################################### # 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 17903 _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' . . . 17903 1 2 '2D 1H-1H NOESY' . . . 17903 1 3 '2D 1H-1H TOCSY' . . . 17903 1 4 '2D DQF-COSY' . . . 17903 1 5 '2D 1H-1H NOESY' . . . 17903 1 6 '2D 1H-1H TOCSY' . . . 17903 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 3 3 PHE H H 1 7.737 0.001 . . . . . A -3 PHE H . 17903 1 2 . 1 1 3 3 PHE HA H 1 4.278 0.002 . . . . . A -3 PHE HA . 17903 1 3 . 1 1 3 3 PHE HB2 H 1 2.615 0.005 . . . . . A -3 PHE HB2 . 17903 1 4 . 1 1 3 3 PHE HB3 H 1 2.825 0.010 . . . . . A -3 PHE HB3 . 17903 1 5 . 1 1 3 3 PHE HD1 H 1 7.019 0.010 . . . . . A -3 PHE HD1 . 17903 1 6 . 1 1 3 3 PHE HE1 H 1 7.197 0.011 . . . . . A -3 PHE HE1 . 17903 1 7 . 1 1 3 3 PHE HZ H 1 7.123 0.003 . . . . . A -3 PHE HZ . 17903 1 8 . 1 1 4 4 LYS H H 1 6.597 0.003 . . . . . A -2 LYS H . 17903 1 9 . 1 1 4 4 LYS HA H 1 3.792 0.001 . . . . . A -2 LYS HA . 17903 1 10 . 1 1 4 4 LYS HB2 H 1 1.277 0.002 . . . . . A -2 LYS HB2 . 17903 1 11 . 1 1 4 4 LYS HG2 H 1 1.128 0.014 . . . . . A -2 LYS HG2 . 17903 1 12 . 1 1 4 4 LYS HD2 H 1 1.388 0.002 . . . . . A -2 LYS HD2 . 17903 1 13 . 1 1 4 4 LYS HE2 H 1 2.811 0.001 . . . . . A -2 LYS HE2 . 17903 1 14 . 1 1 5 5 ALA H H 1 7.737 0.001 . . . . . A -1 ALA H . 17903 1 15 . 1 1 5 5 ALA HA H 1 3.784 0.007 . . . . . A -1 ALA HA . 17903 1 16 . 1 1 5 5 ALA HB1 H 1 1.238 0.003 . . . . . A -1 ALA HB1 . 17903 1 17 . 1 1 5 5 ALA HB2 H 1 1.238 0.003 . . . . . A -1 ALA HB2 . 17903 1 18 . 1 1 5 5 ALA HB3 H 1 1.238 0.003 . . . . . A -1 ALA HB3 . 17903 1 19 . 1 1 6 6 GLY H H 1 8.161 0.004 . . . . . A 1 GLY H . 17903 1 20 . 1 1 6 6 GLY HA2 H 1 4.277 0.011 . . . . . A 1 GLY HA2 . 17903 1 21 . 1 1 6 6 GLY HA3 H 1 3.393 0.000 . . . . . A 1 GLY HA3 . 17903 1 22 . 1 1 7 7 SER H H 1 9.365 0.003 . . . . . A 2 SER H . 17903 1 23 . 1 1 7 7 SER HA H 1 3.982 0.004 . . . . . A 2 SER HA . 17903 1 24 . 1 1 7 7 SER HB2 H 1 3.378 0.018 . . . . . A 2 SER HB2 . 17903 1 25 . 1 1 7 7 SER HB3 H 1 3.567 0.002 . . . . . A 2 SER HB3 . 17903 1 26 . 1 1 8 8 ALA H H 1 8.961 0.012 . . . . . A 3 ALA H . 17903 1 27 . 1 1 8 8 ALA HA H 1 4.116 0.008 . . . . . A 3 ALA HA . 17903 1 28 . 1 1 8 8 ALA HB1 H 1 1.539 0.002 . . . . . A 3 ALA HB1 . 17903 1 29 . 1 1 8 8 ALA HB2 H 1 1.539 0.002 . . . . . A 3 ALA HB2 . 17903 1 30 . 1 1 8 8 ALA HB3 H 1 1.539 0.002 . . . . . A 3 ALA HB3 . 17903 1 31 . 1 1 9 9 LYS H H 1 8.198 0.005 . . . . . A 4 LYS H . 17903 1 32 . 1 1 9 9 LYS HA H 1 4.325 0.004 . . . . . A 4 LYS HA . 17903 1 33 . 1 1 9 9 LYS HB2 H 1 1.657 0.000 . . . . . A 4 LYS HB2 . 17903 1 34 . 1 1 9 9 LYS HG2 H 1 1.281 0.000 . . . . . A 4 LYS HG2 . 17903 1 35 . 1 1 9 9 LYS HE2 H 1 2.869 0.015 . . . . . A 4 LYS HE2 . 17903 1 36 . 1 1 9 9 LYS HE3 H 1 2.798 0.000 . . . . . A 4 LYS HE3 . 17903 1 37 . 1 1 10 10 LYS H H 1 7.710 0.003 . . . . . A 5 LYS H . 17903 1 38 . 1 1 10 10 LYS HA H 1 4.032 0.003 . . . . . A 5 LYS HA . 17903 1 39 . 1 1 10 10 LYS HB2 H 1 1.448 0.001 . . . . . A 5 LYS HB2 . 17903 1 40 . 1 1 10 10 LYS HB3 H 1 1.680 0.002 . . . . . A 5 LYS HB3 . 17903 1 41 . 1 1 10 10 LYS HG2 H 1 0.932 0.002 . . . . . A 5 LYS HG2 . 17903 1 42 . 1 1 11 11 GLY H H 1 8.619 0.008 . . . . . A 6 GLY H . 17903 1 43 . 1 1 11 11 GLY HA2 H 1 3.836 0.006 . . . . . A 6 GLY HA2 . 17903 1 44 . 1 1 11 11 GLY HA3 H 1 4.012 0.004 . . . . . A 6 GLY HA3 . 17903 1 45 . 1 1 12 12 ALA H H 1 7.907 0.007 . . . . . A 7 ALA H . 17903 1 46 . 1 1 12 12 ALA HA H 1 2.184 0.002 . . . . . A 7 ALA HA . 17903 1 47 . 1 1 12 12 ALA HB1 H 1 1.111 0.003 . . . . . A 7 ALA HB1 . 17903 1 48 . 1 1 12 12 ALA HB2 H 1 1.111 0.003 . . . . . A 7 ALA HB2 . 17903 1 49 . 1 1 12 12 ALA HB3 H 1 1.111 0.003 . . . . . A 7 ALA HB3 . 17903 1 50 . 1 1 13 13 THR H H 1 7.159 0.008 . . . . . A 8 THR H . 17903 1 51 . 1 1 13 13 THR HA H 1 4.095 0.006 . . . . . A 8 THR HA . 17903 1 52 . 1 1 13 13 THR HB H 1 3.801 0.005 . . . . . A 8 THR HB . 17903 1 53 . 1 1 13 13 THR HG21 H 1 1.166 0.003 . . . . . A 8 THR HG21 . 17903 1 54 . 1 1 13 13 THR HG22 H 1 1.166 0.003 . . . . . A 8 THR HG22 . 17903 1 55 . 1 1 13 13 THR HG23 H 1 1.166 0.003 . . . . . A 8 THR HG23 . 17903 1 56 . 1 1 14 14 LEU H H 1 7.867 0.005 . . . . . A 9 LEU H . 17903 1 57 . 1 1 14 14 LEU HA H 1 3.744 0.006 . . . . . A 9 LEU HA . 17903 1 58 . 1 1 14 14 LEU HB3 H 1 1.739 0.004 . . . . . A 9 LEU HB3 . 17903 1 59 . 1 1 14 14 LEU HG H 1 1.450 0.008 . . . . . A 9 LEU HG . 17903 1 60 . 1 1 14 14 LEU HD11 H 1 0.475 0.000 . . . . . A 9 LEU HD11 . 17903 1 61 . 1 1 14 14 LEU HD12 H 1 0.475 0.000 . . . . . A 9 LEU HD12 . 17903 1 62 . 1 1 14 14 LEU HD13 H 1 0.475 0.000 . . . . . A 9 LEU HD13 . 17903 1 63 . 1 1 14 14 LEU HD21 H 1 0.762 0.012 . . . . . A 9 LEU HD21 . 17903 1 64 . 1 1 14 14 LEU HD22 H 1 0.762 0.012 . . . . . A 9 LEU HD22 . 17903 1 65 . 1 1 14 14 LEU HD23 H 1 0.762 0.012 . . . . . A 9 LEU HD23 . 17903 1 66 . 1 1 15 15 PHE H H 1 8.400 0.005 . . . . . A 10 PHE H . 17903 1 67 . 1 1 15 15 PHE HA H 1 3.778 0.011 . . . . . A 10 PHE HA . 17903 1 68 . 1 1 15 15 PHE HB2 H 1 3.160 0.005 . . . . . A 10 PHE HB2 . 17903 1 69 . 1 1 15 15 PHE HB3 H 1 2.658 0.004 . . . . . A 10 PHE HB3 . 17903 1 70 . 1 1 15 15 PHE HD2 H 1 7.162 0.009 . . . . . A 10 PHE HD2 . 17903 1 71 . 1 1 15 15 PHE HE2 H 1 7.812 0.009 . . . . . A 10 PHE HE2 . 17903 1 72 . 1 1 15 15 PHE HZ H 1 8.493 0.06 . . . . . A 10 PHE HZ . 17903 1 73 . 1 1 16 16 LYS H H 1 8.101 0.012 . . . . . A 11 LYS H . 17903 1 74 . 1 1 16 16 LYS HA H 1 4.240 0.007 . . . . . A 11 LYS HA . 17903 1 75 . 1 1 16 16 LYS HB2 H 1 1.829 0.008 . . . . . A 11 LYS HB2 . 17903 1 76 . 1 1 16 16 LYS HB3 H 1 2.175 0.006 . . . . . A 11 LYS HB3 . 