################################### # 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 16633 _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 DQF-COSY' . . . 16633 1 2 '2D 1H-1H TOCSY' . . . 16633 1 3 '2D 1H-1H NOESY' . . . 16633 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 4 $XEASY . . 16633 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 ALA HA H 1 4.128 0.002 . 1 . . . . 1 ALA HA . 16633 1 2 . 1 1 1 1 ALA HB1 H 1 1.495 0.003 . 1 . . . . 1 ALA QB . 16633 1 3 . 1 1 1 1 ALA HB2 H 1 1.495 0.003 . 1 . . . . 1 ALA QB . 16633 1 4 . 1 1 1 1 ALA HB3 H 1 1.495 0.003 . 1 . . . . 1 ALA QB . 16633 1 5 . 1 1 2 2 VAL H H 1 8.506 0.004 . 1 . . . . 2 VAL H . 16633 1 6 . 1 1 2 2 VAL HA H 1 4.174 0.003 . 1 . . . . 2 VAL HA . 16633 1 7 . 1 1 2 2 VAL HB H 1 2.039 0.003 . 1 . . . . 2 VAL HB . 16633 1 8 . 1 1 2 2 VAL HG11 H 1 0.942 0.002 . 2 . . . . 2 VAL QQG . 16633 1 9 . 1 1 2 2 VAL HG12 H 1 0.942 0.002 . 2 . . . . 2 VAL QQG . 16633 1 10 . 1 1 2 2 VAL HG13 H 1 0.942 0.002 . 2 . . . . 2 VAL QQG . 16633 1 11 . 1 1 2 2 VAL HG21 H 1 0.942 0.002 . 2 . . . . 2 VAL QQG . 16633 1 12 . 1 1 2 2 VAL HG22 H 1 0.942 0.002 . 2 . . . . 2 VAL QQG . 16633 1 13 . 1 1 2 2 VAL HG23 H 1 0.942 0.002 . 2 . . . . 2 VAL QQG . 16633 1 14 . 1 1 3 3 ILE H H 1 8.425 0.002 . 1 . . . . 3 ILE H . 16633 1 15 . 1 1 3 3 ILE HA H 1 4.337 0.002 . 1 . . . . 3 ILE HA . 16633 1 16 . 1 1 3 3 ILE HB H 1 1.929 0.002 . 1 . . . . 3 ILE HB . 16633 1 17 . 1 1 3 3 ILE HD11 H 1 0.886 0.003 . 1 . . . . 3 ILE QD1 . 16633 1 18 . 1 1 3 3 ILE HD12 H 1 0.886 0.003 . 1 . . . . 3 ILE QD1 . 16633 1 19 . 1 1 3 3 ILE HD13 H 1 0.886 0.003 . 1 . . . . 3 ILE QD1 . 16633 1 20 . 1 1 3 3 ILE HG12 H 1 1.526 0.003 . 2 . . . . 3 ILE HG12 . 16633 1 21 . 1 1 3 3 ILE HG13 H 1 1.234 0.002 . 2 . . . . 3 ILE HG13 . 16633 1 22 . 1 1 3 3 ILE HG21 H 1 0.981 0.002 . 1 . . . . 3 ILE QG2 . 16633 1 23 . 1 1 3 3 ILE HG22 H 1 0.981 0.002 . 1 . . . . 3 ILE QG2 . 16633 1 24 . 1 1 3 3 ILE HG23 H 1 0.981 0.002 . 1 . . . . 3 ILE QG2 . 16633 1 25 . 1 1 4 4 THR H H 1 8.287 0.002 . 1 . . . . 4 THR H . 16633 1 26 . 1 1 4 4 THR HA H 1 4.414 0.002 . 1 . . . . 4 THR HA . 16633 1 27 . 1 1 4 4 THR HB H 1 4.237 0.002 . 1 . . . . 4 THR HB . 16633 1 28 . 1 1 4 4 THR HG21 H 1 1.232 0.002 . 1 . . . . 4 THR QG2 . 16633 1 29 . 1 1 4 4 THR HG22 H 1 1.232 0.002 . 1 . . . . 4 THR QG2 . 16633 1 30 . 1 1 4 4 THR HG23 H 1 1.232 0.002 . 1 . . . . 4 THR QG2 . 16633 1 31 . 1 1 5 5 GLY H H 1 8.501 0.002 . 1 . . . . 5 GLY H . 16633 1 32 . 1 1 5 5 GLY HA2 H 1 3.939 0.005 . 2 . . . . 5 GLY HA2 . 16633 1 33 . 1 1 5 5 GLY HA3 H 1 4.172 0.003 . 2 . . . . 5 GLY HA3 . 16633 1 34 . 1 1 6 6 ALA H H 1 8.040 0.001 . 1 . . . . 6 ALA H . 16633 1 35 . 1 1 6 6 ALA HA H 1 4.603 0.002 . 1 . . . . 6 ALA HA . 16633 1 36 . 1 1 6 6 ALA HB1 H 1 1.405 0.002 . 1 . . . . 6 ALA QB . 16633 1 37 . 1 1 6 6 ALA HB2 H 1 1.405 0.002 . 1 . . . . 6 ALA QB . 16633 1 38 . 1 1 6 6 ALA HB3 H 1 1.405 0.002 . 1 . . . . 6 ALA QB . 16633 1 39 . 1 1 7 7 CYS H H 1 7.811 0.002 . 1 . . . . 7 CYS H . 16633 1 40 . 1 1 7 7 CYS HA H 1 4.719 0.002 . 1 . . . . 7 CYS HA . 16633 1 41 . 1 1 7 7 CYS HB2 H 1 2.992 0.001 . 2 . . . . 7 CYS QB . 16633 1 42 . 1 1 7 7 CYS HB3 H 1 2.992 0.001 . 2 . . . . 7 CYS QB . 16633 1 43 . 1 1 8 8 ASP H H 1 8.968 0.002 . 1 . . . . 8 ASP H . 16633 1 44 . 1 1 8 8 ASP HA H 1 4.827 0.002 . 1 . . . . 8 ASP HA . 16633 1 45 . 1 1 8 8 ASP HB2 H 1 2.712 0.002 . 2 . . . . 8 ASP HB2 . 16633 1 46 . 1 1 8 8 ASP HB3 H 1 2.463 0.002 . 2 . . . . 8 ASP HB3 . 16633 1 47 . 1 1 9 9 LYS H H 1 7.957 0.001 . 1 . . . . 9 LYS H . 16633 1 48 . 1 1 9 9 LYS HA H 1 5.015 0.003 . 1 . . . . 9 LYS HA . 16633 1 49 . 1 1 9 9 LYS HB2 H 1 1.633 0.002 . 2 . . . . 9 LYS QB . 16633 1 50 . 1 1 9 9 LYS HB3 H 1 1.633 0.002 . 2 . . . . 9 LYS QB . 16633 1 51 . 1 1 9 9 LYS HD2 H 1 1.537 0.002 . 2 . . . . 9 LYS QD . 16633 1 52 . 1 1 9 9 LYS HD3 H 1 1.537 0.002 . 2 . . . . 9 LYS QD . 16633 1 53 . 1 1 9 9 LYS HE2 H 1 2.731 0.002 . 2 . . . . 9 LYS QE . 16633 1 54 . 1 1 9 9 LYS HE3 H 1 2.731 0.002 . 2 . . . . 