################################### # 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 5782 _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 'Principal conformational species (75%).' _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' . . . 5782 1 2 '1H-1H NOESY' . . . 5782 1 3 '1H-1H DQF-COSY' . . . 5782 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 MET HA H 1 3.977 0.02 . 1 . . . . . . . . . 5782 1 2 . 1 1 1 1 MET HB2 H 1 2.157 0.02 . 2 . . . . . . . . . 5782 1 3 . 1 1 1 1 MET HB3 H 1 2.053 0.02 . 2 . . . . . . . . . 5782 1 4 . 1 1 1 1 MET HG2 H 1 2.745 0.02 . 2 . . . . . . . . . 5782 1 5 . 1 1 1 1 MET HG3 H 1 2.524 0.02 . 2 . . . . . . . . . 5782 1 6 . 1 1 2 2 THR HA H 1 5.007 0.02 . 1 . . . . . . . . . 5782 1 7 . 1 1 2 2 THR HB H 1 4.135 0.02 . 1 . . . . . . . . . 5782 1 8 . 1 1 2 2 THR HG21 H 1 1.348 0.02 . 1 . . . . . . . . . 5782 1 9 . 1 1 2 2 THR HG22 H 1 1.348 0.02 . 1 . . . . . . . . . 5782 1 10 . 1 1 2 2 THR HG23 H 1 1.348 0.02 . 1 . . . . . . . . . 5782 1 11 . 1 1 3 3 PRO HA H 1 4.393 0.02 . 1 . . . . . . . . . 5782 1 12 . 1 1 3 3 PRO HB2 H 1 1.507 0.02 . 1 . . . . . . . . . 5782 1 13 . 1 1 3 3 PRO HD2 H 1 3.588 0.02 . 2 . . . . . . . . . 5782 1 14 . 1 1 3 3 PRO HD3 H 1 3.448 0.02 . 2 . . . . . . . . . 5782 1 15 . 1 1 3 3 PRO HG2 H 1 1.679 0.02 . 2 . . . . . . . . . 5782 1 16 . 1 1 3 3 PRO HG3 H 1 1.205 0.02 . 2 . . . . . . . . . 5782 1 17 . 1 1 4 4 LYS H H 1 9.168 0.02 . 1 . . . . . . . . . 5782 1 18 . 1 1 4 4 LYS HA H 1 4.516 0.02 . 1 . . . . . . . . . 5782 1 19 . 1 1 4 4 LYS HB2 H 1 1.785 0.02 . 2 . . . . . . . . . 5782 1 20 . 1 1 4 4 LYS HB3 H 1 1.523 0.02 . 2 . . . . . . . . . 5782 1 21 . 1 1 4 4 LYS HG2 H 1 1.635 0.02 . 2 . . . . . . . . . 5782 1 22 . 1 1 4 4 LYS HG3 H 1 1.444 0.02 . 2 . . . . . . . . . 5782 1 23 . 1 1 5 5 ILE H H 1 8.446 0.02 . 1 . . . . . . . . . 5782 1 24 . 1 1 5 5 ILE HA H 1 4.886 0.02 . 1 . . . . . . . . . 5782 1 25 . 1 1 5 5 ILE HB H 1 1.695 0.02 . 1 . . . . . . . . . 5782 1 26 . 1 1 5 5 ILE HD11 H 1 0.655 0.02 . 1 . . . . . . . . . 5782 1 27 . 1 1 5 5 ILE HD12 H 1 0.655 0.02 . 1 . . . . . . . . . 5782 1 28 . 1 1 5 5 ILE HD13 H 1 0.655 0.02 . 1 . . . . . . . . . 5782 1 29 . 1 1 5 5 ILE HG12 H 1 1.426 0.02 . 1 . . . . . . . . . 5782 1 30 . 1 1 5 5 ILE HG21 H 1 0.783 0.02 . 1 . . . . . . . . . 5782 1 31 . 1 1 5 5 ILE HG22 H 1 0.783 0.02 . 1 . . . . . . . . . 5782 1 32 . 1 1 5 5 ILE HG23 H 1 0.783 0.02 . 1 . . . . . . . . . 5782 1 33 . 1 1 6 6 GLN H H 1 9.144 0.02 . 1 . . . . . . . . . 5782 1 34 . 1 1 6 6 GLN HA H 1 4.946 0.02 . 1 . . . . . . . . . 5782 1 35 . 1 1 6 6 GLN HB2 H 1 2.348 0.02 . 2 . . . . . . . . . 5782 1 36 . 1 1 6 6 GLN HB3 H 1 2.189 0.02 . 2 . . . . . . . . . 5782 1 37 . 1 1 6 6 GLN HE21 H 1 7.492 0.02 . 2 . . . . . . . . . 5782 1 38 . 1 1 6 6 GLN HE22 H 1 6.818 0.02 . 2 . . . . . . . . . 5782 1 39 . 1 1 6 6 GLN HG2 H 1 2.414 0.02 . 1 . . . . . . . . . 5782 1 40 . 1 1 7 7 VAL H H 1 9.006 0.02 . 1 . . . . . . . . . 5782 1 41 . 1 1 7 7 VAL HA H 1 5.360 0.02 . 1 . . . . . . . . . 5782 1 42 . 1 1 7 7 VAL HB H 1 2.043 0.02 . 1 . . . . . . . . . 5782 1 43 . 1 1 7 7 VAL HG11 H 1 0.983 0.02 . 2 . . . . . . . . . 5782 1 44 . 1 1 7 7 VAL HG12 H 1 0.983 0.02 . 2 . . . . . . . . . 5782 1 45 . 1 1 7 7 VAL HG13 H 1 0.983 0.02 . 2 . . . . . . . . . 5782 1 46 . 1 1 7 7 VAL HG21 H 1 0.925 0.02 . 2 . . . . . . . . . 5782 1 47 . 1 1 7 7 VAL HG22 H 1 0.925 0.02 . 2 . . . . . . . . . 5782 1 48 . 1 1 7 7 VAL HG23 H 1 0.925 0.02 . 2 . . . . . . . . . 5782 1 49 . 1 1 8 8 TYR H H 1 8.468 0.02 . 1 . . . . . . . . . 5782 1 50 . 1 1 8 8 TYR HA H 1 5.320 0.02 . 1 . . . . . . . . . 5782 1 51 . 1 1 8 8 TYR HB2 H 1 3.413 0.02 . 2 . . . . . . . . . 5782 1 52 . 1 1 8 8 TYR HB3 H 1 3.183 0.02 . 2 . . . . . . . . . 5782 1 53 . 1 1 8 8 TYR HD1 H 1 6.818 0.02 . 1 . . . . . . . . . 5782 1 54 . 1 1 8 8 TYR HE1 H 1 6.566 0.02 . 1 . . . . . . . . . 5782 1 55 . 1 1 9 9 SER H H 1 9.327 0.02 . 1 . . . . . . . . . 5782 1 56 . 1 1 9 9 SER HA H 1 5.299 0.02 . 1 . . . . . . . . . 5782 1 57 . 1 1 9 9 SER HB2 H 1 4.426 0.02 . 2 . . . . . . . . . 5782 1 58 . 1 1 9 9 SER HB3 H 1 3.675 0.02 . 2 . . . . . . . . . 5782 1 59 . 1 1 10 10 ARG H H 1 8.855 0.02 . 1 . . . . . . . . . 5782 1 60 . 1 1 10 10 ARG HA H 1 3.940 0.02 . 1 . . . . . . . . . 5782 1 61 . 1 1 10 10 ARG HB2 H 1 1.941 0.02 . 2 . . . . . . . . . 5782 1 62 . 1 1 10 10 ARG HB3 H 1 1.754 0.02 . 2 . . . . . . . . . 5782 1 63 . 1 1 10 10 ARG HD2 H 1 3.065 0.02 . 2 . . . . . . . . . 5782 1 64 . 1 1 10 10 ARG HD3 H 1 2.797 0.02 . 2 . . . . . . . . . 5782 1 65 . 1 1 10 10 ARG HG2 H 1 1.432 0.02 . 1 . . . . . . . . . 5782 1 66 . 1 1 11 11 HIS H H 1 8.326 0.02 . 1 . . . . . . . . . 5782 1 67 . 1 1 11 11 HIS HA H 1 5.344 0.02 . 1 . . . . . . . . . 5782 1 68 . 1 1 11 11 HIS HB2 H 1 3.262 0.02 . 2 . . . . . . . . . 5782 1 69 . 1 1 11 11 HIS HB3 H 1 2.921 0.02 . 2 . . . . . . . . . 5782 1 70 . 1 1 11 11 HIS HD2 H 1 7.090 0.02 . 1 . . . . . . . . . 5782 1 71 . 1 1 11 11 HIS HE1 H 1 7.879 0.02 . 1 . . . . . . . . . 5782 1 72 . 1 1 12 12 PRO HA H 1 4.534 0.02 . 1 . . . . . . . . . 5782 1 73 . 1 1 12 12 PRO HB2 H 1 2.438 0.02 . 2 . . . . . . . . . 5782 1 74 . 1 1 12 12 PRO HB3 H 1 1.954 0.02 . 2 . . . . . . . . . 5782 1 75 . 1 1 12 12 PRO HD2 H 1 4.064 0.02 . 2 . . . . . . . . . 5782 1 76 . 1 1 12 12 PRO HD3 H 1 3.797 0.02 . 2 . . . . . . . . . 5782 1 77 . 1 1 12 12 PRO HG2 H 1 2.232 0.02 . 2 . . . . . . . . . 5782 1 78 . 1 1 12 12 PRO HG3 H 1 2.079 0.02 . 2 . . . . . . . . . 5782 1 79 . 1 1 13 13 ALA H H 1 8.979 0.02 . 1 . . . . . . . . . 5782 1 80 . 1 1 13 13 ALA HA H 1 4.113 0.02 . 1 . . . . . . . . . 5782 1 81 . 1 1 13 13 ALA HB1 H 1 1.699 0.02 . 1 . . . . . . . . . 5782 1 82 . 1 1 13 13 ALA HB2 H 1 1.699 0.02 . 1 . . . . . . . . . 5782 1 83 . 1 1 13 13 ALA HB3 H 1 1.699 0.02 . 1 . . . . . . . . . 5782 1 84 . 1 1 14 14 GLU H H 1 8.845 0.02 . 1 . . . . . . . . . 5782 1 85 . 1 1 14 14 GLU HA H 1 4.414 0.02 . 1 . . . . . . . . . 5782 1 86 . 1 1 14 14 GLU HB2 H 1 1.871 0.02 . 1 . . . . . . . . . 5782 1 87 . 1 1 14 14 GLU HG2 H 1 2.167 0.02 . 1 . . . . . . . . . 5782 1 88 . 1 1 15 15 ASN HA H 1 4.505 0.02 . 1 . . . . . . . . . 5782 1 89 . 