17903 1 77 . 1 1 16 16 LYS HG2 H 1 1.476 0.009 . . . . . A 11 LYS HG2 . 17903 1 78 . 1 1 16 16 LYS HE2 H 1 3.101 0.000 . . . . . A 11 LYS HE2 . 17903 1 79 . 1 1 17 17 THR H H 1 7.740 0.003 . . . . . A 12 THR H . 17903 1 80 . 1 1 17 17 THR HA H 1 4.240 0.002 . . . . . A 12 THR HA . 17903 1 81 . 1 1 17 17 THR HB H 1 4.038 0.004 . . . . . A 12 THR HB . 17903 1 82 . 1 1 17 17 THR HG21 H 1 1.268 0.003 . . . . . A 12 THR HG21 . 17903 1 83 . 1 1 17 17 THR HG22 H 1 1.268 0.003 . . . . . A 12 THR HG22 . 17903 1 84 . 1 1 17 17 THR HG23 H 1 1.268 0.003 . . . . . A 12 THR HG23 . 17903 1 85 . 1 1 18 18 ARG H H 1 8.200 0.003 . . . . . A 13 ARG H . 17903 1 86 . 1 1 18 18 ARG HA H 1 4.557 0.004 . . . . . A 13 ARG HA . 17903 1 87 . 1 1 18 18 ARG HB2 H 1 1.087 0.006 . . . . . A 13 ARG HB2 . 17903 1 88 . 1 1 18 18 ARG HB3 H 1 1.374 0.009 . . . . . A 13 ARG HB3 . 17903 1 89 . 1 1 18 18 ARG HG2 H 1 1.733 0.001 . . . . . A 13 ARG HG2 . 17903 1 90 . 1 1 18 18 ARG HG3 H 1 1.264 0.008 . . . . . A 13 ARG HG3 . 17903 1 91 . 1 1 19 19 CYS H H 1 7.743 0.006 . . . . . A 14 CYS H . 17903 1 92 . 1 1 19 19 CYS HA H 1 1.474 0.003 . . . . . A 14 CYS HA . 17903 1 93 . 1 1 19 19 CYS HB2 H 1 2.933 0.007 . . . . . A 14 CYS HB2 . 17903 1 94 . 1 1 19 19 CYS HB3 H 1 2.814 0.002 . . . . . A 14 CYS HB3 . 17903 1 95 . 1 1 20 20 LEU H H 1 8.143 0.003 . . . . . A 15 LEU H . 17903 1 96 . 1 1 20 20 LEU HA H 1 6.244 0.002 . . . . . A 15 LEU HA . 17903 1 97 . 1 1 20 20 LEU HB2 H 1 2.918 0.003 . . . . . A 15 LEU HB2 . 17903 1 98 . 1 1 20 20 LEU HB3 H 1 3.242 0.009 . . . . . A 15 LEU HB3 . 17903 1 99 . 1 1 20 20 LEU HG H 1 2.364 0.004 . . . . . A 15 LEU HG . 17903 1 100 . 1 1 20 20 LEU HD11 H 1 2.019 0.010 . . . . . A 15 LEU HD11 . 17903 1 101 . 1 1 20 20 LEU HD12 H 1 2.019 0.010 . . . . . A 15 LEU HD12 . 17903 1 102 . 1 1 20 20 LEU HD13 H 1 2.019 0.010 . . . . . A 15 LEU HD13 . 17903 1 103 . 1 1 20 20 LEU HD21 H 1 1.435 0.039 . . . . . A 15 LEU HD21 . 17903 1 104 . 1 1 20 20 LEU HD22 H 1 1.435 0.039 . . . . . A 15 LEU HD22 . 17903 1 105 . 1 1 20 20 LEU HD23 H 1 1.435 0.039 . . . . . A 15 LEU HD23 . 17903 1 106 . 1 1 21 21 GLN H H 1 9.961 0.001 . . . . . A 16 GLN H . 17903 1 107 . 1 1 21 21 GLN HA H 1 4.832 0.000 . . . . . A 16 GLN HA . 17903 1 108 . 1 1 21 21 GLN HB2 H 1 2.677 0.002 . . . . . A 16 GLN HB2 . 17903 1 109 . 1 1 21 21 GLN HG2 H 1 2.831 0.000 . . . . . A 16 GLN HG2 . 17903 1 110 . 1 1 21 21 GLN HG3 H 1 2.945 0.003 . . . . . A 16 GLN HG3 . 17903 1 111 . 1 1 21 21 GLN HE21 H 1 6.930 0.000 . . . . . A 16 GLN HE21 . 17903 1 112 . 1 1 21 21 GLN HE22 H 1 7.439 0.000 . . . . . A 16 GLN HE22 . 17903 1 113 . 1 1 22 22 CYS H H 1 9.961 0.009 . . . . . A 17 CYS H . 17903 1 114 . 1 1 22 22 CYS HA H 1 5.661 0.004 . . . . . A 17 CYS HA . 17903 1 115 . 1 1 22 22 CYS HB2 H 1 2.220 0.007 . . . . . A 17 CYS HB2 . 17903 1 116 . 1 1 22 22 CYS HB3 H 1 2.491 0.009 . . . . . A 17 CYS HB3 . 17903 1 117 . 1 1 23 23 HIS H H 1 10.592 0.017 . . . . . A 18 HIS H . 17903 1 118 . 1 1 23 23 HIS HA H 1 8.523 0.009 . . . . . A 18 HIS HA . 17903 1 119 . 1 1 23 23 HIS HB2 H 1 9.167 0.009 . . . . . A 18 HIS HB2 . 17903 1 120 . 1 1 23 23 HIS HB3 H 1 13.912 0.011 . . . . . A 18 HIS HB3 . 17903 1 121 . 1 1 23 23 HIS HD1 H 1 12.190 0.009 . . . . . A 18 HIS HD1 . 17903 1 122 . 1 1 23 23 HIS HD2 H 1 19.304 0.012 . . . . . A 18 HIS HD2 . 17903 1 123 . 1 1 23 23 HIS HE1 H 1 -11.98 0.000 . . . . . A 18 HIS HE1 . 17903 1 124 . 1 1 24 24 THR H H 1 10.271 0.010 . . . . . A 19 THR H . 17903 1 125 . 1 1 24 24 THR HA H 1 6.076 0.011 . . . . . A 19 THR HA . 17903 1 126 . 1 1 24 24 THR HB H 1 5.401 0.009 . . . . . A 19 THR HB . 17903 1 127 . 1 1 24 24 THR HG21 H 1 2.158 0.008 . . . . . A 19 THR HG21 . 17903 1 128 . 1 1 24 24 THR HG22 H 1 2.158 0.008 . . . . . A 19 THR HG22 . 17903 1 129 . 1 1 24 24 THR HG23 H 1 2.158 0.008 . . . . . A 19 THR HG23 . 17903 1 130 . 1 1 25 25 VAL H H 1 9.167 0.013 . . . . . A 20 VAL H . 17903 1 131 . 1 1 25 25 VAL HA H 1 4.851 0.011 . . . . . A 20 VAL HA . 17903 1 132 . 1 1 25 25 VAL HB H 1 2.168 0.007 . . . . . A 20 VAL HB . 17903 1 133 . 1 1 25 25 VAL HG11 H 1 0.445 0.011 . . . . . A 20 VAL HG11 . 17903 1 134 . 1 1 25 25 VAL HG12 H 1 0.445 0.011 . . . . . A 20 VAL HG12 . 17903 1 135 . 1 1 25 25 VAL HG13 H 1 0.445 0.011 . . . . . A 20 VAL HG13 . 17903 1 136 . 1 1 25 25 VAL HG21 H 1 0.753 0.010 . . . . . A 20 VAL HG21 . 17903 1 137 . 1 1 25 25 VAL HG22 H 1 0.753 0.010 . . . . . A 20 VAL HG22 . 17903 1 138 . 1 1 25 25 VAL HG23 H 1 0.753 0.010 . . . . . A 20 VAL HG23 . 17903 1 139 . 1 1 26 26 GLU H H 1 9.353 0.011 . . . . . A 21 GLU H . 17903 1 140 . 1 1 26 26 GLU HA H 1 4.468 0.013 . . . . . A 21 GLU HA . 17903 1 141 . 1 1 26 26 GLU HB2 H 1 2.193 0.008 . . . . . A 21 GLU HB2 . 17903 1 142 . 1 1 26 26 GLU HB3 H 1 2.400 0.001 . . . . . A 21 GLU HB3 . 17903 1 143 . 1 1 26 26 GLU HG2 H 1 2.646 0.009 . . . . . A 21 GLU HG2 . 17903 1 144 . 1 1 26 26 GLU HG3 H 1 2.800 0.013 . . . . . A 21 GLU HG3 . 17903 1 145 . 1 1 27 27 LYS H H 1 9.566 0.012 . . . . . A 22 LYS H . 17903 1 146 . 1 1 27 27 LYS HA H 1 3.797 0.005 . . . . . A 22 LYS HA . 17903 1 147 . 1 1 27 27 LYS HB2 H 1 1.792 0.000 . . . . . A 22 LYS HB2 . 17903 1 148 . 1 1 27 27 LYS HG2 H 1 1.125 0.000 . . . . . A 22 LYS HG2 . 17903 1 149 . 1 1 27 27 LYS HG3 H 1 1.297 0.000 . . . . . A 22 LYS HG3 . 17903 1 150 . 1 1 27 27 LYS HD2 H 1 1.545 0.000 . . . . . A 22 LYS HD2 . 17903 1 151 . 1 1 28 28 GLY H H 1 9.546 0.008 . . . . . A 23 GLY H . 17903 1 152 . 1 1 28 28 GLY HA2 H 1 3.803 0.010 . . . . . A 23 GLY HA2 . 17903 1 153 . 1 1 28 28 GLY HA3 H 1 4.093 0.009 . . . . . A 23 GLY HA3 . 17903 1 154 . 