################################### # 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 19638 _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 NOESY . . . 19638 1 2 TOCSY . . . 19638 1 3 DQCOSY . . . 19638 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 GLU HB2 H 1 2.153 0 . . . . . . -4 GLU HB# . 19638 1 2 . 1 1 2 2 GLU HB3 H 1 2.153 0 . . . . . . -4 GLU HB# . 19638 1 3 . 1 1 2 2 GLU HG2 H 1 2.323 0 . . . . . . -4 GLU HG# . 19638 1 4 . 1 1 2 2 GLU HG3 H 1 2.323 0 . . . . . . -4 GLU HG# . 19638 1 5 . 1 1 3 3 PHE H H 1 8.608 0.004 . . . . . A -3 PHE H . 19638 1 6 . 1 1 3 3 PHE HA H 1 4.259 0.004 . . . . . A -3 PHE HA . 19638 1 7 . 1 1 3 3 PHE HB2 H 1 2.929 0.003 . . . . . A -3 PHE HB2 . 19638 1 8 . 1 1 3 3 PHE HB3 H 1 2.579 0.007 . . . . . A -3 PHE HB3 . 19638 1 9 . 1 1 3 3 PHE HD1 H 1 6.926 0.001 . . . . . A -3 PHE HD# . 19638 1 10 . 1 1 3 3 PHE HD2 H 1 6.926 0.001 . . . . . A -3 PHE HD# . 19638 1 11 . 1 1 3 3 PHE HE1 H 1 7.172 0.002 . . . . . A -3 PHE HE# . 19638 1 12 . 1 1 3 3 PHE HE2 H 1 7.172 0.002 . . . . . A -3 PHE HE# . 19638 1 13 . 1 1 3 3 PHE HZ H 1 7.121 0.007 . . . . . A -3 PHE HZ . 19638 1 14 . 1 1 4 4 LYS H H 1 6.577 0.006 . . . . . A -2 LYS H . 19638 1 15 . 1 1 4 4 LYS HA H 1 3.793 0.007 . . . . . A -2 LYS HA . 19638 1 16 . 1 1 4 4 LYS HB2 H 1 1.302 0.001 . . . . . A -2 LYS HB2 . 19638 1 17 . 1 1 4 4 LYS HB3 H 1 1.242 0.001 . . . . . A -2 LYS HB3 . 19638 1 18 . 1 1 4 4 LYS HG2 H 1 1.13 0.006 . . . . . A -2 LYS HG# . 19638 1 19 . 1 1 4 4 LYS HG3 H 1 1.13 0.006 . . . . . A -2 LYS HG# . 19638 1 20 . 1 1 4 4 LYS HD2 H 1 1.384 0.005 . . . . . A -2 LYS HD# . 19638 1 21 . 1 1 4 4 LYS HD3 H 1 1.384 0.005 . . . . . A -2 LYS HD# . 19638 1 22 . 1 1 4 4 LYS HE2 H 1 2.825 0.008 . . . . . A -2 LYS HE2 . 19638 1 23 . 1 1 4 4 LYS HE3 H 1 2.588 0.006 . . . . . A -2 LYS HE3 . 19638 1 24 . 1 1 5 5 ALA H H 1 7.741 0.009 . . . . . A -1 ALA H . 19638 1 25 . 1 1 5 5 ALA HA H 1 3.582 0.015 . . . . . A -1 ALA HA . 19638 1 26 . 1 1 5 5 ALA HB1 H 1 1.245 0.006 . . . . . A -1 ALA HB# . 19638 1 27 . 1 1 5 5 ALA HB2 H 1 1.245 0.006 . . . . . A -1 ALA HB# . 19638 1 28 . 1 1 5 5 ALA HB3 H 1 1.245 0.006 . . . . . A -1 ALA HB# . 19638 1 29 . 1 1 6 6 GLY H H 1 8.107 0.03 . . . . . A 1 GLY H . 19638 1 30 . 1 1 6 6 GLY HA2 H 1 4.312 0.002 . . . . . A 1 GLY HA2 . 19638 1 31 . 1 1 6 6 GLY HA3 H 1 3.387 0.019 . . . . . A 1 GLY HA3 . 19638 1 32 . 1 1 7 7 SER H H 1 9.424 0.003 . . . . . A 2 SER H . 19638 1 33 . 1 1 7 7 SER HB2 H 1 3.812 0.009 . . . . . A 2 SER HB2 . 19638 1 34 . 1 1 7 7 SER HB3 H 1 3.595 0.009 . . . . . A 2 SER HB3 . 19638 1 35 . 1 1 8 8 ALA H H 1 9.092 0.008 . . . . . A 3 ALA H . 19638 1 36 . 1 1 8 8 ALA HA H 1 3.98 0.005 . . . . . A 3 ALA HA . 19638 1 37 . 1 1 8 8 ALA HB1 H 1 1.84 0.006 . . . . . A 3 ALA HB# . 19638 1 38 . 1 1 8 8 ALA HB2 H 1 1.84 0.006 . . . . . A 3 ALA HB# . 19638 1 39 . 1 1 8 8 ALA HB3 H 1 1.84 0.006 . . . . . A 3 ALA HB# . 19638 1 40 . 1 1 9 9 LYS H H 1 8.086 0.003 . . . . . A 4 LYS H . 19638 1 41 . 1 1 9 9 LYS HA H 1 4.273 0.001 . . . . . A 4 LYS HA . 19638 1 42 . 1 1 9 9 LYS HB2 H 1 2 0.006 . . . . . A 4 LYS HB2 . 19638 1 43 . 1 1 9 9 LYS HB3 H 1 1.865 0.007 . . . . . A 4 LYS HB3 . 19638 1 44 . 1 1 10 10 LYS H H 1 7.755 0.003 . . . . . A 5 LYS H . 19638 1 45 . 1 1 10 10 LYS HA H 1 4.05 0.005 . . . . . A 5 LYS HA . 19638 1 46 . 1 1 10 10 LYS HB2 H 1 1.783 0 . . . . . A 5 LYS HB# . 19638 1 47 . 1 1 10 10 LYS HB3 H 1 1.783 0 . . . . . A 5 LYS HB# . 19638 1 48 . 1 1 10 10 LYS HD2 H 1 1.688 0 . . . . . A 5 LYS HD# . 19638 1 49 . 1 1 10 10 LYS HD3 H 1 1.688 0 . . . . . A 5 LYS HD# . 19638 1 50 . 1 1 11 11 GLY H H 1 8.694 0.007 . . . . . A 6 GLY H . 19638 1 51 . 1 1 11 11 GLY HA2 H 1 4.043 0.009 . . . . . A 6 GLY HA2 . 19638 1 52 . 1 1 11 11 GLY HA3 H 1 3.286 0.008 . . . . . A 6 GLY HA3 . 19638 1 53 . 1 1 12 12 ALA H H 1 7.999 0.008 . . . . . A 7 ALA H . 19638 1 54 . 1 1 12 12 ALA HA H 1 2.346 0.007 . . . . . A 7 ALA HA . 19638 1 55 . 1 1 12 12 ALA HB1 H 1 1.207 0.005 . . . . . A 7 ALA HB# . 19638 1 56 . 1 1 12 12 ALA HB2 H 1 1.207 0.005 . . . . . A 7 ALA HB# . 19638 1 57 . 1 1 12 12 ALA HB3 H 1 1.207 0.005 . . . . . A 7 ALA HB# . 19638 1 58 . 1 1 13 13 THR H H 1 7.203 0.005 . . . . . A 8 THR H . 19638 1 59 . 1 1 13 13 THR HA H 1 3.898 0.002 . . . . . A 8 THR HA . 19638 1 60 . 1 1 13 13 THR HB H 1 4.166 0.006 . . . . . A 8 THR HB . 19638 1 61 . 1 1 13 13 THR HG21 H 1 1.222 0.004 . . . . . A 8 THR HG2# . 19638 1 62 . 1 1 13 13 THR HG22 H 1 1.222 0.004 . . . . . A 8 THR HG2# . 19638 1 63 . 1 1 13 13 THR HG23 H 1 1.222 0.004 . . . . . A 8 THR HG2# . 19638 1 64 . 1 1 14 14 LEU H H 1 7.846 0.005 . . . . . A 9 LEU H . 19638 1 65 . 1 1 14 14 LEU HA H 1 3.844 0.007 . . . . . A 9 LEU HA . 19638 1 66 . 1 1 14 14 LEU HB2 H 1 1.838 0.014 . . . . . A 9 LEU HB# . 19638 1 67 . 1 1 14 14 LEU HB3 H 1 1.838 0.014 . . . . . A 9 LEU HB# . 19638 1 68 . 1 1 14 14 LEU HG H 1 1.506 0.002 . . . . . A 9 LEU HG . 19638 1 69 . 1 1 14 14 LEU HD11 H 1 0.627 0.006 . . . . . A 9 LEU HD1# . 19638 1 70 . 1 1 14 14 LEU HD12 H 1 0.627 0.006 . . . . . A 9 LEU HD1# . 19638 1 71 . 1 1 14 14 LEU HD13 H 1 0.627 0.006 . . . . . A 9 LEU HD1# . 19638 1 72 . 1 1 14 14 LEU HD21 H 1 0.833 0.006 . . . . . A 9 LEU HD2# . 19638 1 73 . 1 1 14 14 LEU HD22 H 1 0.833 0.006 . . . . . A 9 LEU HD2# . 19638 1 74 . 1 1 14 14 LEU HD23 H 1 0.833 0.006 . . . . . A 9 LEU HD2# . 19638 1 75 . 1 1 15 15 PHE H H 1 8.651 0.009 . . . . . A 10 PHE H . 19638 1 76 . 1 1 15 15 PHE HA H 1 3.503 0.003 . . . . . A 10 PHE HA . 19638 1 77 . 1 1 15 15 PHE HB2 H 1 2.958 0.008 . . . . . A 10 PHE HB2 . 19638 1 78 . 1 1 15 15 PHE HB3 H 1 2.703 0.005 . . . . . A 10 PHE HB3 . 19638 1 79 . 1 1 15 15 PHE HD1 H 1 7.731 0.011 . . . . . A 10 PHE HD# . 19638 1 80 . 1 1 15 15 PHE HD2 H 1 7.731 0.011 . . . . . A 10 PHE HD# . 19638 1 81 . 1 1 15 15 PHE HE1 H 1 8.158 0.005 . . . . . A 10 PHE HE# . 19638 1 82 . 1 1 15 15 PHE HE2 H 1 8.158 0.005 . . . . . A 10 PHE HE# . 19638 1 83 . 1 1 15 15 PHE HZ H 1 8.507 0.008 . . . . . A 10 PHE HZ . 19638 1 84 . 