################################### # 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 16018 _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 1H-1H NOESY' . . . 16018 1 2 '2D 1H-1H TOCSY' . . . 16018 1 3 '2D DQF-COSY' . . . 16018 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $SPARKY . . 16018 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 ALA HA H 1 3.838 0.020 . 1 . . . . . 1 ALA HA . 16018 1 2 . 1 1 1 1 ALA HB1 H 1 1.718 0.020 . 1 . . . . . 1 ALA HB . 16018 1 3 . 1 1 1 1 ALA HB2 H 1 1.718 0.020 . 1 . . . . . 1 ALA HB . 16018 1 4 . 1 1 1 1 ALA HB3 H 1 1.718 0.020 . 1 . . . . . 1 ALA HB . 16018 1 5 . 1 1 2 2 PRO HA H 1 4.900 0.020 . 1 . . . . . 2 PRO HA . 16018 1 6 . 1 1 2 2 PRO HB2 H 1 2.112 0.020 . 2 . . . . . 2 PRO HB2 . 16018 1 7 . 1 1 2 2 PRO HB3 H 1 2.165 0.020 . 2 . . . . . 2 PRO HB3 . 16018 1 8 . 1 1 2 2 PRO HD2 H 1 3.802 0.020 . 2 . . . . . 2 PRO HD2 . 16018 1 9 . 1 1 2 2 PRO HG2 H 1 2.240 0.020 . 2 . . . . . 2 PRO HG2 . 16018 1 10 . 1 1 3 3 ILE H H 1 8.774 0.020 . 1 . . . . . 3 ILE H . 16018 1 11 . 1 1 3 3 ILE HA H 1 5.499 0.020 . 1 . . . . . 3 ILE HA . 16018 1 12 . 1 1 3 3 ILE HB H 1 2.193 0.020 . 1 . . . . . 3 ILE HB . 16018 1 13 . 1 1 3 3 ILE HD11 H 1 1.029 0.020 . 1 . . . . . 3 ILE HD1 . 16018 1 14 . 1 1 3 3 ILE HD12 H 1 1.029 0.020 . 1 . . . . . 3 ILE HD1 . 16018 1 15 . 1 1 3 3 ILE HD13 H 1 1.029 0.020 . 1 . . . . . 3 ILE HD1 . 16018 1 16 . 1 1 3 3 ILE HG12 H 1 1.695 0.020 . 2 . . . . . 3 ILE HG12 . 16018 1 17 . 1 1 3 3 ILE HG21 H 1 1.137 0.020 . 1 . . . . . 3 ILE HG2 . 16018 1 18 . 1 1 3 3 ILE HG22 H 1 1.137 0.020 . 1 . . . . . 3 ILE HG2 . 16018 1 19 . 1 1 3 3 ILE HG23 H 1 1.137 0.020 . 1 . . . . . 3 ILE HG2 . 16018 1 20 . 1 1 4 4 VAL H H 1 9.501 0.020 . 1 . . . . . 4 VAL H . 16018 1 21 . 1 1 4 4 VAL HA H 1 4.944 0.020 . 1 . . . . . 4 VAL HA . 16018 1 22 . 1 1 4 4 VAL HB H 1 1.977 0.020 . 1 . . . . . 4 VAL HB . 16018 1 23 . 1 1 4 4 VAL HG11 H 1 0.931 0.020 . 2 . . . . . 4 VAL HG1 . 16018 1 24 . 1 1 4 4 VAL HG12 H 1 0.931 0.020 . 2 . . . . . 4 VAL HG1 . 16018 1 25 . 1 1 4 4 VAL HG13 H 1 0.931 0.020 . 2 . . . . . 4 VAL HG1 . 16018 1 26 . 1 1 4 4 VAL HG21 H 1 1.121 0.020 . 2 . . . . . 4 VAL HG2 . 16018 1 27 . 1 1 4 4 VAL HG22 H 1 1.121 0.020 . 2 . . . . . 4 VAL HG2 . 16018 1 28 . 1 1 4 4 VAL HG23 H 1 1.121 0.020 . 2 . . . . . 4 VAL HG2 . 16018 1 29 . 1 1 5 5 THR H H 1 9.243 0.020 . 1 . . . . . 5 THR H . 16018 1 30 . 1 1 5 5 THR HA H 1 5.278 0.020 . 1 . . . . . 5 THR HA . 16018 1 31 . 1 1 5 5 THR HB H 1 4.219 0.020 . 1 . . . . . 5 THR HB . 16018 1 32 . 1 1 5 5 THR HG21 H 1 1.269 0.020 . 1 . . . . . 5 THR HG2 . 16018 1 33 . 1 1 5 5 THR HG22 H 1 1.269 0.020 . 1 . . . . . 5 THR HG2 . 16018 1 34 . 1 1 5 5 THR HG23 H 1 1.269 0.020 . 1 . . . . . 5 THR HG2 . 16018 1 35 . 1 1 6 6 CYS H H 1 9.815 0.020 . 1 . . . . . 6 CYSS H . 16018 1 36 . 1 1 6 6 CYS HA H 1 5.310 0.020 . 1 . . . . . 6 CYSS HA . 16018 1 37 . 1 1 6 6 CYS HB2 H 1 3.046 0.020 . 2 . . . . . 6 CYSS HB2 . 16018 1 38 . 1 1 7 7 ARG H H 1 9.154 0.020 . 1 . . . . . 7 ARG H . 16018 1 39 . 1 1 7 7 ARG HB2 H 1 1.569 0.020 . 2 . . . . . 7 ARG HB2 . 16018 1 40 . 1 1 7 7 ARG HG2 H 1 1.443 0.020 . 2 . . . . . 7 ARG HG2 . 16018 1 41 . 1 1 8 8 PRO HA H 1 4.594 0.020 . 1 . . . . . 8 PRO HA . 16018 1 42 . 1 1 8 8 PRO HB2 H 1 1.570 0.020 . 1 . . . . . 8 PRO HB2 . 16018 1 43 . 1 1 8 8 PRO HB3 H 1 1.838 0.020 . 1 . . . . . 8 PRO HB3 . 16018 1 44 . 1 1 8 8 PRO HD2 H 1 3.329 0.020 . 2 . . . . . 8 PRO HD2 . 16018 1 45 . 1 1 8 8 PRO HD3 H 1 3.543 0.020 . 2 . . . . . 8 PRO HD3 . 16018 1 46 . 1 1 8 8 PRO HG2 H 1 1.440 0.020 . 2 . . . . . 8 PRO HG2 . 16018 1 47 . 1 1 9 9 LYS H H 1 8.179 0.020 . 1 . . . . . 9 LYS H . 16018 1 48 . 1 1 9 9 LYS HA H 1 4.857 0.020 . 1 . . . . . 9 LYS HA . 16018 1 49 . 1 1 9 9 LYS HB2 H 1 1.761 0.020 . 2 . . . . . 9 LYS HB2 . 16018 1 50 . 1 1 9 9 LYS HB3 H 1 1.925 0.020 . 2 . . . . . 9 LYS HB3 . 16018 1 51 . 1 1 9 9 LYS HG2 H 1 1.348 0.020 . 2 . . . . . 9 LYS HG2 . 16018 1 52 . 1 1 10 10 LEU H H 1 9.108 0.020 . 1 . . . . . 10 LEU H . 16018 1 53 . 1 1 10 10 LEU HA H 1 5.147 0.020 . 1 . . . . . 10 LEU HA . 16018 1 54 . 1 1 10 10 LEU HB2 H 1 1.969 0.020 . 1 . . . . . 10 LEU HB2 . 16018 1 55 . 1 1 10 10 LEU HB3 H 1 1.692 0.020 . 1 . . . . . 10 LEU HB3 . 16018 1 56 . 1 1 10 10 LEU HD11 H 1 0.948 0.020 . 2 . . . . . 10 LEU HD1 . 16018 1 57 . 1 1 10 10 LEU HD12 H 1 0.948 0.020 . 2 . . . . . 10 LEU HD1 . 16018 1 58 . 1 1 10 10 LEU HD13 H 1 0.948 0.020 . 2 . . . . . 10 LEU HD1 . 16018 1 59 . 1 1 10 10 LEU HD21 H 1 0.986 0.020 . 2 . . . . . 10 LEU HD2 . 16018 1 60 . 1 1 10 10 LEU HD22 H 1 0.986 0.020 . 2 . . . . . 10 LEU HD2 . 16018 1 61 . 1 1 10 10 LEU HD23 H 1 0.986 0.020 . 2 . . . . . 10 LEU HD2 . 16018 1 62 . 1 1 10 10 LEU HG H 1 1.692 0.020 . 1 . . . . . 10 LEU HG . 16018 1 63 . 1 1 11 11 ASP H H 1 9.835 0.020 . 1 . . . . . 11 ASP H . 16018 1 64 . 1 1 11 11 ASP HA H 1 4.471 0.020 . 1 . . . . . 11 ASP HA . 16018 1 65 . 1 1 11 11 ASP HB2 H 1 2.870 0.020 . 2 . . . . . 11 ASP HB2 . 16018 1 66 . 1 1 11 11 ASP HB3 H 1 3.126 0.020 . 2 . . . . . 11 ASP HB3 . 16018 1 67 . 1 1 12 12 GLY H H 1 8.847 0.020 . 1 . . . . . 12 GLY H . 16018 1 68 . 1 1 12 12 GLY HA2 H 1 3.782 0.020 . 1 . . . . . 12 GLY HA2 . 16018 1 69 . 1 1 12 12 GLY HA3 H 1 4.427 0.020 . 1 . . . . . 12 GLY HA3 . 16018 1 70 . 1 1 13 13 ARG H H 1 7.933 0.020 . 1 . . . . . 13 ARG H . 16018 1 71 . 1 1 13 13 ARG HA H 1 4.886 0.020 . 1 . . . . . 13 ARG HA . 16018 1 72 . 1 1 13 13 ARG HB2 H 1 1.990 0.020 . 2 . . . . . 13 ARG HB2 . 16018 1 73 . 1 1 13 13 ARG HB3 H 1 2.031 0.020 . 2 . . . . . 13 ARG HB3 . 16018 1 74 . 1 1 13 13 ARG HD2 H 1 3.428 0.020 . 2 . . . . . 13 ARG HD2 . 16018 1 75 . 1 1 13 13 ARG HE H 1 7.387 0.020 . 1 . . . . . 13 ARG HE . 16018 1 76 . 1 1 13 13 ARG HG2 H 1 1.834 0.020 . 2 . . . . . 13 ARG HG2 . 16018 1 77 . 1 1 14 14 GLU H H 1 9.179 0.020 . 1 . . . . . 14 GLU H . 16018 1 78 . 1 1 14 14 GLU HA H 1 4.178 0.020 . 1 . . . . . 14 GLU HA . 16018 1 79 . 1 1 14 14 GLU HB2 H 1 1.951 0.020 . 2 . . . . . 14 GLU HB2 . 16018 1 80 . 1 1 14 14 GLU HB3 H 1 2.168 0.020 . 2 . . . . . 14 GLU HB3 . 16018 1 81 . 1 1 14 14 GLU HG2 H 1 2.281 0.020 . 2 . . . . . 14 GLU HG2 . 16018 1 82 . 1 1 15 15 LYS H H 1 9.078 0.020 . 1 . . . . . 15 LYS H . 16018 1 83 . 1 1 15 15 LYS HA H 1 4.890 0.020 . 1 . . . . . 15 LYS HA . 16018 1 84 . 1 1 16 16 PRO HA H 1 5.144 0.020 . 1 . . . . . 16 PRO HA . 16018 1 85 . 1 1 16 16 PRO HB2 H 1 1.914 0.020 . 1 . . . . . 16 PRO HB2 . 16018 1 86 . 1 1 16 16 PRO HB3 H 1 2.206 0.020 . 1 . . . . . 16 PRO HB3 . 16018 1 87 . 1 1 16 16 PRO HD2 H 1 3.658 0.020 . 2 . . . . . 16 PRO HD2 . 16018 1 88 . 1 1 16 16 PRO HD3 H 1 3.818 0.020 . 2 . . . . . 16 PRO HD3 . 16018 1 89 . 1 1 16 16 PRO HG2 H 1 2.107 0.020 . 2 . . . . . 16 PRO HG2 . 16018 1 90 . 1 1 16 16 PRO HG3 H 1 2.244 0.020 . 2 . . . . . 16 PRO HG3 . 16018 1 91 . 1 1 17 17 PHE H H 1 9.487 0.020 . 1 . . . . . 17 PHE H . 16018 1 92 . 1 1 17 17 PHE HA H 1 4.760 0.020 . 1 . . . . . 17 PHE HA . 16018 1 93 . 1 1 17 17 PHE HB2 H 1 2.801 0.020 . 1 . . . . . 17 PHE HB2 . 16018 1 94 . 1 1 17 17 PHE HB3 H 1 2.673 0.020 . 1 . . . . . 17 PHE HB3 . 16018 1 95 . 1 1 17 17 PHE HD1 H 1 6.713 0.020 . 1 . . . . . 17 PHE HD1 . 16018 1 96 . 1 1 17 17 PHE HD2 H 1 6.713 0.020 . 1 . . . . . 17 PHE HD2 . 16018 1 97 . 1 1 17 17 PHE HE1 H 1 6.235 0.020 . 1 . . . . . 17 PHE HE1 . 16018 1 98 . 1 1 17 17 PHE HE2 H 1 6.235 0.020 . 