################################### # 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 30990 _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' . . . 30990 1 2 '2D 1H-1H NOESY' . . . 30990 1 3 '2D 1H-1H COSY' . . . 30990 1 4 '2D DQF-COSY' . . . 30990 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 3.859 0.000 . 1 . . . . A 1 GLY HA2 . 30990 1 2 . 1 . 1 1 1 GLY HA3 H 1 3.859 0.000 . 1 . . . . A 1 GLY HA3 . 30990 1 3 . 1 . 1 2 2 LEU H H 1 8.504 0.001 . 1 . . . . A 2 LEU H . 30990 1 4 . 1 . 1 2 2 LEU HA H 1 4.251 0.000 . 1 . . . . A 2 LEU HA . 30990 1 5 . 1 . 1 2 2 LEU HB2 H 1 1.543 0.000 . 2 . . . . A 2 LEU HB2 . 30990 1 6 . 1 . 1 2 2 LEU HB3 H 1 1.589 0.000 . 2 . . . . A 2 LEU HB3 . 30990 1 7 . 1 . 1 2 2 LEU HG H 1 1.592 0.001 . 1 . . . . A 2 LEU HG . 30990 1 8 . 1 . 1 2 2 LEU HD11 H 1 0.869 0.000 . 2 . . . . A 2 LEU HD11 . 30990 1 9 . 1 . 1 2 2 LEU HD12 H 1 0.869 0.000 . 2 . . . . A 2 LEU HD12 . 30990 1 10 . 1 . 1 2 2 LEU HD13 H 1 0.869 0.000 . 2 . . . . A 2 LEU HD13 . 30990 1 11 . 1 . 1 2 2 LEU HD21 H 1 0.905 0.000 . 2 . . . . A 2 LEU HD21 . 30990 1 12 . 1 . 1 2 2 LEU HD22 H 1 0.905 0.000 . 2 . . . . A 2 LEU HD22 . 30990 1 13 . 1 . 1 2 2 LEU HD23 H 1 0.905 0.000 . 2 . . . . A 2 LEU HD23 . 30990 1 14 . 1 . 1 3 3 XCP HA H 1 2.660 0.002 . 1 . . . . A 3 XCP HA . 30990 1 15 . 1 . 1 3 3 XCP HB H 1 4.253 0.001 . 1 . . . . A 3 XCP HB . 30990 1 16 . 1 . 1 3 3 XCP HD H 1 1.639 0.000 . 1 . . . . A 3 XCP HD . 30990 1 17 . 1 . 1 3 3 XCP HE H 1 1.781 0.000 . 2 . . . . A 3 XCP HE . 30990 1 18 . 1 . 1 3 3 XCP HEA H 1 2.078 0.000 . 2 . . . . A 3 XCP HEA . 30990 1 19 . 1 . 1 3 3 XCP HG H 1 1.721 0.000 . 2 . . . . A 3 XCP HG . 30990 1 20 . 1 . 1 3 3 XCP HGA H 1 2.067 0.001 . 2 . . . . A 3 XCP HGA . 30990 1 21 . 1 . 1 3 3 XCP HN H 1 8.225 0.001 . 1 . . . . A 3 XCP HN . 30990 1 22 . 1 . 1 4 4 ARG H H 1 8.313 0.000 . 1 . . . . A 4 ARG H . 30990 1 23 . 1 . 1 4 4 ARG HA H 1 4.191 0.006 . 1 . . . . A 4 ARG HA . 30990 1 24 . 1 . 1 4 4 ARG HB2 H 1 1.840 0.000 . 2 . . . . A 4 ARG HB2 . 30990 1 25 . 1 . 1 4 4 ARG HB3 H 1 1.779 0.000 . 2 . . . . A 4 ARG HB3 . 30990 1 26 . 1 . 1 4 4 ARG HG2 H 1 1.649 0.000 . 1 . . . . A 4 ARG HG2 . 30990 1 27 . 1 . 