1 1 16 16 LYS H H 1 8.365 0.008 . . . . . A 11 LYS H . 19638 1 85 . 1 1 16 16 LYS HA H 1 4.223 0.05 . . . . . A 11 LYS HA . 19638 1 86 . 1 1 16 16 LYS HB2 H 1 2.164 0.001 . . . . . A 11 LYS HB2 . 19638 1 87 . 1 1 16 16 LYS HB3 H 1 1.812 0.005 . . . . . A 11 LYS HB3 . 19638 1 88 . 1 1 16 16 LYS HG2 H 1 1.383 0 . . . . . A 11 LYS HG# . 19638 1 89 . 1 1 16 16 LYS HG3 H 1 1.383 0 . . . . . A 11 LYS HG# . 19638 1 90 . 1 1 16 16 LYS HE2 H 1 2.864 0.006 . . . . . A 11 LYS HE# . 19638 1 91 . 1 1 16 16 LYS HE3 H 1 2.864 0.006 . . . . . A 11 LYS HE# . 19638 1 92 . 1 1 17 17 THR H H 1 7.959 0.007 . . . . . A 12 THR H . 19638 1 93 . 1 1 17 17 THR HA H 1 4.361 0 . . . . . A 12 THR HA . 19638 1 94 . 1 1 17 17 THR HB H 1 4.181 0.002 . . . . . A 12 THR HB . 19638 1 95 . 1 1 17 17 THR HG21 H 1 1.33 0.003 . . . . . A 12 THR HG2# . 19638 1 96 . 1 1 17 17 THR HG22 H 1 1.33 0.003 . . . . . A 12 THR HG2# . 19638 1 97 . 1 1 17 17 THR HG23 H 1 1.33 0.003 . . . . . A 12 THR HG2# . 19638 1 98 . 1 1 18 18 ARG H H 1 8.338 0.005 . . . . . A 13 ARG H . 19638 1 99 . 1 1 18 18 ARG HA H 1 4.586 0.004 . . . . . A 13 ARG HA . 19638 1 100 . 1 1 18 18 ARG HB2 H 1 1.418 0.003 . . . . . A 13 ARG HB2 . 19638 1 101 . 1 1 18 18 ARG HB3 H 1 1.043 0.001 . . . . . A 13 ARG HB3 . 19638 1 102 . 1 1 18 18 ARG HG2 H 1 1.248 0.002 . . . . . A 13 ARG HG2 . 19638 1 103 . 1 1 18 18 ARG HG3 H 1 1.08 0 . . . . . A 13 ARG HG3 . 19638 1 104 . 1 1 18 18 ARG HD2 H 1 2.655 0 . . . . . A 13 ARG HD# . 19638 1 105 . 1 1 18 18 ARG HD3 H 1 2.655 0 . . . . . A 13 ARG HD# . 19638 1 106 . 1 1 19 19 CYS H H 1 8.047 0.007 . . . . . A 14 CYS H . 19638 1 107 . 1 1 19 19 CYS HA H 1 0.914 0.006 . . . . . A 14 CYS HA . 19638 1 108 . 1 1 19 19 CYS HB2 H 1 2.822 0.007 . . . . . A 14 CYS HB2 . 19638 1 109 . 1 1 19 19 CYS HB3 H 1 2.572 0.003 . . . . . A 14 CYS HB3 . 19638 1 110 . 1 1 20 20 LEU H H 1 8.07 0.009 . . . . . A 15 LEU H . 19638 1 111 . 1 1 20 20 LEU HA H 1 6.118 0.01 . . . . . A 15 LEU HA . 19638 1 112 . 1 1 20 20 LEU HB2 H 1 2.625 0.002 . . . . . A 15 LEU HB2 . 19638 1 113 . 1 1 20 20 LEU HB3 H 1 2.146 0.001 . . . . . A 15 LEU HB3 . 19638 1 114 . 1 1 20 20 LEU HG H 1 2.529 0.002 . . . . . A 15 LEU HG . 19638 1 115 . 1 1 20 20 LEU HD11 H 1 1.445 0 . . . . . A 15 LEU HD1# . 19638 1 116 . 1 1 20 20 LEU HD12 H 1 1.445 0 . . . . . A 15 LEU HD1# . 19638 1 117 . 1 1 20 20 LEU HD13 H 1 1.445 0 . . . . . A 15 LEU HD1# . 19638 1 118 . 1 1 20 20 LEU HD21 H 1 2.025 0.003 . . . . . A 15 LEU HD2# . 19638 1 119 . 1 1 20 20 LEU HD22 H 1 2.025 0.003 . . . . . A 15 LEU HD2# . 19638 1 120 . 1 1 20 20 LEU HD23 H 1 2.025 0.003 . . . . . A 15 LEU HD2# . 19638 1 121 . 1 1 21 21 GLN H H 1 10.022 0.003 . . . . . A 16 GLN H . 19638 1 122 . 1 1 21 21 GLN HA H 1 4.658 0.005 . . . . . A 16 GLN HA . 19638 1 123 . 1 1 21 21 GLN HB2 H 1 2.615 0.004 . . . . . A 16 GLN HB2 . 19638 1 124 . 1 1 21 21 GLN HB3 H 1 2.371 0.008 . . . . . A 16 GLN HB3 . 19638 1 125 . 1 1 21 21 GLN HG2 H 1 2.942 0.005 . . . . . A 16 GLN HG2 . 19638 1 126 . 1 1 21 21 GLN HG3 H 1 2.786 0.005 . . . . . A 16 GLN HG3 . 19638 1 127 . 1 1 21 21 GLN HE21 H 1 6.903 0.001 . . . . . A 16 GLN HE21 . 19638 1 128 . 1 1 21 21 GLN HE22 H 1 7.597 0.004 . . . . . A 16 GLN HE22 . 19638 1 129 . 1 1 22 22 CYS H H 1 9.73 0.007 . . . . . A 17 CYS H . 19638 1 130 . 1 1 22 22 CYS HA H 1 6.188 0.034 . . . . . A 17 CYS HA . 19638 1 131 . 1 1 22 22 CYS HB2 H 1 2.366 0.005 . . . . . A 17 CYS HB2 . 19638 1 132 . 1 1 22 22 CYS HB3 H 1 2.313 0.003 . . . . . A 17 CYS HB3 . 19638 1 133 . 1 1 23 23 HIS H H 1 11.098 0.003 . . . . . A 18 HIS H . 19638 1 134 . 1 1 23 23 HIS HA H 1 8.844 0.01 . . . . . A 18 HIS HA . 19638 1 135 . 1 1 23 23 HIS HB2 H 1 15.552 0.005 . . . . . A 18 HIS HB2 . 19638 1 136 . 1 1 23 23 HIS HB3 H 1 8.365 0.003 . . . . . A 18 HIS HB3 . 19638 1 137 . 1 1 23 23 HIS HD1 H 1 10.107 0 . . . . . A 18 HIS HD1 . 19638 1 138 . 1 1 24 24 THR H H 1 10.18 0.012 . . . . . A 19 THR H . 19638 1 139 . 1 1 24 24 THR HA H 1 6.298 0.011 . . . . . A 19 THR HA . 19638 1 140 . 1 1 24 24 THR HB H 1 5.457 0.009 . . . . . A 19 THR HB . 19638 1 141 . 1 1 24 24 THR HG21 H 1 2.174 0.011 . . . . . A 19 THR HG2# . 19638 1 142 . 1 1 24 24 THR HG22 H 1 2.174 0.011 . . . . . A 19 THR HG2# . 19638 1 143 . 1 1 24 24 THR HG23 H 1 2.174 0.011 . . . . . A 19 THR HG2# . 19638 1 144 . 1 1 25 25 VAL H H 1 8.927 0.011 . . . . . A 20 VAL H . 19638 1 145 . 1 1 25 25 VAL HA H 1 5.004 0.004 . . . . . A 20 VAL HA . 19638 1 146 . 1 1 25 25 VAL HB H 1 2.11 0.002 . . . . . A 20 VAL HB . 19638 1 147 . 1 1 25 25 VAL HG11 H 1 0.946 0.002 . . . . . A 20 VAL HG# . 19638 1 148 . 1 1 25 25 VAL HG12 H 1 0.946 0.002 . . . . . A 20 VAL HG# . 19638 1 149 . 1 1 25 25 VAL HG13 H 1 0.946 0.002 . . . . . A 20 VAL HG# . 19638 1 150 . 1 1 25 25 VAL HG21 H 1 0.946 0.002 . . . . . A 20 VAL HG# . 19638 1 151 . 1 1 25 25 VAL HG22 H 1 0.946 0.002 . . . . . A 20 VAL HG# . 19638 1 152 . 1 1 25 25 VAL HG23 H 1 0.946 0.002 . . . . . A 20 VAL HG# . 19638 1 153 . 1 1 26 26 GLU H H 1 9.46 0.007 . . . . . A 21 GLU H . 19638 1 154 . 1 1 26 26 GLU HA H 1 4.619 0.007 . . . . . A 21 GLU HA . 19638 1 155 . 1 1 26 26 GLU HB2 H 1 2.171 0.005 . . . . . A 21 GLU HB2 . 19638 1 156 . 1 1 26 26 GLU HB3 H 1 2.088 0.003 . . . . . A 21 GLU HB3 . 19638 1 157 . 1 1 27 27 LYS H H 1 9.064 0.001 . . . . . A 22 LYS H . 19638 1 158 . 1 1 27 27 LYS HA H 1 3.626 0 . . . . . A 22 LYS HA . 19638 1 159 . 1 1 28 28 GLY H H 1 9.543 0.001 . . . . . A 23 GLY H . 19638 1 160 . 1 1 28 28 GLY HA2 H 1 4.045 0.004 . . . . . A 23 GLY HA2 . 19638 1 161 . 1 1 28 28 GLY HA3 H 1 3.724 0.001 . . . . . A 23 GLY HA3 . 19638 1 162 . 1 1 29 29 GLY H H 1 8.296 0.002 . . . . . A 24 GLY H . 19638 1 163 . 1 1 29 29 GLY HA2 H 1 4.416 0 . . . . . A 24 GLY HA2 . 19638 1 164 . 1 1 29 29 GLY HA3 H 1 3.691 0 . . . . . A 24 GLY HA3 . 19638 1 165 . 1 1 30 30 PRO HA H 1 4.497 0 . . . . . A 25 PRO HA . 19638 1 166 . 1 1 30 30 PRO HG2 H 1 2.073 0 . . . . . A 25 PRO HG2 . 19638 1 167 . 1 1 30 30 PRO HG3 H 1 1.973 0 . . . . . A 25 PRO HG3 . 19638 1 168 . 1 1 30 30 PRO HD2 H 1 3.792 0.01 . . . . . A 25 PRO HD2 . 