1 . . . . . 17 PHE HE2 . 16018 1 99 . 1 1 17 17 PHE HZ H 1 7.023 0.020 . 1 . . . . . 17 PHE HZ . 16018 1 100 . 1 1 18 18 LYS H H 1 9.315 0.020 . 1 . . . . . 18 LYS H . 16018 1 101 . 1 1 18 18 LYS HA H 1 5.197 0.020 . 1 . . . . . 18 LYS HA . 16018 1 102 . 1 1 18 18 LYS HB2 H 1 1.896 0.020 . 2 . . . . . 18 LYS HB2 . 16018 1 103 . 1 1 18 18 LYS HB3 H 1 2.200 0.020 . 2 . . . . . 18 LYS HB3 . 16018 1 104 . 1 1 18 18 LYS HD2 H 1 1.927 0.020 . 2 . . . . . 18 LYS HD2 . 16018 1 105 . 1 1 18 18 LYS HE2 H 1 3.115 0.020 . 2 . . . . . 18 LYS HE2 . 16018 1 106 . 1 1 18 18 LYS HG2 H 1 1.667 0.020 . 2 . . . . . 18 LYS HG2 . 16018 1 107 . 1 1 18 18 LYS HG3 H 1 1.792 0.020 . 2 . . . . . 18 LYS HG3 . 16018 1 108 . 1 1 19 19 VAL H H 1 9.643 0.020 . 1 . . . . . 19 VAL H . 16018 1 109 . 1 1 19 19 VAL HA H 1 4.796 0.020 . 1 . . . . . 19 VAL HA . 16018 1 110 . 1 1 19 19 VAL HB H 1 2.091 0.020 . 1 . . . . . 19 VAL HB . 16018 1 111 . 1 1 19 19 VAL HG11 H 1 1.142 0.020 . 2 . . . . . 19 VAL HG1 . 16018 1 112 . 1 1 19 19 VAL HG12 H 1 1.142 0.020 . 2 . . . . . 19 VAL HG1 . 16018 1 113 . 1 1 19 19 VAL HG13 H 1 1.142 0.020 . 2 . . . . . 19 VAL HG1 . 16018 1 114 . 1 1 19 19 VAL HG21 H 1 1.257 0.020 . 2 . . . . . 19 VAL HG2 . 16018 1 115 . 1 1 19 19 VAL HG22 H 1 1.257 0.020 . 2 . . . . . 19 VAL HG2 . 16018 1 116 . 1 1 19 19 VAL HG23 H 1 1.257 0.020 . 2 . . . . . 19 VAL HG2 . 16018 1 117 . 1 1 20 20 ASP H H 1 9.555 0.020 . 1 . . . . . 20 ASP H . 16018 1 118 . 1 1 20 20 ASP HA H 1 5.151 0.020 . 1 . . . . . 20 ASP HA . 16018 1 119 . 1 1 20 20 ASP HB2 H 1 2.601 0.020 . 2 . . . . . 20 ASP HB2 . 16018 1 120 . 1 1 20 20 ASP HB3 H 1 3.384 0.020 . 2 . . . . . 20 ASP HB3 . 16018 1 121 . 1 1 21 21 VAL H H 1 9.607 0.020 . 1 . . . . . 21 VAL H . 16018 1 122 . 1 1 21 21 VAL HA H 1 3.611 0.020 . 1 . . . . . 21 VAL HA . 16018 1 123 . 1 1 21 21 VAL HB H 1 2.085 0.020 . 1 . . . . . 21 VAL HB . 16018 1 124 . 1 1 21 21 VAL HG11 H 1 0.948 0.020 . 2 . . . . . 21 VAL HG1 . 16018 1 125 . 1 1 21 21 VAL HG12 H 1 0.948 0.020 . 2 . . . . . 21 VAL HG1 . 16018 1 126 . 1 1 21 21 VAL HG13 H 1 0.948 0.020 . 2 . . . . . 21 VAL HG1 . 16018 1 127 . 1 1 21 21 VAL HG21 H 1 1.309 0.020 . 2 . . . . . 21 VAL HG2 . 16018 1 128 . 1 1 21 21 VAL HG22 H 1 1.309 0.020 . 2 . . . . . 21 VAL HG2 . 16018 1 129 . 1 1 21 21 VAL HG23 H 1 1.309 0.020 . 2 . . . . . 21 VAL HG2 . 16018 1 130 . 1 1 22 22 ALA H H 1 8.531 0.020 . 1 . . . . . 22 ALA H . 16018 1 131 . 1 1 22 22 ALA HA H 1 4.299 0.020 . 1 . . . . . 22 ALA HA . 16018 1 132 . 1 1 22 22 ALA HB1 H 1 1.692 0.020 . 1 . . . . . 22 ALA HB . 16018 1 133 . 1 1 22 22 ALA HB2 H 1 1.692 0.020 . 1 . . . . . 22 ALA HB . 16018 1 134 . 1 1 22 22 ALA HB3 H 1 1.692 0.020 . 1 . . . . . 22 ALA HB . 16018 1 135 . 1 1 23 23 THR H H 1 7.294 0.020 . 1 . . . . . 23 THR H . 16018 1 136 . 1 1 23 23 THR HA H 1 4.264 0.020 . 1 . . . . . 23 THR HA . 16018 1 137 . 1 1 23 23 THR HB H 1 4.853 0.020 . 1 . . . . . 23 THR HB . 16018 1 138 . 1 1 23 23 THR HG21 H 1 1.534 0.020 . 1 . . . . . 23 THR HG2 . 16018 1 139 . 1 1 23 23 THR HG22 H 1 1.534 0.020 . 1 . . . . . 23 THR HG2 . 16018 1 140 . 1 1 23 23 THR HG23 H 1 1.534 0.020 . 1 . . . . . 23 THR HG2 . 16018 1 141 . 1 1 24 24 ALA H H 1 8.346 0.020 . 1 . . . . . 24 ALA H . 16018 1 142 . 1 1 24 24 ALA HA H 1 4.082 0.020 . 1 . . . . . 24 ALA HA . 16018 1 143 . 1 1 24 24 ALA HB1 H 1 1.699 0.020 . 1 . . . . . 24 ALA HB . 16018 1 144 . 1 1 24 24 ALA HB2 H 1 1.699 0.020 . 1 . . . . . 24 ALA HB . 16018 1 145 . 1 1 24 24 ALA HB3 H 1 1.699 0.020 . 1 . . . . . 24 ALA HB . 16018 1 146 . 1 1 25 25 GLN H H 1 8.866 0.020 . 1 . . . . . 25 GLN H . 16018 1 147 . 1 1 25 25 GLN HA H 1 3.804 0.020 . 1 . . . . . 25 GLN HA . 16018 1 148 . 1 1 25 25 GLN HB2 H 1 1.975 0.020 . 2 . . . . . 25 GLN HB2 . 16018 1 149 . 1 1 25 25 GLN HB3 H 1 2.098 0.020 . 2 . . . . . 25 GLN HB3 . 16018 1 150 . 1 1 25 25 GLN HE21 H 1 5.637 0.020 . 2 . . . . . 25 GLN HE21 . 16018 1 151 . 1 1 25 25 GLN HE22 H 1 6.850 0.020 . 2 . . . . . 25 GLN HE22 . 16018 1 152 . 1 1 25 25 GLN HG2 H 1 2.087 0.020 . 2 . . . . . 25 GLN HG2 . 16018 1 153 . 1 1 26 26 ALA H H 1 7.767 0.020 . 1 . . . . . 26 ALA H . 16018 1 154 . 1 1 26 26 ALA HA H 1 4.208 0.020 . 1 . . . . . 26 ALA HA . 16018 1 155 . 1 1 26 26 ALA HB1 H 1 1.769 0.020 . 1 . . . . . 26 ALA HB . 16018 1 156 . 1 1 26 26 ALA HB2 H 1 1.769 0.020 . 1 . . . . . 26 ALA HB . 16018 1 157 . 1 1 26 26 ALA HB3 H 1 1.769 0.020 . 1 . . . . . 26 ALA HB . 16018 1 158 . 1 1 27 27 GLN H H 1 8.881 0.020 . 1 . . . . . 27 GLN H . 16018 1 159 . 1 1 27 27 GLN HA H 1 4.041 0.020 . 1 . . . . . 27 GLN HA . 16018 1 160 . 1 1 27 27 GLN HB2 H 1 2.442 0.020 . 2 . . . . . 27 GLN HB2 . 16018 1 161 . 1 1 27 27 GLN HE21 H 1 8.218 0.020 . 2 . . . . . 27 GLN HE21 . 16018 1 162 . 1 1 27 27 GLN HE22 H 1 8.109 0.020 . 2 . . . . . 27 GLN HE22 . 16018 1 163 . 1 1 27 27 GLN HG2 H 1 2.874 0.020 . 2 . . . . . 27 GLN HG2 . 16018 1 164 . 1 1 27 27 GLN HG3 H 1 3.033 0.020 . 2 . . . . . 27 GLN HG3 . 16018 1 165 . 1 1 28 28 ALA H H 1 8.142 0.020 . 1 . . . . . 28 ALA H . 16018 1 166 . 1 1 28 28 ALA HA H 1 3.475 0.020 . 1 . . . . . 28 ALA HA . 16018 1 167 . 1 1 28 28 ALA HB1 H 1 0.952 0.020 . 1 . . . . . 28 ALA HB . 16018 1 168 . 1 1 28 28 ALA HB2 H 1 0.952 0.020 . 1 . . . . . 28 ALA HB . 16018 1 169 . 1 1 28 28 ALA HB3 H 1 0.952 0.020 . 1 . . . . . 28 ALA HB . 16018 1 170 . 1 1 29 29 ARG H H 1 7.291 0.020 . 1 . . . . . 29 ARG H . 16018 1 171 . 1 1 29 29 ARG HA H 1 3.688 0.020 . 1 . . . . . 29 ARG HA . 16018 1 172 . 1 1 29 29 ARG HB2 H 1 1.901 0.020 . 2 . . . . . 29 ARG HB2 . 16018 1 173 . 1 1 29 29 ARG HG2 H 1 1.582 0.020 . 2 . . . . . 29 ARG HG2 . 16018 1 174 . 1 1 30 30 LYS H H 1 7.768 0.020 . 1 . . . . . 30 LYS H . 16018 1 175 . 1 1 30 30 LYS HA H 1 4.038 0.020 . 1 . . . . . 30 LYS HA . 16018 1 176 . 1 1 30 30 LYS HB2 H 1 1.938 0.020 . 2 . . . . . 30 LYS HB2 . 16018 1 177 . 1 1 30 30 LYS HD2 H 1 1.664 0.020 . 2 . . . . . 30 LYS HD2 . 16018 1 178 . 1 1 30 30 LYS HG2 H 1 1.511 0.020 . 2 . . . . . 30 LYS HG2 . 16018 1 179 . 1 1 31 31 ALA H H 1 8.127 0.020 . 1 . . . . . 31 ALA H . 16018 1 180 . 1 1 31 31 ALA HA H 1 3.656 0.020 . 1 . . . . . 31 ALA HA . 16018 1 181 . 1 1 31 31 ALA HB1 H 1 0.607 0.020 . 1 . . . . . 31 ALA HB . 16018 1 182 . 1 1 31 31 ALA HB2 H 1 0.607 0.020 . 1 . . . . . 31 ALA HB . 16018 1 183 . 1 1 31 31 ALA HB3 H 1 0.607 0.020 . 1 . . . . . 31 ALA HB . 16018 1 184 . 1 1 32 32 GLY H H 1 7.670 0.020 . 1 . . . . . 32 GLY H . 16018 1 185 . 1 1 32 32 GLY HA2 H 1 3.380 0.020 . 1 . . . . . 32 GLY HA2 . 16018 1 186 . 1 1 32 32 GLY HA3 H 1 3.844 0.020 . 1 . . . . . 32 GLY HA3 . 16018 1 187 . 1 1 33 33 LEU H H 1 8.057 0.020 . 1 . . . . . 33 LEU H . 16018 1 188 . 1 1 33 33 LEU HA H 1 3.259 0.020 . 1 . . . . . 33 LEU HA . 16018 1 189 . 1 1 33 33 LEU HB2 H 1 1.297 0.020 . 2 . . . . . 33 LEU HB2 . 16018 1 190 . 1 1 33 33 LEU HD11 H 1 0.057 0.020 . 2 . . . . . 33 LEU HD1 . 16018 1 191 . 1 1 33 33 LEU HD12 H 1 0.057 0.020 . 2 . . . . . 33 LEU HD1 . 16018 1 192 . 1 1 33 33 LEU HD13 H 1 0.057 0.020 . 2 . . . . . 33 LEU HD1 . 16018 1 193 . 1 1 33 33 LEU HD21 H 1 0.625 0.020 . 2 . . . . . 33 LEU HD2 . 16018 1 194 . 1 1 33 33 LEU HD22 H 1 0.625 0.020 . 2 . . . . . 33 LEU HD2 . 16018 1 195 . 1 1 33 33 LEU HD23 H 1 0.625 0.020 . 2 . . . . . 33 LEU HD2 . 16018 1 196 . 1 1 33 33 LEU HG H 1 1.026 0.020 . 1 . . . . . 33 LEU HG . 16018 1 197 . 1 1 34 34 THR H H 1 6.862 0.020 . 1 . . . . . 