################################### # 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 17798 _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' . . . 17798 1 3 '2D 1H-1H NOESY' . . . 17798 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 3.950 0.01 . 1 . . . A 1 LEU HA . 17798 1 2 . 1 1 1 1 LEU HB2 H 1 1.624 0.01 . 4 . . . A 1 LEU HB2 . 17798 1 3 . 1 1 1 1 LEU HB3 H 1 1.624 0.01 . 4 . . . A 1 LEU HB3 . 17798 1 4 . 1 1 1 1 LEU HG H 1 1.624 0.01 . 4 . . . A 1 LEU HG . 17798 1 5 . 1 1 1 1 LEU HD11 H 1 0.941 0.01 . 2 . . . A 1 LEU HD11 . 17798 1 6 . 1 1 1 1 LEU HD12 H 1 0.941 0.01 . 2 . . . A 1 LEU HD12 . 17798 1 7 . 1 1 1 1 LEU HD13 H 1 0.941 0.01 . 2 . . . A 1 LEU HD13 . 17798 1 8 . 1 1 1 1 LEU HD21 H 1 0.900 0.01 . 2 . . . A 1 LEU HD21 . 17798 1 9 . 1 1 1 1 LEU HD22 H 1 0.900 0.01 . 2 . . . A 1 LEU HD22 . 17798 1 10 . 1 1 1 1 LEU HD23 H 1 0.900 0.01 . 2 . . . A 1 LEU HD23 . 17798 1 11 . 1 1 2 2 PHE H H 1 8.888 0.01 . 1 . . . A 2 PHE H . 17798 1 12 . 1 1 2 2 PHE HA H 1 4.829 0.01 . 1 . . . A 2 PHE HA . 17798 1 13 . 1 1 2 2 PHE HB2 H 1 3.091 0.01 . 2 . . . A 2 PHE HB2 . 17798 1 14 . 1 1 2 2 PHE HB3 H 1 3.243 0.01 . 2 . . . A 2 PHE HB3 . 17798 1 15 . 1 1 2 2 PHE HD1 H 1 7.361 0.01 . 3 . . . A 2 PHE HD1 . 17798 1 16 . 1 1 2 2 PHE HD2 H 1 7.361 0.01 . 3 . . . A 2 PHE HD2 . 17798 1 17 . 1 1 2 2 PHE HE1 H 1 7.400 0.01 . 4 . . . A 2 PHE HE1 . 17798 1 18 . 1 1 2 2 PHE HE2 H 1 7.400 0.01 . 4 . . . A 2 PHE HE2 . 17798 1 19 . 1 1 2 2 PHE HZ H 1 7.400 0.01 . 4 . . . A 2 PHE HZ . 17798 1 20 . 1 1 3 3 CYS H H 1 8.428 0.01 . 1 . . . A 3 CYS H . 17798 1 21 . 1 1 3 3 CYS HA H 1 4.608 0.01 . 1 . . . A 3 CYS HA . 17798 1 22 . 1 1 3 3 CYS HB2 H 1 2.841 0.01 . 2 . . . A 3 CYS HB2 . 17798 1 23 . 1 1 3 3 CYS HB3 H 1 3.377 0.01 . 2 . . . A 3 CYS HB3 . 17798 1 24 . 1 1 4 4 LYS H H 1 8.527 0.01 . 1 . . . A 4 LYS H . 17798 1 25 . 1 1 4 4 LYS HA H 1 4.079 0.01 . 1 . . . A 4 LYS HA . 17798 1 26 . 1 1 4 4 LYS HB2 H 1 1.755 0.01 . 2 . . . A 4 LYS HB2 . 17798 1 27 . 1 1 4 4 LYS HB3 H 1 1.826 0.01 . 