################################### # 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 30165 _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 NOESY' . . . 30165 1 2 '2D TOCSY' . . . 30165 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 GLY H H 1 7.781 0.04 . 1 . . . A 1 GLY H . 30165 1 2 . 1 1 1 1 GLY HA2 H 1 4.060 0.04 . 2 . . . A 1 GLY HA2 . 30165 1 3 . 1 1 1 1 GLY HA3 H 1 3.385 0.04 . 2 . . . A 1 GLY HA3 . 30165 1 4 . 1 1 2 2 GLY H H 1 8.842 0.04 . 1 . . . A 2 GLY H . 30165 1 5 . 1 1 2 2 GLY HA2 H 1 4.123 0.04 . 2 . . . A 2 GLY HA2 . 30165 1 6 . 1 1 2 2 GLY HA3 H 1 3.727 0.04 . 2 . . . A 2 GLY HA3 . 30165 1 7 . 1 1 3 3 ALA H H 1 8.442 0.04 . 1 . . . A 3 ALA H . 30165 1 8 . 1 1 3 3 ALA HA H 1 4.589 0.04 . 1 . . . A 3 ALA HA . 30165 1 9 . 1 1 3 3 ALA HB1 H 1 1.209 0.04 . 1 . . . A 3 ALA HB1 . 30165 1 10 . 1 1 3 3 ALA HB2 H 1 1.209 0.04 . 1 . . . A 3 ALA HB2 . 30165 1 11 . 1 1 3 3 ALA HB3 H 1 1.209 0.04 . 1 . . . A 3 ALA HB3 . 30165 1 12 . 1 1 4 4 GLY H H 1 7.858 0.04 . 1 . . . A 4 GLY H . 30165 1 13 . 1 1 4 4 GLY HA2 H 1 3.940 0.04 . 2 . . . A 4 GLY HA2 . 30165 1 14 . 1 1 4 4 GLY HA3 H 1 3.410 0.04 . 2 . . . A 4 GLY HA3 . 30165 1 15 . 1 1 5 5 HIS HA H 1 4.306 0.04 . 1 . . . A 5 HIS HA . 30165 1 16 . 1 1 5 5 HIS HB2 H 1 3.119 0.04 . 2 . . . A 5 HIS HB2 . 30165 1 17 . 1 1 5 5 HIS HB3 H 1 2.980 0.04 . 2 . . . A 5 HIS HB3 . 30165 1 18 . 1 1 5 5 HIS HD2 H 1 7.180 0.04 . 1 . . . A 5 HIS HD2 . 30165 1 19 . 1 1 6 6 VAL H H 1 8.820 0.04 . 1 . . . A 6 VAL H . 30165 1 20 . 1 1 6 6 VAL HA H 1 4.614 0.04 . 1 . . . A 6 VAL HA . 30165 1 21 . 1 1 6 6 VAL HB H 1 1.843 0.04 . 1 . . . A 6 VAL HB . 30165 1 22 . 1 1 6 6 VAL HG11 H 1 0.762 0.04 . 2 . . . A 6 VAL HG11 . 30165 1 23 . 1 1 6 6 VAL HG12 H 1 0.762 0.04 . 2 . . . A 6 VAL HG12 . 30165 1 24 . 1 1 6 6 VAL HG13 H 1 0.762 0.04 . 2 . . . A 6 VAL HG13 . 30165 1 25 . 1 1 6 6 VAL HG21 H 1 0.996 0.04 . 2 . . . A 6 VAL HG21 . 30165 1 26 . 1 1 6 6 VAL HG22 H 1 0.996 0.04 . 2 . . . A 6 VAL HG22 . 30165 1 27 . 1 1 6 6 VAL HG23 H 1 0.996 0.04 . 2 . . . A 6 VAL HG23 . 30165 1 28 . 1 1 7 7 PRO HA H 1 4.014 0.04 . 