34 THR H . 16018 1 198 . 1 1 34 34 THR HA H 1 4.738 0.020 . 1 . . . . . 34 THR HA . 16018 1 199 . 1 1 34 34 THR HB H 1 4.264 0.020 . 1 . . . . . 34 THR HB . 16018 1 200 . 1 1 34 34 THR HG21 H 1 1.310 0.020 . 1 . . . . . 34 THR HG2 . 16018 1 201 . 1 1 34 34 THR HG22 H 1 1.310 0.020 . 1 . . . . . 34 THR HG2 . 16018 1 202 . 1 1 34 34 THR HG23 H 1 1.310 0.020 . 1 . . . . . 34 THR HG2 . 16018 1 203 . 1 1 35 35 THR H H 1 9.161 0.020 . 1 . . . . . 35 THR H . 16018 1 204 . 1 1 35 35 THR HA H 1 4.247 0.020 . 1 . . . . . 35 THR HA . 16018 1 205 . 1 1 35 35 THR HB H 1 4.659 0.020 . 1 . . . . . 35 THR HB . 16018 1 206 . 1 1 35 35 THR HG21 H 1 1.768 0.020 . 1 . . . . . 35 THR HG2 . 16018 1 207 . 1 1 35 35 THR HG22 H 1 1.768 0.020 . 1 . . . . . 35 THR HG2 . 16018 1 208 . 1 1 35 35 THR HG23 H 1 1.768 0.020 . 1 . . . . . 35 THR HG2 . 16018 1 209 . 1 1 36 36 GLY H H 1 8.407 0.020 . 1 . . . . . 36 GLY H . 16018 1 210 . 1 1 36 36 GLY HA2 H 1 4.349 0.020 . 2 . . . . . 36 GLY HA2 . 16018 1 211 . 1 1 36 36 GLY HA3 H 1 4.967 0.020 . 2 . . . . . 36 GLY HA3 . 16018 1 212 . 1 1 37 37 LYS H H 1 10.152 0.020 . 1 . . . . . 37 LYS H . 16018 1 213 . 1 1 37 37 LYS HA H 1 4.383 0.020 . 1 . . . . . 37 LYS HA . 16018 1 214 . 1 1 37 37 LYS HB2 H 1 1.978 0.020 . 2 . . . . . 37 LYS HB2 . 16018 1 215 . 1 1 37 37 LYS HD2 H 1 1.882 0.020 . 2 . . . . . 37 LYS HD2 . 16018 1 216 . 1 1 37 37 LYS HD3 H 1 2.096 0.020 . 2 . . . . . 37 LYS HD3 . 16018 1 217 . 1 1 37 37 LYS HG2 H 1 1.769 0.020 . 2 . . . . . 37 LYS HG2 . 16018 1 218 . 1 1 37 37 LYS HZ1 H 1 7.629 0.020 . 1 . . . . . 37 LYS HZ . 16018 1 219 . 1 1 37 37 LYS HZ2 H 1 7.629 0.020 . 1 . . . . . 37 LYS HZ . 16018 1 220 . 1 1 37 37 LYS HZ3 H 1 7.629 0.020 . 1 . . . . . 37 LYS HZ . 16018 1 221 . 1 1 38 38 SER H H 1 9.085 0.020 . 1 . . . . . 38 SER H . 16018 1 222 . 1 1 38 38 SER HA H 1 4.338 0.020 . 1 . . . . . 38 SER HA . 16018 1 223 . 1 1 38 38 SER HB2 H 1 4.463 0.020 . 2 . . . . . 38 SER HB2 . 16018 1 224 . 1 1 38 38 SER HB3 H 1 4.612 0.020 . 2 . . . . . 38 SER HB3 . 16018 1 225 . 1 1 38 38 SER HG H 1 5.799 0.020 . 1 . . . . . 38 SER HG . 16018 1 226 . 1 1 39 39 GLY H H 1 8.474 0.020 . 1 . . . . . 39 GLY H . 16018 1 227 . 1 1 39 39 GLY HA2 H 1 3.840 0.020 . 2 . . . . . 39 GLY HA2 . 16018 1 228 . 1 1 40 40 ASP H H 1 9.424 0.020 . 1 . . . . . 40 ASP H . 16018 1 229 . 1 1 40 40 ASP HA H 1 5.374 0.020 . 1 . . . . . 40 ASP HA . 16018 1 230 . 1 1 40 40 ASP HB2 H 1 2.851 0.020 . 2 . . . . . 40 ASP HB2 . 16018 1 231 . 1 1 41 41 PRO HA H 1 5.624 0.020 . 1 . . . . . 41 PRO HA . 16018 1 232 . 1 1 41 41 PRO HB2 H 1 2.914 0.020 . 1 . . . . . 41 PRO HB2 . 16018 1 233 . 1 1 41 41 PRO HB3 H 1 3.105 0.020 . 1 . . . . . 41 PRO HB3 . 16018 1 234 . 1 1 41 41 PRO HD2 H 1 3.467 0.020 . 1 . . . . . 41 PRO HD2 . 16018 1 235 . 1 1 41 41 PRO HD3 H 1 3.179 0.020 . 1 . . . . . 41 PRO HD3 . 16018 1 236 . 1 1 41 41 PRO HG2 H 1 1.831 0.020 . 1 . . . . . 41 PRO HG2 . 16018 1 237 . 1 1 41 41 PRO HG3 H 1 1.893 0.020 . 1 . . . . . 41 PRO HG3 . 16018 1 238 . 1 1 42 42 HIS H H 1 8.343 0.020 . 1 . . . . . 42 HIS H . 16018 1 239 . 1 1 42 42 HIS HA H 1 5.189 0.020 . 1 . . . . . 42 HIS HA . 16018 1 240 . 1 1 42 42 HIS HB2 H 1 3.847 0.020 . 1 . . . . . 42 HIS HB2 . 16018 1 241 . 1 1 42 42 HIS HB3 H 1 3.678 0.020 . 1 . . . . . 42 HIS HB3 . 16018 1 242 . 1 1 42 42 HIS HD2 H 1 7.891 0.020 . 1 . . . . . 42 HIS HD2 . 16018 1 243 . 1 1 42 42 HIS HE1 H 1 8.827 0.020 . 1 . . . . . 42 HIS HE1 . 16018 1 244 . 1 1 43 43 ARG H H 1 8.634 0.020 . 1 . . . . . 43 ARG H . 16018 1 245 . 1 1 43 43 ARG HA H 1 3.654 0.020 . 1 . . . . . 43 ARG HA . 16018 1 246 . 1 1 43 43 ARG HB2 H 1 0.385 0.020 . 2 . . . . . 43 ARG HB2 . 16018 1 247 . 1 1 43 43 ARG HB3 H 1 0.740 0.020 . 2 . . . . . 43 ARG HB3 . 16018 1 248 . 1 1 43 43 ARG HD2 H 1 2.752 0.020 . 1 . . . . . 43 ARG HD2 . 16018 1 249 . 1 1 43 43 ARG HD3 H 1 1.472 0.020 . 1 . . . . . 43 ARG HD3 . 16018 1 250 . 1 1 43 43 ARG HE H 1 6.568 0.020 . 1 . . . . . 43 ARG HE . 16018 1 251 . 1 1 43 43 ARG HG2 H 1 1.582 0.020 . 2 . . . . . 43 ARG HG2 . 16018 1 252 . 1 1 44 44 TYR H H 1 8.188 0.020 . 1 . . . . . 44 TYR H . 16018 1 253 . 1 1 44 44 TYR HA H 1 5.021 0.020 . 1 . . . . . 44 TYR HA . 16018 1 254 . 1 1 44 44 TYR HB2 H 1 2.686 0.020 . 1 . . . . . 44 TYR HB2 . 16018 1 255 . 1 1 44 44 TYR HB3 H 1 2.280 0.020 . 1 . . . . . 44 TYR HB3 . 16018 1 256 . 1 1 44 44 TYR HD1 H 1 7.202 0.020 . 1 . . . . . 44 TYR HD1 . 16018 1 257 . 1 1 44 44 TYR HD2 H 1 7.202 0.020 . 1 . . . . . 44 TYR HD2 . 16018 1 258 . 1 1 44 44 TYR HE1 H 1 7.056 0.020 . 1 . . . . . 44 TYR HE1 . 16018 1 259 . 1 1 44 44 TYR HE2 H 1 7.056 0.020 . 1 . . . . . 44 TYR HE2 . 16018 1 260 . 1 1 45 45 PHE H H 1 8.728 0.020 . 1 . . . . . 45 PHE H . 16018 1 261 . 1 1 45 45 PHE HA H 1 4.480 0.020 . 1 . . . . . 45 PHE HA . 16018 1 262 . 1 1 45 45 PHE HB2 H 1 2.765 0.020 . 2 . . . . . 45 PHE HB2 . 16018 1 263 . 1 1 45 45 PHE HB3 H 1 3.493 0.020 . 2 . . . . . 45 PHE HB3 . 16018 1 264 . 1 1 45 45 PHE HD1 H 1 7.398 0.020 . 1 . . . . . 45 PHE HD1 . 16018 1 265 . 1 1 45 45 PHE HD2 H 1 7.398 0.020 . 1 . . . . . 45 PHE HD2 . 16018 1 266 . 1 1 45 45 PHE HE1 H 1 7.324 0.020 . 1 . . . . . 45 PHE HE1 . 16018 1 267 . 1 1 45 45 PHE HE2 H 1 7.324 0.020 . 1 . . . . . 45 PHE HE2 . 16018 1 268 . 1 1 46 46 ALA H H 1 5.979 0.020 . 1 . . . . . 46 ALA H . 16018 1 269 . 1 1 46 46 ALA HA H 1 3.797 0.020 . 1 . . . . . 46 ALA HA . 16018 1 270 . 1 1 46 46 ALA HB1 H 1 1.507 0.020 . 1 . . . . . 46 ALA HB . 16018 1 271 . 1 1 46 46 ALA HB2 H 1 1.507 0.020 . 1 . . . . . 46 ALA HB . 16018 1 272 . 1 1 46 46 ALA HB3 H 1 1.507 0.020 . 1 . . . . . 46 ALA HB . 16018 1 273 . 1 1 47 47 GLY H H 1 8.510 0.020 . 1 . . . . . 47 GLY H . 16018 1 274 . 1 1 47 47 GLY HA2 H 1 3.953 0.020 . 2 . . . . . 47 GLY HA2 . 16018 1 275 . 1 1 47 47 GLY HA3 H 1 4.075 0.020 . 2 . . . . . 47 GLY HA3 . 16018 1 276 . 1 1 48 48 ASP H H 1 7.504 0.020 . 1 . . . . . 48 ASP H . 16018 1 277 . 1 1 48 48 ASP HA H 1 5.020 0.020 . 1 . . . . . 48 ASP HA . 16018 1 278 . 1 1 48 48 ASP HB2 H 1 2.455 0.020 . 2 . . . . . 48 ASP HB2 . 16018 1 279 . 1 1 48 48 ASP HB3 H 1 3.429 0.020 . 2 . . . . . 48 ASP HB3 . 16018 1 280 . 1 1 49 49 HIS H H 1 8.240 0.020 . 1 . . . . . 49 HIS H . 16018 1 281 . 1 1 49 49 HIS HA H 1 4.373 0.020 . 1 . . . . . 49 HIS HA . 16018 1 282 . 1 1 49 49 HIS HB2 H 1 3.495 0.020 . 2 . . . . . 49 HIS HB2 . 16018 1 283 . 1 1 49 49 HIS HB3 H 1 3.602 0.020 . 2 . . . . . 49 HIS HB3 . 16018 1 284 . 1 1 49 49 HIS HD2 H 1 7.424 0.020 . 1 . . . . . 49 HIS HD2 . 16018 1 285 . 1 1 50 50 ILE H H 1 8.468 0.020 . 1 . . . . . 50 ILE H . 16018 1 286 . 1 1 50 50 ILE HA H 1 3.651 0.020 . 1 . . . . . 50 ILE HA . 16018 1 287 . 1 1 50 50 ILE HB H 1 1.147 0.020 . 1 . . . . . 50 ILE HB . 16018 1 288 . 1 1 50 50 ILE HD11 H 1 0.699 0.020 . 1 . . . . . 50 ILE HD1 . 16018 1 289 . 1 1 50 50 ILE HD12 H 1 0.699 0.020 . 1 . . . . . 50 ILE HD1 . 16018 1 290 . 1 1 50 50 ILE HD13 H 1 0.699 0.020 . 1 . . . . . 50 ILE HD1 . 16018 1 291 . 1 1 50 50 ILE HG12 H 1 0.839 0.020 . 1 . . . . . 50 ILE HG12 . 16018 1 292 . 1 1 50 50 ILE HG13 H 1 1.510 0.020 . 1 . . . . . 50 ILE HG13 . 16018 1 293 . 1 1 50 50 ILE HG21 H 1 -0.760 0.020 . 1 . . . . . 50 ILE HG2 . 16018 1 294 . 1 1 50 50 ILE HG22 H 1 -0.760 0.020 . 1 . . . . . 50 ILE HG2 . 16018 1 295 . 1 1 50 50 ILE HG23 H 1 -0.760 0.020 . 1 . . . . . 50 ILE HG2 . 16018 1 296 . 1 1 51 51 ARG H H 1 8.404 0.020 . 1 . . . . . 