1 1 15 15 ASN HB2 H 1 2.787 0.02 . 2 . . . . . . . . . 5782 1 90 . 1 1 15 15 ASN HB3 H 1 2.697 0.02 . 2 . . . . . . . . . 5782 1 91 . 1 1 15 15 ASN HD21 H 1 7.539 0.02 . 2 . . . . . . . . . 5782 1 92 . 1 1 15 15 ASN HD22 H 1 7.099 0.02 . 2 . . . . . . . . . 5782 1 93 . 1 1 16 16 GLY H H 1 8.834 0.02 . 1 . . . . . . . . . 5782 1 94 . 1 1 16 16 GLY HA2 H 1 4.198 0.02 . 2 . . . . . . . . . 5782 1 95 . 1 1 16 16 GLY HA3 H 1 3.536 0.02 . 2 . . . . . . . . . 5782 1 96 . 1 1 17 17 LYS H H 1 7.834 0.02 . 1 . . . . . . . . . 5782 1 97 . 1 1 17 17 LYS HA H 1 4.674 0.02 . 1 . . . . . . . . . 5782 1 98 . 1 1 17 17 LYS HB2 H 1 1.835 0.02 . 2 . . . . . . . . . 5782 1 99 . 1 1 17 17 LYS HB3 H 1 1.762 0.02 . 2 . . . . . . . . . 5782 1 100 . 1 1 17 17 LYS HD2 H 1 1.655 0.02 . 2 . . . . . . . . . 5782 1 101 . 1 1 17 17 LYS HD3 H 1 1.598 0.02 . 2 . . . . . . . . . 5782 1 102 . 1 1 17 17 LYS HE2 H 1 2.954 0.02 . 1 . . . . . . . . . 5782 1 103 . 1 1 17 17 LYS HG2 H 1 1.386 0.02 . 2 . . . . . . . . . 5782 1 104 . 1 1 17 17 LYS HG3 H 1 1.311 0.02 . 2 . . . . . . . . . 5782 1 105 . 1 1 18 18 SER H H 1 8.338 0.02 . 1 . . . . . . . . . 5782 1 106 . 1 1 18 18 SER HA H 1 4.268 0.02 . 1 . . . . . . . . . 5782 1 107 . 1 1 18 18 SER HB2 H 1 3.748 0.02 . 1 . . . . . . . . . 5782 1 108 . 1 1 19 19 ASN H H 1 8.887 0.02 . 1 . . . . . . . . . 5782 1 109 . 1 1 19 19 ASN HA H 1 4.878 0.02 . 1 . . . . . . . . . 5782 1 110 . 1 1 19 19 ASN HB2 H 1 2.765 0.02 . 2 . . . . . . . . . 5782 1 111 . 1 1 19 19 ASN HB3 H 1 2.555 0.02 . 2 . . . . . . . . . 5782 1 112 . 1 1 19 19 ASN HD21 H 1 7.765 0.02 . 2 . . . . . . . . . 5782 1 113 . 1 1 19 19 ASN HD22 H 1 7.445 0.02 . 2 . . . . . . . . . 5782 1 114 . 1 1 20 20 PHE H H 1 10.321 0.02 . 1 . . . . . . . . . 5782 1 115 . 1 1 20 20 PHE HA H 1 5.439 0.02 . 1 . . . . . . . . . 5782 1 116 . 1 1 20 20 PHE HB2 H 1 2.683 0.02 . 2 . . . . . . . . . 5782 1 117 . 1 1 20 20 PHE HB3 H 1 2.629 0.02 . 2 . . . . . . . . . 5782 1 118 . 1 1 20 20 PHE HD1 H 1 7.017 0.02 . 1 . . . . . . . . . 5782 1 119 . 1 1 20 20 PHE HE1 H 1 7.411 0.02 . 1 . . . . . . . . . 5782 1 120 . 1 1 20 20 PHE HZ H 1 7.340 0.02 . 1 . . . . . . . . . 5782 1 121 . 1 1 21 21 LEU H H 1 8.971 0.02 . 1 . . . . . . . . . 5782 1 122 . 1 1 21 21 LEU HA H 1 3.699 0.02 . 1 . . . . . . . . . 5782 1 123 . 1 1 21 21 LEU HB2 H 1 0.823 0.02 . 2 . . . . . . . . . 5782 1 124 . 1 1 21 21 LEU HB3 H 1 0.811 0.02 . 2 . . . . . . . . . 5782 1 125 . 1 1 21 21 LEU HD11 H 1 0.016 0.02 . 2 . . . . . . . . . 5782 1 126 . 1 1 21 21 LEU HD12 H 1 0.016 0.02 . 2 . . . . . . . . . 5782 1 127 . 1 1 21 21 LEU HD13 H 1 0.016 0.02 . 2 . . . . . . . . . 5782 1 128 . 1 1 21 21 LEU HD21 H 1 0.565 0.02 . 2 . . . . . . . . . 5782 1 129 . 1 1 21 21 LEU HD22 H 1 0.565 0.02 . 2 . . . . . . . . . 5782 1 130 . 1 1 21 21 LEU HD23 H 1 0.565 0.02 . 2 . . . . . . . . . 5782 1 131 . 1 1 21 21 LEU HG H 1 0.672 0.02 . 1 . . . . . . . . . 5782 1 132 . 1 1 22 22 ASN H H 1 8.200 0.02 . 1 . . . . . . . . . 5782 1 133 . 1 1 22 22 ASN HA H 1 5.388 0.02 . 1 . . . . . . . . . 5782 1 134 . 1 1 22 22 ASN HB2 H 1 1.854 0.02 . 2 . . . . . . . . . 5782 1 135 . 1 1 22 22 ASN HB3 H 1 1.470 0.02 . 2 . . . . . . . . . 5782 1 136 . 1 1 22 22 ASN HD21 H 1 5.730 0.02 . 2 . . . . . . . . . 5782 1 137 . 1 1 22 22 ASN HD22 H 1 5.560 0.02 . 2 . . . . . . . . . 5782 1 138 . 1 1 23 23 CYS H H 1 9.630 0.02 . 1 . . . . . . . . . 5782 1 139 . 1 1 23 23 CYS HA H 1 5.185 0.02 . 1 . . . . . . . . . 5782 1 140 . 1 1 23 23 CYS HB2 H 1 3.282 0.02 . 2 . . . . . . . . . 5782 1 141 . 1 1 23 23 CYS HB3 H 1 2.555 0.02 . 2 . . . . . . . . . 5782 1 142 . 1 1 24 24 TYR H H 1 9.669 0.02 . 1 . . . . . . . . . 5782 1 143 . 1 1 24 24 TYR HA H 1 5.425 0.02 . 1 . . . . . . . . . 5782 1 144 . 1 1 24 24 TYR HB2 H 1 3.187 0.02 . 1 . . . . . . . . . 5782 1 145 . 1 1 24 24 TYR HD1 H 1 7.153 0.02 . 1 . . . . . . . . . 5782 1 146 . 1 1 24 24 TYR HE1 H 1 6.577 0.02 . 1 . . . . . . . . . 5782 1 147 . 1 1 25 25 VAL H H 1 8.803 0.02 . 1 . . . . . . . . . 5782 1 148 . 1 1 25 25 VAL HA H 1 5.204 0.02 . 1 . . . . . . . . . 5782 1 149 . 1 1 25 25 VAL HB H 1 1.914 0.02 . 1 . . . . . . . . . 5782 1 150 . 1 1 25 25 VAL HG11 H 1 0.904 0.02 . 2 . . . . . . . . . 5782 1 151 . 1 1 25 25 VAL HG12 H 1 0.904 0.02 . 2 . . . . . . . . . 5782 1 152 . 1 1 25 25 VAL HG13 H 1 0.904 0.02 . 2 . . . . . . . . . 5782 1 153 . 1 1 25 25 VAL HG21 H 1 0.793 0.02 . 2 . . . . . . . . . 5782 1 154 . 1 1 25 25 VAL HG22 H 1 0.793 0.02 . 2 . . . . . . . . . 5782 1 155 . 1 1 25 25 VAL HG23 H 1 0.793 0.02 . 2 . . . . . . . . . 5782 1 156 . 1 1 26 26 SER H H 1 8.959 0.02 . 1 . . . . . . . . . 5782 1 157 . 1 1 26 26 SER HA H 1 5.718 0.02 . 1 . . . . . . . . . 5782 1 158 . 1 1 26 26 SER HB2 H 1 3.859 0.02 . 2 . . . . . . . . . 5782 1 159 . 1 1 26 26 SER HB3 H 1 3.472 0.02 . 2 . . . . . . . . . 5782 1 160 . 1 1 27 27 GLY H H 1 8.362 0.02 . 1 . . . . . . . . . 5782 1 161 . 1 1 27 27 GLY HA2 H 1 4.112 0.02 . 2 . . . . . . . . . 5782 1 162 . 1 1 27 27 GLY HA3 H 1 3.887 0.02 . 2 . . . . . . . . . 5782 1 163 . 1 1 28 28 PHE H H 1 7.170 0.02 . 1 . . . . . . . . . 5782 1 164 . 1 1 28 28 PHE HA H 1 4.971 0.02 . 1 . . . . . . . . . 5782 1 165 . 1 1 28 28 PHE HB2 H 1 2.269 0.02 . 2 . . . . . . . . . 5782 1 166 . 1 1 28 28 PHE HB3 H 1 1.962 0.02 . 2 . . . . . . . . . 5782 1 167 . 1 1 28 28 PHE HD1 H 1 6.961 0.02 . 1 . . . . . . . . . 5782 1 168 . 1 1 28 28 PHE HE1 H 1 7.248 0.02 . 1 . . . . . . . . . 5782 1 169 . 1 1 28 28 PHE HZ H 1 6.861 0.02 . 1 . . . . . . . . . 5782 1 170 . 1 1 29 29 HIS H H 1 8.262 0.02 . 1 . . . . . . . . . 5782 1 171 . 1 1 29 29 HIS HA H 1 4.528 0.02 . 1 . . . . . . . . . 5782 1 172 . 1 1 29 29 HIS HB2 H 1 3.314 0.02 . 2 . . . . . . . . . 5782 1 173 . 1 1 29 29 HIS HB3 H 1 3.114 0.02 . 2 . . . . . . . . . 5782 1 174 . 1 1 29 29 HIS HD2 H 1 7.074 0.02 . 1 . . . . . . . . . 5782 1 175 . 1 1 29 29 HIS HE1 H 1 7.849 0.02 . 1 . . . . . . . . . 5782 1 176 . 1 1 30 30 PRO HA H 1 3.962 0.02 . 1 . . . . . . . . . 5782 1 177 . 1 1 30 30 PRO HB2 H 1 2.248 0.02 . 2 . . . . . . . . . 5782 1 178 . 1 1 30 30 PRO HB3 H 1 2.013 0.02 . 2 . . . . . . . . . 5782 1 179 . 1 1 30 30 PRO HD2 H 1 3.744 0.02 . 2 . . . . . . . . . 5782 1 180 . 