1 4 4 ARG HG3 H 1 1.649 0.000 . 1 . . . . A 4 ARG HG3 . 30990 1 28 . 1 . 1 4 4 ARG HD2 H 1 3.212 0.001 . 1 . . . . A 4 ARG HD2 . 30990 1 29 . 1 . 1 4 4 ARG HD3 H 1 3.212 0.001 . 1 . . . . A 4 ARG HD3 . 30990 1 30 . 1 . 1 4 4 ARG HE H 1 7.239 0.000 . 1 . . . . A 4 ARG HE . 30990 1 31 . 1 . 1 5 5 LYS H H 1 8.225 0.002 . 1 . . . . A 5 LYS H . 30990 1 32 . 1 . 1 5 5 LYS HA H 1 4.163 0.000 . 1 . . . . A 5 LYS HA . 30990 1 33 . 1 . 1 5 5 LYS HB2 H 1 1.818 0.000 . 2 . . . . A 5 LYS HB2 . 30990 1 34 . 1 . 1 5 5 LYS HB3 H 1 1.840 0.000 . 2 . . . . A 5 LYS HB3 . 30990 1 35 . 1 . 1 5 5 LYS HG2 H 1 1.490 0.000 . 2 . . . . A 5 LYS HG2 . 30990 1 36 . 1 . 1 5 5 LYS HG3 H 1 1.627 0.000 . 2 . . . . A 5 LYS HG3 . 30990 1 37 . 1 . 1 5 5 LYS HD2 H 1 1.681 0.000 . 1 . . . . A 5 LYS HD2 . 30990 1 38 . 1 . 1 5 5 LYS HD3 H 1 1.681 0.000 . 1 . . . . A 5 LYS HD3 . 30990 1 39 . 1 . 1 5 5 LYS HE2 H 1 2.997 0.000 . 1 . . . . A 5 LYS HE2 . 30990 1 40 . 1 . 1 5 5 LYS HE3 H 1 2.997 0.000 . 1 . . . . A 5 LYS HE3 . 30990 1 41 . 1 . 1 6 6 XCP HA H 1 2.698 0.001 . 1 . . . . A 6 XCP HA . 30990 1 42 . 1 . 1 6 6 XCP HB H 1 4.238 0.000 . 1 . . . . A 6 XCP HB . 30990 1 43 . 1 . 1 6 6 XCP HD H 1 1.552 0.000 . 1 . . . . A 6 XCP HD . 30990 1 44 . 1 . 1 6 6 XCP HE H 1 1.793 0.000 . 2 . . . . A 6 XCP HE . 30990 1 45 . 1 . 1 6 6 XCP HEA H 1 2.003 0.000 . 2 . . . . A 6 XCP HEA . 30990 1 46 . 1 . 1 6 6 XCP HG H 1 1.731 0.001 . 2 . . . . A 6 XCP HG . 30990 1 47 . 1 . 1 6 6 XCP HGA H 1 2.026 0.000 . 2 . . . . A 6 XCP HGA . 30990 1 48 . 1 . 1 6 6 XCP HN H 1 7.967 0.001 . 1 . . . . A 6 XCP HN . 30990 1 49 . 1 . 1 7 7 LEU H H 1 8.237 0.001 . 1 . . . . A 7 LEU H . 30990 1 50 . 1 . 1 7 7 LEU HA H 1 4.185 0.003 . 1 . . . . A 7 LEU HA . 30990 1 51 . 1 . 1 7 7 LEU HB2 H 1 1.606 0.000 . 2 . . . . A 7 LEU HB2 . 30990 1 52 . 1 . 1 7 7 LEU HB3 H 1 1.717 0.000 . 2 . . . . A 7 LEU HB3 . 30990 1 53 . 1 . 1 7 7 LEU HG H 1 1.678 0.001 . 1 . . . . A 7 LEU HG . 30990 1 54 . 1 . 1 7 7 LEU HD11 H 1 0.888 0.000 . 2 . . . . A 7 LEU HD11 . 30990 1 55 . 1 . 1 7 7 LEU HD12 H 1 0.888 0.000 . 2 . . . . A 7 LEU HD12 . 30990 1 56 . 1 . 1 7 7 LEU HD13 H 1 0.888 0.000 . 2 . . . . A 7 LEU HD13 . 30990 1 57 . 1 . 