9 LYS QE . 16633 1 55 . 1 1 9 9 LYS HG2 H 1 1.254 0.002 . 2 . . . . 9 LYS HG2 . 16633 1 56 . 1 1 9 9 LYS HG3 H 1 1.202 0.002 . 2 . . . . 9 LYS HG3 . 16633 1 57 . 1 1 10 10 ASP HA H 1 4.045 0.002 . 1 . . . . 10 ASP HA . 16633 1 58 . 1 1 10 10 ASP HB2 H 1 2.921 0.001 . 2 . . . . 10 ASP HB2 . 16633 1 59 . 1 1 10 10 ASP HB3 H 1 2.846 0.002 . 2 . . . . 10 ASP HB3 . 16633 1 60 . 1 1 11 11 VAL H H 1 8.379 0.002 . 1 . . . . 11 VAL H . 16633 1 61 . 1 1 11 11 VAL HA H 1 4.129 0.002 . 1 . . . . 11 VAL HA . 16633 1 62 . 1 1 11 11 VAL HB H 1 2.276 0.002 . 1 . . . . 11 VAL HB . 16633 1 63 . 1 1 11 11 VAL HG11 H 1 1.003 0.002 . 2 . . . . 11 VAL QG1 . 16633 1 64 . 1 1 11 11 VAL HG12 H 1 1.003 0.002 . 2 . . . . 11 VAL QG1 . 16633 1 65 . 1 1 11 11 VAL HG13 H 1 1.003 0.002 . 2 . . . . 11 VAL QG1 . 16633 1 66 . 1 1 11 11 VAL HG21 H 1 0.982 0.002 . 2 . . . . 11 VAL QG2 . 16633 1 67 . 1 1 11 11 VAL HG22 H 1 0.982 0.002 . 2 . . . . 11 VAL QG2 . 16633 1 68 . 1 1 11 11 VAL HG23 H 1 0.982 0.002 . 2 . . . . 11 VAL QG2 . 16633 1 69 . 1 1 12 12 GLN H H 1 7.920 0.002 . 1 . . . . 12 GLN H . 16633 1 70 . 1 1 12 12 GLN HA H 1 4.297 0.002 . 1 . . . . 12 GLN HA . 16633 1 71 . 1 1 12 12 GLN HB2 H 1 2.422 0.002 . 2 . . . . 12 GLN HB2 . 16633 1 72 . 1 1 12 12 GLN HB3 H 1 2.354 0.001 . 2 . . . . 12 GLN HB3 . 16633 1 73 . 1 1 12 12 GLN HE21 H 1 7.734 0.005 . 2 . . . . 12 GLN HE21 . 16633 1 74 . 1 1 12 12 GLN HE22 H 1 7.368 0.001 . 2 . . . . 12 GLN HE22 . 16633 1 75 . 1 1 12 12 GLN HG2 H 1 2.567 0.001 . 2 . . . . 12 GLN HG2 . 16633 1 76 . 1 1 12 12 GLN HG3 H 1 2.206 0.004 . 2 . . . . 12 GLN HG3 . 16633 1 77 . 1 1 13 13 CYS H H 1 8.239 0.002 . 1 . . . . 13 CYS H . 16633 1 78 . 1 1 13 13 CYS HA H 1 4.920 0.002 . 1 . . . . 13 CYS HA . 16633 1 79 . 1 1 13 13 CYS HB2 H 1 2.681 0.002 . 1 . . . . 13 CYS HB2 . 16633 1 80 . 1 1 13 13 CYS HB3 H 1 3.982 0.002 . 1 . . . . 13 CYS HB3 . 16633 1 81 . 1 1 14 14 GLY H H 1 8.205 0.002 . 1 . . . . 14 GLY H . 16633 1 82 . 1 1 14 14 GLY HA2 H 1 3.805 0.002 . 2 . . . . 14 GLY HA2 . 16633 1 83 . 1 1 14 14 GLY HA3 H 1 4.174 0.002 . 2 . . . . 14 GLY HA3 . 16633 1 84 . 1 1 15 15 SER H H 1 8.527 0.002 . 1 . . . . 15 SER H . 16633 1 85 . 1 1 15 15 SER HA H 1 4.258 0.002 . 1 . . . . 15 SER HA . 16633 1 86 . 1 1 15 15 SER HB2 H 1 3.877 0.002 . 2 . . . . 15 SER QB . 16633 1 87 . 1 1 15 15 SER HB3 H 1 3.877 0.002 . 2 . . . . 15 SER QB . 16633 1 88 . 1 1 16 16 GLY H H 1 9.050 0.002 . 1 . . . . 16 GLY H . 16633 1 89 . 1 1 16 16 GLY HA2 H 1 3.749 0.001 . 2 . . . . 16 GLY HA2 . 16633 1 90 . 1 1 16 16 GLY HA3 H 1 4.288 0.002 . 2 . . . . 16 GLY HA3 . 16633 1 91 . 1 1 17 17 THR H H 1 7.775 0.002 . 1 . . . . 17 THR H . 16633 1 92 . 1 1 17 17 THR HA H 1 5.276 0.002 . 1 . . . . 17 THR HA . 16633 1 93 . 1 1 17 17 THR HB H 1 3.913 0.001 . 1 . . . . 17 THR HB . 16633 1 94 . 1 1 17 17 THR HG21 H 1 0.830 0.003 . 1 . . . . 17 THR QG2 . 16633 1 95 . 1 1 17 17 THR HG22 H 1 0.830 0.003 . 1 . . . . 17 THR QG2 . 16633 1 96 . 1 1 17 17 THR HG23 H 1 0.830 0.003 . 1 . . . . 17 THR QG2 . 16633 1 97 . 1 1 18 18 CYS H H 1 9.614 0.002 . 1 . . . . 18 CYS H . 16633 1 98 . 1 1 18 18 CYS HA H 1 5.074 0.002 . 1 . . . . 18 CYS HA . 16633 1 99 . 1 1 18 18 CYS HB2 H 1 3.467 0.001 . 1 . . . . 18 CYS HB2 . 16633 1 100 . 1 1 18 18 CYS HB3 H 1 2.836 0.002 . 1 . . . . 18 CYS HB3 . 16633 1 101 . 1 1 19 19 CYS H H 1 9.394 0.004 . 1 . . . . 19 CYS H . 16633 1 102 . 1 1 19 19 CYS HA H 1 4.948 0.003 . 1 . . . . 19 CYS HA . 16633 1 103 . 1 1 19 19 CYS HB2 H 1 2.901 0.003 . 1 . . . . 19 CYS HB2 . 16633 1 104 . 1 1 19 19 CYS HB3 H 1 2.798 0.002 . 1 . . . . 19 CYS HB3 . 16633 1 105 . 1 1 20 20 ALA H H 1 8.303 0.002 . 1 . . . . 20 ALA H . 16633 1 106 . 1 1 20 20 ALA HA H 1 4.533 0.002 . 1 . . . . 20 ALA HA . 16633 1 107 . 1 1 20 20 ALA HB1 H 1 1.305 0.001 . 1 . . . . 20 ALA QB . 16633 1 108 . 1 1 20 20 ALA HB2 H 1 1.305 0.001 . 1 . . . . 20 ALA QB . 16633 1 109 . 1 1 20 20 ALA HB3 H 1 1.305 0.001 . 1 . . . . 20 ALA QB . 16633 1 110 . 1 1 21 21 ALA H H 1 7.499 0.002 . 1 . . . . 21 ALA H . 