################################### # 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 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts _Assigned_chem_shift_list.Entry_ID 16589 _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' . . . 16589 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 2 2 GLN H H 1 8.787 . . 1 . . . . 2 GLN HN . 16589 1 2 . 1 1 2 2 GLN HA H 1 4.562 . . 1 . . . . 2 GLN HA . 16589 1 3 . 1 1 2 2 GLN HB2 H 1 2.050 . . 2 . . . . 2 GLN HB1 . 16589 1 4 . 1 1 2 2 GLN HB3 H 1 2.251 . . 2 . . . . 2 GLN HB2 . 16589 1 5 . 1 1 2 2 GLN HE21 H 1 6.830 . . 2 . . . . 2 GLN HE21 . 16589 1 6 . 1 1 2 2 GLN HE22 H 1 7.460 . . 2 . . . . 2 GLN HE22 . 16589 1 7 . 1 1 2 2 GLN HG2 H 1 2.420 . . 2 . . . . 2 GLN HG2 . 16589 1 8 . 1 1 3 3 VAL H H 1 8.266 . . 1 . . . . 3 VAL HN . 16589 1 9 . 1 1 3 3 VAL HA H 1 3.853 . . 1 . . . . 3 VAL HA . 16589 1 10 . 1 1 3 3 VAL HB H 1 2.030 . . 1 . . . . 3 VAL HB . 16589 1 11 . 1 1 3 3 VAL HG11 H 1 0.983 . . 2 . . . . 3 VAL HG11 . 16589 1 12 . 1 1 3 3 VAL HG12 H 1 0.983 . . 2 . . . . 3 VAL HG11 . 16589 1 13 . 1 1 3 3 VAL HG13 H 1 0.983 . . 2 . . . . 3 VAL HG11 . 16589 1 14 . 1 1 3 3 VAL HG21 H 1 1.083 . . 2 . . . . 3 VAL HG21 . 16589 1 15 . 1 1 3 3 VAL HG22 H 1 1.083 . . 2 . . . . 3 VAL HG21 . 16589 1 16 . 1 1 3 3 VAL HG23 H 1 1.083 . . 2 . . . . 3 VAL HG21 . 16589 1 17 . 1 1 4 4 VAL H H 1 7.962 . . 1 . . . . 4 VAL HN . 16589 1 18 . 1 1 4 4 VAL HA H 1 3.845 . . 1 . . . . 4 VAL HA . 16589 1 19 . 1 1 4 4 VAL HB H 1 2.134 . . 1 . . . . 4 VAL HB . 16589 1 20 . 1 1 4 4 VAL HG11 H 1 0.968 . . 2 . . . . 4 VAL HG11 . 16589 1 21 . 1 1 4 4 VAL HG12 H 1 0.968 . . 2 . . . . 4 VAL HG11 . 16589 1 22 . 1 1 4 4 VAL HG13 H 1 0.968 . . 2 . . . . 4 VAL HG11 . 16589 1 23 . 1 1 4 4 VAL HG21 H 1 1.065 . . 2 . . . . 4 VAL HG21 . 16589 1 24 . 1 1 4 4 VAL HG22 H 1 1.065 . . 2 . . . . 4 VAL HG21 . 16589 1 25 . 1 1 4 4 VAL HG23 H 1 1.065 . . 2 . . . . 4 VAL HG21 . 16589 1 26 . 1 1 5 5 ALA H H 1 7.829 . . 1 . . . . 5 ALA HN . 16589 1 27 . 1 1 5 5 ALA HA H 1 4.221 . . 1 . . . . 5 ALA HA . 16589 1 28 . 1 1 5 5 ALA HB1 H 1 1.463 . . 1 . . . . 5 ALA HB1 . 16589 1 29 . 1 1 5 5 ALA HB2 H 1 1.463 . . 1 . . . . 5 ALA HB1 . 16589 1 30 . 1 1 5 5 ALA HB3 H 1 1.463 . . 1 . . . . 5 ALA HB1 . 16589 1 31 . 1 1 6 6 ILE H H 1 7.863 . . 1 . . . . 6 ILE HN . 16589 1 32 . 1 1 6 6 ILE HA H 1 4.127 . . 1 . . . . 6 ILE HA . 16589 1 33 . 1 1 6 6 ILE HB H 1 1.936 . . 1 . . . . 6 ILE HB . 16589 1 34 . 1 1 6 6 ILE HD11 H 1 0.980 . . 1 . . . . 6 ILE HD11 . 16589 1 35 . 1 1 6 6 ILE HD12 H 1 0.980 . . 