1 1 29 29 GLY H H 1 8.353 0.012 . . . . . A 24 GLY H . 17903 1 155 . 1 1 29 29 GLY HA2 H 1 3.776 0.022 . . . . . A 24 GLY HA2 . 17903 1 156 . 1 1 29 29 GLY HA3 H 1 4.374 0.014 . . . . . A 24 GLY HA3 . 17903 1 157 . 1 1 30 30 PRO HA H 1 4.557 0.009 . . . . . A 25 PRO HA . 17903 1 158 . 1 1 30 30 PRO HB2 H 1 2.191 0.019 . . . . . A 25 PRO HB2 . 17903 1 159 . 1 1 30 30 PRO HB3 H 1 2.336 0.021 . . . . . A 25 PRO HB3 . 17903 1 160 . 1 1 30 30 PRO HG2 H 1 1.919 0.000 . . . . . A 25 PRO HG2 . 17903 1 161 . 1 1 30 30 PRO HG3 H 1 2.054 0.018 . . . . . A 25 PRO HG3 . 17903 1 162 . 1 1 30 30 PRO HD2 H 1 3.466 0.012 . . . . . A 25 PRO HD2 . 17903 1 163 . 1 1 31 31 HIS HA H 1 4.856 0.024 . . . . . A 26 HIS HA . 17903 1 164 . 1 1 31 31 HIS HB2 H 1 2.815 0.021 . . . . . A 26 HIS HB2 . 17903 1 165 . 1 1 31 31 HIS HB3 H 1 3.020 0.055 . . . . . A 26 HIS HB3 . 17903 1 166 . 1 1 31 31 HIS HD2 H 1 7.186 0.012 . . . . . A 26 HIS HD2 . 17903 1 167 . 1 1 31 31 HIS HE2 H 1 7.721 0.013 . . . . . A 26 HIS HE2 . 17903 1 168 . 1 1 32 32 LYS H H 1 8.395 0.012 . . . . . A 27 LYS H . 17903 1 169 . 1 1 32 32 LYS HB2 H 1 1.805 0.011 . . . . . A 27 LYS HB2 . 17903 1 170 . 1 1 32 32 LYS HB3 H 1 2.367 0.000 . . . . . A 27 LYS HB3 . 17903 1 171 . 1 1 32 32 LYS HG2 H 1 1.231 0.005 . . . . . A 27 LYS HG2 . 17903 1 172 . 1 1 33 33 VAL H H 1 7.759 0.007 . . . . . A 28 VAL H . 17903 1 173 . 1 1 33 33 VAL HA H 1 3.315 0.006 . . . . . A 28 VAL HA . 17903 1 174 . 1 1 33 33 VAL HB H 1 1.371 0.018 . . . . . A 28 VAL HB . 17903 1 175 . 1 1 33 33 VAL HG11 H 1 -0.623 0.012 . . . . . A 28 VAL HG11 . 17903 1 176 . 1 1 33 33 VAL HG12 H 1 -0.623 0.012 . . . . . A 28 VAL HG12 . 17903 1 177 . 1 1 33 33 VAL HG13 H 1 -0.623 0.012 . . . . . A 28 VAL HG13 . 17903 1 178 . 1 1 33 33 VAL HG21 H 1 0.808 0.016 . . . . . A 28 VAL HG21 . 17903 1 179 . 1 1 33 33 VAL HG22 H 1 0.808 0.016 . . . . . A 28 VAL HG22 . 17903 1 180 . 1 1 33 33 VAL HG23 H 1 0.808 0.016 . . . . . A 28 VAL HG23 . 17903 1 181 . 1 1 34 34 GLY H H 1 7.665 0.014 . . . . . A 29 GLY H . 17903 1 182 . 1 1 34 34 GLY HA2 H 1 -2.778 0.019 . . . . . A 29 GLY HA2 . 17903 1 183 . 1 1 34 34 GLY HA3 H 1 -0.273 0.016 . . . . . A 29 GLY HA3 . 17903 1 184 . 1 1 35 35 PRO HA H 1 3.934 0.021 . . . . . A 30 PRO HA . 17903 1 185 . 1 1 35 35 PRO HB2 H 1 -0.244 0.031 . . . . . A 30 PRO HB2 . 17903 1 186 . 1 1 35 35 PRO HB3 H 1 1.340 0.025 . . . . . A 30 PRO HB3 . 17903 1 187 . 1 1 35 35 PRO HG2 H 1 -0.634 0.035 . . . . . A 30 PRO HG2 . 17903 1 188 . 1 1 35 35 PRO HD2 H 1 -0.758 0.023 . . . . . A 30 PRO HD2 . 17903 1 189 . 1 1 35 35 PRO HD3 H 1 -3.078 0.008 . . . . . A 30 PRO HD3 . 17903 1 190 . 1 1 36 36 ASN H H 1 9.976 0.010 . . . . . A 31 ASN H . 17903 1 191 . 1 1 36 36 ASN HA H 1 6.160 0.018 . . . . . A 31 ASN HA . 17903 1 192 . 1 1 36 36 ASN HB2 H 1 2.477 0.005 . . . . . A 31 ASN HB2 . 17903 1 193 . 1 1 36 36 ASN HB3 H 1 2.954 0.010 . . . . . A 31 ASN HB3 . 17903 1 194 . 1 1 36 36 ASN HD21 H 1 8.029 0.011 . . . . . A 31 ASN HD21 . 17903 1 195 . 1 1 36 36 ASN HD22 H 1 8.337 0.011 . . . . . A 31 ASN HD22 . 17903 1 196 . 1 1 37 37 LEU H H 1 9.635 0.018 . . . . . A 32 LEU H . 17903 1 197 . 1 1 37 37 LEU HA H 1 4.760 0.009 . . . . . A 32 LEU HA . 17903 1 198 . 1 1 37 37 LEU HB2 H 1 1.992 0.011 . . . . . A 32 LEU HB2 . 17903 1 199 . 1 1 37 37 LEU HB3 H 1 2.379 0.008 . . . . . A 32 LEU HB3 . 17903 1 200 . 1 1 37 37 LEU HD11 H 1 0.991 0.013 . . . . . A 32 LEU HD11 . 17903 1 201 . 1 1 37 37 LEU HD12 H 1 0.991 0.013 . . . . . A 32 LEU HD12 . 17903 1 202 . 1 1 37 37 LEU HD13 H 1 0.991 0.013 . . . . . A 32 LEU HD13 . 17903 1 203 . 1 1 37 37 LEU HD21 H 1 0.595 0.011 . . . . . A 32 LEU HD21 . 17903 1 204 . 1 1 37 37 LEU HD22 H 1 0.595 0.011 . . . . . A 32 LEU HD22 . 17903 1 205 . 1 1 37 37 LEU HD23 H 1 0.595 0.011 . . . . . A 32 LEU HD23 . 17903 1 206 . 1 1 38 38 HIS H H 1 7.334 0.015 . . . . . A 33 HIS H . 17903 1 207 . 1 1 38 38 HIS HA H 1 4.285 0.018 . . . . . A 33 HIS HA . 17903 1 208 . 1 1 38 38 HIS HB2 H 1 3.209 0.006 . . . . . A 33 HIS HB2 . 17903 1 209 . 1 1 38 38 HIS HB3 H 1 3.337 0.013 . . . . . A 33 HIS HB3 . 17903 1 210 . 1 1 39 39 GLY H H 1 9.079 0.008 . . . . . A 34 GLY H . 17903 1 211 . 1 1 39 39 GLY HA2 H 1 3.718 0.003 . . . . . A 34 GLY HA2 . 17903 1 212 . 1 1 39 39 GLY HA3 H 1 3.750 0.005 . . . . . A 34 GLY HA3 . 17903 1 213 . 1 1 40 40 ILE H H 1 7.151 0.015 . . . . . A 35 ILE H . 17903 1 214 . 1 1 40 40 ILE HA H 1 3.604 0.008 . . . . . A 35 ILE HA . 17903 1 215 . 1 1 40 40 ILE HB H 1 1.687 0.006 . . . . . A 35 ILE HB . 17903 1 216 . 1 1 40 40 ILE HG13 H 1 0.462 0.007 . . . . . A 35 ILE HG13 . 17903 1 217 . 1 1 40 40 ILE HG21 H 1 0.168 0.018 . . . . . A 35 ILE HG21 . 17903 1 218 . 1 1 40 40 ILE HG22 H 1 0.168 0.018 . . . . . A 35 ILE HG22 . 17903 1 219 . 1 1 40 40 ILE HG23 H 1 0.168 0.018 . . . . . A 35 ILE HG23 . 17903 1 220 . 1 1 40 40 ILE HD11 H 1 0.107 0.017 . . . . . A 35 ILE HD11 . 17903 1 221 . 1 1 40 40 ILE HD12 H 1 0.107 0.017 . . . . . A 35 ILE HD12 . 17903 1 222 . 1 1 40 40 ILE HD13 H 1 0.107 0.017 . . . . . A 35 ILE HD13 . 17903 1 223 . 1 1 41 41 PHE H H 1 7.787 0.015 . . . . . A 36 PHE H . 17903 1 224 . 1 1 41 41 PHE HA H 1 4.144 0.031 . . . . . A 36 PHE HA . 17903 1 225 . 1 1 41 41 PHE HB2 H 1 2.772 0.004 . . . . . A 36 PHE HB2 . 17903 1 226 . 1 1 41 41 PHE HB3 H 1 2.847 0.003 . . . . . A 36 PHE HB3 . 17903 1 227 . 1 1 41 41 PHE HD1 H 1 6.928 0.020 . . . . . A 36 PHE HD1 . 17903 1 228 . 1 1 41 41 PHE HE1 H 1 6.173 0.010 . . . . . A 36 PHE HE1 . 17903 1 229 . 1 1 41 41 PHE HZ H 1 6.262 0.003 . . . . . A 36 PHE HZ . 17903 1 230 . 1 1 42 42 GLY H H 1 8.679 0.011 . . . . . A 37 GLY H . 17903 1 231 . 