19638 1 169 . 1 1 30 30 PRO HD3 H 1 3.655 0 . . . . . A 25 PRO HD3 . 19638 1 170 . 1 1 31 31 HIS H H 1 8.931 0.002 . . . . . A 26 HIS H . 19638 1 171 . 1 1 31 31 HIS HA H 1 5.275 0.008 . . . . . A 26 HIS HA . 19638 1 172 . 1 1 31 31 HIS HB2 H 1 3.113 0.003 . . . . . A 26 HIS HB2 . 19638 1 173 . 1 1 31 31 HIS HB3 H 1 2.962 0.06 . . . . . A 26 HIS HB3 . 19638 1 174 . 1 1 31 31 HIS HD2 H 1 6.97 0.001 . . . . . A 26 HIS HD2 . 19638 1 175 . 1 1 31 31 HIS HE1 H 1 7.805 0.007 . . . . . A 26 HIS HE1 . 19638 1 176 . 1 1 32 32 LYS H H 1 8.362 0.004 . . . . . A 27 LYS H . 19638 1 177 . 1 1 32 32 LYS HA H 1 4.67 0 . . . . . A 27 LYS HA . 19638 1 178 . 1 1 32 32 LYS HB2 H 1 2.536 0.002 . . . . . A 27 LYS HB2 . 19638 1 179 . 1 1 32 32 LYS HB3 H 1 1.805 0.002 . . . . . A 27 LYS HB3 . 19638 1 180 . 1 1 33 33 VAL H H 1 7.72 0.002 . . . . . A 28 VAL H . 19638 1 181 . 1 1 33 33 VAL HA H 1 3.136 0.011 . . . . . A 28 VAL HA . 19638 1 182 . 1 1 33 33 VAL HB H 1 1.298 0.005 . . . . . A 28 VAL HB . 19638 1 183 . 1 1 33 33 VAL HG11 H 1 -0.065 0.008 . . . . . A 28 VAL HG1# . 19638 1 184 . 1 1 33 33 VAL HG12 H 1 -0.065 0.008 . . . . . A 28 VAL HG1# . 19638 1 185 . 1 1 33 33 VAL HG13 H 1 -0.065 0.008 . . . . . A 28 VAL HG1# . 19638 1 186 . 1 1 33 33 VAL HG21 H 1 0.761 0.001 . . . . . A 28 VAL HG2# . 19638 1 187 . 1 1 33 33 VAL HG22 H 1 0.761 0.001 . . . . . A 28 VAL HG2# . 19638 1 188 . 1 1 33 33 VAL HG23 H 1 0.761 0.001 . . . . . A 28 VAL HG2# . 19638 1 189 . 1 1 34 34 GLY H H 1 7.705 0.006 . . . . . A 29 GLY H . 19638 1 190 . 1 1 34 34 GLY HA2 H 1 -0.494 0.014 . . . . . A 29 GLY HA2 . 19638 1 191 . 1 1 34 34 GLY HA3 H 1 -3.07 0.012 . . . . . A 29 GLY HA3 . 19638 1 192 . 1 1 35 35 PRO HA H 1 4.118 0.006 . . . . . A 30 PRO HA . 19638 1 193 . 1 1 35 35 PRO HB2 H 1 1.749 0.011 . . . . . A 30 PRO HB2 . 19638 1 194 . 1 1 35 35 PRO HB3 H 1 0.129 0.005 . . . . . A 30 PRO HB3 . 19638 1 195 . 1 1 35 35 PRO HG2 H 1 -0.71 0.009 . . . . . A 30 PRO HG2 . 19638 1 196 . 1 1 35 35 PRO HG3 H 1 0.013 0.008 . . . . . A 30 PRO HG3 . 19638 1 197 . 1 1 35 35 PRO HD3 H 1 -1.613 0 . . . . . A 30 PRO HD3 . 19638 1 198 . 1 1 36 36 ASN H H 1 11.993 0.003 . . . . . A 31 ASN H . 19638 1 199 . 1 1 36 36 ASN HA H 1 5.917 0.009 . . . . . A 31 ASN HA . 19638 1 200 . 1 1 36 36 ASN HB2 H 1 3.007 0.007 . . . . . A 31 ASN HB2 . 19638 1 201 . 1 1 36 36 ASN HB3 H 1 2.627 0.003 . . . . . A 31 ASN HB3 . 19638 1 202 . 1 1 36 36 ASN HD21 H 1 8.136 0.007 . . . . . A 31 ASN HD21 . 19638 1 203 . 1 1 37 37 LEU H H 1 9.445 0.009 . . . . . A 32 LEU H . 19638 1 204 . 1 1 37 37 LEU HA H 1 4.46 0.002 . . . . . A 32 LEU HA . 19638 1 205 . 1 1 37 37 LEU HB2 H 1 2.541 0.003 . . . . . A 32 LEU HB2 . 19638 1 206 . 1 1 37 37 LEU HB3 H 1 2.071 0.005 . . . . . A 32 LEU HB3 . 19638 1 207 . 1 1 37 37 LEU HG H 1 1.645 0.001 . . . . . A 32 LEU HG . 19638 1 208 . 1 1 37 37 LEU HD11 H 1 0.618 0.004 . . . . . A 32 LEU HD1# . 19638 1 209 . 1 1 37 37 LEU HD12 H 1 0.618 0.004 . . . . . A 32 LEU HD1# . 19638 1 210 . 1 1 37 37 LEU HD13 H 1 0.618 0.004 . . . . . A 32 LEU HD1# . 19638 1 211 . 1 1 37 37 LEU HD21 H 1 1.082 0.007 . . . . . A 32 LEU HD2# . 19638 1 212 . 1 1 37 37 LEU HD22 H 1 1.082 0.007 . . . . . A 32 LEU HD2# . 19638 1 213 . 1 1 37 37 LEU HD23 H 1 1.082 0.007 . . . . . A 32 LEU HD2# . 19638 1 214 . 1 1 38 38 HIS H H 1 8.051 0.008 . . . . . A 33 HIS H . 19638 1 215 . 1 1 38 38 HIS HA H 1 4.106 0.005 . . . . . A 33 HIS HA . 19638 1 216 . 1 1 38 38 HIS HB2 H 1 3.329 0.003 . . . . . A 33 HIS HB2 . 19638 1 217 . 1 1 38 38 HIS HB3 H 1 3.23 0.007 . . . . . A 33 HIS HB3 . 19638 1 218 . 1 1 38 38 HIS HD2 H 1 6.248 0 . . . . . A 33 HIS HD2 . 19638 1 219 . 1 1 38 38 HIS HE1 H 1 6.929 0 . . . . . A 33 HIS HE1 . 19638 1 220 . 1 1 39 39 GLY H H 1 9.066 0.006 . . . . . A 34 GLY H . 19638 1 221 . 1 1 39 39 GLY HA2 H 1 3.767 0 . . . . . A 34 GLY HA2 . 19638 1 222 . 1 1 39 39 GLY HA3 H 1 3.676 0.002 . . . . . A 34 GLY HA3 . 19638 1 223 . 1 1 40 40 ILE H H 1 7.068 0.01 . . . . . A 35 ILE H . 19638 1 224 . 1 1 40 40 ILE HA H 1 3.561 0.006 . . . . . A 35 ILE HA . 19638 1 225 . 1 1 40 40 ILE HB H 1 1.467 0.002 . . . . . A 35 ILE HB . 19638 1 226 . 1 1 40 40 ILE HG12 H 1 1.025 0.001 . . . . . A 35 ILE HG12 . 19638 1 227 . 1 1 40 40 ILE HG13 H 1 0.492 0.001 . . . . . A 35 ILE HG13 . 19638 1 228 . 1 1 40 40 ILE HG21 H 1 -0.119 0.003 . . . . . A 35 ILE HG2# . 19638 1 229 . 1 1 40 40 ILE HG22 H 1 -0.119 0.003 . . . . . A 35 ILE HG2# . 19638 1 230 . 1 1 40 40 ILE HG23 H 1 -0.119 0.003 . . . . . A 35 ILE HG2# . 19638 1 231 . 1 1 40 40 ILE HD11 H 1 0.217 0.009 . . . . . A 35 ILE HD1# . 19638 1 232 . 1 1 40 40 ILE HD12 H 1 0.217 0.009 . . . . . A 35 ILE HD1# . 19638 1 233 . 1 1 40 40 ILE HD13 H 1 0.217 0.009 . . . . . A 35 ILE HD1# . 19638 1 234 . 1 1 41 41 PHE H H 1 7.901 0.005 . . . . . A 36 PHE H . 19638 1 235 . 1 1 41 41 PHE HA H 1 3.912 0.004 . . . . . A 36 PHE HA . 19638 1 236 . 1 1 41 41 PHE HB2 H 1 2.834 0.008 . . . . . A 36 PHE HB2 . 19638 1 237 . 1 1 41 41 PHE HB3 H 1 2.717 0.003 . . . . . A 36 PHE HB3 . 19638 1 238 . 1 1 41 41 PHE HD1 H 1 6.931 0.008 . . . . . A 36 PHE HD# . 19638 1 239 . 1 1 41 41 PHE HD2 H 1 6.931 0.008 . . . . . A 36 PHE HD# . 19638 1 240 . 1 1 41 41 PHE HE1 H 1 6.359 0.003 . . . . . A 36 PHE HE# . 19638 1 241 . 1 1 41 41 PHE HE2 H 1 6.359 0.003 . . . . . A 36 PHE HE# . 19638 1 242 . 1 1 41 41 PHE HZ H 1 6.36 0.002 . . . . . A 36 PHE HZ . 19638 1 243 . 1 1 42 42 GLY H H 1 8.766 0.001 . . . . . A 37 GLY H . 19638 1 244 . 1 1 42 42 GLY HA2 H 1 4.175 0.002 . . . . . A 37 GLY HA2 . 19638 1 245 . 1 1 42 42 GLY HA3 H 1 3.557 0.005 . . . . . A 37 GLY HA3 . 19638 1 246 . 1 1 43 43 ARG H H 1 7.962 0.009 . . . . . A 38 ARG H . 19638 1 247 . 1 1 43 43 ARG HA H 1 4.615 0.003 . . . . . A 38 ARG HA . 19638 1 248 . 1 1 43 43 ARG HB2 H 1 1.786 0.005 . . . . . A 38 ARG HB# . 19638 1 249 . 1 1 43 43 ARG HB3 H 1 1.786 0.005 . . . . . A 38 ARG HB# . 19638 1 250 . 1 1 43 43 ARG HG2 H 1 1.962 0.004 . . . . . A 38 ARG HG# . 19638 1 251 . 1 1 43 43 ARG HG3 H 1 1.962 0.004 . . . . . A 38 ARG HG# . 19638 1 252 . 