################################### # 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 16028 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $cd3oh_298 _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 2 '2D 1H-1H TOCSY' . . . 16028 1 3 '2D 1H-1H NOESY' . . . 16028 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $Felix . . 16028 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 1 1 FME H H 1 8.599 0.020 . 1 . . . . 1 FME H . 16028 1 2 . 1 1 1 1 FME HA H 1 4.431 0.020 . 1 . . . . 1 FME HA . 16028 1 3 . 1 1 1 1 FME HB2 H 1 2.096 0.020 . 2 . . . . 1 FME HB2 . 16028 1 4 . 1 1 1 1 FME HB3 H 1 2.096 0.020 . 2 . . . . 1 FME HB3 . 16028 1 5 . 1 1 1 1 FME HCN H 1 8.182 0.020 . 1 . . . . 1 FME HCN . 16028 1 6 . 1 1 1 1 FME HG2 H 1 2.636 0.020 . 2 . . . . 1 FME HG2 . 16028 1 7 . 1 1 1 1 FME HG3 H 1 2.581 0.020 . 2 . . . . 1 FME HG3 . 16028 1 8 . 1 1 2 2 ALA H H 1 8.718 0.020 . 1 . . . . 2 ALA H . 16028 1 9 . 1 1 2 2 ALA HA H 1 4.102 0.020 . 1 . . . . 2 ALA HA . 16028 1 10 . 1 1 2 2 ALA HB1 H 1 1.460 0.020 . 1 . . . . 2 ALA HB . 16028 1 11 . 1 1 2 2 ALA HB2 H 1 1.460 0.020 . 1 . . . . 2 ALA HB . 16028 1 12 . 1 1 2 2 ALA HB3 H 1 1.460 0.020 . 1 . . . . 2 ALA HB . 16028 1 13 . 1 1 3 3 GLN H H 1 8.479 0.020 . 1 . . . . 3 GLN H . 16028 1 14 . 1 1 3 3 GLN HA H 1 4.027 0.020 . 1 . . . . 3 GLN HA . 16028 1 15 . 1 1 3 3 GLN HB2 H 1 2.085 0.020 . 2 . . . . 3 GLN HB2 . 16028 1 16 . 1 1 3 3 GLN HB3 H 1 2.171 0.020 . 2 . . . . 3 GLN HB3 . 16028 1 17 . 1 1 3 3 GLN HG2 H 1 2.369 0.020 . 2 . . . . 3 GLN HG2 . 16028 1 18 . 1 1 3 3 GLN HG3 H 1 2.451 0.020 . 2 . . . . 3 GLN HG3 . 16028 1 19 . 1 1 4 4 ASP H H 1 8.203 0.020 . 1 . . . . 4 ASP H . 16028 1 20 . 1 1 4 4 ASP HA H 1 4.510 0.020 . 1 . . . . 4 ASP HA . 16028 1 21 . 1 1 4 4 ASP HB2 H 1 2.919 0.020 . 2 . . . . 4 ASP HB2 . 16028 1 22 . 1 1 4 4 ASP HB3 H 1 3.084 0.020 . 2 . . . . 4 ASP HB3 . 16028 1 23 . 1 1 5 5 ILE H H 1 8.199 0.020 . 1 . . . . 5 ILE H . 16028 1 24 . 1 1 5 5 ILE HA H 1 3.805 0.020 . 1 . . . . 5 ILE HA . 16028 1 25 . 1 1 5 5 ILE HB H 1 2.051 0.020 . 1 . . . . 5 ILE HB . 16028 1 26 . 1 1 5 5 ILE HD11 H 1 0.911 0.020 . 1 . . . . 5 ILE HD1 . 