 . . . A 1 LEU HA . 17797 1 2 . 1 1 1 1 LEU HB2 H 1 1.589 0.01 . 4 . . . A 1 LEU HB2 . 17797 1 3 . 1 1 1 1 LEU HB3 H 1 1.589 0.01 . 4 . . . A 1 LEU HB3 . 17797 1 4 . 1 1 1 1 LEU HG H 1 1.589 0.01 . 4 . . . A 1 LEU HG . 17797 1 5 . 1 1 1 1 LEU HD11 H 1 0.856 0.01 . 2 . . . A 1 LEU HD11 . 17797 1 6 . 1 1 1 1 LEU HD12 H 1 0.856 0.01 . 2 . . . A 1 LEU HD12 . 17797 1 7 . 1 1 1 1 LEU HD13 H 1 0.856 0.01 . 2 . . . A 1 LEU HD13 . 17797 1 8 . 1 1 1 1 LEU HD21 H 1 0.845 0.01 . 2 . . . A 1 LEU HD21 . 17797 1 9 . 1 1 1 1 LEU HD22 H 1 0.845 0.01 . 2 . . . A 1 LEU HD22 . 17797 1 10 . 1 1 1 1 LEU HD23 H 1 0.845 0.01 . 2 . . . A 1 LEU HD23 . 17797 1 11 . 1 1 2 2 PHE H H 1 8.751 0.01 . 1 . . . A 2 PHE H . 17797 1 12 . 1 1 2 2 PHE HA H 1 4.670 0.01 . 1 . . . A 2 PHE HA . 17797 1 13 . 1 1 2 2 PHE HB2 H 1 3.170 0.01 . 2 . . . A 2 PHE HB2 . 17797 1 14 . 1 1 2 2 PHE HB3 H 1 3.041 0.01 . 2 . . . A 2 PHE HB3 . 17797 1 15 . 1 1 2 2 PHE HD1 H 1 7.306 0.01 . 3 . . . A 2 PHE HD1 . 17797 1 16 . 1 1 2 2 PHE HD2 H 1 7.307 0.01 . 3 . . . A 2 PHE HD2 . 17797 1 17 . 1 1 2 2 PHE HE1 H 1 7.415 0.01 . 3 . . . A 2 PHE HE1 . 17797 1 18 . 1 1 2 2 PHE HE2 H 1 7.415 0.01 . 3 . . . A 2 PHE HE2 . 17797 1 19 . 1 1 2 2 PHE HZ H 1 7.373 0.01 . 1 . . . A 2 PHE HZ . 17797 1 20 . 1 1 3 3 CYS H H 1 8.885 0.01 . 1 . . . A 3 CYS H . 17797 1 21 . 1 1 3 3 CYS HA H 1 4.366 0.01 . 1 . . . A 3 CYS HA . 17797 1 22 . 1 1 3 3 CYS HB2 H 1 3.161 0.01 . 2 . . . A 3 CYS HB2 . 17797 1 23 . 1 1 3 3 CYS HB3 H 1 2.589 0.01 . 2 . . . A 3 CYS HB3 . 17797 1 24 . 1 1 4 4 LYS H H 1 8.278 0.01 . 1 . . . A 4 LYS H . 17797 1 25 . 1 1 4 4 LYS HA H 1 4.040 0.01 . 1 . . . A 4 LYS HA . 17797 1 26 . 1 1 4 4 LYS HB2 H 1 1.739 0.01 . 2 . . . A 4 LYS HB2 . 17797 1 27 . 1 1 4 4 LYS HB3 H 1 1.672 0.01 . 2 . . . A 4 LYS HB3 . 17797 1 28 . 1 1 4 4 LYS HG2 H 1 1.415 0.01 . 2 . . . A 4 LYS HG2 . 17797 1 29 . 1 1 4 4 LYS HG3 H 1 1.312 0.01 . 2 . . . A 4 LYS HG3 . 17797 1 30 . 1 1 4 4 LYS HD2 H 1 1.672 0.01 . 2 . . . A 4 LYS HD2 . 17797 1 31 . 1 1 4 4 LYS HD3 H 1 1.672 0.01 . 2 . . . A 4 LYS HD3 . 17797 1 32 . 1 1 4 4 LYS HE2 H 1 2.938 0.01 . 