################################### # 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 16435 _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 1 '2D 1H-1H TOCSY' . . . 16435 1 2 '2D 1H-1H COSY' . . . 16435 1 3 '2D 1H-1H NOESY' . . . 16435 1 4 '2D 1H-1H TOCSY' . . . 16435 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 2 $NMRView . . 16435 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 LYS HA H 1 3.953 0.02 . 1 . . . . 1 LYS HA . 16435 1 2 . 1 1 2 2 LYS H H 1 8.641 0.02 . 1 . . . . 2 LYS H . 16435 1 3 . 1 1 2 2 LYS HA H 1 4.325 0.02 . 1 . . . . 2 LYS HA . 16435 1 4 . 1 1 2 2 LYS HB2 H 1 1.667 0.02 . 2 . . . . 2 LYS HB2 . 16435 1 5 . 1 1 2 2 LYS HB3 H 1 1.713 0.02 . 2 . . . . 2 LYS HB3 . 16435 1 6 . 1 1 2 2 LYS HD2 H 1 1.621 0.02 . 2 . . . . 2 LYS HD2 . 16435 1 7 . 1 1 2 2 LYS HD3 H 1 1.621 0.02 . 2 . . . . 2 LYS HD3 . 16435 1 8 . 1 1 2 2 LYS HE2 H 1 2.927 0.02 . 2 . . . . 2 LYS HE2 . 16435 1 9 . 1 1 2 2 LYS HE3 H 1 2.927 0.02 . 2 . . . . 2 LYS HE3 . 16435 1 10 . 1 1 2 2 LYS HG2 H 1 1.318 0.02 . 2 . . . . 2 LYS HG2 . 16435 1 11 . 1 1 2 2 LYS HG3 H 1 1.349 0.02 . 2 . . . . 2 LYS HG3 . 16435 1 12 . 1 1 3 3 VAL H H 1 8.369 0.02 . 1 . . . . 3 VAL H . 16435 1 13 . 1 1 3 3 VAL HA H 1 4.036 0.02 . 1 . . . . 3 VAL HA . 16435 1 14 . 1 1 3 3 VAL HB H 1 1.936 0.02 . 1 . . . . 3 VAL HB . 16435 1 15 . 1 1 3 3 VAL HG11 H 1 0.828 0.02 . 2 . . . . 3 VAL HG1 . 16435 1 16 . 1 1 3 3 VAL HG12 H 1 0.828 0.02 . 2 . . . . 3 VAL HG1 . 16435 1 17 . 1 1 3 3 VAL HG13 H 1 0.828 0.02 . 2 . . . . 3 VAL HG1 . 16435 1 18 . 1 1 3 3 VAL HG21 H 1 0.867 0.02 . 2 . . . . 3 VAL HG2 . 16435 1 19 . 1 1 3 3 VAL HG22 H 1 0.867 0.02 . 2 . . . . 3 VAL HG2 . 16435 1 20 . 1 1 3 3 VAL HG23 H 1 0.867 0.02 . 2 . . . . 3 VAL HG2 . 16435 1 21 . 1 1 4 4 CYS H H 1 8.601 0.02 . 1 . . . . 4 CYS H . 16435 1 22 . 1 1 4 4 CYS HA H 1 4.617 0.02 . 1 . . . . 4 CYS HA . 16435 1 23 . 1 1 4 4 CYS HB2 H 1 2.851 0.02 . 2 . . . . 4 CYS HB2 . 16435 1 24 . 1 1 4 4 CYS HB3 H 1 3.075 0.02 . 2 . . . . 4 CYS HB3 . 16435 1 25 . 1 1 5 5 ALA H H 1 8.693 0.02 . 1 . . . . 5 ALA H . 16435 1 26 . 1 1 5 5 ALA HA H 1 4.511 0.02 . 1 . . . . 5 ALA HA . 16435 1 27 . 1 1 5 5 ALA HB1 H 1 1.204 0.02 . 1 . . . . 5 ALA HB . 16435 1 28 . 1 1 5 5 ALA HB2 H 1 1.204 0.02 . 1 . . . . 5 ALA HB . 16435 1 29 . 1 1 5 5 ALA HB3 H 1 1.204 0.02 . 1 . . . . 5 ALA HB . 16435 1 30 . 1 1 6 6 CYS H H 1 7.838 0.02 . 1 . . . . 6 CYS H . 16435 1 31 . 