16633 1 111 . 1 1 21 21 ALA HA H 1 4.266 0.002 . 1 . . . . 21 ALA HA . 16633 1 112 . 1 1 21 21 ALA HB1 H 1 1.081 0.002 . 1 . . . . 21 ALA QB . 16633 1 113 . 1 1 21 21 ALA HB2 H 1 1.081 0.002 . 1 . . . . 21 ALA QB . 16633 1 114 . 1 1 21 21 ALA HB3 H 1 1.081 0.002 . 1 . . . . 21 ALA QB . 16633 1 115 . 1 1 22 22 SER H H 1 8.632 0.002 . 1 . . . . 22 SER H . 16633 1 116 . 1 1 22 22 SER HA H 1 4.307 0.001 . 1 . . . . 22 SER HA . 16633 1 117 . 1 1 22 22 SER HB2 H 1 3.620 0.002 . 2 . . . . 22 SER HB2 . 16633 1 118 . 1 1 22 22 SER HB3 H 1 3.200 0.002 . 2 . . . . 22 SER HB3 . 16633 1 119 . 1 1 23 23 ALA H H 1 8.787 0.002 . 1 . . . . 23 ALA H . 16633 1 120 . 1 1 23 23 ALA HA H 1 4.104 0.002 . 1 . . . . 23 ALA HA . 16633 1 121 . 1 1 23 23 ALA HB1 H 1 1.390 0.003 . 1 . . . . 23 ALA QB . 16633 1 122 . 1 1 23 23 ALA HB2 H 1 1.390 0.003 . 1 . . . . 23 ALA QB . 16633 1 123 . 1 1 23 23 ALA HB3 H 1 1.390 0.003 . 1 . . . . 23 ALA QB . 16633 1 124 . 1 1 24 24 TRP H H 1 7.318 0.003 . 1 . . . . 24 TRP H . 16633 1 125 . 1 1 24 24 TRP HA H 1 4.848 0.002 . 1 . . . . 24 TRP HA . 16633 1 126 . 1 1 24 24 TRP HB2 H 1 3.354 0.002 . 2 . . . . 24 TRP HB2 . 16633 1 127 . 1 1 24 24 TRP HB3 H 1 3.323 0.002 . 2 . . . . 24 TRP HB3 . 16633 1 128 . 1 1 24 24 TRP HD1 H 1 7.242 0.002 . 1 . . . . 24 TRP HD1 . 16633 1 129 . 1 1 24 24 TRP HE1 H 1 10.263 0.002 . 1 . . . . 24 TRP HE1 . 16633 1 130 . 1 1 24 24 TRP HE3 H 1 7.670 0.002 . 1 . . . . 24 TRP HE3 . 16633 1 131 . 1 1 24 24 TRP HH2 H 1 7.277 0.005 . 1 . . . . 24 TRP HH2 . 16633 1 132 . 1 1 24 24 TRP HZ2 H 1 7.595 0.002 . 1 . . . . 24 TRP HZ2 . 16633 1 133 . 1 1 24 24 TRP HZ3 H 1 7.243 0.001 . 1 . . . . 24 TRP HZ3 . 16633 1 134 . 1 1 25 25 SER H H 1 7.126 0.003 . 1 . . . . 25 SER H . 16633 1 135 . 1 1 25 25 SER HA H 1 4.548 0.002 . 1 . . . . 25 SER HA . 16633 1 136 . 1 1 25 25 SER HB2 H 1 3.864 0.002 . 2 . . . . 25 SER HB2 . 16633 1 137 . 1 1 25 25 SER HB3 H 1 3.202 0.001 . 2 . . . . 25 SER HB3 . 16633 1 138 . 1 1 26 26 ARG H H 1 8.720 0.005 . 1 . . . . 26 ARG H . 16633 1 139 . 1 1 26 26 ARG HA H 1 4.162 0.002 . 1 . . . . 26 ARG HA . 16633 1 140 . 1 1 26 26 ARG HB2 H 1 1.872 0.002 . 2 . . . . 26 ARG HB2 . 16633 1 141 . 1 1 26 26 ARG HB3 H 1 1.786 0.002 . 2 . . . . 26 ARG HB3 . 16633 1 142 . 1 1 26 26 ARG HD2 H 1 3.199 0.003 . 2 . . . . 26 ARG QD . 16633 1 143 . 1 1 26 26 ARG HD3 H 1 3.199 0.003 . 2 . . . . 26 ARG QD . 16633 1 144 . 1 1 26 26 ARG HE H 1 7.196 0.002 . 1 . . . . 26 ARG HE . 16633 1 145 . 1 1 26 26 ARG HG2 H 1 1.691 0.002 . 2 . . . . 26 ARG HG2 . 16633 1 146 . 1 1 26 26 ARG HG3 H 1 1.665 0.002 . 2 . . . . 26 ARG HG3 . 16633 1 147 . 1 1 27 27 ASN H H 1 8.108 0.001 . 1 . . . . 27 ASN H . 16633 1 148 . 1 1 27 27 ASN HA H 1 4.691 0.002 . 1 . . . . 27 ASN HA . 16633 1 149 . 1 1 27 27 ASN HB2 H 1 2.934 0.002 . 2 . . . . 27 ASN HB2 . 16633 1 150 . 1 1 27 27 ASN HB3 H 1 2.540 0.002 . 2 . . . . 27 ASN HB3 . 16633 1 151 . 1 1 27 27 ASN HD21 H 1 6.970 0.002 . 2 . . . . 27 ASN HD21 . 16633 1 152 . 1 1 27 27 ASN HD22 H 1 7.588 0.001 . 2 . . . . 27 ASN HD22 . 16633 1 153 . 1 1 28 28 ILE H H 1 7.285 0.004 . 1 . . . . 28 ILE H . 16633 1 154 . 1 1 28 28 ILE HA H 1 4.153 0.001 . 1 . . . . 28 ILE HA . 16633 1 155 . 1 1 28 28 ILE HB H 1 1.554 0.004 . 1 . . . . 28 ILE HB . 16633 1 156 . 1 1 28 28 ILE HG12 H 1 1.402 0.005 . 2 . . . . 28 ILE HG12 . 16633 1 157 . 1 1 28 28 ILE HG13 H 1 0.910 0.003 . 2 . . . . 28 ILE HG13 . 16633 1 158 . 1 1 28 28 ILE HG21 H 1 0.694 0.002 . 1 . . . . 28 ILE QG2 . 16633 1 159 . 1 1 28 28 ILE HG22 H 1 0.694 0.002 . 1 . . . . 28 ILE QG2 . 16633 1 160 . 1 1 28 28 ILE HG23 H 1 0.694 0.002 . 1 . . . . 28 ILE QG2 . 16633 1 161 . 1 1 29 29 ARG H H 1 8.058 0.002 . 1 . . . . 29 ARG H . 16633 1 162 . 1 1 29 29 ARG HA H 1 4.761 0.002 . 1 . . . . 29 ARG HA . 16633 1 163 . 1 1 29 29 ARG HB2 H 1 1.814 0.002 . 2 . . . . 29 ARG HB2 . 16633 1 164 . 1 1 29 29 ARG HB3 H 1 1.631 0.004 . 2 . . . . 29 ARG HB3 . 16633 1 165 . 1 1 30 30 PHE H H 1 8.435 0.002 . 1 . . . . 30 PHE H . 16633 1 166 . 1 1 30 30 PHE HA H 1 5.048 0.002 . 