################################### # 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_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 26308 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name Dual-Cex-H2O_shifts _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 $chem_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 2 '2D 1H-1H TOCSY' 1 $sample_1 isotropic 26308 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . 26308 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_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 HIS HA H 1 4.33 0.01 . 1 . . . . . 1 HIS HA . 26308 1 2 . 1 . 1 1 1 HIS HB2 H 1 3.36 0.01 . 2 . . . . . 1 HIS HB2 . 26308 1 3 . 1 . 1 1 1 HIS HB3 H 1 3.36 0.01 . 2 . . . . . 1 HIS HB3 . 26308 1 4 . 1 . 1 1 1 HIS HD1 H 1 7.34 0.01 . 1 . . . . . 1 HIS HD1 . 26308 1 5 . 1 . 1 1 1 HIS HE1 H 1 8.47 0.01 . 1 . . . . . 1 HIS HE1 . 26308 1 6 . 1 . 1 2 2 SER HA H 1 4.54 0.01 . 1 . . . . . 2 SER HA . 26308 1 7 . 1 . 1 2 2 SER HB2 H 1 3.88 0.01 . 2 . . . . . 2 SER HB2 . 26308 1 8 . 1 . 1 2 2 SER HB3 H 1 3.88 0.01 . 2 . . . . . 2 SER HB3 . 26308 1 9 . 1 . 1 3 3 GLN H H 1 8.69 0.01 . 1 . . . . . 3 GLN H . 26308 1 10 . 1 . 1 3 3 GLN HA H 1 4.42 0.01 . 1 . . . . . 3 GLN HA . 26308 1 11 . 1 . 1 3 3 GLN HB2 H 1 2.16 0.01 . 2 . . . . . 3 GLN HB2 . 26308 1 12 . 1 . 1 3 3 GLN HB3 H 1 2.03 0.01 . 2 . . . . . 3 GLN HB3 . 26308 1 13 . 1 . 1 3 3 GLN HE21 H 1 7.48 0.01 . 2 . . . . . 3 GLN HE21 . 26308 1 14 . 1 . 1 3 3 GLN HE22 H 1 6.83 0.01 . 2 . . . . . 3 GLN HE22 . 26308 1 15 . 1 . 1 3 3 GLN HG2 H 1 2.41 0.01 . 2 . . . . . 3 GLN HG2 . 26308 1 16 . 1 . 1 3 3 GLN HG3 H 1 2.41 0.01 . 2 . . . . . 3 GLN HG3 . 26308 1 17 . 1 . 1 4 4 GLY H H 1 8.41 0.01 . 1 . . . . . 4 GLY H . 26308 1 18 . 1 . 1 4 4 GLY HA2 H 1 3.98 0.01 . 2 . . . . . 4 GLY HA2 . 26308 1 19 . 1 . 1 4 4 GLY HA3 H 1 3.98 0.01 . 2 . . . . . 4 GLY HA3 . 26308 1 20 . 1 . 1 5 5 THR H H 1 7.95 0.01 . 1 . . . . . 5 THR H . 26308 1 21 . 1 . 1 5 5 THR HA H 1 4.31 0.01 . 1 . . . . . 5 THR HA . 26308 1 22 . 1 . 1 5 5 THR HB H 1 4.12 0.01 . 1 . . . . . 5 THR HB . 26308 1 23 . 1 . 1 5 5 THR HG21 H 1 1.12 0.01 . 1 . . . . . 5 THR MG . 26308 1 24 . 1 . 1 5 5 THR HG22 H 1 1.12 0.01 . 1 . . . . . 5 THR MG . 26308 1 25 . 1 . 1 5 5 THR HG23 H 1 1.12 0.01 . 1 . . . . . 5 THR MG . 26308 1 26 . 1 . 1 6 6 PHE H H 1 8.31 0.01 . 1 . . . . . 6 PHE H . 