1 1 6 6 CYS HA H 1 5.314 0.02 . 1 . . . . 6 CYS HA . 16435 1 32 . 1 1 6 6 CYS HB2 H 1 3.017 0.02 . 2 . . . . 6 CYS HB2 . 16435 1 33 . 1 1 6 6 CYS HB3 H 1 2.518 0.02 . 2 . . . . 6 CYS HB3 . 16435 1 34 . 1 1 7 7 PRO HA H 1 4.472 0.02 . 1 . . . . 7 PRO HA . 16435 1 35 . 1 1 7 7 PRO HB2 H 1 2.335 0.02 . 2 . . . . 7 PRO HB2 . 16435 1 36 . 1 1 7 7 PRO HB3 H 1 1.737 0.02 . 2 . . . . 7 PRO HB3 . 16435 1 37 . 1 1 7 7 PRO HD2 H 1 3.899 0.02 . 2 . . . . 7 PRO HD2 . 16435 1 38 . 1 1 7 7 PRO HD3 H 1 3.487 0.02 . 2 . . . . 7 PRO HD3 . 16435 1 39 . 1 1 7 7 PRO HG2 H 1 1.949 0.02 . 2 . . . . 7 PRO HG2 . 16435 1 40 . 1 1 7 7 PRO HG3 H 1 2.023 0.02 . 2 . . . . 7 PRO HG3 . 16435 1 41 . 1 1 8 8 LYS H H 1 8.664 0.02 . 1 . . . . 8 LYS H . 16435 1 42 . 1 1 8 8 LYS HA H 1 4.226 0.02 . 1 . . . . 8 LYS HA . 16435 1 43 . 1 1 8 8 LYS HB2 H 1 1.842 0.02 . 2 . . . . 8 LYS HB2 . 16435 1 44 . 1 1 8 8 LYS HB3 H 1 1.611 0.02 . 2 . . . . 8 LYS HB3 . 16435 1 45 . 1 1 8 8 LYS HD2 H 1 1.601 0.02 . 2 . . . . 8 LYS HD2 . 16435 1 46 . 1 1 8 8 LYS HD3 H 1 1.601 0.02 . 2 . . . . 8 LYS HD3 . 16435 1 47 . 1 1 8 8 LYS HE2 H 1 2.894 0.02 . 2 . . . . 8 LYS HE2 . 16435 1 48 . 1 1 8 8 LYS HE3 H 1 2.894 0.02 . 2 . . . . 8 LYS HE3 . 16435 1 49 . 1 1 8 8 LYS HG2 H 1 1.403 0.02 . 2 . . . . 8 LYS HG2 . 16435 1 50 . 1 1 8 8 LYS HG3 H 1 1.324 0.02 . 2 . . . . 8 LYS HG3 . 16435 1 51 . 1 1 9 9 ILE H H 1 6.847 0.02 . 1 . . . . 9 ILE H . 16435 1 52 . 1 1 9 9 ILE HA H 1 4.070 0.02 . 1 . . . . 9 ILE HA . 16435 1 53 . 1 1 9 9 ILE HB H 1 1.601 0.02 . 1 . . . . 9 ILE HB . 16435 1 54 . 1 1 9 9 ILE HD11 H 1 0.815 0.02 . 1 . . . . 9 ILE HD1 . 16435 1 55 . 1 1 9 9 ILE HD12 H 1 0.815 0.02 . 1 . . . . 9 ILE HD1 . 16435 1 56 . 1 1 9 9 ILE HD13 H 1 0.815 0.02 . 1 . . . . 9 ILE HD1 . 16435 1 57 . 1 1 9 9 ILE HG12 H 1 1.354 0.02 . 2 . . . . 9 ILE HG12 . 16435 1 58 . 1 1 9 9 ILE HG13 H 1 0.998 0.02 . 2 . . . . 9 ILE HG13 . 16435 1 59 . 1 1 9 9 ILE HG21 H 1 0.807 0.02 . 1 . . . . 9 ILE HG2 . 16435 1 60 . 1 1 9 9 ILE HG22 H 1 0.807 0.02 . 1 . . . . 9 ILE HG2 . 16435 1 61 . 1 1 9 9 ILE HG23 H 1 0.807 0.02 . 1 . . . . 9 ILE HG2 . 16435 1 62 . 1 1 10 10 LEU H H 1 8.620 0.02 . 1 . . . . 10 LEU H . 16435 1 63 . 1 1 10 10 LEU HA H 1 4.624 0.02 . 1 . . . . 10 LEU HA . 16435 1 64 . 1 1 10 10 LEU HB2 H 1 1.751 0.02 . 2 . . . . 10 LEU HB2 . 16435 1 65 . 1 1 10 10 LEU HB3 H 1 1.751 0.02 . 2 . . . . 10 LEU HB3 . 16435 1 66 . 1 1 10 10 LEU HD11 H 1 0.940 0.02 . 