1 . . . . 6 ILE HD11 . 16589 1 36 . 1 1 6 6 ILE HD13 H 1 0.980 . . 1 . . . . 6 ILE HD11 . 16589 1 37 . 1 1 6 6 ILE HG12 H 1 1.181 . . 1 . . . . 6 ILE HG12 . 16589 1 38 . 1 1 7 7 ALA H H 1 8.221 . . 1 . . . . 7 ALA HN . 16589 1 39 . 1 1 7 7 ALA HA H 1 4.118 . . 1 . . . . 7 ALA HA . 16589 1 40 . 1 1 7 7 ALA HB1 H 1 1.469 . . 1 . . . . 7 ALA HB1 . 16589 1 41 . 1 1 7 7 ALA HB2 H 1 1.469 . . 1 . . . . 7 ALA HB1 . 16589 1 42 . 1 1 7 7 ALA HB3 H 1 1.469 . . 1 . . . . 7 ALA HB1 . 16589 1 43 . 1 1 8 8 SER H H 1 8.167 . . 1 . . . . 8 SER HN . 16589 1 44 . 1 1 8 8 SER HA H 1 4.288 . . 1 . . . . 8 SER HA . 16589 1 45 . 1 1 8 8 SER HB2 H 1 3.927 . . 2 . . . . 8 SER HB1 . 16589 1 46 . 1 1 8 8 SER HB3 H 1 3.975 . . 2 . . . . 8 SER HB2 . 16589 1 47 . 1 1 9 9 ASN H H 1 7.974 . . 1 . . . . 9 ASN HN . 16589 1 48 . 1 1 9 9 ASN HA H 1 4.761 . . 1 . . . . 9 ASN HA . 16589 1 49 . 1 1 9 9 ASN HB2 H 1 2.840 . . 2 . . . . 9 ASN HB1 . 16589 1 50 . 1 1 9 9 ASN HB3 H 1 2.940 . . 2 . . . . 9 ASN HB2 . 16589 1 51 . 1 1 9 9 ASN HD21 H 1 7.610 . . 2 . . . . 9 ASN HD21 . 16589 1 52 . 1 1 9 9 ASN HD22 H 1 6.920 . . 2 . . . . 9 ASN HD22 . 16589 1 53 . 1 1 10 10 ILE H H 1 7.703 . . 1 . . . . 10 ILE HN . 16589 1 54 . 1 1 10 10 ILE HA H 1 4.170 . . 1 . . . . 10 ILE HA . 16589 1 55 . 1 1 10 10 ILE HB H 1 1.983 . . 1 . . . . 10 ILE HB . 16589 1 56 . 1 1 10 10 ILE HD11 H 1 0.980 . . 1 . . . . 10 ILE HD11 . 16589 1 57 . 1 1 10 10 ILE HD12 H 1 0.980 . . 1 . . . . 10 ILE HD11 . 16589 1 58 . 1 1 10 10 ILE HD13 H 1 0.980 . . 1 . . . . 10 ILE HD11 . 16589 1 59 . 1 1 10 10 ILE HG12 H 1 1.295 . . 1 . . . . 10 ILE HG12 . 16589 1 60 . 1 1 10 10 ILE HG21 H 1 0.880 . . 1 . . . . 10 ILE HG21 . 16589 1 61 . 1 1 10 10 ILE HG22 H 1 0.880 . . 1 . . . . 10 ILE HG21 . 16589 1 62 . 1 1 10 10 ILE HG23 H 1 0.880 . . 1 . . . . 10 ILE HG21 . 16589 1 63 . 1 1 11 11 GLY H H 1 8.349 . . 1 . . . . 11 GLY HN . 16589 1 64 . 1 1 11 11 GLY HA2 H 1 3.870 . . 2 . . . . 11 GLY HA1 . 16589 1 65 . 1 1 12 12 GLY H H 1 8.360 . . 1 . . . . 12 GLY HN . 16589 1 66 . 1 1 12 12 GLY HA2 H 1 3.944 . . 2 . . . . 12 GLY HA1 . 16589 1 67 . 1 1 13 13 LYS H H 1 8.163 . . 1 . . . . 13 LYS HN . 16589 1 68 . 1 1 13 13 LYS HA H 1 4.141 . . 1 . . . . 13 LYS HA . 16589 1 69 . 1 1 13 13 LYS HB2 H 1 1.861 . . 2 . . . . 13 LYS HB2 . 16589 1 70 . 1 1 13 13 LYS HD2 H 1 1.711 . . 2 . . . . 13 LYS HD2 . 16589 1 71 . 1 1 13 13 LYS HE2 H 1 3.000 . . 2 . . . . 13 LYS HE2 . 16589 1 72 . 1 1 13 13 LYS HG2 H 1 1.461 . . 2 . . . . 13 LYS HG2 . 16589 1 73 . 1 1 13 13 LYS HZ1 H 1 7.500 . . 1 . . . . 13 LYS HZ1 . 