################################### # 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 36103 _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' 1 $sample_1 isotropic 36103 1 2 '2D TOCSY' 1 $sample_1 isotropic 36103 1 3 '2D DQF-COSY' 1 $sample_1 isotropic 36103 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 ALA HA H 1 4.27 0.01 . 1 . . . . A 1 ALA HA . 36103 1 2 . 1 1 1 1 ALA HB1 H 1 1.48 0.01 . 1 . . . . A 1 ALA HB1 . 36103 1 3 . 1 1 1 1 ALA HB2 H 1 1.48 0.01 . 1 . . . . A 1 ALA HB2 . 36103 1 4 . 1 1 1 1 ALA HB3 H 1 1.48 0.01 . 1 . . . . A 1 ALA HB3 . 36103 1 5 . 1 1 2 2 PRO HA H 1 4.51 0.01 . 1 . . . . A 2 PRO HA . 36103 1 6 . 1 1 2 2 PRO HB2 H 1 1.73 0.01 . 2 . . . . A 2 PRO HB2 . 36103 1 7 . 1 1 2 2 PRO HB3 H 1 2.08 0.01 . 2 . . . . A 2 PRO HB3 . 36103 1 8 . 1 1 2 2 PRO HG2 H 1 2.03 0.01 . 2 . . . . A 2 PRO HG2 . 36103 1 9 . 1 1 2 2 PRO HG3 H 1 2.13 0.01 . 2 . . . . A 2 PRO HG3 . 36103 1 10 . 1 1 2 2 PRO HD2 H 1 3.62 0.01 . 2 . . . . A 2 PRO HD2 . 36103 1 11 . 1 1 3 3 VAL H H 1 9.00 0.01 . 1 . . . . A 3 VAL H . 36103 1 12 . 1 1 3 3 VAL HA H 1 4.93 0.01 . 1 . . . . A 3 VAL HA . 36103 1 13 . 1 1 3 3 VAL HB H 1 2.37 0.01 . 1 . . . . A 3 VAL HB . 36103 1 14 . 1 1 3 3 VAL HG11 H 1 0.91 0.01 . 1 . . . . A 3 VAL HG11 . 36103 1 15 . 1 1 3 3 VAL HG12 H 1 0.91 0.01 . 1 . . . . A 3 VAL HG12 . 36103 1 16 . 1 1 3 3 VAL HG13 H 1 0.91 0.01 . 1 . . . . A 3 VAL HG13 . 36103 1 17 . 1 1 3 3 VAL HG21 H 1 0.76 0.01 . 1 . . . . A 3 VAL HG21 . 36103 1 18 . 1 1 3 3 VAL HG22 H 1 0.76 0.01 . 1 . . . . A 3 VAL HG22 . 36103 1 19 . 1 1 3 3 VAL HG23 H 1 0.76 0.01 . 1 . . . . A 3 VAL HG23 . 36103 1 20 . 1 1 4 4 PRO HA H 1 4.69 0.01 . 1 . . . . A 4 PRO HA . 36103 1 21 . 1 1 4 4 PRO HB2 H 1 1.98 0.01 . 2 . . . . A 4 PRO HB2 . 36103 1 22 . 1 1 4 4 PRO HB3 H 1 2.56 0.01 . 2 . . . . A 4 PRO HB3 . 36103 1 23 . 1 1 4 4 PRO HG2 H 1 2.06 0.01 . 2 . . . . A 4 PRO HG2 . 36103 1 24 . 1 1 4 4 PRO HG3 H 1 2.33 0.01 . 2 . . . . A 4 PRO HG3 . 36103 1 25 . 1 1 4 4 PRO HD2 H 1 4.00 0.01 . 2 . . . . A 4 PRO HD2 . 36103 1 26 . 1 1 4 4 PRO HD3 H 1 4.06 0.01 . 2 . . . . A 4 PRO HD3 . 36103 1 27 . 1 1 5 5 VAL H H 1 7.66 0.01 . 1 . . . . A 5 VAL H . 36103 1 28 . 1 1 5 5 VAL HA H 1 4.69 0.01 . 1 . . . . A 5 VAL HA . 36103 1 29 . 1 1 5 5 VAL HB H 1 2.03 0.01 . 1 . . . . A 5 VAL HB . 36103 1 30 . 1 1 5 5 VAL HG11 H 1 1.07 0.01 . 1 . . . . A 5 VAL HG11 . 36103 1 31 . 1 1 5 5 VAL HG12 H 1 1.07 0.01 . 1 . . . . A 5 VAL HG12 . 36103 1 32 . 