1 7 7 LEU HD21 H 1 0.933 0.000 . 2 . . . . A 7 LEU HD21 . 30990 1 58 . 1 . 1 7 7 LEU HD22 H 1 0.933 0.000 . 2 . . . . A 7 LEU HD22 . 30990 1 59 . 1 . 1 7 7 LEU HD23 H 1 0.933 0.000 . 2 . . . . A 7 LEU HD23 . 30990 1 60 . 1 . 1 8 8 CYS H H 1 8.294 0.001 . 1 . . . . A 8 CYS H . 30990 1 61 . 1 . 1 8 8 CYS HA H 1 4.658 0.002 . 1 . . . . A 8 CYS HA . 30990 1 62 . 1 . 1 8 8 CYS HB2 H 1 3.079 0.004 . 2 . . . . A 8 CYS HB2 . 30990 1 63 . 1 . 1 8 8 CYS HB3 H 1 3.266 0.001 . 2 . . . . A 8 CYS HB3 . 30990 1 64 . 1 . 1 9 9 ALA H H 1 8.009 0.001 . 1 . . . . A 9 ALA H . 30990 1 65 . 1 . 1 9 9 ALA HA H 1 4.140 0.001 . 1 . . . . A 9 ALA HA . 30990 1 66 . 1 . 1 9 9 ALA HB1 H 1 1.389 0.001 . 1 . . . . A 9 ALA HB1 . 30990 1 67 . 1 . 1 9 9 ALA HB2 H 1 1.389 0.001 . 1 . . . . A 9 ALA HB2 . 30990 1 68 . 1 . 1 9 9 ALA HB3 H 1 1.389 0.001 . 1 . . . . A 9 ALA HB3 . 30990 1 69 . 1 . 1 10 10 XCP HA H 1 2.674 0.003 . 1 . . . . A 10 XCP HA . 30990 1 70 . 1 . 1 10 10 XCP HB H 1 4.207 0.001 . 1 . . . . A 10 XCP HB . 30990 1 71 . 1 . 1 10 10 XCP HD H 1 1.654 0.003 . 1 . . . . A 10 XCP HD . 30990 1 72 . 1 . 1 10 10 XCP HE H 1 1.792 0.000 . 2 . . . . A 10 XCP HE . 30990 1 73 . 1 . 1 10 10 XCP HEA H 1 2.024 0.000 . 2 . . . . A 10 XCP HEA . 30990 1 74 . 1 . 1 10 10 XCP HG H 1 1.784 0.000 . 2 . . . . A 10 XCP HG . 30990 1 75 . 1 . 1 10 10 XCP HGA H 1 2.028 0.000 . 2 . . . . A 10 XCP HGA . 30990 1 76 . 1 . 1 10 10 XCP HN H 1 7.866 0.001 . 1 . . . . A 10 XCP HN . 30990 1 77 . 1 . 1 11 11 ALA H H 1 8.206 0.000 . 1 . . . . A 11 ALA H . 30990 1 78 . 1 . 1 11 11 ALA HA H 1 4.137 0.001 . 1 . . . . A 11 ALA HA . 30990 1 79 . 1 . 1 11 11 ALA HB1 H 1 1.433 0.002 . 1 . . . . A 11 ALA HB1 . 30990 1 80 . 1 . 1 11 11 ALA HB2 H 1 1.433 0.002 . 1 . . . . A 11 ALA HB2 . 30990 1 81 . 1 . 1 11 11 ALA HB3 H 1 1.433 0.002 . 1 . . . . A 11 ALA HB3 . 30990 1 82 . 1 . 1 12 12 LYS H H 1 8.035 0.001 . 1 . . . . A 12 LYS H . 30990 1 83 . 1 . 1 12 12 LYS HA H 1 4.172 0.000 . 1 . . . . A 12 LYS HA . 30990 1 84 . 1 . 1 12 12 LYS HB2 H 1 1.819 0.000 . 2 . . . . A 12 LYS HB2 . 30990 1 85 . 1 . 1 12 12 LYS HB3 H 1 1.881 0.000 . 2 . . . . A 12 LYS HB3 . 30990 1 86 . 1 . 1 12 12 LYS HG2 H 1 1.523 0.000 . 1 . . . . A 12 LYS HG2 . 