################################### # 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 17988 _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 TOCSY' . . . 17988 1 2 '2D 1H-1H NOESY' . . . 17988 1 3 '2D DQF-COSY' . . . 17988 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 ALA HA H 1 4.192 0.011 . 1 . . . A 1 ALA HA . 17988 1 2 . 1 1 1 1 ALA HB1 H 1 1.315 0.017 . 1 . . . A 1 ALA MB . 17988 1 3 . 1 1 1 1 ALA HB2 H 1 1.315 0.017 . 1 . . . A 1 ALA MB . 17988 1 4 . 1 1 1 1 ALA HB3 H 1 1.315 0.017 . 1 . . . A 1 ALA MB . 17988 1 5 . 1 1 2 2 ARG H H 1 7.202 0.010 . 1 . . . A 2 ARG H . 17988 1 6 . 1 1 2 2 ARG HA H 1 4.263 0.043 . 1 . . . A 2 ARG HA . 17988 1 7 . 1 1 2 2 ARG HB2 H 1 1.806 0.022 . 2 . . . A 2 ARG HB2 . 17988 1 8 . 1 1 2 2 ARG HB3 H 1 1.748 0.017 . 2 . . . A 2 ARG HB3 . 17988 1 9 . 1 1 2 2 ARG HG2 H 1 1.613 0.009 . 2 . . . A 2 ARG HG2 . 17988 1 10 . 1 1 2 2 ARG HG3 H 1 0.621 0.002 . 2 . . . A 2 ARG HG3 . 17988 1 11 . 1 1 2 2 ARG HD2 H 1 3.163 0.005 . 2 . . . A 2 ARG HD2 . 17988 1 12 . 1 1 2 2 ARG HD3 H 1 2.926 0.012 . 2 . . . A 2 ARG HD3 . 17988 1 13 . 1 1 3 3 ASP H H 1 8.627 0.018 . 1 . . . A 3 ASP H . 17988 1 14 . 1 1 3 3 ASP HA H 1 3.953 0.016 . 1 . . . A 3 ASP HA . 17988 1 15 . 1 1 3 3 ASP HB2 H 1 2.921 0.131 . 2 . . . A 3 ASP HB2 . 17988 1 16 . 1 1 3 3 ASP HB3 H 1 2.710 0.035 . 2 . . . A 3 ASP HB3 . 17988 1 17 . 1 1 4 4 ALA H H 1 7.579 0.027 . 1 . . . A 4 ALA H . 17988 1 18 . 1 1 4 4 ALA HA H 1 3.281 0.044 . 1 . . . A 4 ALA HA . 17988 1 19 . 1 1 4 4 ALA HB1 H 1 1.091 0.000 . 1 . . . A 4 ALA MB . 17988 1 20 . 1 1 4 4 ALA HB2 H 1 1.091 0.000 . 1 . . . A 4 ALA MB . 17988 1 21 . 1 1 4 4 ALA HB3 H 1 1.091 0.000 . 1 . . . A 4 ALA MB . 17988 1 22 . 1 1 5 5 TYR H H 1 8.192 0.016 . 1 . . . A 5 TYR H . 17988 1 23 . 1 1 5 5 TYR HA H 1 4.463 0.034 . 1 . . . A 5 TYR HA . 17988 1 24 . 1 1 5 5 TYR HB2 H 1 2.967 0.026 . 2 . . . A 5 TYR HB2 . 17988 1 25 . 1 1 5 5 TYR HB3 H 1 2.941 0.013 . 2 . . . A 5 TYR HB3 . 17988 1 26 . 1 1 5 5 TYR HD1 H 1 6.542 0.011 . 3 . . . A 5 TYR HD1 . 17988 1 27 . 1 1 5 5 TYR HD2 H 1 6.664 0.036 . 3 . . . A 5 TYR HD2 . 17988 1 28 . 1 1 5 5 TYR HE1 H 1 7.233 0.006 . 3 . . . A 5 TYR HE1 . 17988 1 29 . 1 1 5 5 TYR HE2 H 1 7.233 0.006 . 3 . . . A 5 TYR HE2 . 17988 1 30 . 1 1 6 6 ILE H H 1 8.258 0.014 . 1 . . . A 6 ILE H . 17988 1 31 . 1 1 6 6 ILE HA H 1 4.421 0.011 . 1 . . . A 6 ILE HA . 17988 1 32 . 1 1 6 6 ILE HB H 1 1.755 0.027 . 1 . . . A 6 ILE HB . 17988 1 33 . 1 1 6 6 ILE HG12 H 1 1.285 0.007 . 2 . . . A 6 ILE HG12 . 17988 1 34 . 1 1 6 6 ILE HG13 H 1 1.264 0.007 . 2 . . . A 6 ILE HG13 . 17988 1 35 . 1 1 6 6 ILE HD11 H 1 0.572 0.039 . 1 . . . A 6 ILE MD . 17988 1 36 . 1 1 6 6 ILE HD12 H 1 0.572 0.039 . 1 . . . A 6 ILE MD . 17988 1 37 . 1 1 6 6 ILE HD13 H 1 0.572 0.039 . 1 . . . A 6 ILE MD . 17988 1 38 . 1 1 7 7 ALA H H 1 8.803 0.003 . 1 . . . A 7 ALA H . 17988 1 39 . 1 1 7 7 ALA HA H 1 4.207 0.020 . 1 . . . A 7 ALA HA . 17988 1 40 . 1 1 7 7 ALA HB1 H 1 1.055 0.045 . 1 . . . A 7 ALA MB . 17988 1 41 . 1 1 7 7 ALA HB2 H 1 1.055 0.045 . 1 . . . A 7 ALA MB . 17988 1 42 . 1 1 7 7 ALA HB3 H 1 1.055 0.045 . 1 . . . A 7 ALA MB . 17988 1 43 . 1 1 8 8 LYS H H 1 7.091 0.019 . 1 . . . A 8 LYS H . 17988 1 44 . 1 1 8 8 LYS HA H 1 4.194 0.023 . 1 . . . A 8 LYS HA . 17988 1 45 . 1 1 8 8 LYS HB2 H 1 2.531 0.026 . 2 . . . A 8 LYS HB2 . 17988 1 46 . 1 1 8 8 LYS HB3 H 1 2.263 0.013 . 2 . . . A 8 LYS HB3 . 17988 1 47 . 1 1 8 8 LYS HG2 H 1 1.441 0.004 . 2 . . . A 8 LYS HG2 . 17988 1 48 . 1 1 8 8 LYS HG3 H 1 1.325 0.002 . 2 . . . A 8 LYS HG3 . 17988 1 49 . 1 1 8 8 LYS HD2 H 1 2.356 0.002 . 2 . . . A 8 LYS HD2 . 17988 1 50 . 1 1 8 8 LYS HD3 H 1 2.356 0.002 . 2 . . . A 8 LYS HD3 . 17988 1 51 . 1 1 8 8 LYS HE2 H 1 3.352 0.032 . 2 . . . A 8 LYS HE2 . 17988 1 52 . 1 1 8 8 LYS HE3 H 1 3.062 0.006 . 2 . . . A 8 LYS HE3 . 