1 1 5 5 VAL HG13 H 1 1.07 0.01 . 1 . . . . A 5 VAL HG13 . 36103 1 33 . 1 1 5 5 VAL HG21 H 1 0.82 0.01 . 1 . . . . A 5 VAL HG21 . 36103 1 34 . 1 1 5 5 VAL HG22 H 1 0.82 0.01 . 1 . . . . A 5 VAL HG22 . 36103 1 35 . 1 1 5 5 VAL HG23 H 1 0.82 0.01 . 1 . . . . A 5 VAL HG23 . 36103 1 36 . 1 1 6 6 THR H H 1 9.25 0.01 . 1 . . . . A 6 THR H . 36103 1 37 . 1 1 6 6 THR HA H 1 4.40 0.01 . 1 . . . . A 6 THR HA . 36103 1 38 . 1 1 6 6 THR HB H 1 4.25 0.01 . 1 . . . . A 6 THR HB . 36103 1 39 . 1 1 6 6 THR HG21 H 1 1.23 0.01 . 1 . . . . A 6 THR HG21 . 36103 1 40 . 1 1 6 6 THR HG22 H 1 1.23 0.01 . 1 . . . . A 6 THR HG22 . 36103 1 41 . 1 1 6 6 THR HG23 H 1 1.23 0.01 . 1 . . . . A 6 THR HG23 . 36103 1 42 . 1 1 7 7 LYS H H 1 7.43 0.01 . 1 . . . . A 7 LYS H . 36103 1 43 . 1 1 7 7 LYS HA H 1 4.58 0.01 . 1 . . . . A 7 LYS HA . 36103 1 44 . 1 1 7 7 LYS HB2 H 1 1.96 0.01 . 1 . . . . A 7 LYS HB2 . 36103 1 45 . 1 1 7 7 LYS HB3 H 1 1.82 0.01 . 1 . . . . A 7 LYS HB3 . 36103 1 46 . 1 1 7 7 LYS HG2 H 1 1.27 0.01 . 2 . . . . A 7 LYS HG2 . 36103 1 47 . 1 1 7 7 LYS HG3 H 1 1.38 0.01 . 2 . . . . A 7 LYS HG3 . 36103 1 48 . 1 1 7 7 LYS HD2 H 1 1.43 0.01 . 2 . . . . A 7 LYS HD2 . 36103 1 49 . 1 1 7 7 LYS HD3 H 1 1.47 0.01 . 2 . . . . A 7 LYS HD3 . 36103 1 50 . 1 1 7 7 LYS HE2 H 1 2.54 0.01 . 2 . . . . A 7 LYS HE2 . 36103 1 51 . 1 1 7 7 LYS HE3 H 1 2.58 0.01 . 2 . . . . A 7 LYS HE3 . 36103 1 52 . 1 1 8 8 LEU H H 1 8.66 0.01 . 1 . . . . A 8 LEU H . 36103 1 53 . 1 1 8 8 LEU HA H 1 5.51 0.01 . 1 . . . . A 8 LEU HA . 36103 1 54 . 1 1 8 8 LEU HB2 H 1 1.46 0.01 . 1 . . . . A 8 LEU HB2 . 36103 1 55 . 1 1 8 8 LEU HB3 H 1 1.75 0.01 . 1 . . . . A 8 LEU HB3 . 36103 1 56 . 1 1 8 8 LEU HG H 1 1.57 0.01 . 1 . . . . A 8 LEU HG . 36103 1 57 . 1 1 8 8 LEU HD11 H 1 1.17 0.01 . 1 . . . . A 8 LEU HD11 . 36103 1 58 . 1 1 8 8 LEU HD12 H 1 1.17 0.01 . 1 . . . . A 8 LEU HD12 . 36103 1 59 . 1 1 8 8 LEU HD13 H 1 1.17 0.01 . 1 . . . . A 8 LEU HD13 . 36103 1 60 . 1 1 8 8 LEU HD21 H 1 1.07 0.01 . 1 . . . . A 8 LEU HD21 . 36103 1 61 . 1 1 8 8 LEU HD22 H 1 1.07 0.01 . 1 . . . . A 8 LEU HD22 . 36103 1 62 . 1 1 8 8 LEU HD23 H 1 1.07 0.01 . 1 . . . . A 8 LEU HD23 . 36103 1 63 . 1 1 9 9 VAL H H 1 8.84 0.01 . 1 . . . . A 9 VAL H . 36103 1 64 . 1 1 9 9 VAL HA H 1 5.12 0.01 . 1 . . . . A 9 VAL HA . 36103 1 65 . 1 1 9 9 VAL HB H 1 1.97 0.01 . 1 . . . . A 9 VAL HB . 36103 1 66 . 1 1 9 9 VAL HG11 H 1 0.86 0.01 . 1 . . . . A 9 VAL HG11 . 36103 1 67 . 1 1 9 9 VAL HG12 H 1 0.86 0.01 . 