2 . . . . 10 LEU HD1 . 16435 1 67 . 1 1 10 10 LEU HD12 H 1 0.940 0.02 . 2 . . . . 10 LEU HD1 . 16435 1 68 . 1 1 10 10 LEU HD13 H 1 0.940 0.02 . 2 . . . . 10 LEU HD1 . 16435 1 69 . 1 1 10 10 LEU HD21 H 1 0.859 0.02 . 2 . . . . 10 LEU HD2 . 16435 1 70 . 1 1 10 10 LEU HD22 H 1 0.859 0.02 . 2 . . . . 10 LEU HD2 . 16435 1 71 . 1 1 10 10 LEU HD23 H 1 0.859 0.02 . 2 . . . . 10 LEU HD2 . 16435 1 72 . 1 1 10 10 LEU HG H 1 1.418 0.02 . 1 . . . . 10 LEU HG . 16435 1 73 . 1 1 11 11 LYS H H 1 8.814 0.02 . 1 . . . . 11 LYS H . 16435 1 74 . 1 1 11 11 LYS HA H 1 4.534 0.02 . 1 . . . . 11 LYS HA . 16435 1 75 . 1 1 11 11 LYS HB2 H 1 1.563 0.02 . 2 . . . . 11 LYS HB2 . 16435 1 76 . 1 1 11 11 LYS HB3 H 1 1.778 0.02 . 2 . . . . 11 LYS HB3 . 16435 1 77 . 1 1 11 11 LYS HE2 H 1 2.926 0.02 . 2 . . . . 11 LYS HE2 . 16435 1 78 . 1 1 11 11 LYS HE3 H 1 2.926 0.02 . 2 . . . . 11 LYS HE3 . 16435 1 79 . 1 1 11 11 LYS HG2 H 1 1.351 0.02 . 2 . . . . 11 LYS HG2 . 16435 1 80 . 1 1 11 11 LYS HG3 H 1 1.662 0.02 . 2 . . . . 11 LYS HG3 . 16435 1 81 . 1 1 12 12 PRO HA H 1 4.565 0.02 . 1 . . . . 12 PRO HA . 16435 1 82 . 1 1 12 12 PRO HB2 H 1 1.860 0.02 . 2 . . . . 12 PRO HB2 . 16435 1 83 . 1 1 12 12 PRO HB3 H 1 1.817 0.02 . 2 . . . . 12 PRO HB3 . 16435 1 84 . 1 1 12 12 PRO HD2 H 1 3.602 0.02 . 2 . . . . 12 PRO HD2 . 16435 1 85 . 1 1 12 12 PRO HD3 H 1 3.328 0.02 . 2 . . . . 12 PRO HD3 . 16435 1 86 . 1 1 12 12 PRO HG2 H 1 1.463 0.02 . 2 . . . . 12 PRO HG2 . 16435 1 87 . 1 1 12 12 PRO HG3 H 1 2.007 0.02 . 2 . . . . 12 PRO HG3 . 16435 1 88 . 1 1 13 13 VAL H H 1 8.281 0.02 . 1 . . . . 13 VAL H . 16435 1 89 . 1 1 13 13 VAL HA H 1 4.674 0.02 . 1 . . . . 13 VAL HA . 16435 1 90 . 1 1 13 13 VAL HB H 1 2.121 0.02 . 1 . . . . 13 VAL HB . 16435 1 91 . 1 1 13 13 VAL HG11 H 1 0.928 0.02 . 2 . . . . 13 VAL HG1 . 16435 1 92 . 1 1 13 13 VAL HG12 H 1 0.928 0.02 . 2 . . . . 13 VAL HG1 . 16435 1 93 . 1 1 13 13 VAL HG13 H 1 0.928 0.02 . 2 . . . . 13 VAL HG1 . 16435 1 94 . 1 1 13 13 VAL HG21 H 1 0.535 0.02 . 2 . . . . 13 VAL HG2 . 16435 1 95 . 1 1 13 13 VAL HG22 H 1 0.535 0.02 . 2 . . . . 13 VAL HG2 . 16435 1 96 . 1 1 13 13 VAL HG23 H 1 0.535 0.02 . 2 . . . . 13 VAL HG2 . 16435 1 97 . 1 1 14 14 CYS H H 1 8.700 0.02 . 1 . . . . 14 CYS H . 16435 1 98 . 1 1 14 14 CYS HA H 1 5.206 0.02 . 1 . . . . 14 CYS HA . 16435 1 99 . 1 1 14 14 CYS HB2 H 1 2.556 0.02 . 2 . . . . 14 CYS HB2 . 16435 1 100 . 1 1 14 14 CYS HB3 H 1 3.088 0.02 . 2 . . . . 