16589 1 74 . 1 1 13 13 LYS HZ2 H 1 7.500 . . 1 . . . . 13 LYS HZ1 . 16589 1 75 . 1 1 13 13 LYS HZ3 H 1 7.500 . . 1 . . . . 13 LYS HZ1 . 16589 1 76 . 1 1 14 14 GLN H H 1 7.984 . . 1 . . . . 14 GLN HN . 16589 1 77 . 1 1 14 14 GLN HA H 1 4.096 . . 1 . . . . 14 GLN HA . 16589 1 78 . 1 1 14 14 GLN HB2 H 1 2.120 . . 2 . . . . 14 GLN HB1 . 16589 1 79 . 1 1 15 15 ALA H H 1 7.977 . . 1 . . . . 15 ALA HN . 16589 1 80 . 1 1 15 15 ALA HA H 1 4.264 . . 1 . . . . 15 ALA HA . 16589 1 81 . 1 1 15 15 ALA HB1 H 1 1.422 . . 1 . . . . 15 ALA HB1 . 16589 1 82 . 1 1 15 15 ALA HB2 H 1 1.422 . . 1 . . . . 15 ALA HB1 . 16589 1 83 . 1 1 15 15 ALA HB3 H 1 1.422 . . 1 . . . . 15 ALA HB1 . 16589 1 84 . 1 1 16 16 LEU H H 1 8.093 . . 1 . . . . 16 LEU HN . 16589 1 85 . 1 1 16 16 LEU HA H 1 4.239 . . 1 . . . . 16 LEU HA . 16589 1 86 . 1 1 16 16 LEU HB2 H 1 1.860 . . 2 . . . . 16 LEU HB2 . 16589 1 87 . 1 1 16 16 LEU HD11 H 1 0.938 . . 2 . . . . 16 LEU HD11 . 16589 1 88 . 1 1 16 16 LEU HD12 H 1 0.938 . . 2 . . . . 16 LEU HD11 . 16589 1 89 . 1 1 16 16 LEU HD13 H 1 0.938 . . 2 . . . . 16 LEU HD11 . 16589 1 90 . 1 1 16 16 LEU HD21 H 1 1.006 . . 2 . . . . 16 LEU HD21 . 16589 1 91 . 1 1 16 16 LEU HD22 H 1 1.006 . . 2 . . . . 16 LEU HD21 . 16589 1 92 . 1 1 16 16 LEU HD23 H 1 1.006 . . 2 . . . . 16 LEU HD21 . 16589 1 93 . 1 1 16 16 LEU HG H 1 1.860 . . 1 . . . . 16 LEU HG . 16589 1 94 . 1 1 17 17 GLU H H 1 8.233 . . 1 . . . . 17 GLU HN . 16589 1 95 . 1 1 17 17 GLU HA H 1 4.178 . . 1 . . . . 17 GLU HA . 16589 1 96 . 1 1 17 17 GLU HB2 H 1 2.068 . . 2 . . . . 17 GLU HB1 . 16589 1 97 . 1 1 17 17 GLU HB3 H 1 2.126 . . 2 . . . . 17 GLU HB2 . 16589 1 98 . 1 1 17 17 GLU HG2 H 1 2.389 . . 2 . . . . 17 GLU HG2 . 16589 1 99 . 1 1 18 18 THR H H 1 8.031 . . 1 . . . . 18 THR HN . 16589 1 100 . 1 1 18 18 THR HA H 1 4.283 . . 1 . . . . 18 THR HA . 16589 1 101 . 1 1 18 18 THR HB H 1 4.255 . . 1 . . . . 18 THR HB . 16589 1 102 . 1 1 18 18 THR HG21 H 1 1.424 . . 1 . . . . 18 THR HG21 . 16589 1 103 . 1 1 18 18 THR HG22 H 1 1.424 . . 1 . . . . 18 THR HG21 . 16589 1 104 . 1 1 18 18 THR HG23 H 1 1.424 . . 1 . . . . 18 THR HG21 . 16589 1 105 . 1 1 19 19 VAL H H 1 7.959 . . 1 . . . . 19 VAL HN . 16589 1 106 . 1 1 19 19 VAL HA H 1 3.783 . . 1 . . . . 19 VAL HA . 16589 1 107 . 1 1 19 19 VAL HB H 1 1.985 . . 1 . . . . 19 VAL HB . 16589 1 108 . 1 1 19 19 VAL HG11 H 1 0.967 . . 2 . . . . 19 VAL HG11 . 16589 1 109 . 1 1 19 19 VAL HG12 H 1 0.967 . . 2 . . . . 19 VAL HG11 . 16589 1 110 . 1 1 19 19 VAL HG13 H 1 0.967 . . 2 . . . . 19 VAL HG11 . 16589 1 111 . 