1 1 30 30 PRO HD3 H 1 3.644 0.02 . 2 . . . . . . . . . 5782 1 181 . 1 1 30 30 PRO HG2 H 1 1.817 0.02 . 1 . . . . . . . . . 5782 1 182 . 1 1 31 31 SER H H 1 8.262 0.02 . 1 . . . . . . . . . 5782 1 183 . 1 1 31 31 SER HA H 1 3.621 0.02 . 1 . . . . . . . . . 5782 1 184 . 1 1 31 31 SER HB2 H 1 3.314 0.02 . 2 . . . . . . . . . 5782 1 185 . 1 1 31 31 SER HB3 H 1 1.895 0.02 . 2 . . . . . . . . . 5782 1 186 . 1 1 32 32 ASP H H 1 7.211 0.02 . 1 . . . . . . . . . 5782 1 187 . 1 1 32 32 ASP HA H 1 4.428 0.02 . 1 . . . . . . . . . 5782 1 188 . 1 1 32 32 ASP HB2 H 1 2.414 0.02 . 2 . . . . . . . . . 5782 1 189 . 1 1 32 32 ASP HB3 H 1 2.351 0.02 . 2 . . . . . . . . . 5782 1 190 . 1 1 33 33 ILE H H 1 7.956 0.02 . 1 . . . . . . . . . 5782 1 191 . 1 1 33 33 ILE HA H 1 4.512 0.02 . 1 . . . . . . . . . 5782 1 192 . 1 1 33 33 ILE HB H 1 1.406 0.02 . 1 . . . . . . . . . 5782 1 193 . 1 1 33 33 ILE HD11 H 1 0.444 0.02 . 1 . . . . . . . . . 5782 1 194 . 1 1 33 33 ILE HD12 H 1 0.444 0.02 . 1 . . . . . . . . . 5782 1 195 . 1 1 33 33 ILE HD13 H 1 0.444 0.02 . 1 . . . . . . . . . 5782 1 196 . 1 1 33 33 ILE HG12 H 1 1.462 0.02 . 2 . . . . . . . . . 5782 1 197 . 1 1 33 33 ILE HG13 H 1 0.694 0.02 . 2 . . . . . . . . . 5782 1 198 . 1 1 33 33 ILE HG21 H 1 0.571 0.02 . 1 . . . . . . . . . 5782 1 199 . 1 1 33 33 ILE HG22 H 1 0.571 0.02 . 1 . . . . . . . . . 5782 1 200 . 1 1 33 33 ILE HG23 H 1 0.571 0.02 . 1 . . . . . . . . . 5782 1 201 . 1 1 34 34 GLU H H 1 7.963 0.02 . 1 . . . . . . . . . 5782 1 202 . 1 1 34 34 GLU HA H 1 4.588 0.02 . 1 . . . . . . . . . 5782 1 203 . 1 1 34 34 GLU HB2 H 1 1.939 0.02 . 2 . . . . . . . . . 5782 1 204 . 1 1 34 34 GLU HB3 H 1 1.785 0.02 . 2 . . . . . . . . . 5782 1 205 . 1 1 34 34 GLU HG2 H 1 2.111 0.02 . 2 . . . . . . . . . 5782 1 206 . 1 1 34 34 GLU HG3 H 1 2.077 0.02 . 2 . . . . . . . . . 5782 1 207 . 1 1 35 35 VAL H H 1 7.929 0.02 . 1 . . . . . . . . . 5782 1 208 . 1 1 35 35 VAL HA H 1 4.674 0.02 . 1 . . . . . . . . . 5782 1 209 . 1 1 35 35 VAL HB H 1 0.450 0.02 . 1 . . . . . . . . . 5782 1 210 . 1 1 35 35 VAL HG11 H 1 0.490 0.02 . 2 . . . . . . . . . 5782 1 211 . 1 1 35 35 VAL HG12 H 1 0.490 0.02 . 2 . . . . . . . . . 5782 1 212 . 1 1 35 35 VAL HG13 H 1 0.490 0.02 . 2 . . . . . . . . . 5782 1 213 . 1 1 35 35 VAL HG21 H 1 0.249 0.02 . 2 . . . . . . . . . 5782 1 214 . 1 1 35 35 VAL HG22 H 1 0.249 0.02 . 2 . . . . . . . . . 5782 1 215 . 1 1 35 35 VAL HG23 H 1 0.249 0.02 . 2 . . . . . . . . . 5782 1 216 . 1 1 36 36 ASP H H 1 8.866 0.02 . 1 . . . . . . . . . 5782 1 217 . 1 1 36 36 ASP HA H 1 4.947 0.02 . 1 . . . . . . . . . 5782 1 218 . 1 1 36 36 ASP HB2 H 1 2.404 0.02 . 2 . . . . . . . . . 5782 1 219 . 1 1 36 36 ASP HB3 H 1 2.206 0.02 . 2 . . . . . . . . . 5782 1 220 . 1 1 37 37 LEU H H 1 9.027 0.02 . 1 . . . . . . . . . 5782 1 221 . 1 1 37 37 LEU HA H 1 5.013 0.02 . 1 . . . . . . . . . 5782 1 222 . 1 1 37 37 LEU HB2 H 1 1.635 0.02 . 2 . . . . . . . . . 5782 1 223 . 1 1 37 37 LEU HB3 H 1 1.239 0.02 . 2 . . . . . . . . . 5782 1 224 . 1 1 37 37 LEU HD11 H 1 0.748 0.02 . 1 . . . . . . . . . 5782 1 225 . 1 1 37 37 LEU HD12 H 1 0.748 0.02 . 1 . . . . . . . . . 5782 1 226 . 1 1 37 37 LEU HD13 H 1 0.748 0.02 . 1 . . . . . . . . . 5782 1 227 . 1 1 37 37 LEU HG H 1 1.597 0.02 . 1 . . . . . . . . . 5782 1 228 . 1 1 38 38 LEU H H 1 8.969 0.02 . 1 . . . . . . . . . 5782 1 229 . 1 1 38 38 LEU HA H 1 5.006 0.02 . 1 . . . . . . . . . 5782 1 230 . 1 1 38 38 LEU HB2 H 1 1.577 0.02 . 2 . . . . . . . . . 5782 1 231 . 1 1 38 38 LEU HB3 H 1 0.829 0.02 . 2 . . . . . . . . . 5782 1 232 . 1 1 38 38 LEU HD11 H 1 0.602 0.02 . 2 . . . . . . . . . 5782 1 233 . 1 1 38 38 LEU HD12 H 1 0.602 0.02 . 2 . . . . . . . . . 5782 1 234 . 1 1 38 38 LEU HD13 H 1 0.602 0.02 . 2 . . . . . . . . . 5782 1 235 . 1 1 38 38 LEU HD21 H 1 0.406 0.02 . 2 . . . . . . . . . 5782 1 236 . 1 1 38 38 LEU HD22 H 1 0.406 0.02 . 2 . . . . . . . . . 5782 1 237 . 1 1 38 38 LEU HD23 H 1 0.406 0.02 . 2 . . . . . . . . . 5782 1 238 . 1 1 38 38 LEU HG H 1 1.207 0.02 . 1 . . . . . . . . . 5782 1 239 . 1 1 39 39 LYS H H 1 8.845 0.02 . 1 . . . . . . . . . 5782 1 240 . 1 1 39 39 LYS HA H 1 4.414 0.02 . 1 . . . . . . . . . 5782 1 241 . 1 1 39 39 LYS HB2 H 1 1.752 0.02 . 2 . . . . . . . . . 5782 1 242 . 1 1 39 39 LYS HB3 H 1 1.457 0.02 . 2 . . . . . . . . . 5782 1 243 . 1 1 39 39 LYS HD2 H 1 1.774 0.02 . 2 . . . . . . . . . 5782 1 244 . 1 1 39 39 LYS HD3 H 1 1.578 0.02 . 2 . . . . . . . . . 5782 1 245 . 1 1 39 39 LYS HE2 H 1 2.845 0.02 . 1 . . . . . . . . . 5782 1 246 . 1 1 39 39 LYS HG2 H 1 0.555 0.02 . 2 . . . . . . . . . 5782 1 247 . 1 1 39 39 LYS HG3 H 1 0.831 0.02 . 2 . . . . . . . . . 5782 1 248 . 1 1 40 40 ASN H H 1 9.731 0.02 . 1 . . . . . . . . . 5782 1 249 . 1 1 40 40 ASN HA H 1 4.363 0.02 . 1 . . . . . . . . . 5782 1 250 . 1 1 40 40 ASN HB2 H 1 2.859 0.02 . 2 . . . . . . . . . 5782 1 251 . 1 1 40 40 ASN HB3 H 1 2.909 0.02 . 2 . . . . . . . . . 5782 1 252 . 1 1 40 40 ASN HD21 H 1 7.980 0.02 . 2 . . . . . . . . . 5782 1 253 . 1 1 40 40 ASN HD22 H 1 7.730 0.02 . 2 . . . . . . . . . 5782 1 254 . 1 1 41 41 GLY H H 1 8.791 0.02 . 1 . . . . . . . . . 5782 1 255 . 1 1 41 41 GLY HA2 H 1 4.198 0.02 . 2 . . . . . . . . . 5782 1 256 . 1 1 41 41 GLY HA3 H 1 3.333 0.02 . 2 . . . . . . . . . 5782 1 257 . 1 1 42 42 GLU H H 1 7.832 0.02 . 1 . . . . . . . . . 5782 1 258 . 1 1 42 42 GLU HA H 1 4.582 0.02 . 1 . . . . . . . . . 5782 1 259 . 1 1 42 42 GLU HB2 H 1 2.060 0.02 . 2 . . . . . . . . . 5782 1 260 . 1 1 42 42 GLU HB3 H 1 1.963 0.02 . 2 . . . . . . . . . 5782 1 261 . 1 1 42 42 GLU HG2 H 1 2.287 0.02 . 2 . . . . . . . . . 5782 1 262 . 1 1 42 42 GLU HG3 H 1 2.177 0.02 . 2 . . . . . . . . . 5782 1 263 . 1 1 43 43 ARG H H 1 8.651 0.02 . 1 . . . . . . . . . 5782 1 264 . 1 1 43 43 ARG HA H 1 4.181 0.02 . 1 . . . . . . . . . 5782 1 265 . 1 1 43 43 ARG HB2 H 1 1.639 0.02 . 1 . . . . . . . . . 5782 1 266 . 1 1 43 43 ARG HD2 H 1 3.139 0.02 . 2 . . . . . . . . . 5782 1 267 . 1 1 43 43 ARG HD3 H 1 3.083 0.02 . 2 . . . . . . . . . 5782 1 268 . 1 1 43 43 ARG HG2 H 1 1.544 0.02 . 2 . . . . . . . . . 5782 1 269 . 1 1 43 43 ARG HG3 H 1 1.345 0.02 . 2 . . . . . . . . . 5782 1 270 . 1 1 44 44 ILE H H 1 8.793 0.02 . 