30990 1 87 . 1 . 1 12 12 LYS HG3 H 1 1.523 0.000 . 1 . . . . A 12 LYS HG3 . 30990 1 88 . 1 . 1 12 12 LYS HD2 H 1 1.667 0.000 . 1 . . . . A 12 LYS HD2 . 30990 1 89 . 1 . 1 12 12 LYS HD3 H 1 1.667 0.000 . 1 . . . . A 12 LYS HD3 . 30990 1 90 . 1 . 1 12 12 LYS HE2 H 1 2.993 0.000 . 1 . . . . A 12 LYS HE2 . 30990 1 91 . 1 . 1 12 12 LYS HE3 H 1 2.993 0.000 . 1 . . . . A 12 LYS HE3 . 30990 1 92 . 1 . 1 13 13 B3K H H 1 7.630 0.002 . 1 . . . . A 13 B3K H . 30990 1 93 . 1 . 1 13 13 B3K HA1 H 1 2.471 0.002 . 2 . . . . A 13 B3K HA1 . 30990 1 94 . 1 . 1 13 13 B3K HA2 H 1 2.548 0.001 . 2 . . . . A 13 B3K HA2 . 30990 1 95 . 1 . 1 13 13 B3K HB H 1 4.182 0.003 . 1 . . . . A 13 B3K HB . 30990 1 96 . 1 . 1 13 13 B3K HD2 H 1 1.342 0.000 . 2 . . . . A 13 B3K HD2 . 30990 1 97 . 1 . 1 13 13 B3K HD3 H 1 1.414 0.000 . 2 . . . . A 13 B3K HD3 . 30990 1 98 . 1 . 1 13 13 B3K HE2 H 1 1.672 0.003 . 1 . . . . A 13 B3K HE2 . 30990 1 99 . 1 . 1 13 13 B3K HF1 H 1 2.958 0.000 . 1 . . . . A 13 B3K HF1 . 30990 1 100 . 1 . 1 13 13 B3K HG2 H 1 1.531 0.000 . 2 . . . . A 13 B3K HG2 . 30990 1 101 . 1 . 1 13 13 B3K HG3 H 1 1.578 0.000 . 2 . . . . A 13 B3K HG3 . 30990 1 102 . 1 . 1 14 14 LYS H H 1 8.286 0.000 . 1 . . . . A 14 LYS H . 30990 1 103 . 1 . 1 14 14 LYS HA H 1 4.196 0.000 . 1 . . . . A 14 LYS HA . 30990 1 104 . 1 . 1 14 14 LYS HB2 H 1 1.754 0.000 . 2 . . . . A 14 LYS HB2 . 30990 1 105 . 1 . 1 14 14 LYS HB3 H 1 1.799 0.000 . 2 . . . . A 14 LYS HB3 . 30990 1 106 . 1 . 1 14 14 LYS HG2 H 1 1.392 0.000 . 2 . . . . A 14 LYS HG2 . 30990 1 107 . 1 . 1 14 14 LYS HG3 H 1 1.465 0.000 . 2 . . . . A 14 LYS HG3 . 30990 1 108 . 1 . 1 14 14 LYS HD2 H 1 1.697 0.000 . 1 . . . . A 14 LYS HD2 . 30990 1 109 . 1 . 1 14 14 LYS HD3 H 1 1.697 0.000 . 1 . . . . A 14 LYS HD3 . 30990 1 110 . 1 . 1 15 15 DAL H H 1 8.422 0.001 . 1 . . . . A 15 DAL H . 30990 1 111 . 1 . 1 15 15 DAL HA H 1 4.316 0.000 . 1 . . . . A 15 DAL HA . 30990 1 112 . 1 . 1 15 15 DAL HB1 H 1 1.415 0.000 . 1 . . . . A 15 DAL HB1 . 30990 1 113 . 1 . 1 16 16 LYS H H 1 8.211 0.000 . 1 . . . . A 16 LYS H . 30990 1 114 . 1 . 1 16 16 LYS HA H 1 4.330 0.000 . 1 . . . . A 16 LYS HA . 30990 1 115 . 1 . 1 16 16 LYS HB2 H 1 1.775 0.000 . 