1 1 42 42 GLY HA2 H 1 3.618 0.012 . . . . . A 37 GLY HA2 . 17903 1 232 . 1 1 42 42 GLY HA3 H 1 4.185 0.002 . . . . . A 37 GLY HA3 . 17903 1 233 . 1 1 43 43 ARG H H 1 7.793 0.016 . . . . . A 38 ARG H . 17903 1 234 . 1 1 43 43 ARG HB2 H 1 1.715 0.014 . . . . . A 38 ARG HB2 . 17903 1 235 . 1 1 43 43 ARG HG2 H 1 1.984 0.012 . . . . . A 38 ARG HG2 . 17903 1 236 . 1 1 43 43 ARG HD2 H 1 3.151 0.001 . . . . . A 38 ARG HD2 . 17903 1 237 . 1 1 43 43 ARG HD3 H 1 3.324 0.000 . . . . . A 38 ARG HD3 . 17903 1 238 . 1 1 44 44 HIS H H 1 8.030 0.008 . . . . . A 39 HIS H . 17903 1 239 . 1 1 44 44 HIS HA H 1 5.100 0.000 . . . . . A 39 HIS HA . 17903 1 240 . 1 1 44 44 HIS HB2 H 1 2.737 0.015 . . . . . A 39 HIS HB2 . 17903 1 241 . 1 1 44 44 HIS HB3 H 1 2.957 0.007 . . . . . A 39 HIS HB3 . 17903 1 242 . 1 1 44 44 HIS HD1 H 1 6.880 0.013 . . . . . A 39 HIS HD1 . 17903 1 243 . 1 1 44 44 HIS HD2 H 1 6.687 0.008 . . . . . A 39 HIS HD2 . 17903 1 244 . 1 1 44 44 HIS HE1 H 1 7.931 0.011 . . . . . A 39 HIS HE1 . 17903 1 245 . 1 1 45 45 SER H H 1 8.708 0.007 . . . . . A 40 SER H . 17903 1 246 . 1 1 45 45 SER HA H 1 4.374 0.017 . . . . . A 40 SER HA . 17903 1 247 . 1 1 45 45 SER HB2 H 1 3.855 0.013 . . . . . A 40 SER HB2 . 17903 1 248 . 1 1 45 45 SER HB3 H 1 4.040 0.017 . . . . . A 40 SER HB3 . 17903 1 249 . 1 1 46 46 GLY H H 1 8.616 0.021 . . . . . A 41 GLY H . 17903 1 250 . 1 1 46 46 GLY HA2 H 1 1.661 0.016 . . . . . A 41 GLY HA2 . 17903 1 251 . 1 1 46 46 GLY HA3 H 1 3.172 0.013 . . . . . A 41 GLY HA3 . 17903 1 252 . 1 1 47 47 GLN H H 1 7.900 0.015 . . . . . A 42 GLN H . 17903 1 253 . 1 1 47 47 GLN HA H 1 4.251 0.004 . . . . . A 42 GLN HA . 17903 1 254 . 1 1 47 47 GLN HB2 H 1 1.711 0.008 . . . . . A 42 GLN HB2 . 17903 1 255 . 1 1 47 47 GLN HB3 H 1 2.362 0.011 . . . . . A 42 GLN HB3 . 17903 1 256 . 1 1 47 47 GLN HG2 H 1 2.117 0.010 . . . . . A 42 GLN HG2 . 17903 1 257 . 1 1 47 47 GLN HG3 H 1 2.201 0.009 . . . . . A 42 GLN HG3 . 17903 1 258 . 1 1 47 47 GLN HE21 H 1 7.199 0.006 . . . . . A 42 GLN HE21 . 17903 1 259 . 1 1 47 47 GLN HE22 H 1 6.671 0.009 . . . . . A 42 GLN HE22 . 17903 1 260 . 1 1 48 48 ALA H H 1 8.191 0.011 . . . . . A 43 ALA H . 17903 1 261 . 1 1 48 48 ALA HA H 1 4.136 0.004 . . . . . A 43 ALA HA . 17903 1 262 . 1 1 48 48 ALA HB1 H 1 1.287 0.011 . . . . . A 43 ALA HB1 . 17903 1 263 . 1 1 48 48 ALA HB2 H 1 1.287 0.011 . . . . . A 43 ALA HB2 . 17903 1 264 . 1 1 48 48 ALA HB3 H 1 1.287 0.011 . . . . . A 43 ALA HB3 . 17903 1 265 . 1 1 49 49 GLU H H 1 8.663 0.011 . . . . . A 44 GLU H . 17903 1 266 . 1 1 49 49 GLU HA H 1 4.145 0.005 . . . . . A 44 GLU HA . 17903 1 267 . 1 1 49 49 GLU HB2 H 1 2.089 0.001 . . . . . A 44 GLU HB2 . 17903 1 268 . 1 1 49 49 GLU HB3 H 1 2.340 0.000 . . . . . A 44 GLU HB3 . 17903 1 269 . 1 1 49 49 GLU HG2 H 1 2.572 0.004 . . . . . A 44 GLU HG2 . 17903 1 270 . 1 1 49 49 GLU HG3 H 1 2.470 0.003 . . . . . A 44 GLU HG3 . 17903 1 271 . 1 1 50 50 GLY H H 1 7.154 0.003 . . . . . A 45 GLY H . 17903 1 272 . 1 1 50 50 GLY HA2 H 1 3.754 0.014 . . . . . A 45 GLY HA2 . 17903 1 273 . 1 1 50 50 GLY HA3 H 1 4.070 0.017 . . . . . A 45 GLY HA3 . 17903 1 274 . 1 1 51 51 TYR H H 1 6.933 0.003 . . . . . A 46 TYR H . 17903 1 275 . 1 1 51 51 TYR HA H 1 3.699 0.024 . . . . . A 46 TYR HA . 17903 1 276 . 1 1 51 51 TYR HB2 H 1 0.767 0.005 . . . . . A 46 TYR HB2 . 17903 1 277 . 1 1 51 51 TYR HB3 H 1 1.766 0.018 . . . . . A 46 TYR HB3 . 17903 1 278 . 1 1 51 51 TYR HD1 H 1 4.546 0.002 . . . . . A 46 TYR HD1 . 17903 1 279 . 1 1 51 51 TYR HD2 H 1 5.843 0.023 . . . . . A 46 TYR HD2 . 17903 1 280 . 1 1 51 51 TYR HE1 H 1 3.491 0.032 . . . . . A 46 TYR HE1 . 17903 1 281 . 1 1 51 51 TYR HE2 H 1 5.223 0.009 . . . . . A 46 TYR HE2 . 17903 1 282 . 1 1 52 52 SER HA H 1 4.100 0.005 . . . . . A 47 SER HA . 17903 1 283 . 1 1 52 52 SER HB2 H 1 3.149 0.009 . . . . . A 47 SER HB2 . 17903 1 284 . 1 1 52 52 SER HB3 H 1 2.960 0.008 . . . . . A 47 SER HB3 . 17903 1 285 . 1 1 53 53 TYR H H 1 7.563 0.016 . . . . . A 48 TYR H . 17903 1 286 . 1 1 53 53 TYR HA H 1 4.111 0.017 . . . . . A 48 TYR HA . 17903 1 287 . 1 1 53 53 TYR HB2 H 1 2.587 0.010 . . . . . A 48 TYR HB2 . 17903 1 288 . 1 1 53 53 TYR HB3 H 1 3.294 0.020 . . . . . A 48 TYR HB3 . 17903 1 289 . 1 1 53 53 TYR HD1 H 1 6.932 0.005 . . . . . A 48 TYR HD1 . 17903 1 290 . 1 1 54 54 THR H H 1 7.989 0.024 . . . . . A 49 THR H . 17903 1 291 . 1 1 54 54 THR HA H 1 4.265 0.005 . . . . . A 49 THR HA . 17903 1 292 . 1 1 54 54 THR HB H 1 4.528 0.015 . . . . . A 49 THR HB . 17903 1 293 . 1 1 54 54 THR HG21 H 1 1.397 0.013 . . . . . A 49 THR HG21 . 17903 1 294 . 1 1 54 54 THR HG22 H 1 1.397 0.013 . . . . . A 49 THR HG22 . 17903 1 295 . 1 1 54 54 THR HG23 H 1 1.397 0.013 . . . . . A 49 THR HG23 . 17903 1 296 . 1 1 55 55 ASP H H 1 8.714 0.015 . . . . . A 50 ASP H . 17903 1 297 . 1 1 55 55 ASP HA H 1 4.316 0.004 . . . . . A 50 ASP HA . 17903 1 298 . 1 1 55 55 ASP HB2 H 1 2.575 0.009 . . . . . A 50 ASP HB2 . 17903 1 299 . 1 1 55 55 ASP HB3 H 1 2.632 0.013 . . . . . A 50 ASP HB3 . 17903 1 300 . 1 1 56 56 ALA H H 1 8.127 0.022 . . . . . A 51 ALA H . 17903 1 301 . 1 1 56 56 ALA HA H 1 4.120 0.005 . . . . . A 51 ALA HA . 17903 1 302 . 1 1 56 56 ALA HB1 H 1 1.737 0.013 . . . . . A 51 ALA HB1 . 17903 1 303 . 1 1 56 56 ALA HB2 H 1 1.737 0.013 . . . . . A 51 ALA HB2 . 17903 1 304 . 1 1 56 56 ALA HB3 H 1 1.737 0.013 . . . . . A 51 ALA HB3 . 17903 1 305 . 1 1 57 57 ASN H H 1 8.407 0.019 . . . . . A 52 ASN H . 17903 1 306 . 1 1 57 57 ASN HA H 1 4.659 0.007 . . . . . A 52 ASN HA . 17903 1 307 . 1 1 57 57 ASN HB2 H 1 3.152 0.011 . . . . . A 52 ASN HB2 . 17903 1 308 . 1 1 57 57 ASN HB3 H 1 3.075 0.015 . . . . . A 52 ASN HB3 . 17903 1 309 . 