2 . . . A 4 LYS HB3 . 17798 1 28 . 1 1 4 4 LYS HG2 H 1 1.358 0.01 . 2 . . . A 4 LYS HG2 . 17798 1 29 . 1 1 4 4 LYS HG3 H 1 1.453 0.01 . 2 . . . A 4 LYS HG3 . 17798 1 30 . 1 1 4 4 LYS HD2 H 1 1.755 0.01 . 2 . . . A 4 LYS HD2 . 17798 1 31 . 1 1 4 4 LYS HD3 H 1 1.755 0.01 . 2 . . . A 4 LYS HD3 . 17798 1 32 . 1 1 4 4 LYS HE2 H 1 3.005 0.01 . 2 . . . A 4 LYS HE2 . 17798 1 33 . 1 1 4 4 LYS HE3 H 1 3.005 0.01 . 2 . . . A 4 LYS HE3 . 17798 1 34 . 1 1 5 5 GLY H H 1 8.773 0.01 . 1 . . . A 5 GLY H . 17798 1 35 . 1 1 5 5 GLY HA2 H 1 3.885 0.01 . 2 . . . A 5 GLY HA2 . 17798 1 36 . 1 1 5 5 GLY HA3 H 1 4.015 0.01 . 2 . . . A 5 GLY HA3 . 17798 1 37 . 1 1 6 6 GLY H H 1 7.623 0.01 . 1 . . . A 6 GLY H . 17798 1 38 . 1 1 6 6 GLY HA2 H 1 3.808 0.01 . 2 . . . A 6 GLY HA2 . 17798 1 39 . 1 1 6 6 GLY HA3 H 1 4.216 0.01 . 2 . . . A 6 GLY HA3 . 17798 1 40 . 1 1 7 7 SER H H 1 8.559 0.01 . 1 . . . A 7 SER H . 17798 1 41 . 1 1 7 7 SER HA H 1 4.961 0.01 . 1 . . . A 7 SER HA . 17798 1 42 . 1 1 7 7 SER HB2 H 1 3.789 0.01 . 2 . . . A 7 SER HB2 . 17798 1 43 . 1 1 7 7 SER HB3 H 1 3.905 0.01 . 2 . . . A 7 SER HB3 . 17798 1 44 . 1 1 8 8 CYS H H 1 8.704 0.01 . 1 . . . A 8 CYS H . 17798 1 45 . 1 1 8 8 CYS HA H 1 5.506 0.01 . 1 . . . A 8 CYS HA . 17798 1 46 . 1 1 8 8 CYS HB2 H 1 2.524 0.01 . 2 . . . A 8 CYS HB2 . 17798 1 47 . 1 1 8 8 CYS HB3 H 1 2.874 0.01 . 2 . . . A 8 CYS HB3 . 17798 1 48 . 1 1 9 9 HIS H H 1 9.649 0.01 . 1 . . . A 9 HIS H . 17798 1 49 . 1 1 9 9 HIS HA H 1 4.793 0.01 . 1 . . . A 9 HIS HA . 17798 1 50 . 1 1 9 9 HIS HB2 H 1 3.000 0.01 . 2 . . . A 9 HIS HB2 . 17798 1 51 . 1 1 9 9 HIS HB3 H 1 3.317 0.01 . 2 . . . A 9 HIS HB3 . 17798 1 52 . 1 1 9 9 HIS HD2 H 1 7.107 0.01 . 1 . . . A 9 HIS HD2 . 17798 1 53 . 1 1 9 9 HIS HE1 H 1 8.644 0.01 . 1 . . . A 9 HIS HE1 . 17798 1 54 . 1 1 10 10 PHE H H 1 9.201 0.01 . 1 . . . A 10 PHE H . 17798 1 55 . 1 1 10 10 PHE HA H 1 4.534 0.01 . 1 . . . A 10 PHE HA . 17798 1 56 . 1 1 10 10 PHE HB2 H 1 3.024 0.01 . 2 . . . A 10 PHE HB2 . 17798 1 57 . 1 1 10 10 PHE HB3 H 1 3.129 0.01 . 