################################### # 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 17956 _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' . . . 17956 1 2 '2D 1H-1H COSY' . . . 17956 1 3 '2D 1H-1H NOESY' . . . 17956 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 ARG H H 1 8.310 0.001 . 1 . . . A 2 ARG H . 17956 1 2 . 1 1 2 2 ARG HA H 1 4.237 0.003 . 1 . . . A 2 ARG HA . 17956 1 3 . 1 1 2 2 ARG HB2 H 1 1.737 0.003 . 2 . . . A 2 ARG HB2 . 17956 1 4 . 1 1 2 2 ARG HB3 H 1 1.631 0.003 . 2 . . . A 2 ARG HB3 . 17956 1 5 . 1 1 2 2 ARG HG2 H 1 1.539 0.003 . 2 . . . A 2 ARG HG2 . 17956 1 6 . 1 1 2 2 ARG HG3 H 1 1.448 0.003 . 2 . . . A 2 ARG HG3 . 17956 1 7 . 1 1 2 2 ARG HD2 H 1 3.114 0.007 . 2 . . . A 2 ARG HD2 . 17956 1 8 . 1 1 2 2 ARG HD3 H 1 3.114 0.007 . 2 . . . A 2 ARG HD3 . 17956 1 9 . 1 1 2 2 ARG HE H 1 7.224 0.004 . 1 . . . A 2 ARG HE . 17956 1 10 . 1 1 3 3 ALA H H 1 8.169 0.003 . 1 . . . A 3 ALA H . 17956 1 11 . 1 1 3 3 ALA HA H 1 4.313 0.004 . 1 . . . A 3 ALA HA . 17956 1 12 . 1 1 3 3 ALA HB1 H 1 1.210 0.006 . 1 . . . A 3 ALA HB1 . 17956 1 13 . 1 1 3 3 ALA HB2 H 1 1.210 0.006 . 1 . . . A 3 ALA HB2 . 17956 1 14 . 1 1 3 3 ALA HB3 H 1 1.210 0.006 . 1 . . . A 3 ALA HB3 . 17956 1 15 . 1 1 4 4 CYS H H 1 8.323 0.003 . 1 . . . A 4 CYS H . 17956 1 16 . 1 1 4 4 CYS HA H 1 4.840 0.003 . 1 . . . A 4 CYS HA . 17956 1 17 . 1 1 4 4 CYS HB2 H 1 2.806 0.003 . 2 . . . A 4 CYS HB2 . 17956 1 18 . 1 1 4 4 CYS HB3 H 1 2.806 0.003 . 2 . . . A 4 CYS HB3 . 17956 1 19 . 1 1 5 5 PRO HA H 1 4.328 0.003 . 1 . . . A 5 PRO HA . 17956 1 20 . 1 1 5 5 PRO HB2 H 1 1.782 0.003 . 2 . . . A 5 PRO HB2 . 17956 1 21 . 1 1 5 5 PRO HB3 H 1 2.196 0.003 . 2 . . . A 5 PRO HB3 . 17956 1 22 . 1 1 5 5 PRO HG2 H 1 1.906 0.003 . 2 . . . A 5 PRO HG2 . 17956 1 23 . 1 1 5 5 PRO HD2 H 1 3.653 0.003 . 2 . . . A 5 PRO HD2 . 17956 1 24 . 1 1 5 5 PRO HD3 H 1 3.759 0.003 . 2 . . . A 5 PRO HD3 . 17956 1 25 . 1 1 6 6 ARG H H 1 8.227 0.001 . 1 . . . A 6 ARG H . 17956 1 26 . 1 1 6 6 ARG HA H 1 4.166 0.009 . 1 . . . A 6 ARG HA . 17956 1 27 . 1 1 6 6 ARG HB2 H 1 1.591 0.015 . 2 . . . A 6 ARG HB2 . 17956 1 28 . 1 1 6 6 ARG HB3 H 1 1.739 0.008 . 2 . . . A 6 ARG HB3 . 