1 . . . A 7 PRO HA . 30165 1 29 . 1 1 7 7 PRO HB2 H 1 1.801 0.04 . 2 . . . A 7 PRO HB2 . 30165 1 30 . 1 1 7 7 PRO HB3 H 1 2.001 0.04 . 2 . . . A 7 PRO HB3 . 30165 1 31 . 1 1 7 7 PRO HG2 H 1 1.415 0.04 . 1 . . . A 7 PRO HG2 . 30165 1 32 . 1 1 7 7 PRO HG3 H 1 1.415 0.04 . 1 . . . A 7 PRO HG3 . 30165 1 33 . 1 1 7 7 PRO HD2 H 1 3.722 0.04 . 2 . . . A 7 PRO HD2 . 30165 1 34 . 1 1 7 7 PRO HD3 H 1 3.208 0.04 . 2 . . . A 7 PRO HD3 . 30165 1 35 . 1 1 8 8 GLU HB2 H 1 1.357 0.04 . 2 . . . A 8 GLU HB2 . 30165 1 36 . 1 1 8 8 GLU HB3 H 1 1.288 0.04 . 2 . . . A 8 GLU HB3 . 30165 1 37 . 1 1 8 8 GLU HG2 H 1 1.607 0.04 . 2 . . . A 8 GLU HG2 . 30165 1 38 . 1 1 8 8 GLU HG3 H 1 1.503 0.04 . 2 . . . A 8 GLU HG3 . 30165 1 39 . 1 1 9 9 TYR HA H 1 4.435 0.04 . 1 . . . A 9 TYR HA . 30165 1 40 . 1 1 9 9 TYR HB2 H 1 2.755 0.04 . 2 . . . A 9 TYR HB2 . 30165 1 41 . 1 1 9 9 TYR HB3 H 1 2.576 0.04 . 2 . . . A 9 TYR HB3 . 30165 1 42 . 1 1 9 9 TYR HD1 H 1 6.797 0.04 . 3 . . . A 9 TYR HD1 . 30165 1 43 . 1 1 9 9 TYR HD2 H 1 6.797 0.04 . 3 . . . A 9 TYR HD2 . 30165 1 44 . 1 1 9 9 TYR HE1 H 1 6.521 0.04 . 3 . . . A 9 TYR HE1 . 30165 1 45 . 1 1 9 9 TYR HE2 H 1 6.521 0.04 . 3 . . . A 9 TYR HE2 . 30165 1 46 . 1 1 10 10 PHE H H 1 8.025 0.04 . 1 . . . A 10 PHE H . 30165 1 47 . 1 1 10 10 PHE HA H 1 4.505 0.04 . 1 . . . A 10 PHE HA . 30165 1 48 . 1 1 10 10 PHE HB2 H 1 2.779 0.04 . 2 . . . A 10 PHE HB2 . 30165 1 49 . 1 1 10 10 PHE HB3 H 1 2.650 0.04 . 2 . . . A 10 PHE HB3 . 30165 1 50 . 1 1 10 10 PHE HD1 H 1 6.880 0.04 . 3 . . . A 10 PHE HD1 . 30165 1 51 . 1 1 10 10 PHE HD2 H 1 6.880 0.04 . 3 . . . A 10 PHE HD2 . 30165 1 52 . 1 1 10 10 PHE HE1 H 1 7.002 0.04 . 3 . . . A 10 PHE HE1 . 30165 1 53 . 1 1 10 10 PHE HE2 H 1 7.002 0.04 . 3 . . . A 10 PHE HE2 . 30165 1 54 . 1 1 11 11 VAL H H 1 8.005 0.04 . 1 . . . A 11 VAL H . 30165 1 55 . 1 1 11 11 VAL HA H 1 3.873 0.04 . 1 . . . A 11 VAL HA . 30165 1 56 . 1 1 11 11 VAL HB H 1 1.780 0.04 . 1 . . . A 11 VAL HB . 30165 1 57 . 1 1 11 11 VAL HG11 H 1 0.726 0.04 . 1 . . . A 11 VAL HG11 . 30165 1 58 . 1 1 11 11 VAL HG12 H 1 0.726 0.04 . 1 . . . A 11 VAL HG12 . 30165 1 59 . 