################################### # 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 30405 _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 $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.01 _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 NOESY' . . . 30405 1 2 '2D 1H-1H TOCSY' . . . 30405 1 3 '2D 1H-13C ECOSY' . . . 30405 1 4 '2D 1H-1H NOESY' . . . 30405 1 5 '2D 1H-1H TOCSY' . . . 30405 1 6 '2D 1H-13C HSQC' . . . 30405 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.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 CYS HA H 1 4.500 0.000 . . . . . . A 1 CYS HA . 30405 1 2 . 1 1 1 1 CYS HB2 H 1 3.181 0.001 . . . . . . A 1 CYS HB2 . 30405 1 3 . 1 1 1 1 CYS HB3 H 1 2.984 0.001 . . . . . . A 1 CYS HB3 . 30405 1 4 . 1 1 2 2 LYS H H 1 9.382 0.000 . . . . . . A 2 LYS H . 30405 1 5 . 1 1 2 2 LYS HA H 1 4.649 0.000 . . . . . . A 2 LYS HA . 30405 1 6 . 1 1 2 2 LYS HB2 H 1 1.835 0.001 . . . . . . A 2 LYS HB2 . 30405 1 7 . 1 1 2 2 LYS HB3 H 1 1.764 0.001 . . . . . . A 2 LYS HB3 . 30405 1 8 . 1 1 2 2 LYS HG2 H 1 1.490 0.001 . . . . . . A 2 LYS HG2 . 30405 1 9 . 1 1 2 2 LYS HG3 H 1 1.377 0.001 . . . . . . A 2 LYS HG3 . 30405 1 10 . 1 1 3 3 PRO HA H 1 4.677 0.000 . . . . . . A 3 PRO HA . 30405 1 11 . 1 1 3 3 PRO HB2 H 1 2.419 0.001 . . . . . . A 3 PRO HB2 . 30405 1 12 . 1 1 3 3 PRO HB3 H 1 1.989 0.001 . . . . . . A 3 PRO HB3 . 30405 1 13 . 1 1 3 3 PRO HG2 H 1 2.163 0.001 . . . . . . A 3 PRO HG2 . 30405 1 14 . 1 1 3 3 PRO HG3 H 1 1.900 0.000 . . . . . . A 3 PRO HG3 . 30405 1 15 . 1 1 3 3 PRO HD2 H 1 3.983 0.001 . . . . . . A 3 PRO HD2 . 30405 1 16 . 1 1 3 3 PRO HD3 H 1 3.730 0.001 . . . . . . A 3 PRO HD3 . 30405 1 17 . 1 1 4 4 HYP HA H 1 3.922 0.001 . . . . . . A 4 HYP HA . 30405 1 18 . 1 1 4 4 HYP HB2 H 1 1.970 0.001 . . . . . . A 4 HYP HB2 . 30405 1 19 . 1 1 4 4 HYP HB3 H 1 1.970 0.001 . . . . . . A 4 HYP HB3 . 30405 1 20 . 1 1 4 4 HYP HD22 H 1 3.670 0.001 . . . . . . A 4 HYP HD22 . 30405 1 21 . 1 1 4 4 HYP HD23 H 1 3.670 0.001 . . . . . . A 4 HYP HD23 . 30405 1 22 . 1 1 4 4 HYP HG H 1 4.360 0.000 . . . . . . A 4 HYP HG . 30405 1 23 . 1 1 5 5 GLY H H 1 8.856 0.000 . . . . . . A 5 GLY H . 30405 1 24 . 1 1 5 5 GLY HA2 H 1 3.581 0.000 . . . . . . A 5 GLY HA2 . 30405 1 25 . 