################################### # 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 30989 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _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 1H-1H TOCSY' . . . 30989 1 2 '2D 1H-1H NOESY' . . . 30989 1 3 '2D 1H-1H COSY' . . . 30989 1 4 '2D DQF-COSY' . . . 30989 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_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 GLY HA2 H 1 3.852 0.000 . 1 . . . . A 1 GLY HA2 . 30989 1 2 . 1 . 1 1 1 GLY HA3 H 1 3.852 0.000 . 1 . . . . A 1 GLY HA3 . 30989 1 3 . 1 . 1 2 2 LEU H H 1 8.502 0.001 . 1 . . . . A 2 LEU H . 30989 1 4 . 1 . 1 2 2 LEU HA H 1 4.252 0.001 . 1 . . . . A 2 LEU HA . 30989 1 5 . 1 . 1 2 2 LEU HB2 H 1 1.531 0.000 . 2 . . . . A 2 LEU HB2 . 30989 1 6 . 1 . 1 2 2 LEU HB3 H 1 1.580 0.000 . 2 . . . . A 2 LEU HB3 . 30989 1 7 . 1 . 1 2 2 LEU HG H 1 1.589 0.001 . 1 . . . . A 2 LEU HG . 30989 1 8 . 1 . 1 2 2 LEU HD11 H 1 0.875 0.000 . 2 . . . . A 2 LEU HD11 . 30989 1 9 . 1 . 1 2 2 LEU HD12 H 1 0.875 0.000 . 2 . . . . A 2 LEU HD12 . 30989 1 10 . 1 . 1 2 2 LEU HD13 H 1 0.875 0.000 . 2 . . . . A 2 LEU HD13 . 30989 1 11 . 1 . 1 2 2 LEU HD21 H 1 0.909 0.000 . 2 . . . . A 2 LEU HD21 . 30989 1 12 . 1 . 1 2 2 LEU HD22 H 1 0.909 0.000 . 2 . . . . A 2 LEU HD22 . 30989 1 13 . 1 . 1 2 2 LEU HD23 H 1 0.909 0.000 . 2 . . . . A 2 LEU HD23 . 30989 1 14 . 1 . 1 3 3 XCP HA H 1 2.658 0.001 . 1 . . . . A 3 XCP HA . 30989 1 15 . 1 . 1 3 3 XCP HB H 1 4.253 0.001 . 1 . . . . A 3 XCP HB . 30989 1 16 . 1 . 1 3 3 XCP HD H 1 1.672 0.000 . 1 . . . . A 3 XCP HD . 30989 1 17 . 1 . 1 3 3 XCP HE H 1 1.743 0.000 . 2 . . . . A 3 XCP HE . 30989 1 18 . 1 . 1 3 3 XCP HEA H 1 2.067 0.003 . 2 . . . . A 3 XCP HEA . 30989 1 19 . 1 . 1 3 3 XCP HG H 1 1.765 0.000 . 2 . . . . A 3 XCP HG . 30989 1 20 . 1 . 1 3 3 XCP HGA H 1 2.056 0.001 . 2 . . . . A 3 XCP HGA . 30989 1 21 . 1 . 1 3 3 XCP HN H 1 8.243 0.001 . 1 . . . . A 3 XCP HN . 30989 1 22 . 1 . 1 4 4 ARG H H 1 8.313 0.001 . 1 . . . . A 4 ARG H . 30989 1 23 . 1 . 1 4 4 ARG HA H 1 4.199 0.000 . 1 . . . . A 4 ARG HA . 30989 1 24 . 1 . 1 4 4 ARG HB2 H 1 1.773 0.005 . 