2 . . . A 4 LYS HE2 . 17797 1 33 . 1 1 4 4 LYS HE3 H 1 2.938 0.01 . 2 . . . A 4 LYS HE3 . 17797 1 34 . 1 1 4 4 LYS HZ1 H 1 7.400 0.01 . 1 . . . A 4 LYS HZ1 . 17797 1 35 . 1 1 4 4 LYS HZ2 H 1 7.400 0.01 . 1 . . . A 4 LYS HZ2 . 17797 1 36 . 1 1 4 4 LYS HZ3 H 1 7.400 0.01 . 1 . . . A 4 LYS HZ3 . 17797 1 37 . 1 1 5 5 GLY H H 1 9.033 0.01 . 1 . . . A 5 GLY H . 17797 1 38 . 1 1 5 5 GLY HA2 H 1 4.158 0.01 . 2 . . . A 5 GLY HA2 . 17797 1 39 . 1 1 5 5 GLY HA3 H 1 3.834 0.01 . 2 . . . A 5 GLY HA3 . 17797 1 40 . 1 1 6 6 GLY H H 1 7.745 0.01 . 1 . . . A 6 GLY H . 17797 1 41 . 1 1 6 6 GLY HA2 H 1 4.571 0.01 . 2 . . . A 6 GLY HA2 . 17797 1 42 . 1 1 6 6 GLY HA3 H 1 3.642 0.01 . 2 . . . A 6 GLY HA3 . 17797 1 43 . 1 1 7 7 SER H H 1 8.748 0.01 . 1 . . . A 7 SER H . 17797 1 44 . 1 1 7 7 SER HA H 1 4.793 0.01 . 1 . . . A 7 SER HA . 17797 1 45 . 1 1 7 7 SER HB2 H 1 3.828 0.01 . 2 . . . A 7 SER HB2 . 17797 1 46 . 1 1 7 7 SER HB3 H 1 3.673 0.01 . 2 . . . A 7 SER HB3 . 17797 1 47 . 1 1 8 8 CYS H H 1 8.799 0.01 . 1 . . . A 8 CYS H . 17797 1 48 . 1 1 8 8 CYS HA H 1 5.654 0.01 . 1 . . . A 8 CYS HA . 17797 1 49 . 1 1 8 8 CYS HB2 H 1 2.882 0.01 . 2 . . . A 8 CYS HB2 . 17797 1 50 . 1 1 8 8 CYS HB3 H 1 2.423 0.01 . 2 . . . A 8 CYS HB3 . 17797 1 51 . 1 1 9 9 HIS H H 1 9.427 0.01 . 1 . . . A 9 HIS H . 17797 1 52 . 1 1 9 9 HIS HA H 1 4.758 0.01 . 1 . . . A 9 HIS HA . 17797 1 53 . 1 1 9 9 HIS HB2 H 1 3.278 0.01 . 2 . . . A 9 HIS HB2 . 17797 1 54 . 1 1 9 9 HIS HB3 H 1 2.896 0.01 . 2 . . . A 9 HIS HB3 . 17797 1 55 . 1 1 9 9 HIS HD2 H 1 6.917 0.01 . 1 . . . A 9 HIS HD2 . 17797 1 56 . 1 1 9 9 HIS HE1 H 1 8.541 0.01 . 1 . . . A 9 HIS HE1 . 17797 1 57 . 1 1 10 10 PHE H H 1 9.255 0.01 . 1 . . . A 10 PHE H . 17797 1 58 . 1 1 10 10 PHE HA H 1 4.550 0.01 . 1 . . . A 10 PHE HA . 17797 1 59 . 1 1 10 10 PHE HB2 H 1 3.137 0.01 . 2 . . . A 10 PHE HB2 . 17797 1 60 . 1 1 10 10 PHE HB3 H 1 2.986 0.01 . 2 . . . A 10 PHE HB3 . 17797 1 61 . 1 1 10 10 PHE HD1 H 1 7.297 0.01 . 3 . . . A 10 PHE HD1 . 17797 1 62 . 1 1 10 10 PHE HD2 H 1 7.297 0.01 . 3 . . . A 10 PHE HD2 . 17797 1 63 . 