1 . . . . A 9 VAL HG12 . 36103 1 68 . 1 1 9 9 VAL HG13 H 1 0.86 0.01 . 1 . . . . A 9 VAL HG13 . 36103 1 69 . 1 1 9 9 VAL HG21 H 1 0.94 0.01 . 1 . . . . A 9 VAL HG21 . 36103 1 70 . 1 1 9 9 VAL HG22 H 1 0.94 0.01 . 1 . . . . A 9 VAL HG22 . 36103 1 71 . 1 1 9 9 VAL HG23 H 1 0.94 0.01 . 1 . . . . A 9 VAL HG23 . 36103 1 72 . 1 1 10 10 CYS H H 1 9.10 0.01 . 1 . . . . A 10 CYS H . 36103 1 73 . 1 1 10 10 CYS HA H 1 4.87 0.01 . 1 . . . . A 10 CYS HA . 36103 1 74 . 1 1 10 10 CYS HB2 H 1 2.36 0.01 . 1 . . . . A 10 CYS HB2 . 36103 1 75 . 1 1 10 10 CYS HB3 H 1 2.28 0.01 . 1 . . . . A 10 CYS HB3 . 36103 1 76 . 1 1 10 10 CYS HG H 1 1.21 0.01 . 1 . . . . A 10 CYS HG . 36103 1 77 . 1 1 11 11 ASP H H 1 8.19 0.01 . 1 . . . . A 11 ASP H . 36103 1 78 . 1 1 11 11 ASP HA H 1 4.87 0.01 . 1 . . . . A 11 ASP HA . 36103 1 79 . 1 1 11 11 ASP HB2 H 1 2.09 0.01 . 2 . . . . A 11 ASP HB2 . 36103 1 80 . 1 1 11 11 ASP HB3 H 1 3.22 0.01 . 2 . . . . A 11 ASP HB3 . 36103 1 81 . 1 1 12 12 GLY H H 1 8.67 0.01 . 1 . . . . A 12 GLY H . 36103 1 82 . 1 1 12 12 GLY HA2 H 1 3.45 0.01 . 2 . . . . A 12 GLY HA2 . 36103 1 83 . 1 1 12 12 GLY HA3 H 1 3.50 0.01 . 2 . . . . A 12 GLY HA3 . 36103 1 84 . 1 1 13 13 ASP H H 1 8.57 0.01 . 1 . . . . A 13 ASP H . 36103 1 85 . 1 1 13 13 ASP HA H 1 4.65 0.01 . 1 . . . . A 13 ASP HA . 36103 1 86 . 1 1 13 13 ASP HB2 H 1 2.63 0.01 . 1 . . . . A 13 ASP HB2 . 36103 1 87 . 1 1 13 13 ASP HB3 H 1 2.58 0.01 . 1 . . . . A 13 ASP HB3 . 36103 1 88 . 1 1 14 14 THR H H 1 7.33 0.01 . 1 . . . . A 14 THR H . 36103 1 89 . 1 1 14 14 THR HA H 1 4.16 0.01 . 1 . . . . A 14 THR HA . 36103 1 90 . 1 1 14 14 THR HB H 1 4.26 0.01 . 1 . . . . A 14 THR HB . 36103 1 91 . 1 1 14 14 THR HG21 H 1 1.03 0.01 . 1 . . . . A 14 THR HG21 . 36103 1 92 . 1 1 14 14 THR HG22 H 1 1.03 0.01 . 1 . . . . A 14 THR HG22 . 36103 1 93 . 1 1 14 14 THR HG23 H 1 1.03 0.01 . 1 . . . . A 14 THR HG23 . 36103 1 94 . 1 1 15 15 TYR H H 1 7.86 0.01 . 1 . . . . A 15 TYR H . 36103 1 95 . 1 1 15 15 TYR HA H 1 3.96 0.01 . 1 . . . . A 15 TYR HA . 36103 1 96 . 1 1 15 15 TYR HB2 H 1 3.40 0.01 . 2 . . . . A 15 TYR HB2 . 36103 1 97 . 1 1 15 15 TYR HB3 H 1 3.73 0.01 . 2 . . . . A 15 TYR HB3 . 36103 1 98 . 1 1 15 15 TYR HD1 H 1 7.07 0.01 . 3 . . . . A 15 TYR HD1 . 36103 1 99 . 1 1 15 15 TYR HD2 H 1 7.07 0.01 . 3 . . . . A 15 TYR HD2 . 36103 1 100 . 1 1 15 15 TYR HE1 H 1 6.97 0.01 . 3 . . . . A 15 TYR HE1 . 36103 1 101 . 1 1 15 15 TYR HE2 H 1 6.97 0.01 . 3 . . . . A 15 TYR HE2 . 36103 1 102 . 