2 . . . . A 4 ARG HB2 . 30989 1 25 . 1 . 1 4 4 ARG HB3 H 1 1.833 0.000 . 2 . . . . A 4 ARG HB3 . 30989 1 26 . 1 . 1 4 4 ARG HG2 H 1 1.642 0.000 . 1 . . . . A 4 ARG HG2 . 30989 1 27 . 1 . 1 4 4 ARG HG3 H 1 1.642 0.000 . 1 . . . . A 4 ARG HG3 . 30989 1 28 . 1 . 1 4 4 ARG HD2 H 1 3.210 0.001 . 1 . . . . A 4 ARG HD2 . 30989 1 29 . 1 . 1 4 4 ARG HD3 H 1 3.210 0.001 . 1 . . . . A 4 ARG HD3 . 30989 1 30 . 1 . 1 4 4 ARG HE H 1 7.235 0.001 . 1 . . . . A 4 ARG HE . 30989 1 31 . 1 . 1 5 5 LYS H H 1 8.234 0.001 . 1 . . . . A 5 LYS H . 30989 1 32 . 1 . 1 5 5 LYS HA H 1 4.177 0.000 . 1 . . . . A 5 LYS HA . 30989 1 33 . 1 . 1 5 5 LYS HB2 H 1 1.792 0.000 . 2 . . . . A 5 LYS HB2 . 30989 1 34 . 1 . 1 5 5 LYS HB3 H 1 1.835 0.000 . 2 . . . . A 5 LYS HB3 . 30989 1 35 . 1 . 1 5 5 LYS HG2 H 1 1.369 0.000 . 2 . . . . A 5 LYS HG2 . 30989 1 36 . 1 . 1 5 5 LYS HG3 H 1 1.487 0.001 . 2 . . . . A 5 LYS HG3 . 30989 1 37 . 1 . 1 5 5 LYS HD2 H 1 1.691 0.000 . 1 . . . . A 5 LYS HD2 . 30989 1 38 . 1 . 1 5 5 LYS HD3 H 1 1.691 0.000 . 1 . . . . A 5 LYS HD3 . 30989 1 39 . 1 . 1 5 5 LYS HE2 H 1 3.003 0.001 . 1 . . . . A 5 LYS HE2 . 30989 1 40 . 1 . 1 5 5 LYS HE3 H 1 3.003 0.001 . 1 . . . . A 5 LYS HE3 . 30989 1 41 . 1 . 1 6 6 XCP HA H 1 2.702 0.003 . 1 . . . . A 6 XCP HA . 30989 1 42 . 1 . 1 6 6 XCP HB H 1 4.246 0.001 . 1 . . . . A 6 XCP HB . 30989 1 43 . 1 . 1 6 6 XCP HD H 1 1.547 0.001 . 1 . . . . A 6 XCP HD . 30989 1 44 . 1 . 1 6 6 XCP HE H 1 1.772 0.000 . 2 . . . . A 6 XCP HE . 30989 1 45 . 1 . 1 6 6 XCP HEA H 1 2.027 0.000 . 2 . . . . A 6 XCP HEA . 30989 1 46 . 1 . 1 6 6 XCP HG H 1 1.738 0.000 . 2 . . . . A 6 XCP HG . 30989 1 47 . 1 . 1 6 6 XCP HGA H 1 2.021 0.000 . 2 . . . . A 6 XCP HGA . 30989 1 48 . 1 . 1 6 6 XCP HN H 1 7.947 0.001 . 1 . . . . A 6 XCP HN . 30989 1 49 . 1 . 1 7 7 LEU H H 1 8.240 0.000 . 1 . . . . A 7 LEU H . 30989 1 50 . 1 . 1 7 7 LEU HA H 1 4.220 0.001 . 1 . . . . A 7 LEU HA . 30989 1 51 . 1 . 1 7 7 LEU HB2 H 1 1.593 0.003 . 2 . . . . A 7 LEU HB2 . 30989 1 52 . 1 . 1 7 7 LEU HB3 H 1 1.699 0.001 . 2 . . . . A 7 LEU HB3 . 30989 1 53 . 1 . 1 7 7 LEU HG H 1 1.675 0.002 . 