################################### # 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_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode shift_set_1 _Assigned_chem_shift_list.Entry_ID 5783 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $Ex-cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _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 '1H-1H TOCSY' 1 $sample_1 . 5783 1 2 '1H-1H NOESY' 1 $sample_1 . 5783 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 2 2 ILE HA H 1 4.231 0.02 . 1 . . . . . . . . . 5783 1 2 . 1 1 2 2 ILE HB H 1 1.752 0.02 . 1 . . . . . . . . . 5783 1 3 . 1 1 2 2 ILE HG12 H 1 1.125 0.02 . 2 . . . . . . . . . 5783 1 4 . 1 1 2 2 ILE HG13 H 1 1.417 0.02 . 2 . . . . . . . . . 5783 1 5 . 1 1 2 2 ILE HG21 H 1 0.838 0.02 . 1 . . . . . . . . . 5783 1 6 . 1 1 2 2 ILE HG22 H 1 0.838 0.02 . 1 . . . . . . . . . 5783 1 7 . 1 1 2 2 ILE HG23 H 1 0.838 0.02 . 1 . . . . . . . . . 5783 1 8 . 1 1 3 3 GLN H H 1 8.276 0.02 . 1 . . . . . . . . . 5783 1 9 . 1 1 3 3 GLN HA H 1 4.583 0.02 . 1 . . . . . . . . . 5783 1 10 . 1 1 3 3 GLN HB2 H 1 2.058 0.02 . 2 . . . . . . . . . 5783 1 11 . 1 1 3 3 GLN HB3 H 1 2.136 0.02 . 2 . . . . . . . . . 5783 1 12 . 1 1 3 3 GLN HG2 H 1 2.471 0.02 . 2 . . . . . . . . . 5783 1 13 . 1 1 3 3 GLN HG3 H 1 2.595 0.02 . 2 . . . . . . . . . 5783 1 14 . 1 1 3 3 GLN HE21 H 1 6.735 0.02 . 2 . . . . . . . . . 5783 1 15 . 1 1 3 3 GLN HE22 H 1 7.431 0.02 . 2 . . . . . . . . . 5783 1 16 . 1 1 4 4 ALA H H 1 9.243 0.02 . 1 . . . . . . . . . 5783 1 17 . 1 1 4 4 ALA HA H 1 4.837 0.02 . 1 . . . . . . . . . 5783 1 18 . 1 1 4 4 ALA HB1 H 1 1.569 0.02 . 1 . . . . . . . . . 5783 1 19 . 1 1 4 4 ALA HB2 H 1 1.569 0.02 . 1 . . . . . . . . . 5783 1 20 . 1 1 4 4 ALA HB3 H 1 1.569 0.02 . 1 . . . . . . . . . 5783 1 21 . 1 1 5 5 THR H H 1 8.176 0.02 . 1 . . . . . . . . . 5783 1 22 . 1 1 5 5 THR HA H 1 4.992 0.02 . 1 . . . . . . . . . 5783 1 23 . 1 1 5 5 THR HB H 1 4.096 0.02 . 1 . . . . . . . . . 5783 1 24 . 1 1 5 5 THR HG21 H 1 1.313 0.02 . 1 . . . . . . . . . 5783 1 25 . 1 1 5 5 THR HG22 H 1 1.313 0.02 . 1 . . . . . . . . . 5783 1 26 . 1 1 5 5 THR HG23 H 1 1.313 0.02 . 1 . . . . . . . . . 5783 1 27 . 1 1 6 6 PRO HA H 1 4.395 0.02 . 1 . . . . . . . . . 5783 1 28 . 1 1 6 6 PRO HB2 H 1 1.539 0.02 . 2 . . . . . . . . . 5783 1 29 . 1 1 6 6 PRO HB3 H 1 1.679 0.02 . 2 . . . . . . . . . 5783 1 30 . 1 1 6 6 PRO HG2 H 1 1.150 0.02 . 1 . . . . . . . . . 5783 1 31 . 1 1 6 6 PRO HD2 H 1 3.164 0.02 . 2 . . . . . . . . . 5783 1 32 . 1 1 6 6 PRO HD3 H 1 3.611 0.02 . 2 . . . . . . . . . 5783 1 33 . 1 1 7 7 LYS H H 1 9.242 0.02 . 1 . . . . . . . . . 5783 1 34 . 1 1 7 7 LYS HA H 1 4.507 0.02 . 1 . . . . . . . . . 5783 1 35 . 1 1 7 7 LYS HB2 H 1 1.494 0.02 . 2 . . . . . . . . . 5783 1 36 . 1 1 7 7 LYS HB3 H 1 1.782 0.02 . 2 . . . . . . . . . 5783 1 37 . 1 1 8 8 ILE H H 1 8.398 0.02 . 1 . . . . . . . . . 5783 1 38 . 1 1 8 8 ILE HA H 1 4.798 0.02 . 1 . . . . . . . . . 5783 1 39 . 1 1 8 8 ILE HB H 1 1.641 0.02 . 1 . . . . . . . . . 5783 1 40 . 1 1 8 8 ILE HG21 H 1 0.779 0.02 . 1 . . . . . . . . . 5783 1 41 . 1 1 8 8 ILE HG22 H 1 0.779 0.02 . 1 . . . . . . . . . 5783 1 42 . 1 1 8 8 ILE HG23 H 1 0.779 0.02 . 1 . . . . . . . . . 5783 1 43 . 1 1 9 9 GLN H H 1 9.110 0.02 . 1 . . . . . . . . . 5783 1 44 . 1 1 9 9 GLN HA H 1 4.921 0.02 . 1 . . . . . . . . . 5783 1 45 . 1 1 9 9 GLN HB2 H 1 2.192 0.02 . 2 . . . . . . . . . 5783 1 46 . 1 1 9 9 GLN HB3 H 1 2.333 0.02 . 2 . . . . . . . . . 5783 1 47 . 1 1 9 9 GLN HG2 H 1 2.418 0.02 . 1 . . . . . . . . . 5783 1 48 . 1 1 10 10 VAL H H 1 9.022 0.02 . 1 . . . . . . . . . 5783 1 49 . 1 1 10 10 VAL HA H 1 5.339 0.02 . 1 . . . . . . . . . 5783 1 50 . 1 1 10 10 VAL HB H 1 2.032 0.02 . 1 . . . . . . . . . 5783 1 51 . 1 1 10 10 VAL HG11 H 1 0.916 0.02 . 2 . . . . . . . . . 5783 1 52 . 1 1 10 10 VAL HG12 H 1 0.916 0.02 . 2 . . . . . . . . . 5783 1 53 . 1 1 10 10 VAL HG13 H 1 0.916 0.02 . 2 . . . . . . . . . 5783 1 54 . 1 1 10 10 VAL HG21 H 1 0.975 0.02 . 2 . . . . . . . . . 5783 1 55 . 1 1 10 10 VAL HG22 H 1 0.975 0.02 . 2 . . . . . . . . . 5783 1 56 . 1 1 10 10 VAL HG23 H 1 0.975 0.02 . 2 . . . . . . . . . 5783 1 57 . 1 1 11 11 TYR H H 1 8.469 0.02 . 1 . . . . . . . . . 5783 1 58 . 1 1 11 11 TYR HA H 1 5.316 0.02 . 1 . . . . . . . . . 5783 1 59 . 1 1 11 11 TYR HB2 H 1 3.166 0.02 . 2 . . . . . . . . . 5783 1 60 . 1 1 11 11 TYR HB3 H 1 3.397 0.02 . 2 . . . . . . . . . 5783 1 61 . 1 1 11 11 TYR HD1 H 1 6.811 0.02 . 1 . . . . . . . . . 5783 1 62 . 1 1 11 11 TYR HE1 H 1 6.555 0.02 . 1 . . . . . . . . . 5783 1 63 . 1 1 12 12 SER H H 1 9.332 0.02 . 1 . . . . . . . . . 5783 1 64 . 1 1 12 12 SER HA H 1 5.310 0.02 . 1 . . . . . . . . . 5783 1 65 . 1 1 12 12 SER HB2 H 1 3.391 0.02 . 2 . . . . . . . . . 5783 1 66 . 1 1 12 12 SER HB3 H 1 4.647 0.02 . 2 . . . . . . . . . 5783 1 67 . 1 1 13 13 ARG H H 1 8.858 0.02 . 1 . . . . . . . . . 5783 1 68 . 1 1 13 13 ARG HA H 1 3.924 0.02 . 1 . . . . . . . . . 5783 1 69 . 1 1 13 13 ARG HB2 H 1 1.743 0.02 . 2 . . . . . . . . . 5783 1 70 . 