################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 16094 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-1H TOCSY' . . . 16094 1 2 '2D 1H-1H NOESY' . . . 16094 1 3 '2D DQF-COSY' . . . 16094 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 PRO HA H 1 4.361 0.000 . 1 . . . . 1 PRO HA . 16094 1 2 . 1 1 1 1 PRO HB2 H 1 2.431 0.000 . 1 . . . . 1 PRO HB2 . 16094 1 3 . 1 1 1 1 PRO HB3 H 1 2.431 0.000 . 1 . . . . 1 PRO HB3 . 16094 1 4 . 1 1 1 1 PRO HD2 H 1 3.420 0.000 . 2 . . . . 1 PRO HD2 . 16094 1 5 . 1 1 1 1 PRO HD3 H 1 3.368 0.000 . 2 . . . . 1 PRO HD3 . 16094 1 6 . 1 1 1 1 PRO HG2 H 1 2.041 0.000 . 1 . . . . 1 PRO HG2 . 16094 1 7 . 1 1 1 1 PRO HG3 H 1 2.041 0.000 . 1 . . . . 1 PRO HG3 . 16094 1 8 . 1 1 3 3 GLN H H 1 8.469 0.000 . 1 . . . . 3 GLN H . 16094 1 9 . 1 1 3 3 GLN HA H 1 4.197 0.000 . 1 . . . . 3 GLN HA . 16094 1 10 . 1 1 3 3 GLN HB2 H 1 1.992 0.000 . 2 . . . . 3 GLN HB2 . 16094 1 11 . 1 1 3 3 GLN HB3 H 1 1.910 0.000 . 2 . . . . 3 GLN HB3 . 16094 1 12 . 1 1 3 3 GLN HG2 H 1 2.330 0.000 . 1 . . . . 3 GLN HG2 . 16094 1 13 . 1 1 3 3 GLN HG3 H 1 2.330 0.000 . 1 . . . . 3 GLN HG3 . 16094 1 14 . 1 1 4 4 ASP H H 1 8.217 0.000 . 1 . . . . 4 ASP H . 16094 1 15 . 1 1 4 4 ASP HA H 1 4.433 0.000 . 1 . . . . 4 ASP HA . 16094 1 16 . 1 1 4 4 ASP HB2 H 1 2.865 0.000 . 2 . . . . 4 ASP HB2 . 16094 1 17 . 1 1 4 4 ASP HB3 H 1 2.608 0.000 . 2 . . . . 4 ASP HB3 . 16094 1 18 . 1 1 5 5 TYR H H 1 8.698 0.000 . 1 . . . . 5 TYR H . 16094 1 19 . 1 1 5 5 TYR HA H 1 4.222 0.000 . 1 . . . . 5 TYR HA . 16094 1 20 . 1 1 5 5 TYR HB2 H 1 3.184 0.000 . 2 . . . . 5 TYR HB2 . 16094 1 21 . 1 1 5 5 TYR HB3 H 1 3.047 0.000 . 2 . . . . 5 TYR HB3 . 16094 1 22 . 1 1 6 6 ARG H H 1 8.720 0.000 . 1 . . . . 6 ARG H . 16094 1 23 . 1 1 6 6 ARG HA H 1 3.419 0.000 . 1 . . . . 6 ARG HA . 16094 1 24 . 1 1 6 6 ARG HB2 H 1 1.571 0.000 . 2 . . . . 6 ARG HB2 . 16094 1 25 . 1 1 6 6 ARG HB3 H 1 1.519 0.000 . 2 . . . . 6 ARG HB3 . 16094 1 26 . 1 1 6 6 ARG HD2 H 1 2.979 0.000 . 1 . . . . 6 ARG HD2 . 16094 1 27 . 1 1 6 6 ARG HD3 H 1 2.979 0.000 . 1 . . . . 6 ARG HD3 . 16094 1 28 . 1 1 6 6 ARG HG2 H 1 1.187 0.000 . 2 . . . . 6 ARG HG2 . 16094 1 29 . 1 1 6 6 ARG HG3 H 1 1.085 0.000 . 2 . . . . 6 ARG HG3 . 16094 1 30 . 1 1 7 7 CYS H H 1 7.509 0.000 . 1 . . . . 7 CYS H . 16094 1 31 . 1 1 7 7 CYS HA H 1 4.272 0.000 . 1 . . . . 7 CYS HA . 16094 1 32 . 1 1 7 7 CYS HB2 H 1 2.970 0.000 . 2 . . . . 7 CYS HB2 . 16094 1 33 . 1 1 7 7 CYS HB3 H 1 2.707 0.000 . 2 . . . . 7 CYS HB3 . 16094 1 34 . 1 1 8 8 GLN H H 1 7.414 0.000 . 1 . . . . 8 GLN H . 16094 1 35 . 1 1 8 8 GLN HA H 1 4.377 0.000 . 1 . . . . 8 GLN HA . 16094 1 36 . 1 1 8 8 GLN HB2 H 1 1.961 0.000 . 1 . . . . 8 GLN HB2 . 16094 1 37 . 1 1 8 8 GLN HB3 H 1 1.961 0.000 . 1 . . . . 8 GLN HB3 . 16094 1 38 . 1 1 8 8 GLN HG2 H 1 2.351 0.000 . 1 . . . . 8 GLN HG2 . 16094 1 39 . 1 1 8 8 GLN HG3 H 1 2.351 0.000 . 1 . . . . 8 GLN HG3 . 16094 1 40 . 1 1 9 9 LEU H H 1 7.127 0.000 . 1 . . . . 9 LEU H . 16094 1 41 . 1 1 9 9 LEU HA H 1 4.476 0.000 . 1 . . . . 9 LEU HA . 