2 . . . . A 16 LYS HB2 . 30990 1 116 . 1 . 1 16 16 LYS HB3 H 1 1.857 0.000 . 2 . . . . A 16 LYS HB3 . 30990 1 117 . 1 . 1 16 16 LYS HG2 H 1 1.367 0.000 . 2 . . . . A 16 LYS HG2 . 30990 1 118 . 1 . 1 16 16 LYS HG3 H 1 1.414 0.000 . 2 . . . . A 16 LYS HG3 . 30990 1 119 . 1 . 1 16 16 LYS HD2 H 1 1.714 0.001 . 1 . . . . A 16 LYS HD2 . 30990 1 120 . 1 . 1 16 16 LYS HD3 H 1 1.714 0.001 . 1 . . . . A 16 LYS HD3 . 30990 1 121 . 1 . 1 16 16 LYS HE2 H 1 3.000 0.000 . 1 . . . . A 16 LYS HE2 . 30990 1 122 . 1 . 1 16 16 LYS HE3 H 1 3.000 0.000 . 1 . . . . A 16 LYS HE3 . 30990 1 123 . 1 . 1 17 17 CYS H H 1 8.378 0.000 . 1 . . . . A 17 CYS H . 30990 1 124 . 1 . 1 17 17 CYS HA H 1 4.617 0.000 . 1 . . . . A 17 CYS HA . 30990 1 125 . 1 . 1 17 17 CYS HB2 H 1 3.064 0.001 . 2 . . . . A 17 CYS HB2 . 30990 1 126 . 1 . 1 17 17 CYS HB3 H 1 3.212 0.002 . 2 . . . . A 17 CYS HB3 . 30990 1 127 . 1 . 1 18 18 LYS H H 1 8.187 0.000 . 1 . . . . A 18 LYS H . 30990 1 128 . 1 . 1 18 18 LYS HA H 1 4.352 0.000 . 1 . . . . A 18 LYS HA . 30990 1 129 . 1 . 1 18 18 LYS HB2 H 1 1.730 0.000 . 2 . . . . A 18 LYS HB2 . 30990 1 130 . 1 . 1 18 18 LYS HB3 H 1 1.811 0.000 . 2 . . . . A 18 LYS HB3 . 30990 1 131 . 1 . 1 18 18 LYS HG2 H 1 1.416 0.000 . 1 . . . . A 18 LYS HG2 . 30990 1 132 . 1 . 1 18 18 LYS HG3 H 1 1.416 0.000 . 1 . . . . A 18 LYS HG3 . 30990 1 133 . 1 . 1 18 18 LYS HD2 H 1 1.684 0.001 . 1 . . . . A 18 LYS HD2 . 30990 1 134 . 1 . 1 18 18 LYS HD3 H 1 1.684 0.001 . 1 . . . . A 18 LYS HD3 . 30990 1 135 . 1 . 1 18 18 LYS HE2 H 1 2.998 0.000 . 1 . . . . A 18 LYS HE2 . 30990 1 136 . 1 . 1 18 18 LYS HE3 H 1 2.998 0.000 . 1 . . . . A 18 LYS HE3 . 30990 1 137 . 1 . 1 19 19 DAL H H 1 8.529 0.001 . 1 . . . . A 19 DAL H . 30990 1 138 . 1 . 1 19 19 DAL HA H 1 4.316 0.000 . 1 . . . . A 19 DAL HA . 30990 1 139 . 1 . 1 19 19 DAL HB1 H 1 1.391 0.001 . 1 . . . . A 19 DAL HB1 . 30990 1 140 . 1 . 1 20 20 ALA H H 1 8.082 0.001 . 1 . . . . A 20 ALA H . 30990 1 141 . 1 . 1 20 20 ALA HA H 1 4.191 0.001 . 1 . . . . A 20 ALA HA . 30990 1 142 . 1 . 1 20 20 ALA HB1 H 1 1.381 0.001 . 1 . . . . A 20 ALA HB1 . 30990 1 143 . 1 . 1 20 20 ALA HB2 H 1 1.381 0.001 . 1 . . . . A 20 ALA HB2 . 30990 1 144 . 