1 1 5 5 GLY HA3 H 1 4.436 0.000 . . . . . . A 5 GLY HA3 . 30405 1 26 . 1 1 6 6 SER H H 1 7.462 0.000 . . . . . . A 6 SER H . 30405 1 27 . 1 1 6 6 SER HA H 1 4.366 0.000 . . . . . . A 6 SER HA . 30405 1 28 . 1 1 6 6 SER HB2 H 1 3.835 0.001 . . . . . . A 6 SER HB2 . 30405 1 29 . 1 1 6 6 SER HB3 H 1 3.693 0.001 . . . . . . A 6 SER HB3 . 30405 1 30 . 1 1 7 7 LYS H H 1 8.634 0.001 . . . . . . A 7 LYS H . 30405 1 31 . 1 1 7 7 LYS HA H 1 4.741 0.000 . . . . . . A 7 LYS HA . 30405 1 32 . 1 1 7 7 LYS HB2 H 1 1.806 0.001 . . . . . . A 7 LYS HB2 . 30405 1 33 . 1 1 7 7 LYS HB3 H 1 1.715 0.001 . . . . . . A 7 LYS HB3 . 30405 1 34 . 1 1 7 7 LYS HG2 H 1 1.599 0.000 . . . . . . A 7 LYS HG2 . 30405 1 35 . 1 1 7 7 LYS HG3 H 1 1.442 0.001 . . . . . . A 7 LYS HG3 . 30405 1 36 . 1 1 8 8 CYS H H 1 8.352 0.000 . . . . . . A 8 CYS H . 30405 1 37 . 1 1 8 8 CYS HA H 1 5.045 0.000 . . . . . . A 8 CYS HA . 30405 1 38 . 1 1 8 8 CYS HB2 H 1 3.244 0.001 . . . . . . A 8 CYS HB2 . 30405 1 39 . 1 1 8 8 CYS HB3 H 1 2.706 0.001 . . . . . . A 8 CYS HB3 . 30405 1 40 . 1 1 9 9 SER H H 1 8.915 0.001 . . . . . . A 9 SER H . 30405 1 41 . 1 1 9 9 SER HA H 1 4.993 0.000 . . . . . . A 9 SER HA . 30405 1 42 . 1 1 9 9 SER HB2 H 1 3.788 0.001 . . . . . . A 9 SER HB2 . 30405 1 43 . 1 1 9 9 SER HB3 H 1 3.705 0.001 . . . . . . A 9 SER HB3 . 30405 1 44 . 1 1 10 10 HYP HA H 1 4.337 0.000 . . . . . . A 10 HYP HA . 30405 1 45 . 1 1 10 10 HYP HB2 H 1 2.343 0.000 . . . . . . A 10 HYP HB2 . 30405 1 46 . 1 1 10 10 HYP HB3 H 1 2.204 0.000 . . . . . . A 10 HYP HB3 . 30405 1 47 . 1 1 10 10 HYP HD22 H 1 4.132 0.000 . . . . . . A 10 HYP HD22 . 30405 1 48 . 1 1 10 10 HYP HD23 H 1 3.659 0.000 . . . . . . A 10 HYP HD23 . 30405 1 49 . 1 1 10 10 HYP HG H 1 4.557 0.000 . . . . . . A 10 HYP HG . 30405 1 50 . 1 1 11 11 SER H H 1 8.256 0.000 . . . . . . A 11 SER H . 30405 1 51 . 1 1 11 11 SER HA H 1 4.211 0.000 . . . . . . A 11 SER HA . 30405 1 52 . 1 1 11 11 SER HB2 H 1 3.886 0.001 . . . . . . A 11 SER HB2 . 30405 1 53 . 1 1 11 11 SER HB3 H 1 3.886 0.001 . . . . . . A 11 SER HB3 . 30405 1 54 . 1 1 12 12 MET H H 1 7.473 0.001 . . . . . . A 12 MET H . 30405 1 55 . 1 1 12 12 MET HA H 1 4.419 0.000 . . . . . . A 12 MET HA . 30405 1 56 . 