16094 1 42 . 1 1 9 9 LEU HB2 H 1 1.865 0.000 . 2 . . . . 9 LEU HB2 . 16094 1 43 . 1 1 9 9 LEU HB3 H 1 1.405 0.000 . 2 . . . . 9 LEU HB3 . 16094 1 44 . 1 1 9 9 LEU HD11 H 1 0.925 0.000 . 1 . . . . 9 LEU HD1 . 16094 1 45 . 1 1 9 9 LEU HD12 H 1 0.925 0.000 . 1 . . . . 9 LEU HD1 . 16094 1 46 . 1 1 9 9 LEU HD13 H 1 0.925 0.000 . 1 . . . . 9 LEU HD1 . 16094 1 47 . 1 1 9 9 LEU HD21 H 1 0.925 0.000 . 1 . . . . 9 LEU HD2 . 16094 1 48 . 1 1 9 9 LEU HD22 H 1 0.925 0.000 . 1 . . . . 9 LEU HD2 . 16094 1 49 . 1 1 9 9 LEU HD23 H 1 0.925 0.000 . 1 . . . . 9 LEU HD2 . 16094 1 50 . 1 1 9 9 LEU HG H 1 1.596 0.000 . 1 . . . . 9 LEU HG . 16094 1 51 . 1 1 10 10 SER H H 1 8.746 0.000 . 1 . . . . 10 SER H . 16094 1 52 . 1 1 10 10 SER HA H 1 4.405 0.000 . 1 . . . . 10 SER HA . 16094 1 53 . 1 1 10 10 SER HB2 H 1 3.890 0.000 . 2 . . . . 10 SER HB2 . 16094 1 54 . 1 1 10 10 SER HB3 H 1 3.767 0.000 . 2 . . . . 10 SER HB3 . 16094 1 55 . 1 1 11 11 ARG H H 1 8.381 0.000 . 1 . . . . 11 ARG H . 16094 1 56 . 1 1 11 11 ARG HA H 1 3.595 0.000 . 1 . . . . 11 ARG HA . 16094 1 57 . 1 1 11 11 ARG HB2 H 1 0.896 0.000 . 2 . . . . 11 ARG HB2 . 16094 1 58 . 1 1 11 11 ARG HB3 H 1 0.508 0.000 . 2 . . . . 11 ARG HB3 . 16094 1 59 . 1 1 11 11 ARG HD2 H 1 2.066 0.000 . 2 . . . . 11 ARG HD2 . 16094 1 60 . 1 1 11 11 ARG HD3 H 1 1.639 0.000 . 2 . . . . 11 ARG HD3 . 16094 1 61 . 1 1 11 11 ARG HG2 H 1 -0.023 0.000 . 2 . . . . 11 ARG HG2 . 16094 1 62 . 1 1 11 11 ARG HG3 H 1 -0.416 0.000 . 2 . . . . 11 ARG HG3 . 16094 1 63 . 1 1 12 12 ASN H H 1 8.316 0.000 . 1 . . . . 12 ASN H . 16094 1 64 . 1 1 12 12 ASN HA H 1 4.806 0.000 . 1 . . . . 12 ASN HA . 16094 1 65 . 1 1 12 12 ASN HB2 H 1 2.660 0.000 . 2 . . . . 12 ASN HB2 . 16094 1 66 . 1 1 12 12 ASN HB3 H 1 2.458 0.000 . 2 . . . . 12 ASN HB3 . 16094 1 67 . 1 1 13 13 TYR H H 1 9.093 0.000 . 1 . . . . 13 TYR H . 16094 1 68 . 1 1 13 13 TYR HA H 1 4.865 0.000 . 1 . . . . 13 TYR HA . 16094 1 69 . 1 1 13 13 TYR HB2 H 1 3.170 0.000 . 2 . . . . 13 TYR HB2 . 16094 1 70 . 1 1 13 13 TYR HB3 H 1 2.880 0.000 . 2 . . . . 13 TYR HB3 . 16094 1 71 . 1 1 14 14 GLY H H 1 7.990 0.000 . 1 . . . . 14 GLY H . 16094 1 72 . 1 1 14 14 GLY HA2 H 1 4.010 0.000 . 2 . . . . 14 GLY HA2 . 16094 1 73 . 1 1 14 14 GLY HA3 H 1 3.477 0.000 . 2 . . . . 14 GLY HA3 . 16094 1 74 . 1 1 15 15 LYS H H 1 8.697 0.000 . 1 . . . . 15 LYS H . 16094 1 75 . 1 1 15 15 LYS HA H 1 4.598 0.000 . 1 . . . . 15 LYS HA . 16094 1 76 . 1 1 15 15 LYS HB2 H 1 1.684 0.000 . 2 . . . . 15 LYS HB2 . 16094 1 77 . 1 1 15 15 LYS HB3 H 1 1.505 0.000 . 2 . . . . 15 LYS HB3 . 16094 1 78 . 1 1 15 15 LYS HD2 H 1 1.608 0.000 . 2 . . . . 15 LYS HD2 . 16094 1 79 . 1 1 15 15 LYS HD3 H 1 1.407 0.000 . 2 . . . . 15 LYS HD3 . 16094 1 80 . 1 1 15 15 LYS HE2 H 1 2.936 0.000 . 1 . . . . 15 LYS HE2 . 16094 1 81 . 1 1 15 15 LYS HE3 H 1 2.936 0.000 . 1 . . . . 15 LYS HE3 . 16094 1 82 . 1 1 15 15 LYS HG2 H 1 1.317 0.000 . 2 . . . . 15 LYS HG2 . 16094 1 83 . 1 1 15 15 LYS HG3 H 1 1.264 0.000 . 2 . . . . 15 LYS HG3 . 16094 1 84 . 1 1 16 16 GLY H H 1 8.349 0.000 . 1 . . . . 