14 CYS HB3 . 16435 1 101 . 1 1 15 15 GLY H H 1 9.679 0.02 . 1 . . . . 15 GLY H . 16435 1 102 . 1 1 15 15 GLY HA2 H 1 4.752 0.02 . 2 . . . . 15 GLY HA2 . 16435 1 103 . 1 1 15 15 GLY HA3 H 1 4.117 0.02 . 2 . . . . 15 GLY HA3 . 16435 1 104 . 1 1 16 16 SER H H 1 8.994 0.02 . 1 . . . . 16 SER H . 16435 1 105 . 1 1 16 16 SER HA H 1 3.980 0.02 . 1 . . . . 16 SER HA . 16435 1 106 . 1 1 16 16 SER HB2 H 1 3.750 0.02 . 2 . . . . 16 SER HB2 . 16435 1 107 . 1 1 16 16 SER HB3 H 1 3.750 0.02 . 2 . . . . 16 SER HB3 . 16435 1 108 . 1 1 17 17 ASP H H 1 8.129 0.02 . 1 . . . . 17 ASP H . 16435 1 109 . 1 1 17 17 ASP HA H 1 4.516 0.02 . 1 . . . . 17 ASP HA . 16435 1 110 . 1 1 17 17 ASP HB2 H 1 3.079 0.02 . 2 . . . . 17 ASP HB2 . 16435 1 111 . 1 1 17 17 ASP HB3 H 1 2.727 0.02 . 2 . . . . 17 ASP HB3 . 16435 1 112 . 1 1 18 18 GLY H H 1 8.357 0.02 . 1 . . . . 18 GLY H . 16435 1 113 . 1 1 18 18 GLY HA2 H 1 3.698 0.02 . 2 . . . . 18 GLY HA2 . 16435 1 114 . 1 1 18 18 GLY HA3 H 1 4.024 0.02 . 2 . . . . 18 GLY HA3 . 16435 1 115 . 1 1 19 19 ARG H H 1 7.468 0.02 . 1 . . . . 19 ARG H . 16435 1 116 . 1 1 19 19 ARG HA H 1 4.400 0.02 . 1 . . . . 19 ARG HA . 16435 1 117 . 1 1 19 19 ARG HB2 H 1 1.648 0.02 . 2 . . . . 19 ARG HB2 . 16435 1 118 . 1 1 19 19 ARG HB3 H 1 1.299 0.02 . 2 . . . . 19 ARG HB3 . 16435 1 119 . 1 1 19 19 ARG HD2 H 1 2.961 0.02 . 2 . . . . 19 ARG HD2 . 16435 1 120 . 1 1 19 19 ARG HD3 H 1 2.997 0.02 . 2 . . . . 19 ARG HD3 . 16435 1 121 . 1 1 19 19 ARG HE H 1 6.933 0.02 . 1 . . . . 19 ARG HE . 16435 1 122 . 1 1 19 19 ARG HG2 H 1 1.190 0.02 . 2 . . . . 19 ARG HG2 . 16435 1 123 . 1 1 19 19 ARG HG3 H 1 1.190 0.02 . 2 . . . . 19 ARG HG3 . 16435 1 124 . 1 1 20 20 THR H H 1 8.289 0.02 . 1 . . . . 20 THR H . 16435 1 125 . 1 1 20 20 THR HA H 1 4.949 0.02 . 1 . . . . 20 THR HA . 16435 1 126 . 1 1 20 20 THR HB H 1 3.822 0.02 . 1 . . . . 20 THR HB . 16435 1 127 . 1 1 20 20 THR HG21 H 1 1.079 0.02 . 1 . . . . 20 THR HG2 . 16435 1 128 . 1 1 20 20 THR HG22 H 1 1.079 0.02 . 1 . . . . 20 THR HG2 . 16435 1 129 . 1 1 20 20 THR HG23 H 1 1.079 0.02 . 1 . . . . 20 THR HG2 . 16435 1 130 . 1 1 21 21 TYR H H 1 9.151 0.02 . 1 . . . . 21 TYR H . 16435 1 131 . 1 1 21 21 TYR HA H 1 4.547 0.02 . 1 . . . . 21 TYR HA . 16435 1 132 . 1 1 21 21 TYR HB2 H 1 2.398 0.02 . 2 . . . . 21 TYR HB2 . 16435 1 133 . 1 1 21 21 TYR HB3 H 1 2.812 0.02 . 2 . . . . 21 TYR HB3 . 16435 1 134 . 1 1 21 21 TYR HD1 H 1 7.048 0.02 . 1 . . . . 