51 ARG H . 16018 1 297 . 1 1 51 51 ARG HA H 1 4.450 0.020 . 1 . . . . . 51 ARG HA . 16018 1 298 . 1 1 51 51 ARG HB2 H 1 1.882 0.020 . 1 . . . . . 51 ARG HB2 . 16018 1 299 . 1 1 51 51 ARG HB3 H 1 1.709 0.020 . 1 . . . . . 51 ARG HB3 . 16018 1 300 . 1 1 51 51 ARG HD2 H 1 3.328 0.020 . 1 . . . . . 51 ARG HD2 . 16018 1 301 . 1 1 51 51 ARG HG2 H 1 1.603 0.020 . 2 . . . . . 51 ARG HG2 . 16018 1 302 . 1 1 51 51 ARG HG3 H 1 1.762 0.020 . 2 . . . . . 51 ARG HG3 . 16018 1 303 . 1 1 52 52 TRP H H 1 11.176 0.020 . 1 . . . . . 52 TRP H . 16018 1 304 . 1 1 52 52 TRP HA H 1 4.423 0.020 . 1 . . . . . 52 TRP HA . 16018 1 305 . 1 1 52 52 TRP HB2 H 1 3.551 0.020 . 1 . . . . . 52 TRP HB2 . 16018 1 306 . 1 1 52 52 TRP HB3 H 1 3.140 0.020 . 1 . . . . . 52 TRP HB3 . 16018 1 307 . 1 1 52 52 TRP HD1 H 1 7.462 0.020 . 1 . . . . . 52 TRP HD1 . 16018 1 308 . 1 1 52 52 TRP HE1 H 1 9.891 0.020 . 1 . . . . . 52 TRP HE1 . 16018 1 309 . 1 1 52 52 TRP HE3 H 1 6.947 0.020 . 1 . . . . . 52 TRP HE3 . 16018 1 310 . 1 1 52 52 TRP HH2 H 1 6.904 0.020 . 1 . . . . . 52 TRP HH2 . 16018 1 311 . 1 1 52 52 TRP HZ2 H 1 7.280 0.020 . 1 . . . . . 52 TRP HZ2 . 16018 1 312 . 1 1 53 53 GLY H H 1 10.422 0.020 . 1 . . . . . 53 GLY H . 16018 1 313 . 1 1 53 53 GLY HA2 H 1 3.832 0.020 . 2 . . . . . 53 GLY HA2 . 16018 1 314 . 1 1 53 53 GLY HA3 H 1 4.411 0.020 . 2 . . . . . 53 GLY HA3 . 16018 1 315 . 1 1 54 54 VAL H H 1 7.040 0.020 . 1 . . . . . 54 VAL H . 16018 1 316 . 1 1 54 54 VAL HA H 1 4.489 0.020 . 1 . . . . . 54 VAL HA . 16018 1 317 . 1 1 54 54 VAL HB H 1 2.052 0.020 . 1 . . . . . 54 VAL HB . 16018 1 318 . 1 1 54 54 VAL HG11 H 1 1.231 0.020 . 2 . . . . . 54 VAL HG1 . 16018 1 319 . 1 1 54 54 VAL HG12 H 1 1.231 0.020 . 2 . . . . . 54 VAL HG1 . 16018 1 320 . 1 1 54 54 VAL HG13 H 1 1.231 0.020 . 2 . . . . . 54 VAL HG1 . 16018 1 321 . 1 1 54 54 VAL HG21 H 1 1.303 0.020 . 2 . . . . . 54 VAL HG2 . 16018 1 322 . 1 1 54 54 VAL HG22 H 1 1.303 0.020 . 2 . . . . . 54 VAL HG2 . 16018 1 323 . 1 1 54 54 VAL HG23 H 1 1.303 0.020 . 2 . . . . . 54 VAL HG2 . 16018 1 324 . 1 1 55 55 ASN H H 1 9.530 0.020 . 1 . . . . . 55 ASN H . 16018 1 325 . 1 1 55 55 ASN HA H 1 4.569 0.020 . 1 . . . . . 55 ASN HA . 16018 1 326 . 1 1 55 55 ASN HB2 H 1 3.031 0.020 . 2 . . . . . 55 ASN HB2 . 16018 1 327 . 1 1 55 55 ASN HB3 H 1 3.088 0.020 . 2 . . . . . 55 ASN HB3 . 16018 1 328 . 1 1 55 55 ASN HD21 H 1 7.255 0.020 . 1 . . . . . 55 ASN HD21 . 16018 1 329 . 1 1 55 55 ASN HD22 H 1 7.873 0.020 . 1 . . . . . 55 ASN HD22 . 16018 1 330 . 1 1 56 56 ASN H H 1 9.175 0.020 . 1 . . . . . 56 ASN H . 16018 1 331 . 1 1 56 56 ASN HA H 1 4.649 0.020 . 1 . . . . . 56 ASN HA . 16018 1 332 . 1 1 56 56 ASN HB2 H 1 2.799 0.020 . 2 . . . . . 56 ASN HB2 . 16018 1 333 . 1 1 56 56 ASN HB3 H 1 2.907 0.020 . 2 . . . . . 56 ASN HB3 . 16018 1 334 . 1 1 56 56 ASN HD21 H 1 8.305 0.020 . 1 . . . . . 56 ASN HD21 . 16018 1 335 . 1 1 56 56 ASN HD22 H 1 7.147 0.020 . 1 . . . . . 56 ASN HD22 . 16018 1 336 . 1 1 57 57 CYS H H 1 7.613 0.020 . 1 . . . . . 57 CYSS H . 16018 1 337 . 1 1 57 57 CYS HA H 1 4.645 0.020 . 1 . . . . . 57 CYSS HA . 16018 1 338 . 1 1 57 57 CYS HB2 H 1 2.934 0.020 . 2 . . . . . 57 CYSS HB2 . 16018 1 339 . 1 1 57 57 CYS HB3 H 1 3.706 0.020 . 2 . . . . . 57 CYSS HB3 . 16018 1 340 . 1 1 58 58 ASP H H 1 7.626 0.020 . 1 . . . . . 58 ASP H . 16018 1 341 . 1 1 58 58 ASP HA H 1 5.206 0.020 . 1 . . . . . 58 ASP HA . 16018 1 342 . 1 1 58 58 ASP HB2 H 1 2.629 0.020 . 2 . . . . . 58 ASP HB2 . 16018 1 343 . 1 1 58 58 ASP HB3 H 1 3.146 0.020 . 2 . . . . . 58 ASP HB3 . 16018 1 344 . 1 1 59 59 LYS H H 1 7.349 0.020 . 1 . . . . . 59 LYS H . 16018 1 345 . 1 1 59 59 LYS HA H 1 4.548 0.020 . 1 . . . . . 59 LYS HA . 16018 1 346 . 1 1 59 59 LYS HB2 H 1 2.024 0.020 . 2 . . . . . 59 LYS HB2 . 16018 1 347 . 1 1 59 59 LYS HB3 H 1 2.216 0.020 . 2 . . . . . 59 LYS HB3 . 16018 1 348 . 1 1 59 59 LYS HG2 H 1 1.686 0.020 . 2 . . . . . 59 LYS HG2 . 16018 1 349 . 1 1 59 59 LYS HG3 H 1 1.769 0.020 . 2 . . . . . 59 LYS HG3 . 16018 1 350 . 1 1 60 60 ALA H H 1 9.155 0.020 . 1 . . . . . 60 ALA H . 16018 1 351 . 1 1 60 60 ALA HA H 1 4.330 0.020 . 1 . . . . . 60 ALA HA . 16018 1 352 . 1 1 60 60 ALA HB1 H 1 1.665 0.020 . 1 . . . . . 60 ALA HB . 16018 1 353 . 1 1 60 60 ALA HB2 H 1 1.665 0.020 . 1 . . . . . 60 ALA HB . 16018 1 354 . 1 1 60 60 ALA HB3 H 1 1.665 0.020 . 1 . . . . . 60 ALA HB . 16018 1 355 . 1 1 61 61 ASP H H 1 8.548 0.020 . 1 . . . . . 61 ASP H . 16018 1 356 . 1 1 61 61 ASP HA H 1 4.827 0.020 . 1 . . . . . 61 ASP HA . 16018 1 357 . 1 1 61 61 ASP HB2 H 1 2.814 0.020 . 2 . . . . . 61 ASP HB2 . 16018 1 358 . 1 1 61 61 ASP HB3 H 1 3.186 0.020 . 2 . . . . . 61 ASP HB3 . 16018 1 359 . 1 1 62 62 ALA H H 1 7.463 0.020 . 1 . . . . . 62 ALA H . 16018 1 360 . 1 1 62 62 ALA HA H 1 4.217 0.020 . 1 . . . . . 62 ALA HA . 16018 1 361 . 1 1 62 62 ALA HB1 H 1 1.591 0.020 . 1 . . . . . 62 ALA HB . 16018 1 362 . 1 1 62 62 ALA HB2 H 1 1.591 0.020 . 1 . . . . . 62 ALA HB . 16018 1 363 . 1 1 62 62 ALA HB3 H 1 1.591 0.020 . 1 . . . . . 62 ALA HB . 16018 1 364 . 1 1 63 63 ILE H H 1 9.302 0.020 . 1 . . . . . 63 ILE H . 16018 1 365 . 1 1 63 63 ILE HA H 1 4.332 0.020 . 1 . . . . . 63 ILE HA . 16018 1 366 . 1 1 63 63 ILE HB H 1 2.375 0.020 . 1 . . . . . 63 ILE HB . 16018 1 367 . 1 1 63 63 ILE HD11 H 1 1.163 0.020 . 1 . . . . . 63 ILE HD1 . 16018 1 368 . 1 1 63 63 ILE HD12 H 1 1.163 0.020 . 1 . . . . . 63 ILE HD1 . 16018 1 369 . 1 1 63 63 ILE HD13 H 1 1.163 0.020 . 1 . . . . . 63 ILE HD1 . 16018 1 370 . 1 1 63 63 ILE HG12 H 1 1.408 0.020 . 2 . . . . . 63 ILE HG12 . 16018 1 371 . 1 1 63 63 ILE HG21 H 1 1.192 0.020 . 1 . . . . . 63 ILE HG2 . 16018 1 372 . 1 1 63 63 ILE HG22 H 1 1.192 0.020 . 1 . . . . . 63 ILE HG2 . 16018 1 373 . 1 1 63 63 ILE HG23 H 1 1.192 0.020 . 1 . . . . . 63 ILE HG2 . 16018 1 374 . 1 1 64 64 LEU H H 1 8.724 0.020 . 1 . . . . . 64 LEU H . 16018 1 375 . 1 1 64 64 LEU HA H 1 5.463 0.020 . 1 . . . . . 64 LEU HA . 16018 1 376 . 1 1 64 64 LEU HB2 H 1 1.352 0.020 . 1 . . . . . 64 LEU HB2 . 16018 1 377 . 1 1 64 64 LEU HB3 H 1 2.652 0.020 . 1 . . . . . 64 LEU HB3 . 16018 1 378 . 1 1 64 64 LEU HD11 H 1 1.019 0.020 . 2 . . . . . 64 LEU HD1 . 16018 1 379 . 1 1 64 64 LEU HD12 H 1 1.019 0.020 . 2 . . . . . 64 LEU HD1 . 16018 1 380 . 1 1 64 64 LEU HD13 H 1 1.019 0.020 . 2 . . . . . 64 LEU HD1 . 16018 1 381 . 1 1 64 64 LEU HD21 H 1 1.247 0.020 . 2 . . . . . 64 LEU HD2 . 16018 1 382 . 1 1 64 64 LEU HD22 H 1 1.247 0.020 . 2 . . . . . 64 LEU HD2 . 16018 1 383 . 1 1 64 64 LEU HD23 H 1 1.247 0.020 . 2 . . . . . 64 LEU HD2 . 16018 1 384 . 1 1 64 64 LEU HG H 1 1.810 0.020 . 1 . . . . . 64 LEU HG . 16018 1 385 . 1 1 65 65 TRP H H 1 9.621 0.020 . 1 . . . . . 65 TRP H . 16018 1 386 . 1 1 65 65 TRP HA H 1 4.605 0.020 . 1 . . . . . 65 TRP HA . 16018 1 387 . 1 1 65 65 TRP HB2 H 1 1.664 0.020 . 1 . . . . . 65 TRP HB2 . 16018 1 388 . 1 1 65 65 TRP HB3 H 1 2.629 0.020 . 1 . . . . . 65 TRP HB3 . 16018 1 389 . 1 1 65 65 TRP HD1 H 1 6.835 0.020 . 1 . . . . . 65 TRP HD1 . 16018 1 390 . 1 1 65 65 TRP HE1 H 1 9.820 0.020 . 1 . . . . . 65 TRP HE1 . 16018 1 391 . 1 1 65 65 TRP HE3 H 1 7.254 0.020 . 1 . . . . . 65 TRP HE3 . 16018 1 392 . 1 1 65 65 TRP HH2 H 1 7.192 0.020 . 1 . . . . . 65 TRP HH2 . 16018 1 393 . 1 1 65 65 TRP HZ2 H 1 7.582 0.020 . 1 . . . . . 65 TRP HZ2 . 16018 1 394 . 1 1 65 65 TRP HZ3 H 1 6.887 0.020 . 1 . . . . . 65 TRP HZ3 . 16018 1 395 . 1 1 66 66 GLU H H 1 8.388 0.020 . 