1 1 10 10 PHE HE1 H 1 7.415 0.01 . 3 . . . A 10 PHE HE1 . 17797 1 64 . 1 1 10 10 PHE HE2 H 1 7.415 0.01 . 3 . . . A 10 PHE HE2 . 17797 1 65 . 1 1 10 10 PHE HZ H 1 7.373 0.01 . 1 . . . A 10 PHE HZ . 17797 1 66 . 1 1 11 11 GLY H H 1 8.642 0.01 . 1 . . . A 11 GLY H . 17797 1 67 . 1 1 11 11 GLY HA2 H 1 4.006 0.01 . 2 . . . A 11 GLY HA2 . 17797 1 68 . 1 1 11 11 GLY HA3 H 1 3.506 0.01 . 2 . . . A 11 GLY HA3 . 17797 1 69 . 1 1 12 12 GLY H H 1 7.976 0.01 . 1 . . . A 12 GLY H . 17797 1 70 . 1 1 12 12 GLY HA2 H 1 3.908 0.01 . 2 . . . A 12 GLY HA2 . 17797 1 71 . 1 1 12 12 GLY HA3 H 1 3.908 0.01 . 2 . . . A 12 GLY HA3 . 17797 1 72 . 1 1 13 13 CYS H H 1 8.487 0.01 . 1 . . . A 13 CYS H . 17797 1 73 . 1 1 13 13 CYS HA H 1 4.769 0.01 . 1 . . . A 13 CYS HA . 17797 1 74 . 1 1 13 13 CYS HB2 H 1 2.470 0.01 . 2 . . . A 13 CYS HB2 . 17797 1 75 . 1 1 13 13 CYS HB3 H 1 2.470 0.01 . 2 . . . A 13 CYS HB3 . 17797 1 76 . 1 1 14 14 PRO HA H 1 4.380 0.01 . 1 . . . A 14 PRO HA . 17797 1 77 . 1 1 14 14 PRO HB2 H 1 1.682 0.01 . 2 . . . A 14 PRO HB2 . 17797 1 78 . 1 1 14 14 PRO HB3 H 1 2.252 0.01 . 2 . . . A 14 PRO HB3 . 17797 1 79 . 1 1 14 14 PRO HG2 H 1 1.480 0.01 . 2 . . . A 14 PRO HG2 . 17797 1 80 . 1 1 14 14 PRO HG3 H 1 1.480 0.01 . 2 . . . A 14 PRO HG3 . 17797 1 81 . 1 1 14 14 PRO HD2 H 1 2.978 0.01 . 2 . . . A 14 PRO HD2 . 17797 1 82 . 1 1 14 14 PRO HD3 H 1 2.775 0.01 . 2 . . . A 14 PRO HD3 . 17797 1 83 . 1 1 15 15 SER H H 1 8.294 0.01 . 1 . . . A 15 SER H . 17797 1 84 . 1 1 15 15 SER HA H 1 3.934 0.01 . 1 . . . A 15 SER HA . 17797 1 85 . 1 1 15 15 SER HB2 H 1 3.660 0.01 . 2 . . . A 15 SER HB2 . 17797 1 86 . 1 1 15 15 SER HB3 H 1 3.617 0.01 . 2 . . . A 15 SER HB3 . 17797 1 87 . 1 1 16 16 HIS H H 1 8.331 0.01 . 1 . . . A 16 HIS H . 17797 1 88 . 1 1 16 16 HIS HA H 1 4.309 0.01 . 1 . . . A 16 HIS HA . 17797 1 89 . 1 1 16 16 HIS HB2 H 1 3.559 0.01 . 2 . . . A 16 HIS HB2 . 17797 1 90 . 1 1 16 16 HIS HB3 H 1 3.342 0.01 . 2 . . . A 16 HIS HB3 . 17797 1 91 . 1 1 16 16 HIS HD2 H 1 7.110 0.01 . 1 . . . A 16 HIS HD2 . 17797 1 92 . 1 1 16 16 HIS HE1 H 1 8.494 0.01 . 1 . . . A 16 HIS HE1 . 