16 GLY H . 16094 1 85 . 1 1 16 16 GLY HA2 H 1 4.363 0.000 . 2 . . . . 16 GLY HA2 . 16094 1 86 . 1 1 16 16 GLY HA3 H 1 3.688 0.000 . 2 . . . . 16 GLY HA3 . 16094 1 87 . 1 1 17 17 SER H H 1 8.579 0.000 . 1 . . . . 17 SER H . 16094 1 88 . 1 1 17 17 SER HA H 1 4.650 0.000 . 1 . . . . 17 SER HA . 16094 1 89 . 1 1 17 17 SER HB2 H 1 3.955 0.000 . 2 . . . . 17 SER HB2 . 16094 1 90 . 1 1 17 17 SER HB3 H 1 3.816 0.000 . 2 . . . . 17 SER HB3 . 16094 1 91 . 1 1 18 18 GLY H H 1 8.200 0.000 . 1 . . . . 18 GLY H . 16094 1 92 . 1 1 18 18 GLY HA2 H 1 3.923 0.000 . 2 . . . . 18 GLY HA2 . 16094 1 93 . 1 1 18 18 GLY HA3 H 1 3.341 0.000 . 2 . . . . 18 GLY HA3 . 16094 1 94 . 1 1 19 19 SER H H 1 7.548 0.000 . 1 . . . . 19 SER H . 16094 1 95 . 1 1 19 19 SER HA H 1 4.109 0.000 . 1 . . . . 19 SER HA . 16094 1 96 . 1 1 19 19 SER HB2 H 1 3.548 0.000 . 2 . . . . 19 SER HB2 . 16094 1 97 . 1 1 19 19 SER HB3 H 1 3.394 0.000 . 2 . . . . 19 SER HB3 . 16094 1 98 . 1 1 20 20 PHE H H 1 8.641 0.000 . 1 . . . . 20 PHE H . 16094 1 99 . 1 1 20 20 PHE HA H 1 4.708 0.000 . 1 . . . . 20 PHE HA . 16094 1 100 . 1 1 20 20 PHE HB2 H 1 3.158 0.000 . 2 . . . . 20 PHE HB2 . 16094 1 101 . 1 1 20 20 PHE HB3 H 1 2.904 0.000 . 2 . . . . 20 PHE HB3 . 16094 1 102 . 1 1 21 21 THR H H 1 9.177 0.000 . 1 . . . . 21 THR H . 16094 1 103 . 1 1 21 21 THR HA H 1 4.332 0.000 . 1 . . . . 21 THR HA . 16094 1 104 . 1 1 21 21 THR HB H 1 4.113 0.000 . 1 . . . . 21 THR HB . 16094 1 105 . 1 1 21 21 THR HG21 H 1 1.039 0.000 . 1 . . . . 21 THR HG2 . 16094 1 106 . 1 1 21 21 THR HG22 H 1 1.039 0.000 . 1 . . . . 21 THR HG2 . 16094 1 107 . 1 1 21 21 THR HG23 H 1 1.039 0.000 . 1 . . . . 21 THR HG2 . 16094 1 108 . 1 1 22 22 ASN H H 1 8.895 0.000 . 1 . . . . 22 ASN H . 16094 1 109 . 1 1 22 22 ASN HA H 1 5.008 0.000 . 1 . . . . 22 ASN HA . 16094 1 110 . 1 1 22 22 ASN HB2 H 1 2.769 0.000 . 2 . . . . 22 ASN HB2 . 16094 1 111 . 1 1 22 22 ASN HB3 H 1 1.725 0.000 . 2 . . . . 22 ASN HB3 . 16094 1 112 . 1 1 22 22 ASN HD21 H 1 7.306 0.000 . 1 . . . . 22 ASN HD21 . 16094 1 113 . 1 1 22 22 ASN HD22 H 1 6.922 0.000 . 1 . . . . 22 ASN HD22 . 16094 1 114 . 1 1 23 23 TYR H H 1 9.428 0.000 . 1 . . . . 23 TYR H . 16094 1 115 . 1 1 23 23 TYR HA H 1 5.725 0.000 . 1 . . . . 23 TYR HA . 16094 1 116 . 1 1 23 23 TYR HB2 H 1 2.733 0.000 . 1 . . . . 23 TYR HB2 . 16094 1 117 . 1 1 23 23 TYR HB3 H 1 2.733 0.000 . 1 . . . . 23 TYR HB3 . 16094 1 118 . 1 1 23 23 TYR HD1 H 1 6.682 0.000 . 1 . . . . 23 TYR HD . 16094 1 119 . 1 1 23 23 TYR HD2 H 1 6.682 0.000 . 1 . . . . 23 TYR HD . 16094 1 120 . 1 1 23 23 TYR HE1 H 1 6.796 0.000 . 1 . . . . 23 TYR HE . 16094 1 121 . 1 1 23 23 TYR HE2 H 1 6.796 0.000 . 1 . . . . 23 TYR HE . 16094 1 122 . 1 1 24 24 TYR H H 1 9.800 0.000 . 1 . . . . 24 TYR H . 16094 1 123 . 1 1 24 24 TYR HA H 1 5.141 0.000 . 1 . . . . 24 TYR HA . 16094 1 124 . 1 1 24 24 TYR HB2 H 1 2.642 0.000 . 1 . . . . 24 TYR HB2 . 16094 1 125 . 1 1 24 24 TYR HB3 H 1 2.642 0.000 . 1 . . . . 24 TYR HB3 . 16094 1 126 . 1 1 24 24 TYR HD1 H 1 6.630 0.000 . 1 . . . . 24 TYR HD . 16094 1 127 . 