26308 1 27 . 1 . 1 6 6 PHE HA H 1 4.73 0.01 . 1 . . . . . 6 PHE HA . 26308 1 28 . 1 . 1 6 6 PHE HB2 H 1 3.17 0.01 . 2 . . . . . 6 PHE HB2 . 26308 1 29 . 1 . 1 6 6 PHE HB3 H 1 3.03 0.01 . 2 . . . . . 6 PHE HB3 . 26308 1 30 . 1 . 1 6 6 PHE HD1 H 1 7.25 0.01 . 3 . . . . . 6 PHE HD1 . 26308 1 31 . 1 . 1 6 6 PHE HD2 H 1 7.25 0.01 . 3 . . . . . 6 PHE HD2 . 26308 1 32 . 1 . 1 6 6 PHE HE1 H 1 7.33 0.01 . 3 . . . . . 6 PHE HE1 . 26308 1 33 . 1 . 1 6 6 PHE HE2 H 1 7.33 0.01 . 3 . . . . . 6 PHE HE2 . 26308 1 34 . 1 . 1 6 6 PHE HZ H 1 7.28 0.01 . 1 . . . . . 6 PHE HZ . 26308 1 35 . 1 . 1 7 7 THR H H 1 8.00 0.01 . 1 . . . . . 7 THR H . 26308 1 36 . 1 . 1 7 7 THR HA H 1 4.33 0.01 . 1 . . . . . 7 THR HA . 26308 1 37 . 1 . 1 7 7 THR HB H 1 4.20 0.01 . 1 . . . . . 7 THR HB . 26308 1 38 . 1 . 1 7 7 THR HG21 H 1 1.17 0.01 . 1 . . . . . 7 THR MG . 26308 1 39 . 1 . 1 7 7 THR HG22 H 1 1.17 0.01 . 1 . . . . . 7 THR MG . 26308 1 40 . 1 . 1 7 7 THR HG23 H 1 1.17 0.01 . 1 . . . . . 7 THR MG . 26308 1 41 . 1 . 1 8 8 SER H H 1 8.21 0.01 . 1 . . . . . 8 SER H . 26308 1 42 . 1 . 1 8 8 SER HA H 1 4.42 0.01 . 1 . . . . . 8 SER HA . 26308 1 43 . 1 . 1 8 8 SER HB2 H 1 3.91 0.01 . 2 . . . . . 8 SER HB2 . 26308 1 44 . 1 . 1 8 8 SER HB3 H 1 3.85 0.01 . 2 . . . . . 8 SER HB3 . 26308 1 45 . 1 . 1 9 9 ASP H H 1 8.32 0.01 . 1 . . . . . 9 ASP H . 26308 1 46 . 1 . 1 9 9 ASP HA H 1 4.62 0.01 . 1 . . . . . 9 ASP HA . 26308 1 47 . 1 . 1 9 9 ASP HB2 H 1 2.76 0.01 . 2 . . . . . 9 ASP HB2 . 26308 1 48 . 1 . 1 9 9 ASP HB3 H 1 2.66 0.01 . 2 . . . . . 9 ASP HB3 . 26308 1 49 . 1 . 1 10 10 LEU H H 1 8.19 0.01 . 1 . . . . . 10 LEU H . 26308 1 50 . 1 . 1 10 10 LEU HA H 1 4.26 0.01 . 1 . . . . . 10 LEU HA . 26308 1 51 . 1 . 1 10 10 LEU HB2 H 1 1.65 0.01 . 2 . . . . . 10 LEU HB2 . 26308 1 52 . 1 . 1 10 10 LEU HB3 H 1 1.65 0.01 . 2 . . . . . 10 LEU HB3 . 26308 1 53 . 1 . 1 10 10 LEU HD11 H 1 0.92 0.01 . 2 . . . . . 10 LEU MD1 . 26308 1 54 . 1 . 1 10 10 LEU HD12 H 1 0.92 0.01 . 2 . . . . . 10 LEU MD1 . 26308 1 55 . 1 . 1 10 10 LEU HD13 H 1 0.92 0.01 . 2 . . . . . 10 LEU MD1 . 26308 1 56 . 1 . 1 10 10 LEU HD21 H 1 0.85 0.01 . 2 . . . . . 10 LEU MD2 . 26308 1 57 . 1 . 1 10 10 LEU HD22 H 1 0.85 0.01 . 2 . . . . . 10 LEU MD2 . 26308 1 58 . 1 . 1 10 10 LEU HD23 H 1 0.85 0.01 . 2 . . . . . 10 LEU MD2 . 26308 1 59 . 1 . 1 10 10 LEU HG H 1 1.65 0.01 . 1 . . . . . 10 LEU HG . 26308 1 60 . 