1 1 11 11 VAL HG13 H 1 0.726 0.04 . 1 . . . A 11 VAL HG13 . 30165 1 60 . 1 1 11 11 VAL HG21 H 1 0.726 0.04 . 1 . . . A 11 VAL HG21 . 30165 1 61 . 1 1 11 11 VAL HG22 H 1 0.726 0.04 . 1 . . . A 11 VAL HG22 . 30165 1 62 . 1 1 11 11 VAL HG23 H 1 0.726 0.04 . 1 . . . A 11 VAL HG23 . 30165 1 63 . 1 1 12 12 ARG H H 1 7.914 0.04 . 1 . . . A 12 ARG H . 30165 1 64 . 1 1 12 12 ARG HA H 1 4.025 0.04 . 1 . . . A 12 ARG HA . 30165 1 65 . 1 1 12 12 ARG HB2 H 1 1.675 0.04 . 2 . . . A 12 ARG HB2 . 30165 1 66 . 1 1 12 12 ARG HB3 H 1 1.552 0.04 . 2 . . . A 12 ARG HB3 . 30165 1 67 . 1 1 12 12 ARG HG2 H 1 1.424 0.04 . 1 . . . A 12 ARG HG2 . 30165 1 68 . 1 1 12 12 ARG HG3 H 1 1.424 0.04 . 1 . . . A 12 ARG HG3 . 30165 1 69 . 1 1 12 12 ARG HD2 H 1 2.984 0.04 . 1 . . . A 12 ARG HD2 . 30165 1 70 . 1 1 12 12 ARG HD3 H 1 2.984 0.04 . 1 . . . A 12 ARG HD3 . 30165 1 71 . 1 1 12 12 ARG HE H 1 7.037 0.04 . 1 . . . A 12 ARG HE . 30165 1 72 . 2 2 1 1 CYS HA H 1 4.149 0.04 . 1 . . . B 13 CYS HA . 30165 1 73 . 2 2 1 1 CYS HB2 H 1 3.212 0.04 . 2 . . . B 13 CYS HB2 . 30165 1 74 . 2 2 1 1 CYS HB3 H 1 2.968 0.04 . 2 . . . B 13 CYS HB3 . 30165 1 75 . 2 2 2 2 GLY H H 1 8.668 0.04 . 1 . . . B 14 GLY H . 30165 1 76 . 2 2 2 2 GLY HA2 H 1 4.048 0.04 . 2 . . . B 14 GLY HA2 . 30165 1 77 . 2 2 2 2 GLY HA3 H 1 3.881 0.04 . 2 . . . B 14 GLY HA3 . 30165 1 78 . 2 2 3 3 THR H H 1 8.223 0.04 . 1 . . . B 15 THR H . 30165 1 79 . 2 2 3 3 THR HA H 1 4.503 0.04 . 1 . . . B 15 THR HA . 30165 1 80 . 2 2 3 3 THR HB H 1 3.976 0.04 . 1 . . . B 15 THR HB . 30165 1 81 . 2 2 3 3 THR HG21 H 1 1.111 0.04 . 1 . . . B 15 THR HG21 . 30165 1 82 . 2 2 3 3 THR HG22 H 1 1.111 0.04 . 1 . . . B 15 THR HG22 . 30165 1 83 . 2 2 3 3 THR HG23 H 1 1.111 0.04 . 1 . . . B 15 THR HG23 . 30165 1 84 . 2 2 4 4 PRO HA H 1 4.254 0.04 . 1 . . . B 16 PRO HA . 30165 1 85 . 2 2 4 4 PRO HB2 H 1 1.838 0.04 . 2 . . . B 16 PRO HB2 . 30165 1 86 . 2 2 4 4 PRO HB3 H 1 1.708 0.04 . 2 . . . B 16 PRO HB3 . 30165 1 87 . 2 2 4 4 PRO HG2 H 1 1.582 0.04 . 2 . . . B 16 PRO HG2 . 30165 1 88 . 2 2 4 4 PRO HG3 H 1 1.582 0.04 . 2 . . . B 16 PRO HG3 . 30165 1 89 . 