1 . . . . 30 PHE HA . 16633 1 167 . 1 1 30 30 PHE HB2 H 1 3.177 0.002 . 2 . . . . 30 PHE HB2 . 16633 1 168 . 1 1 30 30 PHE HB3 H 1 2.601 0.002 . 2 . . . . 30 PHE HB3 . 16633 1 169 . 1 1 30 30 PHE HD1 H 1 7.121 0.003 . 3 . . . . 30 PHE QD . 16633 1 170 . 1 1 30 30 PHE HD2 H 1 7.121 0.003 . 3 . . . . 30 PHE QD . 16633 1 171 . 1 1 30 30 PHE HE1 H 1 7.274 0.002 . 3 . . . . 30 PHE QE . 16633 1 172 . 1 1 30 30 PHE HE2 H 1 7.274 0.002 . 3 . . . . 30 PHE QE . 16633 1 173 . 1 1 30 30 PHE HZ H 1 7.368 0.003 . 1 . . . . 30 PHE HZ . 16633 1 174 . 1 1 31 31 CYS H H 1 8.731 0.002 . 1 . . . . 31 CYS H . 16633 1 175 . 1 1 31 31 CYS HA H 1 5.337 0.002 . 1 . . . . 31 CYS HA . 16633 1 176 . 1 1 31 31 CYS HB2 H 1 2.981 0.002 . 1 . . . . 31 CYS HB2 . 16633 1 177 . 1 1 31 31 CYS HB3 H 1 2.939 0.002 . 1 . . . . 31 CYS HB3 . 16633 1 178 . 1 1 32 32 ILE H H 1 9.190 0.001 . 1 . . . . 32 ILE H . 16633 1 179 . 1 1 32 32 ILE HA H 1 5.040 0.001 . 1 . . . . 32 ILE HA . 16633 1 180 . 1 1 32 32 ILE HB H 1 2.080 0.002 . 1 . . . . 32 ILE HB . 16633 1 181 . 1 1 32 32 ILE HG21 H 1 1.016 0.004 . 1 . . . . 32 ILE QG2 . 16633 1 182 . 1 1 32 32 ILE HG22 H 1 1.016 0.004 . 1 . . . . 32 ILE QG2 . 16633 1 183 . 1 1 32 32 ILE HG23 H 1 1.016 0.004 . 1 . . . . 32 ILE QG2 . 16633 1 184 . 1 1 33 33 PRO HA H 1 4.590 0.002 . 1 . . . . 33 PRO HA . 16633 1 185 . 1 1 33 33 PRO HB2 H 1 2.429 0.002 . 2 . . . . 33 PRO HB2 . 16633 1 186 . 1 1 33 33 PRO HB3 H 1 1.940 0.002 . 2 . . . . 33 PRO HB3 . 16633 1 187 . 1 1 33 33 PRO HD2 H 1 3.910 0.002 . 2 . . . . 33 PRO HD2 . 16633 1 188 . 1 1 33 33 PRO HD3 H 1 3.653 0.002 . 2 . . . . 33 PRO HD3 . 16633 1 189 . 1 1 33 33 PRO HG2 H 1 2.152 0.001 . 2 . . . . 33 PRO QG . 16633 1 190 . 1 1 33 33 PRO HG3 H 1 2.152 0.001 . 2 . . . . 33 PRO QG . 16633 1 191 . 1 1 34 34 LEU H H 1 7.249 0.002 . 1 . . . . 34 LEU H . 16633 1 192 . 1 1 34 34 LEU HA H 1 4.071 0.002 . 1 . . . . 34 LEU HA . 16633 1 193 . 1 1 34 34 LEU HB2 H 1 1.389 0.002 . 2 . . . . 34 LEU HB2 . 16633 1 194 . 1 1 34 34 LEU HB3 H 1 1.423 0.002 . 2 . . . . 34 LEU HB3 . 16633 1 195 . 1 1 34 34 LEU HD11 H 1 0.916 0.003 . 2 . . . . 34 LEU QD1 . 16633 1 196 . 1 1 34 34 LEU HD12 H 1 0.916 0.003 . 2 . . . . 34 LEU QD1 . 16633 1 197 . 1 1 34 34 LEU HD13 H 1 0.916 0.003 . 2 . . . . 34 LEU QD1 . 16633 1 198 . 1 1 34 34 LEU HD21 H 1 0.825 0.002 . 2 . . . . 34 LEU QD2 . 16633 1 199 . 1 1 34 34 LEU HD22 H 1 0.825 0.002 . 2 . . . . 34 LEU QD2 . 16633 1 200 . 1 1 34 34 LEU HD23 H 1 0.825 0.002 . 2 . . . . 34 LEU QD2 . 16633 1 201 . 1 1 35 35 GLY H H 1 8.496 0.001 . 1 . . . . 35 GLY H . 16633 1 202 . 1 1 35 35 GLY HA2 H 1 3.858 0.006 . 2 . . . . 35 GLY HA2 . 16633 1 203 . 1 1 35 35 GLY HA3 H 1 4.034 0.002 . 2 . . . . 35 GLY HA3 . 16633 1 204 . 1 1 36 36 ASN H H 1 8.288 0.002 . 1 . . . . 36 ASN H . 16633 1 205 . 1 1 36 36 ASN HA H 1 4.809 0.007 . 1 . . . . 36 ASN HA . 16633 1 206 . 1 1 36 36 ASN HB2 H 1 2.824 0.002 . 2 . . . . 36 ASN HB2 . 16633 1 207 . 1 1 36 36 ASN HB3 H 1 2.568 0.002 . 2 . . . . 36 ASN HB3 . 16633 1 208 . 1 1 36 36 ASN HD21 H 1 6.966 0.002 . 2 . . . . 36 ASN HD21 . 16633 1 209 . 1 1 36 36 ASN HD22 H 1 7.747 0.002 . 2 . . . . 36 ASN HD22 . 16633 1 210 . 1 1 37 37 SER H H 1 8.534 0.002 . 1 . . . . 37 SER H . 16633 1 211 . 1 1 37 37 SER HA H 1 3.840 0.002 . 1 . . . . 37 SER HA . 16633 1 212 . 1 1 37 37 SER HB2 H 1 3.809 0.003 . 2 . . . . 37 SER HB2 . 16633 1 213 . 1 1 37 37 SER HB3 H 1 3.751 0.001 . 2 . . . . 37 SER HB3 . 16633 1 214 . 1 1 38 38 GLY H H 1 9.473 0.002 . 1 . . . . 38 GLY H . 16633 1 215 . 1 1 38 38 GLY HA2 H 1 3.694 0.001 . 2 . . . . 38 GLY HA2 . 16633 1 216 . 1 1 38 38 GLY HA3 H 1 4.366 0.002 . 2 . . . . 38 GLY HA3 . 16633 1 217 . 1 1 39 39 GLU H H 1 8.056 0.002 . 1 . . . . 39 GLU H . 16633 1 218 . 1 1 39 39 GLU HA H 1 4.425 0.002 . 1 . . . . 39 GLU HA . 16633 1 219 . 1 1 39 39 GLU HB2 H 1 2.190 0.003 . 2 . . . . 39 GLU HB2 . 16633 1 220 . 1 1 39 39 GLU HB3 H 1 2.155 0.004 . 2 . . . . 39 GLU HB3 . 16633 1 221 . 1 1 39 39 GLU HG2 H 1 2.351 0.002 . 2 . . . . 39 GLU HG2 . 