################################### # 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 16489 _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 3 '2D 1H-1H NOESY' . . . 16489 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 PHE HA H 1 4.32 0.005 . 1 . . . . 1 Phe HA . 16489 1 2 . 1 1 1 1 PHE HB2 H 1 3.34 0.005 . 2 . . . . 1 Phe HB2 . 16489 1 3 . 1 1 1 1 PHE HB3 H 1 3.21 0.005 . 2 . . . . 1 Phe HB3 . 16489 1 4 . 1 1 1 1 PHE HD1 H 1 7.38 0.005 . 3 . . . . 1 Phe HD1 . 16489 1 5 . 1 1 1 1 PHE HE1 H 1 7.44 0.005 . 3 . . . . 1 Phe HE1 . 16489 1 6 . 1 1 2 2 GLY H H 1 8.70 0.005 . 1 . . . . 2 Gly HN . 16489 1 7 . 1 1 2 2 GLY HA2 H 1 4.26 0.005 . 2 . . . . 2 Gly HA2 . 16489 1 8 . 1 1 2 2 GLY HA3 H 1 3.90 0.005 . 2 . . . . 2 Gly HA3 . 16489 1 9 . 1 1 3 3 PHE H H 1 8.63 0.005 . 1 . . . . 3 Phe HN . 16489 1 10 . 1 1 3 3 PHE HA H 1 4.39 0.005 . 1 . . . . 3 Phe HA . 16489 1 11 . 1 1 3 3 PHE HB2 H 1 3.33 0.005 . 2 . . . . 3 Phe HB2 . 16489 1 12 . 1 1 3 3 PHE HB3 H 1 3.28 0.005 . 2 . . . . 3 Phe HB3 . 16489 1 13 . 1 1 3 3 PHE HD1 H 1 7.35 0.005 . 3 . . . . 3 Phe HD1 . 16489 1 14 . 1 1 4 4 LYS H H 1 8.62 0.005 . 1 . . . . 4 Lys HN . 16489 1 15 . 1 1 4 4 LYS HA H 1 4.00 0.005 . 1 . . . . 4 Lys HA . 16489 1 16 . 1 1 4 4 LYS HB2 H 1 2.01 0.005 . 2 . . . . 4 Lys HB2 . 16489 1 17 . 1 1 4 4 LYS HB3 H 1 1.93 0.005 . 2 . . . . 4 Lys HB3 . 16489 1 18 . 1 1 4 4 LYS HD2 H 1 1.84 0.005 . 2 . . . . 4 Lys HD2 . 16489 1 19 . 1 1 4 4 LYS HE2 H 1 3.09 0.005 . 2 . . . . 4 Lys HE2 . 16489 1 20 . 1 1 4 4 LYS HG2 H 1 1.69 0.005 . 2 . . . . 4 Lys HG2 . 16489 1 21 . 1 1 4 4 LYS HG3 H 1 1.53 0.005 . 2 . . . . 4 Lys HG3 . 16489 1 22 . 1 1 5 5 ASP H H 1 7.92 0.005 . 1 . . . . 5 Asp HN . 16489 1 23 . 1 1 5 5 ASP HA H 1 4.45 0.005 . 1 . . . . 5 Asp HA . 16489 1 24 . 1 1 5 5 ASP HB2 H 1 3.06 0.005 . 2 . . . . 5 Asp HB2 . 16489 1 25 . 1 1 5 5 ASP HB3 H 1 2.89 0.005 . 2 . . . . 5 Asp HB3 . 16489 1 26 . 1 1 6 6 ILE H H 1 7.61 0.005 . 1 . . . . 6 Ile HN . 16489 1 27 . 1 1 6 6 ILE HA H 1 3.82 0.005 . 1 . . . . 6 Ile HA . 16489 1 28 . 1 1 6 6 ILE HB H 1 2.12 0.005 . 1 . . . . 6 Ile HB . 16489 1 29 . 1 1 6 6 ILE HD11 H 1 1.00 0.005 . 1 . . . . 6 Ile HD1 . 16489 1 30 . 1 1 6 6 ILE HD12 H 1 1.00 0.005 . 1 . . . . 6 Ile HD1 . 16489 1 31 . 1 1 6 6 ILE HD13 H 1 1.00 0.005 . 1 . . . . 6 Ile HD1 . 16489 1 32 . 1 1 6 6 ILE HG12 H 1 1.77 0.005 . 2 . . . . 6 Ile HG12 . 16489 1 33 . 1 1 6 6 ILE HG13 H 1 1.31 0.005 . 2 . . . . 6 Ile HG13 . 16489 1 34 . 1 1 6 6 ILE HG21 H 1 1.03 0.005 . 1 . . . . 6 Ile HG2 . 16489 1 35 . 1 1 6 6 ILE HG22 H 1 1.03 0.005 . 1 . . . . 6 Ile HG2 . 16489 1 36 . 