1 1 16 16 LYS H H 1 7.31 0.01 . 1 . . . . A 16 LYS H . 36103 1 103 . 1 1 16 16 LYS HA H 1 4.91 0.01 . 1 . . . . A 16 LYS HA . 36103 1 104 . 1 1 16 16 LYS HB2 H 1 1.25 0.01 . 2 . . . . A 16 LYS HB2 . 36103 1 105 . 1 1 16 16 LYS HB3 H 1 1.48 0.01 . 2 . . . . A 16 LYS HB3 . 36103 1 106 . 1 1 16 16 LYS HG2 H 1 1.37 0.01 . 2 . . . . A 16 LYS HG2 . 36103 1 107 . 1 1 16 16 LYS HD2 H 1 1.25 0.01 . 2 . . . . A 16 LYS HD2 . 36103 1 108 . 1 1 16 16 LYS HD3 H 1 1.53 0.01 . 2 . . . . A 16 LYS HD3 . 36103 1 109 . 1 1 16 16 LYS HE2 H 1 2.89 0.01 . 2 . . . . A 16 LYS HE2 . 36103 1 110 . 1 1 16 16 LYS HE3 H 1 2.90 0.01 . 2 . . . . A 16 LYS HE3 . 36103 1 111 . 1 1 17 17 CYS H H 1 8.50 0.01 . 1 . . . . A 17 CYS H . 36103 1 112 . 1 1 17 17 CYS HA H 1 4.69 0.01 . 1 . . . . A 17 CYS HA . 36103 1 113 . 1 1 17 17 CYS HB2 H 1 0.82 0.01 . 2 . . . . A 17 CYS HB2 . 36103 1 114 . 1 1 17 17 CYS HB3 H 1 1.03 0.01 . 2 . . . . A 17 CYS HB3 . 36103 1 115 . 1 1 17 17 CYS HG H 1 1.12 0.01 . 1 . . . . A 17 CYS HG . 36103 1 116 . 1 1 18 18 THR H H 1 8.36 0.01 . 1 . . . . A 18 THR H . 36103 1 117 . 1 1 18 18 THR HA H 1 4.56 0.01 . 1 . . . . A 18 THR HA . 36103 1 118 . 1 1 18 18 THR HB H 1 3.59 0.01 . 1 . . . . A 18 THR HB . 36103 1 119 . 1 1 18 18 THR HG21 H 1 0.58 0.01 . 1 . . . . A 18 THR HG21 . 36103 1 120 . 1 1 18 18 THR HG22 H 1 0.58 0.01 . 1 . . . . A 18 THR HG22 . 36103 1 121 . 1 1 18 18 THR HG23 H 1 0.58 0.01 . 1 . . . . A 18 THR HG23 . 36103 1 122 . 1 1 19 19 ALA H H 1 9.61 0.01 . 1 . . . . A 19 ALA H . 36103 1 123 . 1 1 19 19 ALA HA H 1 5.29 0.01 . 1 . . . . A 19 ALA HA . 36103 1 124 . 1 1 19 19 ALA HB1 H 1 1.58 0.01 . 1 . . . . A 19 ALA HB1 . 36103 1 125 . 1 1 19 19 ALA HB2 H 1 1.58 0.01 . 1 . . . . A 19 ALA HB2 . 36103 1 126 . 1 1 19 19 ALA HB3 H 1 1.58 0.01 . 1 . . . . A 19 ALA HB3 . 36103 1 127 . 1 1 20 20 TYR H H 1 8.81 0.01 . 1 . . . . A 20 TYR H . 36103 1 128 . 1 1 20 20 TYR HA H 1 4.56 0.01 . 1 . . . . A 20 TYR HA . 36103 1 129 . 1 1 20 20 TYR HB2 H 1 2.92 0.01 . 1 . . . . A 20 TYR HB2 . 36103 1 130 . 1 1 20 20 TYR HB3 H 1 3.18 0.01 . 1 . . . . A 20 TYR HB3 . 36103 1 131 . 1 1 20 20 TYR HD1 H 1 7.20 0.01 . 3 . . . . A 20 TYR HD1 . 36103 1 132 . 1 1 20 20 TYR HD2 H 1 7.20 0.01 . 3 . . . . A 20 TYR HD2 . 36103 1 133 . 1 1 20 20 TYR HE1 H 1 6.62 0.01 . 3 . . . . A 20 TYR HE1 . 36103 1 134 . 1 1 20 20 TYR HE2 H 1 6.62 0.01 . 3 . . . . A 20 TYR HE2 . 36103 1 135 . 1 1 21 21 LEU H H 1 8.04 0.01 . 1 . . . . A 21 LEU H . 36103 1 136 . 