1 1 19 19 VAL HG21 H 1 1.011 . . 2 . . . . 19 VAL HG21 . 16589 1 112 . 1 1 19 19 VAL HG22 H 1 1.011 . . 2 . . . . 19 VAL HG21 . 16589 1 113 . 1 1 19 19 VAL HG23 H 1 1.011 . . 2 . . . . 19 VAL HG21 . 16589 1 114 . 1 1 20 20 GLN H H 1 8.268 . . 1 . . . . 20 GLN HN . 16589 1 115 . 1 1 20 20 GLN HA H 1 3.958 . . 1 . . . . 20 GLN HA . 16589 1 116 . 1 1 20 20 GLN HB2 H 1 2.210 . . 2 . . . . 20 GLN HB2 . 16589 1 117 . 1 1 20 20 GLN HG2 H 1 2.388 . . 2 . . . . 20 GLN HG2 . 16589 1 118 . 1 1 21 21 ARG H H 1 7.691 . . 1 . . . . 21 ARG HN . 16589 1 119 . 1 1 21 21 ARG HA H 1 4.226 . . 1 . . . . 21 ARG HA . 16589 1 120 . 1 1 21 21 ARG HB2 H 1 1.797 . . 2 . . . . 21 ARG HB1 . 16589 1 121 . 1 1 21 21 ARG HB3 H 1 1.985 . . 2 . . . . 21 ARG HB2 . 16589 1 122 . 1 1 21 21 ARG HD2 H 1 3.330 . . 2 . . . . 21 ARG HD1 . 16589 1 123 . 1 1 21 21 ARG HD3 H 1 3.237 . . 2 . . . . 21 ARG HD2 . 16589 1 124 . 1 1 21 21 ARG HE H 1 7.328 . . 1 . . . . 21 ARG HE . 16589 1 125 . 1 1 21 21 ARG HG2 H 1 1.692 . . 2 . . . . 21 ARG HG2 . 16589 1 126 . 1 1 22 22 LEU H H 1 7.890 . . 1 . . . . 22 LEU HN . 16589 1 127 . 1 1 22 22 LEU HA H 1 4.664 . . 1 . . . . 22 LEU HA . 16589 1 128 . 1 1 22 22 LEU HB2 H 1 1.952 . . 2 . . . . 22 LEU HB1 . 16589 1 129 . 1 1 22 22 LEU HB3 H 1 1.967 . . 2 . . . . 22 LEU HB2 . 16589 1 130 . 1 1 22 22 LEU HG H 1 1.520 . . 1 . . . . 22 LEU HG . 16589 1 131 . 1 1 23 23 LEU H H 1 7.800 . . 1 . . . . 23 LEU HN . 16589 1 132 . 1 1 23 23 LEU HA H 1 4.738 . . 1 . . . . 23 LEU HA . 16589 1 133 . 1 1 23 23 LEU HB2 H 1 1.740 . . 2 . . . . 23 LEU HB1 . 16589 1 134 . 1 1 23 23 LEU HB3 H 1 1.630 . . 2 . . . . 23 LEU HB2 . 16589 1 135 . 1 1 23 23 LEU HD11 H 1 0.886 . . 2 . . . . 23 LEU HD11 . 16589 1 136 . 1 1 23 23 LEU HD12 H 1 0.886 . . 2 . . . . 23 LEU HD11 . 16589 1 137 . 1 1 23 23 LEU HD13 H 1 0.886 . . 2 . . . . 23 LEU HD11 . 16589 1 138 . 1 1 23 23 LEU HD21 H 1 0.945 . . 2 . . . . 23 LEU HD21 . 16589 1 139 . 1 1 23 23 LEU HD22 H 1 0.945 . . 2 . . . . 23 LEU HD21 . 16589 1 140 . 1 1 23 23 LEU HD23 H 1 0.945 . . 2 . . . . 23 LEU HD21 . 16589 1 141 . 1 1 23 23 LEU HG H 1 1.470 . . 1 . . . . 23 LEU HG . 16589 1 142 . 1 1 24 24 PRO HA H 1 3.960 . . 1 . . . . 24 PRO HA . 16589 1 143 . 1 1 24 24 PRO HB2 H 1 2.305 . . 2 . . . . 24 PRO HB2 . 16589 1 144 . 1 1 24 24 PRO HD2 H 1 3.589 . . 2 . . . . 24 PRO HD1 . 16589 1 145 . 1 1 24 24 PRO HD3 H 1 3.698 . . 2 . . . . 24 PRO HD2 . 16589 1 146 . 1 1 24 24 PRO HG2 H 1 2.141 . . 2 . . . . 24 PRO HG2 . 16589 1 147 . 1 1 25 25 VAL H H 1 7.109 . . 1 . . . . 25 VAL HN . 16589 1 148 . 