1 1 6 6 ILE HG23 H 1 1.03 0.005 . 1 . . . . 6 Ile HG2 . 16489 1 37 . 1 1 7 7 ILE H H 1 7.67 0.005 . 1 . . . . 7 Ile HN . 16489 1 38 . 1 1 7 7 ILE HA H 1 3.71 0.005 . 1 . . . . 7 Ile HA . 16489 1 39 . 1 1 7 7 ILE HB H 1 2.00 0.005 . 1 . . . . 7 Ile HB . 16489 1 40 . 1 1 7 7 ILE HD11 H 1 0.92 0.005 . 1 . . . . 7 Ile HD1 . 16489 1 41 . 1 1 7 7 ILE HD12 H 1 0.92 0.005 . 1 . . . . 7 Ile HD1 . 16489 1 42 . 1 1 7 7 ILE HD13 H 1 0.92 0.005 . 1 . . . . 7 Ile HD1 . 16489 1 43 . 1 1 7 7 ILE HG12 H 1 1.66 0.005 . 2 . . . . 7 Ile HG12 . 16489 1 44 . 1 1 7 7 ILE HG13 H 1 1.27 0.005 . 2 . . . . 7 Ile HG13 . 16489 1 45 . 1 1 7 7 ILE HG21 H 1 0.99 0.005 . 1 . . . . 7 Ile HG2 . 16489 1 46 . 1 1 7 7 ILE HG22 H 1 0.99 0.005 . 1 . . . . 7 Ile HG2 . 16489 1 47 . 1 1 7 7 ILE HG23 H 1 0.99 0.005 . 1 . . . . 7 Ile HG2 . 16489 1 48 . 1 1 8 8 ARG H H 1 8.05 0.005 . 1 . . . . 8 Arg HN . 16489 1 49 . 1 1 8 8 ARG HA H 1 4.00 0.005 . 1 . . . . 8 Arg HA . 16489 1 50 . 1 1 8 8 ARG HB2 H 1 2.02 0.005 . 2 . . . . 8 Arg HB2 . 16489 1 51 . 1 1 8 8 ARG HD2 H 1 3.29 0.005 . 2 . . . . 8 Arg HD2 . 16489 1 52 . 1 1 8 8 ARG HE H 1 7.58 0.005 . 1 . . . . 8 Arg HE . 16489 1 53 . 1 1 8 8 ARG HG2 H 1 1.76 0.005 . 2 . . . . 8 Arg HG2 . 16489 1 54 . 1 1 9 9 ALA H H 1 7.96 0.005 . 1 . . . . 9 Ala HN . 16489 1 55 . 1 1 9 9 ALA HA H 1 4.08 0.005 . 1 . . . . 9 Ala HA . 16489 1 56 . 1 1 9 9 ALA HB1 H 1 1.68 0.005 . 1 . . . . 9 Ala HB . 16489 1 57 . 1 1 9 9 ALA HB2 H 1 1.68 0.005 . 1 . . . . 9 Ala HB . 16489 1 58 . 1 1 9 9 ALA HB3 H 1 1.68 0.005 . 1 . . . . 9 Ala HB . 16489 1 59 . 1 1 10 10 ILE H H 1 8.33 0.005 . 1 . . . . 10 Ile HN . 16489 1 60 . 1 1 10 10 ILE HA H 1 3.77 0.005 . 1 . . . . 10 Ile HA . 16489 1 61 . 1 1 10 10 ILE HB H 1 2.09 0.005 . 1 . . . . 10 Ile HB . 16489 1 62 . 1 1 10 10 ILE HD11 H 1 0.93 0.005 . 1 . . . . 10 Ile HD1 . 16489 1 63 . 1 1 10 10 ILE HD12 H 1 0.93 0.005 . 1 . . . . 10 Ile HD1 . 16489 1 64 . 1 1 10 10 ILE HD13 H 1 0.93 0.005 . 1 . . . . 10 Ile HD1 . 16489 1 65 . 1 1 10 10 ILE HG12 H 1 1.23 0.005 . 2 . . . . 10 Ile HG12 . 16489 1 66 . 1 1 10 10 ILE HG21 H 1 1.03 0.005 . 1 . . . . 10 Ile HG2 . 16489 1 67 . 1 1 10 10 ILE HG22 H 1 1.03 0.005 . 1 . . . . 10 Ile HG2 . 16489 1 68 . 1 1 10 10 ILE HG23 H 1 1.03 0.005 . 1 . . . . 10 Ile HG2 . 16489 1 69 . 1 1 11 11 ARG H H 1 8.37 0.005 . 1 . . . . 11 Arg HN . 16489 1 70 . 1 1 11 11 ARG HA H 1 4.01 0.005 . 1 . . . . 11 Arg HA . 16489 1 71 . 1 1 11 11 ARG HB2 H 1 2.09 0.005 . 2 . . . . 11 Arg HB2 . 16489 1 72 . 1 1 11 11 ARG HB3 H 1 2.01 0.005 . 2 . . . . 11 Arg HB3 . 16489 1 73 . 1 1 11 11 ARG HD2 H 1 3.24 0.005 . 2 . . . . 11 Arg HD1 . 16489 1 74 . 