1 1 12 12 MET HB2 H 1 2.069 0.001 . . . . . . A 12 MET HB2 . 30405 1 57 . 1 1 12 12 MET HB3 H 1 2.069 0.001 . . . . . . A 12 MET HB3 . 30405 1 58 . 1 1 12 12 MET HG2 H 1 2.605 0.001 . . . . . . A 12 MET HG2 . 30405 1 59 . 1 1 12 12 MET HG3 H 1 2.463 0.001 . . . . . . A 12 MET HG3 . 30405 1 60 . 1 1 12 12 MET HE1 H 1 2.088 0.000 . . . . . . A 12 MET HE1 . 30405 1 61 . 1 1 12 12 MET HE2 H 1 2.088 0.000 . . . . . . A 12 MET HE2 . 30405 1 62 . 1 1 12 12 MET HE3 H 1 2.088 0.000 . . . . . . A 12 MET HE3 . 30405 1 63 . 1 1 13 13 ARG H H 1 7.872 0.001 . . . . . . A 13 ARG H . 30405 1 64 . 1 1 13 13 ARG HA H 1 4.211 0.000 . . . . . . A 13 ARG HA . 30405 1 65 . 1 1 13 13 ARG HB2 H 1 2.031 0.001 . . . . . . A 13 ARG HB2 . 30405 1 66 . 1 1 13 13 ARG HB3 H 1 1.782 0.001 . . . . . . A 13 ARG HB3 . 30405 1 67 . 1 1 13 13 ARG HG2 H 1 1.615 0.001 . . . . . . A 13 ARG HG2 . 30405 1 68 . 1 1 13 13 ARG HG3 H 1 1.615 0.001 . . . . . . A 13 ARG HG3 . 30405 1 69 . 1 1 13 13 ARG HD2 H 1 3.217 0.001 . . . . . . A 13 ARG HD2 . 30405 1 70 . 1 1 13 13 ARG HD3 H 1 3.217 0.001 . . . . . . A 13 ARG HD3 . 30405 1 71 . 1 1 13 13 ARG HE H 1 7.160 0.000 . . . . . . A 13 ARG HE . 30405 1 72 . 1 1 14 14 ASP H H 1 8.231 0.001 . . . . . . A 14 ASP H . 30405 1 73 . 1 1 14 14 ASP HA H 1 4.695 0.000 . . . . . . A 14 ASP HA . 30405 1 74 . 1 1 14 14 ASP HB2 H 1 2.990 0.001 . . . . . . A 14 ASP HB2 . 30405 1 75 . 1 1 14 14 ASP HB3 H 1 2.403 0.001 . . . . . . A 14 ASP HB3 . 30405 1 76 . 1 1 15 15 CYS H H 1 8.293 0.001 . . . . . . A 15 CYS H . 30405 1 77 . 1 1 15 15 CYS HA H 1 4.647 0.000 . . . . . . A 15 CYS HA . 30405 1 78 . 1 1 15 15 CYS HB2 H 1 2.840 0.002 . . . . . . A 15 CYS HB2 . 30405 1 79 . 1 1 15 15 CYS HB3 H 1 2.404 0.003 . . . . . . A 15 CYS HB3 . 30405 1 80 . 1 1 16 16 CYS H H 1 9.057 0.001 . . . . . . A 16 CYS H . 30405 1 81 . 1 1 16 16 CYS HA H 1 4.568 0.000 . . . . . . A 16 CYS HA . 30405 1 82 . 1 1 16 16 CYS HB2 H 1 3.309 0.001 . . . . . . A 16 CYS HB2 . 30405 1 83 . 1 1 16 16 CYS HB3 H 1 2.926 0.004 . . . . . . A 16 CYS HB3 . 30405 1 84 . 1 1 17 17 THR H H 1 8.325 0.001 . . . . . . A 17 THR H . 30405 1 85 . 1 1 17 17 THR HA H 1 4.324 0.007 . . . . . . A 17 THR HA . 30405 1 86 . 1 1 17 17 THR HB H 1 4.138 0.001 . . . . . . A 17 THR HB . 30405 1 87 . 