1 . 1 11 11 SER H H 1 8.21 0.01 . 1 . . . . . 11 SER H . 26308 1 61 . 1 . 1 11 11 SER HA H 1 4.31 0.01 . 1 . . . . . 11 SER HA . 26308 1 62 . 1 . 1 11 11 SER HB2 H 1 3.95 0.01 . 2 . . . . . 11 SER HB2 . 26308 1 63 . 1 . 1 11 11 SER HB3 H 1 3.90 0.01 . 2 . . . . . 11 SER HB3 . 26308 1 64 . 1 . 1 12 12 LYS H H 1 7.92 0.01 . 1 . . . . . 12 LYS H . 26308 1 65 . 1 . 1 12 12 LYS HA H 1 4.30 0.01 . 1 . . . . . 12 LYS HA . 26308 1 66 . 1 . 1 12 12 LYS HB2 H 1 1.89 0.01 . 2 . . . . . 12 LYS HB2 . 26308 1 67 . 1 . 1 12 12 LYS HB3 H 1 1.78 0.01 . 2 . . . . . 12 LYS HB3 . 26308 1 68 . 1 . 1 12 12 LYS HD2 H 1 1.68 0.01 . 2 . . . . . 12 LYS HD2 . 26308 1 69 . 1 . 1 12 12 LYS HD3 H 1 1.68 0.01 . 2 . . . . . 12 LYS HD3 . 26308 1 70 . 1 . 1 12 12 LYS HE2 H 1 2.99 0.01 . 2 . . . . . 12 LYS HE2 . 26308 1 71 . 1 . 1 12 12 LYS HE3 H 1 2.99 0.01 . 2 . . . . . 12 LYS HE3 . 26308 1 72 . 1 . 1 12 12 LYS HG2 H 1 1.47 0.01 . 2 . . . . . 12 LYS HG2 . 26308 1 73 . 1 . 1 12 12 LYS HG3 H 1 1.41 0.01 . 2 . . . . . 12 LYS HG3 . 26308 1 74 . 1 . 1 13 13 GLN H H 1 8.06 0.01 . 1 . . . . . 13 GLN H . 26308 1 75 . 1 . 1 13 13 GLN HA H 1 4.29 0.01 . 1 . . . . . 13 GLN HA . 26308 1 76 . 1 . 1 13 13 GLN HB2 H 1 2.13 0.01 . 2 . . . . . 13 GLN HB2 . 26308 1 77 . 1 . 1 13 13 GLN HB3 H 1 2.01 0.01 . 2 . . . . . 13 GLN HB3 . 26308 1 78 . 1 . 1 13 13 GLN HE21 H 1 7.44 0.01 . 2 . . . . . 13 GLN HE21 . 26308 1 79 . 1 . 1 13 13 GLN HE22 H 1 6.78 0.01 . 2 . . . . . 13 GLN HE22 . 26308 1 80 . 1 . 1 13 13 GLN HG2 H 1 2.58 0.01 . 2 . . . . . 13 GLN HG2 . 26308 1 81 . 1 . 1 13 13 GLN HG3 H 1 2.52 0.01 . 2 . . . . . 13 GLN HG3 . 26308 1 82 . 1 . 1 14 14 MET H H 1 8.21 0.01 . 1 . . . . . 14 MET H . 26308 1 83 . 1 . 1 14 14 MET HA H 1 4.41 0.01 . 1 . . . . . 14 MET HA . 26308 1 84 . 1 . 1 14 14 MET HB2 H 1 2.07 0.01 . 2 . . . . . 14 MET HB2 . 26308 1 85 . 1 . 1 14 14 MET HB3 H 1 2.02 0.01 . 2 . . . . . 14 MET HB3 . 26308 1 86 . 1 . 1 14 14 MET HE1 H 1 2.03 0.01 . 1 . . . . . 14 MET ME . 26308 1 87 . 1 . 1 14 14 MET HE2 H 1 2.03 0.01 . 1 . . . . . 14 MET ME . 26308 1 88 . 1 . 1 14 14 MET HE3 H 1 2.03 0.01 . 1 . . . . . 14 MET ME . 26308 1 89 . 1 . 1 14 14 MET HG2 H 1 2.58 0.01 . 2 . . . . . 14 MET HG2 . 26308 1 90 . 1 . 1 14 14 MET HG3 H 1 2.52 0.01 . 2 . . . . . 14 MET HG3 . 26308 1 91 . 1 . 1 15 15 ASP H H 1 8.22 0.01 . 1 . . . . . 15 ASP H . 26308 1 92 . 1 . 