1 1 11 11 ARG HD3 H 1 3.19 0.005 . 2 . . . . 11 Arg HD3 . 16489 1 75 . 1 1 11 11 ARG HG2 H 1 1.77 0.005 . 2 . . . . 11 Arg HG1 . 16489 1 76 . 1 1 12 12 ARG H H 1 8.18 0.005 . 1 . . . . 12 Arg HN . 16489 1 77 . 1 1 12 12 ARG HA H 1 4.17 0.005 . 1 . . . . 12 Arg HA . 16489 1 78 . 1 1 12 12 ARG HB2 H 1 2.08 0.005 . 2 . . . . 12 Arg HB2 . 16489 1 79 . 1 1 12 12 ARG HB3 H 1 2.03 0.005 . 2 . . . . 12 Arg HB3 . 16489 1 80 . 1 1 12 12 ARG HD2 H 1 3.24 0.005 . 2 . . . . 12 Arg HD2 . 16489 1 81 . 1 1 12 12 ARG HE H 1 7.58 0.005 . 1 . . . . 12 Arg HE . 16489 1 82 . 1 1 12 12 ARG HG2 H 1 1.80 0.005 . 2 . . . . 12 Arg HG2 . 16489 1 83 . 1 1 13 13 ILE H H 1 7.87 0.005 . 1 . . . . 13 Ile HN . 16489 1 84 . 1 1 13 13 ILE HA H 1 4.16 0.005 . 1 . . . . 13 Ile HA . 16489 1 85 . 1 1 13 13 ILE HB H 1 2.10 0.005 . 1 . . . . 13 Ile HB . 16489 1 86 . 1 1 13 13 ILE HD11 H 1 0.97 0.005 . 1 . . . . 13 Ile HD1 . 16489 1 87 . 1 1 13 13 ILE HD12 H 1 0.97 0.005 . 1 . . . . 13 Ile HD1 . 16489 1 88 . 1 1 13 13 ILE HD13 H 1 0.97 0.005 . 1 . . . . 13 Ile HD1 . 16489 1 89 . 1 1 13 13 ILE HG12 H 1 1.65 0.005 . 2 . . . . 13 Ile HG12 . 16489 1 90 . 1 1 13 13 ILE HG13 H 1 1.32 0.005 . 2 . . . . 13 Ile HG13 . 16489 1 91 . 1 1 13 13 ILE HG21 H 1 1.06 0.005 . 1 . . . . 13 Ile HG2 . 16489 1 92 . 1 1 13 13 ILE HG22 H 1 1.06 0.005 . 1 . . . . 13 Ile HG2 . 16489 1 93 . 1 1 13 13 ILE HG23 H 1 1.06 0.005 . 1 . . . . 13 Ile HG2 . 16489 1 94 . 1 1 14 14 ALA H H 1 8.31 0.005 . 1 . . . . 14 Ala HN . 16489 1 95 . 1 1 14 14 ALA HA H 1 4.22 0.005 . 1 . . . . 14 Ala HA . 16489 1 96 . 1 1 14 14 ALA HB1 H 1 1.64 0.005 . 1 . . . . 14 Ala HB . 16489 1 97 . 1 1 14 14 ALA HB2 H 1 1.64 0.005 . 1 . . . . 14 Ala HB . 16489 1 98 . 1 1 14 14 ALA HB3 H 1 1.64 0.005 . 1 . . . . 14 Ala HB . 16489 1 99 . 1 1 15 15 VAL H H 1 8.12 0.005 . 1 . . . . 15 Val HN . 16489 1 100 . 1 1 15 15 VAL HA H 1 3.90 0.005 . 1 . . . . 15 Val HA . 16489 1 101 . 1 1 15 15 VAL HB H 1 2.50 0.005 . 1 . . . . 15 Val HB . 16489 1 102 . 1 1 15 15 VAL HG11 H 1 1.27 0.005 . 2 . . . . 15 Val HG1 . 16489 1 103 . 1 1 15 15 VAL HG12 H 1 1.27 0.005 . 2 . . . . 15 Val HG1 . 16489 1 104 . 1 1 15 15 VAL HG13 H 1 1.27 0.005 . 2 . . . . 15 Val HG1 . 16489 1 105 . 1 1 15 15 VAL HG21 H 1 0.98 0.005 . 2 . . . . 15 Val HG2 . 16489 1 106 . 1 1 15 15 VAL HG22 H 1 0.98 0.005 . 2 . . . . 15 Val HG2 . 16489 1 107 . 1 1 15 15 VAL HG23 H 1 0.98 0.005 . 2 . . . . 15 Val HG2 . 16489 1 108 . 1 1 16 16 PRO HA H 1 3.95 0.005 . 1 . . . . 16 Pro HA . 16489 1 109 . 1 1 16 16 PRO HB2 H 1 2.43 0.005 . 2 . . . . 16 Pro HB2 . 16489 1 110 . 1 1 16 16 PRO HB3 H 1 2.39 0.005 . 2 . . . . 16 Pro HB3 . 