17956 1 29 . 1 1 6 6 ARG HG2 H 1 1.477 0.006 . 2 . . . A 6 ARG HG2 . 17956 1 30 . 1 1 6 6 ARG HG3 H 1 1.477 0.006 . 2 . . . A 6 ARG HG3 . 17956 1 31 . 1 1 6 6 ARG HD2 H 1 3.096 0.010 . 2 . . . A 6 ARG HD2 . 17956 1 32 . 1 1 6 6 ARG HD3 H 1 3.096 0.010 . 2 . . . A 6 ARG HD3 . 17956 1 33 . 1 1 6 6 ARG HE H 1 7.079 0.001 . 1 . . . A 6 ARG HE . 17956 1 34 . 1 1 7 7 ILE H H 1 7.688 0.003 . 1 . . . A 7 ILE H . 17956 1 35 . 1 1 7 7 ILE HA H 1 4.273 0.003 . 1 . . . A 7 ILE HA . 17956 1 36 . 1 1 7 7 ILE HB H 1 1.696 0.006 . 1 . . . A 7 ILE HB . 17956 1 37 . 1 1 7 7 ILE HG12 H 1 0.980 0.010 . 2 . . . A 7 ILE HG12 . 17956 1 38 . 1 1 7 7 ILE HG13 H 1 1.270 0.007 . 2 . . . A 7 ILE HG13 . 17956 1 39 . 1 1 7 7 ILE HG21 H 1 0.732 0.005 . 1 . . . A 7 ILE HG21 . 17956 1 40 . 1 1 7 7 ILE HG22 H 1 0.732 0.005 . 1 . . . A 7 ILE HG22 . 17956 1 41 . 1 1 7 7 ILE HG23 H 1 0.732 0.005 . 1 . . . A 7 ILE HG23 . 17956 1 42 . 1 1 8 8 LEU H H 1 8.606 0.003 . 1 . . . A 8 LEU H . 17956 1 43 . 1 1 8 8 LEU HA H 1 4.416 0.003 . 1 . . . A 8 LEU HA . 17956 1 44 . 1 1 8 8 LEU HB2 H 1 1.391 0.003 . 2 . . . A 8 LEU HB2 . 17956 1 45 . 1 1 8 8 LEU HB3 H 1 1.605 0.003 . 2 . . . A 8 LEU HB3 . 17956 1 46 . 1 1 8 8 LEU HG H 1 1.389 0.003 . 1 . . . A 8 LEU HG . 17956 1 47 . 1 1 8 8 LEU HD11 H 1 0.659 0.006 . 2 . . . A 8 LEU HD11 . 17956 1 48 . 1 1 8 8 LEU HD12 H 1 0.659 0.006 . 2 . . . A 8 LEU HD12 . 17956 1 49 . 1 1 8 8 LEU HD13 H 1 0.659 0.006 . 2 . . . A 8 LEU HD13 . 17956 1 50 . 1 1 8 8 LEU HD21 H 1 0.659 0.006 . 2 . . . A 8 LEU HD21 . 17956 1 51 . 1 1 8 8 LEU HD22 H 1 0.659 0.006 . 2 . . . A 8 LEU HD22 . 17956 1 52 . 1 1 8 8 LEU HD23 H 1 0.659 0.006 . 2 . . . A 8 LEU HD23 . 17956 1 53 . 1 1 9 9 LYS H H 1 8.898 0.002 . 1 . . . A 9 LYS H . 17956 1 54 . 1 1 9 9 LYS HA H 1 4.491 0.002 . 1 . . . A 9 LYS HA . 17956 1 55 . 1 1 9 9 LYS HB2 H 1 1.470 0.003 . 2 . . . A 9 LYS HB2 . 17956 1 56 . 1 1 9 9 LYS HB3 H 1 1.470 0.003 . 2 . . . A 9 LYS HB3 . 17956 1 57 . 1 1 9 9 LYS HG2 H 1 1.311 0.003 . 2 . . . A 9 LYS HG2 . 17956 1 58 . 1 1 9 9 LYS HG3 H 1 1.311 0.003 . 2 . . . A 9 LYS HG3 . 17956 1 59 . 1 1 9 9 LYS HD2 H 1 1.657 0.005 . 2 . . . A 9 LYS HD2 . 17956 1 60 . 