1 1 13 13 ARG HB3 H 1 1.943 0.02 . 2 . . . . . . . . . 5783 1 71 . 1 1 13 13 ARG HG2 H 1 1.416 0.02 . 1 . . . . . . . . . 5783 1 72 . 1 1 14 14 HIS H H 1 8.314 0.02 . 1 . . . . . . . . . 5783 1 73 . 1 1 14 14 HIS HA H 1 5.341 0.02 . 1 . . . . . . . . . 5783 1 74 . 1 1 14 14 HIS HB2 H 1 2.909 0.02 . 2 . . . . . . . . . 5783 1 75 . 1 1 14 14 HIS HB3 H 1 3.251 0.02 . 2 . . . . . . . . . 5783 1 76 . 1 1 14 14 HIS HD2 H 1 7.069 0.02 . 1 . . . . . . . . . 5783 1 77 . 1 1 14 14 HIS HE1 H 1 7.848 0.02 . 1 . . . . . . . . . 5783 1 78 . 1 1 15 15 PRO HA H 1 4.524 0.02 . 1 . . . . . . . . . 5783 1 79 . 1 1 15 15 PRO HB2 H 1 1.960 0.02 . 2 . . . . . . . . . 5783 1 80 . 1 1 15 15 PRO HB3 H 1 2.426 0.02 . 2 . . . . . . . . . 5783 1 81 . 1 1 15 15 PRO HG2 H 1 2.081 0.02 . 2 . . . . . . . . . 5783 1 82 . 1 1 15 15 PRO HG3 H 1 2.227 0.02 . 2 . . . . . . . . . 5783 1 83 . 1 1 15 15 PRO HD2 H 1 3.799 0.02 . 2 . . . . . . . . . 5783 1 84 . 1 1 15 15 PRO HD3 H 1 4.067 0.02 . 2 . . . . . . . . . 5783 1 85 . 1 1 16 16 ALA H H 1 9.006 0.02 . 1 . . . . . . . . . 5783 1 86 . 1 1 16 16 ALA HA H 1 4.108 0.02 . 1 . . . . . . . . . 5783 1 87 . 1 1 16 16 ALA HB1 H 1 1.687 0.02 . 1 . . . . . . . . . 5783 1 88 . 1 1 16 16 ALA HB2 H 1 1.687 0.02 . 1 . . . . . . . . . 5783 1 89 . 1 1 16 16 ALA HB3 H 1 1.687 0.02 . 1 . . . . . . . . . 5783 1 90 . 1 1 17 17 GLU H H 1 8.871 0.02 . 1 . . . . . . . . . 5783 1 91 . 1 1 17 17 GLU HA H 1 4.402 0.02 . 1 . . . . . . . . . 5783 1 92 . 1 1 17 17 GLU HB2 H 1 1.860 0.02 . 2 . . . . . . . . . 5783 1 93 . 1 1 17 17 GLU HB3 H 1 2.169 0.02 . 2 . . . . . . . . . 5783 1 94 . 1 1 19 19 GLY H H 1 8.818 0.02 . 1 . . . . . . . . . 5783 1 95 . 1 1 19 19 GLY HA2 H 1 3.527 0.02 . 2 . . . . . . . . . 5783 1 96 . 1 1 19 19 GLY HA3 H 1 4.185 0.02 . 2 . . . . . . . . . 5783 1 97 . 1 1 20 20 LYS H H 1 7.846 0.02 . 1 . . . . . . . . . 5783 1 98 . 1 1 20 20 LYS HA H 1 4.674 0.02 . 1 . . . . . . . . . 5783 1 99 . 1 1 20 20 LYS HB2 H 1 1.752 0.02 . 2 . . . . . . . . . 5783 1 100 . 1 1 20 20 LYS HB3 H 1 1.823 0.02 . 2 . . . . . . . . . 5783 1 101 . 1 1 20 20 LYS HG2 H 1 1.291 0.02 . 2 . . . . . . . . . 5783 1 102 . 1 1 20 20 LYS HG3 H 1 1.339 0.02 . 2 . . . . . . . . . 5783 1 103 . 1 1 20 20 LYS HD2 H 1 1.644 0.02 . 1 . . . . . . . . . 5783 1 104 . 1 1 21 21 SER H H 1 8.356 0.02 . 1 . . . . . . . . . 5783 1 105 . 1 1 21 21 SER HA H 1 4.245 0.02 . 1 . . . . . . . . . 5783 1 106 . 1 1 21 21 SER HB2 H 1 3.738 0.02 . 1 . . . . . . . . . 5783 1 107 . 1 1 22 22 ASN H H 1 8.898 0.02 . 1 . . . . . . . . . 5783 1 108 . 1 1 22 22 ASN HA H 1 4.875 0.02 . 1 . . . . . . . . . 5783 1 109 . 1 1 22 22 ASN HB2 H 1 2.557 0.02 . 2 . . . . . . . . . 5783 1 110 . 1 1 22 22 ASN HB3 H 1 2.748 0.02 . 2 . . . . . . . . . 5783 1 111 . 1 1 22 22 ASN HD21 H 1 7.753 0.02 . 2 . . . . . . . . . 5783 1 112 . 1 1 22 22 ASN HD22 H 1 7.436 0.02 . 2 . . . . . . . . . 5783 1 113 . 1 1 23 23 PHE H H 1 10.341 0.02 . 1 . . . . . . . . . 5783 1 114 . 1 1 23 23 PHE HA H 1 5.435 0.02 . 1 . . . . . . . . . 5783 1 115 . 1 1 23 23 PHE HB2 H 1 2.633 0.02 . 2 . . . . . . . . . 5783 1 116 . 1 1 23 23 PHE HB3 H 1 2.684 0.02 . 2 . . . . . . . . . 5783 1 117 . 1 1 23 23 PHE HD1 H 1 6.995 0.02 . 1 . . . . . . . . . 5783 1 118 . 1 1 23 23 PHE HE1 H 1 7.401 0.02 . 1 . . . . . . . . . 5783 1 119 . 1 1 23 23 PHE HZ H 1 7.348 0.02 . 1 . . . . . . . . . 5783 1 120 . 1 1 24 24 LEU H H 1 8.975 0.02 . 1 . . . . . . . . . 5783 1 121 . 1 1 24 24 LEU HA H 1 3.688 0.02 . 1 . . . . . . . . . 5783 1 122 . 1 1 24 24 LEU HB2 H 1 -0.800 0.02 . 2 . . . . . . . . . 5783 1 123 . 1 1 24 24 LEU HB3 H 1 0.824 0.02 . 2 . . . . . . . . . 5783 1 124 . 1 1 24 24 LEU HG H 1 0.660 0.02 . 1 . . . . . . . . . 5783 1 125 . 1 1 24 24 LEU HD11 H 1 -0.564 0.02 . 2 . . . . . . . . . 5783 1 126 . 1 1 24 24 LEU HD12 H 1 -0.564 0.02 . 2 . . . . . . . . . 5783 1 127 . 1 1 24 24 LEU HD13 H 1 -0.564 0.02 . 2 . . . . . . . . . 5783 1 128 . 1 1 24 24 LEU HD21 H 1 0.012 0.02 . 2 . . . . . . . . . 5783 1 129 . 1 1 24 24 LEU HD22 H 1 0.012 0.02 . 2 . . . . . . . . . 5783 1 130 . 1 1 24 24 LEU HD23 H 1 0.012 0.02 . 2 . . . . . . . . . 5783 1 131 . 1 1 25 25 ASN H H 1 8.197 0.02 . 1 . . . . . . . . . 5783 1 132 . 1 1 25 25 ASN HA H 1 5.380 0.02 . 1 . . . . . . . . . 5783 1 133 . 1 1 25 25 ASN HB2 H 1 1.450 0.02 . 2 . . . . . . . . . 5783 1 134 . 1 1 25 25 ASN HB3 H 1 1.842 0.02 . 2 . . . . . . . . . 5783 1 135 . 1 1 25 25 ASN HD21 H 1 5.547 0.02 . 2 . . . . . . . . . 5783 1 136 . 1 1 25 25 ASN HD22 H 1 5.743 0.02 . 2 . . . . . . . . . 5783 1 137 . 1 1 26 26 CYS H H 1 9.611 0.02 . 1 . . . . . . . . . 5783 1 138 . 1 1 26 26 CYS HA H 1 5.149 0.02 . 1 . . . . . . . . . 5783 1 139 . 1 1 26 26 CYS HB2 H 1 2.539 0.02 . 2 . . . . . . . . . 5783 1 140 . 1 1 26 26 CYS HB3 H 1 3.276 0.02 . 2 . . . . . . . . . 5783 1 141 . 1 1 27 27 TYR H H 1 9.643 0.02 . 1 . . . . . . . . . 5783 1 142 . 1 1 27 27 TYR HA H 1 5.414 0.02 . 1 . . . . . . . . . 5783 1 143 . 1 1 27 27 TYR HB2 H 1 3.172 0.02 . 1 . . . . . . . . . 5783 1 144 . 1 1 27 27 TYR HD1 H 1 7.156 0.02 . 