1 . . . . . . . . . 5782 1 271 . 1 1 44 44 ILE HA H 1 4.000 0.02 . 1 . . . . . . . . . 5782 1 272 . 1 1 44 44 ILE HB H 1 1.547 0.02 . 1 . . . . . . . . . 5782 1 273 . 1 1 44 44 ILE HD11 H 1 0.903 0.02 . 1 . . . . . . . . . 5782 1 274 . 1 1 44 44 ILE HD12 H 1 0.903 0.02 . 1 . . . . . . . . . 5782 1 275 . 1 1 44 44 ILE HD13 H 1 0.903 0.02 . 1 . . . . . . . . . 5782 1 276 . 1 1 44 44 ILE HG12 H 1 1.702 0.02 . 2 . . . . . . . . . 5782 1 277 . 1 1 44 44 ILE HG13 H 1 1.038 0.02 . 2 . . . . . . . . . 5782 1 278 . 1 1 44 44 ILE HG21 H 1 0.983 0.02 . 1 . . . . . . . . . 5782 1 279 . 1 1 44 44 ILE HG22 H 1 0.983 0.02 . 1 . . . . . . . . . 5782 1 280 . 1 1 44 44 ILE HG23 H 1 0.983 0.02 . 1 . . . . . . . . . 5782 1 281 . 1 1 45 45 GLU H H 1 8.491 0.02 . 1 . . . . . . . . . 5782 1 282 . 1 1 45 45 GLU HA H 1 4.181 0.02 . 1 . . . . . . . . . 5782 1 283 . 1 1 45 45 GLU HB2 H 1 2.109 0.02 . 2 . . . . . . . . . 5782 1 284 . 1 1 45 45 GLU HB3 H 1 2.031 0.02 . 2 . . . . . . . . . 5782 1 285 . 1 1 45 45 GLU HG2 H 1 2.374 0.02 . 2 . . . . . . . . . 5782 1 286 . 1 1 45 45 GLU HG3 H 1 2.251 0.02 . 2 . . . . . . . . . 5782 1 287 . 1 1 46 46 LYS H H 1 7.923 0.02 . 1 . . . . . . . . . 5782 1 288 . 1 1 46 46 LYS HA H 1 4.512 0.02 . 1 . . . . . . . . . 5782 1 289 . 1 1 46 46 LYS HB2 H 1 1.943 0.02 . 2 . . . . . . . . . 5782 1 290 . 1 1 46 46 LYS HB3 H 1 1.785 0.02 . 2 . . . . . . . . . 5782 1 291 . 1 1 46 46 LYS HE2 H 1 3.040 0.02 . 1 . . . . . . . . . 5782 1 292 . 1 1 46 46 LYS HG2 H 1 1.445 0.02 . 2 . . . . . . . . . 5782 1 293 . 1 1 46 46 LYS HG3 H 1 1.407 0.02 . 2 . . . . . . . . . 5782 1 294 . 1 1 47 47 VAL H H 1 7.829 0.02 . 1 . . . . . . . . . 5782 1 295 . 1 1 47 47 VAL HA H 1 4.398 0.02 . 1 . . . . . . . . . 5782 1 296 . 1 1 47 47 VAL HB H 1 2.115 0.02 . 1 . . . . . . . . . 5782 1 297 . 1 1 47 47 VAL HG11 H 1 1.099 0.02 . 2 . . . . . . . . . 5782 1 298 . 1 1 47 47 VAL HG12 H 1 1.099 0.02 . 2 . . . . . . . . . 5782 1 299 . 1 1 47 47 VAL HG13 H 1 1.099 0.02 . 2 . . . . . . . . . 5782 1 300 . 1 1 47 47 VAL HG21 H 1 1.028 0.02 . 2 . . . . . . . . . 5782 1 301 . 1 1 47 47 VAL HG22 H 1 1.028 0.02 . 2 . . . . . . . . . 5782 1 302 . 1 1 47 47 VAL HG23 H 1 1.028 0.02 . 2 . . . . . . . . . 5782 1 303 . 1 1 48 48 GLU H H 1 8.441 0.02 . 1 . . . . . . . . . 5782 1 304 . 1 1 48 48 GLU HA H 1 4.492 0.02 . 1 . . . . . . . . . 5782 1 305 . 1 1 48 48 GLU HB2 H 1 1.589 0.02 . 2 . . . . . . . . . 5782 1 306 . 1 1 48 48 GLU HB3 H 1 0.755 0.02 . 2 . . . . . . . . . 5782 1 307 . 1 1 48 48 GLU HG2 H 1 2.075 0.02 . 1 . . . . . . . . . 5782 1 308 . 1 1 49 49 HIS H H 1 8.126 0.02 . 1 . . . . . . . . . 5782 1 309 . 1 1 49 49 HIS HA H 1 5.494 0.02 . 1 . . . . . . . . . 5782 1 310 . 1 1 49 49 HIS HB2 H 1 2.462 0.02 . 2 . . . . . . . . . 5782 1 311 . 1 1 49 49 HIS HB3 H 1 1.985 0.02 . 2 . . . . . . . . . 5782 1 312 . 1 1 49 49 HIS HD2 H 1 7.017 0.02 . 1 . . . . . . . . . 5782 1 313 . 1 1 49 49 HIS HE1 H 1 8.503 0.02 . 1 . . . . . . . . . 5782 1 314 . 1 1 50 50 SER H H 1 9.114 0.02 . 1 . . . . . . . . . 5782 1 315 . 1 1 50 50 SER HA H 1 4.662 0.02 . 1 . . . . . . . . . 5782 1 316 . 1 1 50 50 SER HB2 H 1 4.469 0.02 . 2 . . . . . . . . . 5782 1 317 . 1 1 50 50 SER HB3 H 1 4.099 0.02 . 2 . . . . . . . . . 5782 1 318 . 1 1 51 51 ASP HA H 1 4.808 0.02 . 1 . . . . . . . . . 5782 1 319 . 1 1 51 51 ASP HB2 H 1 2.754 0.02 . 2 . . . . . . . . . 5782 1 320 . 1 1 51 51 ASP HB3 H 1 2.579 0.02 . 2 . . . . . . . . . 5782 1 321 . 1 1 52 52 LEU HA H 1 4.318 0.02 . 1 . . . . . . . . . 5782 1 322 . 1 1 52 52 LEU HB2 H 1 1.809 0.02 . 1 . . . . . . . . . 5782 1 323 . 1 1 52 52 LEU HD11 H 1 1.054 0.02 . 2 . . . . . . . . . 5782 1 324 . 1 1 52 52 LEU HD12 H 1 1.054 0.02 . 2 . . . . . . . . . 5782 1 325 . 1 1 52 52 LEU HD13 H 1 1.054 0.02 . 2 . . . . . . . . . 5782 1 326 . 1 1 52 52 LEU HD21 H 1 0.871 0.02 . 2 . . . . . . . . . 5782 1 327 . 1 1 52 52 LEU HD22 H 1 0.871 0.02 . 2 . . . . . . . . . 5782 1 328 . 1 1 52 52 LEU HD23 H 1 0.871 0.02 . 2 . . . . . . . . . 5782 1 329 . 1 1 52 52 LEU HG H 1 1.659 0.02 . 1 . . . . . . . . . 5782 1 330 . 1 1 53 53 SER H H 1 8.033 0.02 . 1 . . . . . . . . . 5782 1 331 . 1 1 53 53 SER HA H 1 4.767 0.02 . 1 . . . . . . . . . 5782 1 332 . 1 1 53 53 SER HB2 H 1 3.421 0.02 . 2 . . . . . . . . . 5782 1 333 . 1 1 53 53 SER HB3 H 1 2.741 0.02 . 2 . . . . . . . . . 5782 1 334 . 1 1 54 54 PHE H H 1 8.158 0.02 . 1 . . . . . . . . . 5782 1 335 . 1 1 54 54 PHE HA H 1 5.047 0.02 . 1 . . . . . . . . . 5782 1 336 . 1 1 54 54 PHE HB2 H 1 2.680 0.02 . 1 . . . . . . . . . 5782 1 337 . 1 1 54 54 PHE HD1 H 1 6.346 0.02 . 1 . . . . . . . . . 5782 1 338 . 1 1 54 54 PHE HE1 H 1 7.004 0.02 . 1 . . . . . . . . . 5782 1 339 . 1 1 54 54 PHE HZ H 1 7.099 0.02 . 1 . . . . . . . . . 5782 1 340 . 1 1 55 55 SER H H 1 8.217 0.02 . 1 . . . . . . . . . 5782 1 341 . 1 1 55 55 SER HA H 1 4.537 0.02 . 1 . . . . . . . . . 5782 1 342 . 1 1 55 55 SER HB2 H 1 3.913 0.02 . 2 . . . . . . . . . 5782 1 343 . 1 1 55 55 SER HB3 H 1 3.653 0.02 . 2 . . . . . . . . . 5782 1 344 . 1 1 56 56 LYS HA H 1 3.828 0.02 . 1 . . . . . . . . . 5782 1 345 . 1 1 56 56 LYS HB2 H 1 1.742 0.02 . 1 . . . . . . . . . 5782 1 346 . 1 1 56 56 LYS HD2 H 1 1.646 0.02 . 1 . . . . . . . . . 5782 1 347 . 1 1 56 56 LYS HE2 H 1 2.978 0.02 . 1 . . . . . . . . . 5782 1 348 . 1 1 56 56 LYS HG2 H 1 1.397 0.02 . 1 . . . . . . . . . 5782 1 349 . 1 1 57 57 ASP H H 1 7.693 0.02 . 1 . . . . . . . . . 5782 1 350 . 1 1 57 57 ASP HA H 1 4.366 0.02 . 1 . . . . . . . . . 5782 1 351 . 1 1 57 57 ASP HB2 H 1 2.278 0.02 . 1 . . . . . . . . . 5782 1 352 . 1 1 58 58 TRP H H 1 7.285 0.02 . 1 . . . . . . . . . 5782 1 353 . 1 1 58 58 TRP HA H 1 4.655 0.02 . 1 . . . . . . . . . 5782 1 354 . 1 1 58 58 TRP HB2 H 1 3.039 0.02 . 2 . . . . . . . . . 5782 1 355 . 1 1 58 58 TRP HB3 H 1 3.180 0.02 . 2 . . . . . . . . . 5782 1 356 . 1 1 58 58 TRP HD1 H 1 6.875 0.02 . 1 . . . . . . . . . 5782 1 357 . 1 1 58 58 TRP HE1 H 1 9.641 0.02 . 1 . . . . . . . . . 5782 1 358 . 1 1 58 58 TRP HE3 H 1 6.968 0.02 . 1 . . . . . . . . . 5782 1 359 . 1 1 58 58 TRP HH2 H 1 7.094 0.02 . 1 . . . . . . . . . 5782 1 360 . 1 1 58 58 TRP HZ2 H 1 7.341 0.02 . 1 . . . . . . . . . 5782 1 361 . 