17988 1 53 . 1 1 9 9 PRO HA H 1 5.213 0.037 . 1 . . . A 9 PRO HA . 17988 1 54 . 1 1 9 9 PRO HB2 H 1 3.080 0.008 . 2 . . . A 9 PRO HB2 . 17988 1 55 . 1 1 9 9 PRO HB3 H 1 2.947 0.000 . 2 . . . A 9 PRO HB3 . 17988 1 56 . 1 1 9 9 PRO HG2 H 1 2.621 0.031 . 2 . . . A 9 PRO HG2 . 17988 1 57 . 1 1 9 9 PRO HG3 H 1 2.621 0.031 . 2 . . . A 9 PRO HG3 . 17988 1 58 . 1 1 9 9 PRO HD2 H 1 3.821 0.006 . 2 . . . A 9 PRO HD2 . 17988 1 59 . 1 1 9 9 PRO HD3 H 1 3.821 0.006 . 2 . . . A 9 PRO HD3 . 17988 1 60 . 1 1 10 10 HIS H H 1 8.570 0.012 . 1 . . . A 10 HIS H . 17988 1 61 . 1 1 10 10 HIS HA H 1 4.682 0.018 . 1 . . . A 10 HIS HA . 17988 1 62 . 1 1 10 10 HIS HB2 H 1 3.384 0.006 . 2 . . . A 10 HIS HB2 . 17988 1 63 . 1 1 10 10 HIS HB3 H 1 3.005 0.004 . 2 . . . A 10 HIS HB3 . 17988 1 64 . 1 1 10 10 HIS HD1 H 1 7.340 0.032 . 1 . . . A 10 HIS HD1 . 17988 1 65 . 1 1 10 10 HIS HD2 H 1 7.343 0.009 . 1 . . . A 10 HIS HD2 . 17988 1 66 . 1 1 10 10 HIS HE1 H 1 8.602 0.019 . 1 . . . A 10 HIS HE1 . 17988 1 67 . 1 1 11 11 ASN H H 1 8.853 0.021 . 1 . . . A 11 ASN H . 17988 1 68 . 1 1 11 11 ASN HA H 1 4.682 0.018 . 1 . . . A 11 ASN HA . 17988 1 69 . 1 1 11 11 ASN HB2 H 1 3.278 0.036 . 2 . . . A 11 ASN HB2 . 17988 1 70 . 1 1 11 11 ASN HB3 H 1 3.010 0.013 . 2 . . . A 11 ASN HB3 . 17988 1 71 . 1 1 11 11 ASN HD21 H 1 9.473 0.002 . 2 . . . A 11 ASN HD21 . 17988 1 72 . 1 1 11 11 ASN HD22 H 1 9.973 0.009 . 2 . . . A 11 ASN HD22 . 17988 1 73 . 1 1 12 12 CYS H H 1 8.139 0.028 . 1 . . . A 12 CYS H . 17988 1 74 . 1 1 12 12 CYS HA H 1 4.081 0.014 . 1 . . . A 12 CYS HA . 17988 1 75 . 1 1 12 12 CYS HB2 H 1 2.784 0.032 . 2 . . . A 12 CYS HB2 . 17988 1 76 . 1 1 12 12 CYS HB3 H 1 2.693 0.020 . 2 . . . A 12 CYS HB3 . 17988 1 77 . 1 1 13 13 VAL H H 1 8.617 0.062 . 1 . . . A 13 VAL H . 17988 1 78 . 1 1 13 13 VAL HA H 1 3.834 0.003 . 1 . . . A 13 VAL HA . 17988 1 79 . 1 1 13 13 VAL HB H 1 2.524 0.071 . 1 . . . A 13 VAL HB . 17988 1 80 . 1 1 13 13 VAL HG11 H 1 0.780 0.004 . 2 . . . A 13 VAL MG1 . 17988 1 81 . 1 1 13 13 VAL HG12 H 1 0.780 0.004 . 2 . . . A 13 VAL MG1 . 17988 1 82 . 1 1 13 13 VAL HG13 H 1 0.780 0.004 . 2 . . . A 13 VAL MG1 . 17988 1 83 . 1 1 13 13 VAL HG21 H 1 0.610 0.007 . 2 . . . A 13 VAL MG2 . 17988 1 84 . 1 1 13 13 VAL HG22 H 1 0.610 0.007 . 2 . . . A 13 VAL MG2 . 17988 1 85 . 1 1 13 13 VAL HG23 H 1 0.610 0.007 . 2 . . . A 13 VAL MG2 . 17988 1 86 . 1 1 14 14 TYR H H 1 8.317 0.018 . 1 . . . A 14 TYR H . 17988 1 87 . 1 1 14 14 TYR HA H 1 5.246 0.013 . 1 . . . A 14 TYR HA . 17988 1 88 . 1 1 14 14 TYR HB2 H 1 3.553 0.060 . 2 . . . A 14 TYR HB2 . 17988 1 89 . 1 1 14 14 TYR HB3 H 1 3.553 0.060 . 2 . . . A 14 TYR HB3 . 17988 1 90 . 1 1 14 14 TYR HD1 H 1 6.756 0.017 . 3 . . . A 14 TYR HD1 . 17988 1 91 . 1 1 14 14 TYR HD2 H 1 6.756 0.017 . 3 . . . A 14 TYR HD2 . 17988 1 92 . 1 1 14 14 TYR HE1 H 1 6.708 0.023 . 3 . . . A 14 TYR HE1 . 17988 1 93 . 1 1 14 14 TYR HE2 H 1 6.708 0.023 . 3 . . . A 14 TYR HE2 . 17988 1 94 . 1 1 15 15 GLU H H 1 8.549 0.022 . 1 . . . A 15 GLU H . 17988 1 95 . 1 1 15 15 GLU HA H 1 4.369 0.011 . 1 . . . A 15 GLU HA . 17988 1 96 . 1 1 15 15 GLU HB2 H 1 1.983 0.033 . 2 . . . A 15 GLU HB2 . 17988 1 97 . 1 1 15 15 GLU HB3 H 1 1.983 0.033 . 2 . . . A 15 GLU HB3 . 17988 1 98 . 1 1 15 15 GLU HG2 H 1 2.333 0.034 . 2 . . . A 15 GLU HG2 . 17988 1 99 . 1 1 15 15 GLU HG3 H 1 2.333 0.034 . 2 . . . A 15 GLU HG3 . 17988 1 100 . 1 1 16 16 CYS H H 1 8.085 0.046 . 1 . . . A 16 CYS H . 17988 1 101 . 1 1 16 16 CYS HA H 1 4.440 0.052 . 1 . . . A 16 CYS HA . 17988 1 102 . 1 1 16 16 CYS HB2 H 1 2.934 0.037 . 2 . . . A 16 CYS HB2 . 17988 1 103 . 1 1 16 16 CYS HB3 H 1 2.650 0.011 . 2 . . . A 16 CYS HB3 . 17988 1 104 . 1 1 17 17 PHE H H 1 9.325 0.031 . 1 . . . A 17 PHE H . 17988 1 105 . 1 1 17 17 PHE HA H 1 3.845 0.006 . 1 . . . A 17 PHE HA . 17988 1 106 . 