1 15 15 ASP HA H 1 4.61 0.01 . 1 . . . . . 15 ASP HA . 26308 1 93 . 1 . 1 15 15 ASP HB2 H 1 2.75 0.01 . 2 . . . . . 15 ASP HB2 . 26308 1 94 . 1 . 1 15 15 ASP HB3 H 1 2.75 0.01 . 2 . . . . . 15 ASP HB3 . 26308 1 95 . 1 . 1 16 16 SER H H 1 8.21 0.01 . 1 . . . . . 16 SER H . 26308 1 96 . 1 . 1 16 16 SER HA H 1 4.33 0.01 . 1 . . . . . 16 SER HA . 26308 1 97 . 1 . 1 16 16 SER HB2 H 1 3.96 0.01 . 2 . . . . . 16 SER HB2 . 26308 1 98 . 1 . 1 16 16 SER HB3 H 1 3.91 0.01 . 2 . . . . . 16 SER HB3 . 26308 1 99 . 1 . 1 17 17 ARG H H 1 8.19 0.01 . 1 . . . . . 17 ARG H . 26308 1 100 . 1 . 1 17 17 ARG HA H 1 4.26 0.01 . 1 . . . . . 17 ARG HA . 26308 1 101 . 1 . 1 17 17 ARG HB2 H 1 1.91 0.01 . 2 . . . . . 17 ARG HB2 . 26308 1 102 . 1 . 1 17 17 ARG HB3 H 1 1.85 0.01 . 2 . . . . . 17 ARG HB3 . 26308 1 103 . 1 . 1 17 17 ARG HD2 H 1 3.19 0.01 . 2 . . . . . 17 ARG HD2 . 26308 1 104 . 1 . 1 17 17 ARG HD3 H 1 3.19 0.01 . 2 . . . . . 17 ARG HD3 . 26308 1 105 . 1 . 1 17 17 ARG HE H 1 7.37 0.01 . 1 . . . . . 17 ARG HE . 26308 1 106 . 1 . 1 17 17 ARG HG2 H 1 1.67 0.01 . 2 . . . . . 17 ARG HG2 . 26308 1 107 . 1 . 1 17 17 ARG HG3 H 1 1.62 0.01 . 2 . . . . . 17 ARG HG3 . 26308 1 108 . 1 . 1 18 18 ARG H H 1 8.09 0.01 . 1 . . . . . 18 ARG H . 26308 1 109 . 1 . 1 18 18 ARG HA H 1 4.28 0.01 . 1 . . . . . 18 ARG HA . 26308 1 110 . 1 . 1 18 18 ARG HB2 H 1 1.89 0.01 . 2 . . . . . 18 ARG HB2 . 26308 1 111 . 1 . 1 18 18 ARG HB3 H 1 1.83 0.01 . 2 . . . . . 18 ARG HB3 . 26308 1 112 . 1 . 1 18 18 ARG HD2 H 1 3.18 0.01 . 2 . . . . . 18 ARG HD2 . 26308 1 113 . 1 . 1 18 18 ARG HD3 H 1 3.18 0.01 . 2 . . . . . 18 ARG HD3 . 26308 1 114 . 1 . 1 18 18 ARG HE H 1 7.26 0.01 . 1 . . . . . 18 ARG HE . 26308 1 115 . 1 . 1 18 18 ARG HG2 H 1 1.70 0.01 . 2 . . . . . 18 ARG HG2 . 26308 1 116 . 1 . 1 18 18 ARG HG3 H 1 1.64 0.01 . 2 . . . . . 18 ARG HG3 . 26308 1 117 . 1 . 1 19 19 ALA H H 1 8.18 0.01 . 1 . . . . . 19 ALA H . 26308 1 118 . 1 . 1 19 19 ALA HA H 1 4.26 0.01 . 1 . . . . . 19 ALA HA . 26308 1 119 . 1 . 1 19 19 ALA HB1 H 1 1.48 0.01 . 1 . . . . . 19 ALA MB . 26308 1 120 . 1 . 1 19 19 ALA HB2 H 1 1.48 0.01 . 1 . . . . . 19 ALA MB . 26308 1 121 . 1 . 1 19 19 ALA HB3 H 1 1.48 0.01 . 1 . . . . . 19 ALA MB . 26308 1 122 . 1 . 1 20 20 GLN H H 1 8.25 0.01 . 1 . . . . . 20 GLN H . 26308 1 123 . 1 . 1 20 20 GLN HA H 1 4.18 0.01 . 1 . . . . . 20 GLN HA . 26308 1 124 . 1 . 