1 . . . . . . . . . 5783 1 145 . 1 1 27 27 TYR HE1 H 1 6.569 0.02 . 1 . . . . . . . . . 5783 1 146 . 1 1 28 28 VAL H H 1 8.794 0.02 . 1 . . . . . . . . . 5783 1 147 . 1 1 28 28 VAL HA H 1 5.198 0.02 . 1 . . . . . . . . . 5783 1 148 . 1 1 28 28 VAL HB H 1 1.901 0.02 . 1 . . . . . . . . . 5783 1 149 . 1 1 28 28 VAL HG11 H 1 0.765 0.02 . 2 . . . . . . . . . 5783 1 150 . 1 1 28 28 VAL HG12 H 1 0.765 0.02 . 2 . . . . . . . . . 5783 1 151 . 1 1 28 28 VAL HG13 H 1 0.765 0.02 . 2 . . . . . . . . . 5783 1 152 . 1 1 28 28 VAL HG21 H 1 0.896 0.02 . 2 . . . . . . . . . 5783 1 153 . 1 1 28 28 VAL HG22 H 1 0.896 0.02 . 2 . . . . . . . . . 5783 1 154 . 1 1 28 28 VAL HG23 H 1 0.896 0.02 . 2 . . . . . . . . . 5783 1 155 . 1 1 29 29 SER H H 1 8.964 0.02 . 1 . . . . . . . . . 5783 1 156 . 1 1 29 29 SER HA H 1 5.730 0.02 . 1 . . . . . . . . . 5783 1 157 . 1 1 29 29 SER HB2 H 1 3.447 0.02 . 2 . . . . . . . . . 5783 1 158 . 1 1 29 29 SER HB3 H 1 3.858 0.02 . 2 . . . . . . . . . 5783 1 159 . 1 1 30 30 GLY H H 1 8.327 0.02 . 1 . . . . . . . . . 5783 1 160 . 1 1 30 30 GLY HA2 H 1 3.852 0.02 . 2 . . . . . . . . . 5783 1 161 . 1 1 30 30 GLY HA3 H 1 4.106 0.02 . 2 . . . . . . . . . 5783 1 162 . 1 1 31 31 PHE H H 1 7.081 0.02 . 1 . . . . . . . . . 5783 1 163 . 1 1 31 31 PHE HA H 1 4.845 0.02 . 1 . . . . . . . . . 5783 1 164 . 1 1 31 31 PHE HB2 H 1 1.978 0.02 . 2 . . . . . . . . . 5783 1 165 . 1 1 31 31 PHE HB3 H 1 2.332 0.02 . 2 . . . . . . . . . 5783 1 166 . 1 1 31 31 PHE HD1 H 1 7.004 0.02 . 1 . . . . . . . . . 5783 1 167 . 1 1 31 31 PHE HE1 H 1 7.262 0.02 . 1 . . . . . . . . . 5783 1 168 . 1 1 31 31 PHE HZ H 1 6.982 0.02 . 1 . . . . . . . . . 5783 1 169 . 1 1 32 32 HIS H H 1 8.537 0.02 . 1 . . . . . . . . . 5783 1 170 . 1 1 32 32 HIS HA H 1 4.524 0.02 . 1 . . . . . . . . . 5783 1 171 . 1 1 32 32 HIS HB2 H 1 3.155 0.02 . 2 . . . . . . . . . 5783 1 172 . 1 1 32 32 HIS HB3 H 1 3.269 0.02 . 2 . . . . . . . . . 5783 1 173 . 1 1 32 32 HIS HD2 H 1 7.072 0.02 . 1 . . . . . . . . . 5783 1 174 . 1 1 32 32 HIS HE1 H 1 7.848 0.02 . 1 . . . . . . . . . 5783 1 175 . 1 1 33 33 PRO HA H 1 3.984 0.02 . 1 . . . . . . . . . 5783 1 176 . 1 1 33 33 PRO HB2 H 1 2.384 0.02 . 1 . . . . . . . . . 5783 1 177 . 1 1 33 33 PRO HG2 H 1 1.676 0.02 . 2 . . . . . . . . . 5783 1 178 . 1 1 33 33 PRO HG3 H 1 1.988 0.02 . 2 . . . . . . . . . 5783 1 179 . 1 1 33 33 PRO HD2 H 1 3.618 0.02 . 2 . . . . . . . . . 5783 1 180 . 1 1 33 33 PRO HD3 H 1 3.892 0.02 . 2 . . . . . . . . . 5783 1 181 . 1 1 34 34 SER H H 1 8.341 0.02 . 1 . . . . . . . . . 5783 1 182 . 1 1 34 34 SER HA H 1 3.634 0.02 . 1 . . . . . . . . . 5783 1 183 . 1 1 34 34 SER HB2 H 1 3.256 0.02 . 1 . . . . . . . . . 5783 1 184 . 1 1 35 35 ASP H H 1 7.164 0.02 . 1 . . . . . . . . . 5783 1 185 . 1 1 35 35 ASP HA H 1 4.410 0.02 . 1 . . . . . . . . . 5783 1 186 . 1 1 35 35 ASP HB2 H 1 2.342 0.02 . 2 . . . . . . . . . 5783 1 187 . 1 1 35 35 ASP HB3 H 1 2.398 0.02 . 2 . . . . . . . . . 5783 1 188 . 1 1 36 36 ILE H H 1 7.960 0.02 . 1 . . . . . . . . . 5783 1 189 . 1 1 36 36 ILE HA H 1 4.553 0.02 . 1 . . . . . . . . . 5783 1 190 . 1 1 36 36 ILE HB H 1 1.376 0.02 . 1 . . . . . . . . . 5783 1 191 . 1 1 36 36 ILE HG12 H 1 0.674 0.02 . 2 . . . . . . . . . 5783 1 192 . 1 1 36 36 ILE HG13 H 1 1.490 0.02 . 2 . . . . . . . . . 5783 1 193 . 1 1 36 36 ILE HG21 H 1 0.555 0.02 . 1 . . . . . . . . . 5783 1 194 . 1 1 36 36 ILE HG22 H 1 0.555 0.02 . 1 . . . . . . . . . 5783 1 195 . 1 1 36 36 ILE HG23 H 1 0.555 0.02 . 1 . . . . . . . . . 5783 1 196 . 1 1 36 36 ILE HD11 H 1 -0.492 0.02 . 1 . . . . . . . . . 5783 1 197 . 1 1 36 36 ILE HD12 H 1 -0.492 0.02 . 1 . . . . . . . . . 5783 1 198 . 1 1 36 36 ILE HD13 H 1 -0.492 0.02 . 1 . . . . . . . . . 5783 1 199 . 1 1 37 37 GLU H H 1 7.985 0.02 . 1 . . . . . . . . . 5783 1 200 . 1 1 37 37 GLU HA H 1 4.578 0.02 . 1 . . . . . . . . . 5783 1 201 . 1 1 37 37 GLU HB2 H 1 1.761 0.02 . 2 . . . . . . . . . 5783 1 202 . 1 1 37 37 GLU HB3 H 1 1.932 0.02 . 2 . . . . . . . . . 5783 1 203 . 1 1 37 37 GLU HG2 H 1 2.042 0.02 . 2 . . . . . . . . . 5783 1 204 . 1 1 37 37 GLU HG3 H 1 2.072 0.02 . 2 . . . . . . . . . 5783 1 205 . 1 1 38 38 VAL H H 1 7.951 0.02 . 1 . . . . . . . . . 5783 1 206 . 1 1 38 38 VAL HA H 1 4.627 0.02 . 1 . . . . . . . . . 5783 1 207 . 1 1 38 38 VAL HB H 1 0.418 0.02 . 1 . . . . . . . . . 5783 1 208 . 1 1 38 38 VAL HG11 H 1 0.241 0.02 . 2 . . . . . . . . . 5783 1 209 . 1 1 38 38 VAL HG12 H 1 0.241 0.02 . 2 . . . . . . . . . 5783 1 210 . 1 1 38 38 VAL HG13 H 1 0.241 0.02 . 2 . . . . . . . . . 5783 1 211 . 1 1 38 38 VAL HG21 H 1 0.474 0.02 . 2 . . . . . . . . . 5783 1 212 . 1 1 38 38 VAL HG22 H 1 0.474 0.02 . 2 . . . . . . . . . 5783 1 213 . 1 1 38 38 VAL HG23 H 1 0.474 0.02 . 2 . . . . . . . . . 5783 1 214 . 1 1 39 39 ASP H H 1 8.849 0.02 . 1 . . . . . . . . . 5783 1 215 . 1 1 39 39 ASP HA H 1 4.938 0.02 . 1 . . . . . . . . . 5783 1 216 . 1 1 39 39 ASP HB2 H 1 2.169 0.02 . 2 . . . . . . . . . 5783 1 217 . 1 1 39 39 ASP HB3 H 1 2.404 0.02 . 2 . . . . . . . . . 5783 1 218 . 1 1 40 40 LEU H H 1 9.034 0.02 . 