1 1 43 43 ARG HD2 H 1 3.208 0.004 . . . . . A 38 ARG HD# . 19638 1 253 . 1 1 43 43 ARG HD3 H 1 3.208 0.004 . . . . . A 38 ARG HD# . 19638 1 254 . 1 1 44 44 HIS H H 1 8.064 0.005 . . . . . A 39 HIS H . 19638 1 255 . 1 1 44 44 HIS HA H 1 5.062 0.011 . . . . . A 39 HIS HA . 19638 1 256 . 1 1 44 44 HIS HB2 H 1 2.932 0.004 . . . . . A 39 HIS HB2 . 19638 1 257 . 1 1 44 44 HIS HB3 H 1 2.788 0.009 . . . . . A 39 HIS HB3 . 19638 1 258 . 1 1 44 44 HIS HD2 H 1 6.712 0.009 . . . . . A 39 HIS HD2 . 19638 1 259 . 1 1 44 44 HIS HE1 H 1 8.236 0.004 . . . . . A 39 HIS HE1 . 19638 1 260 . 1 1 45 45 SER H H 1 8.588 0.009 . . . . . A 40 SER H . 19638 1 261 . 1 1 45 45 SER HA H 1 4.601 0.006 . . . . . A 40 SER HA . 19638 1 262 . 1 1 45 45 SER HB2 H 1 4.117 0.02 . . . . . A 40 SER HB2 . 19638 1 263 . 1 1 45 45 SER HB3 H 1 3.762 0.007 . . . . . A 40 SER HB3 . 19638 1 264 . 1 1 46 46 GLY H H 1 8.93 0.004 . . . . . A 41 GLY H . 19638 1 265 . 1 1 46 46 GLY HA2 H 1 3.061 0.009 . . . . . A 41 GLY HA2 . 19638 1 266 . 1 1 46 46 GLY HA3 H 1 1.111 0.005 . . . . . A 41 GLY HA3 . 19638 1 267 . 1 1 47 47 GLN H H 1 7.865 0.005 . . . . . A 42 GLN H . 19638 1 268 . 1 1 47 47 GLN HB2 H 1 2.437 0 . . . . . A 42 GLN HB2 . 19638 1 269 . 1 1 47 47 GLN HB3 H 1 1.677 0.009 . . . . . A 42 GLN HB3 . 19638 1 270 . 1 1 47 47 GLN HG2 H 1 2.193 0 . . . . . A 42 GLN HG2 . 19638 1 271 . 1 1 47 47 GLN HG3 H 1 2.111 0 . . . . . A 42 GLN HG3 . 19638 1 272 . 1 1 47 47 GLN HE21 H 1 6.765 0 . . . . . A 42 GLN HE21 . 19638 1 273 . 1 1 48 48 ALA H H 1 8.062 0.006 . . . . . A 43 ALA H . 19638 1 274 . 1 1 48 48 ALA HA H 1 4.336 0.006 . . . . . A 43 ALA HA . 19638 1 275 . 1 1 48 48 ALA HB1 H 1 1.559 0.003 . . . . . A 43 ALA HB# . 19638 1 276 . 1 1 48 48 ALA HB2 H 1 1.559 0.003 . . . . . A 43 ALA HB# . 19638 1 277 . 1 1 48 48 ALA HB3 H 1 1.559 0.003 . . . . . A 43 ALA HB# . 19638 1 278 . 1 1 49 49 GLU H H 1 8.924 0.002 . . . . . A 44 GLU H . 19638 1 279 . 1 1 49 49 GLU HA H 1 4.175 0 . . . . . A 44 GLU HA . 19638 1 280 . 1 1 49 49 GLU HB2 H 1 2.345 0.002 . . . . . A 44 GLU HB2 . 19638 1 281 . 1 1 49 49 GLU HB3 H 1 2.117 0.001 . . . . . A 44 GLU HB3 . 19638 1 282 . 1 1 49 49 GLU HG2 H 1 2.42 0.001 . . . . . A 44 GLU HG2 . 19638 1 283 . 1 1 49 49 GLU HG3 H 1 2.42 0.001 . . . . . A 44 GLU HG3 . 19638 1 284 . 1 1 50 50 GLY HA2 H 1 4.29 0.003 . . . . . . 45 GLY HA2 . 19638 1 285 . 1 1 51 51 TYR H H 1 7.033 0.003 . . . . . A 46 TYR H . 19638 1 286 . 1 1 51 51 TYR HA H 1 3.845 0.005 . . . . . A 46 TYR HA . 19638 1 287 . 1 1 51 51 TYR HB2 H 1 1.526 0.009 . . . . . A 46 TYR HB2 . 19638 1 288 . 1 1 51 51 TYR HB3 H 1 0.692 0.009 . . . . . A 46 TYR HB3 . 19638 1 289 . 1 1 51 51 TYR HD1 H 1 6.248 0.001 . . . . . A 46 TYR HD1 . 19638 1 290 . 1 1 51 51 TYR HE1 H 1 3.686 0.001 . . . . . A 46 TYR HE1 . 19638 1 291 . 1 1 51 51 TYR HE2 H 1 5.115 0.004 . . . . . A 46 TYR HE2 . 19638 1 292 . 1 1 52 52 SER HA H 1 4.283 0 . . . . . A 47 SER HA . 19638 1 293 . 1 1 52 52 SER HB2 H 1 3.161 0 . . . . . A 47 SER HB2 . 19638 1 294 . 1 1 52 52 SER HB3 H 1 3 0 . . . . . A 47 SER HB3 . 19638 1 295 . 1 1 53 53 TYR H H 1 7.905 0.014 . . . . . A 48 TYR H . 19638 1 296 . 1 1 53 53 TYR HA H 1 4.242 0.001 . . . . . A 48 TYR HA . 19638 1 297 . 1 1 53 53 TYR HB2 H 1 3.343 0.007 . . . . . A 48 TYR HB2 . 19638 1 298 . 1 1 53 53 TYR HB3 H 1 2.532 0.003 . . . . . A 48 TYR HB3 . 19638 1 299 . 1 1 53 53 TYR HD1 H 1 6.988 0.004 . . . . . A 48 TYR HD# . 19638 1 300 . 1 1 53 53 TYR HD2 H 1 6.988 0.004 . . . . . A 48 TYR HD# . 19638 1 301 . 1 1 53 53 TYR HE1 H 1 8.299 0.001 . . . . . A 48 TYR HE# . 19638 1 302 . 1 1 53 53 TYR HE2 H 1 8.299 0.001 . . . . . A 48 TYR HE# . 19638 1 303 . 1 1 54 54 THR H H 1 9.712 0.007 . . . . . A 49 THR H . 19638 1 304 . 1 1 54 54 THR HA H 1 4.124 0.001 . . . . . A 49 THR HA . 19638 1 305 . 1 1 54 54 THR HB H 1 4.6 0.004 . . . . . A 49 THR HB . 19638 1 306 . 1 1 54 54 THR HG21 H 1 1.417 0.009 . . . . . A 49 THR HG2# . 19638 1 307 . 1 1 54 54 THR HG22 H 1 1.417 0.009 . . . . . A 49 THR HG2# . 19638 1 308 . 1 1 54 54 THR HG23 H 1 1.417 0.009 . . . . . A 49 THR HG2# . 19638 1 309 . 1 1 55 55 ASP H H 1 8.682 0.007 . . . . . A 50 ASP H . 19638 1 310 . 1 1 55 55 ASP HA H 1 4.261 0.007 . . . . . A 50 ASP HA . 19638 1 311 . 1 1 55 55 ASP HB2 H 1 2.639 0.005 . . . . . A 50 ASP HB2 . 19638 1 312 . 1 1 55 55 ASP HB3 H 1 2.578 0.001 . . . . . A 50 ASP HB3 . 19638 1 313 . 1 1 56 56 ALA H H 1 7.802 0.006 . . . . . A 51 ALA H . 19638 1 314 . 1 1 56 56 ALA HA H 1 4.182 0.002 . . . . . A 51 ALA HA . 19638 1 315 . 1 1 56 56 ALA HB1 H 1 1.553 0.005 . . . . . A 51 ALA HB# . 19638 1 316 . 1 1 56 56 ALA HB2 H 1 1.553 0.005 . . . . . A 51 ALA HB# . 19638 1 317 . 1 1 56 56 ALA HB3 H 1 1.553 0.005 . . . . . A 51 ALA HB# . 19638 1 318 . 1 1 57 57 ASN H H 1 8.422 0.008 . . . . . A 52 ASN H . 19638 1 319 . 1 1 57 57 ASN HA H 1 4.687 0.007 . . . . . A 52 ASN HA . 19638 1 320 . 1 1 57 57 ASN HB2 H 1 3.292 0.005 . . . . . A 52 ASN HB2 . 19638 1 321 . 1 1 57 57 ASN HB3 H 1 3.077 0.006 . . . . . A 52 ASN HB3 . 19638 1 322 . 1 1 57 57 ASN HD21 H 1 7.146 0.007 . . . . . A 52 ASN HD21 . 19638 1 323 . 1 1 57 57 ASN HD22 H 1 7.771 0.005 . . . . . A 52 ASN HD22 . 19638 1 324 . 1 1 58 58 ILE H H 1 7.686 0.006 . . . . . A 53 ILE H . 19638 1 325 . 1 1 58 58 ILE HA H 1 3.68 0.007 . . . . . A 53 ILE HA . 19638 1 326 . 1 1 58 58 ILE HB H 1 1.909 0.001 . . . . . A 53 ILE HB . 19638 1 327 . 1 1 58 58 ILE HG12 H 1 1.643 0.005 . . . . . A 53 ILE HG12 . 19638 1 328 . 1 1 58 58 ILE HG13 H 1 1.11 0.005 . . . . . A 53 ILE HG13 . 19638 1 329 . 1 1 58 58 ILE HG21 H 1 0.879 0.001 . . . . . A 53 ILE HG2# . 19638 1 330 . 1 1 58 58 ILE HG22 H 1 0.879 0.001 . . . . . A 53 ILE HG2# . 19638 1 331 . 1 1 58 58 ILE HG23 H 1 0.879 0.001 . . . . . A 53 ILE HG2# . 19638 1 332 . 1 1 58 58 ILE HD11 H 1 0.892 0.006 . . . . . A 53 ILE HD1# . 19638 1 333 . 1 1 58 58 ILE HD12 H 1 0.892 0.006 . . . . . A 53 ILE HD1# . 19638 1 334 . 1 1 58 58 ILE HD13 H 1 0.892 0.006 . . . . . A 53 ILE HD1# . 19638 1 335 . 1 1 59 59 LYS H H 1 9.101 0.003 . . . . . A 54 LYS H . 