1 1 58 58 TRP HZ3 H 1 6.852 0.02 . 1 . . . . . . . . . 5782 1 362 . 1 1 59 59 SER H H 1 7.601 0.02 . 1 . . . . . . . . . 5782 1 363 . 1 1 59 59 SER HA H 1 3.878 0.02 . 1 . . . . . . . . . 5782 1 364 . 1 1 59 59 SER HB2 H 1 3.776 0.02 . 2 . . . . . . . . . 5782 1 365 . 1 1 59 59 SER HB3 H 1 3.725 0.02 . 2 . . . . . . . . . 5782 1 366 . 1 1 60 60 PHE H H 1 7.708 0.02 . 1 . . . . . . . . . 5782 1 367 . 1 1 60 60 PHE HA H 1 5.252 0.02 . 1 . . . . . . . . . 5782 1 368 . 1 1 60 60 PHE HB2 H 1 2.488 0.02 . 2 . . . . . . . . . 5782 1 369 . 1 1 60 60 PHE HB3 H 1 1.793 0.02 . 2 . . . . . . . . . 5782 1 370 . 1 1 60 60 PHE HD1 H 1 7.396 0.02 . 1 . . . . . . . . . 5782 1 371 . 1 1 60 60 PHE HE1 H 1 7.271 0.02 . 1 . . . . . . . . . 5782 1 372 . 1 1 60 60 PHE HZ H 1 7.138 0.02 . 1 . . . . . . . . . 5782 1 373 . 1 1 61 61 TYR H H 1 8.237 0.02 . 1 . . . . . . . . . 5782 1 374 . 1 1 61 61 TYR HA H 1 5.552 0.02 . 1 . . . . . . . . . 5782 1 375 . 1 1 61 61 TYR HB2 H 1 2.995 0.02 . 2 . . . . . . . . . 5782 1 376 . 1 1 61 61 TYR HB3 H 1 2.817 0.02 . 2 . . . . . . . . . 5782 1 377 . 1 1 61 61 TYR HD1 H 1 6.989 0.02 . 1 . . . . . . . . . 5782 1 378 . 1 1 61 61 TYR HE1 H 1 6.649 0.02 . 1 . . . . . . . . . 5782 1 379 . 1 1 62 62 LEU H H 1 9.093 0.02 . 1 . . . . . . . . . 5782 1 380 . 1 1 62 62 LEU HA H 1 4.637 0.02 . 1 . . . . . . . . . 5782 1 381 . 1 1 62 62 LEU HB2 H 1 1.969 0.02 . 2 . . . . . . . . . 5782 1 382 . 1 1 62 62 LEU HB3 H 1 1.757 0.02 . 2 . . . . . . . . . 5782 1 383 . 1 1 62 62 LEU HD11 H 1 1.007 0.02 . 2 . . . . . . . . . 5782 1 384 . 1 1 62 62 LEU HD12 H 1 1.007 0.02 . 2 . . . . . . . . . 5782 1 385 . 1 1 62 62 LEU HD13 H 1 1.007 0.02 . 2 . . . . . . . . . 5782 1 386 . 1 1 62 62 LEU HD21 H 1 0.967 0.02 . 2 . . . . . . . . . 5782 1 387 . 1 1 62 62 LEU HD22 H 1 0.967 0.02 . 2 . . . . . . . . . 5782 1 388 . 1 1 62 62 LEU HD23 H 1 0.967 0.02 . 2 . . . . . . . . . 5782 1 389 . 1 1 63 63 LEU H H 1 8.128 0.02 . 1 . . . . . . . . . 5782 1 390 . 1 1 63 63 LEU HA H 1 5.480 0.02 . 1 . . . . . . . . . 5782 1 391 . 1 1 63 63 LEU HB2 H 1 1.987 0.02 . 2 . . . . . . . . . 5782 1 392 . 1 1 63 63 LEU HB3 H 1 1.573 0.02 . 2 . . . . . . . . . 5782 1 393 . 1 1 63 63 LEU HD11 H 1 1.033 0.02 . 2 . . . . . . . . . 5782 1 394 . 1 1 63 63 LEU HD12 H 1 1.033 0.02 . 2 . . . . . . . . . 5782 1 395 . 1 1 63 63 LEU HD13 H 1 1.033 0.02 . 2 . . . . . . . . . 5782 1 396 . 1 1 63 63 LEU HD21 H 1 0.840 0.02 . 2 . . . . . . . . . 5782 1 397 . 1 1 63 63 LEU HD22 H 1 0.840 0.02 . 2 . . . . . . . . . 5782 1 398 . 1 1 63 63 LEU HD23 H 1 0.840 0.02 . 2 . . . . . . . . . 5782 1 399 . 1 1 64 64 TYR H H 1 9.137 0.02 . 1 . . . . . . . . . 5782 1 400 . 1 1 64 64 TYR HA H 1 5.353 0.02 . 1 . . . . . . . . . 5782 1 401 . 1 1 64 64 TYR HB2 H 1 3.044 0.02 . 2 . . . . . . . . . 5782 1 402 . 1 1 64 64 TYR HB3 H 1 2.665 0.02 . 2 . . . . . . . . . 5782 1 403 . 1 1 64 64 TYR HD1 H 1 6.993 0.02 . 1 . . . . . . . . . 5782 1 404 . 1 1 64 64 TYR HE1 H 1 6.690 0.02 . 1 . . . . . . . . . 5782 1 405 . 1 1 65 65 TYR H H 1 8.921 0.02 . 1 . . . . . . . . . 5782 1 406 . 1 1 65 65 TYR HA H 1 5.981 0.02 . 1 . . . . . . . . . 5782 1 407 . 1 1 65 65 TYR HB2 H 1 3.223 0.02 . 2 . . . . . . . . . 5782 1 408 . 1 1 65 65 TYR HB3 H 1 2.658 0.02 . 2 . . . . . . . . . 5782 1 409 . 1 1 65 65 TYR HD1 H 1 6.699 0.02 . 1 . . . . . . . . . 5782 1 410 . 1 1 65 65 TYR HE1 H 1 6.547 0.02 . 1 . . . . . . . . . 5782 1 411 . 1 1 66 66 THR H H 1 8.294 0.02 . 1 . . . . . . . . . 5782 1 412 . 1 1 66 66 THR HA H 1 4.869 0.02 . 1 . . . . . . . . . 5782 1 413 . 1 1 66 66 THR HB H 1 4.120 0.02 . 1 . . . . . . . . . 5782 1 414 . 1 1 66 66 THR HG21 H 1 0.959 0.02 . 1 . . . . . . . . . 5782 1 415 . 1 1 66 66 THR HG22 H 1 0.959 0.02 . 1 . . . . . . . . . 5782 1 416 . 1 1 66 66 THR HG23 H 1 0.959 0.02 . 1 . . . . . . . . . 5782 1 417 . 1 1 67 67 GLU H H 1 8.477 0.02 . 1 . . . . . . . . . 5782 1 418 . 1 1 67 67 GLU HA H 1 4.329 0.02 . 1 . . . . . . . . . 5782 1 419 . 1 1 67 67 GLU HB2 H 1 1.838 0.02 . 2 . . . . . . . . . 5782 1 420 . 1 1 67 67 GLU HB3 H 1 1.697 0.02 . 2 . . . . . . . . . 5782 1 421 . 1 1 67 67 GLU HG2 H 1 1.893 0.02 . 1 . . . . . . . . . 5782 1 422 . 1 1 68 68 PHE H H 1 8.750 0.02 . 1 . . . . . . . . . 5782 1 423 . 1 1 68 68 PHE HA H 1 4.845 0.02 . 1 . . . . . . . . . 5782 1 424 . 1 1 68 68 PHE HB2 H 1 2.794 0.02 . 2 . . . . . . . . . 5782 1 425 . 1 1 68 68 PHE HB3 H 1 2.704 0.02 . 2 . . . . . . . . . 5782 1 426 . 1 1 68 68 PHE HD1 H 1 6.208 0.02 . 1 . . . . . . . . . 5782 1 427 . 1 1 68 68 PHE HZ H 1 5.744 0.02 . 1 . . . . . . . . . 5782 1 428 . 1 1 69 69 THR H H 1 8.194 0.02 . 1 . . . . . . . . . 5782 1 429 . 1 1 69 69 THR HA H 1 4.472 0.02 . 1 . . . . . . . . . 5782 1 430 . 1 1 69 69 THR HB H 1 3.881 0.02 . 1 . . . . . . . . . 5782 1 431 . 1 1 69 69 THR HG21 H 1 0.865 0.02 . 1 . . . . . . . . . 5782 1 432 . 1 1 69 69 THR HG22 H 1 0.865 0.02 . 1 . . . . . . . . . 5782 1 433 . 1 1 69 69 THR HG23 H 1 0.865 0.02 . 1 . . . . . . . . . 5782 1 434 . 1 1 70 70 PRO HA H 1 4.579 0.02 . 1 . . . . . . . . . 5782 1 435 . 1 1 70 70 PRO HB2 H 1 2.389 0.02 . 2 . . . . . . . . . 5782 1 436 . 1 1 70 70 PRO HB3 H 1 1.988 0.02 . 2 . . . . . . . . . 5782 1 437 . 1 1 70 70 PRO HD2 H 1 3.977 0.02 . 2 . . . . . . . . . 5782 1 438 . 1 1 70 70 PRO HD3 H 1 2.204 0.02 . 2 . . . . . . . . . 5782 1 439 . 1 1 70 70 PRO HG2 H 1 1.413 0.02 . 1 . . . . . . . . . 5782 1 440 . 1 1 71 71 THR H H 1 8.060 0.02 . 1 . . . . . . . . . 5782 1 441 . 1 1 71 71 THR HA H 1 4.690 0.02 . 1 . . . . . . . . . 5782 1 442 . 1 1 71 71 THR HB H 1 4.538 0.02 . 1 . . . . . . . . . 5782 1 443 . 1 1 71 71 THR HG21 H 1 1.325 0.02 . 1 . . . . . . . . . 5782 1 444 . 1 1 71 71 THR HG22 H 1 1.325 0.02 . 1 . . . . . . . . . 5782 1 445 . 1 1 71 71 THR HG23 H 1 1.325 0.02 . 1 . . . . . . . . . 5782 1 446 . 1 1 72 72 GLU H H 1 9.087 0.02 . 1 . . . . . . . . . 5782 1 447 . 1 1 72 72 GLU HA H 1 4.224 0.02 . 1 . . . . . . . . . 5782 1 448 . 1 1 72 72 GLU HB2 H 1 2.289 0.02 . 2 . . . . . . . . . 5782 1 449 . 1 1 72 72 GLU HB3 H 1 2.079 0.02 . 2 . . . . . . . . . 5782 1 450 . 1 1 72 72 GLU HG2 H 1 2.327 0.02 . 1 . . . . . . . . . 5782 1 451 . 1 1 73 73 LYS H H 1 7.799 0.02 . 