16028 1 27 . 1 1 5 5 ILE HD12 H 1 0.911 0.020 . 1 . . . . 5 ILE HD1 . 16028 1 28 . 1 1 5 5 ILE HD13 H 1 0.911 0.020 . 1 . . . . 5 ILE HD1 . 16028 1 29 . 1 1 5 5 ILE HG12 H 1 1.203 0.020 . 2 . . . . 5 ILE HG12 . 16028 1 30 . 1 1 5 5 ILE HG13 H 1 1.808 0.020 . 2 . . . . 5 ILE HG13 . 16028 1 31 . 1 1 5 5 ILE HG21 H 1 0.964 0.020 . 1 . . . . 5 ILE HG2 . 16028 1 32 . 1 1 5 5 ILE HG22 H 1 0.964 0.020 . 1 . . . . 5 ILE HG2 . 16028 1 33 . 1 1 5 5 ILE HG23 H 1 0.964 0.020 . 1 . . . . 5 ILE HG2 . 16028 1 34 . 1 1 6 6 ILE H H 1 8.155 0.020 . 1 . . . . 6 ILE H . 16028 1 35 . 1 1 6 6 ILE HA H 1 3.713 0.020 . 1 . . . . 6 ILE HA . 16028 1 36 . 1 1 6 6 ILE HB H 1 1.981 0.020 . 1 . . . . 6 ILE HB . 16028 1 37 . 1 1 6 6 ILE HD11 H 1 0.879 0.020 . 1 . . . . 6 ILE HD1 . 16028 1 38 . 1 1 6 6 ILE HD12 H 1 0.879 0.020 . 1 . . . . 6 ILE HD1 . 16028 1 39 . 1 1 6 6 ILE HD13 H 1 0.879 0.020 . 1 . . . . 6 ILE HD1 . 16028 1 40 . 1 1 6 6 ILE HG12 H 1 1.251 0.020 . 2 . . . . 6 ILE HG12 . 16028 1 41 . 1 1 6 6 ILE HG13 H 1 1.754 0.020 . 2 . . . . 6 ILE HG13 . 16028 1 42 . 1 1 6 6 ILE HG21 H 1 0.963 0.020 . 1 . . . . 6 ILE HG2 . 16028 1 43 . 1 1 6 6 ILE HG22 H 1 0.963 0.020 . 1 . . . . 6 ILE HG2 . 16028 1 44 . 1 1 6 6 ILE HG23 H 1 0.963 0.020 . 1 . . . . 6 ILE HG2 . 16028 1 45 . 1 1 7 7 SER H H 1 8.340 0.020 . 1 . . . . 7 SER H . 16028 1 46 . 1 1 7 7 SER HA H 1 4.193 0.020 . 1 . . . . 7 SER HA . 16028 1 47 . 1 1 7 7 SER HB2 H 1 3.914 0.020 . 2 . . . . 7 SER HB2 . 16028 1 48 . 1 1 7 7 SER HB3 H 1 4.058 0.020 . 2 . . . . 7 SER HB3 . 16028 1 49 . 1 1 8 8 THR H H 1 7.984 0.020 . 1 . . . . 8 THR H . 16028 1 50 . 1 1 8 8 THR HA H 1 3.976 0.020 . 1 . . . . 8 THR HA . 16028 1 51 . 1 1 8 8 THR HB H 1 4.376 0.020 . 1 . . . . 8 THR HB . 16028 1 52 . 1 1 8 8 THR HG21 H 1 1.244 0.020 . 1 . . . . 8 THR HG2 . 16028 1 53 . 1 1 8 8 THR HG22 H 1 1.244 0.020 . 1 . . . . 8 THR HG2 . 16028 1 54 . 1 1 8 8 THR HG23 H 1 1.244 0.020 . 1 . . . . 8 THR HG2 . 16028 1 55 . 1 1 9 9 ILE H H 1 8.308 0.020 . 1 . . . . 9 ILE H . 16028 1 56 . 1 1 9 9 ILE HA H 1 3.751 0.020 . 1 . . . . 9 ILE HA . 16028 1 57 . 1 1 9 9 ILE HB H 1 2.037 0.020 . 1 . . . . 9 ILE HB . 16028 1 58 . 