1 . . . . A 7 LEU HG . 30989 1 54 . 1 . 1 7 7 LEU HD11 H 1 0.884 0.000 . 2 . . . . A 7 LEU HD11 . 30989 1 55 . 1 . 1 7 7 LEU HD12 H 1 0.884 0.000 . 2 . . . . A 7 LEU HD12 . 30989 1 56 . 1 . 1 7 7 LEU HD13 H 1 0.884 0.000 . 2 . . . . A 7 LEU HD13 . 30989 1 57 . 1 . 1 7 7 LEU HD21 H 1 0.934 0.001 . 2 . . . . A 7 LEU HD21 . 30989 1 58 . 1 . 1 7 7 LEU HD22 H 1 0.934 0.001 . 2 . . . . A 7 LEU HD22 . 30989 1 59 . 1 . 1 7 7 LEU HD23 H 1 0.934 0.001 . 2 . . . . A 7 LEU HD23 . 30989 1 60 . 1 . 1 8 8 CYS H H 1 8.367 0.001 . 1 . . . . A 8 CYS H . 30989 1 61 . 1 . 1 8 8 CYS HA H 1 4.649 0.001 . 1 . . . . A 8 CYS HA . 30989 1 62 . 1 . 1 8 8 CYS HB2 H 1 3.027 0.000 . 2 . . . . A 8 CYS HB2 . 30989 1 63 . 1 . 1 8 8 CYS HB3 H 1 3.262 0.000 . 2 . . . . A 8 CYS HB3 . 30989 1 64 . 1 . 1 9 9 ALA H H 1 8.012 0.001 . 1 . . . . A 9 ALA H . 30989 1 65 . 1 . 1 9 9 ALA HA H 1 4.178 0.000 . 1 . . . . A 9 ALA HA . 30989 1 66 . 1 . 1 9 9 ALA HB1 H 1 1.393 0.001 . 1 . . . . A 9 ALA HB1 . 30989 1 67 . 1 . 1 9 9 ALA HB2 H 1 1.393 0.001 . 1 . . . . A 9 ALA HB2 . 30989 1 68 . 1 . 1 9 9 ALA HB3 H 1 1.393 0.001 . 1 . . . . A 9 ALA HB3 . 30989 1 69 . 1 . 1 10 10 XCP HA H 1 2.659 0.002 . 1 . . . . A 10 XCP HA . 30989 1 70 . 1 . 1 10 10 XCP HB H 1 4.200 0.000 . 1 . . . . A 10 XCP HB . 30989 1 71 . 1 . 1 10 10 XCP HD H 1 1.651 0.006 . 1 . . . . A 10 XCP HD . 30989 1 72 . 1 . 1 10 10 XCP HE H 1 1.776 0.000 . 2 . . . . A 10 XCP HE . 30989 1 73 . 1 . 1 10 10 XCP HEA H 1 2.023 0.000 . 2 . . . . A 10 XCP HEA . 30989 1 74 . 1 . 1 10 10 XCP HG H 1 1.774 0.000 . 2 . . . . A 10 XCP HG . 30989 1 75 . 1 . 1 10 10 XCP HGA H 1 2.033 0.000 . 2 . . . . A 10 XCP HGA . 30989 1 76 . 1 . 1 10 10 XCP HN H 1 7.922 0.000 . 1 . . . . A 10 XCP HN . 30989 1 77 . 1 . 1 11 11 ALA H H 1 8.239 0.001 . 1 . . . . A 11 ALA H . 30989 1 78 . 1 . 1 11 11 ALA HA H 1 4.159 0.001 . 1 . . . . A 11 ALA HA . 30989 1 79 . 1 . 1 11 11 ALA HB1 H 1 1.410 0.002 . 1 . . . . A 11 ALA HB1 . 30989 1 80 . 1 . 1 11 11 ALA HB2 H 1 1.410 0.002 . 1 . . . . A 11 ALA HB2 . 30989 1 81 . 1 . 1 11 11 ALA HB3 H 1 1.410 0.002 . 1 . . . . A 11 ALA HB3 . 30989 1 82 . 1 . 