16489 1 111 . 1 1 16 16 PRO HD2 H 1 3.97 0.005 . 2 . . . . 16 Pro HD2 . 16489 1 112 . 1 1 16 16 PRO HD3 H 1 3.63 0.005 . 2 . . . . 16 Pro HD3 . 16489 1 113 . 1 1 16 16 PRO HG2 H 1 2.49 0.005 . 2 . . . . 16 Pro HG2 . 16489 1 114 . 1 1 16 16 PRO HG3 H 1 2.02 0.005 . 2 . . . . 16 Pro HG3 . 16489 1 115 . 1 1 17 17 VAL H H 1 7.43 0.005 . 1 . . . . 17 Val HN . 16489 1 116 . 1 1 17 17 VAL HA H 1 3.77 0.005 . 1 . . . . 17 Val HA . 16489 1 117 . 1 1 17 17 VAL HB H 1 2.33 0.005 . 1 . . . . 17 Val HB . 16489 1 118 . 1 1 17 17 VAL HG11 H 1 1.21 0.005 . 2 . . . . 17 Val HG1 . 16489 1 119 . 1 1 17 17 VAL HG12 H 1 1.21 0.005 . 2 . . . . 17 Val HG1 . 16489 1 120 . 1 1 17 17 VAL HG13 H 1 1.21 0.005 . 2 . . . . 17 Val HG1 . 16489 1 121 . 1 1 17 17 VAL HG21 H 1 1.07 0.005 . 2 . . . . 17 Val HG2 . 16489 1 122 . 1 1 17 17 VAL HG22 H 1 1.07 0.005 . 2 . . . . 17 Val HG2 . 16489 1 123 . 1 1 17 17 VAL HG23 H 1 1.07 0.005 . 2 . . . . 17 Val HG2 . 16489 1 124 . 1 1 18 18 VAL H H 1 8.73 0.005 . 1 . . . . 18 Val HN . 16489 1 125 . 1 1 18 18 VAL HA H 1 3.77 0.005 . 1 . . . . 18 Val HA . 16489 1 126 . 1 1 18 18 VAL HB H 1 2.26 0.005 . 1 . . . . 18 Val HB . 16489 1 127 . 1 1 18 18 VAL HG11 H 1 1.21 0.005 . 2 . . . . 18 Val HG1 . 16489 1 128 . 1 1 18 18 VAL HG12 H 1 1.21 0.005 . 2 . . . . 18 Val HG1 . 16489 1 129 . 1 1 18 18 VAL HG13 H 1 1.21 0.005 . 2 . . . . 18 Val HG1 . 16489 1 130 . 1 1 18 18 VAL HG21 H 1 1.14 0.005 . 2 . . . . 18 Val HG2 . 16489 1 131 . 1 1 18 18 VAL HG22 H 1 1.14 0.005 . 2 . . . . 18 Val HG2 . 16489 1 132 . 1 1 18 18 VAL HG23 H 1 1.14 0.005 . 2 . . . . 18 Val HG2 . 16489 1 133 . 1 1 19 19 SER H H 1 8.17 0.005 . 1 . . . . 19 Ser HN . 16489 1 134 . 1 1 19 19 SER HA H 1 4.25 0.005 . 1 . . . . 19 Ser HA . 16489 1 135 . 1 1 19 19 SER HB2 H 1 4.10 0.005 . 2 . . . . 19 Ser HB2 . 16489 1 136 . 1 1 19 19 SER HB3 H 1 3.95 0.005 . 2 . . . . 19 Ser HB3 . 16489 1 137 . 1 1 20 20 THR H H 1 7.46 0.005 . 1 . . . . 20 Thr HN . 16489 1 138 . 1 1 20 20 THR HA H 1 4.38 0.005 . 1 . . . . 20 Thr HA . 16489 1 139 . 1 1 20 20 THR HB H 1 4.20 0.005 . 1 . . . . 20 Thr HB . 16489 1 140 . 1 1 20 20 THR HG21 H 1 1.41 0.005 . 1 . . . . 20 Thr HG . 16489 1 141 . 1 1 20 20 THR HG22 H 1 1.41 0.005 . 1 . . . . 20 Thr HG . 16489 1 142 . 1 1 20 20 THR HG23 H 1 1.41 0.005 . 1 . . . . 20 Thr HG . 16489 1 143 . 1 1 21 21 LEU H H 1 7.79 0.005 . 1 . . . . 21 Leu HN . 16489 1 144 . 1 1 21 21 LEU HA H 1 4.37 0.005 . 1 . . . . 21 Leu HA . 16489 1 145 . 1 1 21 21 LEU HB2 H 1 1.95 0.005 . 2 . . . . 21 Leu HB2 . 16489 1 146 . 1 1 21 21 LEU HB3 H 1 1.84 0.005 . 2 . . . . 21 Leu HB3 . 16489 1 147 . 