16633 1 222 . 1 1 39 39 GLU HG3 H 1 2.263 0.002 . 2 . . . . 39 GLU HG3 . 16633 1 223 . 1 1 40 40 ASP H H 1 8.461 0.002 . 1 . . . . 40 ASP H . 16633 1 224 . 1 1 40 40 ASP HA H 1 4.956 0.002 . 1 . . . . 40 ASP HA . 16633 1 225 . 1 1 40 40 ASP HB2 H 1 2.578 0.002 . 2 . . . . 40 ASP HB2 . 16633 1 226 . 1 1 40 40 ASP HB3 H 1 2.625 0.002 . 2 . . . . 40 ASP HB3 . 16633 1 227 . 1 1 41 41 CYS H H 1 7.968 0.002 . 1 . . . . 41 CYS H . 16633 1 228 . 1 1 41 41 CYS HA H 1 4.542 0.002 . 1 . . . . 41 CYS HA . 16633 1 229 . 1 1 41 41 CYS HB2 H 1 3.412 0.002 . 1 . . . . 41 CYS HB2 . 16633 1 230 . 1 1 41 41 CYS HB3 H 1 3.110 0.002 . 1 . . . . 41 CYS HB3 . 16633 1 231 . 1 1 42 42 HIS H H 1 9.168 0.002 . 1 . . . . 42 HIS H . 16633 1 232 . 1 1 42 42 HIS HA H 1 5.076 0.002 . 1 . . . . 42 HIS HA . 16633 1 233 . 1 1 42 42 HIS HB2 H 1 3.115 0.002 . 2 . . . . 42 HIS HB2 . 16633 1 234 . 1 1 42 42 HIS HB3 H 1 2.988 0.002 . 2 . . . . 42 HIS HB3 . 16633 1 235 . 1 1 42 42 HIS HD2 H 1 7.196 0.002 . 1 . . . . 42 HIS HD2 . 16633 1 236 . 1 1 43 43 PRO HA H 1 3.897 0.002 . 1 . . . . 43 PRO HA . 16633 1 237 . 1 1 43 43 PRO HB2 H 1 1.795 0.002 . 2 . . . . 43 PRO HB2 . 16633 1 238 . 1 1 43 43 PRO HB3 H 1 1.631 0.003 . 2 . . . . 43 PRO HB3 . 16633 1 239 . 1 1 43 43 PRO HD2 H 1 2.658 0.001 . 2 . . . . 43 PRO QD . 16633 1 240 . 1 1 43 43 PRO HD3 H 1 2.658 0.001 . 2 . . . . 43 PRO QD . 16633 1 241 . 1 1 43 43 PRO HG2 H 1 0.747 0.003 . 2 . . . . 43 PRO HG2 . 16633 1 242 . 1 1 43 43 PRO HG3 H 1 1.099 0.002 . 2 . . . . 43 PRO HG3 . 16633 1 243 . 1 1 44 44 ALA H H 1 8.182 0.002 . 1 . . . . 44 ALA H . 16633 1 244 . 1 1 44 44 ALA HA H 1 4.192 0.002 . 1 . . . . 44 ALA HA . 16633 1 245 . 1 1 44 44 ALA HB1 H 1 1.214 0.002 . 1 . . . . 44 ALA QB . 16633 1 246 . 1 1 44 44 ALA HB2 H 1 1.214 0.002 . 1 . . . . 44 ALA QB . 16633 1 247 . 1 1 44 44 ALA HB3 H 1 1.214 0.002 . 1 . . . . 44 ALA QB . 16633 1 248 . 1 1 45 45 SER H H 1 7.509 0.002 . 1 . . . . 45 SER H . 16633 1 249 . 1 1 45 45 SER HA H 1 4.282 0.002 . 1 . . . . 45 SER HA . 16633 1 250 . 1 1 45 45 SER HB2 H 1 3.854 0.002 . 2 . . . . 45 SER HB2 . 16633 1 251 . 1 1 45 45 SER HB3 H 1 3.681 0.002 . 2 . . . . 45 SER HB3 . 16633 1 252 . 1 1 46 46 HIS H H 1 8.745 0.002 . 1 . . . . 46 HIS H . 16633 1 253 . 1 1 46 46 HIS HA H 1 4.154 0.001 . 1 . . . . 46 HIS HA . 16633 1 254 . 1 1 46 46 HIS HB2 H 1 2.724 0.002 . 2 . . . . 46 HIS HB2 . 16633 1 255 . 1 1 46 46 HIS HB3 H 1 2.235 0.003 . 2 . . . . 46 HIS HB3 . 16633 1 256 . 1 1 46 46 HIS HD2 H 1 7.109 0.002 . 1 . . . . 46 HIS HD2 . 16633 1 257 . 1 1 46 46 HIS HE1 H 1 8.524 0.004 . 1 . . . . 46 HIS HE1 . 16633 1 258 . 1 1 47 47 LYS H H 1 8.709 0.002 . 1 . . . . 47 LYS H . 16633 1 259 . 1 1 47 47 LYS HA H 1 4.138 0.002 . 1 . . . . 47 LYS HA . 16633 1 260 . 1 1 47 47 LYS HB2 H 1 1.821 0.002 . 2 . . . . 47 LYS QB . 16633 1 261 . 1 1 47 47 LYS HB3 H 1 1.821 0.002 . 2 . . . . 47 LYS QB . 16633 1 262 . 1 1 48 48 VAL H H 1 8.557 0.002 . 1 . . . . 48 VAL H . 16633 1 263 . 1 1 48 48 VAL HA H 1 4.377 0.002 . 1 . . . . 48 VAL HA . 16633 1 264 . 1 1 48 48 VAL HB H 1 1.987 0.002 . 1 . . . . 48 VAL HB . 16633 1 265 . 1 1 48 48 VAL HG11 H 1 1.037 0.002 . 2 . . . . 48 VAL QG1 . 16633 1 266 . 1 1 48 48 VAL HG12 H 1 1.037 0.002 . 2 . . . . 48 VAL QG1 . 16633 1 267 . 1 1 48 48 VAL HG13 H 1 1.037 0.002 . 2 . . . . 48 VAL QG1 . 16633 1 268 . 1 1 48 48 VAL HG21 H 1 0.974 0.002 . 2 . . . . 48 VAL QG2 . 16633 1 269 . 1 1 48 48 VAL HG22 H 1 0.974 0.002 . 2 . . . . 48 VAL QG2 . 16633 1 270 . 1 1 48 48 VAL HG23 H 1 0.974 0.002 . 2 . . . . 48 VAL QG2 . 16633 1 271 . 1 1 49 49 PRO HA H 1 5.174 0.002 . 1 . . . . 49 PRO HA . 16633 1 272 . 1 1 49 49 PRO HB2 H 1 2.252 0.003 . 1 . . . . 49 PRO HB2 . 16633 1 273 . 1 1 49 49 PRO HB3 H 1 2.125 0.002 . 1 . . . . 49 PRO HB3 . 16633 1 274 . 1 1 49 49 PRO HD2 H 1 3.680 0.002 . 1 . . . . 49 PRO HD2 . 16633 1 275 . 1 1 49 49 PRO HD3 H 1 3.611 0.002 . 1 . . . . 49 PRO HD3 . 16633 1 276 . 1 1 49 49 PRO HG2 H 1 2.197 0.002 . 1 . . . . 49 PRO QG . 16633 1 277 . 1 1 49 49 PRO HG3 H 1 2.197 0.002 . 