1 12 12 LYS H H 1 8.105 0.001 . 1 . . . . A 12 LYS H . 30989 1 83 . 1 . 1 12 12 LYS HA H 1 4.195 0.000 . 1 . . . . A 12 LYS HA . 30989 1 84 . 1 . 1 12 12 LYS HB2 H 1 1.843 0.000 . 2 . . . . A 12 LYS HB2 . 30989 1 85 . 1 . 1 12 12 LYS HB3 H 1 1.874 0.000 . 2 . . . . A 12 LYS HB3 . 30989 1 86 . 1 . 1 12 12 LYS HG2 H 1 1.411 0.000 . 2 . . . . A 12 LYS HG2 . 30989 1 87 . 1 . 1 12 12 LYS HG3 H 1 1.522 0.000 . 2 . . . . A 12 LYS HG3 . 30989 1 88 . 1 . 1 12 12 LYS HD2 H 1 1.677 0.000 . 1 . . . . A 12 LYS HD2 . 30989 1 89 . 1 . 1 12 12 LYS HD3 H 1 1.677 0.000 . 1 . . . . A 12 LYS HD3 . 30989 1 90 . 1 . 1 13 13 B3K H H 1 7.665 0.001 . 1 . . . . A 13 B3K H . 30989 1 91 . 1 . 1 13 13 B3K HA1 H 1 2.455 0.004 . 2 . . . . A 13 B3K HA1 . 30989 1 92 . 1 . 1 13 13 B3K HA2 H 1 2.572 0.000 . 2 . . . . A 13 B3K HA2 . 30989 1 93 . 1 . 1 13 13 B3K HB H 1 4.222 0.001 . 1 . . . . A 13 B3K HB . 30989 1 94 . 1 . 1 13 13 B3K HD2 H 1 1.326 0.001 . 2 . . . . A 13 B3K HD2 . 30989 1 95 . 1 . 1 13 13 B3K HD3 H 1 1.406 0.000 . 2 . . . . A 13 B3K HD3 . 30989 1 96 . 1 . 1 13 13 B3K HE2 H 1 1.654 0.000 . 1 . . . . A 13 B3K HE2 . 30989 1 97 . 1 . 1 13 13 B3K HF1 H 1 2.974 0.001 . 1 . . . . A 13 B3K HF1 . 30989 1 98 . 1 . 1 13 13 B3K HG2 H 1 1.522 0.002 . 2 . . . . A 13 B3K HG2 . 30989 1 99 . 1 . 1 13 13 B3K HG3 H 1 1.594 0.002 . 2 . . . . A 13 B3K HG3 . 30989 1 100 . 1 . 1 14 14 LYS H H 1 8.426 0.000 . 1 . . . . A 14 LYS H . 30989 1 101 . 1 . 1 14 14 LYS HA H 1 4.173 0.000 . 1 . . . . A 14 LYS HA . 30989 1 102 . 1 . 1 14 14 LYS HB2 H 1 1.764 0.000 . 2 . . . . A 14 LYS HB2 . 30989 1 103 . 1 . 1 14 14 LYS HB3 H 1 1.815 0.000 . 2 . . . . A 14 LYS HB3 . 30989 1 104 . 1 . 1 14 14 LYS HG2 H 1 1.396 0.000 . 2 . . . . A 14 LYS HG2 . 30989 1 105 . 1 . 1 14 14 LYS HG3 H 1 1.472 0.000 . 2 . . . . A 14 LYS HG3 . 30989 1 106 . 1 . 1 14 14 LYS HD2 H 1 1.670 0.000 . 1 . . . . A 14 LYS HD2 . 30989 1 107 . 1 . 1 14 14 LYS HD3 H 1 1.670 0.000 . 1 . . . . A 14 LYS HD3 . 30989 1 108 . 1 . 1 14 14 LYS HE2 H 1 2.982 0.000 . 1 . . . . A 14 LYS HE2 . 30989 1 109 . 1 . 1 14 14 LYS HE3 H 1 2.982 0.000 . 1 . . . . A 14 LYS HE3 . 30989 1 110 . 