1 1 21 21 LEU HA H 1 4.98 0.01 . 1 . . . . A 21 LEU HA . 36103 1 137 . 1 1 21 21 LEU HB2 H 1 1.91 0.01 . 1 . . . . A 21 LEU HB2 . 36103 1 138 . 1 1 21 21 LEU HB3 H 1 1.24 0.01 . 1 . . . . A 21 LEU HB3 . 36103 1 139 . 1 1 21 21 LEU HG H 1 1.75 0.01 . 1 . . . . A 21 LEU HG . 36103 1 140 . 1 1 21 21 LEU HD11 H 1 0.68 0.01 . 1 . . . . A 21 LEU HD11 . 36103 1 141 . 1 1 21 21 LEU HD12 H 1 0.68 0.01 . 1 . . . . A 21 LEU HD12 . 36103 1 142 . 1 1 21 21 LEU HD13 H 1 0.68 0.01 . 1 . . . . A 21 LEU HD13 . 36103 1 143 . 1 1 21 21 LEU HD21 H 1 0.67 0.01 . 1 . . . . A 21 LEU HD21 . 36103 1 144 . 1 1 21 21 LEU HD22 H 1 0.67 0.01 . 1 . . . . A 21 LEU HD22 . 36103 1 145 . 1 1 21 21 LEU HD23 H 1 0.67 0.01 . 1 . . . . A 21 LEU HD23 . 36103 1 146 . 1 1 22 22 ASP H H 1 8.75 0.01 . 1 . . . . A 22 ASP H . 36103 1 147 . 1 1 22 22 ASP HA H 1 4.96 0.01 . 1 . . . . A 22 ASP HA . 36103 1 148 . 1 1 22 22 ASP HB2 H 1 2.37 0.01 . 1 . . . . A 22 ASP HB2 . 36103 1 149 . 1 1 22 22 ASP HB3 H 1 2.97 0.01 . 1 . . . . A 22 ASP HB3 . 36103 1 150 . 1 1 23 23 TYR H H 1 7.39 0.01 . 1 . . . . A 23 TYR H . 36103 1 151 . 1 1 23 23 TYR HA H 1 4.58 0.01 . 1 . . . . A 23 TYR HA . 36103 1 152 . 1 1 23 23 TYR HB2 H 1 3.28 0.01 . 1 . . . . A 23 TYR HB2 . 36103 1 153 . 1 1 23 23 TYR HB3 H 1 2.24 0.01 . 1 . . . . A 23 TYR HB3 . 36103 1 154 . 1 1 23 23 TYR HD1 H 1 6.49 0.01 . 3 . . . . A 23 TYR HD1 . 36103 1 155 . 1 1 23 23 TYR HD2 H 1 6.49 0.01 . 3 . . . . A 23 TYR HD2 . 36103 1 156 . 1 1 23 23 TYR HE1 H 1 6.10 0.01 . 3 . . . . A 23 TYR HE1 . 36103 1 157 . 1 1 23 23 TYR HE2 H 1 6.10 0.01 . 3 . . . . A 23 TYR HE2 . 36103 1 158 . 1 1 24 24 GLY HA2 H 1 3.42 0.01 . 2 . . . . A 24 GLY HA2 . 36103 1 159 . 1 1 24 24 GLY HA3 H 1 3.49 0.01 . 2 . . . . A 24 GLY HA3 . 36103 1 160 . 1 1 25 25 ASP H H 1 8.49 0.01 . 1 . . . . A 25 ASP H . 36103 1 161 . 1 1 25 25 ASP HA H 1 4.55 0.01 . 1 . . . . A 25 ASP HA . 36103 1 162 . 1 1 25 25 ASP HB2 H 1 2.81 0.01 . 2 . . . . A 25 ASP HB2 . 36103 1 163 . 1 1 25 25 ASP HB3 H 1 3.27 0.01 . 2 . . . . A 25 ASP HB3 . 36103 1 164 . 1 1 26 26 GLY H H 1 8.52 0.01 . 1 . . . . A 26 GLY H . 36103 1 165 . 1 1 26 26 GLY HA2 H 1 4.32 0.01 . 2 . . . . A 26 GLY HA2 . 36103 1 166 . 1 1 26 26 GLY HA3 H 1 4.41 0.01 . 2 . . . . A 26 GLY HA3 . 36103 1 167 . 1 1 27 27 LYS H H 1 8.23 0.01 . 1 . . . . A 27 LYS H . 36103 1 168 . 1 1 27 27 LYS HA H 1 4.55 0.01 . 1 . . . . A 27 LYS HA . 36103 1 169 . 1 1 27 27 LYS HB2 H 1 1.38 0.01 . 1 . . . . A 27 LYS HB2 . 