2 . . . A 10 PHE HB3 . 17798 1 58 . 1 1 10 10 PHE HD1 H 1 7.299 0.01 . 3 . . . A 10 PHE HD1 . 17798 1 59 . 1 1 10 10 PHE HD2 H 1 7.299 0.01 . 3 . . . A 10 PHE HD2 . 17798 1 60 . 1 1 10 10 PHE HE1 H 1 7.449 0.01 . 3 . . . A 10 PHE HE1 . 17798 1 61 . 1 1 10 10 PHE HE2 H 1 7.449 0.01 . 3 . . . A 10 PHE HE2 . 17798 1 62 . 1 1 10 10 PHE HZ H 1 7.369 0.01 . 1 . . . A 10 PHE HZ . 17798 1 63 . 1 1 11 11 GLY H H 1 8.589 0.01 . 1 . . . A 11 GLY H . 17798 1 64 . 1 1 11 11 GLY HA2 H 1 3.441 0.01 . 2 . . . A 11 GLY HA2 . 17798 1 65 . 1 1 11 11 GLY HA3 H 1 3.991 0.01 . 2 . . . A 11 GLY HA3 . 17798 1 66 . 1 1 12 12 GLY H H 1 7.998 0.01 . 1 . . . A 12 GLY H . 17798 1 67 . 1 1 12 12 GLY HA2 H 1 3.964 0.01 . 2 . . . A 12 GLY HA2 . 17798 1 68 . 1 1 12 12 GLY HA3 H 1 3.964 0.01 . 2 . . . A 12 GLY HA3 . 17798 1 69 . 1 1 13 13 CYS H H 1 8.547 0.01 . 1 . . . A 13 CYS H . 17798 1 70 . 1 1 13 13 CYS HA H 1 4.832 0.01 . 1 . . . A 13 CYS HA . 17798 1 71 . 1 1 13 13 CYS HB2 H 1 2.542 0.01 . 2 . . . A 13 CYS HB2 . 17798 1 72 . 1 1 13 13 CYS HB3 H 1 2.542 0.01 . 2 . . . A 13 CYS HB3 . 17798 1 73 . 1 1 14 14 PRO HA H 1 4.433 0.01 . 1 . . . A 14 PRO HA . 17798 1 74 . 1 1 14 14 PRO HB2 H 1 1.743 0.01 . 2 . . . A 14 PRO HB2 . 17798 1 75 . 1 1 14 14 PRO HB3 H 1 2.296 0.01 . 2 . . . A 14 PRO HB3 . 17798 1 76 . 1 1 14 14 PRO HG2 H 1 1.561 0.01 . 2 . . . A 14 PRO HG2 . 17798 1 77 . 1 1 14 14 PRO HG3 H 1 1.561 0.01 . 2 . . . A 14 PRO HG3 . 17798 1 78 . 1 1 14 14 PRO HD2 H 1 2.876 0.01 . 2 . . . A 14 PRO HD2 . 17798 1 79 . 1 1 14 14 PRO HD3 H 1 3.123 0.01 . 2 . . . A 14 PRO HD3 . 17798 1 80 . 1 1 15 15 SER H H 1 8.345 0.01 . 1 . . . A 15 SER H . 17798 1 81 . 1 1 15 15 SER HA H 1 3.967 0.01 . 1 . . . A 15 SER HA . 17798 1 82 . 1 1 15 15 SER HB2 H 1 3.689 0.01 . 2 . . . A 15 SER HB2 . 17798 1 83 . 1 1 15 15 SER HB3 H 1 3.689 0.01 . 2 . . . A 15 SER HB3 . 17798 1 84 . 1 1 16 16 HIS H H 1 8.346 0.01 . 1 . . . A 16 HIS H . 17798 1 85 . 1 1 16 16 HIS HA H 1 4.305 0.01 . 1 . . . A 16 HIS HA . 17798 1 86 . 