1 . . . . . . . . . 5783 1 219 . 1 1 40 40 LEU HA H 1 4.986 0.02 . 1 . . . . . . . . . 5783 1 220 . 1 1 40 40 LEU HB2 H 1 1.226 0.02 . 2 . . . . . . . . . 5783 1 221 . 1 1 40 40 LEU HB3 H 1 1.651 0.02 . 2 . . . . . . . . . 5783 1 222 . 1 1 40 40 LEU HG H 1 1.605 0.02 . 1 . . . . . . . . . 5783 1 223 . 1 1 40 40 LEU HD11 H 1 0.734 0.02 . 1 . . . . . . . . . 5783 1 224 . 1 1 40 40 LEU HD12 H 1 0.734 0.02 . 1 . . . . . . . . . 5783 1 225 . 1 1 40 40 LEU HD13 H 1 0.734 0.02 . 1 . . . . . . . . . 5783 1 226 . 1 1 41 41 LEU H H 1 8.968 0.02 . 1 . . . . . . . . . 5783 1 227 . 1 1 41 41 LEU HA H 1 4.996 0.02 . 1 . . . . . . . . . 5783 1 228 . 1 1 41 41 LEU HB2 H 1 0.774 0.02 . 2 . . . . . . . . . 5783 1 229 . 1 1 41 41 LEU HB3 H 1 1.582 0.02 . 2 . . . . . . . . . 5783 1 230 . 1 1 41 41 LEU HG H 1 1.193 0.02 . 1 . . . . . . . . . 5783 1 231 . 1 1 41 41 LEU HD11 H 1 0.392 0.02 . 2 . . . . . . . . . 5783 1 232 . 1 1 41 41 LEU HD12 H 1 0.392 0.02 . 2 . . . . . . . . . 5783 1 233 . 1 1 41 41 LEU HD13 H 1 0.392 0.02 . 2 . . . . . . . . . 5783 1 234 . 1 1 41 41 LEU HD21 H 1 0.584 0.02 . 2 . . . . . . . . . 5783 1 235 . 1 1 41 41 LEU HD22 H 1 0.584 0.02 . 2 . . . . . . . . . 5783 1 236 . 1 1 41 41 LEU HD23 H 1 0.584 0.02 . 2 . . . . . . . . . 5783 1 237 . 1 1 42 42 LYS H H 1 8.835 0.02 . 1 . . . . . . . . . 5783 1 238 . 1 1 42 42 LYS HA H 1 4.410 0.02 . 1 . . . . . . . . . 5783 1 239 . 1 1 42 42 LYS HB2 H 1 1.455 0.02 . 2 . . . . . . . . . 5783 1 240 . 1 1 42 42 LYS HD2 H 1 1.737 0.02 . 2 . . . . . . . . . 5783 1 241 . 1 1 43 43 ASN H H 1 9.733 0.02 . 1 . . . . . . . . . 5783 1 242 . 1 1 43 43 ASN HA H 1 4.357 0.02 . 1 . . . . . . . . . 5783 1 243 . 1 1 43 43 ASN HB2 H 1 2.891 0.02 . 1 . . . . . . . . . 5783 1 244 . 1 1 44 44 GLY H H 1 8.803 0.02 . 1 . . . . . . . . . 5783 1 245 . 1 1 44 44 GLY HA2 H 1 3.322 0.02 . 2 . . . . . . . . . 5783 1 246 . 1 1 44 44 GLY HA3 H 1 4.161 0.02 . 2 . . . . . . . . . 5783 1 247 . 1 1 45 45 GLU H H 1 7.812 0.02 . 1 . . . . . . . . . 5783 1 248 . 1 1 45 45 GLU HA H 1 4.583 0.02 . 1 . . . . . . . . . 5783 1 249 . 1 1 45 45 GLU HB2 H 1 1.951 0.02 . 2 . . . . . . . . . 5783 1 250 . 1 1 45 45 GLU HB3 H 1 2.044 0.02 . 2 . . . . . . . . . 5783 1 251 . 1 1 45 45 GLU HG2 H 1 2.111 0.02 . 2 . . . . . . . . . 5783 1 252 . 1 1 45 45 GLU HG3 H 1 2.288 0.02 . 2 . . . . . . . . . 5783 1 253 . 1 1 46 46 ARG H H 1 8.669 0.02 . 1 . . . . . . . . . 5783 1 254 . 1 1 46 46 ARG HA H 1 4.168 0.02 . 1 . . . . . . . . . 5783 1 255 . 1 1 46 46 ARG HB2 H 1 1.628 0.02 . 1 . . . . . . . . . 5783 1 256 . 1 1 46 46 ARG HG2 H 1 1.325 0.02 . 2 . . . . . . . . . 5783 1 257 . 1 1 46 46 ARG HG3 H 1 1.538 0.02 . 2 . . . . . . . . . 5783 1 258 . 1 1 46 46 ARG HD2 H 1 3.070 0.02 . 2 . . . . . . . . . 5783 1 259 . 1 1 46 46 ARG HD3 H 1 3.145 0.02 . 2 . . . . . . . . . 5783 1 260 . 1 1 47 47 ILE H H 1 8.787 0.02 . 1 . . . . . . . . . 5783 1 261 . 1 1 47 47 ILE HA H 1 3.983 0.02 . 1 . . . . . . . . . 5783 1 262 . 1 1 47 47 ILE HB H 1 1.527 0.02 . 1 . . . . . . . . . 5783 1 263 . 1 1 47 47 ILE HG12 H 1 1.031 0.02 . 2 . . . . . . . . . 5783 1 264 . 1 1 47 47 ILE HG13 H 1 1.690 0.02 . 2 . . . . . . . . . 5783 1 265 . 1 1 47 47 ILE HG21 H 1 0.975 0.02 . 1 . . . . . . . . . 5783 1 266 . 1 1 47 47 ILE HG22 H 1 0.975 0.02 . 1 . . . . . . . . . 5783 1 267 . 1 1 47 47 ILE HG23 H 1 0.975 0.02 . 1 . . . . . . . . . 5783 1 268 . 1 1 47 47 ILE HD11 H 1 0.836 0.02 . 1 . . . . . . . . . 5783 1 269 . 1 1 47 47 ILE HD12 H 1 0.836 0.02 . 1 . . . . . . . . . 5783 1 270 . 1 1 47 47 ILE HD13 H 1 0.836 0.02 . 1 . . . . . . . . . 5783 1 271 . 1 1 48 48 GLU H H 1 8.496 0.02 . 1 . . . . . . . . . 5783 1 272 . 1 1 48 48 GLU HA H 1 4.177 0.02 . 1 . . . . . . . . . 5783 1 273 . 1 1 48 48 GLU HB2 H 1 2.023 0.02 . 2 . . . . . . . . . 5783 1 274 . 1 1 48 48 GLU HB3 H 1 2.113 0.02 . 2 . . . . . . . . . 5783 1 275 . 1 1 48 48 GLU HG2 H 1 2.241 0.02 . 2 . . . . . . . . . 5783 1 276 . 1 1 48 48 GLU HG3 H 1 2.368 0.02 . 2 . . . . . . . . . 5783 1 277 . 1 1 49 49 LYS H H 1 7.960 0.02 . 1 . . . . . . . . . 5783 1 278 . 1 1 49 49 LYS HA H 1 4.512 0.02 . 1 . . . . . . . . . 5783 1 279 . 1 1 49 49 LYS HB2 H 1 1.741 0.02 . 2 . . . . . . . . . 5783 1 280 . 1 1 49 49 LYS HB3 H 1 1.919 0.02 . 2 . . . . . . . . . 5783 1 281 . 1 1 49 49 LYS HG2 H 1 1.383 0.02 . 2 . . . . . . . . . 5783 1 282 . 1 1 49 49 LYS HG3 H 1 1.484 0.02 . 2 . . . . . . . . . 5783 1 283 . 1 1 50 50 VAL H H 1 7.812 0.02 . 1 . . . . . . . . . 5783 1 284 . 1 1 50 50 VAL HA H 1 4.385 0.02 . 1 . . . . . . . . . 5783 1 285 . 1 1 50 50 VAL HB H 1 2.111 0.02 . 1 . . . . . . . . . 5783 1 286 . 1 1 50 50 VAL HG11 H 1 1.022 0.02 . 2 . . . . . . . . . 5783 1 287 . 1 1 50 50 VAL HG12 H 1 1.022 0.02 . 2 . . . . . . . . . 5783 1 288 . 1 1 50 50 VAL HG13 H 1 1.022 0.02 . 2 . . . . . . . . . 5783 1 289 . 1 1 50 50 VAL HG21 H 1 1.092 0.02 . 2 . . . . . . . . . 5783 1 290 . 1 1 50 50 VAL HG22 H 1 1.092 0.02 . 2 . . . . . . . . . 5783 1 291 . 1 1 50 50 VAL HG23 H 1 1.092 0.02 . 2 . . . . . . . . . 5783 1 292 . 1 1 51 51 GLU H H 1 8.432 0.02 . 