1 1 25 25 VAL HA H 1 3.826 . . 1 . . . . 25 VAL HA . 16589 1 149 . 1 1 25 25 VAL HB H 1 2.354 . . 1 . . . . 25 VAL HB . 16589 1 150 . 1 1 25 25 VAL HG11 H 1 1.015 . . 2 . . . . 25 VAL HG11 . 16589 1 151 . 1 1 25 25 VAL HG12 H 1 1.015 . . 2 . . . . 25 VAL HG11 . 16589 1 152 . 1 1 25 25 VAL HG13 H 1 1.015 . . 2 . . . . 25 VAL HG11 . 16589 1 153 . 1 1 25 25 VAL HG21 H 1 1.130 . . 2 . . . . 25 VAL HG21 . 16589 1 154 . 1 1 25 25 VAL HG22 H 1 1.130 . . 2 . . . . 25 VAL HG21 . 16589 1 155 . 1 1 25 25 VAL HG23 H 1 1.130 . . 2 . . . . 25 VAL HG21 . 16589 1 156 . 1 1 26 26 LEU H H 1 8.059 . . 1 . . . . 26 LEU HN . 16589 1 157 . 1 1 26 26 LEU HA H 1 4.208 . . 1 . . . . 26 LEU HA . 16589 1 158 . 1 1 26 26 LEU HB2 H 1 1.700 . . 2 . . . . 26 LEU HB2 . 16589 1 159 . 1 1 26 26 LEU HD11 H 1 0.962 . . 2 . . . . 26 LEU HD11 . 16589 1 160 . 1 1 26 26 LEU HD12 H 1 0.962 . . 2 . . . . 26 LEU HD11 . 16589 1 161 . 1 1 26 26 LEU HD13 H 1 0.962 . . 2 . . . . 26 LEU HD11 . 16589 1 162 . 1 1 26 26 LEU HD21 H 1 0.930 . . 2 . . . . 26 LEU HD21 . 16589 1 163 . 1 1 26 26 LEU HD22 H 1 0.930 . . 2 . . . . 26 LEU HD21 . 16589 1 164 . 1 1 26 26 LEU HD23 H 1 0.930 . . 2 . . . . 26 LEU HD21 . 16589 1 165 . 1 1 26 26 LEU HG H 1 1.609 . . 1 . . . . 26 LEU HG . 16589 1 166 . 1 1 27 27 CYS H H 1 7.830 . . 1 . . . . 27 CYS HN . 16589 1 167 . 1 1 27 27 CYS HA H 1 4.390 . . 1 . . . . 27 CYS HA . 16589 1 168 . 1 1 27 27 CYS HB2 H 1 3.235 . . 2 . . . . 27 CYS HB1 . 16589 1 169 . 1 1 27 27 CYS HB3 H 1 3.350 . . 2 . . . . 27 CYS HB2 . 16589 1 170 . 1 1 28 28 GLN H H 1 8.066 . . 1 . . . . 28 GLN HN . 16589 1 171 . 1 1 28 28 GLN HA H 1 4.297 . . 1 . . . . 28 GLN HA . 16589 1 172 . 1 1 28 28 GLN HB2 H 1 2.140 . . 2 . . . . 28 GLN HB2 . 16589 1 173 . 1 1 28 28 GLN HE21 H 1 6.828 . . 2 . . . . 28 GLN HE21 . 16589 1 174 . 1 1 28 28 GLN HE22 H 1 7.523 . . 2 . . . . 28 GLN HE22 . 16589 1 175 . 1 1 28 28 GLN HG2 H 1 2.405 . . 2 . . . . 28 GLN HG2 . 16589 1 176 . 1 1 29 29 ALA H H 1 8.042 . . 1 . . . . 29 ALA HN . 16589 1 177 . 1 1 29 29 ALA HA H 1 4.193 . . 1 . . . . 29 ALA HA . 16589 1 178 . 1 1 29 29 ALA HB1 H 1 1.435 . . 1 . . . . 29 ALA HB1 . 16589 1 179 . 1 1 29 29 ALA HB2 H 1 1.435 . . 1 . . . . 29 ALA HB1 . 16589 1 180 . 1 1 29 29 ALA HB3 H 1 1.435 . . 1 . . . . 29 ALA HB1 . 16589 1 181 . 1 1 30 30 HIS H H 1 7.784 . . 1 . . . . 30 HIS HN . 16589 1 182 . 1 1 30 30 HIS HA H 1 4.660 . . 1 . . . . 30 HIS HA . 16589 1 183 . 1 1 30 30 HIS HB2 H 1 3.056 . . 2 . . . . 30 HIS HB1 . 16589 1 184 . 1 1 30 30 HIS HB3 H 1 3.503 . . 2 . . . . 30 HIS HB2 . 16589 1 185 . 