1 1 9 9 LYS HD3 H 1 1.657 0.005 . 2 . . . A 9 LYS HD3 . 17956 1 61 . 1 1 9 9 LYS HE2 H 1 2.978 0.003 . 2 . . . A 9 LYS HE2 . 17956 1 62 . 1 1 9 9 LYS HE3 H 1 2.984 0.006 . 2 . . . A 9 LYS HE3 . 17956 1 63 . 1 1 9 9 LYS HZ1 H 1 7.501 0.002 . 1 . . . A 9 LYS HZ1 . 17956 1 64 . 1 1 9 9 LYS HZ2 H 1 7.501 0.002 . 1 . . . A 9 LYS HZ2 . 17956 1 65 . 1 1 9 9 LYS HZ3 H 1 7.501 0.002 . 1 . . . A 9 LYS HZ3 . 17956 1 66 . 1 1 10 10 LYS H H 1 8.528 0.003 . 1 . . . A 10 LYS H . 17956 1 67 . 1 1 10 10 LYS HA H 1 4.233 0.007 . 1 . . . A 10 LYS HA . 17956 1 68 . 1 1 10 10 LYS HB2 H 1 1.549 0.009 . 2 . . . A 10 LYS HB2 . 17956 1 69 . 1 1 10 10 LYS HB3 H 1 1.405 0.008 . 2 . . . A 10 LYS HB3 . 17956 1 70 . 1 1 10 10 LYS HG2 H 1 1.211 0.004 . 2 . . . A 10 LYS HG2 . 17956 1 71 . 1 1 10 10 LYS HG3 H 1 0.851 0.009 . 2 . . . A 10 LYS HG3 . 17956 1 72 . 1 1 10 10 LYS HD2 H 1 1.388 0.003 . 2 . . . A 10 LYS HD2 . 17956 1 73 . 1 1 10 10 LYS HD3 H 1 1.388 0.003 . 2 . . . A 10 LYS HD3 . 17956 1 74 . 1 1 10 10 LYS HE2 H 1 2.830 0.008 . 2 . . . A 10 LYS HE2 . 17956 1 75 . 1 1 10 10 LYS HE3 H 1 2.830 0.008 . 2 . . . A 10 LYS HE3 . 17956 1 76 . 1 1 10 10 LYS HZ1 H 1 7.346 0.002 . 1 . . . A 10 LYS HZ1 . 17956 1 77 . 1 1 10 10 LYS HZ2 H 1 7.346 0.002 . 1 . . . A 10 LYS HZ2 . 17956 1 78 . 1 1 10 10 LYS HZ3 H 1 7.346 0.002 . 1 . . . A 10 LYS HZ3 . 17956 1 79 . 1 1 11 11 CYS H H 1 8.329 0.002 . 1 . . . A 11 CYS H . 17956 1 80 . 1 1 11 11 CYS HA H 1 4.780 0.003 . 1 . . . A 11 CYS HA . 17956 1 81 . 1 1 11 11 CYS HB2 H 1 2.861 0.003 . 2 . . . A 11 CYS HB2 . 17956 1 82 . 1 1 11 11 CYS HB3 H 1 3.089 0.003 . 2 . . . A 11 CYS HB3 . 17956 1 83 . 1 1 12 12 ARG H H 1 9.287 0.002 . 1 . . . A 12 ARG H . 17956 1 84 . 1 1 12 12 ARG HA H 1 4.347 0.003 . 1 . . . A 12 ARG HA . 17956 1 85 . 1 1 12 12 ARG HB2 H 1 1.780 0.003 . 2 . . . A 12 ARG HB2 . 17956 1 86 . 1 1 12 12 ARG HB3 H 1 1.780 0.003 . 2 . . . A 12 ARG HB3 . 17956 1 87 . 1 1 12 12 ARG HG2 H 1 1.637 0.003 . 2 . . . A 12 ARG HG2 . 17956 1 88 . 1 1 12 12 ARG HG3 H 1 1.534 0.003 . 2 . . . A 12 ARG HG3 . 17956 1 89 . 1 1 12 12 ARG HD2 H 1 3.093 0.003 . 2 . . . A 12 ARG HD2 . 17956 1 90 . 1 1 12 12 ARG HD3 H 1 3.093 0.003 . 