1 . . . . 49 PRO QG . 16633 1 278 . 1 1 50 50 TYR HA H 1 5.040 0.002 . 1 . . . . 50 TYR HA . 16633 1 279 . 1 1 50 50 TYR HB2 H 1 3.097 0.002 . 2 . . . . 50 TYR HB2 . 16633 1 280 . 1 1 50 50 TYR HB3 H 1 2.951 0.002 . 2 . . . . 50 TYR HB3 . 16633 1 281 . 1 1 50 50 TYR HD1 H 1 6.878 0.001 . 3 . . . . 50 TYR QD . 16633 1 282 . 1 1 50 50 TYR HD2 H 1 6.878 0.001 . 3 . . . . 50 TYR QD . 16633 1 283 . 1 1 50 50 TYR HE1 H 1 6.259 0.002 . 3 . . . . 50 TYR QE . 16633 1 284 . 1 1 50 50 TYR HE2 H 1 6.259 0.002 . 3 . . . . 50 TYR QE . 16633 1 285 . 1 1 51 51 ASP H H 1 9.007 0.002 . 1 . . . . 51 ASP H . 16633 1 286 . 1 1 51 51 ASP HA H 1 4.549 0.003 . 1 . . . . 51 ASP HA . 16633 1 287 . 1 1 51 51 ASP HB2 H 1 2.665 0.002 . 2 . . . . 51 ASP HB2 . 16633 1 288 . 1 1 51 51 ASP HB3 H 1 2.500 0.007 . 2 . . . . 51 ASP HB3 . 16633 1 289 . 1 1 52 52 GLY H H 1 6.455 0.001 . 1 . . . . 52 GLY H . 16633 1 290 . 1 1 52 52 GLY HA2 H 1 2.820 0.003 . 2 . . . . 52 GLY HA2 . 16633 1 291 . 1 1 52 52 GLY HA3 H 1 3.715 0.002 . 2 . . . . 52 GLY HA3 . 16633 1 292 . 1 1 53 53 LYS H H 1 7.965 0.002 . 1 . . . . 53 LYS H . 16633 1 293 . 1 1 53 53 LYS HA H 1 4.582 0.002 . 1 . . . . 53 LYS HA . 16633 1 294 . 1 1 53 53 LYS HB2 H 1 1.615 0.007 . 2 . . . . 53 LYS QB . 16633 1 295 . 1 1 53 53 LYS HB3 H 1 1.615 0.007 . 2 . . . . 53 LYS QB . 16633 1 296 . 1 1 53 53 LYS HD2 H 1 1.561 0.001 . 2 . . . . 53 LYS HD2 . 16633 1 297 . 1 1 53 53 LYS HD3 H 1 1.448 0.002 . 2 . . . . 53 LYS HD3 . 16633 1 298 . 1 1 53 53 LYS HG2 H 1 1.297 0.007 . 2 . . . . 53 LYS QG . 16633 1 299 . 1 1 53 53 LYS HG3 H 1 1.297 0.007 . 2 . . . . 53 LYS QG . 16633 1 300 . 1 1 55 55 LEU H H 1 8.909 0.002 . 1 . . . . 55 LEU H . 16633 1 301 . 1 1 55 55 LEU HA H 1 4.497 0.002 . 1 . . . . 55 LEU HA . 16633 1 302 . 1 1 55 55 LEU HB2 H 1 1.771 0.002 . 2 . . . . 55 LEU HB2 . 16633 1 303 . 1 1 55 55 LEU HB3 H 1 1.573 0.002 . 2 . . . . 55 LEU HB3 . 16633 1 304 . 1 1 55 55 LEU HD11 H 1 0.960 0.002 . 2 . . . . 55 LEU QD1 . 16633 1 305 . 1 1 55 55 LEU HD12 H 1 0.960 0.002 . 2 . . . . 55 LEU QD1 . 16633 1 306 . 1 1 55 55 LEU HD13 H 1 0.960 0.002 . 2 . . . . 55 LEU QD1 . 16633 1 307 . 1 1 55 55 LEU HD21 H 1 0.814 0.002 . 2 . . . . 55 LEU QD2 . 16633 1 308 . 1 1 55 55 LEU HD22 H 1 0.814 0.002 . 2 . . . . 55 LEU QD2 . 16633 1 309 . 1 1 55 55 LEU HD23 H 1 0.814 0.002 . 2 . . . . 55 LEU QD2 . 16633 1 310 . 1 1 56 56 SER H H 1 7.991 0.002 . 1 . . . . 56 SER H . 16633 1 311 . 1 1 56 56 SER HA H 1 4.613 0.002 . 1 . . . . 56 SER HA . 16633 1 312 . 1 1 56 56 SER HB2 H 1 3.957 0.004 . 2 . . . . 56 SER HB2 . 16633 1 313 . 1 1 56 56 SER HB3 H 1 3.883 0.002 . 2 . . . . 56 SER HB3 . 16633 1 314 . 1 1 57 57 SER H H 1 8.408 0.002 . 1 . . . . 57 SER H . 16633 1 315 . 1 1 57 57 SER HA H 1 5.143 0.001 . 1 . . . . 57 SER HA . 16633 1 316 . 1 1 57 57 SER HB2 H 1 3.977 0.002 . 2 . . . . 57 SER HB2 . 16633 1 317 . 1 1 57 57 SER HB3 H 1 3.684 0.002 . 2 . . . . 57 SER HB3 . 16633 1 318 . 1 1 58 58 LEU H H 1 7.732 0.001 . 1 . . . . 58 LEU H . 16633 1 319 . 1 1 58 58 LEU HA H 1 4.667 0.002 . 1 . . . . 58 LEU HA . 16633 1 320 . 1 1 58 58 LEU HB2 H 1 1.490 0.003 . 2 . . . . 58 LEU HB2 . 16633 1 321 . 1 1 58 58 LEU HB3 H 1 1.459 0.002 . 2 . . . . 58 LEU HB3 . 16633 1 322 . 1 1 58 58 LEU HD11 H 1 0.429 0.002 . 1 . . . . 58 LEU QD1 . 16633 1 323 . 1 1 58 58 LEU HD12 H 1 0.429 0.002 . 1 . . . . 58 LEU QD1 . 16633 1 324 . 1 1 58 58 LEU HD13 H 1 0.429 0.002 . 1 . . . . 58 LEU QD1 . 16633 1 325 . 1 1 58 58 LEU HD21 H 1 0.759 0.002 . 1 . . . . 58 LEU QD2 . 16633 1 326 . 1 1 58 58 LEU HD22 H 1 0.759 0.002 . 1 . . . . 58 LEU QD2 . 16633 1 327 . 1 1 58 58 LEU HD23 H 1 0.759 0.002 . 1 . . . . 58 LEU QD2 . 16633 1 328 . 1 1 58 58 LEU HG H 1 1.368 0.002 . 1 . . . . 58 LEU HG . 16633 1 329 . 1 1 59 59 CYS H H 1 8.887 0.002 . 1 . . . . 59 CYS H . 16633 1 330 . 1 1 59 59 CYS HA H 1 4.966 0.002 . 1 . . . . 59 CYS HA . 16633 1 331 . 1 1 59 59 CYS HB2 H 1 3.157 0.002 . 1 . . . . 59 CYS HB2 . 16633 1 332 . 1 1 59 59 CYS HB3 H 1 2.798 0.002 . 1 . . . . 59 CYS HB3 . 