1 1 17 17 THR HG21 H 1 0.818 0.001 . . . . . . A 17 THR HG21 . 30405 1 88 . 1 1 17 17 THR HG22 H 1 0.818 0.001 . . . . . . A 17 THR HG22 . 30405 1 89 . 1 1 17 17 THR HG23 H 1 0.818 0.001 . . . . . . A 17 THR HG23 . 30405 1 90 . 1 1 18 18 THR H H 1 9.155 0.000 . . . . . . A 18 THR H . 30405 1 91 . 1 1 18 18 THR HA H 1 4.340 0.000 . . . . . . A 18 THR HA . 30405 1 92 . 1 1 18 18 THR HB H 1 4.062 0.001 . . . . . . A 18 THR HB . 30405 1 93 . 1 1 18 18 THR HG21 H 1 1.015 0.000 . . . . . . A 18 THR HG21 . 30405 1 94 . 1 1 18 18 THR HG22 H 1 1.015 0.000 . . . . . . A 18 THR HG22 . 30405 1 95 . 1 1 18 18 THR HG23 H 1 1.015 0.000 . . . . . . A 18 THR HG23 . 30405 1 96 . 1 1 19 19 CYS H H 1 8.248 0.000 . . . . . . A 19 CYS H . 30405 1 97 . 1 1 19 19 CYS HA H 1 4.659 0.000 . . . . . . A 19 CYS HA . 30405 1 98 . 1 1 19 19 CYS HB2 H 1 3.152 0.001 . . . . . . A 19 CYS HB2 . 30405 1 99 . 1 1 19 19 CYS HB3 H 1 2.804 0.001 . . . . . . A 19 CYS HB3 . 30405 1 100 . 1 1 20 20 ILE H H 1 8.180 0.000 . . . . . . A 20 ILE H . 30405 1 101 . 1 1 20 20 ILE HA H 1 4.084 0.000 . . . . . . A 20 ILE HA . 30405 1 102 . 1 1 20 20 ILE HB H 1 2.328 0.001 . . . . . . A 20 ILE HB . 30405 1 103 . 1 1 20 20 ILE HG12 H 1 1.606 0.001 . . . . . . A 20 ILE HG12 . 30405 1 104 . 1 1 20 20 ILE HG13 H 1 1.232 0.001 . . . . . . A 20 ILE HG13 . 30405 1 105 . 1 1 20 20 ILE HG21 H 1 0.893 0.001 . . . . . . A 20 ILE HG21 . 30405 1 106 . 1 1 20 20 ILE HG22 H 1 0.893 0.001 . . . . . . A 20 ILE HG22 . 30405 1 107 . 1 1 20 20 ILE HG23 H 1 0.893 0.001 . . . . . . A 20 ILE HG23 . 30405 1 108 . 1 1 20 20 ILE HD11 H 1 0.802 0.001 . . . . . . A 20 ILE HD11 . 30405 1 109 . 1 1 20 20 ILE HD12 H 1 0.802 0.001 . . . . . . A 20 ILE HD12 . 30405 1 110 . 1 1 20 20 ILE HD13 H 1 0.802 0.001 . . . . . . A 20 ILE HD13 . 30405 1 111 . 1 1 21 21 SER H H 1 8.802 0.000 . . . . . . A 21 SER H . 30405 1 112 . 1 1 21 21 SER HA H 1 4.011 0.000 . . . . . . A 21 SER HA . 30405 1 113 . 1 1 21 21 SER HB2 H 1 3.903 0.001 . . . . . . A 21 SER HB2 . 30405 1 114 . 1 1 21 21 SER HB3 H 1 3.903 0.001 . . . . . . A 21 SER HB3 . 30405 1 115 . 1 1 22 22 TYR H H 1 7.671 0.005 . . . . . . A 22 TYR H . 30405 1 116 . 1 1 22 22 TYR HA H 1 4.437 0.000 . . . . . . A 22 TYR HA . 30405 1 117 . 