1 . . . . . 66 GLU H . 16018 1 396 . 1 1 66 66 GLU HA H 1 6.014 0.020 . 1 . . . . . 66 GLU HA . 16018 1 397 . 1 1 66 66 GLU HB2 H 1 1.700 0.020 . 1 . . . . . 66 GLU HB2 . 16018 1 398 . 1 1 66 66 GLU HB3 H 1 1.392 0.020 . 1 . . . . . 66 GLU HB3 . 16018 1 399 . 1 1 66 66 GLU HG2 H 1 1.998 0.020 . 2 . . . . . 66 GLU HG2 . 16018 1 400 . 1 1 66 66 GLU HG3 H 1 2.067 0.020 . 2 . . . . . 66 GLU HG3 . 16018 1 401 . 1 1 67 67 TYR H H 1 8.766 0.020 . 1 . . . . . 67 TYR H . 16018 1 402 . 1 1 67 67 TYR HA H 1 5.204 0.020 . 1 . . . . . 67 TYR HA . 16018 1 403 . 1 1 67 67 TYR HB2 H 1 2.873 0.020 . 1 . . . . . 67 TYR HB2 . 16018 1 404 . 1 1 67 67 TYR HB3 H 1 3.439 0.020 . 1 . . . . . 67 TYR HB3 . 16018 1 405 . 1 1 68 68 PRO HA H 1 4.523 0.020 . 1 . . . . . 68 PRO HA . 16018 1 406 . 1 1 68 68 PRO HB2 H 1 0.385 0.020 . 2 . . . . . 68 PRO HB2 . 16018 1 407 . 1 1 68 68 PRO HB3 H 1 1.267 0.020 . 2 . . . . . 68 PRO HB3 . 16018 1 408 . 1 1 68 68 PRO HD2 H 1 1.555 0.020 . 2 . . . . . 68 PRO HD2 . 16018 1 409 . 1 1 68 68 PRO HD3 H 1 3.410 0.020 . 2 . . . . . 68 PRO HD3 . 16018 1 410 . 1 1 68 68 PRO HG2 H 1 -0.324 0.020 . 2 . . . . . 68 PRO HG2 . 16018 1 411 . 1 1 68 68 PRO HG3 H 1 0.635 0.020 . 2 . . . . . 68 PRO HG3 . 16018 1 412 . 1 1 69 69 ILE H H 1 7.308 0.020 . 1 . . . . . 69 ILE H . 16018 1 413 . 1 1 69 69 ILE HA H 1 4.870 0.020 . 1 . . . . . 69 ILE HA . 16018 1 414 . 1 1 70 70 TYR H H 1 9.219 0.020 . 1 . . . . . 70 TYR H . 16018 1 415 . 1 1 70 70 TYR HA H 1 4.854 0.020 . 1 . . . . . 70 TYR HA . 16018 1 416 . 1 1 70 70 TYR HB2 H 1 2.366 0.020 . 1 . . . . . 70 TYR HB2 . 16018 1 417 . 1 1 70 70 TYR HB3 H 1 2.818 0.020 . 1 . . . . . 70 TYR HB3 . 16018 1 418 . 1 1 70 70 TYR HD1 H 1 6.818 0.020 . 1 . . . . . 70 TYR HD1 . 16018 1 419 . 1 1 70 70 TYR HD2 H 1 6.818 0.020 . 1 . . . . . 70 TYR HD2 . 16018 1 420 . 1 1 70 70 TYR HE1 H 1 6.678 0.020 . 1 . . . . . 70 TYR HE1 . 16018 1 421 . 1 1 70 70 TYR HE2 H 1 6.678 0.020 . 1 . . . . . 70 TYR HE2 . 16018 1 422 . 1 1 70 70 TYR HH H 1 10.962 0.020 . 1 . . . . . 70 TYR HH . 16018 1 423 . 1 1 71 71 TRP H H 1 6.662 0.020 . 1 . . . . . 71 TRP H . 16018 1 424 . 1 1 71 71 TRP HA H 1 5.496 0.020 . 1 . . . . . 71 TRP HA . 16018 1 425 . 1 1 71 71 TRP HB2 H 1 4.377 0.020 . 1 . . . . . 71 TRP HB2 . 16018 1 426 . 1 1 71 71 TRP HB3 H 1 3.412 0.020 . 1 . . . . . 71 TRP HB3 . 16018 1 427 . 1 1 71 71 TRP HD1 H 1 7.681 0.020 . 1 . . . . . 71 TRP HD1 . 16018 1 428 . 1 1 71 71 TRP HE1 H 1 10.854 0.020 . 1 . . . . . 71 TRP HE1 . 16018 1 429 . 1 1 71 71 TRP HE3 H 1 7.769 0.020 . 1 . . . . . 71 TRP HE3 . 16018 1 430 . 1 1 71 71 TRP HH2 H 1 7.845 0.020 . 1 . . . . . 71 TRP HH2 . 16018 1 431 . 1 1 71 71 TRP HZ2 H 1 7.986 0.020 . 1 . . . . . 71 TRP HZ2 . 16018 1 432 . 1 1 72 72 VAL H H 1 9.510 0.020 . 1 . . . . . 72 VAL H . 16018 1 433 . 1 1 72 72 VAL HA H 1 3.999 0.020 . 1 . . . . . 72 VAL HA . 16018 1 434 . 1 1 72 72 VAL HB H 1 2.236 0.020 . 1 . . . . . 72 VAL HB . 16018 1 435 . 1 1 72 72 VAL HG11 H 1 1.227 0.020 . 2 . . . . . 72 VAL HG1 . 16018 1 436 . 1 1 72 72 VAL HG12 H 1 1.227 0.020 . 2 . . . . . 72 VAL HG1 . 16018 1 437 . 1 1 72 72 VAL HG13 H 1 1.227 0.020 . 2 . . . . . 72 VAL HG1 . 16018 1 438 . 1 1 72 72 VAL HG21 H 1 1.311 0.020 . 2 . . . . . 72 VAL HG2 . 16018 1 439 . 1 1 72 72 VAL HG22 H 1 1.311 0.020 . 2 . . . . . 72 VAL HG2 . 16018 1 440 . 1 1 72 72 VAL HG23 H 1 1.311 0.020 . 2 . . . . . 72 VAL HG2 . 16018 1 441 . 1 1 73 73 GLY H H 1 9.221 0.020 . 1 . . . . . 73 GLY H . 16018 1 442 . 1 1 73 73 GLY HA2 H 1 3.877 0.020 . 2 . . . . . 73 GLY HA2 . 16018 1 443 . 1 1 73 73 GLY HA3 H 1 4.682 0.020 . 2 . . . . . 73 GLY HA3 . 16018 1 444 . 1 1 74 74 LYS H H 1 7.962 0.020 . 1 . . . . . 74 LYS H . 16018 1 445 . 1 1 74 74 LYS HA H 1 4.469 0.020 . 1 . . . . . 74 LYS HA . 16018 1 446 . 1 1 74 74 LYS HB2 H 1 0.769 0.020 . 1 . . . . . 74 LYS HB2 . 16018 1 447 . 1 1 74 74 LYS HB3 H 1 1.481 0.020 . 1 . . . . . 74 LYS HB3 . 16018 1 448 . 1 1 74 74 LYS HD2 H 1 0.534 0.020 . 1 . . . . . 74 LYS HD2 . 16018 1 449 . 1 1 74 74 LYS HD3 H 1 0.381 0.020 . 1 . . . . . 74 LYS HD3 . 16018 1 450 . 1 1 74 74 LYS HE2 H 1 2.488 0.020 . 2 . . . . . 74 LYS HE2 . 16018 1 451 . 1 1 74 74 LYS HE3 H 1 2.980 0.020 . 2 . . . . . 74 LYS HE3 . 16018 1 452 . 1 1 74 74 LYS HG2 H 1 1.642 0.020 . 1 . . . . . 74 LYS HG2 . 16018 1 453 . 1 1 74 74 LYS HG3 H 1 1.476 0.020 . 1 . . . . . 74 LYS HG3 . 16018 1 454 . 1 1 74 74 LYS HZ1 H 1 7.790 0.020 . 1 . . . . . 74 LYS HZ . 16018 1 455 . 1 1 74 74 LYS HZ2 H 1 7.790 0.020 . 1 . . . . . 74 LYS HZ . 16018 1 456 . 1 1 74 74 LYS HZ3 H 1 7.790 0.020 . 1 . . . . . 74 LYS HZ . 16018 1 457 . 1 1 75 75 ASN H H 1 8.928 0.020 . 1 . . . . . 75 ASN H . 16018 1 458 . 1 1 75 75 ASN HA H 1 4.837 0.020 . 1 . . . . . 75 ASN HA . 16018 1 459 . 1 1 75 75 ASN HB2 H 1 2.832 0.020 . 2 . . . . . 75 ASN HB2 . 16018 1 460 . 1 1 75 75 ASN HB3 H 1 3.010 0.020 . 2 . . . . . 75 ASN HB3 . 16018 1 461 . 1 1 75 75 ASN HD21 H 1 7.055 0.020 . 2 . . . . . 75 ASN HD21 . 16018 1 462 . 1 1 75 75 ASN HD22 H 1 7.718 0.020 . 2 . . . . . 75 ASN HD22 . 16018 1 463 . 1 1 76 76 ALA H H 1 7.544 0.020 . 1 . . . . . 76 ALA H . 16018 1 464 . 1 1 76 76 ALA HA H 1 4.555 0.020 . 1 . . . . . 76 ALA HA . 16018 1 465 . 1 1 76 76 ALA HB1 H 1 0.536 0.020 . 1 . . . . . 76 ALA HB . 16018 1 466 . 1 1 76 76 ALA HB2 H 1 0.536 0.020 . 1 . . . . . 76 ALA HB . 16018 1 467 . 1 1 76 76 ALA HB3 H 1 0.536 0.020 . 1 . . . . . 76 ALA HB . 16018 1 468 . 1 1 77 77 GLU H H 1 8.290 0.020 . 1 . . . . . 77 GLU H . 16018 1 469 . 1 1 77 77 GLU HA H 1 4.900 0.020 . 1 . . . . . 77 GLU HA . 16018 1 470 . 1 1 77 77 GLU HB2 H 1 2.245 0.020 . 2 . . . . . 77 GLU HB2 . 16018 1 471 . 1 1 77 77 GLU HB3 H 1 2.293 0.020 . 2 . . . . . 77 GLU HB3 . 16018 1 472 . 1 1 77 77 GLU HG2 H 1 2.401 0.020 . 2 . . . . . 77 GLU HG2 . 16018 1 473 . 1 1 77 77 GLU HG3 H 1 2.430 0.020 . 2 . . . . . 77 GLU HG3 . 16018 1 474 . 1 1 78 78 TRP H H 1 10.065 0.020 . 1 . . . . . 78 TRP H . 16018 1 475 . 1 1 78 78 TRP HA H 1 4.600 0.020 . 1 . . . . . 78 TRP HA . 16018 1 476 . 1 1 78 78 TRP HB2 H 1 2.755 0.020 . 1 . . . . . 78 TRP HB2 . 16018 1 477 . 1 1 78 78 TRP HB3 H 1 3.333 0.020 . 1 . . . . . 78 TRP HB3 . 16018 1 478 . 1 1 78 78 TRP HD1 H 1 6.871 0.020 . 1 . . . . . 78 TRP HD1 . 16018 1 479 . 1 1 78 78 TRP HE1 H 1 9.823 0.020 . 1 . . . . . 78 TRP HE1 . 16018 1 480 . 1 1 78 78 TRP HE3 H 1 7.735 0.020 . 1 . . . . . 78 TRP HE3 . 16018 1 481 . 1 1 78 78 TRP HH2 H 1 7.454 0.020 . 1 . . . . . 78 TRP HH2 . 16018 1 482 . 1 1 78 78 TRP HZ2 H 1 7.828 0.020 . 1 . . . . . 78 TRP HZ2 . 16018 1 483 . 1 1 78 78 TRP HZ3 H 1 7.412 0.020 . 1 . . . . . 78 TRP HZ3 . 16018 1 484 . 1 1 79 79 ALA H H 1 9.850 0.020 . 1 . . . . . 79 ALA H . 16018 1 485 . 1 1 79 79 ALA HA H 1 5.022 0.020 . 1 . . . . . 79 ALA HA . 16018 1 486 . 1 1 79 79 ALA HB1 H 1 1.614 0.020 . 1 . . . . . 79 ALA HB . 16018 1 487 . 1 1 79 79 ALA HB2 H 1 1.614 0.020 . 1 . . . . . 79 ALA HB . 16018 1 488 . 1 1 79 79 ALA HB3 H 1 1.614 0.020 . 1 . . . . . 79 ALA HB . 16018 1 489 . 1 1 80 80 LYS H H 1 9.255 0.020 . 1 . . . . . 80 LYS H . 16018 1 490 . 1 1 80 80 LYS HA H 1 4.511 0.020 . 1 . . . . . 80 LYS HA . 16018 1 491 . 1 1 80 80 LYS HB2 H 1 2.232 0.020 . 2 . . . . . 80 LYS HB2 . 16018 1 492 . 1 1 80 80 LYS HB3 H 1 2.570 0.020 . 2 . . . . . 80 LYS HB3 . 16018 1 493 . 1 1 80 80 LYS HD2 H 1 1.822 0.020 . 2 . . . . . 80 LYS HD2 . 16018 1 494 . 1 1 81 81 ASP H H 1 9.332 0.020 . 