16633 1 333 . 1 1 60 60 PRO HA H 1 4.673 0.002 . 1 . . . . 60 PRO HA . 16633 1 334 . 1 1 60 60 PRO HB2 H 1 2.401 0.004 . 2 . . . . 60 PRO HB2 . 16633 1 335 . 1 1 60 60 PRO HB3 H 1 1.898 0.004 . 2 . . . . 60 PRO HB3 . 16633 1 336 . 1 1 60 60 PRO HD2 H 1 3.395 0.002 . 2 . . . . 60 PRO HD2 . 16633 1 337 . 1 1 60 60 PRO HD3 H 1 3.757 0.002 . 2 . . . . 60 PRO HD3 . 16633 1 338 . 1 1 60 60 PRO HG2 H 1 2.101 0.002 . 2 . . . . 60 PRO QG . 16633 1 339 . 1 1 60 60 PRO HG3 H 1 2.101 0.002 . 2 . . . . 60 PRO QG . 16633 1 340 . 1 1 61 61 CYS H H 1 8.485 0.002 . 1 . . . . 61 CYS H . 16633 1 341 . 1 1 61 61 CYS HA H 1 4.381 0.001 . 1 . . . . 61 CYS HA . 16633 1 342 . 1 1 61 61 CYS HB2 H 1 2.518 0.002 . 1 . . . . 61 CYS HB2 . 16633 1 343 . 1 1 61 61 CYS HB3 H 1 2.927 0.004 . 1 . . . . 61 CYS HB3 . 16633 1 344 . 1 1 62 62 LYS H H 1 9.383 0.002 . 1 . . . . 62 LYS H . 16633 1 345 . 1 1 62 62 LYS HA H 1 3.984 0.002 . 1 . . . . 62 LYS HA . 16633 1 346 . 1 1 62 62 LYS HB2 H 1 1.838 0.002 . 2 . . . . 62 LYS HB2 . 16633 1 347 . 1 1 62 62 LYS HD2 H 1 1.664 0.003 . 2 . . . . 62 LYS QD . 16633 1 348 . 1 1 62 62 LYS HD3 H 1 1.664 0.003 . 2 . . . . 62 LYS QD . 16633 1 349 . 1 1 62 62 LYS HE2 H 1 3.009 0.004 . 2 . . . . 62 LYS HE2 . 16633 1 350 . 1 1 62 62 LYS HE3 H 1 2.974 0.006 . 2 . . . . 62 LYS HE3 . 16633 1 351 . 1 1 62 62 LYS HG2 H 1 1.545 0.002 . 2 . . . . 62 LYS HG2 . 16633 1 352 . 1 1 62 62 LYS HG3 H 1 1.334 0.004 . 2 . . . . 62 LYS HG3 . 16633 1 353 . 1 1 62 62 LYS HZ1 H 1 7.494 0.003 . 1 . . . . 62 LYS QZ . 16633 1 354 . 1 1 62 62 LYS HZ2 H 1 7.494 0.003 . 1 . . . . 62 LYS QZ . 16633 1 355 . 1 1 62 62 LYS HZ3 H 1 7.494 0.003 . 1 . . . . 62 LYS QZ . 16633 1 356 . 1 1 63 63 SER H H 1 8.162 0.002 . 1 . . . . 63 SER H . 16633 1 357 . 1 1 63 63 SER HA H 1 4.190 0.002 . 1 . . . . 63 SER HA . 16633 1 358 . 1 1 63 63 SER HB2 H 1 3.868 0.003 . 2 . . . . 63 SER QB . 16633 1 359 . 1 1 63 63 SER HB3 H 1 3.868 0.003 . 2 . . . . 63 SER QB . 16633 1 360 . 1 1 64 64 GLY H H 1 8.790 0.001 . 1 . . . . 64 GLY H . 16633 1 361 . 1 1 64 64 GLY HA2 H 1 3.618 0.002 . 2 . . . . 64 GLY HA2 . 16633 1 362 . 1 1 64 64 GLY HA3 H 1 4.360 0.002 . 2 . . . . 64 GLY HA3 . 16633 1 363 . 1 1 65 65 LEU H H 1 7.983 0.001 . 1 . . . . 65 LEU H . 16633 1 364 . 1 1 65 65 LEU HA H 1 4.847 0.002 . 1 . . . . 65 LEU HA . 16633 1 365 . 1 1 65 65 LEU HB2 H 1 1.980 0.002 . 2 . . . . 65 LEU QB . 16633 1 366 . 1 1 65 65 LEU HB3 H 1 1.980 0.002 . 2 . . . . 65 LEU QB . 16633 1 367 . 1 1 65 65 LEU HD11 H 1 0.877 0.002 . 2 . . . . 65 LEU QD1 . 16633 1 368 . 1 1 65 65 LEU HD12 H 1 0.877 0.002 . 2 . . . . 65 LEU QD1 . 16633 1 369 . 1 1 65 65 LEU HD13 H 1 0.877 0.002 . 2 . . . . 65 LEU QD1 . 16633 1 370 . 1 1 65 65 LEU HD21 H 1 0.769 0.002 . 2 . . . . 65 LEU QD2 . 16633 1 371 . 1 1 65 65 LEU HD22 H 1 0.769 0.002 . 2 . . . . 65 LEU QD2 . 16633 1 372 . 1 1 65 65 LEU HD23 H 1 0.769 0.002 . 2 . . . . 65 LEU QD2 . 16633 1 373 . 1 1 65 65 LEU HG H 1 1.465 0.003 . 1 . . . . 65 LEU HG . 16633 1 374 . 1 1 66 66 THR H H 1 9.437 0.002 . 1 . . . . 66 THR H . 16633 1 375 . 1 1 66 66 THR HA H 1 4.491 0.002 . 1 . . . . 66 THR HA . 16633 1 376 . 1 1 66 66 THR HB H 1 3.929 0.002 . 1 . . . . 66 THR HB . 16633 1 377 . 1 1 66 66 THR HG21 H 1 1.146 0.002 . 1 . . . . 66 THR QG2 . 16633 1 378 . 1 1 66 66 THR HG22 H 1 1.146 0.002 . 1 . . . . 66 THR QG2 . 16633 1 379 . 1 1 66 66 THR HG23 H 1 1.146 0.002 . 1 . . . . 66 THR QG2 . 16633 1 380 . 1 1 67 67 CYS H H 1 9.029 0.002 . 1 . . . . 67 CYS H . 16633 1 381 . 1 1 67 67 CYS HA H 1 4.883 0.002 . 1 . . . . 67 CYS HA . 16633 1 382 . 1 1 67 67 CYS HB2 H 1 3.199 0.002 . 1 . . . . 67 CYS HB2 . 16633 1 383 . 1 1 67 67 CYS HB3 H 1 2.852 0.002 . 1 . . . . 67 CYS HB3 . 16633 1 384 . 1 1 68 68 SER H H 1 8.635 0.002 . 1 . . . . 68 SER H . 16633 1 385 . 1 1 68 68 SER HA H 1 4.959 0.002 . 1 . . . . 68 SER HA . 16633 1 386 . 1 1 68 68 SER HB2 H 1 3.832 0.002 . 2 . . . . 68 SER HB2 . 16633 1 387 . 1 1 68 68 SER HB3 H 1 3.766 0.002 . 2 . . . . 68 SER HB3 . 16633 1 388 . 1 1 69 69 LYS H H 1 8.707 0.001 . 