21 TYR HD1 . 16435 1 135 . 1 1 21 21 TYR HD2 H 1 7.048 0.02 . 1 . . . . 21 TYR HD2 . 16435 1 136 . 1 1 21 21 TYR HE1 H 1 6.893 0.02 . 1 . . . . 21 TYR HE1 . 16435 1 137 . 1 1 21 21 TYR HE2 H 1 6.893 0.02 . 1 . . . . 21 TYR HE2 . 16435 1 138 . 1 1 22 22 ALA H H 1 8.868 0.02 . 1 . . . . 22 ALA H . 16435 1 139 . 1 1 22 22 ALA HA H 1 3.855 0.02 . 1 . . . . 22 ALA HA . 16435 1 140 . 1 1 22 22 ALA HB1 H 1 1.383 0.02 . 1 . . . . 22 ALA HB . 16435 1 141 . 1 1 22 22 ALA HB2 H 1 1.383 0.02 . 1 . . . . 22 ALA HB . 16435 1 142 . 1 1 22 22 ALA HB3 H 1 1.383 0.02 . 1 . . . . 22 ALA HB . 16435 1 143 . 1 1 23 23 ASN H H 1 7.111 0.02 . 1 . . . . 23 ASN H . 16435 1 144 . 1 1 23 23 ASN HA H 1 4.915 0.02 . 1 . . . . 23 ASN HA . 16435 1 145 . 1 1 23 23 ASN HB2 H 1 2.994 0.02 . 2 . . . . 23 ASN HB2 . 16435 1 146 . 1 1 23 23 ASN HB3 H 1 3.357 0.02 . 2 . . . . 23 ASN HB3 . 16435 1 147 . 1 1 23 23 ASN HD21 H 1 6.847 0.02 . 2 . . . . 23 ASN HD21 . 16435 1 148 . 1 1 23 23 ASN HD22 H 1 6.366 0.02 . 2 . . . . 23 ASN HD22 . 16435 1 149 . 1 1 24 24 SER H H 1 9.381 0.02 . 1 . . . . 24 SER H . 16435 1 150 . 1 1 24 24 SER HA H 1 3.903 0.02 . 1 . . . . 24 SER HA . 16435 1 151 . 1 1 25 25 CYS H H 1 7.999 0.02 . 1 . . . . 25 CYS H . 16435 1 152 . 1 1 25 25 CYS HA H 1 4.189 0.02 . 1 . . . . 25 CYS HA . 16435 1 153 . 1 1 25 25 CYS HB2 H 1 3.038 0.02 . 2 . . . . 25 CYS HB2 . 16435 1 154 . 1 1 25 25 CYS HB3 H 1 3.383 0.02 . 2 . . . . 25 CYS HB3 . 16435 1 155 . 1 1 26 26 ILE H H 1 8.210 0.02 . 1 . . . . 26 ILE H . 16435 1 156 . 1 1 26 26 ILE HA H 1 3.604 0.02 . 1 . . . . 26 ILE HA . 16435 1 157 . 1 1 26 26 ILE HB H 1 1.801 0.02 . 1 . . . . 26 ILE HB . 16435 1 158 . 1 1 26 26 ILE HG12 H 1 1.145 0.02 . 2 . . . . 26 ILE HG12 . 16435 1 159 . 1 1 26 26 ILE HG13 H 1 1.145 0.02 . 2 . . . . 26 ILE HG13 . 16435 1 160 . 1 1 26 26 ILE HG21 H 1 0.895 0.02 . 1 . . . . 26 ILE HG2 . 16435 1 161 . 1 1 26 26 ILE HG22 H 1 0.895 0.02 . 1 . . . . 26 ILE HG2 . 16435 1 162 . 1 1 26 26 ILE HG23 H 1 0.895 0.02 . 1 . . . . 26 ILE HG2 . 16435 1 163 . 1 1 27 27 ALA H H 1 7.334 0.02 . 1 . . . . 27 ALA H . 16435 1 164 . 1 1 27 27 ALA HA H 1 2.808 0.02 . 1 . . . . 27 ALA HA . 16435 1 165 . 1 1 27 27 ALA HB1 H 1 0.899 0.02 . 1 . . . . 27 ALA HB . 16435 1 166 . 1 1 27 27 ALA HB2 H 1 0.899 0.02 . 1 . . . . 27 ALA HB . 16435 1 167 . 1 1 27 27 ALA HB3 H 1 0.899 0.02 . 1 . . . . 27 ALA HB . 16435 1 168 . 1 1 28 28 ARG H H 1 7.858 0.02 . 1 . . . . 