1 . . . . . . . . . 5783 1 293 . 1 1 51 51 GLU HA H 1 4.480 0.02 . 1 . . . . . . . . . 5783 1 294 . 1 1 51 51 GLU HB2 H 1 0.751 0.02 . 2 . . . . . . . . . 5783 1 295 . 1 1 51 51 GLU HB3 H 1 1.571 0.02 . 2 . . . . . . . . . 5783 1 296 . 1 1 51 51 GLU HG2 H 1 2.069 0.02 . 1 . . . . . . . . . 5783 1 297 . 1 1 52 52 HIS H H 1 8.105 0.02 . 1 . . . . . . . . . 5783 1 298 . 1 1 52 52 HIS HA H 1 5.481 0.02 . 1 . . . . . . . . . 5783 1 299 . 1 1 52 52 HIS HB2 H 1 1.984 0.02 . 2 . . . . . . . . . 5783 1 300 . 1 1 52 52 HIS HB3 H 1 2.429 0.02 . 2 . . . . . . . . . 5783 1 301 . 1 1 53 53 SER H H 1 9.110 0.02 . 1 . . . . . . . . . 5783 1 302 . 1 1 53 53 SER HA H 1 4.647 0.02 . 1 . . . . . . . . . 5783 1 303 . 1 1 53 53 SER HB2 H 1 4.089 0.02 . 2 . . . . . . . . . 5783 1 304 . 1 1 53 53 SER HB3 H 1 4.446 0.02 . 2 . . . . . . . . . 5783 1 305 . 1 1 54 54 ASP H H 1 8.704 0.02 . 1 . . . . . . . . . 5783 1 306 . 1 1 54 54 ASP HA H 1 4.807 0.02 . 1 . . . . . . . . . 5783 1 307 . 1 1 54 54 ASP HB2 H 1 2.580 0.02 . 2 . . . . . . . . . 5783 1 308 . 1 1 54 54 ASP HB3 H 1 2.742 0.02 . 2 . . . . . . . . . 5783 1 309 . 1 1 55 55 LEU H H 1 8.715 0.02 . 1 . . . . . . . . . 5783 1 310 . 1 1 55 55 LEU HA H 1 4.310 0.02 . 1 . . . . . . . . . 5783 1 311 . 1 1 55 55 LEU HB2 H 1 1.878 0.02 . 1 . . . . . . . . . 5783 1 312 . 1 1 55 55 LEU HG H 1 1.695 0.02 . 1 . . . . . . . . . 5783 1 313 . 1 1 55 55 LEU HD11 H 1 0.904 0.02 . 2 . . . . . . . . . 5783 1 314 . 1 1 55 55 LEU HD12 H 1 0.904 0.02 . 2 . . . . . . . . . 5783 1 315 . 1 1 55 55 LEU HD13 H 1 0.904 0.02 . 2 . . . . . . . . . 5783 1 316 . 1 1 55 55 LEU HD21 H 1 1.054 0.02 . 2 . . . . . . . . . 5783 1 317 . 1 1 55 55 LEU HD22 H 1 1.054 0.02 . 2 . . . . . . . . . 5783 1 318 . 1 1 55 55 LEU HD23 H 1 1.054 0.02 . 2 . . . . . . . . . 5783 1 319 . 1 1 56 56 SER H H 1 8.046 0.02 . 1 . . . . . . . . . 5783 1 320 . 1 1 56 56 SER HA H 1 4.764 0.02 . 1 . . . . . . . . . 5783 1 321 . 1 1 56 56 SER HB2 H 1 2.735 0.02 . 2 . . . . . . . . . 5783 1 322 . 1 1 56 56 SER HB3 H 1 3.412 0.02 . 2 . . . . . . . . . 5783 1 323 . 1 1 57 57 PHE H H 1 8.135 0.02 . 1 . . . . . . . . . 5783 1 324 . 1 1 57 57 PHE HA H 1 5.047 0.02 . 1 . . . . . . . . . 5783 1 325 . 1 1 57 57 PHE HB2 H 1 2.639 0.02 . 1 . . . . . . . . . 5783 1 326 . 1 1 57 57 PHE HD1 H 1 6.503 0.02 . 1 . . . . . . . . . 5783 1 327 . 1 1 57 57 PHE HE1 H 1 6.976 0.02 . 1 . . . . . . . . . 5783 1 328 . 1 1 58 58 SER H H 1 8.276 0.02 . 1 . . . . . . . . . 5783 1 329 . 1 1 58 58 SER HA H 1 4.583 0.02 . 1 . . . . . . . . . 5783 1 330 . 1 1 58 58 SER HB2 H 1 3.881 0.02 . 1 . . . . . . . . . 5783 1 331 . 1 1 59 59 LYS HA H 1 3.819 0.02 . 1 . . . . . . . . . 5783 1 332 . 1 1 59 59 LYS HB2 H 1 1.735 0.02 . 2 . . . . . . . . . 5783 1 333 . 1 1 59 59 LYS HG2 H 1 1.386 0.02 . 2 . . . . . . . . . 5783 1 334 . 1 1 59 59 LYS HD2 H 1 1.639 0.02 . 1 . . . . . . . . . 5783 1 335 . 1 1 59 59 LYS HE2 H 1 2.960 0.02 . 1 . . . . . . . . . 5783 1 336 . 1 1 60 60 ASP H H 1 7.678 0.02 . 1 . . . . . . . . . 5783 1 337 . 1 1 60 60 ASP HA H 1 4.341 0.02 . 1 . . . . . . . . . 5783 1 338 . 1 1 60 60 ASP HB2 H 1 2.250 0.02 . 1 . . . . . . . . . 5783 1 339 . 1 1 61 61 TRP H H 1 7.669 0.02 . 1 . . . . . . . . . 5783 1 340 . 1 1 61 61 TRP HA H 1 5.222 0.02 . 1 . . . . . . . . . 5783 1 341 . 1 1 61 61 TRP HB2 H 1 2.099 0.02 . 1 . . . . . . . . . 5783 1 342 . 1 1 61 61 TRP HD1 H 1 6.847 0.02 . 1 . . . . . . . . . 5783 1 343 . 1 1 61 61 TRP HE1 H 1 9.631 0.02 . 1 . . . . . . . . . 5783 1 344 . 1 1 61 61 TRP HZ2 H 1 7.317 0.02 . 1 . . . . . . . . . 5783 1 345 . 1 1 62 62 SER H H 1 7.574 0.02 . 1 . . . . . . . . . 5783 1 346 . 1 1 62 62 SER HA H 1 3.681 0.02 . 1 . . . . . . . . . 5783 1 347 . 1 1 62 62 SER HB2 H 1 3.743 0.02 . 2 . . . . . . . . . 5783 1 348 . 1 1 62 62 SER HB3 H 1 3.784 0.02 . 2 . . . . . . . . . 5783 1 349 . 1 1 63 63 PHE H H 1 8.125 0.02 . 1 . . . . . . . . . 5783 1 350 . 1 1 63 63 PHE HA H 1 5.467 0.02 . 1 . . . . . . . . . 5783 1 351 . 1 1 63 63 PHE HB2 H 1 1.573 0.02 . 2 . . . . . . . . . 5783 1 352 . 1 1 63 63 PHE HB3 H 1 1.984 0.02 . 2 . . . . . . . . . 5783 1 353 . 1 1 63 63 PHE HD1 H 1 6.982 0.02 . 1 . . . . . . . . . 5783 1 354 . 1 1 63 63 PHE HE1 H 1 7.169 0.02 . 1 . . . . . . . . . 5783 1 355 . 1 1 63 63 PHE HZ H 1 7.253 0.02 . 1 . . . . . . . . . 5783 1 356 . 1 1 64 64 TYR H H 1 8.264 0.02 . 1 . . . . . . . . . 5783 1 357 . 1 1 64 64 TYR HA H 1 5.533 0.02 . 1 . . . . . . . . . 5783 1 358 . 1 1 64 64 TYR HB2 H 1 2.804 0.02 . 2 . . . . . . . . . 5783 1 359 . 1 1 64 64 TYR HB3 H 1 3.037 0.02 . 2 . . . . . . . . . 5783 1 360 . 1 1 64 64 TYR HD1 H 1 7.050 0.02 . 1 . . . . . . . . . 5783 1 361 . 1 1 64 64 TYR HE1 H 1 6.662 0.02 . 1 . . . . . . . . . 5783 1 362 . 1 1 65 65 LEU H H 1 9.104 0.02 . 1 . . . . . . . . . 5783 1 363 . 1 1 65 65 LEU HA H 1 4.591 0.02 . 1 . . . . . . . . . 5783 1 364 . 1 1 65 65 LEU HB2 H 1 1.946 0.02 . 1 . . . . . . . . . 5783 1 365 . 1 1 65 65 LEU HG H 1 1.743 0.02 . 1 . . . . . . . . . 5783 1 366 . 1 1 65 65 LEU HD11 H 1 0.966 0.02 . 