1 . . . . . . . . . 5782 1 452 . 1 1 73 73 LYS HA H 1 4.467 0.02 . 1 . . . . . . . . . 5782 1 453 . 1 1 73 73 LYS HB2 H 1 1.873 0.02 . 2 . . . . . . . . . 5782 1 454 . 1 1 73 73 LYS HB3 H 1 1.786 0.02 . 2 . . . . . . . . . 5782 1 455 . 1 1 73 73 LYS HD2 H 1 1.693 0.02 . 1 . . . . . . . . . 5782 1 456 . 1 1 73 73 LYS HE2 H 1 3.000 0.02 . 1 . . . . . . . . . 5782 1 457 . 1 1 73 73 LYS HG2 H 1 1.400 0.02 . 1 . . . . . . . . . 5782 1 458 . 1 1 74 74 ASP H H 1 7.121 0.02 . 1 . . . . . . . . . 5782 1 459 . 1 1 74 74 ASP HA H 1 5.130 0.02 . 1 . . . . . . . . . 5782 1 460 . 1 1 74 74 ASP HB2 H 1 2.818 0.02 . 2 . . . . . . . . . 5782 1 461 . 1 1 74 74 ASP HB3 H 1 2.165 0.02 . 2 . . . . . . . . . 5782 1 462 . 1 1 75 75 GLU H H 1 8.604 0.02 . 1 . . . . . . . . . 5782 1 463 . 1 1 75 75 GLU HA H 1 4.813 0.02 . 1 . . . . . . . . . 5782 1 464 . 1 1 75 75 GLU HB2 H 1 2.109 0.02 . 2 . . . . . . . . . 5782 1 465 . 1 1 75 75 GLU HB3 H 1 2.016 0.02 . 2 . . . . . . . . . 5782 1 466 . 1 1 75 75 GLU HG2 H 1 2.378 0.02 . 1 . . . . . . . . . 5782 1 467 . 1 1 76 76 TYR H H 1 9.458 0.02 . 1 . . . . . . . . . 5782 1 468 . 1 1 76 76 TYR HA H 1 5.615 0.02 . 1 . . . . . . . . . 5782 1 469 . 1 1 76 76 TYR HB2 H 1 2.731 0.02 . 2 . . . . . . . . . 5782 1 470 . 1 1 76 76 TYR HB3 H 1 2.834 0.02 . 2 . . . . . . . . . 5782 1 471 . 1 1 76 76 TYR HD1 H 1 7.102 0.02 . 1 . . . . . . . . . 5782 1 472 . 1 1 76 76 TYR HE1 H 1 6.897 0.02 . 1 . . . . . . . . . 5782 1 473 . 1 1 77 77 ALA H H 1 8.790 0.02 . 1 . . . . . . . . . 5782 1 474 . 1 1 77 77 ALA HA H 1 5.060 0.02 . 1 . . . . . . . . . 5782 1 475 . 1 1 77 77 ALA HB1 H 1 1.211 0.02 . 1 . . . . . . . . . 5782 1 476 . 1 1 77 77 ALA HB2 H 1 1.211 0.02 . 1 . . . . . . . . . 5782 1 477 . 1 1 77 77 ALA HB3 H 1 1.211 0.02 . 1 . . . . . . . . . 5782 1 478 . 1 1 78 78 CYS H H 1 9.109 0.02 . 1 . . . . . . . . . 5782 1 479 . 1 1 78 78 CYS HA H 1 5.123 0.02 . 1 . . . . . . . . . 5782 1 480 . 1 1 78 78 CYS HB2 H 1 3.052 0.02 . 2 . . . . . . . . . 5782 1 481 . 1 1 78 78 CYS HB3 H 1 2.630 0.02 . 2 . . . . . . . . . 5782 1 482 . 1 1 79 79 ARG H H 1 9.400 0.02 . 1 . . . . . . . . . 5782 1 483 . 1 1 79 79 ARG HA H 1 5.390 0.02 . 1 . . . . . . . . . 5782 1 484 . 1 1 79 79 ARG HB2 H 1 1.798 0.02 . 2 . . . . . . . . . 5782 1 485 . 1 1 79 79 ARG HB3 H 1 1.186 0.02 . 2 . . . . . . . . . 5782 1 486 . 1 1 79 79 ARG HD2 H 1 3.081 0.02 . 2 . . . . . . . . . 5782 1 487 . 1 1 79 79 ARG HD3 H 1 2.925 0.02 . 2 . . . . . . . . . 5782 1 488 . 1 1 79 79 ARG HE H 1 7.088 0.02 . 1 . . . . . . . . . 5782 1 489 . 1 1 79 79 ARG HG2 H 1 1.328 0.02 . 2 . . . . . . . . . 5782 1 490 . 1 1 79 79 ARG HG3 H 1 1.235 0.02 . 2 . . . . . . . . . 5782 1 491 . 1 1 80 80 VAL H H 1 9.044 0.02 . 1 . . . . . . . . . 5782 1 492 . 1 1 80 80 VAL HA H 1 4.918 0.02 . 1 . . . . . . . . . 5782 1 493 . 1 1 80 80 VAL HB H 1 1.683 0.02 . 1 . . . . . . . . . 5782 1 494 . 1 1 80 80 VAL HG11 H 1 0.814 0.02 . 2 . . . . . . . . . 5782 1 495 . 1 1 80 80 VAL HG12 H 1 0.814 0.02 . 2 . . . . . . . . . 5782 1 496 . 1 1 80 80 VAL HG13 H 1 0.814 0.02 . 2 . . . . . . . . . 5782 1 497 . 1 1 80 80 VAL HG21 H 1 0.608 0.02 . 2 . . . . . . . . . 5782 1 498 . 1 1 80 80 VAL HG22 H 1 0.608 0.02 . 2 . . . . . . . . . 5782 1 499 . 1 1 80 80 VAL HG23 H 1 0.608 0.02 . 2 . . . . . . . . . 5782 1 500 . 1 1 81 81 ASN H H 1 9.019 0.02 . 1 . . . . . . . . . 5782 1 501 . 1 1 81 81 ASN HA H 1 5.180 0.02 . 1 . . . . . . . . . 5782 1 502 . 1 1 81 81 ASN HB2 H 1 2.826 0.02 . 2 . . . . . . . . . 5782 1 503 . 1 1 81 81 ASN HB3 H 1 2.385 0.02 . 2 . . . . . . . . . 5782 1 504 . 1 1 81 81 ASN HD21 H 1 7.430 0.02 . 2 . . . . . . . . . 5782 1 505 . 1 1 81 81 ASN HD22 H 1 6.649 0.02 . 2 . . . . . . . . . 5782 1 506 . 1 1 82 82 HIS H H 1 7.756 0.02 . 1 . . . . . . . . . 5782 1 507 . 1 1 82 82 HIS HA H 1 4.584 0.02 . 1 . . . . . . . . . 5782 1 508 . 1 1 82 82 HIS HB2 H 1 2.889 0.02 . 2 . . . . . . . . . 5782 1 509 . 1 1 82 82 HIS HB3 H 1 2.451 0.02 . 2 . . . . . . . . . 5782 1 510 . 1 1 82 82 HIS HD2 H 1 7.512 0.02 . 1 . . . . . . . . . 5782 1 511 . 1 1 82 82 HIS HE1 H 1 8.157 0.02 . 1 . . . . . . . . . 5782 1 512 . 1 1 83 83 VAL H H 1 7.920 0.02 . 1 . . . . . . . . . 5782 1 513 . 1 1 83 83 VAL HA H 1 4.020 0.02 . 1 . . . . . . . . . 5782 1 514 . 1 1 83 83 VAL HB H 1 2.017 0.02 . 1 . . . . . . . . . 5782 1 515 . 1 1 83 83 VAL HG11 H 1 0.888 0.02 . 2 . . . . . . . . . 5782 1 516 . 1 1 83 83 VAL HG12 H 1 0.888 0.02 . 2 . . . . . . . . . 5782 1 517 . 1 1 83 83 VAL HG13 H 1 0.888 0.02 . 2 . . . . . . . . . 5782 1 518 . 1 1 83 83 VAL HG21 H 1 0.691 0.02 . 2 . . . . . . . . . 5782 1 519 . 1 1 83 83 VAL HG22 H 1 0.691 0.02 . 2 . . . . . . . . . 5782 1 520 . 1 1 83 83 VAL HG23 H 1 0.691 0.02 . 2 . . . . . . . . . 5782 1 521 . 1 1 84 84 THR H H 1 7.835 0.02 . 1 . . . . . . . . . 5782 1 522 . 1 1 84 84 THR HA H 1 4.257 0.02 . 1 . . . . . . . . . 5782 1 523 . 1 1 84 84 THR HB H 1 4.535 0.02 . 1 . . . . . . . . . 5782 1 524 . 1 1 84 84 THR HG21 H 1 1.596 0.02 . 1 . . . . . . . . . 5782 1 525 . 1 1 84 84 THR HG22 H 1 1.596 0.02 . 1 . . . . . . . . . 5782 1 526 . 1 1 84 84 THR HG23 H 1 1.596 0.02 . 1 . . . . . . . . . 5782 1 527 . 1 1 85 85 LEU H H 1 8.025 0.02 . 1 . . . . . . . . . 5782 1 528 . 1 1 85 85 LEU HA H 1 4.752 0.02 . 1 . . . . . . . . . 5782 1 529 . 1 1 85 85 LEU HB2 H 1 2.068 0.02 . 2 . . . . . . . . . 5782 1 530 . 1 1 85 85 LEU HB3 H 1 1.851 0.02 . 2 . . . . . . . . . 5782 1 531 . 1 1 85 85 LEU HD11 H 1 1.017 0.02 . 1 . . . . . . . . . 5782 1 532 . 1 1 85 85 LEU HD12 H 1 1.017 0.02 . 1 . . . . . . . . . 5782 1 533 . 1 1 85 85 LEU HD13 H 1 1.017 0.02 . 1 . . . . . . . . . 5782 1 534 . 1 1 85 85 LEU HG H 1 1.759 0.02 . 1 . . . . . . . . . 5782 1 535 . 1 1 86 86 SER HA H 1 4.270 0.02 . 1 . . . . . . . . . 5782 1 536 . 1 1 86 86 SER HB2 H 1 4.004 0.02 . 2 . . . . . . . . . 5782 1 537 . 1 1 86 86 SER HB3 H 1 3.969 0.02 . 2 . . . . . . . . . 5782 1 538 . 1 1 87 87 GLN H H 1 7.543 0.02 . 1 . . . . . . . . . 5782 1 539 . 1 1 87 87 GLN HA H 1 4.763 0.02 . 1 . . . . . . . . . 5782 1 540 . 1 1 87 87 GLN HB2 H 1 2.319 0.02 . 2 . . . . . . . . . 5782 1 541 . 1 1 87 87 GLN HB3 H 1 2.175 0.02 . 2 . . . . . . . . . 5782 1 542 . 