36103 1 170 . 1 1 27 27 LYS HB3 H 1 1.91 0.01 . 1 . . . . A 27 LYS HB3 . 36103 1 171 . 1 1 27 27 LYS HG2 H 1 1.12 0.01 . 2 . . . . A 27 LYS HG2 . 36103 1 172 . 1 1 27 27 LYS HG3 H 1 1.23 0.01 . 2 . . . . A 27 LYS HG3 . 36103 1 173 . 1 1 27 27 LYS HD2 H 1 1.47 0.01 . 2 . . . . A 27 LYS HD2 . 36103 1 174 . 1 1 27 27 LYS HD3 H 1 1.53 0.01 . 2 . . . . A 27 LYS HD3 . 36103 1 175 . 1 1 27 27 LYS HE2 H 1 2.91 0.01 . 2 . . . . A 27 LYS HE2 . 36103 1 176 . 1 1 27 27 LYS HE3 H 1 2.92 0.01 . 2 . . . . A 27 LYS HE3 . 36103 1 177 . 1 1 28 28 TRP H H 1 9.71 0.01 . 1 . . . . A 28 TRP H . 36103 1 178 . 1 1 28 28 TRP HA H 1 5.08 0.01 . 1 . . . . A 28 TRP HA . 36103 1 179 . 1 1 28 28 TRP HB2 H 1 3.73 0.01 . 1 . . . . A 28 TRP HB2 . 36103 1 180 . 1 1 28 28 TRP HB3 H 1 3.02 0.01 . 1 . . . . A 28 TRP HB3 . 36103 1 181 . 1 1 28 28 TRP HD1 H 1 7.46 0.01 . 1 . . . . A 28 TRP HD1 . 36103 1 182 . 1 1 28 28 TRP HE1 H 1 10.68 0.01 . 1 . . . . A 28 TRP HE1 . 36103 1 183 . 1 1 28 28 TRP HE3 H 1 7.32 0.01 . 1 . . . . A 28 TRP HE3 . 36103 1 184 . 1 1 28 28 TRP HZ2 H 1 7.45 0.01 . 1 . . . . A 28 TRP HZ2 . 36103 1 185 . 1 1 28 28 TRP HZ3 H 1 7.18 0.01 . 1 . . . . A 28 TRP HZ3 . 36103 1 186 . 1 1 28 28 TRP HH2 H 1 7.33 0.01 . 1 . . . . A 28 TRP HH2 . 36103 1 187 . 1 1 29 29 VAL H H 1 8.85 0.01 . 1 . . . . A 29 VAL H . 36103 1 188 . 1 1 29 29 VAL HA H 1 5.24 0.01 . 1 . . . . A 29 VAL HA . 36103 1 189 . 1 1 29 29 VAL HB H 1 1.56 0.01 . 1 . . . . A 29 VAL HB . 36103 1 190 . 1 1 29 29 VAL HG11 H 1 0.23 0.01 . 1 . . . . A 29 VAL HG11 . 36103 1 191 . 1 1 29 29 VAL HG12 H 1 0.23 0.01 . 1 . . . . A 29 VAL HG12 . 36103 1 192 . 1 1 29 29 VAL HG13 H 1 0.23 0.01 . 1 . . . . A 29 VAL HG13 . 36103 1 193 . 1 1 29 29 VAL HG21 H 1 -0.06 0.01 . 1 . . . . A 29 VAL HG21 . 36103 1 194 . 1 1 29 29 VAL HG22 H 1 -0.06 0.01 . 1 . . . . A 29 VAL HG22 . 36103 1 195 . 1 1 29 29 VAL HG23 H 1 -0.06 0.01 . 1 . . . . A 29 VAL HG23 . 36103 1 196 . 1 1 30 30 ALA H H 1 8.85 0.01 . 1 . . . . A 30 ALA H . 36103 1 197 . 1 1 30 30 ALA HA H 1 5.65 0.01 . 1 . . . . A 30 ALA HA . 36103 1 198 . 1 1 30 30 ALA HB1 H 1 1.59 0.01 . 1 . . . . A 30 ALA HB1 . 36103 1 199 . 1 1 30 30 ALA HB2 H 1 1.59 0.01 . 1 . . . . A 30 ALA HB2 . 36103 1 200 . 1 1 30 30 ALA HB3 H 1 1.59 0.01 . 1 . . . . A 30 ALA HB3 . 36103 1 201 . 1 1 31 31 GLN H H 1 8.98 0.01 . 1 . . . . A 31 GLN H . 36103 1 202 . 1 1 31 31 GLN HA H 1 5.64 0.01 . 1 . . . . A 31 GLN HA . 36103 1 203 . 1 1 31 31 GLN HB2 H 1 1.88 0.01 . 