1 . 1 20 20 ALA HB3 H 1 1.381 0.001 . 1 . . . . A 20 ALA HB3 . 30990 1 145 . 1 . 1 21 21 XCP HA H 1 2.628 0.001 . 1 . . . . A 21 XCP HA . 30990 1 146 . 1 . 1 21 21 XCP HB H 1 4.193 0.001 . 1 . . . . A 21 XCP HB . 30990 1 147 . 1 . 1 21 21 XCP HD H 1 1.659 0.000 . 1 . . . . A 21 XCP HD . 30990 1 148 . 1 . 1 21 21 XCP HE H 1 1.743 0.002 . 2 . . . . A 21 XCP HE . 30990 1 149 . 1 . 1 21 21 XCP HEA H 1 2.029 0.000 . 2 . . . . A 21 XCP HEA . 30990 1 150 . 1 . 1 21 21 XCP HG H 1 1.799 0.000 . 2 . . . . A 21 XCP HG . 30990 1 151 . 1 . 1 21 21 XCP HGA H 1 2.058 0.000 . 2 . . . . A 21 XCP HGA . 30990 1 152 . 1 . 1 21 21 XCP HN H 1 8.069 0.001 . 1 . . . . A 21 XCP HN . 30990 1 153 . 1 . 1 22 22 LYS H H 1 8.034 0.001 . 1 . . . . A 22 LYS H . 30990 1 154 . 1 . 1 22 22 LYS HA H 1 4.173 0.000 . 1 . . . . A 22 LYS HA . 30990 1 155 . 1 . 1 22 22 LYS HB2 H 1 1.796 0.000 . 1 . . . . A 22 LYS HB2 . 30990 1 156 . 1 . 1 22 22 LYS HB3 H 1 1.796 0.000 . 1 . . . . A 22 LYS HB3 . 30990 1 157 . 1 . 1 22 22 LYS HG2 H 1 1.382 0.000 . 2 . . . . A 22 LYS HG2 . 30990 1 158 . 1 . 1 22 22 LYS HG3 H 1 1.421 0.000 . 2 . . . . A 22 LYS HG3 . 30990 1 159 . 1 . 1 22 22 LYS HD2 H 1 1.683 0.001 . 1 . . . . A 22 LYS HD2 . 30990 1 160 . 1 . 1 22 22 LYS HD3 H 1 1.683 0.001 . 1 . . . . A 22 LYS HD3 . 30990 1 161 . 1 . 1 22 22 LYS HE2 H 1 2.997 0.000 . 1 . . . . A 22 LYS HE2 . 30990 1 162 . 1 . 1 22 22 LYS HE3 H 1 2.997 0.000 . 1 . . . . A 22 LYS HE3 . 30990 1 163 . 1 . 1 23 23 LEU H H 1 8.122 0.001 . 1 . . . . A 23 LEU H . 30990 1 164 . 1 . 1 23 23 LEU HA H 1 4.265 0.001 . 1 . . . . A 23 LEU HA . 30990 1 165 . 1 . 1 23 23 LEU HB2 H 1 1.559 0.000 . 2 . . . . A 23 LEU HB2 . 30990 1 166 . 1 . 1 23 23 LEU HB3 H 1 1.737 0.000 . 2 . . . . A 23 LEU HB3 . 30990 1 167 . 1 . 1 23 23 LEU HG H 1 1.614 0.002 . 1 . . . . A 23 LEU HG . 30990 1 168 . 1 . 1 23 23 LEU HD11 H 1 0.847 0.001 . 2 . . . . A 23 LEU HD11 . 30990 1 169 . 1 . 1 23 23 LEU HD12 H 1 0.847 0.001 . 2 . . . . A 23 LEU HD12 . 30990 1 170 . 1 . 1 23 23 LEU HD13 H 1 0.847 0.001 . 2 . . . . A 23 LEU HD13 . 30990 1 171 . 1 . 1 23 23 LEU HD21 H 1 0.907 0.002 . 2 . . . . A 23 LEU HD21 . 30990 1 172 . 1 . 1 23 23 LEU HD22 H 1 0.907 0.002 . 