1 1 16 16 HIS HB2 H 1 3.271 0.01 . 2 . . . A 16 HIS HB2 . 17798 1 87 . 1 1 16 16 HIS HB3 H 1 3.480 0.01 . 2 . . . A 16 HIS HB3 . 17798 1 88 . 1 1 16 16 HIS HD2 H 1 7.097 0.01 . 1 . . . A 16 HIS HD2 . 17798 1 89 . 1 1 16 16 HIS HE1 H 1 8.496 0.01 . 1 . . . A 16 HIS HE1 . 17798 1 90 . 1 1 17 17 LEU H H 1 7.712 0.01 . 1 . . . A 17 LEU H . 17798 1 91 . 1 1 17 17 LEU HA H 1 4.536 0.01 . 1 . . . A 17 LEU HA . 17798 1 92 . 1 1 17 17 LEU HB2 H 1 1.142 0.01 . 2 . . . A 17 LEU HB2 . 17798 1 93 . 1 1 17 17 LEU HB3 H 1 1.331 0.01 . 2 . . . A 17 LEU HB3 . 17798 1 94 . 1 1 17 17 LEU HG H 1 0.990 0.01 . 1 . . . A 17 LEU HG . 17798 1 95 . 1 1 17 17 LEU HD11 H 1 0.353 0.01 . 2 . . . A 17 LEU HD11 . 17798 1 96 . 1 1 17 17 LEU HD12 H 1 0.353 0.01 . 2 . . . A 17 LEU HD12 . 17798 1 97 . 1 1 17 17 LEU HD13 H 1 0.353 0.01 . 2 . . . A 17 LEU HD13 . 17798 1 98 . 1 1 17 17 LEU HD21 H 1 0.102 0.01 . 2 . . . A 17 LEU HD21 . 17798 1 99 . 1 1 17 17 LEU HD22 H 1 0.102 0.01 . 2 . . . A 17 LEU HD22 . 17798 1 100 . 1 1 17 17 LEU HD23 H 1 0.102 0.01 . 2 . . . A 17 LEU HD23 . 17798 1 101 . 1 1 18 18 ILE H H 1 8.938 0.01 . 1 . . . A 18 ILE H . 17798 1 102 . 1 1 18 18 ILE HA H 1 4.386 0.01 . 1 . . . A 18 ILE HA . 17798 1 103 . 1 1 18 18 ILE HB H 1 1.689 0.01 . 1 . . . A 18 ILE HB . 17798 1 104 . 1 1 18 18 ILE HG12 H 1 0.993 0.01 . 2 . . . A 18 ILE HG12 . 17798 1 105 . 1 1 18 18 ILE HG13 H 1 1.375 0.01 . 2 . . . A 18 ILE HG13 . 17798 1 106 . 1 1 18 18 ILE HG21 H 1 0.808 0.01 . 1 . . . A 18 ILE HG21 . 17798 1 107 . 1 1 18 18 ILE HG22 H 1 0.808 0.01 . 1 . . . A 18 ILE HG22 . 17798 1 108 . 1 1 18 18 ILE HG23 H 1 0.808 0.01 . 1 . . . A 18 ILE HG23 . 17798 1 109 . 1 1 18 18 ILE HD11 H 1 0.750 0.01 . 1 . . . A 18 ILE HD11 . 17798 1 110 . 1 1 18 18 ILE HD12 H 1 0.750 0.01 . 1 . . . A 18 ILE HD12 . 17798 1 111 . 1 1 18 18 ILE HD13 H 1 0.750 0.01 . 1 . . . A 18 ILE HD13 . 17798 1 112 . 1 1 19 19 LYS H H 1 8.725 0.01 . 1 . . . A 19 LYS H . 17798 1 113 . 1 1 19 19 LYS HA H 1 4.804 0.01 . 1 . . . A 19 LYS HA . 17798 1 114 . 