2 2 4 4 PRO HD2 H 1 3.745 0.04 . 2 . . . B 16 PRO HD2 . 30165 1 90 . 2 2 4 4 PRO HD3 H 1 3.580 0.04 . 2 . . . B 16 PRO HD3 . 30165 1 91 . 2 2 5 5 ILE H H 1 8.054 0.04 . 1 . . . B 17 ILE H . 30165 1 92 . 2 2 5 5 ILE HA H 1 4.060 0.04 . 1 . . . B 17 ILE HA . 30165 1 93 . 2 2 5 5 ILE HB H 1 1.678 0.04 . 1 . . . B 17 ILE HB . 30165 1 94 . 2 2 5 5 ILE HG13 H 1 1.211 0.04 . 2 . . . B 17 ILE HG13 . 30165 1 95 . 2 2 5 5 ILE HG21 H 1 0.661 0.04 . 1 . . . B 17 ILE HG21 . 30165 1 96 . 2 2 5 5 ILE HG22 H 1 0.661 0.04 . 1 . . . B 17 ILE HG22 . 30165 1 97 . 2 2 5 5 ILE HG23 H 1 0.661 0.04 . 1 . . . B 17 ILE HG23 . 30165 1 98 . 2 2 5 5 ILE HD11 H 1 0.661 0.04 . 1 . . . B 17 ILE HD11 . 30165 1 99 . 2 2 5 5 ILE HD12 H 1 0.661 0.04 . 1 . . . B 17 ILE HD12 . 30165 1 100 . 2 2 5 5 ILE HD13 H 1 0.661 0.04 . 1 . . . B 17 ILE HD13 . 30165 1 101 . 2 2 6 6 SER HA H 1 4.253 0.04 . 1 . . . B 18 SER HA . 30165 1 102 . 2 2 6 6 SER HB2 H 1 3.744 0.04 . 2 . . . B 18 SER HB2 . 30165 1 103 . 2 2 6 6 SER HB3 H 1 3.660 0.04 . 2 . . . B 18 SER HB3 . 30165 1 104 . 2 2 7 7 PHE H H 1 8.636 0.04 . 1 . . . B 19 PHE H . 30165 1 105 . 2 2 7 7 PHE HA H 1 5.150 0.04 . 1 . . . B 19 PHE HA . 30165 1 106 . 2 2 7 7 PHE HB2 H 1 2.486 0.04 . 2 . . . B 19 PHE HB2 . 30165 1 107 . 2 2 7 7 PHE HB3 H 1 2.330 0.04 . 2 . . . B 19 PHE HB3 . 30165 1 108 . 2 2 7 7 PHE HD1 H 1 6.692 0.04 . 3 . . . B 19 PHE HD1 . 30165 1 109 . 2 2 7 7 PHE HD2 H 1 6.692 0.04 . 3 . . . B 19 PHE HD2 . 30165 1 110 . 2 2 7 7 PHE HE1 H 1 7.016 0.04 . 3 . . . B 19 PHE HE1 . 30165 1 111 . 2 2 7 7 PHE HE2 H 1 7.016 0.04 . 3 . . . B 19 PHE HE2 . 30165 1 112 . 2 2 8 8 TYR H H 1 9.398 0.04 . 1 . . . B 20 TYR H . 30165 1 113 . 2 2 8 8 TYR HA H 1 4.556 0.04 . 1 . . . B 20 TYR HA . 30165 1 114 . 2 2 8 8 TYR HB2 H 1 2.912 0.04 . 1 . . . B 20 TYR HB2 . 30165 1 115 . 2 2 8 8 TYR HB3 H 1 2.912 0.04 . 1 . . . B 20 TYR HB3 . 30165 1 116 . 2 2 8 8 TYR HD1 H 1 6.948 0.04 . 3 . . . B 20 TYR HD1 . 30165 1 117 . 2 2 8 8 TYR HD2 H 1 6.948 0.04 . 3 . . . B 20 TYR HD2 . 30165 1 118 . 2 2 8 8 TYR HE1 H 1 6.690 0.04 . 3 . . . B 20 TYR HE1 . 30165 1 119 . 2 2 8 8 TYR HE2 H 1 6.690 0.04 . 