2 . . . . A 31 GLN HB2 . 36103 1 204 . 1 1 31 31 GLN HB3 H 1 1.94 0.01 . 2 . . . . A 31 GLN HB3 . 36103 1 205 . 1 1 31 31 GLN HG2 H 1 2.27 0.01 . 2 . . . . A 31 GLN HG2 . 36103 1 206 . 1 1 31 31 GLN HG3 H 1 2.27 0.01 . 2 . . . . A 31 GLN HG3 . 36103 1 207 . 1 1 31 31 GLN HE21 H 1 6.74 0.01 . 2 . . . . A 31 GLN HE21 . 36103 1 208 . 1 1 31 31 GLN HE22 H 1 7.41 0.01 . 2 . . . . A 31 GLN HE22 . 36103 1 209 . 1 1 32 32 TRP H H 1 7.97 0.01 . 1 . . . . A 32 TRP H . 36103 1 210 . 1 1 32 32 TRP HA H 1 5.17 0.01 . 1 . . . . A 32 TRP HA . 36103 1 211 . 1 1 32 32 TRP HB2 H 1 3.34 0.01 . 1 . . . . A 32 TRP HB2 . 36103 1 212 . 1 1 32 32 TRP HB3 H 1 3.75 0.01 . 1 . . . . A 32 TRP HB3 . 36103 1 213 . 1 1 32 32 TRP HD1 H 1 6.31 0.01 . 1 . . . . A 32 TRP HD1 . 36103 1 214 . 1 1 32 32 TRP HE1 H 1 4.69 0.01 . 1 . . . . A 32 TRP HE1 . 36103 1 215 . 1 1 32 32 TRP HE3 H 1 7.42 0.01 . 1 . . . . A 32 TRP HE3 . 36103 1 216 . 1 1 32 32 TRP HZ2 H 1 6.76 0.01 . 1 . . . . A 32 TRP HZ2 . 36103 1 217 . 1 1 32 32 TRP HZ3 H 1 6.83 0.01 . 1 . . . . A 32 TRP HZ3 . 36103 1 218 . 1 1 32 32 TRP HH2 H 1 6.97 0.01 . 1 . . . . A 32 TRP HH2 . 36103 1 219 . 1 1 33 33 ASP H H 1 8.66 0.01 . 1 . . . . A 33 ASP H . 36103 1 220 . 1 1 33 33 ASP HA H 1 5.03 0.01 . 1 . . . . A 33 ASP HA . 36103 1 221 . 1 1 33 33 ASP HB2 H 1 2.70 0.01 . 1 . . . . A 33 ASP HB2 . 36103 1 222 . 1 1 33 33 ASP HB3 H 1 2.91 0.01 . 1 . . . . A 33 ASP HB3 . 36103 1 223 . 1 1 34 34 THR H H 1 8.01 0.01 . 1 . . . . A 34 THR H . 36103 1 224 . 1 1 34 34 THR HA H 1 5.13 0.01 . 1 . . . . A 34 THR HA . 36103 1 225 . 1 1 34 34 THR HB H 1 4.12 0.01 . 1 . . . . A 34 THR HB . 36103 1 226 . 1 1 34 34 THR HG1 H 1 3.79 0.01 . 1 . . . . A 34 THR HG1 . 36103 1 227 . 1 1 34 34 THR HG21 H 1 0.92 0.01 . 1 . . . . A 34 THR HG21 . 36103 1 228 . 1 1 34 34 THR HG22 H 1 0.92 0.01 . 1 . . . . A 34 THR HG22 . 36103 1 229 . 1 1 34 34 THR HG23 H 1 0.92 0.01 . 1 . . . . A 34 THR HG23 . 36103 1 230 . 1 1 35 35 ALA H H 1 8.66 0.01 . 1 . . . . A 35 ALA H . 36103 1 231 . 1 1 35 35 ALA HA H 1 4.86 0.01 . 1 . . . . A 35 ALA HA . 36103 1 232 . 1 1 35 35 ALA HB1 H 1 1.59 0.01 . 1 . . . . A 35 ALA HB1 . 36103 1 233 . 1 1 35 35 ALA HB2 H 1 1.59 0.01 . 1 . . . . A 35 ALA HB2 . 36103 1 234 . 1 1 35 35 ALA HB3 H 1 1.59 0.01 . 1 . . . . A 35 ALA HB3 . 36103 1 235 . 1 1 36 36 VAL H H 1 7.57 0.01 . 1 . . . . A 36 VAL H . 36103 1 236 . 1 1 36 36 VAL HA H 1 5.34 0.01 . 1 . . . . A 36 VAL HA . 36103 1 237 . 1 1 36 36 VAL HB H 1 1.54 0.01 . 