1 1 19 19 LYS HB2 H 1 1.685 0.01 . 2 . . . A 19 LYS HB2 . 17798 1 115 . 1 1 19 19 LYS HB3 H 1 1.919 0.01 . 2 . . . A 19 LYS HB3 . 17798 1 116 . 1 1 19 19 LYS HG2 H 1 1.377 0.01 . 2 . . . A 19 LYS HG2 . 17798 1 117 . 1 1 19 19 LYS HG3 H 1 1.377 0.01 . 2 . . . A 19 LYS HG3 . 17798 1 118 . 1 1 19 19 LYS HD2 H 1 1.547 0.01 . 2 . . . A 19 LYS HD2 . 17798 1 119 . 1 1 19 19 LYS HD3 H 1 1.547 0.01 . 2 . . . A 19 LYS HD3 . 17798 1 120 . 1 1 19 19 LYS HE2 H 1 2.918 0.01 . 2 . . . A 19 LYS HE2 . 17798 1 121 . 1 1 19 19 LYS HE3 H 1 2.918 0.01 . 2 . . . A 19 LYS HE3 . 17798 1 122 . 1 1 20 20 VAL H H 1 8.753 0.01 . 1 . . . A 20 VAL H . 17798 1 123 . 1 1 20 20 VAL HA H 1 4.580 0.01 . 1 . . . A 20 VAL HA . 17798 1 124 . 1 1 20 20 VAL HB H 1 2.359 0.01 . 1 . . . A 20 VAL HB . 17798 1 125 . 1 1 20 20 VAL HG11 H 1 0.574 0.01 . 2 . . . A 20 VAL HG11 . 17798 1 126 . 1 1 20 20 VAL HG12 H 1 0.574 0.01 . 2 . . . A 20 VAL HG12 . 17798 1 127 . 1 1 20 20 VAL HG13 H 1 0.574 0.01 . 2 . . . A 20 VAL HG13 . 17798 1 128 . 1 1 20 20 VAL HG21 H 1 0.868 0.01 . 2 . . . A 20 VAL HG21 . 17798 1 129 . 1 1 20 20 VAL HG22 H 1 0.868 0.01 . 2 . . . A 20 VAL HG22 . 17798 1 130 . 1 1 20 20 VAL HG23 H 1 0.868 0.01 . 2 . . . A 20 VAL HG23 . 17798 1 131 . 1 1 21 21 GLY H H 1 7.544 0.01 . 1 . . . A 21 GLY H . 17798 1 132 . 1 1 21 21 GLY HA2 H 1 4.052 0.01 . 2 . . . A 21 GLY HA2 . 17798 1 133 . 1 1 21 21 GLY HA3 H 1 4.344 0.01 . 2 . . . A 21 GLY HA3 . 17798 1 134 . 1 1 22 22 SER H H 1 8.936 0.01 . 1 . . . A 22 SER H . 17798 1 135 . 1 1 22 22 SER HA H 1 5.060 0.01 . 1 . . . A 22 SER HA . 17798 1 136 . 1 1 22 22 SER HB2 H 1 3.788 0.01 . 2 . . . A 22 SER HB2 . 17798 1 137 . 1 1 22 22 SER HB3 H 1 3.908 0.01 . 2 . . . A 22 SER HB3 . 17798 1 138 . 1 1 23 23 CYS H H 1 8.014 0.01 . 1 . . . A 23 CYS H . 17798 1 139 . 1 1 23 23 CYS HA H 1 4.868 0.01 . 1 . . . A 23 CYS HA . 17798 1 140 . 1 1 23 23 CYS HB2 H 1 3.182 0.01 . 2 . . . A 23 CYS HB2 . 17798 1 141 . 1 1 23 23 CYS HB3 H 1 3.182 0.01 . 2 . . . A 23 CYS HB3 . 17798 1 142 . 1 1 24 24 PHE H H 1 8.236 0.01 . 