3 . . . B 20 TYR HE2 . 30165 1 120 . 3 1 1 1 GLY H H 1 7.781 0.04 . 1 . . . C 22 GLY H . 30165 1 121 . 3 1 1 1 GLY HA2 H 1 4.060 0.04 . 2 . . . C 22 GLY HA2 . 30165 1 122 . 3 1 1 1 GLY HA3 H 1 3.385 0.04 . 2 . . . C 22 GLY HA3 . 30165 1 123 . 3 1 2 2 GLY H H 1 8.842 0.04 . 1 . . . C 23 GLY H . 30165 1 124 . 3 1 2 2 GLY HA2 H 1 4.123 0.04 . 2 . . . C 23 GLY HA2 . 30165 1 125 . 3 1 2 2 GLY HA3 H 1 3.727 0.04 . 2 . . . C 23 GLY HA3 . 30165 1 126 . 3 1 3 3 ALA H H 1 8.442 0.04 . 1 . . . C 24 ALA H . 30165 1 127 . 3 1 3 3 ALA HA H 1 4.589 0.04 . 1 . . . C 24 ALA HA . 30165 1 128 . 3 1 3 3 ALA HB1 H 1 1.209 0.04 . 1 . . . C 24 ALA HB1 . 30165 1 129 . 3 1 3 3 ALA HB2 H 1 1.209 0.04 . 1 . . . C 24 ALA HB2 . 30165 1 130 . 3 1 3 3 ALA HB3 H 1 1.209 0.04 . 1 . . . C 24 ALA HB3 . 30165 1 131 . 3 1 4 4 GLY H H 1 7.858 0.04 . 1 . . . C 25 GLY H . 30165 1 132 . 3 1 4 4 GLY HA2 H 1 3.940 0.04 . 2 . . . C 25 GLY HA2 . 30165 1 133 . 3 1 4 4 GLY HA3 H 1 3.410 0.04 . 2 . . . C 25 GLY HA3 . 30165 1 134 . 3 1 5 5 HIS HA H 1 4.306 0.04 . 1 . . . C 26 HIS HA . 30165 1 135 . 3 1 5 5 HIS HB2 H 1 3.119 0.04 . 2 . . . C 26 HIS HB2 . 30165 1 136 . 3 1 5 5 HIS HB3 H 1 2.980 0.04 . 2 . . . C 26 HIS HB3 . 30165 1 137 . 3 1 5 5 HIS HD2 H 1 7.180 0.04 . 1 . . . C 26 HIS HD2 . 30165 1 138 . 3 1 6 6 VAL H H 1 8.820 0.04 . 1 . . . C 27 VAL H . 30165 1 139 . 3 1 6 6 VAL HA H 1 4.614 0.04 . 1 . . . C 27 VAL HA . 30165 1 140 . 3 1 6 6 VAL HB H 1 1.843 0.04 . 1 . . . C 27 VAL HB . 30165 1 141 . 3 1 6 6 VAL HG11 H 1 0.762 0.04 . 2 . . . C 27 VAL HG11 . 30165 1 142 . 3 1 6 6 VAL HG12 H 1 0.762 0.04 . 2 . . . C 27 VAL HG12 . 30165 1 143 . 3 1 6 6 VAL HG13 H 1 0.762 0.04 . 2 . . . C 27 VAL HG13 . 30165 1 144 . 3 1 6 6 VAL HG21 H 1 0.996 0.04 . 2 . . . C 27 VAL HG21 . 30165 1 145 . 3 1 6 6 VAL HG22 H 1 0.996 0.04 . 2 . . . C 27 VAL HG22 . 30165 1 146 . 3 1 6 6 VAL HG23 H 1 0.996 0.04 . 2 . . . C 27 VAL HG23 . 30165 1 147 . 3 1 7 7 PRO HA H 1 4.014 0.04 . 1 . . . C 28 PRO HA . 30165 1 148 . 3 1 7 7 PRO HB2 H 1 1.801 0.04 . 2 . . . C 28 PRO HB2 . 30165 1 149 . 3 1 7 7 PRO HB3 H 1 2.001 0.04 . 