1 1 21 21 LEU HD11 H 1 0.94 0.005 . 2 . . . . 21 Leu HD1 . 16489 1 148 . 1 1 21 21 LEU HD12 H 1 0.94 0.005 . 2 . . . . 21 Leu HD1 . 16489 1 149 . 1 1 21 21 LEU HD13 H 1 0.94 0.005 . 2 . . . . 21 Leu HD1 . 16489 1 150 . 1 1 21 21 LEU HG H 1 1.47 0.005 . 1 . . . . 21 Leu HG . 16489 1 151 . 1 1 22 22 PHE H H 1 8.11 0.005 . 1 . . . . 22 Phe HN . 16489 1 152 . 1 1 22 22 PHE HA H 1 5.04 0.005 . 1 . . . . 22 Phe HA . 16489 1 153 . 1 1 22 22 PHE HB2 H 1 3.29 0.005 . 2 . . . . 22 Phe HB2 . 16489 1 154 . 1 1 22 22 PHE HB3 H 1 3.16 0.005 . 2 . . . . 22 Phe HB3 . 16489 1 155 . 1 1 22 22 PHE HD1 H 1 7.40 0.005 . 3 . . . . 22 Phe HD1 . 16489 1 156 . 1 1 22 22 PHE HE1 H 1 7.35 0.005 . 3 . . . . 22 Phe HE1 . 16489 1 157 . 1 1 23 23 PRO HA H 1 4.72 0.005 . 1 . . . . 23 Pro HA . 16489 1 158 . 1 1 23 23 PRO HB2 H 1 2.64 0.005 . 2 . . . . 23 Pro HB2 . 16489 1 159 . 1 1 23 23 PRO HD2 H 1 4.02 0.005 . 2 . . . . 23 Pro HD2 . 16489 1 160 . 1 1 23 23 PRO HD3 H 1 3.51 0.005 . 2 . . . . 23 Pro HD3 . 16489 1 161 . 1 1 23 23 PRO HG2 H 1 2.21 0.005 . 2 . . . . 23 Pro HG2 . 16489 1 162 . 1 1 24 24 PRO HA H 1 4.72 0.005 . 1 . . . . 24 Pro HA . 16489 1 163 . 1 1 24 24 PRO HB2 H 1 2.43 0.005 . 2 . . . . 24 Pro HB2 . 16489 1 164 . 1 1 24 24 PRO HB3 H 1 2.20 0.005 . 2 . . . . 24 Pro HB3 . 16489 1 165 . 1 1 24 24 PRO HD2 H 1 3.54 0.005 . 2 . . . . 24 Pro HD2 . 16489 1 166 . 1 1 24 24 PRO HG2 H 1 2.76 0.005 . 2 . . . . 24 Pro HG2 . 16489 1 167 . 1 1 24 24 PRO HG3 H 1 1.94 0.005 . 2 . . . . 24 Pro HG3 . 16489 1 168 . 1 1 25 25 ALA H H 1 8.09 0.005 . 1 . . . . 25 Ala HN . 16489 1 169 . 1 1 25 25 ALA HA H 1 4.42 0.005 . 1 . . . . 25 Ala HA . 16489 1 170 . 1 1 25 25 ALA HB1 H 1 1.71 0.005 . 1 . . . . 25 Ala HB . 16489 1 171 . 1 1 25 25 ALA HB2 H 1 1.71 0.005 . 1 . . . . 25 Ala HB . 16489 1 172 . 1 1 25 25 ALA HB3 H 1 1.71 0.005 . 1 . . . . 25 Ala HB . 16489 1 173 . 1 1 26 26 ALA H H 1 8.30 0.005 . 1 . . . . 26 Ala HN . 16489 1 174 . 1 1 26 26 ALA HA H 1 4.46 0.005 . 1 . . . . 26 Ala HA . 16489 1 175 . 1 1 26 26 ALA HB1 H 1 1.65 0.005 . 1 . . . . 26 Ala HB . 16489 1 176 . 1 1 26 26 ALA HB2 H 1 1.65 0.005 . 1 . . . . 26 Ala HB . 16489 1 177 . 1 1 26 26 ALA HB3 H 1 1.65 0.005 . 1 . . . . 26 Ala HB . 16489 1 178 . 1 1 27 27 PRO HA H 1 4.40 0.005 . 1 . . . . 27 Pro HA . 16489 1 179 . 1 1 27 27 PRO HB2 H 1 2.47 0.005 . 2 . . . . 27 Pro HB2 . 16489 1 180 . 1 1 27 27 PRO HB3 H 1 2.30 0.005 . 2 . . . . 27 Pro HB3 . 16489 1 181 . 1 1 27 27 PRO HD2 H 1 3.99 0.005 . 2 . . . . 27 Pro HD2 . 16489 1 182 . 1 1 27 27 PRO HD3 H 1 3.85 0.005 . 2 . . . . 27 Pro HD3 . 16489 1 183 . 1 1 27 27 PRO HG2 H 1 2.05 0.005 . 2 . . . . 