1 20 20 GLN HB2 H 1 2.12 0.01 . 2 . . . . . 20 GLN HB2 . 26308 1 125 . 1 . 1 20 20 GLN HB3 H 1 2.12 0.01 . 2 . . . . . 20 GLN HB3 . 26308 1 126 . 1 . 1 20 20 GLN HE21 H 1 7.52 0.01 . 2 . . . . . 20 GLN HE21 . 26308 1 127 . 1 . 1 20 20 GLN HE22 H 1 6.79 0.01 . 2 . . . . . 20 GLN HE22 . 26308 1 128 . 1 . 1 20 20 GLN HG2 H 1 2.43 0.01 . 2 . . . . . 20 GLN HG2 . 26308 1 129 . 1 . 1 20 20 GLN HG3 H 1 2.43 0.01 . 2 . . . . . 20 GLN HG3 . 26308 1 130 . 1 . 1 21 21 ASP H H 1 8.24 0.01 . 1 . . . . . 21 ASP H . 26308 1 131 . 1 . 1 21 21 ASP HA H 1 4.52 0.01 . 1 . . . . . 21 ASP HA . 26308 1 132 . 1 . 1 21 21 ASP HB2 H 1 2.77 0.01 . 2 . . . . . 21 ASP HB2 . 26308 1 133 . 1 . 1 21 21 ASP HB3 H 1 2.67 0.01 . 2 . . . . . 21 ASP HB3 . 26308 1 134 . 1 . 1 22 22 PHE H H 1 8.14 0.01 . 1 . . . . . 22 PHE H . 26308 1 135 . 1 . 1 22 22 PHE HA H 1 4.33 0.01 . 1 . . . . . 22 PHE HA . 26308 1 136 . 1 . 1 22 22 PHE HB2 H 1 3.19 0.01 . 2 . . . . . 22 PHE HB2 . 26308 1 137 . 1 . 1 22 22 PHE HB3 H 1 3.14 0.01 . 2 . . . . . 22 PHE HB3 . 26308 1 138 . 1 . 1 22 22 PHE HD1 H 1 7.17 0.01 . 3 . . . . . 22 PHE HD1 . 26308 1 139 . 1 . 1 22 22 PHE HD2 H 1 7.17 0.01 . 3 . . . . . 22 PHE HD2 . 26308 1 140 . 1 . 1 22 22 PHE HE1 H 1 7.32 0.01 . 3 . . . . . 22 PHE HE1 . 26308 1 141 . 1 . 1 22 22 PHE HE2 H 1 7.32 0.01 . 3 . . . . . 22 PHE HE2 . 26308 1 142 . 1 . 1 22 22 PHE HZ H 1 7.34 0.01 . 1 . . . . . 22 PHE HZ . 26308 1 143 . 1 . 1 23 23 ILE H H 1 7.97 0.01 . 1 . . . . . 23 ILE H . 26308 1 144 . 1 . 1 23 23 ILE HA H 1 3.79 0.01 . 1 . . . . . 23 ILE HA . 26308 1 145 . 1 . 1 23 23 ILE HB H 1 1.98 0.01 . 1 . . . . . 23 ILE HB . 26308 1 146 . 1 . 1 23 23 ILE HD11 H 1 0.89 0.01 . 1 . . . . . 23 ILE MD . 26308 1 147 . 1 . 1 23 23 ILE HD12 H 1 0.89 0.01 . 1 . . . . . 23 ILE MD . 26308 1 148 . 1 . 1 23 23 ILE HD13 H 1 0.89 0.01 . 1 . . . . . 23 ILE MD . 26308 1 149 . 1 . 1 23 23 ILE HG12 H 1 1.65 0.01 . 2 . . . . . 23 ILE HG12 . 26308 1 150 . 1 . 1 23 23 ILE HG13 H 1 1.30 0.01 . 2 . . . . . 23 ILE HG13 . 26308 1 151 . 1 . 1 23 23 ILE HG21 H 1 0.88 0.01 . 1 . . . . . 23 ILE MG . 26308 1 152 . 1 . 1 23 23 ILE HG22 H 1 0.88 0.01 . 1 . . . . . 23 ILE MG . 26308 1 153 . 1 . 1 23 23 ILE HG23 H 1 0.88 0.01 . 1 . . . . . 23 ILE MG . 26308 1 154 . 1 . 1 24 24 GLU H H 1 8.12 0.01 . 1 . . . . . 24 GLU H . 26308 1 155 . 1 . 1 24 24 GLU HA H 1 4.07 0.01 . 1 . . . . . 24 GLU HA . 26308 1 156 . 