19638 1 336 . 1 1 59 59 LYS HA H 1 3.929 0.002 . . . . . A 54 LYS HA . 19638 1 337 . 1 1 59 59 LYS HB2 H 1 1.86 0.003 . . . . . A 54 LYS HB2 . 19638 1 338 . 1 1 59 59 LYS HB3 H 1 1.627 0.004 . . . . . A 54 LYS HB3 . 19638 1 339 . 1 1 59 59 LYS HG2 H 1 1.479 0 . . . . . A 54 LYS HG2 . 19638 1 340 . 1 1 59 59 LYS HG3 H 1 1.333 0 . . . . . A 54 LYS HG3 . 19638 1 341 . 1 1 59 59 LYS HD2 H 1 1.556 0 . . . . . A 54 LYS HD# . 19638 1 342 . 1 1 59 59 LYS HD3 H 1 1.556 0 . . . . . A 54 LYS HD# . 19638 1 343 . 1 1 60 60 LYS H H 1 7.355 0.012 . . . . . A 55 LYS H . 19638 1 344 . 1 1 60 60 LYS HA H 1 4.036 0.008 . . . . . A 55 LYS HA . 19638 1 345 . 1 1 60 60 LYS HB2 H 1 1.99 0 . . . . . A 55 LYS HB2 . 19638 1 346 . 1 1 60 60 LYS HB3 H 1 1.895 0.005 . . . . . A 55 LYS HB3 . 19638 1 347 . 1 1 60 60 LYS HG2 H 1 1.218 0.007 . . . . . A 55 LYS HG# . 19638 1 348 . 1 1 60 60 LYS HG3 H 1 1.218 0.007 . . . . . A 55 LYS HG# . 19638 1 349 . 1 1 61 61 ASN H H 1 7.506 0.004 . . . . . A 56 ASN H . 19638 1 350 . 1 1 61 61 ASN HA H 1 4.325 0.008 . . . . . A 56 ASN HA . 19638 1 351 . 1 1 61 61 ASN HB2 H 1 3.027 0.012 . . . . . A 56 ASN HB2 . 19638 1 352 . 1 1 61 61 ASN HB3 H 1 2.29 0.002 . . . . . A 56 ASN HB3 . 19638 1 353 . 1 1 61 61 ASN HD21 H 1 6.499 0 . . . . . A 56 ASN HD21 . 19638 1 354 . 1 1 61 61 ASN HD22 H 1 7.664 0.007 . . . . . A 56 ASN HD22 . 19638 1 355 . 1 1 62 62 VAL H H 1 7.341 0.005 . . . . . A 57 VAL H . 19638 1 356 . 1 1 62 62 VAL HA H 1 4.191 0.016 . . . . . A 57 VAL HA . 19638 1 357 . 1 1 62 62 VAL HB H 1 1.341 0 . . . . . A 57 VAL HB . 19638 1 358 . 1 1 62 62 VAL HG11 H 1 0.159 0.011 . . . . . A 57 VAL HG1# . 19638 1 359 . 1 1 62 62 VAL HG12 H 1 0.159 0.011 . . . . . A 57 VAL HG1# . 19638 1 360 . 1 1 62 62 VAL HG13 H 1 0.159 0.011 . . . . . A 57 VAL HG1# . 19638 1 361 . 1 1 62 62 VAL HG21 H 1 0.364 0.003 . . . . . A 57 VAL HG2# . 19638 1 362 . 1 1 62 62 VAL HG22 H 1 0.364 0.003 . . . . . A 57 VAL HG2# . 19638 1 363 . 1 1 62 62 VAL HG23 H 1 0.364 0.003 . . . . . A 57 VAL HG2# . 19638 1 364 . 1 1 63 63 LEU H H 1 8.22 0.008 . . . . . A 58 LEU H . 19638 1 365 . 1 1 63 63 LEU HA H 1 3.798 0.004 . . . . . A 58 LEU HA . 19638 1 366 . 1 1 63 63 LEU HB2 H 1 1.49 0.007 . . . . . A 58 LEU HB2 . 19638 1 367 . 1 1 63 63 LEU HB3 H 1 0.903 0.002 . . . . . A 58 LEU HB3 . 19638 1 368 . 1 1 63 63 LEU HG H 1 0.974 0.005 . . . . . A 58 LEU HG . 19638 1 369 . 1 1 63 63 LEU HD11 H 1 0.38 0.008 . . . . . A 58 LEU HD1# . 19638 1 370 . 1 1 63 63 LEU HD12 H 1 0.38 0.008 . . . . . A 58 LEU HD1# . 19638 1 371 . 1 1 63 63 LEU HD13 H 1 0.38 0.008 . . . . . A 58 LEU HD1# . 19638 1 372 . 1 1 63 63 LEU HD21 H 1 0.555 0.003 . . . . . A 58 LEU HD2# . 19638 1 373 . 1 1 63 63 LEU HD22 H 1 0.555 0.003 . . . . . A 58 LEU HD2# . 19638 1 374 . 1 1 63 63 LEU HD23 H 1 0.555 0.003 . . . . . A 58 LEU HD2# . 19638 1 375 . 1 1 64 64 TRP H H 1 7.973 0.009 . . . . . A 59 TRP H . 19638 1 376 . 1 1 64 64 TRP HA H 1 5.115 0.006 . . . . . A 59 TRP HA . 19638 1 377 . 1 1 64 64 TRP HB2 H 1 3.562 0.004 . . . . . A 59 TRP HB2 . 19638 1 378 . 1 1 64 64 TRP HB3 H 1 2.242 0.009 . . . . . A 59 TRP HB3 . 19638 1 379 . 1 1 64 64 TRP HD1 H 1 6.797 0.015 . . . . . A 59 TRP HD1 . 19638 1 380 . 1 1 64 64 TRP HE1 H 1 8.931 0.002 . . . . . A 59 TRP HE1 . 19638 1 381 . 1 1 64 64 TRP HE3 H 1 7.521 0.008 . . . . . A 59 TRP HE3 . 19638 1 382 . 1 1 64 64 TRP HZ2 H 1 6.455 0.014 . . . . . A 59 TRP HZ2 . 19638 1 383 . 1 1 64 64 TRP HZ3 H 1 7.542 0.009 . . . . . A 59 TRP HZ3 . 19638 1 384 . 1 1 64 64 TRP HH2 H 1 6.38 0.014 . . . . . A 59 TRP HH2 . 19638 1 385 . 1 1 65 65 ASP H H 1 10.093 0.009 . . . . . A 60 ASP H . 19638 1 386 . 1 1 65 65 ASP HA H 1 4.737 0 . . . . . A 60 ASP HA . 19638 1 387 . 1 1 65 65 ASP HB2 H 1 2.965 0.003 . . . . . A 60 ASP HB2 . 19638 1 388 . 1 1 65 65 ASP HB3 H 1 2.695 0.003 . . . . . A 60 ASP HB3 . 19638 1 389 . 1 1 66 66 GLU H H 1 10.09 0.005 . . . . . A 61 GLU H . 19638 1 390 . 1 1 66 66 GLU HA H 1 3.338 0.007 . . . . . A 61 GLU HA . 19638 1 391 . 1 1 66 66 GLU HB2 H 1 1.287 0.007 . . . . . A 61 GLU HB2 . 19638 1 392 . 1 1 66 66 GLU HB3 H 1 1.105 0.003 . . . . . A 61 GLU HB3 . 19638 1 393 . 1 1 66 66 GLU HG2 H 1 0.831 0.003 . . . . . A 61 GLU HG# . 19638 1 394 . 1 1 66 66 GLU HG3 H 1 0.831 0.003 . . . . . A 61 GLU HG# . 19638 1 395 . 1 1 67 67 ASN H H 1 8.211 0.013 . . . . . A 62 ASN H . 19638 1 396 . 1 1 67 67 ASN HA H 1 4.456 0.006 . . . . . A 62 ASN HA . 19638 1 397 . 1 1 67 67 ASN HB2 H 1 2.884 0.01 . . . . . A 62 ASN HB2 . 19638 1 398 . 1 1 67 67 ASN HB3 H 1 2.787 0.003 . . . . . A 62 ASN HB3 . 19638 1 399 . 1 1 67 67 ASN HD21 H 1 7.138 0.001 . . . . . A 62 ASN HD21 . 19638 1 400 . 1 1 67 67 ASN HD22 H 1 7.779 0.002 . . . . . A 62 ASN HD22 . 19638 1 401 . 1 1 68 68 ASN H H 1 9.331 0.008 . . . . . A 63 ASN H . 19638 1 402 . 1 1 68 68 ASN HA H 1 4.55 0.005 . . . . . A 63 ASN HA . 19638 1 403 . 1 1 68 68 ASN HB2 H 1 3.311 0.005 . . . . . A 63 ASN HB2 . 19638 1 404 . 1 1 68 68 ASN HB3 H 1 2.893 0.006 . . . . . A 63 ASN HB3 . 19638 1 405 . 1 1 68 68 ASN HD21 H 1 6.98 0.004 . . . . . A 63 ASN HD21 . 19638 1 406 . 1 1 68 68 ASN HD22 H 1 7.227 0.007 . . . . . A 63 ASN HD22 . 19638 1 407 . 1 1 69 69 MET H H 1 8.702 0.014 . . . . . A 64 MET H . 19638 1 408 . 1 1 69 69 MET HA H 1 4.321 0.011 . . . . . A 64 MET HA . 19638 1 409 . 1 1 69 69 MET HB2 H 1 2.447 0.008 . . . . . A 64 MET HB2 . 19638 1 410 . 1 1 69 69 MET HB3 H 1 1.994 0.004 . . . . . A 64 MET HB3 . 19638 1 411 . 1 1 69 69 MET HG2 H 1 1.734 0.005 . . . . . A 64 MET HG# . 19638 1 412 . 1 1 69 69 MET HG3 H 1 1.734 0.005 . . . . . A 64 MET HG# . 19638 1 413 . 1 1 69 69 MET HE1 H 1 -0.069 0.01 . . . . . A 64 MET HE# . 19638 1 414 . 1 1 69 69 MET HE2 H 1 -0.069 0.01 . . . . . A 64 MET HE# . 19638 1 415 . 1 1 69 69 MET HE3 H 1 -0.069 0.01 . . . . . A 64 MET HE# . 19638 1 416 . 1 1 70 70 SER H H 1 7.442 0.005 . . . . . A 65 SER H . 19638 1 417 . 1 1 70 70 SER HA H 1 3.445 0.002 . . . . . A 65 SER HA . 19638 1 418 . 1 1 70 70 SER HB2 H 1 4.089 0.014 . . . . . A 65 SER HB2 . 19638 1 419 . 