1 1 9 9 ILE HD11 H 1 0.865 0.020 . 1 . . . . 9 ILE HD1 . 16028 1 59 . 1 1 9 9 ILE HD12 H 1 0.865 0.020 . 1 . . . . 9 ILE HD1 . 16028 1 60 . 1 1 9 9 ILE HD13 H 1 0.865 0.020 . 1 . . . . 9 ILE HD1 . 16028 1 61 . 1 1 9 9 ILE HG12 H 1 1.210 0.020 . 2 . . . . 9 ILE HG12 . 16028 1 62 . 1 1 9 9 ILE HG13 H 1 1.851 0.020 . 2 . . . . 9 ILE HG13 . 16028 1 63 . 1 1 9 9 ILE HG21 H 1 0.967 0.020 . 1 . . . . 9 ILE HG2 . 16028 1 64 . 1 1 9 9 ILE HG22 H 1 0.967 0.020 . 1 . . . . 9 ILE HG2 . 16028 1 65 . 1 1 9 9 ILE HG23 H 1 0.967 0.020 . 1 . . . . 9 ILE HG2 . 16028 1 66 . 1 1 10 10 GLY H H 1 8.634 0.020 . 1 . . . . 10 GLY H . 16028 1 67 . 1 1 10 10 GLY HA2 H 1 3.754 0.020 . 2 . . . . 10 GLY HA2 . 16028 1 68 . 1 1 10 10 GLY HA3 H 1 3.888 0.020 . 2 . . . . 10 GLY HA3 . 16028 1 69 . 1 1 11 11 ASP H H 1 8.393 0.020 . 1 . . . . 11 ASP H . 16028 1 70 . 1 1 11 11 ASP HA H 1 4.444 0.020 . 1 . . . . 11 ASP HA . 16028 1 71 . 1 1 11 11 ASP HB2 H 1 2.759 0.020 . 2 . . . . 11 ASP HB2 . 16028 1 72 . 1 1 11 11 ASP HB3 H 1 3.204 0.020 . 2 . . . . 11 ASP HB3 . 16028 1 73 . 1 1 12 12 LEU H H 1 8.189 0.020 . 1 . . . . 12 LEU H . 16028 1 74 . 1 1 12 12 LEU HA H 1 4.264 0.020 . 1 . . . . 12 LEU HA . 16028 1 75 . 1 1 12 12 LEU HB2 H 1 1.907 0.020 . 2 . . . . 12 LEU HB2 . 16028 1 76 . 1 1 12 12 LEU HB3 H 1 1.956 0.020 . 2 . . . . 12 LEU HB3 . 16028 1 77 . 1 1 13 13 VAL H H 1 8.579 0.020 . 1 . . . . 13 VAL H . 16028 1 78 . 1 1 13 13 VAL HA H 1 3.632 0.020 . 1 . . . . 13 VAL HA . 16028 1 79 . 1 1 13 13 VAL HB H 1 2.319 0.020 . 1 . . . . 13 VAL HB . 16028 1 80 . 1 1 13 13 VAL HG11 H 1 1.004 0.020 . 1 . . . . 13 VAL HG1 . 16028 1 81 . 1 1 13 13 VAL HG12 H 1 1.004 0.020 . 1 . . . . 13 VAL HG1 . 16028 1 82 . 1 1 13 13 VAL HG13 H 1 1.004 0.020 . 1 . . . . 13 VAL HG1 . 16028 1 83 . 1 1 13 13 VAL HG21 H 1 1.143 0.020 . 1 . . . . 13 VAL HG2 . 16028 1 84 . 1 1 13 13 VAL HG22 H 1 1.143 0.020 . 1 . . . . 13 VAL HG2 . 16028 1 85 . 1 1 13 13 VAL HG23 H 1 1.143 0.020 . 1 . . . . 13 VAL HG2 . 16028 1 86 . 1 1 14 14 LYS H H 1 8.223 0.020 . 1 . . . . 14 LYS H . 16028 1 87 . 1 1 14 14 LYS HA H 1 3.913 0.020 . 1 . . . . 14 LYS HA . 16028 1 88 . 1 1 14 14 LYS HB2 H 1 2.001 0.020 . 