1 1 30 30 HIS HD2 H 1 7.549 . . 1 . . . . 30 HIS HD2 . 16589 1 186 . 1 1 30 30 HIS HE2 H 1 8.762 . . 1 . . . . 30 HIS HE2 . 16589 1 187 . 1 1 31 31 GLY H H 1 7.919 . . 1 . . . . 31 GLY HN . 16589 1 188 . 1 1 31 31 GLY HA2 H 1 4.121 . . 2 . . . . 31 GLY HA1 . 16589 1 189 . 1 1 32 32 LEU H H 1 7.861 . . 1 . . . . 32 LEU HN . 16589 1 190 . 1 1 32 32 LEU HA H 1 4.589 . . 1 . . . . 32 LEU HA . 16589 1 191 . 1 1 33 33 THR H H 1 7.871 . . 1 . . . . 33 THR HN . 16589 1 192 . 1 1 33 33 THR HA H 1 4.381 . . 1 . . . . 33 THR HA . 16589 1 193 . 1 1 33 33 THR HB H 1 4.334 . . 1 . . . . 33 THR HB . 16589 1 194 . 1 1 33 33 THR HG21 H 1 1.248 . . 1 . . . . 33 THR HG21 . 16589 1 195 . 1 1 33 33 THR HG22 H 1 1.248 . . 1 . . . . 33 THR HG21 . 16589 1 196 . 1 1 33 33 THR HG23 H 1 1.248 . . 1 . . . . 33 THR HG21 . 16589 1 197 . 1 1 34 34 PRO HA H 1 3.760 . . 1 . . . . 34 PRO HA . 16589 1 198 . 1 1 34 34 PRO HB2 H 1 2.350 . . 2 . . . . 34 PRO HB2 . 16589 1 199 . 1 1 34 34 PRO HD2 H 1 3.535 . . 2 . . . . 34 PRO HD1 . 16589 1 200 . 1 1 34 34 PRO HD3 H 1 3.631 . . 2 . . . . 34 PRO HD2 . 16589 1 201 . 1 1 34 34 PRO HG2 H 1 2.179 . . 2 . . . . 34 PRO HG2 . 16589 1 202 . 1 1 35 35 GLU H H 1 8.233 . . 1 . . . . 35 GLU HN . 16589 1 203 . 1 1 35 35 GLU HA H 1 4.211 . . 1 . . . . 35 GLU HA . 16589 1 204 . 1 1 35 35 GLU HB2 H 1 2.067 . . 2 . . . . 35 GLU HB1 . 16589 1 205 . 1 1 35 35 GLU HB3 H 1 2.126 . . 2 . . . . 35 GLU HB2 . 16589 1 206 . 1 1 35 35 GLU HG2 H 1 2.391 . . 2 . . . . 35 GLU HG2 . 16589 1 207 . 1 1 36 36 GLN H H 1 8.761 . . 1 . . . . 36 GLN HN . 16589 1 208 . 1 1 36 36 GLN HA H 1 4.540 . . 1 . . . . 36 GLN HA . 16589 1 209 . 1 1 36 36 GLN HB2 H 1 2.016 . . 2 . . . . 36 GLN HB1 . 16589 1 210 . 1 1 36 36 GLN HB3 H 1 2.185 . . 2 . . . . 36 GLN HB2 . 16589 1 211 . 1 1 36 36 GLN HG2 H 1 2.373 . . 2 . . . . 36 GLN HG2 . 16589 1 212 . 1 1 37 37 VAL H H 1 8.275 . . 1 . . . . 37 VAL HN . 16589 1 213 . 1 1 37 37 VAL HA H 1 3.800 . . 1 . . . . 37 VAL HA . 16589 1 214 . 1 1 37 37 VAL HB H 1 2.210 . . 1 . . . . 37 VAL HB . 16589 1 215 . 1 1 37 37 VAL HG11 H 1 1.081 . . 2 . . . . 37 VAL HG11 . 16589 1 216 . 1 1 37 37 VAL HG12 H 1 1.081 . . 2 . . . . 37 VAL HG11 . 16589 1 217 . 1 1 37 37 VAL HG13 H 1 1.081 . . 2 . . . . 37 VAL HG11 . 16589 1 218 . 1 1 37 37 VAL HG21 H 1 0.986 . . 2 . . . . 37 VAL HG21 . 16589 1 219 . 1 1 37 37 VAL HG22 H 1 0.986 . . 2 . . . . 37 VAL HG21 . 16589 1 220 . 1 1 37 37 VAL HG23 H 1 0.986 . . 2 . . . . 37 VAL HG21 . 16589 1 221 . 1 1 38 38 VAL H H 1 7.888 . . 1 . . . . 38 VAL HN . 16589 1 222 . 