17797 1 93 . 1 1 17 17 LEU H H 1 7.606 0.01 . 1 . . . A 17 LEU H . 17797 1 94 . 1 1 17 17 LEU HA H 1 4.429 0.01 . 1 . . . A 17 LEU HA . 17797 1 95 . 1 1 17 17 LEU HB2 H 1 1.259 0.01 . 2 . . . A 17 LEU HB2 . 17797 1 96 . 1 1 17 17 LEU HB3 H 1 0.797 0.01 . 2 . . . A 17 LEU HB3 . 17797 1 97 . 1 1 17 17 LEU HG H 1 1.000 0.01 . 1 . . . A 17 LEU HG . 17797 1 98 . 1 1 17 17 LEU HD11 H 1 0.251 0.01 . 2 . . . A 17 LEU HD11 . 17797 1 99 . 1 1 17 17 LEU HD12 H 1 0.251 0.01 . 2 . . . A 17 LEU HD12 . 17797 1 100 . 1 1 17 17 LEU HD13 H 1 0.251 0.01 . 2 . . . A 17 LEU HD13 . 17797 1 101 . 1 1 17 17 LEU HD21 H 1 -0.157 0.01 . 2 . . . A 17 LEU HD21 . 17797 1 102 . 1 1 17 17 LEU HD22 H 1 -0.157 0.01 . 2 . . . A 17 LEU HD22 . 17797 1 103 . 1 1 17 17 LEU HD23 H 1 -0.157 0.01 . 2 . . . A 17 LEU HD23 . 17797 1 104 . 1 1 18 18 ILE H H 1 8.946 0.01 . 1 . . . A 18 ILE H . 17797 1 105 . 1 1 18 18 ILE HA H 1 4.347 0.01 . 1 . . . A 18 ILE HA . 17797 1 106 . 1 1 18 18 ILE HB H 1 1.655 0.01 . 1 . . . A 18 ILE HB . 17797 1 107 . 1 1 18 18 ILE HG12 H 1 1.336 0.01 . 2 . . . A 18 ILE HG12 . 17797 1 108 . 1 1 18 18 ILE HG13 H 1 0.947 0.01 . 2 . . . A 18 ILE HG13 . 17797 1 109 . 1 1 18 18 ILE HG21 H 1 0.780 0.01 . 1 . . . A 18 ILE HG21 . 17797 1 110 . 1 1 18 18 ILE HG22 H 1 0.780 0.01 . 1 . . . A 18 ILE HG22 . 17797 1 111 . 1 1 18 18 ILE HG23 H 1 0.780 0.01 . 1 . . . A 18 ILE HG23 . 17797 1 112 . 1 1 18 18 ILE HD11 H 1 0.728 0.01 . 1 . . . A 18 ILE HD11 . 17797 1 113 . 1 1 18 18 ILE HD12 H 1 0.728 0.01 . 1 . . . A 18 ILE HD12 . 17797 1 114 . 1 1 18 18 ILE HD13 H 1 0.728 0.01 . 1 . . . A 18 ILE HD13 . 17797 1 115 . 1 1 19 19 LYS H H 1 8.568 0.01 . 1 . . . A 19 LYS H . 17797 1 116 . 1 1 19 19 LYS HA H 1 4.798 0.01 . 1 . . . A 19 LYS HA . 17797 1 117 . 1 1 19 19 LYS HB2 H 1 1.854 0.01 . 2 . . . A 19 LYS HB2 . 17797 1 118 . 1 1 19 19 LYS HB3 H 1 1.642 0.01 . 2 . . . A 19 LYS HB3 . 17797 1 119 . 1 1 19 19 LYS HG2 H 1 1.338 0.01 . 2 . . . A 19 LYS HG2 . 17797 1 120 . 1 1 19 19 LYS HG3 H 1 1.338 0.01 . 2 . . . A 19 LYS HG3 . 17797 1 121 . 1 1 19 19 LYS HD2 H 1 1.467 0.01 . 