2 . . . . 14 LYS HB2 . 16028 1 89 . 1 1 14 14 LYS HB3 H 1 2.024 0.020 . 2 . . . . 14 LYS HB3 . 16028 1 90 . 1 1 14 14 LYS HD2 H 1 1.720 0.020 . 2 . . . . 14 LYS HD2 . 16028 1 91 . 1 1 14 14 LYS HD3 H 1 1.720 0.020 . 2 . . . . 14 LYS HD3 . 16028 1 92 . 1 1 14 14 LYS HE2 H 1 2.960 0.020 . 2 . . . . 14 LYS HE2 . 16028 1 93 . 1 1 14 14 LYS HE3 H 1 2.960 0.020 . 1 . . . . 14 LYS HE3 . 16028 1 94 . 1 1 14 14 LYS HG2 H 1 1.466 0.020 . 2 . . . . 14 LYS HG2 . 16028 1 95 . 1 1 14 14 LYS HG3 H 1 1.466 0.020 . 2 . . . . 14 LYS HG3 . 16028 1 96 . 1 1 14 14 LYS HZ1 H 1 7.764 0.020 . 1 . . . . 14 LYS HZ . 16028 1 97 . 1 1 14 14 LYS HZ2 H 1 7.764 0.020 . 1 . . . . 14 LYS HZ . 16028 1 98 . 1 1 14 14 LYS HZ3 H 1 7.764 0.020 . 1 . . . . 14 LYS HZ . 16028 1 99 . 1 1 15 15 TRP H H 1 8.434 0.020 . 1 . . . . 15 TRP H . 16028 1 100 . 1 1 15 15 TRP HA H 1 4.335 0.020 . 1 . . . . 15 TRP HA . 16028 1 101 . 1 1 15 15 TRP HB2 H 1 3.441 0.020 . 2 . . . . 15 TRP HB2 . 16028 1 102 . 1 1 15 15 TRP HB3 H 1 3.633 0.020 . 2 . . . . 15 TRP HB3 . 16028 1 103 . 1 1 15 15 TRP HD1 H 1 7.106 0.020 . 1 . . . . 15 TRP HD1 . 16028 1 104 . 1 1 15 15 TRP HE1 H 1 10.233 0.020 . 1 . . . . 15 TRP HE1 . 16028 1 105 . 1 1 15 15 TRP HE3 H 1 7.547 0.020 . 1 . . . . 15 TRP HE3 . 16028 1 106 . 1 1 15 15 TRP HH2 H 1 7.099 0.020 . 1 . . . . 15 TRP HH2 . 16028 1 107 . 1 1 15 15 TRP HZ2 H 1 7.342 0.020 . 1 . . . . 15 TRP HZ2 . 16028 1 108 . 1 1 15 15 TRP HZ3 H 1 6.985 0.020 . 1 . . . . 15 TRP HZ3 . 16028 1 109 . 1 1 16 16 ILE H H 1 8.743 0.020 . 1 . . . . 16 ILE H . 16028 1 110 . 1 1 16 16 ILE HA H 1 3.542 0.020 . 1 . . . . 16 ILE HA . 16028 1 111 . 1 1 16 16 ILE HB H 1 2.181 0.020 . 1 . . . . 16 ILE HB . 16028 1 112 . 1 1 16 16 ILE HG12 H 1 1.220 0.020 . 2 . . . . 16 ILE HG12 . 16028 1 113 . 1 1 16 16 ILE HG13 H 1 1.220 0.020 . 2 . . . . 16 ILE HG13 . 16028 1 114 . 1 1 16 16 ILE HG21 H 1 0.948 0.020 . 1 . . . . 16 ILE HG2 . 16028 1 115 . 1 1 16 16 ILE HG22 H 1 0.948 0.020 . 1 . . . . 16 ILE HG2 . 16028 1 116 . 1 1 16 16 ILE HG23 H 1 0.948 0.020 . 1 . . . . 16 ILE HG2 . 16028 1 117 . 1 1 17 17 ILE H H 1 8.575 0.020 . 1 . . . . 17 ILE H . 16028 1 118 . 