1 1 57 57 ASN HD21 H 1 6.846 0.022 . . . . . A 52 ASN HD21 . 17903 1 310 . 1 1 57 57 ASN HD22 H 1 7.471 0.022 . . . . . A 52 ASN HD22 . 17903 1 311 . 1 1 58 58 ILE H H 1 7.643 0.018 . . . . . A 53 ILE H . 17903 1 312 . 1 1 58 58 ILE HA H 1 3.697 0.011 . . . . . A 53 ILE HA . 17903 1 313 . 1 1 58 58 ILE HB H 1 1.695 0.013 . . . . . A 53 ILE HB . 17903 1 314 . 1 1 58 58 ILE HG12 H 1 1.096 0.000 . . . . . A 53 ILE HG12 . 17903 1 315 . 1 1 58 58 ILE HG13 H 1 1.239 0.015 . . . . . A 53 ILE HG13 . 17903 1 316 . 1 1 58 58 ILE HG21 H 1 0.989 0.021 . . . . . A 53 ILE HG21 . 17903 1 317 . 1 1 58 58 ILE HG22 H 1 0.989 0.021 . . . . . A 53 ILE HG22 . 17903 1 318 . 1 1 58 58 ILE HG23 H 1 0.989 0.021 . . . . . A 53 ILE HG23 . 17903 1 319 . 1 1 58 58 ILE HD11 H 1 1.056 0.009 . . . . . A 53 ILE HD11 . 17903 1 320 . 1 1 58 58 ILE HD12 H 1 1.056 0.009 . . . . . A 53 ILE HD12 . 17903 1 321 . 1 1 58 58 ILE HD13 H 1 1.056 0.009 . . . . . A 53 ILE HD13 . 17903 1 322 . 1 1 59 59 LYS H H 1 8.948 0.012 . . . . . A 54 LYS H . 17903 1 323 . 1 1 59 59 LYS HA H 1 4.106 0.015 . . . . . A 54 LYS HA . 17903 1 324 . 1 1 59 59 LYS HB2 H 1 1.761 0.008 . . . . . A 54 LYS HB2 . 17903 1 325 . 1 1 59 59 LYS HB3 H 1 1.538 0.005 . . . . . A 54 LYS HB3 . 17903 1 326 . 1 1 59 59 LYS HG2 H 1 1.373 0.002 . . . . . A 54 LYS HG2 . 17903 1 327 . 1 1 60 60 LYS H H 1 7.419 0.001 . . . . . A 55 LYS H . 17903 1 328 . 1 1 60 60 LYS HA H 1 4.036 0.002 . . . . . A 55 LYS HA . 17903 1 329 . 1 1 60 60 LYS HB2 H 1 1.837 0.004 . . . . . A 55 LYS HB2 . 17903 1 330 . 1 1 60 60 LYS HB3 H 1 2.123 0.009 . . . . . A 55 LYS HB3 . 17903 1 331 . 1 1 60 60 LYS HG2 H 1 1.313 0.033 . . . . . A 55 LYS HG2 . 17903 1 332 . 1 1 61 61 ASN H H 1 7.414 0.000 . . . . . A 56 ASN H . 17903 1 333 . 1 1 61 61 ASN HA H 1 4.301 0.014 . . . . . A 56 ASN HA . 17903 1 334 . 1 1 61 61 ASN HB2 H 1 2.270 0.002 . . . . . A 56 ASN HB2 . 17903 1 335 . 1 1 61 61 ASN HB3 H 1 3.326 0.005 . . . . . A 56 ASN HB3 . 17903 1 336 . 1 1 61 61 ASN HD21 H 1 6.404 0.000 . . . . . A 56 ASN HD21 . 17903 1 337 . 1 1 61 61 ASN HD22 H 1 7.190 0.000 . . . . . A 56 ASN HD22 . 17903 1 338 . 1 1 62 62 VAL H H 1 7.776 0.004 . . . . . A 57 VAL H . 17903 1 339 . 1 1 62 62 VAL HA H 1 3.968 0.013 . . . . . A 57 VAL HA . 17903 1 340 . 1 1 62 62 VAL HB H 1 1.453 0.004 . . . . . A 57 VAL HB . 17903 1 341 . 1 1 62 62 VAL HG11 H 1 0.468 0.009 . . . . . A 57 VAL HG11 . 17903 1 342 . 1 1 62 62 VAL HG12 H 1 0.468 0.009 . . . . . A 57 VAL HG12 . 17903 1 343 . 1 1 62 62 VAL HG13 H 1 0.468 0.009 . . . . . A 57 VAL HG13 . 17903 1 344 . 1 1 62 62 VAL HG21 H 1 0.585 0.010 . . . . . A 57 VAL HG21 . 17903 1 345 . 1 1 62 62 VAL HG22 H 1 0.585 0.010 . . . . . A 57 VAL HG22 . 17903 1 346 . 1 1 62 62 VAL HG23 H 1 0.585 0.010 . . . . . A 57 VAL HG23 . 17903 1 347 . 1 1 63 63 LEU H H 1 8.402 0.011 . . . . . A 58 LEU H . 17903 1 348 . 1 1 63 63 LEU HA H 1 3.782 0.010 . . . . . A 58 LEU HA . 17903 1 349 . 1 1 63 63 LEU HB2 H 1 0.680 0.010 . . . . . A 58 LEU HB2 . 17903 1 350 . 1 1 63 63 LEU HB3 H 1 1.416 0.008 . . . . . A 58 LEU HB3 . 17903 1 351 . 1 1 63 63 LEU HG H 1 1.225 0.007 . . . . . A 58 LEU HG . 17903 1 352 . 1 1 63 63 LEU HD11 H 1 0.466 0.008 . . . . . A 58 LEU HD11 . 17903 1 353 . 1 1 63 63 LEU HD12 H 1 0.466 0.008 . . . . . A 58 LEU HD12 . 17903 1 354 . 1 1 63 63 LEU HD13 H 1 0.466 0.008 . . . . . A 58 LEU HD13 . 17903 1 355 . 1 1 63 63 LEU HD21 H 1 0.563 0.011 . . . . . A 58 LEU HD21 . 17903 1 356 . 1 1 63 63 LEU HD22 H 1 0.563 0.011 . . . . . A 58 LEU HD22 . 17903 1 357 . 1 1 63 63 LEU HD23 H 1 0.563 0.011 . . . . . A 58 LEU HD23 . 17903 1 358 . 1 1 64 64 TRP H H 1 7.766 0.013 . . . . . A 59 TRP H . 17903 1 359 . 1 1 64 64 TRP HB2 H 1 2.339 0.016 . . . . . A 59 TRP HB2 . 17903 1 360 . 1 1 64 64 TRP HB3 H 1 3.567 0.025 . . . . . A 59 TRP HB3 . 17903 1 361 . 1 1 64 64 TRP HD1 H 1 6.972 0.037 . . . . . A 59 TRP HD1 . 17903 1 362 . 1 1 64 64 TRP HE1 H 1 7.469 0.033 . . . . . A 59 TRP HE1 . 17903 1 363 . 1 1 64 64 TRP HE3 H 1 6.680 0.018 . . . . . A 59 TRP HE3 . 17903 1 364 . 1 1 64 64 TRP HZ2 H 1 7.086 0.017 . . . . . A 59 TRP HZ2 . 17903 1 365 . 1 1 64 64 TRP HZ3 H 1 6.874 0.011 . . . . . A 59 TRP HZ3 . 17903 1 366 . 1 1 64 64 TRP HH2 H 1 7.156 0.009 . . . . . A 59 TRP HH2 . 17903 1 367 . 1 1 65 65 ASP H H 1 9.950 0.053 . . . . . A 60 ASP H . 17903 1 368 . 1 1 65 65 ASP HA H 1 4.772 0.002 . . . . . A 60 ASP HA . 17903 1 369 . 1 1 65 65 ASP HB2 H 1 2.939 0.003 . . . . . A 60 ASP HB2 . 17903 1 370 . 1 1 65 65 ASP HB3 H 1 2.677 0.002 . . . . . A 60 ASP HB3 . 17903 1 371 . 1 1 66 66 GLU H H 1 10.010 0.004 . . . . . A 61 GLU H . 17903 1 372 . 1 1 66 66 GLU HA H 1 3.300 0.011 . . . . . A 61 GLU HA . 17903 1 373 . 1 1 66 66 GLU HB2 H 1 1.081 0.013 . . . . . A 61 GLU HB2 . 17903 1 374 . 1 1 66 66 GLU HB3 H 1 1.264 0.012 . . . . . A 61 GLU HB3 . 17903 1 375 . 1 1 66 66 GLU HG2 H 1 0.849 0.018 . . . . . A 61 GLU HG2 . 17903 1 376 . 1 1 67 67 ASN H H 1 8.207 0.011 . . . . . A 62 ASN H . 17903 1 377 . 1 1 67 67 ASN HA H 1 4.567 0.004 . . . . . A 62 ASN HA . 17903 1 378 . 1 1 67 67 ASN HB2 H 1 2.890 0.010 . . . . . A 62 ASN HB2 . 17903 1 379 . 1 1 67 67 ASN HB3 H 1 2.937 0.016 . . . . . A 62 ASN HB3 . 17903 1 380 . 1 1 67 67 ASN HD21 H 1 7.136 0.010 . . . . . A 62 ASN HD21 . 17903 1 381 . 1 1 67 67 ASN HD22 H 1 7.777 0.006 . . . . . A 62 ASN HD22 . 17903 1 382 . 1 1 68 68 ASN H H 1 9.442 0.014 . . . . . A 63 ASN H . 17903 1 383 . 1 1 68 68 ASN HA H 1 4.463 0.021 . . . . . A 63 ASN HA . 17903 1 384 . 1 1 68 68 ASN HB2 H 1 2.869 0.021 . . . . . A 63 ASN HB2 . 17903 1 385 . 1 1 68 68 ASN HB3 H 1 3.062 0.014 . . . . . A 63 ASN HB3 . 17903 1 386 . 1 1 68 68 ASN HD21 H 1 7.320 0.001 . . . . . A 63 ASN HD21 . 