2 . . . A 19 LYS HD2 . 17797 1 122 . 1 1 19 19 LYS HD3 H 1 1.467 0.01 . 2 . . . A 19 LYS HD3 . 17797 1 123 . 1 1 19 19 LYS HE2 H 1 2.882 0.01 . 2 . . . A 19 LYS HE2 . 17797 1 124 . 1 1 19 19 LYS HE3 H 1 2.882 0.01 . 2 . . . A 19 LYS HE3 . 17797 1 125 . 1 1 19 19 LYS HZ1 H 1 7.400 0.01 . 1 . . . A 19 LYS HZ1 . 17797 1 126 . 1 1 19 19 LYS HZ2 H 1 7.400 0.01 . 1 . . . A 19 LYS HZ2 . 17797 1 127 . 1 1 19 19 LYS HZ3 H 1 7.400 0.01 . 1 . . . A 19 LYS HZ3 . 17797 1 128 . 1 1 20 20 VAL H H 1 8.803 0.01 . 1 . . . A 20 VAL H . 17797 1 129 . 1 1 20 20 VAL HA H 1 4.428 0.01 . 1 . . . A 20 VAL HA . 17797 1 130 . 1 1 20 20 VAL HB H 1 2.164 0.01 . 1 . . . A 20 VAL HB . 17797 1 131 . 1 1 20 20 VAL HG11 H 1 0.693 0.01 . 2 . . . A 20 VAL HG11 . 17797 1 132 . 1 1 20 20 VAL HG12 H 1 0.693 0.01 . 2 . . . A 20 VAL HG12 . 17797 1 133 . 1 1 20 20 VAL HG13 H 1 0.693 0.01 . 2 . . . A 20 VAL HG13 . 17797 1 134 . 1 1 20 20 VAL HG21 H 1 0.865 0.01 . 2 . . . A 20 VAL HG21 . 17797 1 135 . 1 1 20 20 VAL HG22 H 1 0.865 0.01 . 2 . . . A 20 VAL HG22 . 17797 1 136 . 1 1 20 20 VAL HG23 H 1 0.865 0.01 . 2 . . . A 20 VAL HG23 . 17797 1 137 . 1 1 21 21 GLY H H 1 7.805 0.01 . 1 . . . A 21 GLY H . 17797 1 138 . 1 1 21 21 GLY HA2 H 1 4.239 0.01 . 2 . . . A 21 GLY HA2 . 17797 1 139 . 1 1 21 21 GLY HA3 H 1 3.907 0.01 . 2 . . . A 21 GLY HA3 . 17797 1 140 . 1 1 22 22 SER H H 1 8.728 0.01 . 1 . . . A 22 SER H . 17797 1 141 . 1 1 22 22 SER HA H 1 5.031 0.01 . 1 . . . A 22 SER HA . 17797 1 142 . 1 1 22 22 SER HB2 H 1 3.862 0.01 . 2 . . . A 22 SER HB2 . 17797 1 143 . 1 1 22 22 SER HB3 H 1 3.687 0.01 . 2 . . . A 22 SER HB3 . 17797 1 144 . 1 1 23 23 CYS H H 1 8.094 0.01 . 1 . . . A 23 CYS H . 17797 1 145 . 1 1 23 23 CYS HA H 1 4.749 0.01 . 1 . . . A 23 CYS HA . 17797 1 146 . 1 1 23 23 CYS HB2 H 1 3.114 0.01 . 2 . . . A 23 CYS HB2 . 17797 1 147 . 1 1 23 23 CYS HB3 H 1 3.114 0.01 . 2 . . . A 23 CYS HB3 . 17797 1 148 . 1 1 24 24 PHE H H 1 7.759 0.01 . 1 . . . A 24 PHE H . 17797 1 149 . 1 1 24 24 PHE HA H 1 4.161 0.01 . 1 . . . A 24 PHE HA . 17797 1 150 . 1 1 24 24 PHE HB2 H 1 2.949 0.01 . 