2 . . . A 12 ARG HD3 . 17956 1 91 . 1 1 12 12 ARG HE H 1 7.186 0.003 . 1 . . . A 12 ARG HE . 17956 1 92 . 1 1 13 13 ARG H H 1 7.963 0.002 . 1 . . . A 13 ARG H . 17956 1 93 . 1 1 13 13 ARG HA H 1 4.626 0.005 . 1 . . . A 13 ARG HA . 17956 1 94 . 1 1 13 13 ARG HB2 H 1 1.693 0.002 . 2 . . . A 13 ARG HB2 . 17956 1 95 . 1 1 13 13 ARG HB3 H 1 1.939 0.004 . 2 . . . A 13 ARG HB3 . 17956 1 96 . 1 1 13 13 ARG HG2 H 1 1.358 0.008 . 2 . . . A 13 ARG HG2 . 17956 1 97 . 1 1 13 13 ARG HG3 H 1 1.463 0.008 . 2 . . . A 13 ARG HG3 . 17956 1 98 . 1 1 13 13 ARG HD2 H 1 3.039 0.003 . 2 . . . A 13 ARG HD2 . 17956 1 99 . 1 1 13 13 ARG HD3 H 1 3.039 0.003 . 2 . . . A 13 ARG HD3 . 17956 1 100 . 1 1 13 13 ARG HE H 1 7.051 0.003 . 1 . . . A 13 ARG HE . 17956 1 101 . 1 1 14 14 ASP H H 1 9.243 0.001 . 1 . . . A 14 ASP H . 17956 1 102 . 1 1 14 14 ASP HA H 1 4.030 0.003 . 1 . . . A 14 ASP HA . 17956 1 103 . 1 1 14 14 ASP HB2 H 1 2.740 0.003 . 2 . . . A 14 ASP HB2 . 17956 1 104 . 1 1 14 14 ASP HB3 H 1 2.924 0.003 . 2 . . . A 14 ASP HB3 . 17956 1 105 . 1 1 15 15 SER H H 1 8.090 0.001 . 1 . . . A 15 SER H . 17956 1 106 . 1 1 15 15 SER HA H 1 4.201 0.001 . 1 . . . A 15 SER HA . 17956 1 107 . 1 1 15 15 SER HB2 H 1 4.013 0.003 . 2 . . . A 15 SER HB2 . 17956 1 108 . 1 1 15 15 SER HB3 H 1 3.733 0.003 . 2 . . . A 15 SER HB3 . 17956 1 109 . 1 1 16 16 ASP H H 1 7.620 0.003 . 1 . . . A 16 ASP H . 17956 1 110 . 1 1 16 16 ASP HA H 1 4.543 0.003 . 1 . . . A 16 ASP HA . 17956 1 111 . 1 1 16 16 ASP HB2 H 1 2.916 0.003 . 2 . . . A 16 ASP HB2 . 17956 1 112 . 1 1 16 16 ASP HB3 H 1 2.916 0.003 . 2 . . . A 16 ASP HB3 . 17956 1 113 . 1 1 17 17 CYS H H 1 8.006 0.003 . 1 . . . A 17 CYS H . 17956 1 114 . 1 1 17 17 CYS HA H 1 4.976 0.003 . 1 . . . A 17 CYS HA . 17956 1 115 . 1 1 17 17 CYS HB2 H 1 2.622 0.003 . 2 . . . A 17 CYS HB2 . 17956 1 116 . 1 1 17 17 CYS HB3 H 1 2.716 0.003 . 2 . . . A 17 CYS HB3 . 17956 1 117 . 1 1 18 18 PRO HA H 1 4.489 0.003 . 1 . . . A 18 PRO HA . 17956 1 118 . 1 1 18 18 PRO HB2 H 1 1.830 0.002 . 2 . . . A 18 PRO HB2 . 17956 1 119 . 1 1 18 18 PRO HB3 H 1 2.199 0.006 . 2 . . . A 18 PRO HB3 . 17956 1 120 . 1 1 18 18 PRO HG2 H 1 1.987 0.001 . 