1 . . . A 24 PHE H . 17798 1 143 . 1 1 24 24 PHE HA H 1 4.273 0.01 . 1 . . . A 24 PHE HA . 17798 1 144 . 1 1 24 24 PHE HB2 H 1 2.988 0.01 . 2 . . . A 24 PHE HB2 . 17798 1 145 . 1 1 24 24 PHE HB3 H 1 3.085 0.01 . 2 . . . A 24 PHE HB3 . 17798 1 146 . 1 1 24 24 PHE HD1 H 1 7.212 0.01 . 3 . . . A 24 PHE HD1 . 17798 1 147 . 1 1 24 24 PHE HD2 H 1 7.212 0.01 . 3 . . . A 24 PHE HD2 . 17798 1 148 . 1 1 24 24 PHE HE1 H 1 7.360 0.01 . 3 . . . A 24 PHE HE1 . 17798 1 149 . 1 1 24 24 PHE HE2 H 1 7.360 0.01 . 3 . . . A 24 PHE HE2 . 17798 1 150 . 1 1 24 24 PHE HZ H 1 7.330 0.01 . 1 . . . A 24 PHE HZ . 17798 1 151 . 1 1 25 25 GLY H H 1 8.311 0.01 . 1 . . . A 25 GLY H . 17798 1 152 . 1 1 25 25 GLY HA2 H 1 3.395 0.01 . 2 . . . A 25 GLY HA2 . 17798 1 153 . 1 1 25 25 GLY HA3 H 1 3.755 0.01 . 2 . . . A 25 GLY HA3 . 17798 1 154 . 1 1 26 26 PHE H H 1 8.317 0.01 . 1 . . . A 26 PHE H . 17798 1 155 . 1 1 26 26 PHE HA H 1 4.463 0.01 . 1 . . . A 26 PHE HA . 17798 1 156 . 1 1 26 26 PHE HB2 H 1 3.215 0.01 . 2 . . . A 26 PHE HB2 . 17798 1 157 . 1 1 26 26 PHE HB3 H 1 3.344 0.01 . 2 . . . A 26 PHE HB3 . 17798 1 158 . 1 1 26 26 PHE HD1 H 1 7.230 0.01 . 3 . . . A 26 PHE HD1 . 17798 1 159 . 1 1 26 26 PHE HD2 H 1 7.230 0.01 . 3 . . . A 26 PHE HD2 . 17798 1 160 . 1 1 26 26 PHE HE1 H 1 7.357 0.01 . 3 . . . A 26 PHE HE1 . 17798 1 161 . 1 1 26 26 PHE HE2 H 1 7.357 0.01 . 3 . . . A 26 PHE HE2 . 17798 1 162 . 1 1 26 26 PHE HZ H 1 7.338 0.01 . 1 . . . A 26 PHE HZ . 17798 1 163 . 1 1 27 27 ARG H H 1 7.172 0.01 . 1 . . . A 27 ARG H . 17798 1 164 . 1 1 27 27 ARG HA H 1 4.731 0.01 . 1 . . . A 27 ARG HA . 17798 1 165 . 1 1 27 27 ARG HB2 H 1 1.517 0.01 . 2 . . . A 27 ARG HB2 . 17798 1 166 . 1 1 27 27 ARG HB3 H 1 1.517 0.01 . 2 . . . A 27 ARG HB3 . 17798 1 167 . 1 1 27 27 ARG HG2 H 1 1.132 0.01 . 2 . . . A 27 ARG HG2 . 17798 1 168 . 1 1 27 27 ARG HG3 H 1 1.623 0.01 . 2 . . . A 27 ARG HG3 . 17798 1 169 . 1 1 27 27 ARG HD2 H 1 2.778 0.01 . 2 . . . A 27 ARG HD2 . 17798 1 170 . 1 1 27 27 ARG HD3 H 1 2.778 0.01 . 