1 1 17 17 PHE HB2 H 1 3.206 0.026 . 2 . . . A 17 PHE HB2 . 17988 1 107 . 1 1 17 17 PHE HB3 H 1 3.142 0.013 . 2 . . . A 17 PHE HB3 . 17988 1 108 . 1 1 17 17 PHE HD1 H 1 6.644 0.012 . 3 . . . A 17 PHE HD1 . 17988 1 109 . 1 1 17 17 PHE HD2 H 1 6.888 0.029 . 3 . . . A 17 PHE HD2 . 17988 1 110 . 1 1 17 17 PHE HE1 H 1 7.248 0.008 . 3 . . . A 17 PHE HE1 . 17988 1 111 . 1 1 17 17 PHE HE2 H 1 7.248 0.008 . 3 . . . A 17 PHE HE2 . 17988 1 112 . 1 1 17 17 PHE HZ H 1 7.090 0.021 . 1 . . . A 17 PHE HZ . 17988 1 113 . 1 1 18 18 ASP H H 1 8.364 0.021 . 1 . . . A 18 ASP H . 17988 1 114 . 1 1 18 18 ASP HA H 1 3.840 0.019 . 1 . . . A 18 ASP HA . 17988 1 115 . 1 1 18 18 ASP HB2 H 1 3.059 0.025 . 2 . . . A 18 ASP HB2 . 17988 1 116 . 1 1 18 18 ASP HB3 H 1 3.059 0.025 . 2 . . . A 18 ASP HB3 . 17988 1 117 . 1 1 19 19 ALA H H 1 7.513 0.005 . 1 . . . A 19 ALA H . 17988 1 118 . 1 1 19 19 ALA HA H 1 4.231 0.006 . 1 . . . A 19 ALA HA . 17988 1 119 . 1 1 19 19 ALA HB1 H 1 1.097 0.028 . 1 . . . A 19 ALA MB . 17988 1 120 . 1 1 19 19 ALA HB2 H 1 1.097 0.028 . 1 . . . A 19 ALA MB . 17988 1 121 . 1 1 19 19 ALA HB3 H 1 1.097 0.028 . 1 . . . A 19 ALA MB . 17988 1 122 . 1 1 20 20 PHE H H 1 7.931 0.012 . 1 . . . A 20 PHE H . 17988 1 123 . 1 1 20 20 PHE HA H 1 4.036 0.023 . 1 . . . A 20 PHE HA . 17988 1 124 . 1 1 20 20 PHE HB2 H 1 3.186 0.015 . 2 . . . A 20 PHE HB2 . 17988 1 125 . 1 1 20 20 PHE HB3 H 1 3.186 0.015 . 2 . . . A 20 PHE HB3 . 17988 1 126 . 1 1 20 20 PHE HD1 H 1 6.872 0.004 . 3 . . . A 20 PHE HD1 . 17988 1 127 . 1 1 20 20 PHE HD2 H 1 6.872 0.004 . 3 . . . A 20 PHE HD2 . 17988 1 128 . 1 1 21 21 SER H H 1 8.909 0.024 . 1 . . . A 21 SER H . 17988 1 129 . 1 1 21 21 SER HA H 1 4.040 0.010 . 1 . . . A 21 SER HA . 17988 1 130 . 1 1 21 21 SER HB2 H 1 3.828 0.012 . 2 . . . A 21 SER HB2 . 17988 1 131 . 1 1 21 21 SER HB3 H 1 3.739 0.030 . 2 . . . A 21 SER HB3 . 17988 1 132 . 1 1 22 22 SER H H 1 7.847 0.014 . 1 . . . A 22 SER H . 17988 1 133 . 1 1 22 22 SER HA H 1 4.276 0.046 . 1 . . . A 22 SER HA . 17988 1 134 . 1 1 22 22 SER HB2 H 1 3.975 0.049 . 2 . . . A 22 SER HB2 . 17988 1 135 . 1 1 22 22 SER HB3 H 1 3.740 0.058 . 2 . . . A 22 SER HB3 . 17988 1 136 . 1 1 23 23 TYR H H 1 8.486 0.012 . 1 . . . A 23 TYR H . 17988 1 137 . 1 1 23 23 TYR HA H 1 4.637 0.052 . 1 . . . A 23 TYR HA . 17988 1 138 . 1 1 23 23 TYR HB2 H 1 3.146 0.015 . 2 . . . A 23 TYR HB2 . 17988 1 139 . 1 1 23 23 TYR HB3 H 1 2.881 0.003 . 2 . . . A 23 TYR HB3 . 17988 1 140 . 1 1 23 23 TYR HD1 H 1 6.773 0.006 . 3 . . . A 23 TYR HD1 . 17988 1 141 . 1 1 23 23 TYR HD2 H 1 7.015 0.056 . 3 . . . A 23 TYR HD2 . 17988 1 142 . 1 1 23 23 TYR HE1 H 1 7.158 0.025 . 3 . . . A 23 TYR HE1 . 17988 1 143 . 1 1 23 23 TYR HE2 H 1 7.158 0.025 . 3 . . . A 23 TYR HE2 . 17988 1 144 . 1 1 24 24 CYS H H 1 9.170 0.005 . 1 . . . A 24 CYS H . 17988 1 145 . 1 1 24 24 CYS HA H 1 4.116 0.065 . 1 . . . A 24 CYS HA . 17988 1 146 . 1 1 24 24 CYS HB2 H 1 2.885 0.012 . 2 . . . A 24 CYS HB2 . 17988 1 147 . 1 1 24 24 CYS HB3 H 1 2.584 0.010 . 2 . . . A 24 CYS HB3 . 17988 1 148 . 1 1 25 25 ASN H H 1 8.592 0.015 . 1 . . . A 25 ASN H . 17988 1 149 . 1 1 25 25 ASN HA H 1 4.165 0.070 . 1 . . . A 25 ASN HA . 17988 1 150 . 1 1 25 25 ASN HB2 H 1 3.402 0.042 . 2 . . . A 25 ASN HB2 . 17988 1 151 . 1 1 25 25 ASN HB3 H 1 3.009 0.004 . 2 . . . A 25 ASN HB3 . 17988 1 152 . 1 1 25 25 ASN HD21 H 1 7.374 0.022 . 2 . . . A 25 ASN HD21 . 17988 1 153 . 1 1 25 25 ASN HD22 H 1 9.966 0.000 . 2 . . . A 25 ASN HD22 . 17988 1 154 . 1 1 26 26 GLY H H 1 8.351 0.017 . 1 . . . A 26 GLY H . 17988 1 155 . 1 1 26 26 GLY HA2 H 1 4.116 0.000 . 2 . . . A 26 GLY HA2 . 17988 1 156 . 1 1 26 26 GLY HA3 H 1 3.951 0.013 . 2 . . . A 26 GLY HA3 . 17988 1 157 . 1 1 27 27 VAL H H 1 7.498 0.039 . 1 . . . A 27 VAL H . 17988 1 158 . 1 1 27 27 VAL HA H 1 3.235 0.028 . 1 . . . A 27 VAL HA . 17988 1 159 . 