17903 1 387 . 1 1 68 68 ASN HD22 H 1 7.023 0.014 . . . . . A 63 ASN HD22 . 17903 1 388 . 1 1 69 69 MET H H 1 8.891 0.018 . . . . . A 64 MET H . 17903 1 389 . 1 1 69 69 MET HA H 1 4.330 0.026 . . . . . A 64 MET HA . 17903 1 390 . 1 1 69 69 MET HB2 H 1 2.074 0.011 . . . . . A 64 MET HB2 . 17903 1 391 . 1 1 69 69 MET HB3 H 1 2.341 0.013 . . . . . A 64 MET HB3 . 17903 1 392 . 1 1 69 69 MET HG2 H 1 1.642 0.007 . . . . . A 64 MET HG2 . 17903 1 393 . 1 1 69 69 MET HG3 H 1 1.750 0.015 . . . . . A 64 MET HG3 . 17903 1 394 . 1 1 69 69 MET HE1 H 1 -0.524 0.054 . . . . . A 64 MET HE1 . 17903 1 395 . 1 1 69 69 MET HE2 H 1 -0.524 0.054 . . . . . A 64 MET HE2 . 17903 1 396 . 1 1 69 69 MET HE3 H 1 -0.524 0.054 . . . . . A 64 MET HE3 . 17903 1 397 . 1 1 70 70 SER H H 1 7.660 0.009 . . . . . A 65 SER H . 17903 1 398 . 1 1 70 70 SER HA H 1 3.572 0.026 . . . . . A 65 SER HA . 17903 1 399 . 1 1 70 70 SER HB2 H 1 3.921 0.001 . . . . . A 65 SER HB2 . 17903 1 400 . 1 1 70 70 SER HB3 H 1 3.774 0.000 . . . . . A 65 SER HB3 . 17903 1 401 . 1 1 71 71 GLU H H 1 7.657 0.001 . . . . . A 66 GLU H . 17903 1 402 . 1 1 71 71 GLU HA H 1 3.910 0.003 . . . . . A 66 GLU HA . 17903 1 403 . 1 1 71 71 GLU HB2 H 1 2.010 0.016 . . . . . A 66 GLU HB2 . 17903 1 404 . 1 1 71 71 GLU HG2 H 1 2.318 0.014 . . . . . A 66 GLU HG2 . 17903 1 405 . 1 1 71 71 GLU HG3 H 1 2.343 0.009 . . . . . A 66 GLU HG3 . 17903 1 406 . 1 1 72 72 TYR H H 1 8.935 0.025 . . . . . A 67 TYR H . 17903 1 407 . 1 1 72 72 TYR HA H 1 4.396 0.008 . . . . . A 67 TYR HA . 17903 1 408 . 1 1 72 72 TYR HB2 H 1 2.725 0.020 . . . . . A 67 TYR HB2 . 17903 1 409 . 1 1 72 72 TYR HB3 H 1 2.932 0.012 . . . . . A 67 TYR HB3 . 17903 1 410 . 1 1 72 72 TYR HD1 H 1 7.503 0.024 . . . . . A 67 TYR HD1 . 17903 1 411 . 1 1 72 72 TYR HE1 H 1 7.800 0.021 . . . . . A 67 TYR HE1 . 17903 1 412 . 1 1 73 73 LEU H H 1 8.189 0.014 . . . . . A 68 LEU H . 17903 1 413 . 1 1 73 73 LEU HA H 1 3.752 0.011 . . . . . A 68 LEU HA . 17903 1 414 . 1 1 73 73 LEU HB2 H 1 0.472 0.005 . . . . . A 68 LEU HB2 . 17903 1 415 . 1 1 73 73 LEU HB3 H 1 0.560 0.028 . . . . . A 68 LEU HB3 . 17903 1 416 . 1 1 73 73 LEU HG H 1 0.795 0.026 . . . . . A 68 LEU HG . 17903 1 417 . 1 1 73 73 LEU HD11 H 1 -0.989 0.025 . . . . . A 68 LEU HD11 . 17903 1 418 . 1 1 73 73 LEU HD12 H 1 -0.989 0.025 . . . . . A 68 LEU HD12 . 17903 1 419 . 1 1 73 73 LEU HD13 H 1 -0.989 0.025 . . . . . A 68 LEU HD13 . 17903 1 420 . 1 1 73 73 LEU HD21 H 1 -2.768 0.020 . . . . . A 68 LEU HD21 . 17903 1 421 . 1 1 73 73 LEU HD22 H 1 -2.768 0.020 . . . . . A 68 LEU HD22 . 17903 1 422 . 1 1 73 73 LEU HD23 H 1 -2.768 0.020 . . . . . A 68 LEU HD23 . 17903 1 423 . 1 1 74 74 THR H H 1 7.421 0.008 . . . . . A 69 THR H . 17903 1 424 . 1 1 74 74 THR HA H 1 3.851 0.012 . . . . . A 69 THR HA . 17903 1 425 . 1 1 74 74 THR HB H 1 4.340 0.021 . . . . . A 69 THR HB . 17903 1 426 . 1 1 74 74 THR HG21 H 1 1.200 0.004 . . . . . A 69 THR HG21 . 17903 1 427 . 1 1 74 74 THR HG22 H 1 1.200 0.004 . . . . . A 69 THR HG22 . 17903 1 428 . 1 1 74 74 THR HG23 H 1 1.200 0.004 . . . . . A 69 THR HG23 . 17903 1 429 . 1 1 75 75 ASN H H 1 6.632 0.042 . . . . . A 70 ASN H . 17903 1 430 . 1 1 75 75 ASN HA H 1 5.002 0.009 . . . . . A 70 ASN HA . 17903 1 431 . 1 1 75 75 ASN HB2 H 1 3.349 0.018 . . . . . A 70 ASN HB2 . 17903 1 432 . 1 1 75 75 ASN HB3 H 1 3.469 0.013 . . . . . A 70 ASN HB3 . 17903 1 433 . 1 1 75 75 ASN HD21 H 1 6.671 0.017 . . . . . A 70 ASN HD21 . 17903 1 434 . 1 1 75 75 ASN HD22 H 1 7.437 0.025 . . . . . A 70 ASN HD22 . 17903 1 435 . 1 1 76 76 HIS H H 1 11.262 0.026 . . . . . A 71 HIS H . 17903 1 436 . 1 1 76 76 HIS HA H 1 10.271 0.018 . . . . . A 71 HIS HA . 17903 1 437 . 1 1 76 76 HIS HB2 H 1 8.683 0.345 . . . . . A 71 HIS HB2 . 17903 1 438 . 1 1 76 76 HIS HB3 H 1 7.799 0.050 . . . . . A 71 HIS HB3 . 17903 1 439 . 1 1 76 76 HIS HD1 H 1 17.004 0.018 . . . . . A 71 HIS HD1 . 17903 1 440 . 1 1 76 76 HIS HD2 H 1 30.239 0.020 . . . . . A 71 HIS HD2 . 17903 1 441 . 1 1 77 77 ALA H H 1 9.567 0.021 . . . . . A 72 ALA H . 17903 1 442 . 1 1 77 77 ALA HA H 1 6.225 0.016 . . . . . A 72 ALA HA . 17903 1 443 . 1 1 77 77 ALA HB1 H 1 1.791 0.014 . . . . . A 72 ALA HB1 . 17903 1 444 . 1 1 77 77 ALA HB2 H 1 1.791 0.014 . . . . . A 72 ALA HB2 . 17903 1 445 . 1 1 77 77 ALA HB3 H 1 1.791 0.014 . . . . . A 72 ALA HB3 . 17903 1 446 . 1 1 78 78 LYS H H 1 8.017 0.010 . . . . . A 73 LYS H . 17903 1 447 . 1 1 78 78 LYS HA H 1 4.461 0.002 . . . . . A 73 LYS HA . 17903 1 448 . 1 1 78 78 LYS HB2 H 1 2.030 0.001 . . . . . A 73 LYS HB2 . 17903 1 449 . 1 1 79 79 TYR H H 1 8.270 0.018 . . . . . A 74 TYR H . 17903 1 450 . 1 1 79 79 TYR HA H 1 4.213 0.002 . . . . . A 74 TYR HA . 17903 1 451 . 1 1 79 79 TYR HB2 H 1 3.963 0.000 . . . . . A 74 TYR HB2 . 17903 1 452 . 1 1 79 79 TYR HB3 H 1 4.138 0.013 . . . . . A 74 TYR HB3 . 17903 1 453 . 1 1 79 79 TYR HD1 H 1 7.782 0.002 . . . . . A 74 TYR HD1 . 17903 1 454 . 1 1 79 79 TYR HE1 H 1 7.169 0.008 . . . . . A 74 TYR HE1 . 17903 1 455 . 1 1 80 80 ILE H H 1 9.605 0.001 . . . . . A 75 ILE H . 17903 1 456 . 1 1 80 80 ILE HA H 1 4.755 0.014 . . . . . A 75 ILE HA . 17903 1 457 . 1 1 80 80 ILE HB H 1 3.270 0.013 . . . . . A 75 ILE HB . 17903 1 458 . 1 1 80 80 ILE HG12 H 1 1.568 0.015 . . . . . A 75 ILE HG12 . 17903 1 459 . 1 1 80 80 ILE HG21 H 1 1.268 0.017 . . . . . A 75 ILE HG21 . 17903 1 460 . 1 1 80 80 ILE HG22 H 1 1.268 0.017 . . . . . A 75 ILE HG22 . 17903 1 461 . 1 1 80 80 ILE HG23 H 1 1.268 0.017 . . . . . A 75 ILE HG23 . 17903 1 462 . 1 1 80 80 ILE HD11 H 1 1.977 0.016 . . . . . A 75 ILE HD11 . 17903 1 463 . 1 1 80 80 ILE HD12 H 1 1.977 0.016 . . . . . A 75 ILE HD12 . 