1 1 70 70 SER HB3 H 1 3.841 0.001 . . . . . A 65 SER HB3 . 19638 1 420 . 1 1 71 71 GLU H H 1 7.574 0.004 . . . . . A 66 GLU H . 19638 1 421 . 1 1 71 71 GLU HA H 1 3.857 0.001 . . . . . A 66 GLU HA . 19638 1 422 . 1 1 71 71 GLU HB2 H 1 1.994 0.001 . . . . . A 66 GLU HB2 . 19638 1 423 . 1 1 71 71 GLU HB3 H 1 1.857 0.001 . . . . . A 66 GLU HB3 . 19638 1 424 . 1 1 71 71 GLU HG2 H 1 2.409 0.003 . . . . . A 66 GLU HG2 . 19638 1 425 . 1 1 71 71 GLU HG3 H 1 2.188 0.002 . . . . . A 66 GLU HG3 . 19638 1 426 . 1 1 72 72 HIS H H 1 8.297 0.001 . . . . . A 67 HIS H . 19638 1 427 . 1 1 72 72 HIS HA H 1 4.279 0.004 . . . . . A 67 HIS HA . 19638 1 428 . 1 1 72 72 HIS HB2 H 1 3.177 0.002 . . . . . A 67 HIS HB2 . 19638 1 429 . 1 1 72 72 HIS HB3 H 1 3.122 0.005 . . . . . A 67 HIS HB3 . 19638 1 430 . 1 1 72 72 HIS HD1 H 1 9.026 0.009 . . . . . A 67 HIS HD1 . 19638 1 431 . 1 1 72 72 HIS HD2 H 1 6.82 0.004 . . . . . A 67 HIS HD2 . 19638 1 432 . 1 1 72 72 HIS HE1 H 1 7.996 0.006 . . . . . A 67 HIS HE1 . 19638 1 433 . 1 1 73 73 LEU H H 1 8.06 0.005 . . . . . A 68 LEU H . 19638 1 434 . 1 1 73 73 LEU HA H 1 3.356 0.004 . . . . . A 68 LEU HA . 19638 1 435 . 1 1 73 73 LEU HB2 H 1 1.051 0.007 . . . . . A 68 LEU HB2 . 19638 1 436 . 1 1 73 73 LEU HB3 H 1 0.231 0.005 . . . . . A 68 LEU HB3 . 19638 1 437 . 1 1 73 73 LEU HG H 1 0.684 0.007 . . . . . A 68 LEU HG . 19638 1 438 . 1 1 73 73 LEU HD11 H 1 -3.045 0.011 . . . . . A 68 LEU HD1# . 19638 1 439 . 1 1 73 73 LEU HD12 H 1 -3.045 0.011 . . . . . A 68 LEU HD1# . 19638 1 440 . 1 1 73 73 LEU HD13 H 1 -3.045 0.011 . . . . . A 68 LEU HD1# . 19638 1 441 . 1 1 73 73 LEU HD21 H 1 -1.021 0.006 . . . . . A 68 LEU HD2# . 19638 1 442 . 1 1 73 73 LEU HD22 H 1 -1.021 0.006 . . . . . A 68 LEU HD2# . 19638 1 443 . 1 1 73 73 LEU HD23 H 1 -1.021 0.006 . . . . . A 68 LEU HD2# . 19638 1 444 . 1 1 74 74 THR H H 1 7.327 0.004 . . . . . A 69 THR H . 19638 1 445 . 1 1 74 74 THR HA H 1 3.792 0.002 . . . . . A 69 THR HA . 19638 1 446 . 1 1 74 74 THR HG21 H 1 1.142 0.001 . . . . . A 69 THR HG2# . 19638 1 447 . 1 1 74 74 THR HG22 H 1 1.142 0.001 . . . . . A 69 THR HG2# . 19638 1 448 . 1 1 74 74 THR HG23 H 1 1.142 0.001 . . . . . A 69 THR HG2# . 19638 1 449 . 1 1 75 75 ASN H H 1 6.715 0.002 . . . . . A 70 ASN H . 19638 1 450 . 1 1 75 75 ASN HA H 1 5.027 0.001 . . . . . A 70 ASN HA . 19638 1 451 . 1 1 75 75 ASN HB2 H 1 3.257 0.02 . . . . . A 70 ASN HB2 . 19638 1 452 . 1 1 75 75 ASN HB3 H 1 3.044 0.006 . . . . . A 70 ASN HB3 . 19638 1 453 . 1 1 75 75 ASN HD21 H 1 7.009 0 . . . . . A 70 ASN HD21 . 19638 1 454 . 1 1 76 76 PRO HA H 1 5.961 0.007 . . . . . A 71 PRO HA . 19638 1 455 . 1 1 76 76 PRO HB2 H 1 5.381 0.007 . . . . . A 71 PRO HB2 . 19638 1 456 . 1 1 76 76 PRO HB3 H 1 4.997 0.004 . . . . . A 71 PRO HB3 . 19638 1 457 . 1 1 76 76 PRO HG2 H 1 4.542 0.06 . . . . . A 71 PRO HG2 . 19638 1 458 . 1 1 76 76 PRO HD2 H 1 3.923 0.011 . . . . . A 71 PRO HD2 . 19638 1 459 . 1 1 76 76 PRO HD3 H 1 2.772 0 . . . . . A 71 PRO HD3 . 19638 1 460 . 1 1 77 77 ALA H H 1 9.052 0.002 . . . . . A 72 ALA H . 19638 1 461 . 1 1 77 77 ALA HA H 1 5.125 0.002 . . . . . A 72 ALA HA . 19638 1 462 . 1 1 77 77 ALA HB1 H 1 2.112 0.001 . . . . . A 72 ALA HB# . 19638 1 463 . 1 1 77 77 ALA HB2 H 1 2.112 0.001 . . . . . A 72 ALA HB# . 19638 1 464 . 1 1 77 77 ALA HB3 H 1 2.112 0.001 . . . . . A 72 ALA HB# . 19638 1 465 . 1 1 78 78 LYS H H 1 7.914 0.009 . . . . . A 73 LYS H . 19638 1 466 . 1 1 78 78 LYS HA H 1 4.569 0.003 . . . . . A 73 LYS HA . 19638 1 467 . 1 1 78 78 LYS HB2 H 1 2.187 0.005 . . . . . A 73 LYS HB2 . 19638 1 468 . 1 1 78 78 LYS HB3 H 1 2.098 0.001 . . . . . A 73 LYS HB3 . 19638 1 469 . 1 1 78 78 LYS HG2 H 1 1.679 0.004 . . . . . A 73 LYS HG# . 19638 1 470 . 1 1 78 78 LYS HG3 H 1 1.679 0.004 . . . . . A 73 LYS HG# . 19638 1 471 . 1 1 78 78 LYS HD2 H 1 1.93 0.008 . . . . . A 73 LYS HD# . 19638 1 472 . 1 1 78 78 LYS HD3 H 1 1.93 0.008 . . . . . A 73 LYS HD# . 19638 1 473 . 1 1 79 79 TYR H H 1 8.52 0.006 . . . . . A 74 TYR H . 19638 1 474 . 1 1 79 79 TYR HA H 1 5.027 0.004 . . . . . A 74 TYR HA . 19638 1 475 . 1 1 79 79 TYR HB2 H 1 4.279 0.003 . . . . . A 74 TYR HB2 . 19638 1 476 . 1 1 79 79 TYR HB3 H 1 3.954 0.002 . . . . . A 74 TYR HB3 . 19638 1 477 . 1 1 79 79 TYR HD1 H 1 7.635 0.006 . . . . . A 74 TYR HD# . 19638 1 478 . 1 1 79 79 TYR HD2 H 1 7.635 0.006 . . . . . A 74 TYR HD# . 19638 1 479 . 1 1 79 79 TYR HE1 H 1 7.032 0.009 . . . . . A 74 TYR HE# . 19638 1 480 . 1 1 79 79 TYR HE2 H 1 7.032 0.009 . . . . . A 74 TYR HE# . 19638 1 481 . 1 1 79 79 TYR HH H 1 9.075 0.003 . . . . . A 74 TYR HH . 19638 1 482 . 1 1 80 80 ILE H H 1 9.542 0.005 . . . . . A 75 ILE H . 19638 1 483 . 1 1 80 80 ILE HA H 1 4.661 0.002 . . . . . A 75 ILE HA . 19638 1 484 . 1 1 80 80 ILE HB H 1 3.386 0.007 . . . . . A 75 ILE HB . 19638 1 485 . 1 1 80 80 ILE HG12 H 1 1.498 0.001 . . . . . A 75 ILE HG12 . 19638 1 486 . 1 1 80 80 ILE HG13 H 1 3.212 0.001 . . . . . A 75 ILE HG13 . 19638 1 487 . 1 1 80 80 ILE HG21 H 1 1.152 0.008 . . . . . A 75 ILE HG2# . 19638 1 488 . 1 1 80 80 ILE HG22 H 1 1.152 0.008 . . . . . A 75 ILE HG2# . 19638 1 489 . 1 1 80 80 ILE HG23 H 1 1.152 0.008 . . . . . A 75 ILE HG2# . 19638 1 490 . 1 1 80 80 ILE HD11 H 1 1.867 0.007 . . . . . A 75 ILE HD1# . 19638 1 491 . 1 1 80 80 ILE HD12 H 1 1.867 0.007 . . . . . A 75 ILE HD1# . 19638 1 492 . 1 1 80 80 ILE HD13 H 1 1.867 0.007 . . . . . A 75 ILE HD1# . 19638 1 493 . 1 1 81 81 PRO HA H 1 5.127 0.007 . . . . . A 76 PRO HA . 19638 1 494 . 1 1 81 81 PRO HB2 H 1 2.561 0.004 . . . . . A 76 PRO HB2 . 19638 1 495 . 1 1 81 81 PRO HB3 H 1 2.089 0.005 . . . . . A 76 PRO HB3 . 19638 1 496 . 1 1 81 81 PRO HG2 H 1 2.274 0.003 . . . . . A 76 PRO HG# . 19638 1 497 . 1 1 81 81 PRO HG3 H 1 2.274 0.003 . . . . . A 76 PRO HG# . 19638 1 498 . 1 1 81 81 PRO HD2 H 1 3.729 0.004 . . . . . A 76 PRO HD# . 19638 1 499 . 1 1 81 81 PRO HD3 H 1 3.729 0.004 . . . . . A 76 PRO HD# . 19638 1 500 . 1 1 82 82 GLY H H 1 9.573 0.009 . . . . . A 77 GLY H . 19638 1 501 . 1 1 82 82 GLY HA2 H 1 4.587 0.002 . . . . . A 77 GLY HA2 . 19638 1 502 . 