1 1 22 22 TYR HB2 H 1 3.206 0.001 . . . . . . A 22 TYR HB2 . 30405 1 118 . 1 1 22 22 TYR HB3 H 1 2.995 0.001 . . . . . . A 22 TYR HB3 . 30405 1 119 . 1 1 22 22 TYR HD1 H 1 7.134 0.001 . . . . . . A 22 TYR HD1 . 30405 1 120 . 1 1 22 22 TYR HD2 H 1 7.134 0.001 . . . . . . A 22 TYR HD2 . 30405 1 121 . 1 1 22 22 TYR HE1 H 1 6.867 0.001 . . . . . . A 22 TYR HE1 . 30405 1 122 . 1 1 22 22 TYR HE2 H 1 6.867 0.001 . . . . . . A 22 TYR HE2 . 30405 1 123 . 1 1 23 23 THR H H 1 6.809 0.001 . . . . . . A 23 THR H . 30405 1 124 . 1 1 23 23 THR HA H 1 4.285 0.000 . . . . . . A 23 THR HA . 30405 1 125 . 1 1 23 23 THR HB H 1 4.183 0.001 . . . . . . A 23 THR HB . 30405 1 126 . 1 1 23 23 THR HG21 H 1 1.120 0.001 . . . . . . A 23 THR HG21 . 30405 1 127 . 1 1 23 23 THR HG22 H 1 1.120 0.001 . . . . . . A 23 THR HG22 . 30405 1 128 . 1 1 23 23 THR HG23 H 1 1.120 0.001 . . . . . . A 23 THR HG23 . 30405 1 129 . 1 1 24 24 LYS H H 1 8.589 0.001 . . . . . . A 24 LYS H . 30405 1 130 . 1 1 24 24 LYS HA H 1 3.678 0.000 . . . . . . A 24 LYS HA . 30405 1 131 . 1 1 24 24 LYS HB2 H 1 2.423 0.001 . . . . . . A 24 LYS HB2 . 30405 1 132 . 1 1 24 24 LYS HB3 H 1 2.056 0.001 . . . . . . A 24 LYS HB3 . 30405 1 133 . 1 1 24 24 LYS HG2 H 1 1.465 0.001 . . . . . . A 24 LYS HG2 . 30405 1 134 . 1 1 24 24 LYS HG3 H 1 1.409 0.001 . . . . . . A 24 LYS HG3 . 30405 1 135 . 1 1 25 25 ARG H H 1 7.167 0.001 . . . . . . A 25 ARG H . 30405 1 136 . 1 1 25 25 ARG HA H 1 5.368 0.001 . . . . . . A 25 ARG HA . 30405 1 137 . 1 1 25 25 ARG HB2 H 1 1.483 0.001 . . . . . . A 25 ARG HB2 . 30405 1 138 . 1 1 25 25 ARG HB3 H 1 1.227 0.001 . . . . . . A 25 ARG HB3 . 30405 1 139 . 1 1 25 25 ARG HG2 H 1 1.573 0.001 . . . . . . A 25 ARG HG2 . 30405 1 140 . 1 1 25 25 ARG HG3 H 1 1.467 0.001 . . . . . . A 25 ARG HG3 . 30405 1 141 . 1 1 25 25 ARG HD2 H 1 3.122 0.000 . . . . . . A 25 ARG HD2 . 30405 1 142 . 1 1 25 25 ARG HD3 H 1 2.991 0.000 . . . . . . A 25 ARG HD3 . 30405 1 143 . 1 1 26 26 CYS H H 1 8.583 0.001 . . . . . . A 26 CYS H . 30405 1 144 . 1 1 26 26 CYS HA H 1 4.963 0.000 . . . . . . A 26 CYS HA . 30405 1 145 . 1 1 26 26 CYS HB2 H 1 3.505 0.001 . . . . . . A 26 CYS HB2 . 30405 1 146 . 1 1 26 26 CYS HB3 H 1 2.601 0.001 . . . . . . A 26 CYS HB3 . 30405 1 147 . 