1 . 1 15 15 GLY H H 1 8.547 0.001 . 1 . . . . A 15 GLY H . 30989 1 111 . 1 . 1 15 15 GLY HA2 H 1 3.806 0.000 . 2 . . . . A 15 GLY HA2 . 30989 1 112 . 1 . 1 15 15 GLY HA3 H 1 3.968 0.000 . 2 . . . . A 15 GLY HA3 . 30989 1 113 . 1 . 1 16 16 B3K H H 1 7.619 0.001 . 1 . . . . A 16 B3K H . 30989 1 114 . 1 . 1 16 16 B3K HA1 H 1 2.539 0.002 . 1 . . . . A 16 B3K HA1 . 30989 1 115 . 1 . 1 16 16 B3K HB H 1 4.199 0.002 . 1 . . . . A 16 B3K HB . 30989 1 116 . 1 . 1 16 16 B3K HD2 H 1 1.282 0.000 . 2 . . . . A 16 B3K HD2 . 30989 1 117 . 1 . 1 16 16 B3K HD3 H 1 1.360 0.002 . 2 . . . . A 16 B3K HD3 . 30989 1 118 . 1 . 1 16 16 B3K HE2 H 1 1.664 0.000 . 1 . . . . A 16 B3K HE2 . 30989 1 119 . 1 . 1 16 16 B3K HF1 H 1 2.960 0.000 . 1 . . . . A 16 B3K HF1 . 30989 1 120 . 1 . 1 16 16 B3K HG2 H 1 1.503 0.003 . 2 . . . . A 16 B3K HG2 . 30989 1 121 . 1 . 1 16 16 B3K HG3 H 1 1.594 0.000 . 2 . . . . A 16 B3K HG3 . 30989 1 122 . 1 . 1 17 17 CYS H H 1 8.410 0.000 . 1 . . . . A 17 CYS H . 30989 1 123 . 1 . 1 17 17 CYS HA H 1 4.539 0.000 . 1 . . . . A 17 CYS HA . 30989 1 124 . 1 . 1 17 17 CYS HB2 H 1 2.985 0.002 . 2 . . . . A 17 CYS HB2 . 30989 1 125 . 1 . 1 17 17 CYS HB3 H 1 3.145 0.001 . 2 . . . . A 17 CYS HB3 . 30989 1 126 . 1 . 1 18 18 B3K H H 1 8.200 0.001 . 1 . . . . A 18 B3K H . 30989 1 127 . 1 . 1 18 18 B3K HA1 H 1 2.487 0.005 . 2 . . . . A 18 B3K HA1 . 30989 1 128 . 1 . 1 18 18 B3K HA2 H 1 2.567 0.000 . 2 . . . . A 18 B3K HA2 . 30989 1 129 . 1 . 1 18 18 B3K HB H 1 4.198 0.000 . 1 . . . . A 18 B3K HB . 30989 1 130 . 1 . 1 18 18 B3K HD2 H 1 1.360 0.000 . 2 . . . . A 18 B3K HD2 . 30989 1 131 . 1 . 1 18 18 B3K HD3 H 1 1.399 0.001 . 2 . . . . A 18 B3K HD3 . 30989 1 132 . 1 . 1 18 18 B3K HE2 H 1 1.656 0.000 . 1 . . . . A 18 B3K HE2 . 30989 1 133 . 1 . 1 18 18 B3K HF1 H 1 2.983 0.000 . 1 . . . . A 18 B3K HF1 . 30989 1 134 . 1 . 1 18 18 B3K HG2 H 1 1.553 0.000 . 2 . . . . A 18 B3K HG2 . 30989 1 135 . 1 . 1 18 18 B3K HG3 H 1 1.605 0.000 . 2 . . . . A 18 B3K HG3 . 30989 1 136 . 1 . 1 19 19 GLY H H 1 8.220 0.000 . 1 . . . . A 19 GLY H . 30989 1 137 . 1 . 1 19 19 GLY HA2 H 1 3.921 0.000 . 1 . . . . A 19 GLY HA2 . 