2 . . . C 28 PRO HB3 . 30165 1 150 . 3 1 7 7 PRO HG2 H 1 1.415 0.04 . 1 . . . C 28 PRO HG2 . 30165 1 151 . 3 1 7 7 PRO HG3 H 1 1.415 0.04 . 1 . . . C 28 PRO HG3 . 30165 1 152 . 3 1 7 7 PRO HD2 H 1 3.722 0.04 . 2 . . . C 28 PRO HD2 . 30165 1 153 . 3 1 7 7 PRO HD3 H 1 3.208 0.04 . 2 . . . C 28 PRO HD3 . 30165 1 154 . 3 1 8 8 GLU HB2 H 1 1.357 0.04 . 2 . . . C 29 GLU HB2 . 30165 1 155 . 3 1 8 8 GLU HB3 H 1 1.288 0.04 . 2 . . . C 29 GLU HB3 . 30165 1 156 . 3 1 8 8 GLU HG2 H 1 1.607 0.04 . 2 . . . C 29 GLU HG2 . 30165 1 157 . 3 1 8 8 GLU HG3 H 1 1.503 0.04 . 2 . . . C 29 GLU HG3 . 30165 1 158 . 3 1 9 9 TYR HA H 1 4.435 0.04 . 1 . . . C 30 TYR HA . 30165 1 159 . 3 1 9 9 TYR HB2 H 1 2.755 0.04 . 2 . . . C 30 TYR HB2 . 30165 1 160 . 3 1 9 9 TYR HB3 H 1 2.576 0.04 . 2 . . . C 30 TYR HB3 . 30165 1 161 . 3 1 9 9 TYR HD1 H 1 6.797 0.04 . 3 . . . C 30 TYR HD1 . 30165 1 162 . 3 1 9 9 TYR HD2 H 1 6.797 0.04 . 3 . . . C 30 TYR HD2 . 30165 1 163 . 3 1 9 9 TYR HE1 H 1 6.521 0.04 . 3 . . . C 30 TYR HE1 . 30165 1 164 . 3 1 9 9 TYR HE2 H 1 6.521 0.04 . 3 . . . C 30 TYR HE2 . 30165 1 165 . 3 1 10 10 PHE H H 1 8.025 0.04 . 1 . . . C 31 PHE H . 30165 1 166 . 3 1 10 10 PHE HA H 1 4.505 0.04 . 1 . . . C 31 PHE HA . 30165 1 167 . 3 1 10 10 PHE HB2 H 1 2.779 0.04 . 2 . . . C 31 PHE HB2 . 30165 1 168 . 3 1 10 10 PHE HB3 H 1 2.650 0.04 . 2 . . . C 31 PHE HB3 . 30165 1 169 . 3 1 10 10 PHE HD1 H 1 6.880 0.04 . 3 . . . C 31 PHE HD1 . 30165 1 170 . 3 1 10 10 PHE HD2 H 1 6.880 0.04 . 3 . . . C 31 PHE HD2 . 30165 1 171 . 3 1 10 10 PHE HE1 H 1 7.002 0.04 . 3 . . . C 31 PHE HE1 . 30165 1 172 . 3 1 10 10 PHE HE2 H 1 7.002 0.04 . 3 . . . C 31 PHE HE2 . 30165 1 173 . 3 1 11 11 VAL H H 1 8.005 0.04 . 1 . . . C 32 VAL H . 30165 1 174 . 3 1 11 11 VAL HA H 1 3.873 0.04 . 1 . . . C 32 VAL HA . 30165 1 175 . 3 1 11 11 VAL HB H 1 1.780 0.04 . 1 . . . C 32 VAL HB . 30165 1 176 . 3 1 11 11 VAL HG11 H 1 0.726 0.04 . 1 . . . C 32 VAL HG11 . 30165 1 177 . 3 1 11 11 VAL HG12 H 1 0.726 0.04 . 1 . . . C 32 VAL HG12 . 30165 1 178 . 3 1 11 11 VAL HG13 H 1 0.726 0.04 . 1 . . . C 32 VAL HG13 . 30165 1 179 . 