1 1 24 24 TYR HD2 H 1 6.630 0.000 . 1 . . . . 24 TYR HD . 16094 1 128 . 1 1 24 24 TYR HE1 H 1 6.834 0.000 . 1 . . . . 24 TYR HE . 16094 1 129 . 1 1 24 24 TYR HE2 H 1 6.834 0.000 . 1 . . . . 24 TYR HE . 16094 1 130 . 1 1 25 25 TYR H H 1 10.492 0.000 . 1 . . . . 25 TYR H . 16094 1 131 . 1 1 25 25 TYR HA H 1 4.394 0.000 . 1 . . . . 25 TYR HA . 16094 1 132 . 1 1 25 25 TYR HB2 H 1 3.109 0.000 . 2 . . . . 25 TYR HB2 . 16094 1 133 . 1 1 25 25 TYR HB3 H 1 2.788 0.000 . 2 . . . . 25 TYR HB3 . 16094 1 134 . 1 1 25 25 TYR HD1 H 1 6.946 0.000 . 1 . . . . 25 TYR HD . 16094 1 135 . 1 1 25 25 TYR HD2 H 1 6.946 0.000 . 1 . . . . 25 TYR HD . 16094 1 136 . 1 1 25 25 TYR HE1 H 1 7.177 0.000 . 1 . . . . 25 TYR HE . 16094 1 137 . 1 1 25 25 TYR HE2 H 1 7.177 0.000 . 1 . . . . 25 TYR HE . 16094 1 138 . 1 1 26 26 ASP H H 1 8.656 0.000 . 1 . . . . 26 ASP H . 16094 1 139 . 1 1 26 26 ASP HA H 1 4.524 0.000 . 1 . . . . 26 ASP HA . 16094 1 140 . 1 1 26 26 ASP HB2 H 1 2.818 0.000 . 2 . . . . 26 ASP HB2 . 16094 1 141 . 1 1 26 26 ASP HB3 H 1 1.873 0.000 . 2 . . . . 26 ASP HB3 . 16094 1 142 . 1 1 27 27 LYS H H 1 8.314 0.000 . 1 . . . . 27 LYS H . 16094 1 143 . 1 1 27 27 LYS HA H 1 3.710 0.000 . 1 . . . . 27 LYS HA . 16094 1 144 . 1 1 27 27 LYS HB2 H 1 1.986 0.000 . 2 . . . . 27 LYS HB2 . 16094 1 145 . 1 1 27 27 LYS HB3 H 1 1.860 0.000 . 2 . . . . 27 LYS HB3 . 16094 1 146 . 1 1 27 27 LYS HD2 H 1 1.762 0.000 . 1 . . . . 27 LYS HD2 . 16094 1 147 . 1 1 27 27 LYS HD3 H 1 1.762 0.000 . 1 . . . . 27 LYS HD3 . 16094 1 148 . 1 1 27 27 LYS HE2 H 1 3.046 0.000 . 1 . . . . 27 LYS HE2 . 16094 1 149 . 1 1 27 27 LYS HE3 H 1 3.046 0.000 . 1 . . . . 27 LYS HE3 . 16094 1 150 . 1 1 27 27 LYS HG2 H 1 1.538 0.000 . 1 . . . . 27 LYS HG2 . 16094 1 151 . 1 1 27 27 LYS HG3 H 1 1.538 0.000 . 1 . . . . 27 LYS HG3 . 16094 1 152 . 1 1 28 28 ALA H H 1 8.217 0.000 . 1 . . . . 28 ALA H . 16094 1 153 . 1 1 28 28 ALA HA H 1 4.140 0.000 . 1 . . . . 28 ALA HA . 16094 1 154 . 1 1 28 28 ALA HB1 H 1 1.524 0.000 . 1 . . . . 28 ALA HB . 16094 1 155 . 1 1 28 28 ALA HB2 H 1 1.524 0.000 . 1 . . . . 28 ALA HB . 16094 1 156 . 1 1 28 28 ALA HB3 H 1 1.524 0.000 . 1 . . . . 28 ALA HB . 16094 1 157 . 1 1 29 29 THR H H 1 7.010 0.000 . 1 . . . . 29 THR H . 16094 1 158 . 1 1 29 29 THR HA H 1 4.431 0.000 . 1 . . . . 29 THR HA . 16094 1 159 . 1 1 29 29 THR HG21 H 1 1.087 0.000 . 1 . . . . 29 THR HG2 . 16094 1 160 . 1 1 29 29 THR HG22 H 1 1.087 0.000 . 1 . . . . 29 THR HG2 . 16094 1 161 . 1 1 29 29 THR HG23 H 1 1.087 0.000 . 1 . . . . 29 THR HG2 . 16094 1 162 . 1 1 30 30 SER H H 1 7.756 0.000 . 1 . . . . 30 SER H . 16094 1 163 . 1 1 30 30 SER HA H 1 3.872 0.000 . 1 . . . . 30 SER HA . 16094 1 164 . 1 1 30 30 SER HB2 H 1 4.126 0.000 . 2 . . . . 30 SER HB2 . 16094 1 165 . 1 1 30 30 SER HB3 H 1 4.026 0.000 . 2 . . . . 30 SER HB3 . 16094 1 166 . 1 1 31 31 SER H H 1 7.321 0.000 . 1 . . . . 31 SER H . 16094 1 167 . 1 1 31 31 SER HA H 1 4.731 0.000 . 1 . . . . 31 SER HA . 16094 1 168 . 1 1 31 31 SER HB2 H 1 3.714 0.000 . 2 . . . . 31 SER HB2 . 16094 1 169 . 