1 1 27 27 ARG H H 1 8.919 0.000 . . . . . . A 27 ARG H . 30405 1 148 . 1 1 27 27 ARG HA H 1 4.074 0.000 . . . . . . A 27 ARG HA . 30405 1 149 . 1 1 27 27 ARG HB2 H 1 1.768 0.000 . . . . . . A 27 ARG HB2 . 30405 1 150 . 1 1 27 27 ARG HB3 H 1 1.661 0.000 . . . . . . A 27 ARG HB3 . 30405 1 151 . 1 1 27 27 ARG HG2 H 1 1.781 0.000 . . . . . . A 27 ARG HG2 . 30405 1 152 . 1 1 27 27 ARG HG3 H 1 1.654 0.000 . . . . . . A 27 ARG HG3 . 30405 1 153 . 1 1 27 27 ARG HD2 H 1 3.089 0.000 . . . . . . A 27 ARG HD2 . 30405 1 154 . 1 1 27 27 ARG HD3 H 1 2.987 0.000 . . . . . . A 27 ARG HD3 . 30405 1 155 . 1 1 27 27 ARG HE H 1 7.038 0.000 . . . . . . A 27 ARG HE . 30405 1 156 . 1 1 28 28 LYS H H 1 8.937 0.000 . . . . . . A 28 LYS H . 30405 1 157 . 1 1 28 28 LYS HA H 1 4.183 0.000 . . . . . . A 28 LYS HA . 30405 1 158 . 1 1 28 28 LYS HB2 H 1 1.813 0.000 . . . . . . A 28 LYS HB2 . 30405 1 159 . 1 1 28 28 LYS HB3 H 1 1.718 0.000 . . . . . . A 28 LYS HB3 . 30405 1 160 . 1 1 28 28 LYS HG2 H 1 1.306 0.000 . . . . . . A 28 LYS HG2 . 30405 1 161 . 1 1 28 28 LYS HG3 H 1 1.306 0.000 . . . . . . A 28 LYS HG3 . 30405 1 162 . 1 1 29 29 TYR H H 1 8.433 0.000 . . . . . . A 29 TYR H . 30405 1 163 . 1 1 29 29 TYR HA H 1 4.309 0.000 . . . . . . A 29 TYR HA . 30405 1 164 . 1 1 29 29 TYR HB2 H 1 3.055 0.001 . . . . . . A 29 TYR HB2 . 30405 1 165 . 1 1 29 29 TYR HB3 H 1 2.705 0.001 . . . . . . A 29 TYR HB3 . 30405 1 166 . 1 1 29 29 TYR HD1 H 1 7.145 0.001 . . . . . . A 29 TYR HD1 . 30405 1 167 . 1 1 29 29 TYR HD2 H 1 7.145 0.001 . . . . . . A 29 TYR HD2 . 30405 1 168 . 1 1 29 29 TYR HE1 H 1 6.715 0.001 . . . . . . A 29 TYR HE1 . 30405 1 169 . 1 1 29 29 TYR HE2 H 1 6.715 0.001 . . . . . . A 29 TYR HE2 . 30405 1 170 . 1 1 30 30 TYR H H 1 7.781 0.001 . . . . . . A 30 TYR H . 30405 1 171 . 1 1 30 30 TYR HA H 1 4.322 0.000 . . . . . . A 30 TYR HA . 30405 1 172 . 1 1 30 30 TYR HB2 H 1 3.115 0.001 . . . . . . A 30 TYR HB2 . 30405 1 173 . 1 1 30 30 TYR HB3 H 1 2.872 0.001 . . . . . . A 30 TYR HB3 . 30405 1 174 . 1 1 30 30 TYR HD1 H 1 7.130 0.000 . . . . . . A 30 TYR HD1 . 30405 1 175 . 1 1 30 30 TYR HD2 H 1 7.130 0.000 . . . . . . A 30 TYR HD2 . 30405 1 176 . 1 1 30 30 TYR HE1 H 1 6.777 0.000 . . . . . . A 30 TYR HE1 . 30405 1 stop_ save_