17903 1 464 . 1 1 80 80 ILE HD13 H 1 1.977 0.016 . . . . . A 75 ILE HD13 . 17903 1 465 . 1 1 81 81 PRO HA H 1 5.515 0.010 . . . . . A 76 PRO HA . 17903 1 466 . 1 1 81 81 PRO HB2 H 1 1.805 0.000 . . . . . A 76 PRO HB2 . 17903 1 467 . 1 1 81 81 PRO HB3 H 1 2.226 0.000 . . . . . A 76 PRO HB3 . 17903 1 468 . 1 1 81 81 PRO HG2 H 1 1.805 0.000 . . . . . A 76 PRO HG2 . 17903 1 469 . 1 1 81 81 PRO HG3 H 1 1.908 0.000 . . . . . A 76 PRO HG3 . 17903 1 470 . 1 1 81 81 PRO HD2 H 1 3.49 0.003 . . . . . A 76 PRO HD2 . 17903 1 471 . 1 1 82 82 GLY H H 1 9.364 0.002 . . . . . A 77 GLY H . 17903 1 472 . 1 1 82 82 GLY HA2 H 1 3.947 0.000 . . . . . A 77 GLY HA2 . 17903 1 473 . 1 1 83 83 THR H H 1 8.938 0.025 . . . . . A 78 THR H . 17903 1 474 . 1 1 83 83 THR HA H 1 5.970 0.032 . . . . . A 78 THR HA . 17903 1 475 . 1 1 83 83 THR HB H 1 5.565 0.029 . . . . . A 78 THR HB . 17903 1 476 . 1 1 83 83 THR HG21 H 1 2.104 0.001 . . . . . A 78 THR HG21 . 17903 1 477 . 1 1 83 83 THR HG22 H 1 2.104 0.001 . . . . . A 78 THR HG22 . 17903 1 478 . 1 1 83 83 THR HG23 H 1 2.104 0.001 . . . . . A 78 THR HG23 . 17903 1 479 . 1 1 84 84 LYS H H 1 8.058 0.034 . . . . . A 79 LYS H . 17903 1 480 . 1 1 84 84 LYS HB2 H 1 1.380 0.003 . . . . . A 79 LYS HB2 . 17903 1 481 . 1 1 84 84 LYS HB3 H 1 1.654 0.001 . . . . . A 79 LYS HB3 . 17903 1 482 . 1 1 84 84 LYS HG2 H 1 -0.006 0.127 . . . . . A 79 LYS HG2 . 17903 1 483 . 1 1 84 84 LYS HG3 H 1 1.040 0.162 . . . . . A 79 LYS HG3 . 17903 1 484 . 1 1 84 84 LYS HD2 H 1 0.742 0.004 . . . . . A 79 LYS HD2 . 17903 1 485 . 1 1 84 84 LYS HE2 H 1 2.114 0.018 . . . . . A 79 LYS HE2 . 17903 1 486 . 1 1 84 84 LYS HE3 H 1 2.332 0.024 . . . . . A 79 LYS HE3 . 17903 1 487 . 1 1 85 85 MET H H 1 8.681 0.018 . . . . . A 80 MET H . 17903 1 488 . 1 1 85 85 MET HA H 1 4.582 0.018 . . . . . A 80 MET HA . 17903 1 489 . 1 1 85 85 MET HB2 H 1 2.083 0.000 . . . . . A 80 MET HB2 . 17903 1 490 . 1 1 85 85 MET HB3 H 1 1.905 0.000 . . . . . A 80 MET HB3 . 17903 1 491 . 1 1 86 86 ALA H H 1 8.014 0.035 . . . . . A 81 ALA H . 17903 1 492 . 1 1 86 86 ALA HA H 1 5.162 0.000 . . . . . A 81 ALA HA . 17903 1 493 . 1 1 86 86 ALA HB1 H 1 1.246 0.000 . . . . . A 81 ALA HB1 . 17903 1 494 . 1 1 86 86 ALA HB2 H 1 1.246 0.000 . . . . . A 81 ALA HB2 . 17903 1 495 . 1 1 86 86 ALA HB3 H 1 1.246 0.000 . . . . . A 81 ALA HB3 . 17903 1 496 . 1 1 87 87 PHE H H 1 8.708 0.008 . . . . . A 82 PHE H . 17903 1 497 . 1 1 87 87 PHE HA H 1 4.424 0.012 . . . . . A 82 PHE HA . 17903 1 498 . 1 1 87 87 PHE HB2 H 1 2.837 0.024 . . . . . A 82 PHE HB2 . 17903 1 499 . 1 1 87 87 PHE HB3 H 1 3.312 0.009 . . . . . A 82 PHE HB3 . 17903 1 500 . 1 1 87 87 PHE HD2 H 1 6.262 0.005 . . . . . A 82 PHE HD2 . 17903 1 501 . 1 1 87 87 PHE HE1 H 1 6.961 0.014 . . . . . A 82 PHE HE1 . 17903 1 502 . 1 1 87 87 PHE HZ H 1 6.182 0.027 . . . . . A 82 PHE HZ . 17903 1 503 . 1 1 89 89 GLY HA3 H 1 4.328 0.008 . . . . . A 84 GLY HA3 . 17903 1 504 . 1 1 90 90 LEU H H 1 8.409 0.019 . . . . . A 85 LEU H . 17903 1 505 . 1 1 90 90 LEU HA H 1 3.992 0.011 . . . . . A 85 LEU HA . 17903 1 506 . 1 1 90 90 LEU HB2 H 1 0.754 0.010 . . . . . A 85 LEU HB2 . 17903 1 507 . 1 1 90 90 LEU HB3 H 1 1.104 0.010 . . . . . A 85 LEU HB3 . 17903 1 508 . 1 1 90 90 LEU HG H 1 1.061 0.016 . . . . . A 85 LEU HG . 17903 1 509 . 1 1 90 90 LEU HD11 H 1 -0.049 0.009 . . . . . A 85 LEU HD11 . 17903 1 510 . 1 1 90 90 LEU HD12 H 1 -0.049 0.009 . . . . . A 85 LEU HD12 . 17903 1 511 . 1 1 90 90 LEU HD13 H 1 -0.049 0.009 . . . . . A 85 LEU HD13 . 17903 1 512 . 1 1 90 90 LEU HD21 H 1 0.435 0.015 . . . . . A 85 LEU HD21 . 17903 1 513 . 1 1 90 90 LEU HD22 H 1 0.435 0.015 . . . . . A 85 LEU HD22 . 17903 1 514 . 1 1 90 90 LEU HD23 H 1 0.435 0.015 . . . . . A 85 LEU HD23 . 17903 1 515 . 1 1 91 91 LYS H H 1 8.165 0.003 . . . . . A 86 LYS H . 17903 1 516 . 1 1 91 91 LYS HA H 1 3.970 0.062 . . . . . A 86 LYS HA . 17903 1 517 . 1 1 91 91 LYS HB2 H 1 1.875 0.000 . . . . . A 86 LYS HB2 . 17903 1 518 . 1 1 92 92 LYS H H 1 8.256 0.025 . . . . . A 87 LYS H . 17903 1 519 . 1 1 92 92 LYS HA H 1 4.325 0.056 . . . . . A 87 LYS HA . 17903 1 520 . 1 1 92 92 LYS HB2 H 1 1.690 0.010 . . . . . A 87 LYS HB2 . 17903 1 521 . 1 1 92 92 LYS HB3 H 1 1.896 0.004 . . . . . A 87 LYS HB3 . 17903 1 522 . 1 1 92 92 LYS HG2 H 1 1.218 0.000 . . . . . A 87 LYS HG2 . 17903 1 523 . 1 1 93 93 GLU H H 1 8.436 0.006 . . . . . A 88 GLU H . 17903 1 524 . 1 1 93 93 GLU HA H 1 3.335 0.012 . . . . . A 88 GLU HA . 17903 1 525 . 1 1 93 93 GLU HB2 H 1 1.805 0.015 . . . . . A 88 GLU HB2 . 17903 1 526 . 1 1 93 93 GLU HB3 H 1 1.949 0.013 . . . . . A 88 GLU HB3 . 17903 1 527 . 1 1 94 94 LYS H H 1 8.711 0.014 . . . . . A 89 LYS H . 17903 1 528 . 1 1 94 94 LYS HA H 1 3.840 0.004 . . . . . A 89 LYS HA . 17903 1 529 . 1 1 94 94 LYS HB2 H 1 1.604 0.004 . . . . . A 89 LYS HB2 . 17903 1 530 . 1 1 94 94 LYS HB3 H 1 1.751 0.009 . . . . . A 89 LYS HB3 . 17903 1 531 . 1 1 94 94 LYS HG2 H 1 1.393 0.019 . . . . . A 89 LYS HG2 . 17903 1 532 . 1 1 94 94 LYS HE3 H 1 2.831 0.001 . . . . . A 89 LYS HE3 . 17903 1 533 . 1 1 95 95 ASP H H 1 6.317 0.016 . . . . . A 90 ASP H . 17903 1 534 . 1 1 95 95 ASP HA H 1 4.062 0.007 . . . . . A 90 ASP HA . 17903 1 535 . 1 1 95 95 ASP HB2 H 1 2.285 0.008 . . . . . A 90 ASP HB2 . 17903 1 536 . 1 1 95 95 ASP HB3 H 1 2.741 0.009 . . . . . A 90 ASP HB3 . 17903 1 537 . 1 1 96 96 ARG H H 1 7.422 0.017 . . . . . A 91 ARG H . 17903 1 538 . 1 1 96 96 ARG HA H 1 3.416 0.055 . . . . . A 91 ARG HA . 17903 1 539 . 1 1 96 96 ARG HB2 H 1 1.950 0.002 . . . . . A 91 ARG HB2 . 17903 1 540 . 1 1 96 96 ARG HG2 H 1 1.377 0.001 . . . . . A 91 ARG HG2 . 17903 1 541 . 1 1 97 97 ASN H H 1 8.486 0.011 . . . . . A 92 ASN H . 