2 . . . A 24 PHE HB2 . 17797 1 151 . 1 1 24 24 PHE HB3 H 1 2.860 0.01 . 2 . . . A 24 PHE HB3 . 17797 1 152 . 1 1 24 24 PHE HD1 H 1 7.111 0.01 . 3 . . . A 24 PHE HD1 . 17797 1 153 . 1 1 24 24 PHE HD2 H 1 7.111 0.01 . 3 . . . A 24 PHE HD2 . 17797 1 154 . 1 1 24 24 PHE HE1 H 1 7.288 0.01 . 4 . . . A 24 PHE HE1 . 17797 1 155 . 1 1 24 24 PHE HE2 H 1 7.288 0.01 . 4 . . . A 24 PHE HE2 . 17797 1 156 . 1 1 24 24 PHE HZ H 1 7.288 0.01 . 4 . . . A 24 PHE HZ . 17797 1 157 . 1 1 25 25 GLY H H 1 8.254 0.01 . 1 . . . A 25 GLY H . 17797 1 158 . 1 1 25 25 GLY HA2 H 1 3.710 0.01 . 2 . . . A 25 GLY HA2 . 17797 1 159 . 1 1 25 25 GLY HA3 H 1 3.336 0.01 . 2 . . . A 25 GLY HA3 . 17797 1 160 . 1 1 26 26 PHE H H 1 8.271 0.01 . 1 . . . A 26 PHE H . 17797 1 161 . 1 1 26 26 PHE HA H 1 4.373 0.01 . 1 . . . A 26 PHE HA . 17797 1 162 . 1 1 26 26 PHE HB2 H 1 3.347 0.01 . 2 . . . A 26 PHE HB2 . 17797 1 163 . 1 1 26 26 PHE HB3 H 1 3.190 0.01 . 2 . . . A 26 PHE HB3 . 17797 1 164 . 1 1 26 26 PHE HD1 H 1 7.201 0.01 . 3 . . . A 26 PHE HD1 . 17797 1 165 . 1 1 26 26 PHE HD2 H 1 7.201 0.01 . 3 . . . A 26 PHE HD2 . 17797 1 166 . 1 1 26 26 PHE HE1 H 1 7.335 0.01 . 3 . . . A 26 PHE HE1 . 17797 1 167 . 1 1 26 26 PHE HE2 H 1 7.335 0.01 . 3 . . . A 26 PHE HE2 . 17797 1 168 . 1 1 26 26 PHE HZ H 1 7.282 0.01 . 1 . . . A 26 PHE HZ . 17797 1 169 . 1 1 27 27 ARG H H 1 7.063 0.01 . 1 . . . A 27 ARG H . 17797 1 170 . 1 1 27 27 ARG HA H 1 4.574 0.01 . 1 . . . A 27 ARG HA . 17797 1 171 . 1 1 27 27 ARG HB2 H 1 1.461 0.01 . 2 . . . A 27 ARG HB2 . 17797 1 172 . 1 1 27 27 ARG HB3 H 1 1.410 0.01 . 2 . . . A 27 ARG HB3 . 17797 1 173 . 1 1 27 27 ARG HG2 H 1 0.919 0.01 . 2 . . . A 27 ARG HG2 . 17797 1 174 . 1 1 27 27 ARG HG3 H 1 0.919 0.01 . 2 . . . A 27 ARG HG3 . 17797 1 175 . 1 1 27 27 ARG HD2 H 1 2.763 0.01 . 2 . . . A 27 ARG HD2 . 17797 1 176 . 1 1 27 27 ARG HD3 H 1 2.687 0.01 . 2 . . . A 27 ARG HD3 . 17797 1 177 . 1 1 27 27 ARG HE H 1 6.831 0.01 . 1 . . . A 27 ARG HE . 17797 1 178 . 1 1 28 28 SER H H 1 9.136 0.01 . 1 . . . A 28 SER H . 17797 1 179 . 1 1 28 28 SER HA H 1 4.596 0.01 . 1 . . . A 28 SER HA . 