1 1 38 38 VAL HA H 1 3.928 . . 1 . . . . 38 VAL HA . 16589 1 223 . 1 1 38 38 VAL HG11 H 1 0.891 . . 2 . . . . 38 VAL HG11 . 16589 1 224 . 1 1 38 38 VAL HG12 H 1 0.891 . . 2 . . . . 38 VAL HG11 . 16589 1 225 . 1 1 38 38 VAL HG13 H 1 0.891 . . 2 . . . . 38 VAL HG11 . 16589 1 226 . 1 1 38 38 VAL HG21 H 1 0.948 . . 2 . . . . 38 VAL HG21 . 16589 1 227 . 1 1 38 38 VAL HG22 H 1 0.948 . . 2 . . . . 38 VAL HG21 . 16589 1 228 . 1 1 38 38 VAL HG23 H 1 0.948 . . 2 . . . . 38 VAL HG21 . 16589 1 229 . 1 1 39 39 ALA H H 1 8.019 . . 1 . . . . 39 ALA HN . 16589 1 230 . 1 1 39 39 ALA HA H 1 4.234 . . 1 . . . . 39 ALA HA . 16589 1 231 . 1 1 39 39 ALA HB1 H 1 1.423 . . 1 . . . . 39 ALA HB1 . 16589 1 232 . 1 1 39 39 ALA HB2 H 1 1.423 . . 1 . . . . 39 ALA HB1 . 16589 1 233 . 1 1 39 39 ALA HB3 H 1 1.423 . . 1 . . . . 39 ALA HB1 . 16589 1 234 . 1 1 40 40 ILE H H 1 7.861 . . 1 . . . . 40 ILE HN . 16589 1 235 . 1 1 40 40 ILE HA H 1 4.133 . . 1 . . . . 40 ILE HA . 16589 1 236 . 1 1 40 40 ILE HB H 1 1.733 . . 1 . . . . 40 ILE HB . 16589 1 237 . 1 1 40 40 ILE HD11 H 1 0.892 . . 1 . . . . 40 ILE HD11 . 16589 1 238 . 1 1 40 40 ILE HD12 H 1 0.892 . . 1 . . . . 40 ILE HD11 . 16589 1 239 . 1 1 40 40 ILE HD13 H 1 0.892 . . 1 . . . . 40 ILE HD11 . 16589 1 240 . 1 1 40 40 ILE HG12 H 1 1.132 . . 1 . . . . 40 ILE HG11 . 16589 1 241 . 1 1 40 40 ILE HG13 H 1 1.632 . . 1 . . . . 40 ILE HG12 . 16589 1 242 . 1 1 40 40 ILE HG21 H 1 0.945 . . 1 . . . . 40 ILE HG21 . 16589 1 243 . 1 1 40 40 ILE HG22 H 1 0.945 . . 1 . . . . 40 ILE HG21 . 16589 1 244 . 1 1 40 40 ILE HG23 H 1 0.945 . . 1 . . . . 40 ILE HG21 . 16589 1 245 . 1 1 41 41 ALA H H 1 8.221 . . 1 . . . . 41 ALA HN . 16589 1 246 . 1 1 41 41 ALA HA H 1 4.118 . . 1 . . . . 41 ALA HA . 16589 1 247 . 1 1 41 41 ALA HB1 H 1 1.469 . . 1 . . . . 41 ALA HB1 . 16589 1 248 . 1 1 41 41 ALA HB2 H 1 1.469 . . 1 . . . . 41 ALA HB1 . 16589 1 249 . 1 1 41 41 ALA HB3 H 1 1.469 . . 1 . . . . 41 ALA HB1 . 16589 1 250 . 1 1 42 42 SER H H 1 8.542 . . 1 . . . . 42 SER HN . 16589 1 251 . 1 1 42 42 SER HA H 1 4.351 . . 1 . . . . 42 SER HA . 16589 1 252 . 1 1 42 42 SER HB2 H 1 3.866 . . 2 . . . . 42 SER HB1 . 16589 1 253 . 1 1 42 42 SER HB3 H 1 3.894 . . 2 . . . . 42 SER HB2 . 16589 1 254 . 1 1 43 43 HIS H H 1 8.021 . . 1 . . . . 43 HIS HN . 16589 1 255 . 1 1 43 43 HIS HA H 1 4.658 . . 1 . . . . 43 HIS HA . 16589 1 256 . 1 1 43 43 HIS HB2 H 1 3.314 . . 2 . . . . 43 HIS HB1 . 16589 1 257 . 1 1 43 43 HIS HB3 H 1 3.444 . . 2 . . . . 43 HIS HB2 . 16589 1 258 . 1 1 43 43 HIS HD2 H 1 7.439 . . 1 . . . . 43 HIS HD2 . 