28 ARG H . 16435 1 169 . 1 1 28 28 ARG HA H 1 3.958 0.02 . 1 . . . . 28 ARG HA . 16435 1 170 . 1 1 28 28 ARG HB2 H 1 1.893 0.02 . 2 . . . . 28 ARG HB2 . 16435 1 171 . 1 1 28 28 ARG HB3 H 1 1.864 0.02 . 2 . . . . 28 ARG HB3 . 16435 1 172 . 1 1 28 28 ARG HD2 H 1 3.143 0.02 . 2 . . . . 28 ARG HD2 . 16435 1 173 . 1 1 28 28 ARG HD3 H 1 3.143 0.02 . 2 . . . . 28 ARG HD3 . 16435 1 174 . 1 1 28 28 ARG HE H 1 7.129 0.02 . 1 . . . . 28 ARG HE . 16435 1 175 . 1 1 28 28 ARG HG2 H 1 1.721 0.02 . 2 . . . . 28 ARG HG2 . 16435 1 176 . 1 1 28 28 ARG HG3 H 1 1.583 0.02 . 2 . . . . 28 ARG HG3 . 16435 1 177 . 1 1 29 29 CYS H H 1 8.535 0.02 . 1 . . . . 29 CYS H . 16435 1 178 . 1 1 29 29 CYS HA H 1 4.140 0.02 . 1 . . . . 29 CYS HA . 16435 1 179 . 1 1 29 29 CYS HB2 H 1 3.479 0.02 . 2 . . . . 29 CYS HB2 . 16435 1 180 . 1 1 29 29 CYS HB3 H 1 3.283 0.02 . 2 . . . . 29 CYS HB3 . 16435 1 181 . 1 1 30 30 ASN H H 1 7.413 0.02 . 1 . . . . 30 ASN H . 16435 1 182 . 1 1 30 30 ASN HA H 1 4.551 0.02 . 1 . . . . 30 ASN HA . 16435 1 183 . 1 1 30 30 ASN HB2 H 1 2.409 0.02 . 2 . . . . 30 ASN HB2 . 16435 1 184 . 1 1 30 30 ASN HB3 H 1 2.841 0.02 . 2 . . . . 30 ASN HB3 . 16435 1 185 . 1 1 30 30 ASN HD21 H 1 7.429 0.02 . 2 . . . . 30 ASN HD21 . 16435 1 186 . 1 1 30 30 ASN HD22 H 1 7.287 0.02 . 2 . . . . 30 ASN HD22 . 16435 1 187 . 1 1 31 31 GLY H H 1 7.929 0.02 . 1 . . . . 31 GLY H . 16435 1 188 . 1 1 31 31 GLY HA2 H 1 3.745 0.02 . 2 . . . . 31 GLY HA2 . 16435 1 189 . 1 1 31 31 GLY HA3 H 1 3.919 0.02 . 2 . . . . 31 GLY HA3 . 16435 1 190 . 1 1 32 32 VAL H H 1 7.327 0.02 . 1 . . . . 32 VAL H . 16435 1 191 . 1 1 32 32 VAL HA H 1 4.223 0.02 . 1 . . . . 32 VAL HA . 16435 1 192 . 1 1 32 32 VAL HB H 1 1.849 0.02 . 1 . . . . 32 VAL HB . 16435 1 193 . 1 1 32 32 VAL HG11 H 1 0.886 0.02 . 2 . . . . 32 VAL HG1 . 16435 1 194 . 1 1 32 32 VAL HG12 H 1 0.886 0.02 . 2 . . . . 32 VAL HG1 . 16435 1 195 . 1 1 32 32 VAL HG13 H 1 0.886 0.02 . 2 . . . . 32 VAL HG1 . 16435 1 196 . 1 1 32 32 VAL HG21 H 1 0.618 0.02 . 2 . . . . 32 VAL HG2 . 16435 1 197 . 1 1 32 32 VAL HG22 H 1 0.618 0.02 . 2 . . . . 32 VAL HG2 . 16435 1 198 . 1 1 32 32 VAL HG23 H 1 0.618 0.02 . 2 . . . . 32 VAL HG2 . 16435 1 199 . 1 1 33 33 SER H H 1 8.043 0.02 . 1 . . . . 33 SER H . 16435 1 200 . 1 1 33 33 SER HA H 1 4.392 0.02 . 1 . . . . 33 SER HA . 16435 1 201 . 1 1 33 33 SER HB2 H 1 3.803 0.02 . 2 . . . . 33 SER HB2 . 16435 1 202 . 1 1 33 33 SER HB3 H 1 3.781 0.02 . 