1 1 31 31 SER HB3 H 1 3.678 0.000 . 2 . . . . 31 SER HB3 . 16094 1 170 . 1 1 32 32 CYS H H 1 8.935 0.000 . 1 . . . . 32 CYS H . 16094 1 171 . 1 1 32 32 CYS HA H 1 5.431 0.000 . 1 . . . . 32 CYS HA . 16094 1 172 . 1 1 32 32 CYS HB2 H 1 3.406 0.000 . 2 . . . . 32 CYS HB2 . 16094 1 173 . 1 1 32 32 CYS HB3 H 1 2.533 0.000 . 2 . . . . 32 CYS HB3 . 16094 1 174 . 1 1 33 33 LYS H H 1 8.848 0.000 . 1 . . . . 33 LYS H . 16094 1 175 . 1 1 33 33 LYS HA H 1 4.802 0.000 . 1 . . . . 33 LYS HA . 16094 1 176 . 1 1 33 33 LYS HB2 H 1 1.230 0.000 . 1 . . . . 33 LYS HB2 . 16094 1 177 . 1 1 33 33 LYS HB3 H 1 1.230 0.000 . 1 . . . . 33 LYS HB3 . 16094 1 178 . 1 1 33 33 LYS HD2 H 1 1.995 0.000 . 2 . . . . 33 LYS HD2 . 16094 1 179 . 1 1 33 33 LYS HD3 H 1 1.554 0.000 . 2 . . . . 33 LYS HD3 . 16094 1 180 . 1 1 33 33 LYS HE2 H 1 2.902 0.000 . 1 . . . . 33 LYS HE2 . 16094 1 181 . 1 1 33 33 LYS HE3 H 1 2.902 0.000 . 1 . . . . 33 LYS HE3 . 16094 1 182 . 1 1 33 33 LYS HG2 H 1 1.644 0.000 . 2 . . . . 33 LYS HG2 . 16094 1 183 . 1 1 33 33 LYS HG3 H 1 1.175 0.000 . 2 . . . . 33 LYS HG3 . 16094 1 184 . 1 1 34 34 THR H H 1 8.172 0.000 . 1 . . . . 34 THR H . 16094 1 185 . 1 1 34 34 THR HA H 1 5.027 0.000 . 1 . . . . 34 THR HA . 16094 1 186 . 1 1 34 34 THR HB H 1 3.992 0.000 . 1 . . . . 34 THR HB . 16094 1 187 . 1 1 34 34 THR HG21 H 1 0.750 0.000 . 1 . . . . 34 THR HG2 . 16094 1 188 . 1 1 34 34 THR HG22 H 1 0.750 0.000 . 1 . . . . 34 THR HG2 . 16094 1 189 . 1 1 34 34 THR HG23 H 1 0.750 0.000 . 1 . . . . 34 THR HG2 . 16094 1 190 . 1 1 35 35 PHE H H 1 9.298 0.000 . 1 . . . . 35 PHE H . 16094 1 191 . 1 1 35 35 PHE HA H 1 4.956 0.000 . 1 . . . . 35 PHE HA . 16094 1 192 . 1 1 35 35 PHE HB2 H 1 3.298 0.000 . 2 . . . . 35 PHE HB2 . 16094 1 193 . 1 1 35 35 PHE HB3 H 1 2.650 0.000 . 2 . . . . 35 PHE HB3 . 16094 1 194 . 1 1 35 35 PHE HD1 H 1 7.068 0.000 . 1 . . . . 35 PHE HD . 16094 1 195 . 1 1 35 35 PHE HD2 H 1 7.068 0.000 . 1 . . . . 35 PHE HD . 16094 1 196 . 1 1 35 35 PHE HE1 H 1 7.308 0.000 . 1 . . . . 35 PHE HE . 16094 1 197 . 1 1 35 35 PHE HE2 H 1 7.308 0.000 . 1 . . . . 35 PHE HE . 16094 1 198 . 1 1 36 36 ARG H H 1 8.421 0.000 . 1 . . . . 36 ARG H . 16094 1 199 . 1 1 36 36 ARG HA H 1 4.509 0.000 . 1 . . . . 36 ARG HA . 16094 1 200 . 1 1 36 36 ARG HB2 H 1 1.744 0.000 . 2 . . . . 36 ARG HB2 . 16094 1 201 . 1 1 36 36 ARG HB3 H 1 1.507 0.000 . 2 . . . . 36 ARG HB3 . 16094 1 202 . 1 1 36 36 ARG HD2 H 1 2.962 0.000 . 1 . . . . 36 ARG HD2 . 16094 1 203 . 1 1 36 36 ARG HD3 H 1 2.962 0.000 . 1 . . . . 36 ARG HD3 . 16094 1 204 . 1 1 36 36 ARG HG2 H 1 1.373 0.000 . 2 . . . . 36 ARG HG2 . 16094 1 205 . 1 1 36 36 ARG HG3 H 1 1.324 0.000 . 2 . . . . 36 ARG HG3 . 16094 1 206 . 1 1 37 37 TYR H H 1 8.675 0.000 . 1 . . . . 37 TYR H . 16094 1 207 . 1 1 37 37 TYR HA H 1 4.904 0.000 . 1 . . . . 37 TYR HA . 16094 1 208 . 1 1 37 37 TYR HB2 H 1 2.709 0.000 . 2 . . . . 37 TYR HB2 . 16094 1 209 . 1 1 37 37 TYR HB3 H 1 2.427 0.000 . 2 . . . . 37 TYR HB3 . 16094 1 210 . 1 1 38 38 ARG H H 1 8.469 0.000 . 1 . . . . 38 ARG H . 16094 1 211 . 