1 1 82 82 GLY HA3 H 1 3.901 0.002 . . . . . A 77 GLY HA3 . 19638 1 503 . 1 1 83 83 THR H H 1 9.274 0.009 . . . . . A 78 THR H . 19638 1 504 . 1 1 83 83 THR HA H 1 5.058 0.003 . . . . . A 78 THR HA . 19638 1 505 . 1 1 83 83 THR HB H 1 5.703 0.003 . . . . . A 78 THR HB . 19638 1 506 . 1 1 83 83 THR HG21 H 1 3.14 0.01 . . . . . A 78 THR HG2# . 19638 1 507 . 1 1 83 83 THR HG22 H 1 3.14 0.01 . . . . . A 78 THR HG2# . 19638 1 508 . 1 1 83 83 THR HG23 H 1 3.14 0.01 . . . . . A 78 THR HG2# . 19638 1 509 . 1 1 84 84 LYS H H 1 8.06 0.012 . . . . . A 79 LYS H . 19638 1 510 . 1 1 84 84 LYS HB3 H 1 1.565 0.005 . . . . . A 79 LYS HB3 . 19638 1 511 . 1 1 84 84 LYS HG2 H 1 1.041 0 . . . . . A 79 LYS HG2 . 19638 1 512 . 1 1 84 84 LYS HG3 H 1 0.221 0 . . . . . A 79 LYS HG3 . 19638 1 513 . 1 1 84 84 LYS HD2 H 1 0.692 0.001 . . . . . A 79 LYS HD# . 19638 1 514 . 1 1 84 84 LYS HD3 H 1 0.692 0.001 . . . . . A 79 LYS HD# . 19638 1 515 . 1 1 84 84 LYS HE2 H 1 2.354 0.004 . . . . . A 79 LYS HE2 . 19638 1 516 . 1 1 84 84 LYS HE3 H 1 2.136 0.005 . . . . . A 79 LYS HE3 . 19638 1 517 . 1 1 85 85 MET H H 1 8.67 0.004 . . . . . A 80 MET H . 19638 1 518 . 1 1 85 85 MET HB2 H 1 -27.312 0 . . . . . A 80 MET HB . 19638 1 519 . 1 1 85 85 MET HB3 H 1 -27.312 0 . . . . . A 80 MET HB . 19638 1 520 . 1 1 86 86 ALA H H 1 8.06 0.008 . . . . . A 81 ALA H . 19638 1 521 . 1 1 86 86 ALA HB1 H 1 1.111 0 . . . . . A 81 ALA HB# . 19638 1 522 . 1 1 86 86 ALA HB2 H 1 1.111 0 . . . . . A 81 ALA HB# . 19638 1 523 . 1 1 86 86 ALA HB3 H 1 1.111 0 . . . . . A 81 ALA HB# . 19638 1 524 . 1 1 87 87 PHE H H 1 8.446 0.002 . . . . . A 82 PHE H . 19638 1 525 . 1 1 87 87 PHE HA H 1 4.562 0.001 . . . . . A 82 PHE HA . 19638 1 526 . 1 1 87 87 PHE HB2 H 1 3.245 0.003 . . . . . A 82 PHE HB2 . 19638 1 527 . 1 1 87 87 PHE HB3 H 1 2.981 0.003 . . . . . A 82 PHE HB3 . 19638 1 528 . 1 1 87 87 PHE HD1 H 1 6.98 0.008 . . . . . A 82 PHE HD# . 19638 1 529 . 1 1 87 87 PHE HD2 H 1 6.98 0.008 . . . . . A 82 PHE HD# . 19638 1 530 . 1 1 87 87 PHE HE1 H 1 6.723 0.011 . . . . . A 82 PHE HE# . 19638 1 531 . 1 1 87 87 PHE HE2 H 1 6.723 0.011 . . . . . A 82 PHE HE# . 19638 1 532 . 1 1 87 87 PHE HZ H 1 6.319 0.234 . . . . . A 82 PHE HZ . 19638 1 533 . 1 1 88 88 GLY H H 1 7.142 0.004 . . . . . A 83 GLY H . 19638 1 534 . 1 1 88 88 GLY HA2 H 1 4.271 0.006 . . . . . A 83 GLY HA# . 19638 1 535 . 1 1 88 88 GLY HA3 H 1 4.271 0.006 . . . . . A 83 GLY HA# . 19638 1 536 . 1 1 89 89 GLY H H 1 8.211 0 . . . . . A 84 GLY H . 19638 1 537 . 1 1 89 89 GLY HA3 H 1 2.973 0.002 . . . . . A 84 GLY HA3 . 19638 1 538 . 1 1 90 90 LEU H H 1 8.16 0.001 . . . . . A 85 LEU H . 19638 1 539 . 1 1 90 90 LEU HA H 1 4.255 0.006 . . . . . A 85 LEU HA . 19638 1 540 . 1 1 90 90 LEU HB2 H 1 1.133 0 . . . . . A 85 LEU HB2 . 19638 1 541 . 1 1 90 90 LEU HB3 H 1 0.721 0.002 . . . . . A 85 LEU HB3 . 19638 1 542 . 1 1 90 90 LEU HG H 1 0.833 0.004 . . . . . A 85 LEU HG . 19638 1 543 . 1 1 90 90 LEU HD11 H 1 0.192 0.011 . . . . . A 85 LEU HD1# . 19638 1 544 . 1 1 90 90 LEU HD12 H 1 0.192 0.011 . . . . . A 85 LEU HD1# . 19638 1 545 . 1 1 90 90 LEU HD13 H 1 0.192 0.011 . . . . . A 85 LEU HD1# . 19638 1 546 . 1 1 90 90 LEU HD21 H 1 0.539 0.009 . . . . . A 85 LEU HD2# . 19638 1 547 . 1 1 90 90 LEU HD22 H 1 0.539 0.009 . . . . . A 85 LEU HD2# . 19638 1 548 . 1 1 90 90 LEU HD23 H 1 0.539 0.009 . . . . . A 85 LEU HD2# . 19638 1 549 . 1 1 91 91 LYS H H 1 8.44 0.002 . . . . . A 86 LYS H . 19638 1 550 . 1 1 91 91 LYS HA H 1 3.955 0.002 . . . . . A 86 LYS HA . 19638 1 551 . 1 1 91 91 LYS HB2 H 1 1.739 0.005 . . . . . A 86 LYS HB# . 19638 1 552 . 1 1 91 91 LYS HB3 H 1 1.739 0.005 . . . . . A 86 LYS HB# . 19638 1 553 . 1 1 91 91 LYS HG2 H 1 1.379 0 . . . . . A 86 LYS HG# . 19638 1 554 . 1 1 91 91 LYS HG3 H 1 1.379 0 . . . . . A 86 LYS HG# . 19638 1 555 . 1 1 91 91 LYS HE2 H 1 2.992 0.006 . . . . . A 86 LYS HE# . 19638 1 556 . 1 1 91 91 LYS HE3 H 1 2.992 0.006 . . . . . A 86 LYS HE# . 19638 1 557 . 1 1 92 92 LYS H H 1 8.8 0.001 . . . . . A 87 LYS H . 19638 1 558 . 1 1 92 92 LYS HA H 1 4.37 0.002 . . . . . A 87 LYS HA . 19638 1 559 . 1 1 92 92 LYS HB2 H 1 1.672 0.008 . . . . . A 87 LYS HB2 . 19638 1 560 . 1 1 92 92 LYS HB3 H 1 1.496 0.004 . . . . . A 87 LYS HB3 . 19638 1 561 . 1 1 92 92 LYS HG2 H 1 1.317 0 . . . . . A 87 LYS HG# . 19638 1 562 . 1 1 92 92 LYS HG3 H 1 1.317 0 . . . . . A 87 LYS HG# . 19638 1 563 . 1 1 92 92 LYS HD2 H 1 1.865 0.005 . . . . . A 87 LYS HD# . 19638 1 564 . 1 1 92 92 LYS HD3 H 1 1.865 0.005 . . . . . A 87 LYS HD# . 19638 1 565 . 1 1 93 93 GLU H H 1 8.971 0.01 . . . . . A 88 GLU H . 19638 1 566 . 1 1 93 93 GLU HA H 1 3.426 0.002 . . . . . A 88 GLU HA . 19638 1 567 . 1 1 93 93 GLU HB2 H 1 2.13 0.001 . . . . . A 88 GLU HB2 . 19638 1 568 . 1 1 93 93 GLU HB3 H 1 1.866 0 . . . . . A 88 GLU HB3 . 19638 1 569 . 1 1 94 94 LYS H H 1 8.679 0.003 . . . . . A 89 LYS H . 19638 1 570 . 1 1 94 94 LYS HA H 1 3.817 0.012 . . . . . A 89 LYS HA . 19638 1 571 . 1 1 94 94 LYS HB2 H 1 1.732 0 . . . . . A 89 LYS HB2 . 19638 1 572 . 1 1 94 94 LYS HB3 H 1 1.58 0.004 . . . . . A 89 LYS HB3 . 19638 1 573 . 1 1 94 94 LYS HG2 H 1 1.349 0.009 . . . . . A 89 LYS HG# . 19638 1 574 . 1 1 94 94 LYS HG3 H 1 1.349 0.009 . . . . . A 89 LYS HG# . 19638 1 575 . 1 1 94 94 LYS HD2 H 1 1.876 0 . . . . . A 89 LYS HD# . 19638 1 576 . 1 1 94 94 LYS HD3 H 1 1.876 0 . . . . . A 89 LYS HD# . 19638 1 577 . 1 1 95 95 ASP H H 1 6.295 0.008 . . . . . A 90 ASP H . 19638 1 578 . 1 1 95 95 ASP HA H 1 4.041 0.002 . . . . . A 90 ASP HA . 19638 1 579 . 1 1 95 95 ASP HB2 H 1 2.704 0.003 . . . . . A 90 ASP HB2 . 19638 1 580 . 1 1 95 95 ASP HB3 H 1 2.256 0.003 . . . . . A 90 ASP HB3 . 19638 1 581 . 1 1 96 96 ARG H H 1 7.285 0.007 . . . . . A 91 ARG H . 19638 1 582 . 1 1 96 96 ARG HA H 1 3.281 0.005 . . . . . A 91 ARG HA . 19638 1 583 . 1 1 96 96 ARG HB2 H 1 1.879 0.003 . . . . . A 91 ARG HB# . 19638 1 584 . 1 1 96 96 ARG HB3 H 1 1.879 0.003 . . . . . A 91 ARG HB# . 19638 1 585 . 1 1 96 96 ARG HD2 H 1 2.958 0.002 . . . . . A 91 ARG HD# . 19638 1 586 . 1 1 96 96 ARG HD3 H 1 2.958 0.002 . . . . . A 91 ARG HD# . 