2 . . . . . . . . . 5783 1 367 . 1 1 65 65 LEU HD12 H 1 0.966 0.02 . 2 . . . . . . . . . 5783 1 368 . 1 1 65 65 LEU HD13 H 1 0.966 0.02 . 2 . . . . . . . . . 5783 1 369 . 1 1 65 65 LEU HD21 H 1 1.028 0.02 . 2 . . . . . . . . . 5783 1 370 . 1 1 65 65 LEU HD22 H 1 1.028 0.02 . 2 . . . . . . . . . 5783 1 371 . 1 1 65 65 LEU HD23 H 1 1.028 0.02 . 2 . . . . . . . . . 5783 1 372 . 1 1 66 66 LEU H H 1 8.129 0.02 . 1 . . . . . . . . . 5783 1 373 . 1 1 66 66 LEU HA H 1 5.472 0.02 . 1 . . . . . . . . . 5783 1 374 . 1 1 66 66 LEU HB2 H 1 1.978 0.02 . 1 . . . . . . . . . 5783 1 375 . 1 1 66 66 LEU HG H 1 1.567 0.02 . 1 . . . . . . . . . 5783 1 376 . 1 1 66 66 LEU HD11 H 1 0.803 0.02 . 2 . . . . . . . . . 5783 1 377 . 1 1 66 66 LEU HD12 H 1 0.803 0.02 . 2 . . . . . . . . . 5783 1 378 . 1 1 66 66 LEU HD13 H 1 0.803 0.02 . 2 . . . . . . . . . 5783 1 379 . 1 1 66 66 LEU HD21 H 1 1.030 0.02 . 2 . . . . . . . . . 5783 1 380 . 1 1 66 66 LEU HD22 H 1 1.030 0.02 . 2 . . . . . . . . . 5783 1 381 . 1 1 66 66 LEU HD23 H 1 1.030 0.02 . 2 . . . . . . . . . 5783 1 382 . 1 1 67 67 TYR H H 1 9.130 0.02 . 1 . . . . . . . . . 5783 1 383 . 1 1 67 67 TYR HA H 1 5.344 0.02 . 1 . . . . . . . . . 5783 1 384 . 1 1 67 67 TYR HB2 H 1 2.636 0.02 . 2 . . . . . . . . . 5783 1 385 . 1 1 67 67 TYR HB3 H 1 3.042 0.02 . 2 . . . . . . . . . 5783 1 386 . 1 1 67 67 TYR HD1 H 1 6.973 0.02 . 1 . . . . . . . . . 5783 1 387 . 1 1 67 67 TYR HE1 H 1 6.631 0.02 . 1 . . . . . . . . . 5783 1 388 . 1 1 68 68 TYR H H 1 8.931 0.02 . 1 . . . . . . . . . 5783 1 389 . 1 1 68 68 TYR HA H 1 5.973 0.02 . 1 . . . . . . . . . 5783 1 390 . 1 1 68 68 TYR HB2 H 1 2.650 0.02 . 2 . . . . . . . . . 5783 1 391 . 1 1 68 68 TYR HB3 H 1 3.199 0.02 . 2 . . . . . . . . . 5783 1 392 . 1 1 68 68 TYR HD1 H 1 6.691 0.02 . 1 . . . . . . . . . 5783 1 393 . 1 1 68 68 TYR HE1 H 1 6.544 0.02 . 1 . . . . . . . . . 5783 1 394 . 1 1 69 69 THR H H 1 8.288 0.02 . 1 . . . . . . . . . 5783 1 395 . 1 1 69 69 THR HA H 1 4.861 0.02 . 1 . . . . . . . . . 5783 1 396 . 1 1 69 69 THR HB H 1 4.108 0.02 . 1 . . . . . . . . . 5783 1 397 . 1 1 69 69 THR HG21 H 1 0.945 0.02 . 1 . . . . . . . . . 5783 1 398 . 1 1 69 69 THR HG22 H 1 0.945 0.02 . 1 . . . . . . . . . 5783 1 399 . 1 1 69 69 THR HG23 H 1 0.945 0.02 . 1 . . . . . . . . . 5783 1 400 . 1 1 70 70 GLU H H 1 8.491 0.02 . 1 . . . . . . . . . 5783 1 401 . 1 1 70 70 GLU HA H 1 4.314 0.02 . 1 . . . . . . . . . 5783 1 402 . 1 1 70 70 GLU HB2 H 1 1.701 0.02 . 2 . . . . . . . . . 5783 1 403 . 1 1 70 70 GLU HB3 H 1 1.827 0.02 . 2 . . . . . . . . . 5783 1 404 . 1 1 70 70 GLU HG2 H 1 1.880 0.02 . 1 . . . . . . . . . 5783 1 405 . 1 1 71 71 PHE H H 1 8.750 0.02 . 1 . . . . . . . . . 5783 1 406 . 1 1 71 71 PHE HA H 1 4.833 0.02 . 1 . . . . . . . . . 5783 1 407 . 1 1 71 71 PHE HB2 H 1 2.682 0.02 . 2 . . . . . . . . . 5783 1 408 . 1 1 71 71 PHE HB3 H 1 2.767 0.02 . 2 . . . . . . . . . 5783 1 409 . 1 1 71 71 PHE HD1 H 1 6.203 0.02 . 3 . . . . . . . . . 5783 1 410 . 1 1 71 71 PHE HZ H 1 5.718 0.02 . 1 . . . . . . . . . 5783 1 411 . 1 1 72 72 THR H H 1 8.201 0.02 . 1 . . . . . . . . . 5783 1 412 . 1 1 72 72 THR HA H 1 4.465 0.02 . 1 . . . . . . . . . 5783 1 413 . 1 1 72 72 THR HB H 1 3.870 0.02 . 1 . . . . . . . . . 5783 1 414 . 1 1 72 72 THR HG21 H 1 0.854 0.02 . 1 . . . . . . . . . 5783 1 415 . 1 1 72 72 THR HG22 H 1 0.854 0.02 . 1 . . . . . . . . . 5783 1 416 . 1 1 72 72 THR HG23 H 1 0.854 0.02 . 1 . . . . . . . . . 5783 1 417 . 1 1 73 73 PRO HA H 1 4.579 0.02 . 1 . . . . . . . . . 5783 1 418 . 1 1 73 73 PRO HB2 H 1 2.197 0.02 . 2 . . . . . . . . . 5783 1 419 . 1 1 73 73 PRO HB3 H 1 2.401 0.02 . 2 . . . . . . . . . 5783 1 420 . 1 1 73 73 PRO HG2 H 1 1.397 0.02 . 2 . . . . . . . . . 5783 1 421 . 1 1 73 73 PRO HG3 H 1 1.973 0.02 . 2 . . . . . . . . . 5783 1 422 . 1 1 73 73 PRO HD2 H 1 2.238 0.02 . 2 . . . . . . . . . 5783 1 423 . 1 1 73 73 PRO HD3 H 1 3.966 0.02 . 2 . . . . . . . . . 5783 1 424 . 1 1 74 74 THR H H 1 8.064 0.02 . 1 . . . . . . . . . 5783 1 425 . 1 1 74 74 THR HA H 1 4.675 0.02 . 1 . . . . . . . . . 5783 1 426 . 1 1 74 74 THR HB H 1 4.542 0.02 . 1 . . . . . . . . . 5783 1 427 . 1 1 74 74 THR HG21 H 1 1.315 0.02 . 1 . . . . . . . . . 5783 1 428 . 1 1 74 74 THR HG22 H 1 1.315 0.02 . 1 . . . . . . . . . 5783 1 429 . 1 1 74 74 THR HG23 H 1 1.315 0.02 . 1 . . . . . . . . . 5783 1 430 . 1 1 75 75 GLU H H 1 9.094 0.02 . 1 . . . . . . . . . 5783 1 431 . 1 1 75 75 GLU HA H 1 4.206 0.02 . 1 . . . . . . . . . 5783 1 432 . 1 1 75 75 GLU HB2 H 1 2.077 0.02 . 2 . . . . . . . . . 5783 1 433 . 1 1 75 75 GLU HG2 H 1 2.275 0.02 . 2 . . . . . . . . . 5783 1 434 . 1 1 75 75 GLU HG3 H 1 2.352 0.02 . 2 . . . . . . . . . 5783 1 435 . 1 1 76 76 LYS H H 1 7.799 0.02 . 1 . . . . . . . . . 5783 1 436 . 1 1 76 76 LYS HA H 1 4.458 0.02 . 1 . . . . . . . . . 5783 1 437 . 1 1 76 76 LYS HB2 H 1 1.783 0.02 . 2 . . . . . . . . . 5783 1 438 . 1 1 76 76 LYS HB3 H 1 1.865 0.02 . 2 . . . . . . . . . 5783 1 439 . 1 1 76 76 LYS HG2 H 1 1.409 0.02 . 2 . . . . . . . . . 5783 1 440 . 1 1 76 76 LYS HD2 H 1 1.679 0.02 . 