2 . . . A 27 ARG HD3 . 17798 1 171 . 1 1 27 27 ARG HE H 1 6.985 0.01 . 1 . . . A 27 ARG HE . 17798 1 172 . 1 1 28 28 SER H H 1 9.075 0.01 . 1 . . . A 28 SER H . 17798 1 173 . 1 1 28 28 SER HA H 1 4.716 0.01 . 1 . . . A 28 SER HA . 17798 1 174 . 1 1 28 28 SER HB2 H 1 3.659 0.01 . 2 . . . A 28 SER HB2 . 17798 1 175 . 1 1 28 28 SER HB3 H 1 3.659 0.01 . 2 . . . A 28 SER HB3 . 17798 1 176 . 1 1 29 29 CYS H H 1 8.671 0.01 . 1 . . . A 29 CYS H . 17798 1 177 . 1 1 29 29 CYS HA H 1 4.819 0.01 . 1 . . . A 29 CYS HA . 17798 1 178 . 1 1 29 29 CYS HB2 H 1 2.405 0.01 . 2 . . . A 29 CYS HB2 . 17798 1 179 . 1 1 29 29 CYS HB3 H 1 2.471 0.01 . 2 . . . A 29 CYS HB3 . 17798 1 180 . 1 1 30 30 CYS H H 1 9.014 0.01 . 1 . . . A 30 CYS H . 17798 1 181 . 1 1 30 30 CYS HA H 1 5.522 0.01 . 1 . . . A 30 CYS HA . 17798 1 182 . 1 1 30 30 CYS HB2 H 1 2.637 0.01 . 2 . . . A 30 CYS HB2 . 17798 1 183 . 1 1 30 30 CYS HB3 H 1 2.637 0.01 . 2 . . . A 30 CYS HB3 . 17798 1 184 . 1 1 31 31 ALA H H 1 9.668 0.01 . 1 . . . A 31 ALA H . 17798 1 185 . 1 1 31 31 ALA HA H 1 4.824 0.01 . 1 . . . A 31 ALA HA . 17798 1 186 . 1 1 31 31 ALA HB1 H 1 1.390 0.01 . 1 . . . A 31 ALA HB1 . 17798 1 187 . 1 1 31 31 ALA HB2 H 1 1.390 0.01 . 1 . . . A 31 ALA HB2 . 17798 1 188 . 1 1 31 31 ALA HB3 H 1 1.390 0.01 . 1 . . . A 31 ALA HB3 . 17798 1 189 . 1 1 32 32 TRP H H 1 8.444 0.01 . 1 . . . A 32 TRP H . 17798 1 190 . 1 1 32 32 TRP HA H 1 4.675 0.01 . 1 . . . A 32 TRP HA . 17798 1 191 . 1 1 32 32 TRP HB2 H 1 2.588 0.01 . 2 . . . A 32 TRP HB2 . 17798 1 192 . 1 1 32 32 TRP HB3 H 1 2.647 0.01 . 2 . . . A 32 TRP HB3 . 17798 1 193 . 1 1 32 32 TRP HD1 H 1 7.205 0.01 . 1 . . . A 32 TRP HD1 . 17798 1 194 . 1 1 32 32 TRP HE1 H 1 10.149 0.01 . 1 . . . A 32 TRP HE1 . 17798 1 195 . 1 1 32 32 TRP HE3 H 1 7.545 0.01 . 1 . . . A 32 TRP HE3 . 17798 1 196 . 1 1 32 32 TRP HZ2 H 1 7.499 0.01 . 1 . . . A 32 TRP HZ2 . 17798 1 197 . 1 1 32 32 TRP HZ3 H 1 7.129 0.01 . 1 . . . A 32 TRP HZ3 . 17798 1 198 . 1 1 32 32 TRP HH2 H 1 7.220 0.01 . 1 . . . A 32 TRP HH2 . 17798 1 199 . 