1 . . . . . 81 ASP H . 16018 1 495 . 1 1 81 81 ASP HA H 1 5.429 0.020 . 1 . . . . . 81 ASP HA . 16018 1 496 . 1 1 81 81 ASP HB2 H 1 2.785 0.020 . 2 . . . . . 81 ASP HB2 . 16018 1 497 . 1 1 81 81 ASP HB3 H 1 3.324 0.020 . 2 . . . . . 81 ASP HB3 . 16018 1 498 . 1 1 82 82 VAL H H 1 7.226 0.020 . 1 . . . . . 82 VAL H . 16018 1 499 . 1 1 82 82 VAL HA H 1 4.248 0.020 . 1 . . . . . 82 VAL HA . 16018 1 500 . 1 1 82 82 VAL HB H 1 1.875 0.020 . 1 . . . . . 82 VAL HB . 16018 1 501 . 1 1 82 82 VAL HG11 H 1 0.978 0.020 . 2 . . . . . 82 VAL HG1 . 16018 1 502 . 1 1 82 82 VAL HG12 H 1 0.978 0.020 . 2 . . . . . 82 VAL HG1 . 16018 1 503 . 1 1 82 82 VAL HG13 H 1 0.978 0.020 . 2 . . . . . 82 VAL HG1 . 16018 1 504 . 1 1 82 82 VAL HG21 H 1 1.008 0.020 . 2 . . . . . 82 VAL HG2 . 16018 1 505 . 1 1 82 82 VAL HG22 H 1 1.008 0.020 . 2 . . . . . 82 VAL HG2 . 16018 1 506 . 1 1 82 82 VAL HG23 H 1 1.008 0.020 . 2 . . . . . 82 VAL HG2 . 16018 1 507 . 1 1 83 83 LYS H H 1 8.407 0.020 . 1 . . . . . 83 LYS H . 16018 1 508 . 1 1 83 83 LYS HA H 1 4.356 0.020 . 1 . . . . . 83 LYS HA . 16018 1 509 . 1 1 83 83 LYS HB2 H 1 2.109 0.020 . 2 . . . . . 83 LYS HB2 . 16018 1 510 . 1 1 84 84 THR H H 1 9.088 0.020 . 1 . . . . . 84 THR H . 16018 1 511 . 1 1 84 84 THR HA H 1 3.989 0.020 . 1 . . . . . 84 THR HA . 16018 1 512 . 1 1 84 84 THR HB H 1 4.581 0.020 . 1 . . . . . 84 THR HB . 16018 1 513 . 1 1 84 84 THR HG21 H 1 1.801 0.020 . 1 . . . . . 84 THR HG2 . 16018 1 514 . 1 1 84 84 THR HG22 H 1 1.801 0.020 . 1 . . . . . 84 THR HG2 . 16018 1 515 . 1 1 84 84 THR HG23 H 1 1.801 0.020 . 1 . . . . . 84 THR HG2 . 16018 1 516 . 1 1 85 85 SER H H 1 8.391 0.020 . 1 . . . . . 85 SER H . 16018 1 517 . 1 1 85 85 SER HA H 1 4.442 0.020 . 1 . . . . . 85 SER HA . 16018 1 518 . 1 1 85 85 SER HB2 H 1 4.126 0.020 . 2 . . . . . 85 SER HB2 . 16018 1 519 . 1 1 85 85 SER HB3 H 1 4.245 0.020 . 2 . . . . . 85 SER HB3 . 16018 1 520 . 1 1 86 86 GLN H H 1 7.974 0.020 . 1 . . . . . 86 GLN H . 16018 1 521 . 1 1 86 86 GLN HA H 1 4.585 0.020 . 1 . . . . . 86 GLN HA . 16018 1 522 . 1 1 86 86 GLN HB2 H 1 1.903 0.020 . 2 . . . . . 86 GLN HB2 . 16018 1 523 . 1 1 86 86 GLN HB3 H 1 1.903 0.020 . 2 . . . . . 86 GLN HB3 . 16018 1 524 . 1 1 86 86 GLN HE21 H 1 7.062 0.020 . 2 . . . . . 86 GLN HE21 . 16018 1 525 . 1 1 86 86 GLN HE22 H 1 7.669 0.020 . 2 . . . . . 86 GLN HE22 . 16018 1 526 . 1 1 86 86 GLN HG2 H 1 2.446 0.020 . 2 . . . . . 86 GLN HG2 . 16018 1 527 . 1 1 87 87 GLN H H 1 7.083 0.020 . 1 . . . . . 87 GLN H . 16018 1 528 . 1 1 87 87 GLN HA H 1 3.903 0.020 . 1 . . . . . 87 GLN HA . 16018 1 529 . 1 1 87 87 GLN HB2 H 1 2.069 0.020 . 1 . . . . . 87 GLN HB2 . 16018 1 530 . 1 1 87 87 GLN HB3 H 1 1.522 0.020 . 1 . . . . . 87 GLN HB3 . 16018 1 531 . 1 1 87 87 GLN HE21 H 1 5.577 0.020 . 1 . . . . . 87 GLN HE21 . 16018 1 532 . 1 1 87 87 GLN HE22 H 1 7.885 0.020 . 1 . . . . . 87 GLN HE22 . 16018 1 533 . 1 1 87 87 GLN HG2 H 1 2.220 0.020 . 2 . . . . . 87 GLN HG2 . 16018 1 534 . 1 1 88 88 LYS H H 1 9.453 0.020 . 1 . . . . . 88 LYS H . 16018 1 535 . 1 1 88 88 LYS HA H 1 4.114 0.020 . 1 . . . . . 88 LYS HA . 16018 1 536 . 1 1 88 88 LYS HB2 H 1 2.005 0.020 . 2 . . . . . 88 LYS HB2 . 16018 1 537 . 1 1 88 88 LYS HD2 H 1 1.886 0.020 . 2 . . . . . 88 LYS HD2 . 16018 1 538 . 1 1 88 88 LYS HG2 H 1 1.669 0.020 . 2 . . . . . 88 LYS HG2 . 16018 1 539 . 1 1 89 89 GLY H H 1 9.466 0.020 . 1 . . . . . 89 GLY H . 16018 1 540 . 1 1 89 89 GLY HA2 H 1 3.965 0.020 . 1 . . . . . 89 GLY HA2 . 16018 1 541 . 1 1 89 89 GLY HA3 H 1 3.148 0.020 . 1 . . . . . 89 GLY HA3 . 16018 1 542 . 1 1 90 90 GLY H H 1 7.228 0.020 . 1 . . . . . 90 GLY H . 16018 1 543 . 1 1 90 90 GLY HA2 H 1 4.290 0.020 . 2 . . . . . 90 GLY HA2 . 16018 1 544 . 1 1 90 90 GLY HA3 H 1 4.682 0.020 . 2 . . . . . 90 GLY HA3 . 16018 1 545 . 1 1 91 91 PRO HA H 1 4.902 0.020 . 1 . . . . . 91 PRO HA . 16018 1 546 . 1 1 91 91 PRO HB2 H 1 2.426 0.020 . 2 . . . . . 91 PRO HB2 . 16018 1 547 . 1 1 91 91 PRO HB3 H 1 2.772 0.020 . 2 . . . . . 91 PRO HB3 . 16018 1 548 . 1 1 91 91 PRO HD2 H 1 3.993 0.020 . 2 . . . . . 91 PRO HD2 . 16018 1 549 . 1 1 91 91 PRO HD3 H 1 4.086 0.020 . 2 . . . . . 91 PRO HD3 . 16018 1 550 . 1 1 91 91 PRO HG2 H 1 2.154 0.020 . 2 . . . . . 91 PRO HG2 . 16018 1 551 . 1 1 91 91 PRO HG3 H 1 2.309 0.020 . 2 . . . . . 91 PRO HG3 . 16018 1 552 . 1 1 92 92 THR H H 1 8.585 0.020 . 1 . . . . . 92 THR H . 16018 1 553 . 1 1 92 92 THR HA H 1 5.701 0.020 . 1 . . . . . 92 THR HA . 16018 1 554 . 1 1 92 92 THR HB H 1 4.466 0.020 . 1 . . . . . 92 THR HB . 16018 1 555 . 1 1 92 92 THR HG1 H 1 5.545 0.020 . 1 . . . . . 92 THR HG1 . 16018 1 556 . 1 1 92 92 THR HG21 H 1 0.727 0.020 . 1 . . . . . 92 THR HG2 . 16018 1 557 . 1 1 92 92 THR HG22 H 1 0.727 0.020 . 1 . . . . . 92 THR HG2 . 16018 1 558 . 1 1 92 92 THR HG23 H 1 0.727 0.020 . 1 . . . . . 92 THR HG2 . 16018 1 559 . 1 1 93 93 PRO HA H 1 5.551 0.020 . 1 . . . . . 93 PRO HA . 16018 1 560 . 1 1 93 93 PRO HB2 H 1 2.115 0.020 . 2 . . . . . 93 PRO HB2 . 16018 1 561 . 1 1 93 93 PRO HD2 H 1 3.895 0.020 . 1 . . . . . 93 PRO HD2 . 16018 1 562 . 1 1 93 93 PRO HD3 H 1 4.302 0.020 . 1 . . . . . 93 PRO HD3 . 16018 1 563 . 1 1 94 94 ILE H H 1 8.155 0.020 . 1 . . . . . 94 ILE H . 16018 1 564 . 1 1 94 94 ILE HA H 1 4.794 0.020 . 1 . . . . . 94 ILE HA . 16018 1 565 . 1 1 94 94 ILE HB H 1 2.124 0.020 . 1 . . . . . 94 ILE HB . 16018 1 566 . 1 1 94 94 ILE HD11 H 1 0.815 0.020 . 1 . . . . . 94 ILE HD1 . 16018 1 567 . 1 1 94 94 ILE HD12 H 1 0.815 0.020 . 1 . . . . . 94 ILE HD1 . 16018 1 568 . 1 1 94 94 ILE HD13 H 1 0.815 0.020 . 1 . . . . . 94 ILE HD1 . 16018 1 569 . 1 1 94 94 ILE HG12 H 1 1.163 0.020 . 1 . . . . . 94 ILE HG12 . 16018 1 570 . 1 1 94 94 ILE HG13 H 1 1.488 0.020 . 1 . . . . . 94 ILE HG13 . 16018 1 571 . 1 1 95 95 ARG H H 1 9.538 0.020 . 1 . . . . . 95 ARG H . 16018 1 572 . 1 1 95 95 ARG HA H 1 5.278 0.020 . 1 . . . . . 95 ARG HA . 16018 1 573 . 1 1 95 95 ARG HB2 H 1 1.692 0.020 . 2 . . . . . 95 ARG HB2 . 16018 1 574 . 1 1 95 95 ARG HD2 H 1 1.505 0.020 . 2 . . . . . 95 ARG HD2 . 16018 1 575 . 1 1 95 95 ARG HG2 H 1 1.430 0.020 . 2 . . . . . 95 ARG HG2 . 16018 1 576 . 1 1 96 96 VAL H H 1 9.276 0.020 . 1 . . . . . 96 VAL H . 16018 1 577 . 1 1 96 96 VAL HA H 1 5.222 0.020 . 1 . . . . . 96 VAL HA . 16018 1 578 . 1 1 96 96 VAL HB H 1 2.358 0.020 . 1 . . . . . 96 VAL HB . 16018 1 579 . 1 1 96 96 VAL HG11 H 1 1.463 0.020 . 2 . . . . . 96 VAL HG1 . 16018 1 580 . 1 1 96 96 VAL HG12 H 1 1.463 0.020 . 2 . . . . . 96 VAL HG1 . 16018 1 581 . 1 1 96 96 VAL HG13 H 1 1.463 0.020 . 2 . . . . . 96 VAL HG1 . 16018 1 582 . 1 1 96 96 VAL HG21 H 1 1.513 0.020 . 2 . . . . . 96 VAL HG2 . 16018 1 583 . 1 1 96 96 VAL HG22 H 1 1.513 0.020 . 2 . . . . . 96 VAL HG2 . 16018 1 584 . 1 1 96 96 VAL HG23 H 1 1.513 0.020 . 2 . . . . . 96 VAL HG2 . 16018 1 585 . 1 1 97 97 VAL H H 1 8.739 0.020 . 1 . . . . . 97 VAL H . 16018 1 586 . 1 1 97 97 VAL HA H 1 5.160 0.020 . 1 . . . . . 97 VAL HA . 16018 1 587 . 1 1 97 97 VAL HB H 1 0.622 0.020 . 1 . . . . . 97 VAL HB . 16018 1 588 . 1 1 97 97 VAL HG11 H 1 0.533 0.020 . 1 . . . . . 97 VAL HG1 . 16018 1 589 . 1 1 97 97 VAL HG12 H 1 0.533 0.020 . 1 . . . . . 97 VAL HG1 . 16018 1 590 . 1 1 97 97 VAL HG13 H 1 0.533 0.020 . 1 . . . . . 97 VAL HG1 . 16018 1 591 . 1 1 97 97 VAL HG21 H 1 0.661 0.020 . 1 . . . . . 97 VAL HG2 . 16018 1 592 . 1 1 97 97 VAL HG22 H 1 0.661 0.020 . 1 . . . . . 97 VAL HG2 . 16018 1 593 . 