2 . . . . . . . . . 5783 1 441 . 1 1 76 76 LYS HE2 H 1 2.986 0.02 . 2 . . . . . . . . . 5783 1 442 . 1 1 77 77 ASP H H 1 7.116 0.02 . 1 . . . . . . . . . 5783 1 443 . 1 1 77 77 ASP HA H 1 5.117 0.02 . 1 . . . . . . . . . 5783 1 444 . 1 1 77 77 ASP HB2 H 1 2.139 0.02 . 2 . . . . . . . . . 5783 1 445 . 1 1 77 77 ASP HB3 H 1 2.808 0.02 . 2 . . . . . . . . . 5783 1 446 . 1 1 78 78 GLU H H 1 8.598 0.02 . 1 . . . . . . . . . 5783 1 447 . 1 1 78 78 GLU HA H 1 4.797 0.02 . 1 . . . . . . . . . 5783 1 448 . 1 1 78 78 GLU HB2 H 1 1.989 0.02 . 2 . . . . . . . . . 5783 1 449 . 1 1 78 78 GLU HB3 H 1 2.081 0.02 . 2 . . . . . . . . . 5783 1 450 . 1 1 78 78 GLU HG2 H 1 2.368 0.02 . 2 . . . . . . . . . 5783 1 451 . 1 1 79 79 TYR H H 1 9.461 0.02 . 1 . . . . . . . . . 5783 1 452 . 1 1 79 79 TYR HA H 1 5.589 0.02 . 1 . . . . . . . . . 5783 1 453 . 1 1 79 79 TYR HB2 H 1 2.718 0.02 . 2 . . . . . . . . . 5783 1 454 . 1 1 79 79 TYR HB3 H 1 2.812 0.02 . 2 . . . . . . . . . 5783 1 455 . 1 1 79 79 TYR HD1 H 1 7.093 0.02 . 3 . . . . . . . . . 5783 1 456 . 1 1 79 79 TYR HE1 H 1 6.879 0.02 . 3 . . . . . . . . . 5783 1 457 . 1 1 80 80 ALA H H 1 8.791 0.02 . 1 . . . . . . . . . 5783 1 458 . 1 1 80 80 ALA HA H 1 5.038 0.02 . 1 . . . . . . . . . 5783 1 459 . 1 1 80 80 ALA HB1 H 1 1.191 0.02 . 1 . . . . . . . . . 5783 1 460 . 1 1 80 80 ALA HB2 H 1 1.191 0.02 . 1 . . . . . . . . . 5783 1 461 . 1 1 80 80 ALA HB3 H 1 1.191 0.02 . 1 . . . . . . . . . 5783 1 462 . 1 1 81 81 CYS H H 1 9.094 0.02 . 1 . . . . . . . . . 5783 1 463 . 1 1 81 81 CYS HA H 1 5.104 0.02 . 1 . . . . . . . . . 5783 1 464 . 1 1 81 81 CYS HB2 H 1 2.611 0.02 . 2 . . . . . . . . . 5783 1 465 . 1 1 81 81 CYS HB3 H 1 3.050 0.02 . 2 . . . . . . . . . 5783 1 466 . 1 1 82 82 ARG H H 1 9.407 0.02 . 1 . . . . . . . . . 5783 1 467 . 1 1 82 82 ARG HA H 1 5.391 0.02 . 1 . . . . . . . . . 5783 1 468 . 1 1 82 82 ARG HB2 H 1 1.184 0.02 . 2 . . . . . . . . . 5783 1 469 . 1 1 82 82 ARG HB3 H 1 1.789 0.02 . 2 . . . . . . . . . 5783 1 470 . 1 1 82 82 ARG HG2 H 1 1.266 0.02 . 2 . . . . . . . . . 5783 1 471 . 1 1 83 83 VAL H H 1 8.973 0.02 . 1 . . . . . . . . . 5783 1 472 . 1 1 83 83 VAL HA H 1 4.996 0.02 . 1 . . . . . . . . . 5783 1 473 . 1 1 83 83 VAL HB H 1 1.562 0.02 . 1 . . . . . . . . . 5783 1 474 . 1 1 83 83 VAL HG11 H 1 0.824 0.02 . 2 . . . . . . . . . 5783 1 475 . 1 1 83 83 VAL HG12 H 1 0.824 0.02 . 2 . . . . . . . . . 5783 1 476 . 1 1 83 83 VAL HG13 H 1 0.824 0.02 . 2 . . . . . . . . . 5783 1 477 . 1 1 83 83 VAL HG21 H 1 0.780 0.02 . 2 . . . . . . . . . 5783 1 478 . 1 1 83 83 VAL HG22 H 1 0.780 0.02 . 2 . . . . . . . . . 5783 1 479 . 1 1 83 83 VAL HG23 H 1 0.780 0.02 . 2 . . . . . . . . . 5783 1 480 . 1 1 84 84 ASN H H 1 9.013 0.02 . 1 . . . . . . . . . 5783 1 481 . 1 1 84 84 ASN HA H 1 5.187 0.02 . 1 . . . . . . . . . 5783 1 482 . 1 1 84 84 ASN HB2 H 1 2.387 0.02 . 2 . . . . . . . . . 5783 1 483 . 1 1 84 84 ASN HB3 H 1 2.806 0.02 . 2 . . . . . . . . . 5783 1 484 . 1 1 85 85 HIS H H 1 7.740 0.02 . 1 . . . . . . . . . 5783 1 485 . 1 1 85 85 HIS HA H 1 4.555 0.02 . 1 . . . . . . . . . 5783 1 486 . 1 1 85 85 HIS HB2 H 1 2.423 0.02 . 2 . . . . . . . . . 5783 1 487 . 1 1 85 85 HIS HB3 H 1 2.901 0.02 . 2 . . . . . . . . . 5783 1 488 . 1 1 85 85 HIS HD1 H 1 7.554 0.02 . 1 . . . . . . . . . 5783 1 489 . 1 1 85 85 HIS HE1 H 1 8.133 0.02 . 1 . . . . . . . . . 5783 1 490 . 1 1 86 86 VAL H H 1 7.986 0.02 . 1 . . . . . . . . . 5783 1 491 . 1 1 86 86 VAL HA H 1 3.976 0.02 . 1 . . . . . . . . . 5783 1 492 . 1 1 86 86 VAL HB H 1 1.929 0.02 . 1 . . . . . . . . . 5783 1 493 . 1 1 86 86 VAL HG11 H 1 0.620 0.02 . 2 . . . . . . . . . 5783 1 494 . 1 1 86 86 VAL HG12 H 1 0.620 0.02 . 2 . . . . . . . . . 5783 1 495 . 1 1 86 86 VAL HG13 H 1 0.620 0.02 . 2 . . . . . . . . . 5783 1 496 . 1 1 86 86 VAL HG21 H 1 0.855 0.02 . 2 . . . . . . . . . 5783 1 497 . 1 1 86 86 VAL HG22 H 1 0.855 0.02 . 2 . . . . . . . . . 5783 1 498 . 1 1 86 86 VAL HG23 H 1 0.855 0.02 . 2 . . . . . . . . . 5783 1 499 . 1 1 87 87 THR H H 1 7.587 0.02 . 1 . . . . . . . . . 5783 1 500 . 1 1 87 87 THR HA H 1 4.162 0.02 . 1 . . . . . . . . . 5783 1 501 . 1 1 87 87 THR HB H 1 4.492 0.02 . 1 . . . . . . . . . 5783 1 502 . 1 1 87 87 THR HG21 H 1 1.480 0.02 . 1 . . . . . . . . . 5783 1 503 . 1 1 87 87 THR HG22 H 1 1.480 0.02 . 1 . . . . . . . . . 5783 1 504 . 1 1 87 87 THR HG23 H 1 1.480 0.02 . 1 . . . . . . . . . 5783 1 505 . 1 1 88 88 LEU H H 1 8.034 0.02 . 1 . . . . . . . . . 5783 1 506 . 1 1 88 88 LEU HA H 1 4.757 0.02 . 1 . . . . . . . . . 5783 1 507 . 1 1 88 88 LEU HB2 H 1 1.837 0.02 . 2 . . . . . . . . . 5783 1 508 . 1 1 88 88 LEU HB3 H 1 2.033 0.02 . 2 . . . . . . . . . 5783 1 509 . 1 1 88 88 LEU HG H 1 1.713 0.02 . 1 . . . . . . . . . 5783 1 510 . 1 1 88 88 LEU HD11 H 1 0.968 0.02 . 2 . . . . . . . . . 5783 1 511 . 1 1 88 88 LEU HD12 H 1 0.968 0.02 . 2 . . . . . . . . . 5783 1 512 . 1 1 88 88 LEU HD13 H 1 0.968 0.02 . 2 . . . . . . . . . 5783 1 513 . 1 1 89 89 SER HA H 1 4.239 0.02 . 1 . . . . . . . . . 5783 1 514 . 1 1 89 89 SER HB2 H 1 3.952 0.02 . 