16589 1 259 . 1 1 43 43 HIS HE2 H 1 8.649 . . 1 . . . . 43 HIS HE2 . 16589 1 260 . 1 1 44 44 ASP H H 1 8.305 . . 1 . . . . 44 ASP HN . 16589 1 261 . 1 1 44 44 ASP HA H 1 4.759 . . 1 . . . . 44 ASP HA . 16589 1 262 . 1 1 44 44 ASP HB2 H 1 2.932 . . 2 . . . . 44 ASP HB1 . 16589 1 263 . 1 1 44 44 ASP HB3 H 1 3.007 . . 2 . . . . 44 ASP HB2 . 16589 1 264 . 1 1 45 45 GLY H H 1 8.266 . . 1 . . . . 45 GLY HN . 16589 1 265 . 1 1 45 45 GLY HA2 H 1 3.857 . . 2 . . . . 45 GLY HA1 . 16589 1 266 . 1 1 46 46 GLY H H 1 8.244 . . 1 . . . . 46 GLY HN . 16589 1 267 . 1 1 46 46 GLY HA2 H 1 3.975 . . 2 . . . . 46 GLY HA1 . 16589 1 268 . 1 1 47 47 LYS H H 1 8.166 . . 1 . . . . 47 LYS HN . 16589 1 269 . 1 1 47 47 LYS HA H 1 4.150 . . 1 . . . . 47 LYS HA . 16589 1 270 . 1 1 47 47 LYS HB2 H 1 1.861 . . 2 . . . . 47 LYS HB2 . 16589 1 271 . 1 1 47 47 LYS HD2 H 1 1.791 . . 2 . . . . 47 LYS HD2 . 16589 1 272 . 1 1 47 47 LYS HE2 H 1 3.000 . . 2 . . . . 47 LYS HE2 . 16589 1 273 . 1 1 47 47 LYS HG2 H 1 1.461 . . 2 . . . . 47 LYS HG2 . 16589 1 274 . 1 1 47 47 LYS HZ1 H 1 7.500 . . 1 . . . . 47 LYS HZ1 . 16589 1 275 . 1 1 47 47 LYS HZ2 H 1 7.500 . . 1 . . . . 47 LYS HZ1 . 16589 1 276 . 1 1 47 47 LYS HZ3 H 1 7.500 . . 1 . . . . 47 LYS HZ1 . 16589 1 277 . 1 1 48 48 GLN H H 1 8.311 . . 1 . . . . 48 GLN HN . 16589 1 278 . 1 1 48 48 GLN HA H 1 4.146 . . 1 . . . . 48 GLN HA . 16589 1 279 . 1 1 49 49 ALA H H 1 7.930 . . 1 . . . . 49 ALA HN . 16589 1 280 . 1 1 49 49 ALA HA H 1 4.265 . . 1 . . . . 49 ALA HA . 16589 1 281 . 1 1 49 49 ALA HB1 H 1 1.440 . . 1 . . . . 49 ALA HB1 . 16589 1 282 . 1 1 49 49 ALA HB2 H 1 1.440 . . 1 . . . . 49 ALA HB1 . 16589 1 283 . 1 1 49 49 ALA HB3 H 1 1.440 . . 1 . . . . 49 ALA HB1 . 16589 1 284 . 1 1 50 50 LEU H H 1 7.810 . . 1 . . . . 50 LEU HN . 16589 1 285 . 1 1 50 50 LEU HA H 1 4.324 . . 1 . . . . 50 LEU HA . 16589 1 286 . 1 1 50 50 LEU HB2 H 1 1.734 . . 2 . . . . 50 LEU HB2 . 16589 1 287 . 1 1 50 50 LEU HD11 H 1 0.942 . . 2 . . . . 50 LEU HD11 . 16589 1 288 . 1 1 50 50 LEU HD12 H 1 0.942 . . 2 . . . . 50 LEU HD11 . 16589 1 289 . 1 1 50 50 LEU HD13 H 1 0.942 . . 2 . . . . 50 LEU HD11 . 16589 1 290 . 1 1 50 50 LEU HD21 H 1 0.887 . . 2 . . . . 50 LEU HD21 . 16589 1 291 . 1 1 50 50 LEU HD22 H 1 0.887 . . 2 . . . . 50 LEU HD21 . 16589 1 292 . 1 1 50 50 LEU HD23 H 1 0.887 . . 2 . . . . 50 LEU HD21 . 16589 1 293 . 1 1 50 50 LEU HG H 1 1.631 . . 1 . . . . 50 LEU HG . 16589 1 294 . 1 1 51 51 GLU H H 1 7.871 . . 1 . . . . 51 GLU HN . 16589 1 295 . 1 1 51 51 GLU HA H 1 4.350 . . 1 . . . . 51 GLU HA . 16589 1 stop_ save_