1 1 97 97 VAL HG23 H 1 0.661 0.020 . 1 . . . . . 97 VAL HG2 . 16018 1 594 . 1 1 98 98 TYR H H 1 8.596 0.020 . 1 . . . . . 98 TYR H . 16018 1 595 . 1 1 98 98 TYR HA H 1 5.266 0.020 . 1 . . . . . 98 TYR HA . 16018 1 596 . 1 1 98 98 TYR HB2 H 1 2.760 0.020 . 2 . . . . . 98 TYR HB2 . 16018 1 597 . 1 1 98 98 TYR HB3 H 1 2.760 0.020 . 2 . . . . . 98 TYR HB3 . 16018 1 598 . 1 1 98 98 TYR HD1 H 1 6.672 0.020 . 3 . . . . . 98 TYR HD1 . 16018 1 599 . 1 1 98 98 TYR HD2 H 1 6.504 0.020 . 3 . . . . . 98 TYR HD2 . 16018 1 600 . 1 1 98 98 TYR HE1 H 1 6.498 0.020 . 3 . . . . . 98 TYR HE1 . 16018 1 601 . 1 1 98 98 TYR HE2 H 1 6.167 0.020 . 3 . . . . . 98 TYR HE2 . 16018 1 602 . 1 1 98 98 TYR HH H 1 8.986 0.020 . 1 . . . . . 98 TYR HH . 16018 1 603 . 1 1 99 99 ALA H H 1 9.685 0.020 . 1 . . . . . 99 ALA H . 16018 1 604 . 1 1 99 99 ALA HA H 1 5.680 0.020 . 1 . . . . . 99 ALA HA . 16018 1 605 . 1 1 99 99 ALA HB1 H 1 1.348 0.020 . 1 . . . . . 99 ALA HB . 16018 1 606 . 1 1 99 99 ALA HB2 H 1 1.348 0.020 . 1 . . . . . 99 ALA HB . 16018 1 607 . 1 1 99 99 ALA HB3 H 1 1.348 0.020 . 1 . . . . . 99 ALA HB . 16018 1 608 . 1 1 100 100 ASN H H 1 8.468 0.020 . 1 . . . . . 100 ASN H . 16018 1 609 . 1 1 100 100 ASN HA H 1 4.885 0.020 . 1 . . . . . 100 ASN HA . 16018 1 610 . 1 1 100 100 ASN HB2 H 1 3.379 0.020 . 1 . . . . . 100 ASN HB2 . 16018 1 611 . 1 1 100 100 ASN HB3 H 1 2.747 0.020 . 1 . . . . . 100 ASN HB3 . 16018 1 612 . 1 1 100 100 ASN HD21 H 1 7.103 0.020 . 2 . . . . . 100 ASN HD21 . 16018 1 613 . 1 1 100 100 ASN HD22 H 1 8.179 0.020 . 2 . . . . . 100 ASN HD22 . 16018 1 614 . 1 1 101 101 SER H H 1 9.342 0.020 . 1 . . . . . 101 SER H . 16018 1 615 . 1 1 101 101 SER HA H 1 4.993 0.020 . 1 . . . . . 101 SER HA . 16018 1 616 . 1 1 101 101 SER HB2 H 1 3.749 0.020 . 2 . . . . . 101 SER HB2 . 16018 1 617 . 1 1 101 101 SER HB3 H 1 4.013 0.020 . 2 . . . . . 101 SER HB3 . 16018 1 618 . 1 1 102 102 ARG H H 1 9.349 0.020 . 1 . . . . . 102 ARG H . 16018 1 619 . 1 1 102 102 ARG HA H 1 4.068 0.020 . 1 . . . . . 102 ARG HA . 16018 1 620 . 1 1 103 103 GLY H H 1 8.632 0.020 . 1 . . . . . 103 GLY H . 16018 1 621 . 1 1 103 103 GLY HA2 H 1 3.691 0.020 . 1 . . . . . 103 GLY HA2 . 16018 1 622 . 1 1 103 103 GLY HA3 H 1 4.341 0.020 . 1 . . . . . 103 GLY HA3 . 16018 1 623 . 1 1 104 104 ALA H H 1 7.820 0.020 . 1 . . . . . 104 ALA H . 16018 1 624 . 1 1 104 104 ALA HA H 1 4.775 0.020 . 1 . . . . . 104 ALA HA . 16018 1 625 . 1 1 104 104 ALA HB1 H 1 1.533 0.020 . 1 . . . . . 104 ALA HB . 16018 1 626 . 1 1 104 104 ALA HB2 H 1 1.533 0.020 . 1 . . . . . 104 ALA HB . 16018 1 627 . 1 1 104 104 ALA HB3 H 1 1.533 0.020 . 1 . . . . . 104 ALA HB . 16018 1 628 . 1 1 105 105 VAL H H 1 8.402 0.020 . 1 . . . . . 105 VAL H . 16018 1 629 . 1 1 105 105 VAL HA H 1 4.218 0.020 . 1 . . . . . 105 VAL HA . 16018 1 630 . 1 1 105 105 VAL HB H 1 1.914 0.020 . 1 . . . . . 105 VAL HB . 16018 1 631 . 1 1 105 105 VAL HG11 H 1 0.565 0.020 . 2 . . . . . 105 VAL HG1 . 16018 1 632 . 1 1 105 105 VAL HG12 H 1 0.565 0.020 . 2 . . . . . 105 VAL HG1 . 16018 1 633 . 1 1 105 105 VAL HG13 H 1 0.565 0.020 . 2 . . . . . 105 VAL HG1 . 16018 1 634 . 1 1 105 105 VAL HG21 H 1 0.907 0.020 . 2 . . . . . 105 VAL HG2 . 16018 1 635 . 1 1 105 105 VAL HG22 H 1 0.907 0.020 . 2 . . . . . 105 VAL HG2 . 16018 1 636 . 1 1 105 105 VAL HG23 H 1 0.907 0.020 . 2 . . . . . 105 VAL HG2 . 16018 1 637 . 1 1 106 106 GLN H H 1 9.352 0.020 . 1 . . . . . 106 GLN H . 16018 1 638 . 1 1 106 106 GLN HA H 1 4.900 0.020 . 1 . . . . . 106 GLN HA . 16018 1 639 . 1 1 106 106 GLN HB2 H 1 1.983 0.020 . 1 . . . . . 106 GLN HB2 . 16018 1 640 . 1 1 106 106 GLN HB3 H 1 2.029 0.020 . 1 . . . . . 106 GLN HB3 . 16018 1 641 . 1 1 106 106 GLN HE21 H 1 7.603 0.020 . 2 . . . . . 106 GLN HE21 . 16018 1 642 . 1 1 106 106 GLN HE22 H 1 7.029 0.020 . 2 . . . . . 106 GLN HE22 . 16018 1 643 . 1 1 106 106 GLN HG2 H 1 2.539 0.020 . 1 . . . . . 106 GLN HG2 . 16018 1 644 . 1 1 106 106 GLN HG3 H 1 2.340 0.020 . 1 . . . . . 106 GLN HG3 . 16018 1 645 . 1 1 107 107 TYR H H 1 9.075 0.020 . 1 . . . . . 107 TYR H . 16018 1 646 . 1 1 107 107 TYR HA H 1 4.007 0.020 . 1 . . . . . 107 TYR HA . 16018 1 647 . 1 1 107 107 TYR HB2 H 1 2.982 0.020 . 1 . . . . . 107 TYR HB2 . 16018 1 648 . 1 1 107 107 TYR HB3 H 1 3.242 0.020 . 1 . . . . . 107 TYR HB3 . 16018 1 649 . 1 1 107 107 TYR HD1 H 1 6.951 0.020 . 1 . . . . . 107 TYR HD1 . 16018 1 650 . 1 1 107 107 TYR HD2 H 1 6.951 0.020 . 1 . . . . . 107 TYR HD2 . 16018 1 651 . 1 1 107 107 TYR HE1 H 1 6.852 0.020 . 1 . . . . . 107 TYR HE1 . 16018 1 652 . 1 1 107 107 TYR HE2 H 1 6.852 0.020 . 1 . . . . . 107 TYR HE2 . 16018 1 653 . 1 1 108 108 CYS H H 1 8.197 0.020 . 1 . . . . . 108 CYSS H . 16018 1 654 . 1 1 108 108 CYS HA H 1 4.823 0.020 . 1 . . . . . 108 CYSS HA . 16018 1 655 . 1 1 108 108 CYS HB2 H 1 1.831 0.020 . 1 . . . . . 108 CYSS HB2 . 16018 1 656 . 1 1 108 108 CYS HB3 H 1 1.532 0.020 . 1 . . . . . 108 CYSS HB3 . 16018 1 657 . 1 1 109 109 GLY H H 1 6.856 0.020 . 1 . . . . . 109 GLY H . 16018 1 658 . 1 1 109 109 GLY HA2 H 1 3.983 0.020 . 2 . . . . . 109 GLY HA2 . 16018 1 659 . 1 1 109 109 GLY HA3 H 1 4.422 0.020 . 2 . . . . . 109 GLY HA3 . 16018 1 660 . 1 1 110 110 VAL H H 1 9.418 0.020 . 1 . . . . . 110 VAL H . 16018 1 661 . 1 1 110 110 VAL HA H 1 5.073 0.020 . 1 . . . . . 110 VAL HA . 16018 1 662 . 1 1 110 110 VAL HB H 1 2.032 0.020 . 1 . . . . . 110 VAL HB . 16018 1 663 . 1 1 110 110 VAL HG11 H 1 1.244 0.020 . 1 . . . . . 110 VAL HG1 . 16018 1 664 . 1 1 110 110 VAL HG12 H 1 1.244 0.020 . 1 . . . . . 110 VAL HG1 . 16018 1 665 . 1 1 110 110 VAL HG13 H 1 1.244 0.020 . 1 . . . . . 110 VAL HG1 . 16018 1 666 . 1 1 110 110 VAL HG21 H 1 1.309 0.020 . 1 . . . . . 110 VAL HG2 . 16018 1 667 . 1 1 110 110 VAL HG22 H 1 1.309 0.020 . 1 . . . . . 110 VAL HG2 . 16018 1 668 . 1 1 110 110 VAL HG23 H 1 1.309 0.020 . 1 . . . . . 110 VAL HG2 . 16018 1 669 . 1 1 111 111 MET H H 1 9.327 0.020 . 1 . . . . . 111 MET H . 16018 1 670 . 1 1 111 111 MET HA H 1 5.678 0.020 . 1 . . . . . 111 MET HA . 16018 1 671 . 1 1 111 111 MET HB2 H 1 1.958 0.020 . 1 . . . . . 111 MET HB2 . 16018 1 672 . 1 1 111 111 MET HB3 H 1 1.908 0.020 . 1 . . . . . 111 MET HB3 . 16018 1 673 . 1 1 111 111 MET HE1 H 1 -0.072 0.020 . 1 . . . . . 111 MET HE . 16018 1 674 . 1 1 111 111 MET HE2 H 1 -0.072 0.020 . 1 . . . . . 111 MET HE . 16018 1 675 . 1 1 111 111 MET HE3 H 1 -0.072 0.020 . 1 . . . . . 111 MET HE . 16018 1 676 . 1 1 111 111 MET HG2 H 1 2.337 0.020 . 2 . . . . . 111 MET HG2 . 16018 1 677 . 1 1 111 111 MET HG3 H 1 1.660 0.020 . 2 . . . . . 111 MET HG3 . 16018 1 678 . 1 1 112 112 THR H H 1 9.310 0.020 . 1 . . . . . 112 THR H . 16018 1 679 . 1 1 112 112 THR HA H 1 5.726 0.020 . 1 . . . . . 112 THR HA . 16018 1 680 . 1 1 112 112 THR HB H 1 3.818 0.020 . 1 . . . . . 112 THR HB . 16018 1 681 . 1 1 112 112 THR HG1 H 1 4.149 0.020 . 1 . . . . . 112 THR HG1 . 16018 1 682 . 1 1 112 112 THR HG21 H 1 1.182 0.020 . 1 . . . . . 112 THR HG2 . 16018 1 683 . 1 1 112 112 THR HG22 H 1 1.182 0.020 . 1 . . . . . 112 THR HG2 . 16018 1 684 . 1 1 112 112 THR HG23 H 1 1.182 0.020 . 1 . . . . . 112 THR HG2 . 16018 1 685 . 1 1 113 113 HIS H H 1 8.960 0.020 . 1 . . . . . 113 HIS H . 16018 1 686 . 1 1 113 113 HIS HA H 1 3.876 0.020 . 1 . . . . . 113 HIS HA . 16018 1 687 . 1 1 113 113 HIS HB2 H 1 2.692 0.020 . 1 . . . . . 113 HIS HB2 . 16018 1 688 . 1 1 113 113 HIS HB3 H 1 3.782 0.020 . 1 . . . . . 113 HIS HB3 . 