3 1 11 11 VAL HG21 H 1 0.726 0.04 . 1 . . . C 32 VAL HG21 . 30165 1 180 . 3 1 11 11 VAL HG22 H 1 0.726 0.04 . 1 . . . C 32 VAL HG22 . 30165 1 181 . 3 1 11 11 VAL HG23 H 1 0.726 0.04 . 1 . . . C 32 VAL HG23 . 30165 1 182 . 3 1 12 12 ARG H H 1 7.914 0.04 . 1 . . . C 33 ARG H . 30165 1 183 . 3 1 12 12 ARG HA H 1 4.025 0.04 . 1 . . . C 33 ARG HA . 30165 1 184 . 3 1 12 12 ARG HB2 H 1 1.675 0.04 . 2 . . . C 33 ARG HB2 . 30165 1 185 . 3 1 12 12 ARG HB3 H 1 1.552 0.04 . 2 . . . C 33 ARG HB3 . 30165 1 186 . 3 1 12 12 ARG HG2 H 1 1.424 0.04 . 1 . . . C 33 ARG HG2 . 30165 1 187 . 3 1 12 12 ARG HG3 H 1 1.424 0.04 . 1 . . . C 33 ARG HG3 . 30165 1 188 . 3 1 12 12 ARG HD2 H 1 2.984 0.04 . 1 . . . C 33 ARG HD2 . 30165 1 189 . 3 1 12 12 ARG HD3 H 1 2.984 0.04 . 1 . . . C 33 ARG HD3 . 30165 1 190 . 3 1 12 12 ARG HE H 1 7.037 0.04 . 1 . . . C 33 ARG HE . 30165 1 191 . 4 2 1 1 CYS HA H 1 4.149 0.04 . 1 . . . D 34 CYS HA . 30165 1 192 . 4 2 1 1 CYS HB2 H 1 3.212 0.04 . 2 . . . D 34 CYS HB2 . 30165 1 193 . 4 2 1 1 CYS HB3 H 1 2.968 0.04 . 2 . . . D 34 CYS HB3 . 30165 1 194 . 4 2 2 2 GLY H H 1 8.668 0.04 . 1 . . . D 35 GLY H . 30165 1 195 . 4 2 2 2 GLY HA2 H 1 4.048 0.04 . 2 . . . D 35 GLY HA2 . 30165 1 196 . 4 2 2 2 GLY HA3 H 1 3.881 0.04 . 2 . . . D 35 GLY HA3 . 30165 1 197 . 4 2 3 3 THR H H 1 8.223 0.04 . 1 . . . D 36 THR H . 30165 1 198 . 4 2 3 3 THR HA H 1 4.503 0.04 . 1 . . . D 36 THR HA . 30165 1 199 . 4 2 3 3 THR HB H 1 3.976 0.04 . 1 . . . D 36 THR HB . 30165 1 200 . 4 2 3 3 THR HG21 H 1 1.111 0.04 . 1 . . . D 36 THR HG21 . 30165 1 201 . 4 2 3 3 THR HG22 H 1 1.111 0.04 . 1 . . . D 36 THR HG22 . 30165 1 202 . 4 2 3 3 THR HG23 H 1 1.111 0.04 . 1 . . . D 36 THR HG23 . 30165 1 203 . 4 2 4 4 PRO HA H 1 4.254 0.04 . 1 . . . D 37 PRO HA . 30165 1 204 . 4 2 4 4 PRO HB2 H 1 1.838 0.04 . 2 . . . D 37 PRO HB2 . 30165 1 205 . 4 2 4 4 PRO HB3 H 1 1.708 0.04 . 2 . . . D 37 PRO HB3 . 30165 1 206 . 4 2 4 4 PRO HG2 H 1 1.582 0.04 . 2 . . . D 37 PRO HG2 . 30165 1 207 . 4 2 4 4 PRO HG3 H 1 1.582 0.04 . 2 . . . D 37 PRO HG3 . 30165 1 208 . 4 2 4 4 PRO HD2 H 1 3.745 0.04 . 2 . . . D 37 PRO HD2 . 30165 1 209 . 