1 1 27 27 VAL HB H 1 1.507 0.033 . 1 . . . A 27 VAL HB . 17988 1 160 . 1 1 27 27 VAL HG11 H 1 -0.084 0.080 . 2 . . . A 27 VAL MG1 . 17988 1 161 . 1 1 27 27 VAL HG12 H 1 -0.084 0.080 . 2 . . . A 27 VAL MG1 . 17988 1 162 . 1 1 27 27 VAL HG13 H 1 -0.084 0.080 . 2 . . . A 27 VAL MG1 . 17988 1 163 . 1 1 27 27 VAL HG21 H 1 0.274 0.080 . 2 . . . A 27 VAL MG2 . 17988 1 164 . 1 1 27 27 VAL HG22 H 1 0.274 0.080 . 2 . . . A 27 VAL MG2 . 17988 1 165 . 1 1 27 27 VAL HG23 H 1 0.274 0.080 . 2 . . . A 27 VAL MG2 . 17988 1 166 . 1 1 28 28 CYS H H 1 8.619 0.008 . 1 . . . A 28 CYS H . 17988 1 167 . 1 1 28 28 CYS HA H 1 3.990 0.022 . 1 . . . A 28 CYS HA . 17988 1 168 . 1 1 28 28 CYS HB2 H 1 2.886 0.012 . 2 . . . A 28 CYS HB2 . 17988 1 169 . 1 1 28 28 CYS HB3 H 1 2.702 0.015 . 2 . . . A 28 CYS HB3 . 17988 1 170 . 1 1 29 29 THR H H 1 8.535 0.018 . 1 . . . A 29 THR H . 17988 1 171 . 1 1 29 29 THR HA H 1 3.766 0.010 . 1 . . . A 29 THR HA . 17988 1 172 . 1 1 29 29 THR HB H 1 4.523 0.012 . 1 . . . A 29 THR HB . 17988 1 173 . 1 1 29 29 THR HG21 H 1 1.330 0.010 . 1 . . . A 29 THR MG . 17988 1 174 . 1 1 29 29 THR HG22 H 1 1.330 0.010 . 1 . . . A 29 THR MG . 17988 1 175 . 1 1 29 29 THR HG23 H 1 1.330 0.010 . 1 . . . A 29 THR MG . 17988 1 176 . 1 1 30 30 LYS H H 1 8.797 0.000 . 1 . . . A 30 LYS H . 17988 1 177 . 1 1 30 30 LYS HA H 1 4.017 0.007 . 1 . . . A 30 LYS HA . 17988 1 178 . 1 1 30 30 LYS HB2 H 1 1.738 0.023 . 2 . . . A 30 LYS HB2 . 17988 1 179 . 1 1 30 30 LYS HB3 H 1 1.738 0.023 . 2 . . . A 30 LYS HB3 . 17988 1 180 . 1 1 30 30 LYS HG2 H 1 1.370 0.035 . 2 . . . A 30 LYS HG2 . 17988 1 181 . 1 1 30 30 LYS HG3 H 1 1.370 0.035 . 2 . . . A 30 LYS HG3 . 17988 1 182 . 1 1 30 30 LYS HD2 H 1 1.645 0.008 . 2 . . . A 30 LYS HD2 . 17988 1 183 . 1 1 30 30 LYS HD3 H 1 1.645 0.008 . 2 . . . A 30 LYS HD3 . 17988 1 184 . 1 1 30 30 LYS HE2 H 1 3.161 0.007 . 2 . . . A 30 LYS HE2 . 17988 1 185 . 1 1 30 30 LYS HE3 H 1 3.161 0.007 . 2 . . . A 30 LYS HE3 . 17988 1 186 . 1 1 31 31 ASN H H 1 8.816 0.045 . 1 . . . A 31 ASN H . 17988 1 187 . 1 1 31 31 ASN HB2 H 1 3.227 0.045 . 2 . . . A 31 ASN HB2 . 17988 1 188 . 1 1 31 31 ASN HB3 H 1 2.991 0.010 . 2 . . . A 31 ASN HB3 . 17988 1 189 . 1 1 31 31 ASN HD21 H 1 6.888 0.013 . 2 . . . A 31 ASN HD21 . 17988 1 190 . 1 1 31 31 ASN HD22 H 1 6.888 0.013 . 2 . . . A 31 ASN HD22 . 17988 1 191 . 1 1 32 32 GLY H H 1 8.646 0.008 . 1 . . . A 32 GLY H . 17988 1 192 . 1 1 32 32 GLY HA2 H 1 4.065 0.010 . 2 . . . A 32 GLY HA2 . 17988 1 193 . 1 1 32 32 GLY HA3 H 1 3.817 0.020 . 2 . . . A 32 GLY HA3 . 17988 1 194 . 1 1 33 33 ALA H H 1 9.410 0.044 . 1 . . . A 33 ALA H . 17988 1 195 . 1 1 33 33 ALA HA H 1 3.441 0.046 . 1 . . . A 33 ALA HA . 17988 1 196 . 1 1 33 33 ALA HB1 H 1 1.274 0.009 . 1 . . . A 33 ALA MB . 17988 1 197 . 1 1 33 33 ALA HB2 H 1 1.274 0.009 . 1 . . . A 33 ALA MB . 17988 1 198 . 1 1 33 33 ALA HB3 H 1 1.274 0.009 . 1 . . . A 33 ALA MB . 17988 1 199 . 1 1 34 34 LYS H H 1 8.804 0.017 . 1 . . . A 34 LYS H . 17988 1 200 . 1 1 34 34 LYS HA H 1 4.660 0.026 . 1 . . . A 34 LYS HA . 17988 1 201 . 1 1 34 34 LYS HB2 H 1 1.893 0.025 . 2 . . . A 34 LYS HB2 . 17988 1 202 . 1 1 34 34 LYS HB3 H 1 1.893 0.025 . 2 . . . A 34 LYS HB3 . 17988 1 203 . 1 1 34 34 LYS HG2 H 1 1.403 0.047 . 2 . . . A 34 LYS HG2 . 17988 1 204 . 1 1 34 34 LYS HG3 H 1 1.403 0.047 . 2 . . . A 34 LYS HG3 . 17988 1 205 . 1 1 34 34 LYS HD2 H 1 1.677 0.031 . 2 . . . A 34 LYS HD2 . 17988 1 206 . 1 1 34 34 LYS HD3 H 1 1.677 0.031 . 2 . . . A 34 LYS HD3 . 17988 1 207 . 1 1 34 34 LYS HE2 H 1 3.081 0.002 . 2 . . . A 34 LYS HE2 . 17988 1 208 . 1 1 34 34 LYS HE3 H 1 3.081 0.002 . 2 . . . A 34 LYS HE3 . 17988 1 209 . 1 1 34 34 LYS HZ1 H 1 5.209 0.030 . 1 . . . A 34 LYS QZ . 17988 1 210 . 1 1 34 34 LYS HZ2 H 1 5.209 0.030 . 1 . . . A 34 LYS QZ . 17988 1 211 . 1 1 34 34 LYS HZ3 H 1 5.209 0.030 . 