1 1 33 33 PRO HA H 1 4.255 0.01 . 1 . . . A 33 PRO HA . 17798 1 200 . 1 1 33 33 PRO HB2 H 1 2.158 0.01 . 2 . . . A 33 PRO HB2 . 17798 1 201 . 1 1 33 33 PRO HB3 H 1 2.158 0.01 . 2 . . . A 33 PRO HB3 . 17798 1 202 . 1 1 33 33 PRO HG2 H 1 1.892 0.01 . 2 . . . A 33 PRO HG2 . 17798 1 203 . 1 1 33 33 PRO HG3 H 1 1.892 0.01 . 2 . . . A 33 PRO HG3 . 17798 1 204 . 1 1 33 33 PRO HD2 H 1 3.380 0.01 . 2 . . . A 33 PRO HD2 . 17798 1 205 . 1 1 33 33 PRO HD3 H 1 3.380 0.01 . 2 . . . A 33 PRO HD3 . 17798 1 206 . 1 1 34 34 TRP H H 1 7.301 0.01 . 1 . . . A 34 TRP H . 17798 1 207 . 1 1 34 34 TRP HA H 1 4.732 0.01 . 1 . . . A 34 TRP HA . 17798 1 208 . 1 1 34 34 TRP HB2 H 1 3.321 0.01 . 2 . . . A 34 TRP HB2 . 17798 1 209 . 1 1 34 34 TRP HB3 H 1 3.321 0.01 . 2 . . . A 34 TRP HB3 . 17798 1 210 . 1 1 34 34 TRP HD1 H 1 7.166 0.01 . 1 . . . A 34 TRP HD1 . 17798 1 211 . 1 1 34 34 TRP HE1 H 1 10.151 0.01 . 1 . . . A 34 TRP HE1 . 17798 1 212 . 1 1 34 34 TRP HE3 H 1 7.625 0.01 . 1 . . . A 34 TRP HE3 . 17798 1 213 . 1 1 34 34 TRP HZ2 H 1 7.055 0.01 . 1 . . . A 34 TRP HZ2 . 17798 1 214 . 1 1 34 34 TRP HZ3 H 1 7.111 0.01 . 1 . . . A 34 TRP HZ3 . 17798 1 215 . 1 1 34 34 TRP HH2 H 1 7.161 0.01 . 1 . . . A 34 TRP HH2 . 17798 1 216 . 1 1 35 35 ASN H H 1 8.049 0.01 . 1 . . . A 35 ASN H . 17798 1 217 . 1 1 35 35 ASN HA H 1 4.789 0.01 . 1 . . . A 35 ASN HA . 17798 1 218 . 1 1 35 35 ASN HB2 H 1 2.586 0.01 . 2 . . . A 35 ASN HB2 . 17798 1 219 . 1 1 35 35 ASN HB3 H 1 2.725 0.01 . 2 . . . A 35 ASN HB3 . 17798 1 220 . 1 1 35 35 ASN HD21 H 1 7.614 0.01 . 2 . . . A 35 ASN HD21 . 17798 1 221 . 1 1 35 35 ASN HD22 H 1 6.924 0.01 . 2 . . . A 35 ASN HD22 . 17798 1 222 . 1 1 36 36 ALA H H 1 7.638 0.01 . 1 . . . A 36 ALA H . 17798 1 223 . 1 1 36 36 ALA HA H 1 4.095 0.01 . 1 . . . A 36 ALA HA . 17798 1 224 . 1 1 36 36 ALA HB1 H 1 1.302 0.01 . 1 . . . A 36 ALA HB1 . 17798 1 225 . 1 1 36 36 ALA HB2 H 1 1.302 0.01 . 1 . . . A 36 ALA HB2 . 17798 1 226 . 1 1 36 36 ALA HB3 H 1 1.302 0.01 . 1 . . . A 36 ALA HB3 . 17798 1 stop_ save_