27 Pro HG2 . 16489 1 184 . 1 1 28 28 LEU H H 1 7.59 0.005 . 1 . . . . 28 Leu HN . 16489 1 185 . 1 1 28 28 LEU HA H 1 4.27 0.005 . 1 . . . . 28 Leu HA . 16489 1 186 . 1 1 28 28 LEU HB2 H 1 1.92 0.005 . 2 . . . . 28 Leu HB2 . 16489 1 187 . 1 1 28 28 LEU HB3 H 1 1.81 0.005 . 2 . . . . 28 Leu HB3 . 16489 1 188 . 1 1 28 28 LEU HD11 H 1 1.11 0.005 . 2 . . . . 28 Leu HD1 . 16489 1 189 . 1 1 28 28 LEU HD12 H 1 1.11 0.005 . 2 . . . . 28 Leu HD1 . 16489 1 190 . 1 1 28 28 LEU HD13 H 1 1.11 0.005 . 2 . . . . 28 Leu HD1 . 16489 1 191 . 1 1 28 28 LEU HG H 1 1.72 0.005 . 1 . . . . 28 Leu HG . 16489 1 192 . 1 1 29 29 ALA H H 1 8.45 0.005 . 1 . . . . 29 Ala HN . 16489 1 193 . 1 1 29 29 ALA HA H 1 4.12 0.005 . 1 . . . . 29 Ala HA . 16489 1 194 . 1 1 29 29 ALA HB1 H 1 1.64 0.005 . 1 . . . . 29 Ala HB . 16489 1 195 . 1 1 29 29 ALA HB2 H 1 1.64 0.005 . 1 . . . . 29 Ala HB . 16489 1 196 . 1 1 29 29 ALA HB3 H 1 1.64 0.005 . 1 . . . . 29 Ala HB . 16489 1 197 . 1 1 30 30 HIS H H 1 8.50 0.005 . 1 . . . . 30 His HN . 16489 1 198 . 1 1 30 30 HIS HA H 1 4.34 0.005 . 1 . . . . 30 His HA . 16489 1 199 . 1 1 30 30 HIS HB2 H 1 3.43 0.005 . 2 . . . . 30 His HB2 . 16489 1 200 . 1 1 30 30 HIS HD2 H 1 7.48 0.005 . 1 . . . . 30 His HD2 . 16489 1 201 . 1 1 30 30 HIS HE1 H 1 8.79 0.005 . 1 . . . . 30 His HE1 . 16489 1 202 . 1 1 31 31 ALA H H 1 8.32 0.005 . 1 . . . . 31 Ala HN . 16489 1 203 . 1 1 31 31 ALA HA H 1 4.18 0.005 . 1 . . . . 31 Ala HA . 16489 1 204 . 1 1 31 31 ALA HB1 H 1 1.72 0.005 . 1 . . . . 31 Ala HB . 16489 1 205 . 1 1 31 31 ALA HB2 H 1 1.72 0.005 . 1 . . . . 31 Ala HB . 16489 1 206 . 1 1 31 31 ALA HB3 H 1 1.72 0.005 . 1 . . . . 31 Ala HB . 16489 1 207 . 1 1 32 32 ILE H H 1 8.53 0.005 . 1 . . . . 32 Ile HN . 16489 1 208 . 1 1 32 32 ILE HA H 1 3.84 0.005 . 1 . . . . 32 Ile HA . 16489 1 209 . 1 1 32 32 ILE HB H 1 1.99 0.005 . 1 . . . . 32 Ile HB . 16489 1 210 . 1 1 32 32 ILE HD11 H 1 0.95 0.005 . 1 . . . . 32 Ile HD1 . 16489 1 211 . 1 1 32 32 ILE HD12 H 1 0.95 0.005 . 1 . . . . 32 Ile HD1 . 16489 1 212 . 1 1 32 32 ILE HD13 H 1 0.95 0.005 . 1 . . . . 32 Ile HD1 . 16489 1 213 . 1 1 32 32 ILE HG12 H 1 1.24 0.005 . 2 . . . . 32 Ile HG12 . 16489 1 214 . 1 1 32 32 ILE HG21 H 1 1.01 0.005 . 1 . . . . 32 Ile HG2 . 16489 1 215 . 1 1 32 32 ILE HG22 H 1 1.01 0.005 . 1 . . . . 32 Ile HG2 . 16489 1 216 . 1 1 32 32 ILE HG23 H 1 1.01 0.005 . 1 . . . . 32 Ile HG2 . 16489 1 217 . 1 1 33 33 GLY H H 1 8.43 0.005 . 1 . . . . 33 Gly HN . 16489 1 218 . 1 1 33 33 GLY HA2 H 1 3.78 0.005 . 2 . . . . 33 Gly HA2 . 16489 1 219 . 1 1 34 34 GLU H H 1 8.36 0.005 . 1 . . . . 34 Glu HN . 16489 1 220 . 