17797 1 180 . 1 1 28 28 SER HB2 H 1 3.668 0.01 . 2 . . . A 28 SER HB2 . 17797 1 181 . 1 1 28 28 SER HB3 H 1 3.668 0.01 . 2 . . . A 28 SER HB3 . 17797 1 182 . 1 1 29 29 CYS H H 1 8.592 0.01 . 1 . . . A 29 CYS H . 17797 1 183 . 1 1 29 29 CYS HA H 1 4.846 0.01 . 1 . . . A 29 CYS HA . 17797 1 184 . 1 1 29 29 CYS HB2 H 1 2.599 0.01 . 2 . . . A 29 CYS HB2 . 17797 1 185 . 1 1 29 29 CYS HB3 H 1 2.444 0.01 . 2 . . . A 29 CYS HB3 . 17797 1 186 . 1 1 30 30 CYS H H 1 8.991 0.01 . 1 . . . A 30 CYS H . 17797 1 187 . 1 1 30 30 CYS HA H 1 5.514 0.01 . 1 . . . A 30 CYS HA . 17797 1 188 . 1 1 30 30 CYS HB2 H 1 2.711 0.01 . 2 . . . A 30 CYS HB2 . 17797 1 189 . 1 1 30 30 CYS HB3 H 1 2.536 0.01 . 2 . . . A 30 CYS HB3 . 17797 1 190 . 1 1 31 31 LYS H H 1 9.313 0.01 . 1 . . . A 31 LYS H . 17797 1 191 . 1 1 31 31 LYS HA H 1 4.746 0.01 . 1 . . . A 31 LYS HA . 17797 1 192 . 1 1 31 31 LYS HB2 H 1 1.884 0.01 . 2 . . . A 31 LYS HB2 . 17797 1 193 . 1 1 31 31 LYS HB3 H 1 1.453 0.01 . 2 . . . A 31 LYS HB3 . 17797 1 194 . 1 1 31 31 LYS HG2 H 1 1.274 0.01 . 2 . . . A 31 LYS HG2 . 17797 1 195 . 1 1 31 31 LYS HG3 H 1 1.182 0.01 . 2 . . . A 31 LYS HG3 . 17797 1 196 . 1 1 31 31 LYS HD2 H 1 1.558 0.01 . 2 . . . A 31 LYS HD2 . 17797 1 197 . 1 1 31 31 LYS HD3 H 1 1.558 0.01 . 2 . . . A 31 LYS HD3 . 17797 1 198 . 1 1 31 31 LYS HE2 H 1 2.725 0.01 . 2 . . . A 31 LYS HE2 . 17797 1 199 . 1 1 31 31 LYS HE3 H 1 2.725 0.01 . 2 . . . A 31 LYS HE3 . 17797 1 200 . 1 1 32 32 TRP H H 1 8.387 0.01 . 1 . . . A 32 TRP H . 17797 1 201 . 1 1 32 32 TRP HA H 1 4.559 0.01 . 1 . . . A 32 TRP HA . 17797 1 202 . 1 1 32 32 TRP HB2 H 1 2.399 0.01 . 2 . . . A 32 TRP HB2 . 17797 1 203 . 1 1 32 32 TRP HB3 H 1 2.171 0.01 . 2 . . . A 32 TRP HB3 . 17797 1 204 . 1 1 32 32 TRP HD1 H 1 7.251 0.01 . 1 . . . A 32 TRP HD1 . 17797 1 205 . 1 1 32 32 TRP HE1 H 1 10.152 0.01 . 1 . . . A 32 TRP HE1 . 17797 1 206 . 1 1 32 32 TRP HE3 H 1 7.534 0.01 . 1 . . . A 32 TRP HE3 . 17797 1 207 . 1 1 32 32 TRP HZ2 H 1 7.498 0.01 . 1 . . . A 32 TRP HZ2 . 17797 1 208 . 1 1 32 32 TRP HZ3 H 1 7.144 0.01 . 1 . . . A 32 TRP HZ3 . 17797 1 209 . 