19638 1 587 . 1 1 97 97 ASN H H 1 8.541 0.004 . . . . . A 92 ASN H . 19638 1 588 . 1 1 97 97 ASN HA H 1 3.805 0.007 . . . . . A 92 ASN HA . 19638 1 589 . 1 1 97 97 ASN HB2 H 1 2.824 0.005 . . . . . A 92 ASN HB2 . 19638 1 590 . 1 1 97 97 ASN HB3 H 1 2.606 0.006 . . . . . A 92 ASN HB3 . 19638 1 591 . 1 1 97 97 ASN HD21 H 1 6.958 0.003 . . . . . A 92 ASN HD21 . 19638 1 592 . 1 1 97 97 ASN HD22 H 1 7.202 0.006 . . . . . A 92 ASN HD22 . 19638 1 593 . 1 1 98 98 ASP H H 1 8.518 0.006 . . . . . A 93 ASP H . 19638 1 594 . 1 1 98 98 ASP HA H 1 3.993 0.003 . . . . . A 93 ASP HA . 19638 1 595 . 1 1 98 98 ASP HB2 H 1 2.595 0.004 . . . . . A 93 ASP HB2 . 19638 1 596 . 1 1 98 98 ASP HB3 H 1 2.468 0.003 . . . . . A 93 ASP HB3 . 19638 1 597 . 1 1 99 99 LEU H H 1 8.167 0.005 . . . . . A 94 LEU H . 19638 1 598 . 1 1 99 99 LEU HA H 1 3.778 0.009 . . . . . A 94 LEU HA . 19638 1 599 . 1 1 99 99 LEU HB2 H 1 1.371 0.004 . . . . . A 94 LEU HB2 . 19638 1 600 . 1 1 99 99 LEU HB3 H 1 1.304 0.007 . . . . . A 94 LEU HB3 . 19638 1 601 . 1 1 99 99 LEU HG H 1 0.928 0.05 . . . . . A 94 LEU HG . 19638 1 602 . 1 1 99 99 LEU HD11 H 1 0.033 0.009 . . . . . A 94 LEU HD1# . 19638 1 603 . 1 1 99 99 LEU HD12 H 1 0.033 0.009 . . . . . A 94 LEU HD1# . 19638 1 604 . 1 1 99 99 LEU HD13 H 1 0.033 0.009 . . . . . A 94 LEU HD1# . 19638 1 605 . 1 1 99 99 LEU HD21 H 1 0.359 0.008 . . . . . A 94 LEU HD2# . 19638 1 606 . 1 1 99 99 LEU HD22 H 1 0.359 0.008 . . . . . A 94 LEU HD2# . 19638 1 607 . 1 1 99 99 LEU HD23 H 1 0.359 0.008 . . . . . A 94 LEU HD2# . 19638 1 608 . 1 1 100 100 ILE H H 1 8.718 0.006 . . . . . A 95 ILE H . 19638 1 609 . 1 1 100 100 ILE HA H 1 2.969 0.004 . . . . . A 95 ILE HA . 19638 1 610 . 1 1 100 100 ILE HB H 1 1.735 0.004 . . . . . A 95 ILE HB . 19638 1 611 . 1 1 100 100 ILE HG13 H 1 0.36 0 . . . . . A 95 ILE HG13 . 19638 1 612 . 1 1 100 100 ILE HG21 H 1 0.196 0.01 . . . . . A 95 ILE HG2# . 19638 1 613 . 1 1 100 100 ILE HG22 H 1 0.196 0.01 . . . . . A 95 ILE HG2# . 19638 1 614 . 1 1 100 100 ILE HG23 H 1 0.196 0.01 . . . . . A 95 ILE HG2# . 19638 1 615 . 1 1 100 100 ILE HD11 H 1 0.484 0.004 . . . . . A 95 ILE HD1# . 19638 1 616 . 1 1 100 100 ILE HD12 H 1 0.484 0.004 . . . . . A 95 ILE HD1# . 19638 1 617 . 1 1 100 100 ILE HD13 H 1 0.484 0.004 . . . . . A 95 ILE HD1# . 19638 1 618 . 1 1 101 101 THR H H 1 7.955 0.011 . . . . . A 96 THR H . 19638 1 619 . 1 1 101 101 THR HA H 1 3.661 0.004 . . . . . A 96 THR HA . 19638 1 620 . 1 1 101 101 THR HB H 1 4.285 0.003 . . . . . A 96 THR HB . 19638 1 621 . 1 1 101 101 THR HG21 H 1 1.121 0.003 . . . . . A 96 THR HG2# . 19638 1 622 . 1 1 101 101 THR HG22 H 1 1.121 0.003 . . . . . A 96 THR HG2# . 19638 1 623 . 1 1 101 101 THR HG23 H 1 1.121 0.003 . . . . . A 96 THR HG2# . 19638 1 624 . 1 1 102 102 TYR H H 1 7.619 0.004 . . . . . A 97 TYR H . 19638 1 625 . 1 1 102 102 TYR HA H 1 3.992 0.003 . . . . . A 97 TYR HA . 19638 1 626 . 1 1 102 102 TYR HB2 H 1 3.517 0.008 . . . . . A 97 TYR HB2 . 19638 1 627 . 1 1 102 102 TYR HB3 H 1 2.856 0.001 . . . . . A 97 TYR HB3 . 19638 1 628 . 1 1 102 102 TYR HD2 H 1 6.618 0 . . . . . A 97 TYR HD2 . 19638 1 629 . 1 1 103 103 LEU H H 1 8.933 0.01 . . . . . A 98 LEU H . 19638 1 630 . 1 1 103 103 LEU HA H 1 3.231 0.001 . . . . . A 98 LEU HA . 19638 1 631 . 1 1 103 103 LEU HB3 H 1 1.308 0 . . . . . A 98 LEU HB3 . 19638 1 632 . 1 1 103 103 LEU HG H 1 1.378 0.001 . . . . . A 98 LEU HG . 19638 1 633 . 1 1 103 103 LEU HD11 H 1 -0.117 0.004 . . . . . A 98 LEU HD1# . 19638 1 634 . 1 1 103 103 LEU HD12 H 1 -0.117 0.004 . . . . . A 98 LEU HD1# . 19638 1 635 . 1 1 103 103 LEU HD13 H 1 -0.117 0.004 . . . . . A 98 LEU HD1# . 19638 1 636 . 1 1 103 103 LEU HD21 H 1 0.362 0.007 . . . . . A 98 LEU HD2# . 19638 1 637 . 1 1 103 103 LEU HD22 H 1 0.362 0.007 . . . . . A 98 LEU HD2# . 19638 1 638 . 1 1 103 103 LEU HD23 H 1 0.362 0.007 . . . . . A 98 LEU HD2# . 19638 1 639 . 1 1 104 104 LYS H H 1 8.454 0.003 . . . . . A 99 LYS H . 19638 1 640 . 1 1 104 104 LYS HA H 1 3.492 0.002 . . . . . A 99 LYS HA . 19638 1 641 . 1 1 104 104 LYS HB2 H 1 1.373 0.001 . . . . . A 99 LYS HB2 . 19638 1 642 . 1 1 104 104 LYS HB3 H 1 1.113 0.002 . . . . . A 99 LYS HB3 . 19638 1 643 . 1 1 104 104 LYS HG2 H 1 0.662 0.002 . . . . . A 99 LYS HG# . 19638 1 644 . 1 1 104 104 LYS HG3 H 1 0.662 0.002 . . . . . A 99 LYS HG# . 19638 1 645 . 1 1 104 104 LYS HD2 H 1 0.841 0.001 . . . . . A 99 LYS HD# . 19638 1 646 . 1 1 104 104 LYS HD3 H 1 0.841 0.001 . . . . . A 99 LYS HD# . 19638 1 647 . 1 1 105 105 LYS H H 1 6.501 0.002 . . . . . A 100 LYS H . 19638 1 648 . 1 1 105 105 LYS HA H 1 4.094 0.003 . . . . . A 100 LYS HA . 19638 1 649 . 1 1 105 105 LYS HB3 H 1 1.378 0.001 . . . . . A 100 LYS HB3 . 19638 1 650 . 1 1 105 105 LYS HG2 H 1 1.118 0.006 . . . . . A 100 LYS HG . 19638 1 651 . 1 1 105 105 LYS HG3 H 1 1.118 0.006 . . . . . A 100 LYS HG . 19638 1 652 . 1 1 105 105 LYS HD2 H 1 1.773 0.003 . . . . . A 100 LYS HD2 . 19638 1 653 . 1 1 105 105 LYS HD3 H 1 1.73 0 . . . . . A 100 LYS HD3 . 19638 1 654 . 1 1 106 106 ALA H H 1 8.296 0.008 . . . . . A 101 ALA H . 19638 1 655 . 1 1 106 106 ALA HA H 1 3.955 0.002 . . . . . A 101 ALA HA . 19638 1 656 . 1 1 106 106 ALA HB1 H 1 0.621 0.007 . . . . . A 101 ALA HB# . 19638 1 657 . 1 1 106 106 ALA HB2 H 1 0.621 0.007 . . . . . A 101 ALA HB# . 19638 1 658 . 1 1 106 106 ALA HB3 H 1 0.621 0.007 . . . . . A 101 ALA HB# . 19638 1 659 . 1 1 107 107 THR H H 1 7.33 0.002 . . . . . A 102 THR H . 19638 1 660 . 1 1 107 107 THR HB H 1 4.095 0.003 . . . . . A 102 THR HB . 19638 1 661 . 1 1 107 107 THR HG21 H 1 0.949 0.001 . . . . . A 102 THR HG2# . 19638 1 662 . 1 1 107 107 THR HG22 H 1 0.949 0.001 . . . . . A 102 THR HG2# . 19638 1 663 . 1 1 107 107 THR HG23 H 1 0.949 0.001 . . . . . A 102 THR HG2# . 19638 1 664 . 1 1 108 108 GLU H H 1 6.815 0.002 . . . . . A 103 GLU H . 19638 1 665 . 1 1 108 108 GLU HA H 1 3.981 0 . . . . . A 103 GLU HA . 19638 1 666 . 1 1 108 108 GLU HB2 H 1 2.303 0.003 . . . . . A 103 GLU HB2 . 19638 1 667 . 1 1 108 108 GLU HB3 H 1 1.996 0 . . . . . A 103 GLU HB3 . 19638 1 stop_ save_