1 1 38 38 ARG HA H 1 4.293 0.000 . 1 . . . . 38 ARG HA . 16094 1 212 . 1 1 38 38 ARG HB2 H 1 1.851 0.000 . 2 . . . . 38 ARG HB2 . 16094 1 213 . 1 1 38 38 ARG HB3 H 1 1.777 0.000 . 2 . . . . 38 ARG HB3 . 16094 1 214 . 1 1 38 38 ARG HD2 H 1 3.194 0.000 . 1 . . . . 38 ARG HD2 . 16094 1 215 . 1 1 38 38 ARG HD3 H 1 3.194 0.000 . 1 . . . . 38 ARG HD3 . 16094 1 216 . 1 1 38 38 ARG HG2 H 1 1.594 0.000 . 1 . . . . 38 ARG HG2 . 16094 1 217 . 1 1 38 38 ARG HG3 H 1 1.594 0.000 . 1 . . . . 38 ARG HG3 . 16094 1 218 . 1 1 39 39 GLY H H 1 8.696 0.000 . 1 . . . . 39 GLY H . 16094 1 219 . 1 1 40 40 SER H H 1 7.568 0.000 . 1 . . . . 40 SER H . 16094 1 220 . 1 1 40 40 SER HA H 1 4.850 0.000 . 1 . . . . 40 SER HA . 16094 1 221 . 1 1 40 40 SER HB2 H 1 3.743 0.000 . 2 . . . . 40 SER HB2 . 16094 1 222 . 1 1 40 40 SER HB3 H 1 3.706 0.000 . 2 . . . . 40 SER HB3 . 16094 1 223 . 1 1 41 41 GLY H H 1 8.913 0.000 . 1 . . . . 41 GLY H . 16094 1 224 . 1 1 41 41 GLY HA2 H 1 4.042 0.000 . 2 . . . . 41 GLY HA2 . 16094 1 225 . 1 1 41 41 GLY HA3 H 1 3.922 0.000 . 2 . . . . 41 GLY HA3 . 16094 1 226 . 1 1 42 42 GLY H H 1 9.134 0.000 . 1 . . . . 42 GLY H . 16094 1 227 . 1 1 43 43 ASN H H 1 8.595 0.000 . 1 . . . . 43 ASN H . 16094 1 228 . 1 1 43 43 ASN HA H 1 4.540 0.000 . 1 . . . . 43 ASN HA . 16094 1 229 . 1 1 43 43 ASN HB2 H 1 2.974 0.000 . 1 . . . . 43 ASN HB2 . 16094 1 230 . 1 1 43 43 ASN HB3 H 1 2.974 0.000 . 1 . . . . 43 ASN HB3 . 16094 1 231 . 1 1 45 45 ASN HB2 H 1 2.878 0.000 . 1 . . . . 45 ASN HB2 . 16094 1 232 . 1 1 45 45 ASN HB3 H 1 2.878 0.000 . 1 . . . . 45 ASN HB3 . 16094 1 233 . 1 1 46 46 ARG H H 1 7.194 0.000 . 1 . . . . 46 ARG H . 16094 1 234 . 1 1 46 46 ARG HA H 1 4.776 0.000 . 1 . . . . 46 ARG HA . 16094 1 235 . 1 1 46 46 ARG HB2 H 1 1.458 0.000 . 1 . . . . 46 ARG HB2 . 16094 1 236 . 1 1 46 46 ARG HB3 H 1 1.458 0.000 . 1 . . . . 46 ARG HB3 . 16094 1 237 . 1 1 46 46 ARG HD2 H 1 3.074 0.000 . 1 . . . . 46 ARG HD2 . 16094 1 238 . 1 1 46 46 ARG HD3 H 1 3.074 0.000 . 1 . . . . 46 ARG HD3 . 16094 1 239 . 1 1 46 46 ARG HG2 H 1 1.118 0.000 . 2 . . . . 46 ARG HG2 . 16094 1 240 . 1 1 46 46 ARG HG3 H 1 1.056 0.000 . 2 . . . . 46 ARG HG3 . 16094 1 241 . 1 1 47 47 PHE H H 1 9.821 0.000 . 1 . . . . 47 PHE H . 16094 1 242 . 1 1 47 47 PHE HA H 1 4.958 0.000 . 1 . . . . 47 PHE HA . 16094 1 243 . 1 1 47 47 PHE HB2 H 1 3.300 0.000 . 2 . . . . 47 PHE HB2 . 16094 1 244 . 1 1 47 47 PHE HB3 H 1 2.888 0.000 . 2 . . . . 47 PHE HB3 . 16094 1 245 . 1 1 47 47 PHE HD1 H 1 6.933 0.000 . 1 . . . . 47 PHE HD . 16094 1 246 . 1 1 47 47 PHE HD2 H 1 6.933 0.000 . 1 . . . . 47 PHE HD . 16094 1 247 . 1 1 47 47 PHE HE1 H 1 7.561 0.000 . 1 . . . . 47 PHE HE . 16094 1 248 . 1 1 47 47 PHE HE2 H 1 7.561 0.000 . 1 . . . . 47 PHE HE . 16094 1 249 . 1 1 48 48 LYS H H 1 9.851 0.000 . 1 . . . . 48 LYS H . 16094 1 250 . 1 1 48 48 LYS HA H 1 4.366 0.000 . 1 . . . . 48 LYS HA . 16094 1 251 . 1 1 48 48 LYS HB2 H 1 2.039 0.000 . 2 . . . . 48 LYS HB2 . 16094 1 252 . 1 1 48 48 LYS HB3 H 1 1.779 0.000 . 2 . . . . 48 LYS HB3 . 16094 1 253 . 