1 . . . . A 36 VAL HB . 36103 1 238 . 1 1 36 36 VAL HG11 H 1 0.92 0.01 . 1 . . . . A 36 VAL HG11 . 36103 1 239 . 1 1 36 36 VAL HG12 H 1 0.92 0.01 . 1 . . . . A 36 VAL HG12 . 36103 1 240 . 1 1 36 36 VAL HG13 H 1 0.92 0.01 . 1 . . . . A 36 VAL HG13 . 36103 1 241 . 1 1 36 36 VAL HG21 H 1 0.76 0.01 . 1 . . . . A 36 VAL HG21 . 36103 1 242 . 1 1 36 36 VAL HG22 H 1 0.76 0.01 . 1 . . . . A 36 VAL HG22 . 36103 1 243 . 1 1 36 36 VAL HG23 H 1 0.76 0.01 . 1 . . . . A 36 VAL HG23 . 36103 1 244 . 1 1 37 37 PHE H H 1 8.99 0.01 . 1 . . . . A 37 PHE H . 36103 1 245 . 1 1 37 37 PHE HA H 1 5.08 0.01 . 1 . . . . A 37 PHE HA . 36103 1 246 . 1 1 37 37 PHE HB2 H 1 2.99 0.01 . 1 . . . . A 37 PHE HB2 . 36103 1 247 . 1 1 37 37 PHE HB3 H 1 3.29 0.01 . 1 . . . . A 37 PHE HB3 . 36103 1 248 . 1 1 37 37 PHE HD1 H 1 6.85 0.01 . 3 . . . . A 37 PHE HD1 . 36103 1 249 . 1 1 37 37 PHE HD2 H 1 6.85 0.01 . 3 . . . . A 37 PHE HD2 . 36103 1 250 . 1 1 37 37 PHE HE1 H 1 7.05 0.01 . 3 . . . . A 37 PHE HE1 . 36103 1 251 . 1 1 37 37 PHE HE2 H 1 7.05 0.01 . 3 . . . . A 37 PHE HE2 . 36103 1 252 . 1 1 37 37 PHE HZ H 1 6.98 0.01 . 1 . . . . A 37 PHE HZ . 36103 1 253 . 1 1 38 38 HIS H H 1 8.53 0.01 . 1 . . . . A 38 HIS H . 36103 1 254 . 1 1 38 38 HIS HA H 1 4.12 0.01 . 1 . . . . A 38 HIS HA . 36103 1 255 . 1 1 38 38 HIS HB2 H 1 0.78 0.01 . 1 . . . . A 38 HIS HB2 . 36103 1 256 . 1 1 38 38 HIS HB3 H 1 2.47 0.01 . 1 . . . . A 38 HIS HB3 . 36103 1 257 . 1 1 38 38 HIS HD2 H 1 5.65 0.01 . 1 . . . . A 38 HIS HD2 . 36103 1 258 . 1 1 38 38 HIS HE1 H 1 8.34 0.01 . 1 . . . . A 38 HIS HE1 . 36103 1 259 . 1 1 39 39 THR H H 1 8.07 0.01 . 1 . . . . A 39 THR H . 36103 1 260 . 1 1 39 39 THR HA H 1 4.46 0.01 . 1 . . . . A 39 THR HA . 36103 1 261 . 1 1 39 39 THR HB H 1 4.27 0.01 . 1 . . . . A 39 THR HB . 36103 1 262 . 1 1 39 39 THR HG21 H 1 1.14 0.01 . 1 . . . . A 39 THR HG21 . 36103 1 263 . 1 1 39 39 THR HG22 H 1 1.14 0.01 . 1 . . . . A 39 THR HG22 . 36103 1 264 . 1 1 39 39 THR HG23 H 1 1.14 0.01 . 1 . . . . A 39 THR HG23 . 36103 1 265 . 1 1 40 40 THR H H 1 7.49 0.01 . 1 . . . . A 40 THR H . 36103 1 266 . 1 1 40 40 THR HA H 1 4.04 0.01 . 1 . . . . A 40 THR HA . 36103 1 267 . 1 1 40 40 THR HB H 1 4.15 0.01 . 1 . . . . A 40 THR HB . 36103 1 268 . 1 1 40 40 THR HG21 H 1 1.13 0.01 . 1 . . . . A 40 THR HG21 . 36103 1 269 . 1 1 40 40 THR HG22 H 1 1.13 0.01 . 1 . . . . A 40 THR HG22 . 36103 1 270 . 1 1 40 40 THR HG23 H 1 1.13 0.01 . 1 . . . . A 40 THR HG23 . 36103 1 stop_ save_