1 . . . A 34 LYS QZ . 17988 1 212 . 1 1 35 35 SER H H 1 7.113 0.021 . 1 . . . A 35 SER H . 17988 1 213 . 1 1 35 35 SER HA H 1 4.223 0.020 . 1 . . . A 35 SER HA . 17988 1 214 . 1 1 35 35 SER HB2 H 1 3.996 0.012 . 2 . . . A 35 SER HB2 . 17988 1 215 . 1 1 35 35 SER HB3 H 1 3.996 0.012 . 2 . . . A 35 SER HB3 . 17988 1 216 . 1 1 36 36 GLY H H 1 8.136 0.013 . 1 . . . A 36 GLY H . 17988 1 217 . 1 1 36 36 GLY HA2 H 1 3.945 0.031 . 2 . . . A 36 GLY HA2 . 17988 1 218 . 1 1 36 36 GLY HA3 H 1 3.632 0.012 . 2 . . . A 36 GLY HA3 . 17988 1 219 . 1 1 37 37 TYR H H 1 7.340 0.006 . 1 . . . A 37 TYR H . 17988 1 220 . 1 1 37 37 TYR HA H 1 5.083 0.033 . 1 . . . A 37 TYR HA . 17988 1 221 . 1 1 37 37 TYR HB2 H 1 3.172 0.027 . 2 . . . A 37 TYR HB2 . 17988 1 222 . 1 1 37 37 TYR HB3 H 1 3.172 0.027 . 2 . . . A 37 TYR HB3 . 17988 1 223 . 1 1 37 37 TYR HD1 H 1 6.537 0.004 . 3 . . . A 37 TYR HD1 . 17988 1 224 . 1 1 37 37 TYR HD2 H 1 6.663 0.009 . 3 . . . A 37 TYR HD2 . 17988 1 225 . 1 1 37 37 TYR HE1 H 1 6.811 0.063 . 3 . . . A 37 TYR HE1 . 17988 1 226 . 1 1 37 37 TYR HE2 H 1 6.811 0.063 . 3 . . . A 37 TYR HE2 . 17988 1 227 . 1 1 38 38 CYS H H 1 8.464 0.011 . 1 . . . A 38 CYS H . 17988 1 228 . 1 1 38 38 CYS HA H 1 4.647 0.028 . 1 . . . A 38 CYS HA . 17988 1 229 . 1 1 38 38 CYS HB2 H 1 2.742 0.027 . 2 . . . A 38 CYS HB2 . 17988 1 230 . 1 1 38 38 CYS HB3 H 1 2.742 0.027 . 2 . . . A 38 CYS HB3 . 17988 1 231 . 1 1 39 39 GLN H H 1 8.444 0.007 . 1 . . . A 39 GLN H . 17988 1 232 . 1 1 39 39 GLN HA H 1 4.375 0.011 . 1 . . . A 39 GLN HA . 17988 1 233 . 1 1 39 39 GLN HB2 H 1 1.923 0.043 . 2 . . . A 39 GLN HB2 . 17988 1 234 . 1 1 39 39 GLN HB3 H 1 1.923 0.043 . 2 . . . A 39 GLN HB3 . 17988 1 235 . 1 1 39 39 GLN HG2 H 1 2.337 0.019 . 2 . . . A 39 GLN HG2 . 17988 1 236 . 1 1 39 39 GLN HG3 H 1 2.208 0.014 . 2 . . . A 39 GLN HG3 . 17988 1 237 . 1 1 39 39 GLN HE21 H 1 7.253 0.016 . 2 . . . A 39 GLN HE21 . 17988 1 238 . 1 1 39 39 GLN HE22 H 1 7.253 0.016 . 2 . . . A 39 GLN HE22 . 17988 1 239 . 1 1 40 40 ILE H H 1 8.254 0.005 . 1 . . . A 40 ILE H . 17988 1 240 . 1 1 40 40 ILE HA H 1 4.354 0.010 . 1 . . . A 40 ILE HA . 17988 1 241 . 1 1 40 40 ILE HB H 1 1.971 0.018 . 1 . . . A 40 ILE HB . 17988 1 242 . 1 1 40 40 ILE HG12 H 1 0.891 0.011 . 2 . . . A 40 ILE HG12 . 17988 1 243 . 1 1 40 40 ILE HG13 H 1 0.891 0.011 . 2 . . . A 40 ILE HG13 . 17988 1 244 . 1 1 40 40 ILE HG21 H 1 1.054 0.040 . 1 . . . A 40 ILE MG . 17988 1 245 . 1 1 40 40 ILE HG22 H 1 1.054 0.040 . 1 . . . A 40 ILE MG . 17988 1 246 . 1 1 40 40 ILE HG23 H 1 1.054 0.040 . 1 . . . A 40 ILE MG . 17988 1 247 . 1 1 40 40 ILE HD11 H 1 0.846 0.009 . 1 . . . A 40 ILE MD . 17988 1 248 . 1 1 40 40 ILE HD12 H 1 0.846 0.009 . 1 . . . A 40 ILE MD . 17988 1 249 . 1 1 40 40 ILE HD13 H 1 0.846 0.009 . 1 . . . A 40 ILE MD . 17988 1 250 . 1 1 41 41 LEU H H 1 8.214 0.006 . 1 . . . A 41 LEU H . 17988 1 251 . 1 1 41 41 LEU HA H 1 4.116 0.017 . 1 . . . A 41 LEU HA . 17988 1 252 . 1 1 41 41 LEU HB2 H 1 1.868 0.045 . 2 . . . A 41 LEU HB2 . 17988 1 253 . 1 1 41 41 LEU HB3 H 1 1.868 0.045 . 2 . . . A 41 LEU HB3 . 17988 1 254 . 1 1 41 41 LEU HG H 1 1.812 0.045 . 1 . . . A 41 LEU HG . 17988 1 255 . 1 1 41 41 LEU HD11 H 1 0.860 0.016 . 2 . . . A 41 LEU MD1 . 17988 1 256 . 1 1 41 41 LEU HD12 H 1 0.860 0.016 . 2 . . . A 41 LEU MD1 . 17988 1 257 . 1 1 41 41 LEU HD13 H 1 0.860 0.016 . 2 . . . A 41 LEU MD1 . 17988 1 258 . 1 1 41 41 LEU HD21 H 1 0.860 0.016 . 2 . . . A 41 LEU MD2 . 17988 1 259 . 1 1 41 41 LEU HD22 H 1 0.860 0.016 . 2 . . . A 41 LEU MD2 . 17988 1 260 . 1 1 41 41 LEU HD23 H 1 0.860 0.016 . 2 . . . A 41 LEU MD2 . 17988 1 261 . 1 1 42 42 GLY H H 1 7.865 0.008 . 1 . . . A 42 GLY H . 17988 1 262 . 1 1 42 42 GLY HA2 H 1 4.066 0.015 . 2 . . . A 42 GLY HA2 . 17988 1 263 . 1 1 42 42 GLY HA3 H 1 3.870 0.054 . 2 . . . A 42 GLY HA3 . 