2 . . . . . . . . . 5783 1 515 . 1 1 89 89 SER HB3 H 1 3.971 0.02 . 2 . . . . . . . . . 5783 1 516 . 1 1 90 90 GLN H H 1 7.531 0.02 . 1 . . . . . . . . . 5783 1 517 . 1 1 90 90 GLN HA H 1 4.733 0.02 . 1 . . . . . . . . . 5783 1 518 . 1 1 90 90 GLN HB2 H 1 1.884 0.02 . 2 . . . . . . . . . 5783 1 519 . 1 1 90 90 GLN HB3 H 1 2.141 0.02 . 2 . . . . . . . . . 5783 1 520 . 1 1 90 90 GLN HG2 H 1 2.291 0.02 . 2 . . . . . . . . . 5783 1 521 . 1 1 91 91 PRO HA H 1 4.491 0.02 . 1 . . . . . . . . . 5783 1 522 . 1 1 91 91 PRO HB2 H 1 1.493 0.02 . 2 . . . . . . . . . 5783 1 523 . 1 1 91 91 PRO HB3 H 1 1.838 0.02 . 2 . . . . . . . . . 5783 1 524 . 1 1 91 91 PRO HG2 H 1 1.768 0.02 . 2 . . . . . . . . . 5783 1 525 . 1 1 91 91 PRO HG3 H 1 1.995 0.02 . 2 . . . . . . . . . 5783 1 526 . 1 1 91 91 PRO HD2 H 1 3.522 0.02 . 2 . . . . . . . . . 5783 1 527 . 1 1 91 91 PRO HD3 H 1 3.729 0.02 . 2 . . . . . . . . . 5783 1 528 . 1 1 92 92 LYS H H 1 8.732 0.02 . 1 . . . . . . . . . 5783 1 529 . 1 1 92 92 LYS HA H 1 4.516 0.02 . 1 . . . . . . . . . 5783 1 530 . 1 1 92 92 LYS HB2 H 1 1.647 0.02 . 2 . . . . . . . . . 5783 1 531 . 1 1 92 92 LYS HB3 H 1 1.746 0.02 . 2 . . . . . . . . . 5783 1 532 . 1 1 92 92 LYS HG2 H 1 1.347 0.02 . 2 . . . . . . . . . 5783 1 533 . 1 1 92 92 LYS HG3 H 1 1.412 0.02 . 2 . . . . . . . . . 5783 1 534 . 1 1 93 93 ILE H H 1 8.499 0.02 . 1 . . . . . . . . . 5783 1 535 . 1 1 93 93 ILE HA H 1 4.789 0.02 . 1 . . . . . . . . . 5783 1 536 . 1 1 93 93 ILE HB H 1 1.701 0.02 . 1 . . . . . . . . . 5783 1 537 . 1 1 93 93 ILE HG12 H 1 1.414 0.02 . 2 . . . . . . . . . 5783 1 538 . 1 1 93 93 ILE HG21 H 1 0.616 0.02 . 1 . . . . . . . . . 5783 1 539 . 1 1 93 93 ILE HG22 H 1 0.616 0.02 . 1 . . . . . . . . . 5783 1 540 . 1 1 93 93 ILE HG23 H 1 0.616 0.02 . 1 . . . . . . . . . 5783 1 541 . 1 1 93 93 ILE HD11 H 1 0.742 0.02 . 1 . . . . . . . . . 5783 1 542 . 1 1 93 93 ILE HD12 H 1 0.742 0.02 . 1 . . . . . . . . . 5783 1 543 . 1 1 93 93 ILE HD13 H 1 0.742 0.02 . 1 . . . . . . . . . 5783 1 544 . 1 1 94 94 VAL H H 1 9.052 0.02 . 1 . . . . . . . . . 5783 1 545 . 1 1 94 94 VAL HA H 1 4.318 0.02 . 1 . . . . . . . . . 5783 1 546 . 1 1 94 94 VAL HB H 1 1.887 0.02 . 1 . . . . . . . . . 5783 1 547 . 1 1 94 94 VAL HG11 H 1 0.907 0.02 . 2 . . . . . . . . . 5783 1 548 . 1 1 94 94 VAL HG12 H 1 0.907 0.02 . 2 . . . . . . . . . 5783 1 549 . 1 1 94 94 VAL HG13 H 1 0.907 0.02 . 2 . . . . . . . . . 5783 1 550 . 1 1 94 94 VAL HG21 H 1 1.024 0.02 . 2 . . . . . . . . . 5783 1 551 . 1 1 94 94 VAL HG22 H 1 1.024 0.02 . 2 . . . . . . . . . 5783 1 552 . 1 1 94 94 VAL HG23 H 1 1.024 0.02 . 2 . . . . . . . . . 5783 1 553 . 1 1 95 95 LYS H H 1 8.790 0.02 . 1 . . . . . . . . . 5783 1 554 . 1 1 95 95 LYS HA H 1 4.445 0.02 . 1 . . . . . . . . . 5783 1 555 . 1 1 95 95 LYS HB2 H 1 1.838 0.02 . 2 . . . . . . . . . 5783 1 556 . 1 1 95 95 LYS HG2 H 1 1.438 0.02 . 2 . . . . . . . . . 5783 1 557 . 1 1 95 95 LYS HG3 H 1 1.534 0.02 . 2 . . . . . . . . . 5783 1 558 . 1 1 96 96 TRP H H 1 8.695 0.02 . 1 . . . . . . . . . 5783 1 559 . 1 1 96 96 TRP HA H 1 4.656 0.02 . 1 . . . . . . . . . 5783 1 560 . 1 1 96 96 TRP HB2 H 1 2.600 0.02 . 2 . . . . . . . . . 5783 1 561 . 1 1 96 96 TRP HB3 H 1 3.481 0.02 . 2 . . . . . . . . . 5783 1 562 . 1 1 96 96 TRP HD1 H 1 7.114 0.02 . 1 . . . . . . . . . 5783 1 563 . 1 1 96 96 TRP HE1 H 1 10.457 0.02 . 1 . . . . . . . . . 5783 1 564 . 1 1 96 96 TRP HE3 H 1 7.970 0.02 . 1 . . . . . . . . . 5783 1 565 . 1 1 96 96 TRP HZ2 H 1 7.633 0.02 . 1 . . . . . . . . . 5783 1 566 . 1 1 96 96 TRP HZ3 H 1 7.618 0.02 . 1 . . . . . . . . . 5783 1 567 . 1 1 96 96 TRP HH2 H 1 7.477 0.02 . 1 . . . . . . . . . 5783 1 568 . 1 1 97 97 ASP H H 1 8.432 0.02 . 1 . . . . . . . . . 5783 1 569 . 1 1 97 97 ASP HA H 1 4.480 0.02 . 1 . . . . . . . . . 5783 1 570 . 1 1 97 97 ASP HB2 H 1 2.458 0.02 . 2 . . . . . . . . . 5783 1 571 . 1 1 97 97 ASP HB3 H 1 2.754 0.02 . 2 . . . . . . . . . 5783 1 572 . 1 1 98 98 ARG H H 1 7.427 0.02 . 1 . . . . . . . . . 5783 1 573 . 1 1 98 98 ARG HA H 1 3.390 0.02 . 1 . . . . . . . . . 5783 1 574 . 1 1 98 98 ARG HB2 H 1 1.130 0.02 . 2 . . . . . . . . . 5783 1 575 . 1 1 98 98 ARG HB3 H 1 1.413 0.02 . 2 . . . . . . . . . 5783 1 576 . 1 1 98 98 ARG HG2 H 1 0.930 0.02 . 2 . . . . . . . . . 5783 1 577 . 1 1 98 98 ARG HD2 H 1 2.951 0.02 . 2 . . . . . . . . . 5783 1 578 . 1 1 99 99 ASP H H 1 8.195 0.02 . 1 . . . . . . . . . 5783 1 579 . 1 1 99 99 ASP HA H 1 4.649 0.02 . 1 . . . . . . . . . 5783 1 580 . 1 1 99 99 ASP HB2 H 1 2.598 0.02 . 2 . . . . . . . . . 5783 1 581 . 1 1 99 99 ASP HB3 H 1 2.775 0.02 . 2 . . . . . . . . . 5783 1 582 . 1 1 100 100 MET H H 1 7.587 0.02 . 1 . . . . . . . . . 5783 1 583 . 1 1 100 100 MET HA H 1 4.284 0.02 . 1 . . . . . . . . . 5783 1 584 . 1 1 100 100 MET HB2 H 1 2.027 0.02 . 2 . . . . . . . . . 5783 1 585 . 1 1 100 100 MET HB3 H 1 2.161 0.02 . 2 . . . . . . . . . 5783 1 586 . 1 1 100 100 MET HG2 H 1 2.539 0.02 . 2 . . . . . . . . . 5783 1 587 . 1 1 100 100 MET HG3 H 1 2.578 0.02 . 2 . . . . . . . . . 5783 1 stop_ save_