16018 1 689 . 1 1 113 113 HIS HD2 H 1 7.200 0.020 . 1 . . . . . 113 HIS HD2 . 16018 1 690 . 1 1 113 113 HIS HE1 H 1 8.665 0.020 . 1 . . . . . 113 HIS HE1 . 16018 1 691 . 1 1 114 114 SER H H 1 8.367 0.020 . 1 . . . . . 114 SER H . 16018 1 692 . 1 1 114 114 SER HA H 1 4.024 0.020 . 1 . . . . . 114 SER HA . 16018 1 693 . 1 1 114 114 SER HB2 H 1 3.288 0.020 . 2 . . . . . 114 SER HB2 . 16018 1 694 . 1 1 114 114 SER HB3 H 1 3.591 0.020 . 2 . . . . . 114 SER HB3 . 16018 1 695 . 1 1 115 115 LYS H H 1 8.140 0.020 . 1 . . . . . 115 LYS H . 16018 1 696 . 1 1 115 115 LYS HA H 1 5.403 0.020 . 1 . . . . . 115 LYS HA . 16018 1 697 . 1 1 115 115 LYS HB2 H 1 1.639 0.020 . 2 . . . . . 115 LYS HB2 . 16018 1 698 . 1 1 115 115 LYS HB3 H 1 1.763 0.020 . 2 . . . . . 115 LYS HB3 . 16018 1 699 . 1 1 116 116 VAL H H 1 8.525 0.020 . 1 . . . . . 116 VAL H . 16018 1 700 . 1 1 116 116 VAL HA H 1 5.378 0.020 . 1 . . . . . 116 VAL HA . 16018 1 701 . 1 1 116 116 VAL HB H 1 1.839 0.020 . 1 . . . . . 116 VAL HB . 16018 1 702 . 1 1 116 116 VAL HG11 H 1 0.868 0.020 . 2 . . . . . 116 VAL HG1 . 16018 1 703 . 1 1 116 116 VAL HG12 H 1 0.868 0.020 . 2 . . . . . 116 VAL HG1 . 16018 1 704 . 1 1 116 116 VAL HG13 H 1 0.868 0.020 . 2 . . . . . 116 VAL HG1 . 16018 1 705 . 1 1 116 116 VAL HG21 H 1 1.121 0.020 . 2 . . . . . 116 VAL HG2 . 16018 1 706 . 1 1 116 116 VAL HG22 H 1 1.121 0.020 . 2 . . . . . 116 VAL HG2 . 16018 1 707 . 1 1 116 116 VAL HG23 H 1 1.121 0.020 . 2 . . . . . 116 VAL HG2 . 16018 1 708 . 1 1 117 117 ASP H H 1 8.025 0.020 . 1 . . . . . 117 ASP H . 16018 1 709 . 1 1 117 117 ASP HA H 1 5.243 0.020 . 1 . . . . . 117 ASP HA . 16018 1 710 . 1 1 117 117 ASP HB2 H 1 2.821 0.020 . 2 . . . . . 117 ASP HB2 . 16018 1 711 . 1 1 117 117 ASP HB3 H 1 3.449 0.020 . 2 . . . . . 117 ASP HB3 . 16018 1 712 . 1 1 118 118 LYS H H 1 8.930 0.020 . 1 . . . . . 118 LYS H . 16018 1 713 . 1 1 118 118 LYS HA H 1 4.216 0.020 . 1 . . . . . 118 LYS HA . 16018 1 714 . 1 1 118 118 LYS HB2 H 1 2.033 0.020 . 2 . . . . . 118 LYS HB2 . 16018 1 715 . 1 1 118 118 LYS HB3 H 1 2.138 0.020 . 2 . . . . . 118 LYS HB3 . 16018 1 716 . 1 1 119 119 ASN H H 1 8.425 0.020 . 1 . . . . . 119 ASN H . 16018 1 717 . 1 1 119 119 ASN HA H 1 5.061 0.020 . 1 . . . . . 119 ASN HA . 16018 1 718 . 1 1 119 119 ASN HB2 H 1 3.039 0.020 . 2 . . . . . 119 ASN HB2 . 16018 1 719 . 1 1 119 119 ASN HB3 H 1 3.223 0.020 . 2 . . . . . 119 ASN HB3 . 16018 1 720 . 1 1 119 119 ASN HD21 H 1 7.177 0.020 . 1 . . . . . 119 ASN HD21 . 16018 1 721 . 1 1 119 119 ASN HD22 H 1 7.957 0.020 . 1 . . . . . 119 ASN HD22 . 16018 1 722 . 1 1 120 120 ASN H H 1 8.061 0.020 . 1 . . . . . 120 ASN H . 16018 1 723 . 1 1 120 120 ASN HA H 1 4.212 0.020 . 1 . . . . . 120 ASN HA . 16018 1 724 . 1 1 120 120 ASN HB2 H 1 3.109 0.020 . 2 . . . . . 120 ASN HB2 . 16018 1 725 . 1 1 120 120 ASN HB3 H 1 3.879 0.020 . 2 . . . . . 120 ASN HB3 . 16018 1 726 . 1 1 120 120 ASN HD21 H 1 7.261 0.020 . 1 . . . . . 120 ASN HD21 . 16018 1 727 . 1 1 120 120 ASN HD22 H 1 8.242 0.020 . 1 . . . . . 120 ASN HD22 . 16018 1 728 . 1 1 121 121 GLN H H 1 8.359 0.020 . 1 . . . . . 121 GLN H . 16018 1 729 . 1 1 121 121 GLN HA H 1 4.373 0.020 . 1 . . . . . 121 GLN HA . 16018 1 730 . 1 1 121 121 GLN HB2 H 1 2.057 0.020 . 2 . . . . . 121 GLN HB2 . 16018 1 731 . 1 1 121 121 GLN HB3 H 1 2.416 0.020 . 2 . . . . . 121 GLN HB3 . 16018 1 732 . 1 1 121 121 GLN HE21 H 1 8.026 0.020 . 1 . . . . . 121 GLN HE21 . 16018 1 733 . 1 1 121 121 GLN HE22 H 1 7.183 0.020 . 1 . . . . . 121 GLN HE22 . 16018 1 734 . 1 1 121 121 GLN HG2 H 1 2.474 0.020 . 2 . . . . . 121 GLN HG2 . 16018 1 735 . 1 1 122 122 GLY H H 1 8.770 0.020 . 1 . . . . . 122 GLY H . 16018 1 736 . 1 1 122 122 GLY HA2 H 1 3.182 0.020 . 2 . . . . . 122 GLY HA2 . 16018 1 737 . 1 1 122 122 GLY HA3 H 1 5.268 0.020 . 2 . . . . . 122 GLY HA3 . 16018 1 738 . 1 1 123 123 LYS H H 1 8.587 0.020 . 1 . . . . . 123 LYS H . 16018 1 739 . 1 1 123 123 LYS HA H 1 4.016 0.020 . 1 . . . . . 123 LYS HA . 16018 1 740 . 1 1 123 123 LYS HB2 H 1 1.738 0.020 . 2 . . . . . 123 LYS HB2 . 16018 1 741 . 1 1 123 123 LYS HB3 H 1 1.941 0.020 . 2 . . . . . 123 LYS HB3 . 16018 1 742 . 1 1 123 123 LYS HE2 H 1 2.985 0.020 . 2 . . . . . 123 LYS HE2 . 16018 1 743 . 1 1 123 123 LYS HG2 H 1 1.290 0.020 . 1 . . . . . 123 LYS HG2 . 16018 1 744 . 1 1 123 123 LYS HG3 H 1 1.376 0.020 . 1 . . . . . 123 LYS HG3 . 16018 1 745 . 1 1 124 124 GLU H H 1 8.527 0.020 . 1 . . . . . 124 GLU H . 16018 1 746 . 1 1 124 124 GLU HA H 1 4.152 0.020 . 1 . . . . . 124 GLU HA . 16018 1 747 . 1 1 124 124 GLU HB2 H 1 2.202 0.020 . 2 . . . . . 124 GLU HB2 . 16018 1 748 . 1 1 124 124 GLU HB3 H 1 2.585 0.020 . 2 . . . . . 124 GLU HB3 . 16018 1 749 . 1 1 124 124 GLU HG2 H 1 2.361 0.020 . 2 . . . . . 124 GLU HG2 . 16018 1 750 . 1 1 125 125 PHE H H 1 7.936 0.020 . 1 . . . . . 125 PHE H . 16018 1 751 . 1 1 125 125 PHE HA H 1 4.670 0.020 . 1 . . . . . 125 PHE HA . 16018 1 752 . 1 1 125 125 PHE HB2 H 1 3.421 0.020 . 1 . . . . . 125 PHE HB2 . 16018 1 753 . 1 1 125 125 PHE HB3 H 1 3.782 0.020 . 1 . . . . . 125 PHE HB3 . 16018 1 754 . 1 1 125 125 PHE HD1 H 1 7.558 0.020 . 1 . . . . . 125 PHE HD1 . 16018 1 755 . 1 1 125 125 PHE HD2 H 1 7.558 0.020 . 1 . . . . . 125 PHE HD2 . 16018 1 756 . 1 1 125 125 PHE HE1 H 1 6.946 0.020 . 1 . . . . . 125 PHE HE1 . 16018 1 757 . 1 1 125 125 PHE HE2 H 1 6.946 0.020 . 1 . . . . . 125 PHE HE2 . 16018 1 758 . 1 1 126 126 PHE H H 1 8.214 0.020 . 1 . . . . . 126 PHE H . 16018 1 759 . 1 1 126 126 PHE HA H 1 5.177 0.020 . 1 . . . . . 126 PHE HA . 16018 1 760 . 1 1 126 126 PHE HB2 H 1 3.001 0.020 . 2 . . . . . 126 PHE HB2 . 16018 1 761 . 1 1 126 126 PHE HB3 H 1 3.098 0.020 . 2 . . . . . 126 PHE HB3 . 16018 1 762 . 1 1 126 126 PHE HD1 H 1 7.214 0.020 . 1 . . . . . 126 PHE HD1 . 16018 1 763 . 1 1 126 126 PHE HD2 H 1 7.214 0.020 . 1 . . . . . 126 PHE HD2 . 16018 1 764 . 1 1 126 126 PHE HE1 H 1 6.985 0.020 . 1 . . . . . 126 PHE HE1 . 16018 1 765 . 1 1 126 126 PHE HE2 H 1 6.985 0.020 . 1 . . . . . 126 PHE HE2 . 16018 1 766 . 1 1 126 126 PHE HZ H 1 6.784 0.020 . 1 . . . . . 126 PHE HZ . 16018 1 767 . 1 1 127 127 GLU H H 1 9.169 0.020 . 1 . . . . . 127 GLU H . 16018 1 768 . 1 1 127 127 GLU HA H 1 4.852 0.020 . 1 . . . . . 127 GLU HA . 16018 1 769 . 1 1 127 127 GLU HB2 H 1 2.174 0.020 . 2 . . . . . 127 GLU HB2 . 16018 1 770 . 1 1 127 127 GLU HB3 H 1 2.270 0.020 . 2 . . . . . 127 GLU HB3 . 16018 1 771 . 1 1 127 127 GLU HG2 H 1 2.367 0.020 . 2 . . . . . 127 GLU HG2 . 16018 1 772 . 1 1 127 127 GLU HG3 H 1 2.521 0.020 . 2 . . . . . 127 GLU HG3 . 16018 1 773 . 1 1 128 128 LYS H H 1 9.000 0.020 . 1 . . . . . 128 LYS H . 16018 1 774 . 1 1 128 128 LYS HA H 1 4.191 0.020 . 1 . . . . . 128 LYS HA . 16018 1 775 . 1 1 128 128 LYS HB2 H 1 1.814 0.020 . 2 . . . . . 128 LYS HB2 . 16018 1 776 . 1 1 128 128 LYS HG2 H 1 1.615 0.020 . 2 . . . . . 128 LYS HG2 . 16018 1 777 . 1 1 129 129 CYS H H 1 8.938 0.020 . 1 . . . . . 129 CYSS H . 16018 1 778 . 1 1 129 129 CYS HA H 1 5.268 0.020 . 1 . . . . . 129 CYSS HA . 16018 1 779 . 1 1 129 129 CYS HB2 H 1 3.501 0.020 . 1 . . . . . 129 CYSS HB2 . 16018 1 780 . 1 1 129 129 CYS HB3 H 1 2.533 0.020 . 1 . . . . . 129 CYSS HB3 . 16018 1 781 . 1 1 130 130 ASP H H 1 8.213 0.020 . 1 . . . . . 130 ASP H . 16018 1 782 . 1 1 130 130 ASP HA H 1 4.891 0.020 . 1 . . . . . 130 ASP HA . 16018 1 783 . 1 1 130 130 ASP HB2 H 1 2.989 0.020 . 2 . . . . . 130 ASP HB2 . 16018 1 stop_ save_