1 . 1 24 24 GLU HB2 H 1 2.09 0.01 . 2 . . . . . 24 GLU HB2 . 26308 1 157 . 1 . 1 24 24 GLU HB3 H 1 2.09 0.01 . 2 . . . . . 24 GLU HB3 . 26308 1 158 . 1 . 1 24 24 GLU HG2 H 1 2.39 0.01 . 2 . . . . . 24 GLU HG2 . 26308 1 159 . 1 . 1 24 24 GLU HG3 H 1 2.39 0.01 . 2 . . . . . 24 GLU HG3 . 26308 1 160 . 1 . 1 25 25 TRP H H 1 7.97 0.01 . 1 . . . . . 25 TRP H . 26308 1 161 . 1 . 1 25 25 TRP HA H 1 4.38 0.01 . 1 . . . . . 25 TRP HA . 26308 1 162 . 1 . 1 25 25 TRP HB2 H 1 3.45 0.01 . 2 . . . . . 25 TRP HB2 . 26308 1 163 . 1 . 1 25 25 TRP HB3 H 1 3.24 0.01 . 2 . . . . . 25 TRP HB3 . 26308 1 164 . 1 . 1 25 25 TRP HD1 H 1 7.18 0.01 . 1 . . . . . 25 TRP HD1 . 26308 1 165 . 1 . 1 25 25 TRP HE1 H 1 9.88 0.01 . 1 . . . . . 25 TRP HE1 . 26308 1 166 . 1 . 1 25 25 TRP HE3 H 1 7.32 0.01 . 1 . . . . . 25 TRP HE3 . 26308 1 167 . 1 . 1 25 25 TRP HH2 H 1 7.17 0.01 . 1 . . . . . 25 TRP HH2 . 26308 1 168 . 1 . 1 25 25 TRP HZ2 H 1 7.36 0.01 . 1 . . . . . 25 TRP HZ2 . 26308 1 169 . 1 . 1 25 25 TRP HZ3 H 1 7.07 0.01 . 1 . . . . . 25 TRP HZ3 . 26308 1 170 . 1 . 1 26 26 LEU H H 1 8.16 0.01 . 1 . . . . . 26 LEU H . 26308 1 171 . 1 . 1 26 26 LEU HA H 1 3.68 0.01 . 1 . . . . . 26 LEU HA . 26308 1 172 . 1 . 1 26 26 LEU HB2 H 1 1.70 0.01 . 2 . . . . . 26 LEU HB2 . 26308 1 173 . 1 . 1 26 26 LEU HB3 H 1 1.46 0.01 . 2 . . . . . 26 LEU HB3 . 26308 1 174 . 1 . 1 26 26 LEU HD11 H 1 0.84 0.01 . 2 . . . . . 26 LEU MD1 . 26308 1 175 . 1 . 1 26 26 LEU HD12 H 1 0.84 0.01 . 2 . . . . . 26 LEU MD1 . 26308 1 176 . 1 . 1 26 26 LEU HD13 H 1 0.84 0.01 . 2 . . . . . 26 LEU MD1 . 26308 1 177 . 1 . 1 26 26 LEU HD21 H 1 0.80 0.01 . 2 . . . . . 26 LEU MD2 . 26308 1 178 . 1 . 1 26 26 LEU HD22 H 1 0.80 0.01 . 2 . . . . . 26 LEU MD2 . 26308 1 179 . 1 . 1 26 26 LEU HD23 H 1 0.80 0.01 . 2 . . . . . 26 LEU MD2 . 26308 1 180 . 1 . 1 26 26 LEU HG H 1 1.53 0.01 . 1 . . . . . 26 LEU HG . 26308 1 181 . 1 . 1 27 27 LYS H H 1 8.11 0.01 . 1 . . . . . 27 LYS H . 26308 1 182 . 1 . 1 27 27 LYS HA H 1 4.05 0.01 . 1 . . . . . 27 LYS HA . 26308 1 183 . 1 . 1 27 27 LYS HB2 H 1 1.85 0.01 . 2 . . . . . 27 LYS HB2 . 26308 1 184 . 1 . 1 27 27 LYS HB3 H 1 1.85 0.01 . 2 . . . . . 27 LYS HB3 . 26308 1 185 . 1 . 1 27 27 LYS HD2 H 1 1.65 0.01 . 2 . . . . . 27 LYS HD2 . 26308 1 186 . 1 . 1 27 27 LYS HD3 H 1 1.65 0.01 . 2 . . . . . 27 LYS HD3 . 26308 1 187 . 1 . 1 27 27 LYS HE2 H 1 2.94 0.01 . 