2 . . . A 18 PRO HG2 . 17956 1 121 . 1 1 18 18 PRO HG3 H 1 1.926 0.003 . 2 . . . A 18 PRO HG3 . 17956 1 122 . 1 1 18 18 PRO HD2 H 1 3.661 0.003 . 2 . . . A 18 PRO HD2 . 17956 1 123 . 1 1 18 18 PRO HD3 H 1 3.304 0.002 . 2 . . . A 18 PRO HD3 . 17956 1 124 . 1 1 19 19 GLY H H 1 8.408 0.003 . 1 . . . A 19 GLY H . 17956 1 125 . 1 1 19 19 GLY HA2 H 1 3.737 0.003 . 2 . . . A 19 GLY HA2 . 17956 1 126 . 1 1 19 19 GLY HA3 H 1 3.737 0.003 . 2 . . . A 19 GLY HA3 . 17956 1 127 . 1 1 20 20 GLU H H 1 8.379 0.002 . 1 . . . A 20 GLU H . 17956 1 128 . 1 1 20 20 GLU HA H 1 4.319 0.004 . 1 . . . A 20 GLU HA . 17956 1 129 . 1 1 20 20 GLU HB2 H 1 1.908 0.003 . 2 . . . A 20 GLU HB2 . 17956 1 130 . 1 1 20 20 GLU HB3 H 1 2.383 0.005 . 2 . . . A 20 GLU HB3 . 17956 1 131 . 1 1 20 20 GLU HG2 H 1 2.202 0.003 . 2 . . . A 20 GLU HG2 . 17956 1 132 . 1 1 21 21 CYS H H 1 8.130 0.003 . 1 . . . A 21 CYS H . 17956 1 133 . 1 1 21 21 CYS HA H 1 4.580 0.004 . 1 . . . A 21 CYS HA . 17956 1 134 . 1 1 21 21 CYS HB2 H 1 3.150 0.003 . 2 . . . A 21 CYS HB2 . 17956 1 135 . 1 1 22 22 ILE H H 1 9.089 0.001 . 1 . . . A 22 ILE H . 17956 1 136 . 1 1 22 22 ILE HA H 1 4.302 0.003 . 1 . . . A 22 ILE HA . 17956 1 137 . 1 1 22 22 ILE HB H 1 1.782 0.002 . 1 . . . A 22 ILE HB . 17956 1 138 . 1 1 22 22 ILE HG12 H 1 1.605 0.003 . 2 . . . A 22 ILE HG12 . 17956 1 139 . 1 1 22 22 ILE HG13 H 1 1.605 0.003 . 2 . . . A 22 ILE HG13 . 17956 1 140 . 1 1 22 22 ILE HG21 H 1 0.730 0.003 . 1 . . . A 22 ILE HG21 . 17956 1 141 . 1 1 22 22 ILE HG22 H 1 0.730 0.003 . 1 . . . A 22 ILE HG22 . 17956 1 142 . 1 1 22 22 ILE HG23 H 1 0.730 0.003 . 1 . . . A 22 ILE HG23 . 17956 1 143 . 1 1 23 23 CYS H H 1 8.681 0.001 . 1 . . . A 23 CYS H . 17956 1 144 . 1 1 23 23 CYS HA H 1 4.835 0.004 . 1 . . . A 23 CYS HA . 17956 1 145 . 1 1 23 23 CYS HB2 H 1 2.710 0.003 . 2 . . . A 23 CYS HB2 . 17956 1 146 . 1 1 23 23 CYS HB3 H 1 2.370 0.003 . 2 . . . A 23 CYS HB3 . 17956 1 147 . 1 1 24 24 LYS H H 1 8.097 0.002 . 1 . . . A 24 LYS H . 17956 1 148 . 1 1 24 24 LYS HA H 1 4.229 0.003 . 1 . . . A 24 LYS HA . 17956 1 149 . 1 1 24 24 LYS HB2 H 1 1.397 0.003 . 2 . . . A 24 LYS HB2 . 17956 1 150 . 