1 1 48 48 LYS HD2 H 1 1.671 0.000 . 2 . . . . 48 LYS HD2 . 16094 1 254 . 1 1 48 48 LYS HD3 H 1 1.593 0.000 . 2 . . . . 48 LYS HD3 . 16094 1 255 . 1 1 48 48 LYS HE2 H 1 3.052 0.000 . 1 . . . . 48 LYS HE2 . 16094 1 256 . 1 1 48 48 LYS HE3 H 1 3.052 0.000 . 1 . . . . 48 LYS HE3 . 16094 1 257 . 1 1 48 48 LYS HG2 H 1 1.365 0.000 . 1 . . . . 48 LYS HG2 . 16094 1 258 . 1 1 48 48 LYS HG3 H 1 1.365 0.000 . 1 . . . . 48 LYS HG3 . 16094 1 259 . 1 1 49 49 THR H H 1 7.212 0.000 . 1 . . . . 49 THR H . 16094 1 260 . 1 1 49 49 THR HA H 1 4.654 0.000 . 1 . . . . 49 THR HA . 16094 1 261 . 1 1 49 49 THR HB H 1 4.491 0.000 . 1 . . . . 49 THR HB . 16094 1 262 . 1 1 49 49 THR HG21 H 1 1.216 0.000 . 1 . . . . 49 THR HG2 . 16094 1 263 . 1 1 49 49 THR HG22 H 1 1.216 0.000 . 1 . . . . 49 THR HG2 . 16094 1 264 . 1 1 49 49 THR HG23 H 1 1.216 0.000 . 1 . . . . 49 THR HG2 . 16094 1 265 . 1 1 50 50 LEU H H 1 8.060 0.000 . 1 . . . . 50 LEU H . 16094 1 266 . 1 1 50 50 LEU HA H 1 2.905 0.000 . 1 . . . . 50 LEU HA . 16094 1 267 . 1 1 50 50 LEU HB2 H 1 1.327 0.000 . 2 . . . . 50 LEU HB2 . 16094 1 268 . 1 1 50 50 LEU HB3 H 1 1.223 0.000 . 2 . . . . 50 LEU HB3 . 16094 1 269 . 1 1 50 50 LEU HD11 H 1 0.801 0.000 . 2 . . . . 50 LEU HD1 . 16094 1 270 . 1 1 50 50 LEU HD12 H 1 0.801 0.000 . 2 . . . . 50 LEU HD1 . 16094 1 271 . 1 1 50 50 LEU HD13 H 1 0.801 0.000 . 2 . . . . 50 LEU HD1 . 16094 1 272 . 1 1 50 50 LEU HD21 H 1 0.762 0.000 . 2 . . . . 50 LEU HD2 . 16094 1 273 . 1 1 50 50 LEU HD22 H 1 0.762 0.000 . 2 . . . . 50 LEU HD2 . 16094 1 274 . 1 1 50 50 LEU HD23 H 1 0.762 0.000 . 2 . . . . 50 LEU HD2 . 16094 1 275 . 1 1 50 50 LEU HG H 1 1.179 0.000 . 1 . . . . 50 LEU HG . 16094 1 276 . 1 1 51 51 GLU H H 1 8.924 0.000 . 1 . . . . 51 GLU H . 16094 1 277 . 1 1 51 51 GLU HA H 1 3.880 0.000 . 1 . . . . 51 GLU HA . 16094 1 278 . 1 1 51 51 GLU HB2 H 1 1.966 0.000 . 2 . . . . 51 GLU HB2 . 16094 1 279 . 1 1 51 51 GLU HB3 H 1 1.842 0.000 . 2 . . . . 51 GLU HB3 . 16094 1 280 . 1 1 51 51 GLU HG2 H 1 2.399 0.000 . 2 . . . . 51 GLU HG2 . 16094 1 281 . 1 1 51 51 GLU HG3 H 1 2.193 0.000 . 2 . . . . 51 GLU HG3 . 16094 1 282 . 1 1 52 52 ASP H H 1 7.863 0.000 . 1 . . . . 52 ASP H . 16094 1 283 . 1 1 52 52 ASP HA H 1 4.357 0.000 . 1 . . . . 52 ASP HA . 16094 1 284 . 1 1 52 52 ASP HB2 H 1 2.810 0.000 . 2 . . . . 52 ASP HB2 . 16094 1 285 . 1 1 52 52 ASP HB3 H 1 2.748 0.000 . 2 . . . . 52 ASP HB3 . 16094 1 286 . 1 1 53 53 CYS H H 1 7.044 0.000 . 1 . . . . 53 CYS H . 16094 1 287 . 1 1 53 53 CYS HA H 1 1.886 0.000 . 1 . . . . 53 CYS HA . 16094 1 288 . 1 1 53 53 CYS HB2 H 1 3.038 0.000 . 2 . . . . 53 CYS HB2 . 16094 1 289 . 1 1 53 53 CYS HB3 H 1 2.672 0.000 . 2 . . . . 53 CYS HB3 . 16094 1 290 . 1 1 54 54 GLU H H 1 8.840 0.000 . 1 . . . . 54 GLU H . 16094 1 291 . 1 1 54 54 GLU HA H 1 3.634 0.000 . 1 . . . . 54 GLU HA . 16094 1 292 . 1 1 54 54 GLU HB2 H 1 2.507 0.000 . 2 . . . . 54 GLU HB2 . 16094 1 293 . 1 1 54 54 GLU HB3 H 1 1.838 0.000 . 2 . . . . 54 GLU HB3 . 16094 1 294 . 1 1 54 54 GLU HG2 H 1 1.926 0.000 . 1 . . . . 54 GLU HG2 . 16094 1 295 . 