2 . . . . . 27 LYS HE2 . 26308 1 188 . 1 . 1 27 27 LYS HE3 H 1 2.94 0.01 . 2 . . . . . 27 LYS HE3 . 26308 1 189 . 1 . 1 27 27 LYS HG2 H 1 1.52 0.01 . 2 . . . . . 27 LYS HG2 . 26308 1 190 . 1 . 1 27 27 LYS HG3 H 1 1.40 0.01 . 2 . . . . . 27 LYS HG3 . 26308 1 191 . 1 . 1 28 28 ASN H H 1 7.85 0.01 . 1 . . . . . 28 ASN H . 26308 1 192 . 1 . 1 28 28 ASN HA H 1 4.74 0.01 . 1 . . . . . 28 ASN HA . 26308 1 193 . 1 . 1 28 28 ASN HB2 H 1 2.91 0.01 . 2 . . . . . 28 ASN HB2 . 26308 1 194 . 1 . 1 28 28 ASN HB3 H 1 2.75 0.01 . 2 . . . . . 28 ASN HB3 . 26308 1 195 . 1 . 1 28 28 ASN HD21 H 1 7.54 0.01 . 2 . . . . . 28 ASN HD21 . 26308 1 196 . 1 . 1 28 28 ASN HD22 H 1 6.88 0.01 . 2 . . . . . 28 ASN HD22 . 26308 1 197 . 1 . 1 29 29 GLY H H 1 7.84 0.01 . 1 . . . . . 29 GLY H . 26308 1 198 . 1 . 1 29 29 GLY HA2 H 1 4.03 0.01 . 2 . . . . . 29 GLY HA2 . 26308 1 199 . 1 . 1 29 29 GLY HA3 H 1 3.71 0.01 . 2 . . . . . 29 GLY HA3 . 26308 1 200 . 1 . 1 30 30 GLY H H 1 7.98 0.01 . 1 . . . . . 30 GLY H . 26308 1 201 . 1 . 1 30 30 GLY HA2 H 1 3.33 0.01 . 2 . . . . . 30 GLY HA2 . 26308 1 202 . 1 . 1 30 30 GLY HA3 H 1 2.75 0.01 . 2 . . . . . 30 GLY HA3 . 26308 1 203 . 1 . 1 31 31 PRO HA H 1 4.46 0.01 . 1 . . . . . 31 PRO HA . 26308 1 204 . 1 . 1 31 31 PRO HB2 H 1 2.34 0.01 . 2 . . . . . 31 PRO HB2 . 26308 1 205 . 1 . 1 31 31 PRO HB3 H 1 1.98 0.01 . 2 . . . . . 31 PRO HB3 . 26308 1 206 . 1 . 1 31 31 PRO HD2 H 1 3.58 0.01 . 2 . . . . . 31 PRO HD2 . 26308 1 207 . 1 . 1 31 31 PRO HD3 H 1 3.22 0.01 . 2 . . . . . 31 PRO HD3 . 26308 1 208 . 1 . 1 31 31 PRO HG2 H 1 2.00 0.01 . 2 . . . . . 31 PRO HG2 . 26308 1 209 . 1 . 1 31 31 PRO HG3 H 1 2.00 0.01 . 2 . . . . . 31 PRO HG3 . 26308 1 210 . 1 . 1 32 32 SER H H 1 8.06 0.01 . 1 . . . . . 32 SER H . 26308 1 211 . 1 . 1 32 32 SER HA H 1 4.45 0.01 . 1 . . . . . 32 SER HA . 26308 1 212 . 1 . 1 32 32 SER HB2 H 1 3.92 0.01 . 2 . . . . . 32 SER HB2 . 26308 1 213 . 1 . 1 32 32 SER HB3 H 1 3.89 0.01 . 2 . . . . . 32 SER HB3 . 26308 1 214 . 1 . 1 33 33 SER H H 1 8.12 0.01 . 1 . . . . . 33 SER H . 26308 1 215 . 1 . 1 33 33 SER HA H 1 4.41 0.01 . 1 . . . . . 33 SER HA . 26308 1 216 . 1 . 1 33 33 SER HB2 H 1 3.94 0.01 . 2 . . . . . 33 SER HB2 . 26308 1 217 . 1 . 1 33 33 SER HB3 H 1 3.80 0.01 . 2 . . . . . 33 SER HB3 . 26308 1 218 . 1 . 1 34 34 GLY H H 1 8.11 0.01 . 1 . . . . . 34 GLY H . 26308 1 219 . 1 . 1 34 34 GLY HA2 H 1 4.09 0.01 . 