1 1 87 87 GLN HG2 H 1 2.269 0.02 . 1 . . . . . . . . . 5782 1 543 . 1 1 87 87 GLN HE22 H 1 6.818 0.02 . 2 . . . . . . . . . 5782 1 544 . 1 1 87 87 GLN HE21 H 1 7.492 0.02 . 2 . . . . . . . . . 5782 1 545 . 1 1 88 88 PRO HA H 1 4.475 0.02 . 1 . . . . . . . . . 5782 1 546 . 1 1 88 88 PRO HB2 H 1 1.859 0.02 . 2 . . . . . . . . . 5782 1 547 . 1 1 88 88 PRO HB3 H 1 1.512 0.02 . 2 . . . . . . . . . 5782 1 548 . 1 1 88 88 PRO HD2 H 1 3.745 0.02 . 2 . . . . . . . . . 5782 1 549 . 1 1 88 88 PRO HD3 H 1 3.543 0.02 . 2 . . . . . . . . . 5782 1 550 . 1 1 88 88 PRO HG2 H 1 2.003 0.02 . 2 . . . . . . . . . 5782 1 551 . 1 1 88 88 PRO HG3 H 1 1.783 0.02 . 2 . . . . . . . . . 5782 1 552 . 1 1 89 89 LYS H H 1 8.706 0.02 . 1 . . . . . . . . . 5782 1 553 . 1 1 89 89 LYS HA H 1 4.556 0.02 . 1 . . . . . . . . . 5782 1 554 . 1 1 89 89 LYS HB2 H 1 1.746 0.02 . 2 . . . . . . . . . 5782 1 555 . 1 1 89 89 LYS HB3 H 1 1.663 0.02 . 2 . . . . . . . . . 5782 1 556 . 1 1 89 89 LYS HG2 H 1 1.441 0.02 . 2 . . . . . . . . . 5782 1 557 . 1 1 89 89 LYS HG3 H 1 1.366 0.02 . 2 . . . . . . . . . 5782 1 558 . 1 1 90 90 ILE H H 1 8.482 0.02 . 1 . . . . . . . . . 5782 1 559 . 1 1 90 90 ILE HA H 1 4.819 0.02 . 1 . . . . . . . . . 5782 1 560 . 1 1 90 90 ILE HB H 1 1.705 0.02 . 1 . . . . . . . . . 5782 1 561 . 1 1 90 90 ILE HD11 H 1 0.755 0.02 . 1 . . . . . . . . . 5782 1 562 . 1 1 90 90 ILE HD12 H 1 0.755 0.02 . 1 . . . . . . . . . 5782 1 563 . 1 1 90 90 ILE HD13 H 1 0.755 0.02 . 1 . . . . . . . . . 5782 1 564 . 1 1 90 90 ILE HG12 H 1 1.428 0.02 . 1 . . . . . . . . . 5782 1 565 . 1 1 90 90 ILE HG21 H 1 0.632 0.02 . 1 . . . . . . . . . 5782 1 566 . 1 1 90 90 ILE HG22 H 1 0.632 0.02 . 1 . . . . . . . . . 5782 1 567 . 1 1 90 90 ILE HG23 H 1 0.632 0.02 . 1 . . . . . . . . . 5782 1 568 . 1 1 91 91 VAL H H 1 9.034 0.02 . 1 . . . . . . . . . 5782 1 569 . 1 1 91 91 VAL HA H 1 4.336 0.02 . 1 . . . . . . . . . 5782 1 570 . 1 1 91 91 VAL HB H 1 1.894 0.02 . 1 . . . . . . . . . 5782 1 571 . 1 1 91 91 VAL HG11 H 1 1.049 0.02 . 2 . . . . . . . . . 5782 1 572 . 1 1 91 91 VAL HG12 H 1 1.049 0.02 . 2 . . . . . . . . . 5782 1 573 . 1 1 91 91 VAL HG13 H 1 1.049 0.02 . 2 . . . . . . . . . 5782 1 574 . 1 1 91 91 VAL HG21 H 1 0.937 0.02 . 2 . . . . . . . . . 5782 1 575 . 1 1 91 91 VAL HG22 H 1 0.937 0.02 . 2 . . . . . . . . . 5782 1 576 . 1 1 91 91 VAL HG23 H 1 0.937 0.02 . 2 . . . . . . . . . 5782 1 577 . 1 1 92 92 LYS H H 1 8.763 0.02 . 1 . . . . . . . . . 5782 1 578 . 1 1 92 92 LYS HA H 1 4.472 0.02 . 1 . . . . . . . . . 5782 1 579 . 1 1 92 92 LYS HB2 H 1 1.861 0.02 . 1 . . . . . . . . . 5782 1 580 . 1 1 92 92 LYS HE2 H 1 3.008 0.02 . 1 . . . . . . . . . 5782 1 581 . 1 1 92 92 LYS HG2 H 1 1.565 0.02 . 2 . . . . . . . . . 5782 1 582 . 1 1 92 92 LYS HG3 H 1 1.443 0.02 . 2 . . . . . . . . . 5782 1 583 . 1 1 93 93 TRP H H 1 8.700 0.02 . 1 . . . . . . . . . 5782 1 584 . 1 1 93 93 TRP HA H 1 4.665 0.02 . 1 . . . . . . . . . 5782 1 585 . 1 1 93 93 TRP HB2 H 1 3.515 0.02 . 2 . . . . . . . . . 5782 1 586 . 1 1 93 93 TRP HB3 H 1 2.621 0.02 . 2 . . . . . . . . . 5782 1 587 . 1 1 93 93 TRP HD1 H 1 7.131 0.02 . 1 . . . . . . . . . 5782 1 588 . 1 1 93 93 TRP HE1 H 1 10.472 0.02 . 1 . . . . . . . . . 5782 1 589 . 1 1 93 93 TRP HE3 H 1 7.980 0.02 . 1 . . . . . . . . . 5782 1 590 . 1 1 93 93 TRP HH2 H 1 6.983 0.02 . 1 . . . . . . . . . 5782 1 591 . 1 1 93 93 TRP HZ2 H 1 7.640 0.02 . 1 . . . . . . . . . 5782 1 592 . 1 1 93 93 TRP HZ3 H 1 7.478 0.02 . 1 . . . . . . . . . 5782 1 593 . 1 1 94 94 ASP H H 1 8.432 0.02 . 1 . . . . . . . . . 5782 1 594 . 1 1 94 94 ASP HA H 1 4.492 0.02 . 1 . . . . . . . . . 5782 1 595 . 1 1 94 94 ASP HB2 H 1 2.760 0.02 . 2 . . . . . . . . . 5782 1 596 . 1 1 94 94 ASP HB3 H 1 2.472 0.02 . 2 . . . . . . . . . 5782 1 597 . 1 1 95 95 ARG H H 1 7.410 0.02 . 1 . . . . . . . . . 5782 1 598 . 1 1 95 95 ARG HA H 1 3.388 0.02 . 1 . . . . . . . . . 5782 1 599 . 1 1 95 95 ARG HB2 H 1 1.423 0.02 . 2 . . . . . . . . . 5782 1 600 . 1 1 95 95 ARG HB3 H 1 1.149 0.02 . 2 . . . . . . . . . 5782 1 601 . 1 1 95 95 ARG HD2 H 1 2.953 0.02 . 1 . . . . . . . . . 5782 1 602 . 1 1 95 95 ARG HG3 H 1 0.946 0.02 . 1 . . . . . . . . . 5782 1 603 . 1 1 96 96 ASP H H 1 8.192 0.02 . 1 . . . . . . . . . 5782 1 604 . 1 1 96 96 ASP HA H 1 4.663 0.02 . 1 . . . . . . . . . 5782 1 605 . 1 1 96 96 ASP HB2 H 1 2.783 0.02 . 2 . . . . . . . . . 5782 1 606 . 1 1 96 96 ASP HB3 H 1 2.611 0.02 . 2 . . . . . . . . . 5782 1 607 . 1 1 97 97 MET H H 1 7.586 0.02 . 1 . . . . . . . . . 5782 1 608 . 1 1 97 97 MET HA H 1 4.294 0.02 . 1 . . . . . . . . . 5782 1 609 . 1 1 97 97 MET HB2 H 1 2.172 0.02 . 2 . . . . . . . . . 5782 1 610 . 1 1 97 97 MET HB3 H 1 2.027 0.02 . 2 . . . . . . . . . 5782 1 611 . 1 1 97 97 MET HG2 H 1 2.172 0.02 . 2 . . . . . . . . . 5782 1 612 . 1 1 97 97 MET HG3 H 1 2.542 0.02 . 2 . . . . . . . . . 5782 1 stop_ save_ ################################### # 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_2 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode shift_set_2 _Assigned_chem_shift_list.Entry_ID 5782 _Assigned_chem_shift_list.ID 2 _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 ; For several residues a second chemical shift is observed, indicating a minor conformational species (25%). ; _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' . . . 5782 2 2 '1H-1H NOESY' . . . 5782 2 3 '1H-1H DQF-COSY' . . . 5782 2 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 5 5 ILE H H 1 8.344 0.02 . 1 . . . . . . . . . 5782 2 2 . 1 1 5 5 ILE HA H 1 4.848 0.02 . 1 . . . . . . . . . 5782 2 3 . 1 1 5 5 ILE HB H 1 1.656 0.02 . 1 . . . . . . . . . 5782 2 4 . 1 1 6 6 GLN H H 1 9.205 0.02 . 1 . . . . . . . . . 5782 2 5 . 1 1 6 6 GLN HA H 1 4.942 0.02 . 1 . . . . . . . . . 5782 2 6 . 1 1 6 6 GLN HB2 H 1 2.348 0.02 . 2 . . . . . . . . . 5782 2 7 . 1 1 6 6 GLN HB3 H 1 2.214 0.02 . 2 . . . . . . . . . 5782 2 8 . 1 1 7 7 VAL H H 1 8.872 0.02 . 1 . . . . . . . . . 5782 2 9 . 1 1 7 7 VAL HA H 1 5.396 0.02 . 1 . . . . . . . . . 5782 2 10 . 1 1 7 7 VAL HB H 1 1.975 0.02 . 1 . . . . . . . . . 5782 2 11 . 1 1 7 7 VAL HG11 H 1 0.886 0.02 . 2 . . . . . . . . . 5782 2 12 . 1 1 7 7 VAL HG12 H 1 0.886 0.02 . 2 . . . . . . . . . 