30989 1 138 . 1 . 1 19 19 GLY HA3 H 1 3.921 0.000 . 1 . . . . A 19 GLY HA3 . 30989 1 139 . 1 . 1 20 20 ALA H H 1 7.995 0.001 . 1 . . . . A 20 ALA H . 30989 1 140 . 1 . 1 20 20 ALA HA H 1 4.304 0.000 . 1 . . . . A 20 ALA HA . 30989 1 141 . 1 . 1 20 20 ALA HB1 H 1 1.357 0.000 . 1 . . . . A 20 ALA HB1 . 30989 1 142 . 1 . 1 20 20 ALA HB2 H 1 1.357 0.000 . 1 . . . . A 20 ALA HB2 . 30989 1 143 . 1 . 1 20 20 ALA HB3 H 1 1.357 0.000 . 1 . . . . A 20 ALA HB3 . 30989 1 144 . 1 . 1 21 21 XCP HA H 1 2.648 0.003 . 1 . . . . A 21 XCP HA . 30989 1 145 . 1 . 1 21 21 XCP HB H 1 4.200 0.001 . 1 . . . . A 21 XCP HB . 30989 1 146 . 1 . 1 21 21 XCP HD H 1 1.593 0.003 . 1 . . . . A 21 XCP HD . 30989 1 147 . 1 . 1 21 21 XCP HEA H 1 2.034 0.002 . 2 . . . . A 21 XCP HEA . 30989 1 148 . 1 . 1 21 21 XCP HG H 1 1.758 0.000 . 2 . . . . A 21 XCP HG . 30989 1 149 . 1 . 1 21 21 XCP HGA H 1 2.049 0.002 . 2 . . . . A 21 XCP HGA . 30989 1 150 . 1 . 1 21 21 XCP HN H 1 8.063 0.001 . 1 . . . . A 21 XCP HN . 30989 1 151 . 1 . 1 22 22 LYS H H 1 8.214 0.001 . 1 . . . . A 22 LYS H . 30989 1 152 . 1 . 1 22 22 LYS HA H 1 4.276 0.002 . 1 . . . . A 22 LYS HA . 30989 1 153 . 1 . 1 22 22 LYS HB2 H 1 1.692 0.004 . 2 . . . . A 22 LYS HB2 . 30989 1 154 . 1 . 1 22 22 LYS HB3 H 1 1.781 0.001 . 2 . . . . A 22 LYS HB3 . 30989 1 155 . 1 . 1 22 22 LYS HG2 H 1 1.361 0.000 . 2 . . . . A 22 LYS HG2 . 30989 1 156 . 1 . 1 22 22 LYS HG3 H 1 1.406 0.001 . 2 . . . . A 22 LYS HG3 . 30989 1 157 . 1 . 1 22 22 LYS HE2 H 1 2.968 0.000 . 1 . . . . A 22 LYS HE2 . 30989 1 158 . 1 . 1 22 22 LYS HE3 H 1 2.968 0.000 . 1 . . . . A 22 LYS HE3 . 30989 1 159 . 1 . 1 23 23 LEU H H 1 8.201 0.001 . 1 . . . . A 23 LEU H . 30989 1 160 . 1 . 1 23 23 LEU HA H 1 4.264 0.001 . 1 . . . . A 23 LEU HA . 30989 1 161 . 1 . 1 23 23 LEU HB2 H 1 1.492 0.001 . 2 . . . . A 23 LEU HB2 . 30989 1 162 . 1 . 1 23 23 LEU HB3 H 1 1.637 0.000 . 2 . . . . A 23 LEU HB3 . 30989 1 163 . 1 . 1 23 23 LEU HG H 1 1.567 0.001 . 1 . . . . A 23 LEU HG . 30989 1 164 . 1 . 1 23 23 LEU HD11 H 1 0.839 0.000 . 2 . . . . A 23 LEU HD11 . 30989 1 165 . 1 . 1 23 23 LEU HD12 H 1 0.839 0.000 . 