2 . . . . . 34 GLY HA2 . 26308 1 220 . 1 . 1 34 34 GLY HA3 H 1 3.90 0.01 . 2 . . . . . 34 GLY HA3 . 26308 1 221 . 1 . 1 35 35 ALA H H 1 7.96 0.01 . 1 . . . . . 35 ALA H . 26308 1 222 . 1 . 1 35 35 ALA HA H 1 4.67 0.01 . 1 . . . . . 35 ALA HA . 26308 1 223 . 1 . 1 35 35 ALA HB1 H 1 1.38 0.01 . 1 . . . . . 35 ALA MB . 26308 1 224 . 1 . 1 35 35 ALA HB2 H 1 1.38 0.01 . 1 . . . . . 35 ALA MB . 26308 1 225 . 1 . 1 35 35 ALA HB3 H 1 1.38 0.01 . 1 . . . . . 35 ALA MB . 26308 1 226 . 1 . 1 36 36 PRO HA H 1 4.61 0.01 . 1 . . . . . 36 PRO HA . 26308 1 227 . 1 . 1 36 36 PRO HB2 H 1 2.22 0.01 . 2 . . . . . 36 PRO HB2 . 26308 1 228 . 1 . 1 36 36 PRO HB3 H 1 1.83 0.01 . 2 . . . . . 36 PRO HB3 . 26308 1 229 . 1 . 1 36 36 PRO HD2 H 1 3.80 0.01 . 2 . . . . . 36 PRO HD2 . 26308 1 230 . 1 . 1 36 36 PRO HD3 H 1 3.62 0.01 . 2 . . . . . 36 PRO HD3 . 26308 1 231 . 1 . 1 36 36 PRO HG2 H 1 2.00 0.01 . 2 . . . . . 36 PRO HG2 . 26308 1 232 . 1 . 1 36 36 PRO HG3 H 1 2.00 0.01 . 2 . . . . . 36 PRO HG3 . 26308 1 233 . 1 . 1 37 37 PRO HA H 1 3.93 0.01 . 1 . . . . . 37 PRO HA . 26308 1 234 . 1 . 1 37 37 PRO HB2 H 1 1.69 0.01 . 2 . . . . . 37 PRO HB2 . 26308 1 235 . 1 . 1 37 37 PRO HB3 H 1 1.69 0.01 . 2 . . . . . 37 PRO HB3 . 26308 1 236 . 1 . 1 37 37 PRO HD2 H 1 3.65 0.01 . 2 . . . . . 37 PRO HD2 . 26308 1 237 . 1 . 1 37 37 PRO HD3 H 1 3.51 0.01 . 2 . . . . . 37 PRO HD3 . 26308 1 238 . 1 . 1 37 37 PRO HG2 H 1 1.90 0.01 . 2 . . . . . 37 PRO HG2 . 26308 1 239 . 1 . 1 37 37 PRO HG3 H 1 1.86 0.01 . 2 . . . . . 37 PRO HG3 . 26308 1 240 . 1 . 1 38 38 PRO HA H 1 4.38 0.01 . 1 . . . . . 38 PRO HA . 26308 1 241 . 1 . 1 38 38 PRO HB2 H 1 2.26 0.01 . 2 . . . . . 38 PRO HB2 . 26308 1 242 . 1 . 1 38 38 PRO HB3 H 1 1.90 0.01 . 2 . . . . . 38 PRO HB3 . 26308 1 243 . 1 . 1 38 38 PRO HD2 H 1 3.45 0.01 . 2 . . . . . 38 PRO HD2 . 26308 1 244 . 1 . 1 38 38 PRO HD3 H 1 3.29 0.01 . 2 . . . . . 38 PRO HD3 . 26308 1 245 . 1 . 1 38 38 PRO HG2 H 1 1.90 0.01 . 2 . . . . . 38 PRO HG2 . 26308 1 246 . 1 . 1 38 38 PRO HG3 H 1 1.90 0.01 . 2 . . . . . 38 PRO HG3 . 26308 1 247 . 1 . 1 39 39 SER H H 1 8.16 0.01 . 1 . . . . . 39 SER H . 26308 1 248 . 1 . 1 39 39 SER HA H 1 4.35 0.01 . 1 . . . . . 39 SER HA . 26308 1 249 . 1 . 1 39 39 SER HB2 H 1 3.87 0.01 . 2 . . . . . 39 SER HB2 . 26308 1 250 . 1 . 1 39 39 SER HB3 H 1 3.82 0.01 . 2 . . . . . 39 SER HB3 . 26308 1 stop_ save_