5782 2 13 . 1 1 7 7 VAL HG13 H 1 0.886 0.02 . 2 . . . . . . . . . 5782 2 14 . 1 1 7 7 VAL HG21 H 1 0.951 0.02 . 2 . . . . . . . . . 5782 2 15 . 1 1 7 7 VAL HG22 H 1 0.951 0.02 . 2 . . . . . . . . . 5782 2 16 . 1 1 7 7 VAL HG23 H 1 0.951 0.02 . 2 . . . . . . . . . 5782 2 17 . 1 1 8 8 TYR H H 1 8.595 0.02 . 1 . . . . . . . . . 5782 2 18 . 1 1 8 8 TYR HA H 1 5.299 0.02 . 1 . . . . . . . . . 5782 2 19 . 1 1 20 20 PHE H H 1 10.362 0.02 . 1 . . . . . . . . . 5782 2 20 . 1 1 20 20 PHE HA H 1 5.434 0.02 . 1 . . . . . . . . . 5782 2 21 . 1 1 20 20 PHE HB2 H 1 2.658 0.02 . 1 . . . . . . . . . 5782 2 22 . 1 1 20 20 PHE HD1 H 1 7.017 0.02 . 1 . . . . . . . . . 5782 2 23 . 1 1 23 23 CYS H H 1 9.622 0.02 . 1 . . . . . . . . . 5782 2 24 . 1 1 24 24 TYR H H 1 9.586 0.02 . 1 . . . . . . . . . 5782 2 25 . 1 1 24 24 TYR HA H 1 5.403 0.02 . 1 . . . . . . . . . 5782 2 26 . 1 1 24 24 TYR HB2 H 1 3.018 0.02 . 1 . . . . . . . . . 5782 2 27 . 1 1 35 35 VAL H H 1 8.140 0.02 . 1 . . . . . . . . . 5782 2 28 . 1 1 35 35 VAL HA H 1 4.793 0.02 . 1 . . . . . . . . . 5782 2 29 . 1 1 35 35 VAL HB H 1 0.617 0.02 . 1 . . . . . . . . . 5782 2 30 . 1 1 35 35 VAL HG11 H 1 0.451 0.02 . 2 . . . . . . . . . 5782 2 31 . 1 1 35 35 VAL HG12 H 1 0.451 0.02 . 2 . . . . . . . . . 5782 2 32 . 1 1 35 35 VAL HG13 H 1 0.451 0.02 . 2 . . . . . . . . . 5782 2 33 . 1 1 35 35 VAL HG21 H 1 0.200 0.02 . 2 . . . . . . . . . 5782 2 34 . 1 1 35 35 VAL HG22 H 1 0.200 0.02 . 2 . . . . . . . . . 5782 2 35 . 1 1 35 35 VAL HG23 H 1 0.200 0.02 . 2 . . . . . . . . . 5782 2 36 . 1 1 36 36 ASP H H 1 8.909 0.02 . 1 . . . . . . . . . 5782 2 37 . 1 1 36 36 ASP HA H 1 5.032 0.02 . 1 . . . . . . . . . 5782 2 38 . 1 1 36 36 ASP HB2 H 1 2.183 0.02 . 1 . . . . . . . . . 5782 2 39 . 1 1 47 47 VAL H H 1 7.939 0.02 . 1 . . . . . . . . . 5782 2 40 . 1 1 47 47 VAL HA H 1 4.507 0.02 . 1 . . . . . . . . . 5782 2 41 . 1 1 47 47 VAL HB H 1 2.053 0.02 . 1 . . . . . . . . . 5782 2 42 . 1 1 47 47 VAL HG11 H 1 1.070 0.02 . 2 . . . . . . . . . 5782 2 43 . 1 1 47 47 VAL HG12 H 1 1.070 0.02 . 2 . . . . . . . . . 5782 2 44 . 1 1 47 47 VAL HG13 H 1 1.070 0.02 . 2 . . . . . . . . . 5782 2 45 . 1 1 47 47 VAL HG21 H 1 0.986 0.02 . 2 . . . . . . . . . 5782 2 46 . 1 1 47 47 VAL HG22 H 1 0.986 0.02 . 2 . . . . . . . . . 5782 2 47 . 1 1 47 47 VAL HG23 H 1 0.986 0.02 . 2 . . . . . . . . . 5782 2 48 . 1 1 48 48 GLU H H 1 8.532 0.02 . 1 . . . . . . . . . 5782 2 49 . 1 1 48 48 GLU HA H 1 4.507 0.02 . 1 . . . . . . . . . 5782 2 50 . 1 1 48 48 GLU HB2 H 1 1.581 0.02 . 2 . . . . . . . . . 5782 2 51 . 1 1 48 48 GLU HB3 H 1 0.713 0.02 . 2 . . . . . . . . . 5782 2 52 . 1 1 53 53 SER H H 1 8.079 0.02 . 1 . . . . . . . . . 5782 2 53 . 1 1 53 53 SER HA H 1 4.709 0.02 . 1 . . . . . . . . . 5782 2 54 . 1 1 53 53 SER HB3 H 1 2.674 0.02 . 1 . . . . . . . . . 5782 2 55 . 1 1 64 64 TYR H H 1 9.067 0.02 . 1 . . . . . . . . . 5782 2 56 . 1 1 64 64 TYR HA H 1 5.345 0.02 . 1 . . . . . . . . . 5782 2 57 . 1 1 64 64 TYR HB2 H 1 2.840 0.02 . 2 . . . . . . . . . 5782 2 58 . 1 1 64 64 TYR HB3 H 1 2.642 0.02 . 2 . . . . . . . . . 5782 2 59 . 1 1 65 65 TYR H H 1 8.967 0.02 . 1 . . . . . . . . . 5782 2 60 . 1 1 65 65 TYR HA H 1 6.056 0.02 . 1 . . . . . . . . . 5782 2 61 . 1 1 65 65 TYR HB2 H 1 3.046 0.02 . 2 . . . . . . . . . 5782 2 62 . 1 1 65 65 TYR HB3 H 1 2.735 0.02 . 2 . . . . . . . . . 5782 2 63 . 1 1 67 67 GLU H H 1 8.466 0.02 . 1 . . . . . . . . . 5782 2 64 . 1 1 67 67 GLU HA H 1 4.361 0.02 . 1 . . . . . . . . . 5782 2 65 . 1 1 67 67 GLU HB2 H 1 1.857 0.02 . 1 . . . . . . . . . 5782 2 66 . 1 1 76 76 TYR H H 1 9.447 0.02 . 1 . . . . . . . . . 5782 2 67 . 1 1 76 76 TYR HA H 1 5.686 0.02 . 1 . . . . . . . . . 5782 2 68 . 1 1 76 76 TYR HB2 H 1 2.824 0.02 . 2 . . . . . . . . . 5782 2 69 . 1 1 76 76 TYR HB3 H 1 2.752 0.02 . 2 . . . . . . . . . 5782 2 70 . 1 1 77 77 ALA H H 1 8.790 0.02 . 1 . . . . . . . . . 5782 2 71 . 1 1 77 77 ALA HA H 1 5.059 0.02 . 1 . . . . . . . . . 5782 2 72 . 1 1 77 77 ALA HB1 H 1 1.218 0.02 . 1 . . . . . . . . . 5782 2 73 . 1 1 77 77 ALA HB2 H 1 1.218 0.02 . 1 . . . . . . . . . 5782 2 74 . 1 1 77 77 ALA HB3 H 1 1.218 0.02 . 1 . . . . . . . . . 5782 2 75 . 1 1 79 79 ARG H H 1 9.363 0.02 . 1 . . . . . . . . . 5782 2 76 . 1 1 79 79 ARG HA H 1 5.379 0.02 . 1 . . . . . . . . . 5782 2 77 . 1 1 79 79 ARG HB2 H 1 1.830 0.02 . 2 . . . . . . . . . 5782 2 78 . 1 1 79 79 ARG HB3 H 1 1.174 0.02 . 2 . . . . . . . . . 5782 2 79 . 1 1 81 81 ASN H H 1 8.931 0.02 . 1 . . . . . . . . . 5782 2 80 . 1 1 81 81 ASN HA H 1 5.167 0.02 . 1 . . . . . . . . . 5782 2 81 . 1 1 81 81 ASN HB2 H 1 2.810 0.02 . 2 . . . . . . . . . 5782 2 82 . 1 1 81 81 ASN HB3 H 1 2.413 0.02 . 2 . . . . . . . . . 5782 2 83 . 1 1 82 82 HIS H H 1 7.790 0.02 . 1 . . . . . . . . . 5782 2 84 . 1 1 82 82 HIS HA H 1 4.588 0.02 . 1 . . . . . . . . . 5782 2 85 . 1 1 83 83 VAL H H 1 7.950 0.02 . 1 . . . . . . . . . 5782 2 86 . 1 1 87 87 GLN H H 1 7.527 0.02 . 1 . . . . . . . . . 5782 2 87 . 1 1 87 87 GLN HA H 1 4.798 0.02 . 1 . . . . . . . . . 5782 2 88 . 1 1 89 89 LYS H H 1 8.563 0.02 . 1 . . . . . . . . . 5782 2 89 . 1 1 89 89 LYS HA H 1 4.556 0.02 . 1 . . . . . . . . . 5782 2 90 . 1 1 89 89 LYS HB2 H 1 1.742 0.02 . 1 . . . . . . . . . 5782 2 91 . 1 1 89 89 LYS HG2 H 1 1.440 0.02 . 1 . . . . . . . . . 5782 2 92 . 1 1 91 91 VAL H H 1 8.987 0.02 . 1 . . . . . . . . . 5782 2 93 . 1 1 91 91 VAL HA H 1 4.294 0.02 . 1 . . . . . . . . . 5782 2 94 . 1 1 91 91 VAL HB H 1 1.885 0.02 . 1 . . . . . . . . . 5782 2 95 . 1 1 91 91 VAL HG11 H 1 1.024 0.02 . 1 . . . . . . . . . 5782 2 96 . 1 1 91 91 VAL HG12 H 1 1.024 0.02 . 1 . . . . . . . . . 5782 2 97 . 1 1 91 91 VAL HG13 H 1 1.024 0.02 . 1 . . . . . . . . . 5782 2 98 . 1 1 94 94 ASP H H 1 8.506 0.02 . 1 . . . . . . . . . 5782 2 99 . 1 1 94 94 ASP HA H 1 4.521 0.02 . 1 . . . . . . . . . 5782 2 100 . 1 1 94 94 ASP HB2 H 1 2.779 0.02 . 2 . . . . . . . . . 5782 2 101 . 1 1 94 94 ASP HB3 H 1 2.491 0.02 . 2 . . . . . . . . . 5782 2 102 . 1 1 95 95 ARG H H 1 7.442 0.02 . 1 . . . . . . . . . 5782 2 103 . 1 1 95 95 ARG HA H 1 3.407 0.02 . 1 . . . . . . . . . 5782 2 104 . 1 1 95 95 ARG HB3 H 1 1.147 0.02 . 1 . . . . . . . . . 5782 2 stop_ save_