2 . . . . 33 SER HB3 . 16435 1 203 . 1 1 34 34 ILE H H 1 8.560 0.02 . 1 . . . . 34 ILE H . 16435 1 204 . 1 1 34 34 ILE HA H 1 3.874 0.02 . 1 . . . . 34 ILE HA . 16435 1 205 . 1 1 34 34 ILE HB H 1 1.756 0.02 . 1 . . . . 34 ILE HB . 16435 1 206 . 1 1 34 34 ILE HD11 H 1 0.658 0.02 . 1 . . . . 34 ILE HD1 . 16435 1 207 . 1 1 34 34 ILE HD12 H 1 0.658 0.02 . 1 . . . . 34 ILE HD1 . 16435 1 208 . 1 1 34 34 ILE HD13 H 1 0.658 0.02 . 1 . . . . 34 ILE HD1 . 16435 1 209 . 1 1 34 34 ILE HG12 H 1 1.384 0.02 . 2 . . . . 34 ILE HG12 . 16435 1 210 . 1 1 34 34 ILE HG13 H 1 0.930 0.02 . 2 . . . . 34 ILE HG13 . 16435 1 211 . 1 1 34 34 ILE HG21 H 1 0.784 0.02 . 1 . . . . 34 ILE HG2 . 16435 1 212 . 1 1 34 34 ILE HG22 H 1 0.784 0.02 . 1 . . . . 34 ILE HG2 . 16435 1 213 . 1 1 34 34 ILE HG23 H 1 0.784 0.02 . 1 . . . . 34 ILE HG2 . 16435 1 214 . 1 1 35 35 LYS H H 1 9.186 0.02 . 1 . . . . 35 LYS H . 16435 1 215 . 1 1 35 35 LYS HA H 1 4.255 0.02 . 1 . . . . 35 LYS HA . 16435 1 216 . 1 1 35 35 LYS HB2 H 1 1.591 0.02 . 2 . . . . 35 LYS HB2 . 16435 1 217 . 1 1 35 35 LYS HB3 H 1 1.385 0.02 . 2 . . . . 35 LYS HB3 . 16435 1 218 . 1 1 35 35 LYS HD2 H 1 1.297 0.02 . 2 . . . . 35 LYS HD2 . 16435 1 219 . 1 1 35 35 LYS HD3 H 1 1.257 0.02 . 2 . . . . 35 LYS HD3 . 16435 1 220 . 1 1 35 35 LYS HG2 H 1 1.389 0.02 . 2 . . . . 35 LYS HG2 . 16435 1 221 . 1 1 35 35 LYS HG3 H 1 1.389 0.02 . 2 . . . . 35 LYS HG3 . 16435 1 222 . 1 1 36 36 SER H H 1 7.747 0.02 . 1 . . . . 36 SER H . 16435 1 223 . 1 1 36 36 SER HA H 1 4.511 0.02 . 1 . . . . 36 SER HA . 16435 1 224 . 1 1 36 36 SER HB2 H 1 3.836 0.02 . 2 . . . . 36 SER HB2 . 16435 1 225 . 1 1 36 36 SER HB3 H 1 3.780 0.02 . 2 . . . . 36 SER HB3 . 16435 1 226 . 1 1 37 37 GLU H H 1 8.613 0.02 . 1 . . . . 37 GLU H . 16435 1 227 . 1 1 37 37 GLU HA H 1 4.314 0.02 . 1 . . . . 37 GLU HA . 16435 1 228 . 1 1 37 37 GLU HB2 H 1 2.167 0.02 . 2 . . . . 37 GLU HB2 . 16435 1 229 . 1 1 37 37 GLU HB3 H 1 1.926 0.02 . 2 . . . . 37 GLU HB3 . 16435 1 230 . 1 1 37 37 GLU HG2 H 1 2.515 0.02 . 2 . . . . 37 GLU HG2 . 16435 1 231 . 1 1 37 37 GLU HG3 H 1 2.419 0.02 . 2 . . . . 37 GLU HG3 . 16435 1 232 . 1 1 38 38 GLY H H 1 8.000 0.02 . 1 . . . . 38 GLY H . 16435 1 233 . 1 1 38 38 GLY HA2 H 1 3.492 0.02 . 2 . . . . 38 GLY HA2 . 16435 1 234 . 1 1 38 38 GLY HA3 H 1 4.241 0.02 . 2 . . . . 38 GLY HA3 . 16435 1 235 . 1 1 39 39 SER H H 1 7.781 0.02 . 1 . . . . 39 SER H . 16435 1 236 . 1 1 39 39 SER HA H 1 4.103 0.02 . 