17988 1 264 . 1 1 43 43 THR H H 1 7.410 0.009 . 1 . . . A 43 THR H . 17988 1 265 . 1 1 43 43 THR HA H 1 3.640 0.009 . 1 . . . A 43 THR HA . 17988 1 266 . 1 1 43 43 THR HB H 1 3.489 0.027 . 1 . . . A 43 THR HB . 17988 1 267 . 1 1 43 43 THR HG21 H 1 0.642 0.047 . 1 . . . A 43 THR MG . 17988 1 268 . 1 1 43 43 THR HG22 H 1 0.642 0.047 . 1 . . . A 43 THR MG . 17988 1 269 . 1 1 43 43 THR HG23 H 1 0.642 0.047 . 1 . . . A 43 THR MG . 17988 1 270 . 1 1 44 44 TYR H H 1 7.758 0.007 . 1 . . . A 44 TYR H . 17988 1 271 . 1 1 44 44 TYR HA H 1 3.984 0.000 . 1 . . . A 44 TYR HA . 17988 1 272 . 1 1 44 44 TYR HB2 H 1 3.020 0.056 . 2 . . . A 44 TYR HB2 . 17988 1 273 . 1 1 44 44 TYR HB3 H 1 3.020 0.056 . 2 . . . A 44 TYR HB3 . 17988 1 274 . 1 1 44 44 TYR HD1 H 1 7.603 0.027 . 3 . . . A 44 TYR HD1 . 17988 1 275 . 1 1 44 44 TYR HD2 H 1 7.603 0.027 . 3 . . . A 44 TYR HD2 . 17988 1 276 . 1 1 44 44 TYR HE1 H 1 7.089 0.018 . 3 . . . A 44 TYR HE1 . 17988 1 277 . 1 1 44 44 TYR HE2 H 1 7.089 0.018 . 3 . . . A 44 TYR HE2 . 17988 1 278 . 1 1 45 45 GLY H H 1 7.520 0.020 . 1 . . . A 45 GLY H . 17988 1 279 . 1 1 45 45 GLY HA2 H 1 4.279 0.014 . 2 . . . A 45 GLY HA2 . 17988 1 280 . 1 1 45 45 GLY HA3 H 1 3.656 0.017 . 2 . . . A 45 GLY HA3 . 17988 1 281 . 1 1 46 46 ASN H H 1 8.103 0.016 . 1 . . . A 46 ASN H . 17988 1 282 . 1 1 46 46 ASN HA H 1 4.441 0.027 . 1 . . . A 46 ASN HA . 17988 1 283 . 1 1 46 46 ASN HB2 H 1 2.946 0.035 . 2 . . . A 46 ASN HB2 . 17988 1 284 . 1 1 46 46 ASN HB3 H 1 2.640 0.005 . 2 . . . A 46 ASN HB3 . 17988 1 285 . 1 1 46 46 ASN HD21 H 1 9.452 0.025 . 2 . . . A 46 ASN HD21 . 17988 1 286 . 1 1 46 46 ASN HD22 H 1 9.986 0.001 . 2 . . . A 46 ASN HD22 . 17988 1 287 . 1 1 47 47 GLY H H 1 8.565 0.026 . 1 . . . A 47 GLY H . 17988 1 288 . 1 1 47 47 GLY HA2 H 1 4.101 0.059 . 2 . . . A 47 GLY HA2 . 17988 1 289 . 1 1 47 47 GLY HA3 H 1 3.723 0.027 . 2 . . . A 47 GLY HA3 . 17988 1 290 . 1 1 48 48 CYS H H 1 8.207 0.025 . 1 . . . A 48 CYS H . 17988 1 291 . 1 1 48 48 CYS HA H 1 4.067 0.017 . 1 . . . A 48 CYS HA . 17988 1 292 . 1 1 48 48 CYS HB2 H 1 3.205 0.020 . 2 . . . A 48 CYS HB2 . 17988 1 293 . 1 1 48 48 CYS HB3 H 1 3.205 0.020 . 2 . . . A 48 CYS HB3 . 17988 1 294 . 1 1 49 49 TRP H H 1 8.354 0.039 . 1 . . . A 49 TRP H . 17988 1 295 . 1 1 49 49 TRP HA H 1 4.313 0.033 . 1 . . . A 49 TRP HA . 17988 1 296 . 1 1 49 49 TRP HB2 H 1 3.030 0.047 . 2 . . . A 49 TRP HB2 . 17988 1 297 . 1 1 49 49 TRP HB3 H 1 2.939 0.015 . 2 . . . A 49 TRP HB3 . 17988 1 298 . 1 1 49 49 TRP HD1 H 1 7.058 0.023 . 1 . . . A 49 TRP HD1 . 17988 1 299 . 1 1 49 49 TRP HE1 H 1 7.608 0.030 . 1 . . . A 49 TRP HE1 . 17988 1 300 . 1 1 49 49 TRP HE3 H 1 8.523 0.013 . 1 . . . A 49 TRP HE3 . 17988 1 301 . 1 1 49 49 TRP HZ2 H 1 5.577 0.018 . 1 . . . A 49 TRP HZ2 . 17988 1 302 . 1 1 49 49 TRP HZ3 H 1 6.874 0.004 . 1 . . . A 49 TRP HZ3 . 17988 1 303 . 1 1 49 49 TRP HH2 H 1 8.797 0.003 . 1 . . . A 49 TRP HH2 . 17988 1 304 . 1 1 50 50 CYS H H 1 8.440 0.004 . 1 . . . A 50 CYS H . 17988 1 305 . 1 1 50 50 CYS HA H 1 4.498 0.031 . 1 . . . A 50 CYS HA . 17988 1 306 . 1 1 50 50 CYS HB2 H 1 2.622 0.035 . 2 . . . A 50 CYS HB2 . 17988 1 307 . 1 1 50 50 CYS HB3 H 1 2.622 0.035 . 2 . . . A 50 CYS HB3 . 17988 1 308 . 1 1 51 51 ILE H H 1 8.131 0.030 . 1 . . . A 51 ILE H . 17988 1 309 . 1 1 51 51 ILE HA H 1 4.044 0.015 . 1 . . . A 51 ILE HA . 17988 1 310 . 1 1 51 51 ILE HB H 1 1.905 0.010 . 1 . . . A 51 ILE HB . 17988 1 311 . 1 1 51 51 ILE HG12 H 1 1.326 0.029 . 2 . . . A 51 ILE HG12 . 17988 1 312 . 1 1 51 51 ILE HG13 H 1 1.326 0.029 . 2 . . . A 51 ILE HG13 . 17988 1 313 . 1 1 51 51 ILE HG21 H 1 1.326 0.029 . 1 . . . A 51 ILE MG . 17988 1 314 . 1 1 51 51 ILE HG22 H 1 1.326 0.029 . 1 . . . A 51 ILE MG . 17988 1 315 . 1 1 51 51 ILE HG23 H 1 1.326 0.029 . 1 . . . A 51 ILE MG . 17988 1 316 . 1 1 51 51 ILE HD11 H 1 0.621 0.013 . 