2 . . . . A 23 LEU HD22 . 30990 1 173 . 1 . 1 23 23 LEU HD23 H 1 0.907 0.002 . 2 . . . . A 23 LEU HD23 . 30990 1 174 . 1 . 1 24 24 1VR H H 1 7.793 0.000 . 1 . . . . A 24 1VR H . 30990 1 175 . 1 . 1 24 24 1VR H3 H 1 0.861 0.002 . 2 . . . . A 24 1VR H3 . 30990 1 176 . 1 . 1 24 24 1VR H6 H 1 0.820 0.000 . 2 . . . . A 24 1VR H6 . 30990 1 177 . 1 . 1 24 24 1VR HA1 H 1 2.512 0.000 . 2 . . . . A 24 1VR HA1 . 30990 1 178 . 1 . 1 24 24 1VR HA2 H 1 2.553 0.000 . 2 . . . . A 24 1VR HA2 . 30990 1 179 . 1 . 1 24 24 1VR HB H 1 3.976 0.002 . 1 . . . . A 24 1VR HB . 30990 1 180 . 1 . 1 24 24 1VR HG H 1 1.742 0.001 . 1 . . . . A 24 1VR HG . 30990 1 181 . 1 . 1 25 25 CYS H H 1 8.271 0.000 . 1 . . . . A 25 CYS H . 30990 1 182 . 1 . 1 25 25 CYS HA H 1 4.608 0.000 . 1 . . . . A 25 CYS HA . 30990 1 183 . 1 . 1 25 25 CYS HB2 H 1 3.030 0.000 . 2 . . . . A 25 CYS HB2 . 30990 1 184 . 1 . 1 25 25 CYS HB3 H 1 3.213 0.001 . 2 . . . . A 25 CYS HB3 . 30990 1 185 . 1 . 1 26 26 LYS H H 1 8.189 0.002 . 1 . . . . A 26 LYS H . 30990 1 186 . 1 . 1 26 26 LYS HA H 1 4.319 0.000 . 1 . . . . A 26 LYS HA . 30990 1 187 . 1 . 1 26 26 LYS HB2 H 1 1.827 0.000 . 2 . . . . A 26 LYS HB2 . 30990 1 188 . 1 . 1 26 26 LYS HB3 H 1 1.901 0.000 . 2 . . . . A 26 LYS HB3 . 30990 1 189 . 1 . 1 26 26 LYS HG2 H 1 1.354 0.000 . 2 . . . . A 26 LYS HG2 . 30990 1 190 . 1 . 1 26 26 LYS HG3 H 1 1.468 0.000 . 2 . . . . A 26 LYS HG3 . 30990 1 191 . 1 . 1 26 26 LYS HD2 H 1 1.685 0.000 . 1 . . . . A 26 LYS HD2 . 30990 1 192 . 1 . 1 26 26 LYS HD3 H 1 1.685 0.000 . 1 . . . . A 26 LYS HD3 . 30990 1 193 . 1 . 1 26 26 LYS HE2 H 1 2.999 0.000 . 1 . . . . A 26 LYS HE2 . 30990 1 194 . 1 . 1 26 26 LYS HE3 H 1 2.999 0.000 . 1 . . . . A 26 LYS HE3 . 30990 1 195 . 1 . 1 27 27 CYS H H 1 8.207 0.000 . 1 . . . . A 27 CYS H . 30990 1 196 . 1 . 1 27 27 CYS HA H 1 4.589 0.002 . 1 . . . . A 27 CYS HA . 30990 1 197 . 1 . 1 27 27 CYS HB2 H 1 3.148 0.002 . 2 . . . . A 27 CYS HB2 . 30990 1 198 . 1 . 1 27 27 CYS HB3 H 1 3.189 0.000 . 2 . . . . A 27 CYS HB3 . 30990 1 199 . 1 . 1 28 28 NH2 HN1 H 1 7.242 0.000 . 2 . . . . A 28 NH2 HN1 . 30990 1 200 . 1 . 1 28 28 NH2 HN2 H 1 7.645 0.000 . 2 . . . . A 28 NH2 HN2 . 30990 1 stop_ save_