1 1 24 24 LYS HB3 H 1 1.577 0.001 . 2 . . . A 24 LYS HB3 . 17956 1 151 . 1 1 24 24 LYS HG2 H 1 2.195 0.003 . 2 . . . A 24 LYS HG2 . 17956 1 152 . 1 1 24 24 LYS HG3 H 1 2.195 0.003 . 2 . . . A 24 LYS HG3 . 17956 1 153 . 1 1 25 25 GLY H H 1 8.754 0.003 . 1 . . . A 25 GLY H . 17956 1 154 . 1 1 25 25 GLY HA2 H 1 3.827 0.003 . 2 . . . A 25 GLY HA2 . 17956 1 155 . 1 1 25 25 GLY HA3 H 1 3.827 0.003 . 2 . . . A 25 GLY HA3 . 17956 1 156 . 1 1 26 26 ASN H H 1 7.741 0.001 . 1 . . . A 26 ASN H . 17956 1 157 . 1 1 26 26 ASN HA H 1 4.598 0.001 . 1 . . . A 26 ASN HA . 17956 1 158 . 1 1 26 26 ASN HB2 H 1 3.216 0.002 . 2 . . . A 26 ASN HB2 . 17956 1 159 . 1 1 26 26 ASN HB3 H 1 2.763 0.007 . 2 . . . A 26 ASN HB3 . 17956 1 160 . 1 1 26 26 ASN HD21 H 1 7.398 0.002 . 2 . . . A 26 ASN HD21 . 17956 1 161 . 1 1 26 26 ASN HD22 H 1 6.590 0.003 . 2 . . . A 26 ASN HD22 . 17956 1 162 . 1 1 27 27 GLY H H 1 8.334 0.003 . 1 . . . A 27 GLY H . 17956 1 163 . 1 1 27 27 GLY HA2 H 1 3.886 0.011 . 2 . . . A 27 GLY HA2 . 17956 1 164 . 1 1 27 27 GLY HA3 H 1 3.583 0.005 . 2 . . . A 27 GLY HA3 . 17956 1 165 . 1 1 28 28 TYR H H 1 7.196 0.003 . 1 . . . A 28 TYR H . 17956 1 166 . 1 1 28 28 TYR HA H 1 5.152 0.002 . 1 . . . A 28 TYR HA . 17956 1 167 . 1 1 28 28 TYR HB2 H 1 2.545 0.012 . 2 . . . A 28 TYR HB2 . 17956 1 168 . 1 1 28 28 TYR HB3 H 1 3.002 0.011 . 2 . . . A 28 TYR HB3 . 17956 1 169 . 1 1 28 28 TYR HD1 H 1 6.792 0.002 . 3 . . . A 28 TYR HD1 . 17956 1 170 . 1 1 28 28 TYR HD2 H 1 6.792 0.002 . 3 . . . A 28 TYR HD2 . 17956 1 171 . 1 1 28 28 TYR HE1 H 1 6.600 0.003 . 3 . . . A 28 TYR HE1 . 17956 1 172 . 1 1 28 28 TYR HE2 H 1 6.600 0.003 . 3 . . . A 28 TYR HE2 . 17956 1 173 . 1 1 29 29 CYS H H 1 8.640 0.004 . 1 . . . A 29 CYS H . 17956 1 174 . 1 1 29 29 CYS HA H 1 5.266 0.005 . 1 . . . A 29 CYS HA . 17956 1 175 . 1 1 29 29 CYS HB2 H 1 2.717 0.003 . 2 . . . A 29 CYS HB2 . 17956 1 176 . 1 1 29 29 CYS HB3 H 1 2.901 0.003 . 2 . . . A 29 CYS HB3 . 17956 1 177 . 1 1 30 30 GLY H H 1 9.691 0.002 . 1 . . . A 30 GLY H . 17956 1 178 . 1 1 30 30 GLY HA2 H 1 4.127 0.003 . 2 . . . A 30 GLY HA2 . 17956 1 179 . 1 1 30 30 GLY HA3 H 1 3.638 0.003 . 2 . . . A 30 GLY HA3 . 17956 1 stop_ save_