1 . . . A 51 ILE MD . 17988 1 317 . 1 1 51 51 ILE HD12 H 1 0.621 0.013 . 1 . . . A 51 ILE MD . 17988 1 318 . 1 1 51 51 ILE HD13 H 1 0.621 0.013 . 1 . . . A 51 ILE MD . 17988 1 319 . 1 1 52 52 ALA H H 1 7.854 0.005 . 1 . . . A 52 ALA H . 17988 1 320 . 1 1 52 52 ALA HA H 1 5.350 0.027 . 1 . . . A 52 ALA HA . 17988 1 321 . 1 1 52 52 ALA HB1 H 1 0.852 0.009 . 1 . . . A 52 ALA MB . 17988 1 322 . 1 1 52 52 ALA HB2 H 1 0.852 0.009 . 1 . . . A 52 ALA MB . 17988 1 323 . 1 1 52 52 ALA HB3 H 1 0.852 0.009 . 1 . . . A 52 ALA MB . 17988 1 324 . 1 1 53 53 LEU H H 1 8.998 0.009 . 1 . . . A 53 LEU H . 17988 1 325 . 1 1 53 53 LEU HA H 1 4.611 0.042 . 1 . . . A 53 LEU HA . 17988 1 326 . 1 1 53 53 LEU HB2 H 1 2.522 0.016 . 2 . . . A 53 LEU HB2 . 17988 1 327 . 1 1 53 53 LEU HB3 H 1 2.415 0.016 . 2 . . . A 53 LEU HB3 . 17988 1 328 . 1 1 53 53 LEU HG H 1 1.207 0.007 . 1 . . . A 53 LEU HG . 17988 1 329 . 1 1 53 53 LEU HD11 H 1 0.838 0.090 . 2 . . . A 53 LEU MD1 . 17988 1 330 . 1 1 53 53 LEU HD12 H 1 0.838 0.090 . 2 . . . A 53 LEU MD1 . 17988 1 331 . 1 1 53 53 LEU HD13 H 1 0.838 0.090 . 2 . . . A 53 LEU MD1 . 17988 1 332 . 1 1 53 53 LEU HD21 H 1 0.838 0.090 . 2 . . . A 53 LEU MD2 . 17988 1 333 . 1 1 53 53 LEU HD22 H 1 0.838 0.090 . 2 . . . A 53 LEU MD2 . 17988 1 334 . 1 1 53 53 LEU HD23 H 1 0.838 0.090 . 2 . . . A 53 LEU MD2 . 17988 1 335 . 1 1 54 54 PRO HA H 1 4.239 0.011 . 1 . . . A 54 PRO HA . 17988 1 336 . 1 1 54 54 PRO HB2 H 1 2.221 0.016 . 2 . . . A 54 PRO HB2 . 17988 1 337 . 1 1 54 54 PRO HB3 H 1 2.221 0.016 . 2 . . . A 54 PRO HB3 . 17988 1 338 . 1 1 54 54 PRO HG2 H 1 1.981 0.004 . 2 . . . A 54 PRO HG2 . 17988 1 339 . 1 1 54 54 PRO HG3 H 1 1.857 0.025 . 2 . . . A 54 PRO HG3 . 17988 1 340 . 1 1 54 54 PRO HD2 H 1 3.758 0.024 . 2 . . . A 54 PRO HD2 . 17988 1 341 . 1 1 54 54 PRO HD3 H 1 3.630 0.050 . 2 . . . A 54 PRO HD3 . 17988 1 342 . 1 1 55 55 ASP H H 1 7.719 0.013 . 1 . . . A 55 ASP H . 17988 1 343 . 1 1 55 55 ASP HA H 1 4.388 0.021 . 1 . . . A 55 ASP HA . 17988 1 344 . 1 1 55 55 ASP HB2 H 1 2.846 0.062 . 2 . . . A 55 ASP HB2 . 17988 1 345 . 1 1 55 55 ASP HB3 H 1 2.727 0.005 . 2 . . . A 55 ASP HB3 . 17988 1 346 . 1 1 56 56 ASN H H 1 8.860 0.008 . 1 . . . A 56 ASN H . 17988 1 347 . 1 1 56 56 ASN HA H 1 3.859 0.016 . 1 . . . A 56 ASN HA . 17988 1 348 . 1 1 56 56 ASN HB2 H 1 2.774 0.017 . 2 . . . A 56 ASN HB2 . 17988 1 349 . 1 1 56 56 ASN HB3 H 1 2.774 0.017 . 2 . . . A 56 ASN HB3 . 17988 1 350 . 1 1 56 56 ASN HD21 H 1 7.239 0.008 . 2 . . . A 56 ASN HD21 . 17988 1 351 . 1 1 56 56 ASN HD22 H 1 9.967 0.000 . 2 . . . A 56 ASN HD22 . 17988 1 352 . 1 1 57 57 VAL H H 1 6.772 0.003 . 1 . . . A 57 VAL H . 17988 1 353 . 1 1 57 57 VAL HA H 1 3.222 0.004 . 1 . . . A 57 VAL HA . 17988 1 354 . 1 1 57 57 VAL HB H 1 1.494 0.004 . 1 . . . A 57 VAL HB . 17988 1 355 . 1 1 57 57 VAL HG11 H 1 -0.101 0.003 . 2 . . . A 57 VAL MG1 . 17988 1 356 . 1 1 57 57 VAL HG12 H 1 -0.101 0.003 . 2 . . . A 57 VAL MG1 . 17988 1 357 . 1 1 57 57 VAL HG13 H 1 -0.101 0.003 . 2 . . . A 57 VAL MG1 . 17988 1 358 . 1 1 57 57 VAL HG21 H 1 0.292 0.003 . 2 . . . A 57 VAL MG2 . 17988 1 359 . 1 1 57 57 VAL HG22 H 1 0.292 0.003 . 2 . . . A 57 VAL MG2 . 17988 1 360 . 1 1 57 57 VAL HG23 H 1 0.292 0.003 . 2 . . . A 57 VAL MG2 . 17988 1 361 . 1 1 58 58 PRO HA H 1 4.243 0.015 . 1 . . . A 58 PRO HA . 17988 1 362 . 1 1 58 58 PRO HB2 H 1 2.175 0.039 . 2 . . . A 58 PRO HB2 . 17988 1 363 . 1 1 58 58 PRO HB3 H 1 2.175 0.039 . 2 . . . A 58 PRO HB3 . 17988 1 364 . 1 1 58 58 PRO HG2 H 1 1.912 0.004 . 2 . . . A 58 PRO HG2 . 17988 1 365 . 1 1 58 58 PRO HG3 H 1 1.912 0.004 . 2 . . . A 58 PRO HG3 . 17988 1 366 . 1 1 58 58 PRO HD2 H 1 3.720 0.026 . 2 . . . A 58 PRO HD2 . 17988 1 367 . 1 1 58 58 PRO HD3 H 1 3.720 0.026 . 2 . . . A 58 PRO HD3 . 17988 1 368 . 1 1 59 59 ILE H H 1 7.850 0.009 . 