17903 1 542 . 1 1 97 97 ASN HA H 1 3.838 0.009 . . . . . A 92 ASN HA . 17903 1 543 . 1 1 97 97 ASN HB2 H 1 2.641 0.026 . . . . . A 92 ASN HB2 . 17903 1 544 . 1 1 97 97 ASN HB3 H 1 2.818 0.011 . . . . . A 92 ASN HB3 . 17903 1 545 . 1 1 97 97 ASN HD21 H 1 6.941 0.017 . . . . . A 92 ASN HD21 . 17903 1 546 . 1 1 97 97 ASN HD22 H 1 7.201 0.013 . . . . . A 92 ASN HD22 . 17903 1 547 . 1 1 98 98 ASP H H 1 8.620 0.013 . . . . . A 93 ASP H . 17903 1 548 . 1 1 98 98 ASP HA H 1 4.019 0.008 . . . . . A 93 ASP HA . 17903 1 549 . 1 1 98 98 ASP HB2 H 1 2.424 0.017 . . . . . A 93 ASP HB2 . 17903 1 550 . 1 1 99 99 LEU H H 1 8.189 0.013 . . . . . A 94 LEU H . 17903 1 551 . 1 1 99 99 LEU HA H 1 3.636 0.007 . . . . . A 94 LEU HA . 17903 1 552 . 1 1 99 99 LEU HB2 H 1 1.243 0.013 . . . . . A 94 LEU HB2 . 17903 1 553 . 1 1 99 99 LEU HB3 H 1 1.351 0.012 . . . . . A 94 LEU HB3 . 17903 1 554 . 1 1 99 99 LEU HG H 1 1.076 0.009 . . . . . A 94 LEU HG . 17903 1 555 . 1 1 99 99 LEU HD11 H 1 -0.059 0.032 . . . . . A 94 LEU HD11 . 17903 1 556 . 1 1 99 99 LEU HD12 H 1 -0.059 0.032 . . . . . A 94 LEU HD12 . 17903 1 557 . 1 1 99 99 LEU HD13 H 1 -0.059 0.032 . . . . . A 94 LEU HD13 . 17903 1 558 . 1 1 99 99 LEU HD21 H 1 0.436 0.072 . . . . . A 94 LEU HD21 . 17903 1 559 . 1 1 99 99 LEU HD22 H 1 0.436 0.072 . . . . . A 94 LEU HD22 . 17903 1 560 . 1 1 99 99 LEU HD23 H 1 0.436 0.072 . . . . . A 94 LEU HD23 . 17903 1 561 . 1 1 100 100 ILE H H 1 8.672 0.011 . . . . . A 95 ILE H . 17903 1 562 . 1 1 100 100 ILE HA H 1 2.826 0.004 . . . . . A 95 ILE HA . 17903 1 563 . 1 1 100 100 ILE HB H 1 1.696 0.007 . . . . . A 95 ILE HB . 17903 1 564 . 1 1 100 100 ILE HG12 H 1 0.277 0.028 . . . . . A 95 ILE HG12 . 17903 1 565 . 1 1 100 100 ILE HG13 H 1 1.251 0.013 . . . . . A 95 ILE HG13 . 17903 1 566 . 1 1 100 100 ILE HG21 H 1 0.141 0.038 . . . . . A 95 ILE HG21 . 17903 1 567 . 1 1 100 100 ILE HG22 H 1 0.141 0.038 . . . . . A 95 ILE HG22 . 17903 1 568 . 1 1 100 100 ILE HG23 H 1 0.141 0.038 . . . . . A 95 ILE HG23 . 17903 1 569 . 1 1 100 100 ILE HD11 H 1 0.479 0.008 . . . . . A 95 ILE HD11 . 17903 1 570 . 1 1 100 100 ILE HD12 H 1 0.479 0.008 . . . . . A 95 ILE HD12 . 17903 1 571 . 1 1 100 100 ILE HD13 H 1 0.479 0.008 . . . . . A 95 ILE HD13 . 17903 1 572 . 1 1 101 101 THR H H 1 7.928 0.021 . . . . . A 96 THR H . 17903 1 573 . 1 1 101 101 THR HA H 1 3.825 0.025 . . . . . A 96 THR HA . 17903 1 574 . 1 1 101 101 THR HB H 1 4.216 0.011 . . . . . A 96 THR HB . 17903 1 575 . 1 1 101 101 THR HG21 H 1 1.375 0.010 . . . . . A 96 THR HG21 . 17903 1 576 . 1 1 101 101 THR HG22 H 1 1.375 0.010 . . . . . A 96 THR HG22 . 17903 1 577 . 1 1 101 101 THR HG23 H 1 1.375 0.010 . . . . . A 96 THR HG23 . 17903 1 578 . 1 1 102 102 TYR H H 1 7.499 0.022 . . . . . A 97 TYR H . 17903 1 579 . 1 1 102 102 TYR HA H 1 3.981 0.006 . . . . . A 97 TYR HA . 17903 1 580 . 1 1 102 102 TYR HB2 H 1 2.721 0.007 . . . . . A 97 TYR HB2 . 17903 1 581 . 1 1 102 102 TYR HB3 H 1 3.457 0.009 . . . . . A 97 TYR HB3 . 17903 1 582 . 1 1 102 102 TYR HE2 H 1 7.184 0.020 . . . . . A 97 TYR HE2 . 17903 1 583 . 1 1 103 103 LEU H H 1 8.853 0.013 . . . . . A 98 LEU H . 17903 1 584 . 1 1 103 103 LEU HA H 1 2.939 0.006 . . . . . A 98 LEU HA . 17903 1 585 . 1 1 103 103 LEU HB2 H 1 1.729 0.009 . . . . . A 98 LEU HB2 . 17903 1 586 . 1 1 103 103 LEU HG H 1 1.241 0.011 . . . . . A 98 LEU HG . 17903 1 587 . 1 1 103 103 LEU HD11 H 1 0.724 0.008 . . . . . A 98 LEU HD11 . 17903 1 588 . 1 1 103 103 LEU HD12 H 1 0.724 0.008 . . . . . A 98 LEU HD12 . 17903 1 589 . 1 1 103 103 LEU HD13 H 1 0.724 0.008 . . . . . A 98 LEU HD13 . 17903 1 590 . 1 1 103 103 LEU HD21 H 1 1.073 0.030 . . . . . A 98 LEU HD21 . 17903 1 591 . 1 1 103 103 LEU HD22 H 1 1.073 0.030 . . . . . A 98 LEU HD22 . 17903 1 592 . 1 1 103 103 LEU HD23 H 1 1.073 0.030 . . . . . A 98 LEU HD23 . 17903 1 593 . 1 1 104 104 LYS H H 1 8.294 0.019 . . . . . A 99 LYS H . 17903 1 594 . 1 1 104 104 LYS HA H 1 3.286 0.015 . . . . . A 99 LYS HA . 17903 1 595 . 1 1 104 104 LYS HB2 H 1 1.366 0.004 . . . . . A 99 LYS HB2 . 17903 1 596 . 1 1 104 104 LYS HB3 H 1 1.193 0.007 . . . . . A 99 LYS HB3 . 17903 1 597 . 1 1 104 104 LYS HG2 H 1 0.662 0.011 . . . . . A 99 LYS HG2 . 17903 1 598 . 1 1 104 104 LYS HD2 H 1 0.734 0.008 . . . . . A 99 LYS HD2 . 17903 1 599 . 1 1 105 105 LYS H H 1 6.365 0.013 . . . . . A 100 LYS H . 17903 1 600 . 1 1 105 105 LYS HA H 1 4.117 0.003 . . . . . A 100 LYS HA . 17903 1 601 . 1 1 105 105 LYS HB2 H 1 1.694 0.009 . . . . . A 100 LYS HB2 . 17903 1 602 . 1 1 105 105 LYS HB3 H 1 1.337 0.010 . . . . . A 100 LYS HB3 . 17903 1 603 . 1 1 106 106 ALA H H 1 8.188 0.014 . . . . . A 101 ALA H . 17903 1 604 . 1 1 106 106 ALA HA H 1 3.883 0.002 . . . . . A 101 ALA HA . 17903 1 605 . 1 1 106 106 ALA HB1 H 1 0.465 0.000 . . . . . A 101 ALA HB1 . 17903 1 606 . 1 1 106 106 ALA HB2 H 1 0.465 0.000 . . . . . A 101 ALA HB2 . 17903 1 607 . 1 1 106 106 ALA HB3 H 1 0.465 0.000 . . . . . A 101 ALA HB3 . 17903 1 608 . 1 1 107 107 THR H H 1 6.404 0.003 . . . . . A 102 THR H . 17903 1 609 . 1 1 107 107 THR HB H 1 4.133 0.000 . . . . . A 102 THR HB . 17903 1 610 . 1 1 107 107 THR HG21 H 1 1.689 0.000 . . . . . A 102 THR HG21 . 17903 1 611 . 1 1 107 107 THR HG22 H 1 1.689 0.000 . . . . . A 102 THR HG22 . 17903 1 612 . 1 1 107 107 THR HG23 H 1 1.689 0.000 . . . . . A 102 THR HG23 . 17903 1 613 . 1 1 108 108 GLU H H 1 6.743 0.010 . . . . . A 103 GLU H . 17903 1 614 . 1 1 108 108 GLU HA H 1 3.987 0.002 . . . . . A 103 GLU HA . 17903 1 615 . 1 1 108 108 GLU HB2 H 1 1.944 0.019 . . . . . A 103 GLU HB2 . 17903 1 616 . 1 1 108 108 GLU HB3 H 1 2.265 0.007 . . . . . A 103 GLU HB3 . 17903 1 stop_ save_