1 1 34 34 GLU HA H 1 4.14 0.005 . 1 . . . . 34 Glu HA . 16489 1 221 . 1 1 34 34 GLU HB2 H 1 2.28 0.005 . 2 . . . . 34 Glu HB2 . 16489 1 222 . 1 1 34 34 GLU HB3 H 1 2.21 0.005 . 2 . . . . 34 Glu HB3 . 16489 1 223 . 1 1 34 34 GLU HG2 H 1 2.55 0.005 . 2 . . . . 34 Glu HG2 . 16489 1 224 . 1 1 34 34 GLU HG3 H 1 2.43 0.005 . 2 . . . . 34 Glu HG3 . 16489 1 225 . 1 1 35 35 GLY H H 1 8.27 0.005 . 1 . . . . 35 Gly HN . 16489 1 226 . 1 1 35 35 GLY HA2 H 1 3.99 0.005 . 2 . . . . 35 Gly HA2 . 16489 1 227 . 1 1 36 36 VAL H H 1 8.58 0.005 . 1 . . . . 36 Val HN . 16489 1 228 . 1 1 36 36 VAL HA H 1 3.73 0.005 . 1 . . . . 36 Val HA . 16489 1 229 . 1 1 36 36 VAL HB H 1 2.33 0.005 . 1 . . . . 36 Val HB . 16489 1 230 . 1 1 36 36 VAL HG11 H 1 1.19 0.005 . 2 . . . . 36 Val HG1 . 16489 1 231 . 1 1 36 36 VAL HG12 H 1 1.19 0.005 . 2 . . . . 36 Val HG1 . 16489 1 232 . 1 1 36 36 VAL HG13 H 1 1.19 0.005 . 2 . . . . 36 Val HG1 . 16489 1 233 . 1 1 36 36 VAL HG21 H 1 1.07 0.005 . 2 . . . . 36 Val HG2 . 16489 1 234 . 1 1 36 36 VAL HG22 H 1 1.07 0.005 . 2 . . . . 36 Val HG2 . 16489 1 235 . 1 1 36 36 VAL HG23 H 1 1.07 0.005 . 2 . . . . 36 Val HG2 . 16489 1 236 . 1 1 37 37 ASP H H 1 8.27 0.005 . 1 . . . . 37 Asp HN . 16489 1 237 . 1 1 37 37 ASP HA H 1 4.48 0.005 . 1 . . . . 37 Asp HA . 16489 1 238 . 1 1 37 37 ASP HB2 H 1 3.17 0.005 . 2 . . . . 37 Asp HB2 . 16489 1 239 . 1 1 37 37 ASP HB3 H 1 2.85 0.005 . 2 . . . . 37 Asp HB3 . 16489 1 240 . 1 1 38 38 TYR H H 1 8.43 0.005 . 1 . . . . 38 Tyr HN . 16489 1 241 . 1 1 38 38 TYR HA H 1 4.30 0.005 . 1 . . . . 38 Tyr HA . 16489 1 242 . 1 1 38 38 TYR HB2 H 1 3.27 0.005 . 2 . . . . 38 Tyr HB2 . 16489 1 243 . 1 1 38 38 TYR HD1 H 1 7.38 0.005 . 3 . . . . 38 Tyr HD1 . 16489 1 244 . 1 1 38 38 TYR HE1 H 1 7.18 0.005 . 3 . . . . 38 Tyr HE1 . 16489 1 245 . 1 1 39 39 LEU H H 1 8.23 0.005 . 1 . . . . 39 Leu HN . 16489 1 246 . 1 1 39 39 LEU HA H 1 4.17 0.005 . 1 . . . . 39 Leu HA . 16489 1 247 . 1 1 39 39 LEU HB2 H 1 2.03 0.005 . 2 . . . . 39 Leu HB2 . 16489 1 248 . 1 1 39 39 LEU HB3 H 1 1.99 0.005 . 2 . . . . 39 Leu HB3 . 16489 1 249 . 1 1 39 39 LEU HD11 H 1 1.06 0.005 . 2 . . . . 39 Leu HD1 . 16489 1 250 . 1 1 39 39 LEU HD12 H 1 1.06 0.005 . 2 . . . . 39 Leu HD1 . 16489 1 251 . 1 1 39 39 LEU HD13 H 1 1.06 0.005 . 2 . . . . 39 Leu HD1 . 16489 1 252 . 1 1 39 39 LEU HG H 1 1.83 0.005 . 1 . . . . 39 Leu HG . 16489 1 253 . 1 1 40 40 LEU H H 1 8.52 0.005 . 1 . . . . 40 Leu HN . 16489 1 254 . 1 1 40 40 LEU HA H 1 4.24 0.005 . 1 . . . . 40 Leu HA . 16489 1 255 . 1 1 40 40 LEU HB2 H 1 1.99 0.005 . 2 . . . . 40 Leu HB2 . 16489 1 256 . 1 1 40 40 LEU HD11 H 1 1.05 0.005 . 2 . . . . 