1 1 17 17 ILE HA H 1 3.590 0.020 . 1 . . . . 17 ILE HA . 16028 1 119 . 1 1 17 17 ILE HB H 1 1.982 0.020 . 1 . . . . 17 ILE HB . 16028 1 120 . 1 1 17 17 ILE HD11 H 1 0.851 0.020 . 1 . . . . 17 ILE HD1 . 16028 1 121 . 1 1 17 17 ILE HD12 H 1 0.851 0.020 . 1 . . . . 17 ILE HD1 . 16028 1 122 . 1 1 17 17 ILE HD13 H 1 0.851 0.020 . 1 . . . . 17 ILE HD1 . 16028 1 123 . 1 1 17 17 ILE HG12 H 1 1.196 0.020 . 2 . . . . 17 ILE HG12 . 16028 1 124 . 1 1 17 17 ILE HG13 H 1 1.856 0.020 . 2 . . . . 17 ILE HG13 . 16028 1 125 . 1 1 17 17 ILE HG21 H 1 0.950 0.020 . 1 . . . . 17 ILE HG2 . 16028 1 126 . 1 1 17 17 ILE HG22 H 1 0.950 0.020 . 1 . . . . 17 ILE HG2 . 16028 1 127 . 1 1 17 17 ILE HG23 H 1 0.950 0.020 . 1 . . . . 17 ILE HG2 . 16028 1 128 . 1 1 18 18 ASP H H 1 8.780 0.020 . 1 . . . . 18 ASP H . 16028 1 129 . 1 1 18 18 ASP HA H 1 4.394 0.020 . 1 . . . . 18 ASP HA . 16028 1 130 . 1 1 18 18 ASP HB2 H 1 2.709 0.020 . 2 . . . . 18 ASP HB2 . 16028 1 131 . 1 1 18 18 ASP HB3 H 1 3.037 0.020 . 2 . . . . 18 ASP HB3 . 16028 1 132 . 1 1 19 19 THR H H 1 8.103 0.020 . 1 . . . . 19 THR H . 16028 1 133 . 1 1 19 19 THR HA H 1 3.732 0.020 . 1 . . . . 19 THR HA . 16028 1 134 . 1 1 19 19 THR HB H 1 4.096 0.020 . 1 . . . . 19 THR HB . 16028 1 135 . 1 1 19 19 THR HG21 H 1 1.015 0.020 . 1 . . . . 19 THR HG2 . 16028 1 136 . 1 1 19 19 THR HG22 H 1 1.015 0.020 . 1 . . . . 19 THR HG2 . 16028 1 137 . 1 1 19 19 THR HG23 H 1 1.015 0.020 . 1 . . . . 19 THR HG2 . 16028 1 138 . 1 1 20 20 VAL H H 1 8.486 0.020 . 1 . . . . 20 VAL H . 16028 1 139 . 1 1 20 20 VAL HA H 1 3.696 0.020 . 1 . . . . 20 VAL HA . 16028 1 140 . 1 1 20 20 VAL HB H 1 2.210 0.020 . 1 . . . . 20 VAL HB . 16028 1 141 . 1 1 20 20 VAL HG11 H 1 0.977 0.020 . 1 . . . . 20 VAL HG1 . 16028 1 142 . 1 1 20 20 VAL HG12 H 1 0.977 0.020 . 1 . . . . 20 VAL HG1 . 16028 1 143 . 1 1 20 20 VAL HG13 H 1 0.977 0.020 . 1 . . . . 20 VAL HG1 . 16028 1 144 . 1 1 20 20 VAL HG21 H 1 1.077 0.020 . 1 . . . . 20 VAL HG2 . 16028 1 145 . 1 1 20 20 VAL HG22 H 1 1.077 0.020 . 1 . . . . 20 VAL HG2 . 16028 1 146 . 1 1 20 20 VAL HG23 H 1 1.077 0.020 . 1 . . . . 20 VAL HG2 . 16028 1 147 . 1 1 21 21 ASN H H 1 8.367 0.020 . 1 . . . . 21 ASN H . 