1 1 54 54 GLU HG3 H 1 1.926 0.000 . 1 . . . . 54 GLU HG3 . 16094 1 296 . 1 1 55 55 ALA H H 1 8.292 0.000 . 1 . . . . 55 ALA H . 16094 1 297 . 1 1 55 55 ALA HA H 1 3.999 0.000 . 1 . . . . 55 ALA HA . 16094 1 298 . 1 1 55 55 ALA HB1 H 1 1.403 0.000 . 1 . . . . 55 ALA HB . 16094 1 299 . 1 1 55 55 ALA HB2 H 1 1.403 0.000 . 1 . . . . 55 ALA HB . 16094 1 300 . 1 1 55 55 ALA HB3 H 1 1.403 0.000 . 1 . . . . 55 ALA HB . 16094 1 301 . 1 1 56 56 THR H H 1 7.184 0.000 . 1 . . . . 56 THR H . 16094 1 302 . 1 1 56 56 THR HA H 1 3.924 0.000 . 1 . . . . 56 THR HA . 16094 1 303 . 1 1 56 56 THR HB H 1 3.724 0.000 . 1 . . . . 56 THR HB . 16094 1 304 . 1 1 56 56 THR HG21 H 1 1.194 0.000 . 1 . . . . 56 THR HG2 . 16094 1 305 . 1 1 56 56 THR HG22 H 1 1.194 0.000 . 1 . . . . 56 THR HG2 . 16094 1 306 . 1 1 56 56 THR HG23 H 1 1.194 0.000 . 1 . . . . 56 THR HG2 . 16094 1 307 . 1 1 57 57 CYS H H 1 7.658 0.000 . 1 . . . . 57 CYS H . 16094 1 308 . 1 1 57 57 CYS HA H 1 4.711 0.000 . 1 . . . . 57 CYS HA . 16094 1 309 . 1 1 57 57 CYS HB2 H 1 1.817 0.000 . 2 . . . . 57 CYS HB2 . 16094 1 310 . 1 1 57 57 CYS HB3 H 1 1.533 0.000 . 2 . . . . 57 CYS HB3 . 16094 1 311 . 1 1 58 58 VAL H H 1 8.253 0.000 . 1 . . . . 58 VAL H . 16094 1 312 . 1 1 58 58 VAL HA H 1 4.138 0.000 . 1 . . . . 58 VAL HA . 16094 1 313 . 1 1 58 58 VAL HB H 1 2.180 0.000 . 1 . . . . 58 VAL HB . 16094 1 314 . 1 1 58 58 VAL HG11 H 1 0.964 0.000 . 1 . . . . 58 VAL HG1 . 16094 1 315 . 1 1 58 58 VAL HG12 H 1 0.964 0.000 . 1 . . . . 58 VAL HG1 . 16094 1 316 . 1 1 58 58 VAL HG13 H 1 0.964 0.000 . 1 . . . . 58 VAL HG1 . 16094 1 317 . 1 1 58 58 VAL HG21 H 1 0.964 0.000 . 1 . . . . 58 VAL HG2 . 16094 1 318 . 1 1 58 58 VAL HG22 H 1 0.964 0.000 . 1 . . . . 58 VAL HG2 . 16094 1 319 . 1 1 58 58 VAL HG23 H 1 0.964 0.000 . 1 . . . . 58 VAL HG2 . 16094 1 320 . 1 1 59 59 THR H H 1 8.143 0.000 . 1 . . . . 59 THR H . 16094 1 321 . 1 1 59 59 THR HA H 1 4.272 0.000 . 1 . . . . 59 THR HA . 16094 1 322 . 1 1 59 59 THR HB H 1 4.172 0.000 . 1 . . . . 59 THR HB . 16094 1 323 . 1 1 59 59 THR HG21 H 1 1.089 0.000 . 1 . . . . 59 THR HG2 . 16094 1 324 . 1 1 59 59 THR HG22 H 1 1.089 0.000 . 1 . . . . 59 THR HG2 . 16094 1 325 . 1 1 59 59 THR HG23 H 1 1.089 0.000 . 1 . . . . 59 THR HG2 . 16094 1 326 . 1 1 60 60 ALA H H 1 8.074 0.000 . 1 . . . . 60 ALA H . 16094 1 327 . 1 1 60 60 ALA HA H 1 4.347 0.000 . 1 . . . . 60 ALA HA . 16094 1 328 . 1 1 60 60 ALA HB1 H 1 1.346 0.000 . 1 . . . . 60 ALA HB . 16094 1 329 . 1 1 60 60 ALA HB2 H 1 1.346 0.000 . 1 . . . . 60 ALA HB . 16094 1 330 . 1 1 60 60 ALA HB3 H 1 1.346 0.000 . 1 . . . . 60 ALA HB . 16094 1 331 . 1 1 61 61 GLU H H 1 7.964 0.000 . 1 . . . . 61 GLU H . 16094 1 332 . 1 1 61 61 GLU HA H 1 4.086 0.000 . 1 . . . . 61 GLU HA . 16094 1 333 . 1 1 61 61 GLU HB2 H 1 2.019 0.000 . 2 . . . . 61 GLU HB2 . 16094 1 334 . 1 1 61 61 GLU HB3 H 1 1.866 0.000 . 2 . . . . 61 GLU HB3 . 16094 1 335 . 1 1 61 61 GLU HG2 H 1 2.024 0.000 . 2 . . . . 61 GLU HG2 . 16094 1 336 . 1 1 61 61 GLU HG3 H 1 2.196 0.000 . 2 . . . . 61 GLU HG3 . 16094 1 stop_ save_