40 Leu HD1 . 16489 1 257 . 1 1 40 40 LEU HD12 H 1 1.05 0.005 . 2 . . . . 40 Leu HD1 . 16489 1 258 . 1 1 40 40 LEU HD13 H 1 1.05 0.005 . 2 . . . . 40 Leu HD1 . 16489 1 259 . 1 1 40 40 LEU HD21 H 1 0.97 0.005 . 2 . . . . 40 Leu HD2 . 16489 1 260 . 1 1 40 40 LEU HD22 H 1 0.97 0.005 . 2 . . . . 40 Leu HD2 . 16489 1 261 . 1 1 40 40 LEU HD23 H 1 0.97 0.005 . 2 . . . . 40 Leu HD2 . 16489 1 262 . 1 1 40 40 LEU HG H 1 1.61 0.005 . 1 . . . . 40 Leu HG . 16489 1 263 . 1 1 41 41 GLY H H 1 8.25 0.005 . 1 . . . . 41 Gly HN . 16489 1 264 . 1 1 41 41 GLY HA2 H 1 3.90 0.005 . 2 . . . . 41 Gly HA2 . 16489 1 265 . 1 1 42 42 ASP H H 1 8.40 0.005 . 1 . . . . 42 Asp HN . 16489 1 266 . 1 1 42 42 ASP HA H 1 4.62 0.005 . 1 . . . . 42 Asp HA . 16489 1 267 . 1 1 42 42 ASP HB2 H 1 3.00 0.005 . 2 . . . . 42 Asp HB2 . 16489 1 268 . 1 1 42 42 ASP HB3 H 1 2.96 0.005 . 2 . . . . 42 Asp HB3 . 16489 1 269 . 1 1 43 43 GLU H H 1 8.40 0.005 . 1 . . . . 43 Glu HN . 16489 1 270 . 1 1 43 43 GLU HA H 1 4.18 0.005 . 1 . . . . 43 Glu HA . 16489 1 271 . 1 1 43 43 GLU HB2 H 1 2.31 0.005 . 2 . . . . 43 Glu HB2 . 16489 1 272 . 1 1 43 43 GLU HB3 H 1 2.26 0.005 . 2 . . . . 43 Glu HB3 . 16489 1 273 . 1 1 43 43 GLU HG2 H 1 2.72 0.005 . 2 . . . . 43 Glu HG2 . 16489 1 274 . 1 1 43 43 GLU HG3 H 1 2.51 0.005 . 2 . . . . 43 Glu HG3 . 16489 1 275 . 1 1 44 44 ALA H H 1 8.08 0.005 . 1 . . . . 44 Ala HN . 16489 1 276 . 1 1 44 44 ALA HA H 1 4.31 0.005 . 1 . . . . 44 Ala HA . 16489 1 277 . 1 1 44 44 ALA HB1 H 1 1.59 0.005 . 1 . . . . 44 Ala HB . 16489 1 278 . 1 1 44 44 ALA HB2 H 1 1.59 0.005 . 1 . . . . 44 Ala HB . 16489 1 279 . 1 1 44 44 ALA HB3 H 1 1.59 0.005 . 1 . . . . 44 Ala HB . 16489 1 280 . 1 1 45 45 GLN H H 1 7.69 0.005 . 1 . . . . 45 Gln HN . 16489 1 281 . 1 1 45 45 GLN HA H 1 4.42 0.005 . 1 . . . . 45 Gln HA . 16489 1 282 . 1 1 45 45 GLN HB2 H 1 2.34 0.005 . 2 . . . . 45 Gln HB2 . 16489 1 283 . 1 1 45 45 GLN HB3 H 1 2.16 0.005 . 2 . . . . 45 Gln HB3 . 16489 1 284 . 1 1 45 45 GLN HE21 H 1 7.51 0.005 . 2 . . . . 45 Gln HE21 . 16489 1 285 . 1 1 45 45 GLN HE22 H 1 6.53 0.005 . 2 . . . . 45 Gln HE22 . 16489 1 286 . 1 1 45 45 GLN HG2 H 1 2.52 0.005 . 2 . . . . 45 Gln HG2 . 16489 1 287 . 1 1 45 45 GLN HG3 H 1 2.46 0.005 . 2 . . . . 45 Gln HG3 . 16489 1 288 . 1 1 46 46 ALA H H 1 7.95 0.005 . 1 . . . . 46 Ala HN . 16489 1 289 . 1 1 46 46 ALA HA H 1 4.46 0.005 . 1 . . . . 46 Ala HA . 16489 1 290 . 1 1 46 46 ALA HB1 H 1 1.55 0.005 . 1 . . . . 46 Ala HB . 16489 1 291 . 1 1 46 46 ALA HB2 H 1 1.55 0.005 . 1 . . . . 46 Ala HB . 16489 1 292 . 1 1 46 46 ALA HB3 H 1 1.55 0.005 . 1 . . . . 46 Ala HB . 16489 1 stop_ save_