16028 1 148 . 1 1 21 21 ASN HA H 1 4.533 0.020 . 1 . . . . 21 ASN HA . 16028 1 149 . 1 1 21 21 ASN HB2 H 1 2.748 0.020 . 2 . . . . 21 ASN HB2 . 16028 1 150 . 1 1 21 21 ASN HB3 H 1 2.897 0.020 . 2 . . . . 21 ASN HB3 . 16028 1 151 . 1 1 21 21 ASN HD21 H 1 7.638 0.020 . 2 . . . . 21 ASN HD21 . 16028 1 152 . 1 1 21 21 ASN HD22 H 1 6.965 0.020 . 2 . . . . 21 ASN HD22 . 16028 1 153 . 1 1 22 22 LYS H H 1 7.970 0.020 . 1 . . . . 22 LYS H . 16028 1 154 . 1 1 22 22 LYS HA H 1 3.990 0.020 . 1 . . . . 22 LYS HA . 16028 1 155 . 1 1 22 22 LYS HB2 H 1 1.700 0.020 . 2 . . . . 22 LYS HB2 . 16028 1 156 . 1 1 22 22 LYS HB3 H 1 1.830 0.020 . 2 . . . . 22 LYS HB3 . 16028 1 157 . 1 1 22 22 LYS HD2 H 1 1.552 0.020 . 2 . . . . 22 LYS HD2 . 16028 1 158 . 1 1 22 22 LYS HD3 H 1 1.552 0.020 . 2 . . . . 22 LYS HD3 . 16028 1 159 . 1 1 22 22 LYS HE2 H 1 2.807 0.020 . 2 . . . . 22 LYS HE2 . 16028 1 160 . 1 1 22 22 LYS HE3 H 1 2.807 0.020 . 2 . . . . 22 LYS HE3 . 16028 1 161 . 1 1 22 22 LYS HG2 H 1 1.456 0.020 . 2 . . . . 22 LYS HG2 . 16028 1 162 . 1 1 22 22 LYS HG3 H 1 1.456 0.020 . 2 . . . . 22 LYS HG3 . 16028 1 163 . 1 1 22 22 LYS HZ1 H 1 7.760 0.020 . 1 . . . . 22 LYS HZ . 16028 1 164 . 1 1 22 22 LYS HZ2 H 1 7.760 0.020 . 1 . . . . 22 LYS HZ . 16028 1 165 . 1 1 22 22 LYS HZ3 H 1 7.760 0.020 . 1 . . . . 22 LYS HZ . 16028 1 166 . 1 1 23 23 PHE H H 1 7.994 0.020 . 1 . . . . 23 PHE H . 16028 1 167 . 1 1 23 23 PHE HA H 1 4.524 0.020 . 1 . . . . 23 PHE HA . 16028 1 168 . 1 1 23 23 PHE HB2 H 1 3.077 0.020 . 2 . . . . 23 PHE HB2 . 16028 1 169 . 1 1 23 23 PHE HB3 H 1 3.302 0.020 . 2 . . . . 23 PHE HB3 . 16028 1 170 . 1 1 23 23 PHE HD1 H 1 7.378 0.020 . 3 . . . . 23 PHE HD1 . 16028 1 171 . 1 1 23 23 PHE HD2 H 1 7.378 0.020 . 3 . . . . 23 PHE HD2 . 16028 1 172 . 1 1 23 23 PHE HE1 H 1 7.250 0.020 . 3 . . . . 23 PHE HE1 . 16028 1 173 . 1 1 23 23 PHE HE2 H 1 7.250 0.020 . 3 . . . . 23 PHE HE2 . 16028 1 174 . 1 1 23 23 PHE HZ H 1 7.220 0.020 . 1 . . . . 23 PHE HZ . 16028 1 175 . 1 1 24 24 THR H H 1 7.792 0.020 . 1 . . . . 24 THR H . 16028 1 176 . 1 1 24 24 THR HA H 1 4.308 0.020 . 1 . . . . 24 THR HA . 16028 1 177 . 1 1 24 24 THR HB H 1 4.284 0.020 . 