1 . . . . 69 LYS H . 16633 1 389 . 1 1 69 69 LYS HA H 1 3.558 0.002 . 1 . . . . 69 LYS HA . 16633 1 390 . 1 1 69 69 LYS HB2 H 1 1.245 0.002 . 2 . . . . 69 LYS HB2 . 16633 1 391 . 1 1 69 69 LYS HB3 H 1 1.560 0.001 . 2 . . . . 69 LYS HB3 . 16633 1 392 . 1 1 69 69 LYS HD2 H 1 1.400 0.003 . 2 . . . . 69 LYS QD . 16633 1 393 . 1 1 69 69 LYS HD3 H 1 1.400 0.003 . 2 . . . . 69 LYS QD . 16633 1 394 . 1 1 69 69 LYS HE2 H 1 2.858 0.004 . 2 . . . . 69 LYS HE2 . 16633 1 395 . 1 1 69 69 LYS HE3 H 1 2.823 0.002 . 2 . . . . 69 LYS HE3 . 16633 1 396 . 1 1 69 69 LYS HG2 H 1 1.043 0.004 . 2 . . . . 69 LYS HG2 . 16633 1 397 . 1 1 69 69 LYS HG3 H 1 0.743 0.005 . 2 . . . . 69 LYS HG3 . 16633 1 398 . 1 1 70 70 SER H H 1 8.611 0.002 . 1 . . . . 70 SER H . 16633 1 399 . 1 1 70 70 SER HA H 1 4.465 0.002 . 1 . . . . 70 SER HA . 16633 1 400 . 1 1 70 70 SER HB2 H 1 3.561 0.002 . 2 . . . . 70 SER HB2 . 16633 1 401 . 1 1 70 70 SER HB3 H 1 3.516 0.002 . 2 . . . . 70 SER HB3 . 16633 1 402 . 1 1 71 71 GLY H H 1 8.883 0.002 . 1 . . . . 71 GLY H . 16633 1 403 . 1 1 71 71 GLY HA2 H 1 3.614 0.002 . 2 . . . . 71 GLY HA2 . 16633 1 404 . 1 1 71 71 GLY HA3 H 1 3.982 0.002 . 2 . . . . 71 GLY HA3 . 16633 1 405 . 1 1 72 72 GLU H H 1 8.993 0.002 . 1 . . . . 72 GLU H . 16633 1 406 . 1 1 72 72 GLU HA H 1 4.299 0.003 . 1 . . . . 72 GLU HA . 16633 1 407 . 1 1 72 72 GLU HB2 H 1 2.308 0.002 . 2 . . . . 72 GLU HB2 . 16633 1 408 . 1 1 72 72 GLU HB3 H 1 1.903 0.002 . 2 . . . . 72 GLU HB3 . 16633 1 409 . 1 1 72 72 GLU HG2 H 1 2.378 0.002 . 2 . . . . 72 GLU QG . 16633 1 410 . 1 1 72 72 GLU HG3 H 1 2.378 0.002 . 2 . . . . 72 GLU QG . 16633 1 411 . 1 1 73 73 LYS H H 1 7.664 0.002 . 1 . . . . 73 LYS H . 16633 1 412 . 1 1 73 73 LYS HA H 1 4.680 0.002 . 1 . . . . 73 LYS HA . 16633 1 413 . 1 1 73 73 LYS HB2 H 1 1.874 0.002 . 2 . . . . 73 LYS HB2 . 16633 1 414 . 1 1 73 73 LYS HB3 H 1 1.977 0.002 . 2 . . . . 73 LYS HB3 . 16633 1 415 . 1 1 73 73 LYS HD2 H 1 1.760 0.002 . 2 . . . . 73 LYS HD2 . 16633 1 416 . 1 1 73 73 LYS HD3 H 1 1.733 0.006 . 2 . . . . 73 LYS HD3 . 16633 1 417 . 1 1 73 73 LYS HE2 H 1 3.018 0.004 . 2 . . . . 73 LYS QE . 16633 1 418 . 1 1 73 73 LYS HE3 H 1 3.018 0.004 . 2 . . . . 73 LYS QE . 16633 1 419 . 1 1 73 73 LYS HG2 H 1 1.441 0.002 . 2 . . . . 73 LYS HG2 . 16633 1 420 . 1 1 73 73 LYS HG3 H 1 1.416 0.004 . 2 . . . . 73 LYS HG3 . 16633 1 421 . 1 1 74 74 PHE H H 1 8.358 0.002 . 1 . . . . 74 PHE H . 16633 1 422 . 1 1 74 74 PHE HA H 1 4.855 0.002 . 1 . . . . 74 PHE HA . 16633 1 423 . 1 1 74 74 PHE HB2 H 1 3.057 0.002 . 2 . . . . 74 PHE HB2 . 16633 1 424 . 1 1 74 74 PHE HB3 H 1 2.857 0.002 . 2 . . . . 74 PHE HB3 . 16633 1 425 . 1 1 74 74 PHE HD1 H 1 7.038 0.002 . 3 . . . . 74 PHE QD . 16633 1 426 . 1 1 74 74 PHE HD2 H 1 7.038 0.002 . 3 . . . . 74 PHE QD . 16633 1 427 . 1 1 74 74 PHE HE1 H 1 7.308 0.002 . 3 . . . . 74 PHE QE . 16633 1 428 . 1 1 74 74 PHE HE2 H 1 7.308 0.002 . 3 . . . . 74 PHE QE . 16633 1 429 . 1 1 74 74 PHE HZ H 1 7.260 0.002 . 1 . . . . 74 PHE HZ . 16633 1 430 . 1 1 75 75 LYS H H 1 8.942 0.002 . 1 . . . . 75 LYS H . 16633 1 431 . 1 1 75 75 LYS HA H 1 5.226 0.002 . 1 . . . . 75 LYS HA . 16633 1 432 . 1 1 75 75 LYS HB2 H 1 1.518 0.002 . 2 . . . . 75 LYS HB2 . 16633 1 433 . 1 1 75 75 LYS HB3 H 1 1.470 0.003 . 2 . . . . 75 LYS HB3 . 16633 1 434 . 1 1 75 75 LYS HG2 H 1 1.326 0.002 . 2 . . . . 75 LYS HG2 . 16633 1 435 . 1 1 75 75 LYS HG3 H 1 1.226 0.002 . 2 . . . . 75 LYS HG3 . 16633 1 436 . 1 1 76 76 CYS H H 1 8.987 0.002 . 1 . . . . 76 CYS H . 16633 1 437 . 1 1 76 76 CYS HA H 1 5.035 0.002 . 1 . . . . 76 CYS HA . 16633 1 438 . 1 1 76 76 CYS HB2 H 1 3.186 0.002 . 1 . . . . 76 CYS HB2 . 16633 1 439 . 1 1 76 76 CYS HB3 H 1 2.631 0.005 . 1 . . . . 76 CYS HB3 . 16633 1 440 . 1 1 77 77 SER H H 1 9.447 0.002 . 1 . . . . 77 SER H . 16633 1 441 . 1 1 77 77 SER HA H 1 4.493 0.001 . 1 . . . . 77 SER HA . 16633 1 442 . 1 1 77 77 SER HB2 H 1 3.949 0.004 . 2 . . . . 77 SER HB2 . 16633 1 443 . 1 1 77 77 SER HB3 H 1 3.904 0.004 . 2 . . . . 77 SER HB3 . 16633 1 stop_ save_