1 . . . . 39 SER HA . 16435 1 237 . 1 1 39 39 SER HB2 H 1 3.700 0.02 . 2 . . . . 39 SER HB2 . 16435 1 238 . 1 1 39 39 SER HB3 H 1 3.660 0.02 . 2 . . . . 39 SER HB3 . 16435 1 239 . 1 1 40 40 CYS H H 1 8.401 0.02 . 1 . . . . 40 CYS H . 16435 1 240 . 1 1 40 40 CYS HA H 1 4.625 0.02 . 1 . . . . 40 CYS HA . 16435 1 241 . 1 1 40 40 CYS HB2 H 1 2.443 0.02 . 2 . . . . 40 CYS HB2 . 16435 1 242 . 1 1 40 40 CYS HB3 H 1 3.042 0.02 . 2 . . . . 40 CYS HB3 . 16435 1 243 . 1 1 41 41 PRO HA H 1 4.409 0.02 . 1 . . . . 41 PRO HA . 16435 1 244 . 1 1 41 41 PRO HB2 H 1 2.227 0.02 . 2 . . . . 41 PRO HB2 . 16435 1 245 . 1 1 41 41 PRO HB3 H 1 1.860 0.02 . 2 . . . . 41 PRO HB3 . 16435 1 246 . 1 1 41 41 PRO HD2 H 1 3.592 0.02 . 2 . . . . 41 PRO HD2 . 16435 1 247 . 1 1 41 41 PRO HD3 H 1 3.699 0.02 . 2 . . . . 41 PRO HD3 . 16435 1 248 . 1 1 41 41 PRO HG2 H 1 1.960 0.02 . 2 . . . . 41 PRO HG2 . 16435 1 249 . 1 1 41 41 PRO HG3 H 1 1.960 0.02 . 2 . . . . 41 PRO HG3 . 16435 1 250 . 1 1 42 42 THR H H 1 8.195 0.02 . 1 . . . . 42 THR H . 16435 1 251 . 1 1 42 42 THR HA H 1 4.182 0.02 . 1 . . . . 42 THR HA . 16435 1 252 . 1 1 42 42 THR HB H 1 4.112 0.02 . 1 . . . . 42 THR HB . 16435 1 253 . 1 1 42 42 THR HG21 H 1 1.129 0.02 . 1 . . . . 42 THR HG2 . 16435 1 254 . 1 1 42 42 THR HG22 H 1 1.129 0.02 . 1 . . . . 42 THR HG2 . 16435 1 255 . 1 1 42 42 THR HG23 H 1 1.129 0.02 . 1 . . . . 42 THR HG2 . 16435 1 256 . 1 1 43 43 GLY H H 1 8.303 0.02 . 1 . . . . 43 GLY H . 16435 1 257 . 1 1 43 43 GLY HA2 H 1 3.901 0.02 . 2 . . . . 43 GLY HA2 . 16435 1 258 . 1 1 43 43 GLY HA3 H 1 3.901 0.02 . 2 . . . . 43 GLY HA3 . 16435 1 259 . 1 1 44 44 ILE H H 1 7.942 0.02 . 1 . . . . 44 ILE H . 16435 1 260 . 1 1 44 44 ILE HA H 1 4.240 0.02 . 1 . . . . 44 ILE HA . 16435 1 261 . 1 1 44 44 ILE HB H 1 1.849 0.02 . 1 . . . . 44 ILE HB . 16435 1 262 . 1 1 44 44 ILE HD11 H 1 0.798 0.02 . 1 . . . . 44 ILE HD1 . 16435 1 263 . 1 1 44 44 ILE HD12 H 1 0.798 0.02 . 1 . . . . 44 ILE HD1 . 16435 1 264 . 1 1 44 44 ILE HD13 H 1 0.798 0.02 . 1 . . . . 44 ILE HD1 . 16435 1 265 . 1 1 44 44 ILE HG12 H 1 1.345 0.02 . 2 . . . . 44 ILE HG12 . 16435 1 266 . 1 1 44 44 ILE HG13 H 1 1.128 0.02 . 2 . . . . 44 ILE HG13 . 16435 1 267 . 1 1 44 44 ILE HG21 H 1 0.847 0.02 . 1 . . . . 44 ILE HG2 . 16435 1 268 . 1 1 44 44 ILE HG22 H 1 0.847 0.02 . 1 . . . . 44 ILE HG2 . 16435 1 269 . 1 1 44 44 ILE HG23 H 1 0.847 0.02 . 1 . . . . 44 ILE HG2 . 16435 1 stop_ save_