1 . . . . 24 THR HB . 16028 1 178 . 1 1 24 24 THR HG21 H 1 1.320 0.020 . 1 . . . . 24 THR HG2 . 16028 1 179 . 1 1 24 24 THR HG22 H 1 1.320 0.020 . 1 . . . . 24 THR HG2 . 16028 1 180 . 1 1 24 24 THR HG23 H 1 1.320 0.020 . 1 . . . . 24 THR HG2 . 16028 1 181 . 1 1 25 25 LYS H H 1 8.108 0.020 . 1 . . . . 25 LYS H . 16028 1 182 . 1 1 25 25 LYS HA H 1 4.253 0.020 . 1 . . . . 25 LYS HA . 16028 1 183 . 1 1 25 25 LYS HB2 H 1 1.902 0.020 . 2 . . . . 25 LYS HB2 . 16028 1 184 . 1 1 25 25 LYS HB3 H 1 1.902 0.020 . 2 . . . . 25 LYS HB3 . 16028 1 185 . 1 1 25 25 LYS HD2 H 1 1.511 0.020 . 2 . . . . 25 LYS HD2 . 16028 1 186 . 1 1 25 25 LYS HD3 H 1 1.681 0.020 . 2 . . . . 25 LYS HD3 . 16028 1 187 . 1 1 25 25 LYS HE2 H 1 2.960 0.020 . 2 . . . . 25 LYS HE2 . 16028 1 188 . 1 1 25 25 LYS HE3 H 1 2.960 0.020 . 2 . . . . 25 LYS HE3 . 16028 1 189 . 1 1 25 25 LYS HG2 H 1 0.943 0.020 . 2 . . . . 25 LYS HG2 . 16028 1 190 . 1 1 25 25 LYS HG3 H 1 0.998 0.020 . 2 . . . . 25 LYS HG3 . 16028 1 191 . 1 1 25 25 LYS HZ1 H 1 7.745 0.020 . 1 . . . . 25 LYS HZ . 16028 1 192 . 1 1 25 25 LYS HZ2 H 1 7.745 0.020 . 1 . . . . 25 LYS HZ . 16028 1 193 . 1 1 25 25 LYS HZ3 H 1 7.745 0.020 . 1 . . . . 25 LYS HZ . 16028 1 194 . 1 1 26 26 LYS H H 1 8.124 0.020 . 1 . . . . 26 LYS H . 16028 1 195 . 1 1 26 26 LYS HA H 1 4.414 0.020 . 1 . . . . 26 LYS HA . 16028 1 196 . 1 1 26 26 LYS HB2 H 1 1.800 0.020 . 2 . . . . 26 LYS HB2 . 16028 1 197 . 1 1 26 26 LYS HB3 H 1 1.948 0.020 . 2 . . . . 26 LYS HB3 . 16028 1 198 . 1 1 26 26 LYS HD2 H 1 1.658 0.020 . 2 . . . . 26 LYS HD2 . 16028 1 199 . 1 1 26 26 LYS HD3 H 1 1.658 0.020 . 2 . . . . 26 LYS HD3 . 16028 1 200 . 1 1 26 26 LYS HE2 H 1 2.957 0.020 . 2 . . . . 26 LYS HE2 . 16028 1 201 . 1 1 26 26 LYS HE3 H 1 2.957 0.020 . 2 . . . . 26 LYS HE3 . 16028 1 202 . 1 1 26 26 LYS HG2 H 1 1.487 0.020 . 2 . . . . 26 LYS HG2 . 16028 1 203 . 1 1 26 26 LYS HG3 H 1 1.487 0.020 . 2 . . . . 26 LYS HG3 . 16028 1 204 . 1 1 26 26 LYS HZ1 H 1 7.668 0.020 . 1 . . . . 26 LYS HZ . 16028 1 205 . 1 1 26 26 LYS HZ2 H 1 7.668 0.020 . 1 . . . . 26 LYS HZ . 16028 1 206 . 1 1 26 26 LYS HZ3 H 1 7.668 0.020 . 1 . . . . 26 LYS HZ . 16028 1 stop_ save_