1 . . . A 59 ILE H . 17988 1 369 . 1 1 59 59 ILE HA H 1 4.128 0.019 . 1 . . . A 59 ILE HA . 17988 1 370 . 1 1 59 59 ILE HB H 1 1.691 0.010 . 1 . . . A 59 ILE HB . 17988 1 371 . 1 1 59 59 ILE HG12 H 1 0.971 0.064 . 2 . . . A 59 ILE HG12 . 17988 1 372 . 1 1 59 59 ILE HG13 H 1 1.123 0.025 . 2 . . . A 59 ILE HG13 . 17988 1 373 . 1 1 59 59 ILE HG21 H 1 1.204 0.000 . 1 . . . A 59 ILE MG . 17988 1 374 . 1 1 59 59 ILE HG22 H 1 1.204 0.000 . 1 . . . A 59 ILE MG . 17988 1 375 . 1 1 59 59 ILE HG23 H 1 1.204 0.000 . 1 . . . A 59 ILE MG . 17988 1 376 . 1 1 59 59 ILE HD11 H 1 0.774 0.003 . 1 . . . A 59 ILE MD . 17988 1 377 . 1 1 59 59 ILE HD12 H 1 0.774 0.003 . 1 . . . A 59 ILE MD . 17988 1 378 . 1 1 59 59 ILE HD13 H 1 0.774 0.003 . 1 . . . A 59 ILE MD . 17988 1 379 . 1 1 60 60 ARG H H 1 7.544 0.037 . 1 . . . A 60 ARG H . 17988 1 380 . 1 1 60 60 ARG HA H 1 4.045 0.008 . 1 . . . A 60 ARG HA . 17988 1 381 . 1 1 60 60 ARG HB2 H 1 1.627 0.013 . 2 . . . A 60 ARG HB2 . 17988 1 382 . 1 1 60 60 ARG HB3 H 1 1.627 0.013 . 2 . . . A 60 ARG HB3 . 17988 1 383 . 1 1 60 60 ARG HG2 H 1 1.483 0.044 . 2 . . . A 60 ARG HG2 . 17988 1 384 . 1 1 60 60 ARG HG3 H 1 1.483 0.044 . 2 . . . A 60 ARG HG3 . 17988 1 385 . 1 1 60 60 ARG HD2 H 1 2.938 0.027 . 2 . . . A 60 ARG HD2 . 17988 1 386 . 1 1 60 60 ARG HD3 H 1 2.938 0.027 . 2 . . . A 60 ARG HD3 . 17988 1 387 . 1 1 61 61 ILE H H 1 7.725 0.046 . 1 . . . A 61 ILE H . 17988 1 388 . 1 1 61 61 ILE HA H 1 4.373 0.017 . 1 . . . A 61 ILE HA . 17988 1 389 . 1 1 61 61 ILE HB H 1 1.858 0.017 . 1 . . . A 61 ILE HB . 17988 1 390 . 1 1 61 61 ILE HG12 H 1 1.414 0.031 . 2 . . . A 61 ILE HG12 . 17988 1 391 . 1 1 61 61 ILE HG13 H 1 1.174 0.084 . 2 . . . A 61 ILE HG13 . 17988 1 392 . 1 1 62 62 PRO HA H 1 4.279 0.007 . 1 . . . A 62 PRO HA . 17988 1 393 . 1 1 62 62 PRO HB2 H 1 2.407 0.021 . 2 . . . A 62 PRO HB2 . 17988 1 394 . 1 1 62 62 PRO HB3 H 1 2.407 0.021 . 2 . . . A 62 PRO HB3 . 17988 1 395 . 1 1 62 62 PRO HG2 H 1 1.959 0.036 . 2 . . . A 62 PRO HG2 . 17988 1 396 . 1 1 62 62 PRO HG3 H 1 1.959 0.036 . 2 . . . A 62 PRO HG3 . 17988 1 397 . 1 1 63 63 GLY H H 1 8.437 0.001 . 1 . . . A 63 GLY H . 17988 1 398 . 1 1 63 63 GLY HA2 H 1 4.242 0.005 . 2 . . . A 63 GLY HA2 . 17988 1 399 . 1 1 63 63 GLY HA3 H 1 4.115 0.035 . 2 . . . A 63 GLY HA3 . 17988 1 400 . 1 1 64 64 LYS H H 1 8.213 0.009 . 1 . . . A 64 LYS H . 17988 1 401 . 1 1 64 64 LYS HA H 1 4.119 0.001 . 1 . . . A 64 LYS HA . 17988 1 402 . 1 1 64 64 LYS HB2 H 1 1.973 0.004 . 2 . . . A 64 LYS HB2 . 17988 1 403 . 1 1 64 64 LYS HB3 H 1 1.784 0.008 . 2 . . . A 64 LYS HB3 . 17988 1 404 . 1 1 64 64 LYS HG2 H 1 1.436 0.030 . 2 . . . A 64 LYS HG2 . 17988 1 405 . 1 1 64 64 LYS HG3 H 1 1.436 0.030 . 2 . . . A 64 LYS HG3 . 17988 1 406 . 1 1 64 64 LYS HD2 H 1 1.583 0.018 . 2 . . . A 64 LYS HD2 . 17988 1 407 . 1 1 64 64 LYS HD3 H 1 1.583 0.018 . 2 . . . A 64 LYS HD3 . 17988 1 408 . 1 1 64 64 LYS HE2 H 1 2.915 0.025 . 2 . . . A 64 LYS HE2 . 17988 1 409 . 1 1 64 64 LYS HE3 H 1 2.915 0.025 . 2 . . . A 64 LYS HE3 . 17988 1 410 . 1 1 65 65 CYS H H 1 6.968 0.011 . 1 . . . A 65 CYS H . 17988 1 411 . 1 1 65 65 CYS HA H 1 4.588 0.029 . 1 . . . A 65 CYS HA . 17988 1 412 . 1 1 65 65 CYS HB2 H 1 2.928 0.015 . 2 . . . A 65 CYS HB2 . 17988 1 413 . 1 1 65 65 CYS HB3 H 1 2.341 0.019 . 2 . . . A 65 CYS HB3 . 17988 1 414 . 1 1 66 66 HIS H H 1 9.265 0.065 . 1 . . . A 66 HIS H . 17988 1 415 . 1 1 66 66 HIS HA H 1 4.946 0.005 . 1 . . . A 66 HIS HA . 17988 1 416 . 1 1 66 66 HIS HB2 H 1 3.316 0.018 . 2 . . . A 66 HIS HB2 . 17988 1 417 . 1 1 66 66 HIS HB3 H 1 2.895 0.048 . 2 . . . A 66 HIS HB3 . 17988 1 418 . 1 1 66 66 HIS HD1 H 1 7.236 0.012 . 1 . . . A 66 HIS HD1 . 17988 1 419 . 1 1 66 66 HIS HD2 H 1 7.239 0.000 . 1 . . . A 66 HIS HD2 . 17988 1 420 . 1 1 66 66 HIS HE1 H 1 8.471 0.006 . 1 . . . A 66 HIS HE1 . 17988 1 stop_ save_