1 1 32 32 TRP HH2 H 1 7.219 0.01 . 1 . . . A 32 TRP HH2 . 17797 1 210 . 1 1 33 33 PRO HA H 1 4.154 0.01 . 1 . . . A 33 PRO HA . 17797 1 211 . 1 1 33 33 PRO HB2 H 1 1.944 0.01 . 2 . . . A 33 PRO HB2 . 17797 1 212 . 1 1 33 33 PRO HB3 H 1 2.222 0.01 . 2 . . . A 33 PRO HB3 . 17797 1 213 . 1 1 33 33 PRO HG2 H 1 2.056 0.01 . 2 . . . A 33 PRO HG2 . 17797 1 214 . 1 1 33 33 PRO HG3 H 1 2.054 0.01 . 2 . . . A 33 PRO HG3 . 17797 1 215 . 1 1 33 33 PRO HD2 H 1 3.941 0.01 . 2 . . . A 33 PRO HD2 . 17797 1 216 . 1 1 33 33 PRO HD3 H 1 3.453 0.01 . 2 . . . A 33 PRO HD3 . 17797 1 217 . 1 1 34 34 TRP H H 1 6.993 0.01 . 1 . . . A 34 TRP H . 17797 1 218 . 1 1 34 34 TRP HA H 1 4.763 0.01 . 1 . . . A 34 TRP HA . 17797 1 219 . 1 1 34 34 TRP HB2 H 1 3.383 0.01 . 2 . . . A 34 TRP HB2 . 17797 1 220 . 1 1 34 34 TRP HB3 H 1 3.339 0.01 . 2 . . . A 34 TRP HB3 . 17797 1 221 . 1 1 34 34 TRP HD1 H 1 7.148 0.01 . 1 . . . A 34 TRP HD1 . 17797 1 222 . 1 1 34 34 TRP HE1 H 1 10.085 0.01 . 1 . . . A 34 TRP HE1 . 17797 1 223 . 1 1 34 34 TRP HE3 H 1 7.672 0.01 . 1 . . . A 34 TRP HE3 . 17797 1 224 . 1 1 34 34 TRP HZ2 H 1 6.975 0.01 . 1 . . . A 34 TRP HZ2 . 17797 1 225 . 1 1 34 34 TRP HZ3 H 1 6.989 0.01 . 1 . . . A 34 TRP HZ3 . 17797 1 226 . 1 1 34 34 TRP HH2 H 1 7.159 0.01 . 1 . . . A 34 TRP HH2 . 17797 1 227 . 1 1 35 35 ASN H H 1 7.914 0.01 . 1 . . . A 35 ASN H . 17797 1 228 . 1 1 35 35 ASN HA H 1 4.853 0.01 . 1 . . . A 35 ASN HA . 17797 1 229 . 1 1 35 35 ASN HB2 H 1 2.797 0.01 . 2 . . . A 35 ASN HB2 . 17797 1 230 . 1 1 35 35 ASN HB3 H 1 2.556 0.01 . 2 . . . A 35 ASN HB3 . 17797 1 231 . 1 1 35 35 ASN HD21 H 1 6.968 0.01 . 2 . . . A 35 ASN HD21 . 17797 1 232 . 1 1 35 35 ASN HD22 H 1 7.580 0.01 . 2 . . . A 35 ASN HD22 . 17797 1 233 . 1 1 36 36 ALA H H 1 7.569 0.01 . 1 . . . A 36 ALA H . 17797 1 234 . 1 1 36 36 ALA HA H 1 4.024 0.01 . 1 . . . A 36 ALA HA . 17797 1 235 . 1 1 36 36 ALA HB1 H 1 1.280 0.01 . 1 . . . A 36 ALA HB1 . 17797 1 236 . 1 1 36 36 ALA HB2 H 1 1.280 0.01 . 1 . . . A 36 ALA HB2 . 17797 1 237 . 1 1 36 36 ALA HB3 H 1 1.280 0.01 . 1 . . . A 36 ALA HB3 . 17797 1 stop_ save_