4 2 4 4 PRO HD3 H 1 3.580 0.04 . 2 . . . D 37 PRO HD3 . 30165 1 210 . 4 2 5 5 ILE H H 1 8.054 0.04 . 1 . . . D 38 ILE H . 30165 1 211 . 4 2 5 5 ILE HA H 1 4.060 0.04 . 1 . . . D 38 ILE HA . 30165 1 212 . 4 2 5 5 ILE HB H 1 1.678 0.04 . 1 . . . D 38 ILE HB . 30165 1 213 . 4 2 5 5 ILE HG13 H 1 1.211 0.04 . 2 . . . D 38 ILE HG13 . 30165 1 214 . 4 2 5 5 ILE HG21 H 1 0.661 0.04 . 1 . . . D 38 ILE HG21 . 30165 1 215 . 4 2 5 5 ILE HG22 H 1 0.661 0.04 . 1 . . . D 38 ILE HG22 . 30165 1 216 . 4 2 5 5 ILE HG23 H 1 0.661 0.04 . 1 . . . D 38 ILE HG23 . 30165 1 217 . 4 2 5 5 ILE HD11 H 1 0.661 0.04 . 1 . . . D 38 ILE HD11 . 30165 1 218 . 4 2 5 5 ILE HD12 H 1 0.661 0.04 . 1 . . . D 38 ILE HD12 . 30165 1 219 . 4 2 5 5 ILE HD13 H 1 0.661 0.04 . 1 . . . D 38 ILE HD13 . 30165 1 220 . 4 2 6 6 SER HA H 1 4.253 0.04 . 1 . . . D 39 SER HA . 30165 1 221 . 4 2 6 6 SER HB2 H 1 3.744 0.04 . 2 . . . D 39 SER HB2 . 30165 1 222 . 4 2 6 6 SER HB3 H 1 3.660 0.04 . 2 . . . D 39 SER HB3 . 30165 1 223 . 4 2 7 7 PHE H H 1 8.636 0.04 . 1 . . . D 40 PHE H . 30165 1 224 . 4 2 7 7 PHE HA H 1 5.150 0.04 . 1 . . . D 40 PHE HA . 30165 1 225 . 4 2 7 7 PHE HB2 H 1 2.486 0.04 . 2 . . . D 40 PHE HB2 . 30165 1 226 . 4 2 7 7 PHE HB3 H 1 2.330 0.04 . 2 . . . D 40 PHE HB3 . 30165 1 227 . 4 2 7 7 PHE HD1 H 1 6.692 0.04 . 3 . . . D 40 PHE HD1 . 30165 1 228 . 4 2 7 7 PHE HD2 H 1 6.692 0.04 . 3 . . . D 40 PHE HD2 . 30165 1 229 . 4 2 7 7 PHE HE1 H 1 7.016 0.04 . 3 . . . D 40 PHE HE1 . 30165 1 230 . 4 2 7 7 PHE HE2 H 1 7.016 0.04 . 3 . . . D 40 PHE HE2 . 30165 1 231 . 4 2 8 8 TYR H H 1 9.398 0.04 . 1 . . . D 41 TYR H . 30165 1 232 . 4 2 8 8 TYR HA H 1 4.556 0.04 . 1 . . . D 41 TYR HA . 30165 1 233 . 4 2 8 8 TYR HB2 H 1 2.912 0.04 . 1 . . . D 41 TYR HB2 . 30165 1 234 . 4 2 8 8 TYR HB3 H 1 2.912 0.04 . 1 . . . D 41 TYR HB3 . 30165 1 235 . 4 2 8 8 TYR HD1 H 1 6.948 0.04 . 3 . . . D 41 TYR HD1 . 30165 1 236 . 4 2 8 8 TYR HD2 H 1 6.948 0.04 . 3 . . . D 41 TYR HD2 . 30165 1 237 . 4 2 8 8 TYR HE1 H 1 6.690 0.04 . 3 . . . D 41 TYR HE1 . 30165 1 238 . 4 2 8 8 TYR HE2 H 1 6.690 0.04 . 3 . . . D 41 TYR HE2 . 30165 1 stop_ save_