2 . . . . A 23 LEU HD12 . 30989 1 166 . 1 . 1 23 23 LEU HD13 H 1 0.839 0.000 . 2 . . . . A 23 LEU HD13 . 30989 1 167 . 1 . 1 23 23 LEU HD21 H 1 0.880 0.000 . 2 . . . . A 23 LEU HD21 . 30989 1 168 . 1 . 1 23 23 LEU HD22 H 1 0.880 0.000 . 2 . . . . A 23 LEU HD22 . 30989 1 169 . 1 . 1 23 23 LEU HD23 H 1 0.880 0.000 . 2 . . . . A 23 LEU HD23 . 30989 1 170 . 1 . 1 24 24 1VR H H 1 7.873 0.000 . 1 . . . . A 24 1VR H . 30989 1 171 . 1 . 1 24 24 1VR H3 H 1 0.876 0.000 . 2 . . . . A 24 1VR H3 . 30989 1 172 . 1 . 1 24 24 1VR H6 H 1 0.852 0.000 . 2 . . . . A 24 1VR H6 . 30989 1 173 . 1 . 1 24 24 1VR HA1 H 1 2.476 0.000 . 2 . . . . A 24 1VR HA1 . 30989 1 174 . 1 . 1 24 24 1VR HA2 H 1 2.568 0.003 . 2 . . . . A 24 1VR HA2 . 30989 1 175 . 1 . 1 24 24 1VR HB H 1 3.999 0.002 . 1 . . . . A 24 1VR HB . 30989 1 176 . 1 . 1 24 24 1VR HG H 1 1.771 0.001 . 1 . . . . A 24 1VR HG . 30989 1 177 . 1 . 1 25 25 CYS H H 1 8.275 0.000 . 1 . . . . A 25 CYS H . 30989 1 178 . 1 . 1 25 25 CYS HA H 1 4.705 0.001 . 1 . . . . A 25 CYS HA . 30989 1 179 . 1 . 1 25 25 CYS HB2 H 1 2.949 0.000 . 2 . . . . A 25 CYS HB2 . 30989 1 180 . 1 . 1 25 25 CYS HB3 H 1 3.216 0.000 . 2 . . . . A 25 CYS HB3 . 30989 1 181 . 1 . 1 26 26 LYS H H 1 8.470 0.001 . 1 . . . . A 26 LYS H . 30989 1 182 . 1 . 1 26 26 LYS HA H 1 4.311 0.001 . 1 . . . . A 26 LYS HA . 30989 1 183 . 1 . 1 26 26 LYS HB2 H 1 1.788 0.002 . 2 . . . . A 26 LYS HB2 . 30989 1 184 . 1 . 1 26 26 LYS HB3 H 1 1.871 0.002 . 2 . . . . A 26 LYS HB3 . 30989 1 185 . 1 . 1 26 26 LYS HG2 H 1 1.418 0.000 . 2 . . . . A 26 LYS HG2 . 30989 1 186 . 1 . 1 26 26 LYS HG3 H 1 1.476 0.000 . 2 . . . . A 26 LYS HG3 . 30989 1 187 . 1 . 1 27 27 CYS H H 1 8.410 0.000 . 1 . . . . A 27 CYS H . 30989 1 188 . 1 . 1 27 27 CYS HA H 1 4.623 0.000 . 1 . . . . A 27 CYS HA . 30989 1 189 . 1 . 1 27 27 CYS HB2 H 1 3.052 0.000 . 2 . . . . A 27 CYS HB2 . 30989 1 190 . 1 . 1 27 27 CYS HB3 H 1 3.252 0.001 . 2 . . . . A 27 CYS HB3 . 30989 1 191 . 1 . 1 28 28 NH2 HN1 H 1 7.277 0.000 . 2 . . . . A 28 NH2 HN1 . 30989 1 192 . 1 . 1 28 28 NH2 HN2 H 1 7.640 0.000 . 2 . . . . A 28 NH2 HN2 . 30989 1 stop_ save_