################################### # 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 31209 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _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 1 '2D 1H-1H TOCSY' . . . 31209 1 2 '2D 1H-1H COSY' . . . 31209 1 3 '2D DQF-COSY' . . . 31209 1 4 '2D 1H-1H NOESY' . . . 31209 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 GLY HA2 H 1 3.640 0.000 . 2 . . . . A 1 GLY HA2 . 31209 1 2 . 1 . 1 2 2 PHE H H 1 8.596 0.000 . 1 . . . . A 2 PHE H . 31209 1 3 . 1 . 1 2 2 PHE HA H 1 3.950 0.001 . 1 . . . . A 2 PHE HA . 31209 1 4 . 1 . 1 2 2 PHE HB2 H 1 2.929 0.001 . 2 . . . . A 2 PHE HB2 . 31209 1 5 . 1 . 1 2 2 PHE HB3 H 1 2.749 0.001 . 2 . . . . A 2 PHE HB3 . 31209 1 6 . 1 . 1 2 2 PHE HD1 H 1 6.838 0.001 . 3 . . . . A 2 PHE HD1 . 31209 1 7 . 1 . 1 2 2 PHE HD2 H 1 6.838 0.001 . 3 . . . . A 2 PHE HD2 . 31209 1 8 . 1 . 1 2 2 PHE HE1 H 1 7.169 0.000 . 3 . . . . A 2 PHE HE1 . 31209 1 9 . 1 . 1 2 2 PHE HE2 H 1 7.169 0.000 . 3 . . . . A 2 PHE HE2 . 31209 1 10 . 1 . 1 3 3 GLY H H 1 8.115 0.000 . 1 . . . . A 3 GLY H . 31209 1 11 . 1 . 1 3 3 GLY HA2 H 1 3.488 0.000 . 2 . . . . A 3 GLY HA2 . 31209 1 12 . 1 . 1 4 4 CYS H H 1 7.801 0.002 . 1 . . . . A 4 CYS H . 31209 1 13 . 1 . 1 4 4 CYS HA H 1 4.720 0.002 . 1 . . . . A 4 CYS HA . 31209 1 14 . 1 . 1 4 4 CYS HB2 H 1 2.610 0.004 . 2 . . . . A 4 CYS HB2 . 31209 1 15 . 1 . 1 4 4 CYS HB3 H 1 2.382 0.002 . 2 . . . . A 4 CYS HB3 . 31209 1 16 . 1 . 1 5 5 ASN H H 1 8.048 0.001 . 1 . . . . A 5 ASN H . 31209 1 17 . 1 . 1 5 5 ASN HA H 1 5.161 0.001 . 1 . . . . A 5 ASN HA . 31209 1 18 . 1 . 1 5 5 ASN HB2 H 1 3.060 0.001 . 2 . . . . A 5 ASN HB2 . 31209 1 19 . 1 . 1 5 5 ASN HB3 H 1 2.713 0.001 . 2 . . . . A 5 ASN HB3 . 31209 1 20 . 1 . 1 5 5 ASN HD21 H 1 6.940 0.000 . 2 . . . . A 5 ASN HD21 . 31209 1 21 . 1 . 1 5 5 ASN HD22 H 1 7.414 0.000 . 2 . . . . A 5 ASN HD22 . 31209 1 22 . 1 . 1 6 6 GLY H H 1 7.290 0.002 . 1 . . . . A 6 GLY H . 31209 1 23 . 1 . 1 6 6 GLY HA2 H 1 1.675 0.002 . 2 . . . . A 6 GLY HA2 . 31209 1 24 . 1 . 1 7 7 PRO HA H 1 3.960 0.001 . 1 . . . . A 7 PRO HA . 31209 1 25 . 1 . 1 7 7 PRO HB2 H 1 1.843 0.000 . 2 . . . . A 7 PRO HB2 . 31209 1 26 . 1 . 1 7 7 PRO HB3 H 1 1.190 0.000 . 2 . . . . A 7 PRO HB3 . 31209 1 27 . 1 . 1 7 7 PRO HG2 H 1 1.771 0.002 . 2 . . . . A 7 PRO HG2 . 31209 1 28 . 1 . 1 7 7 PRO HG3 H 1 1.493 0.002 . 2 . . . . A 7 PRO HG3 . 31209 1 29 . 1 . 1 7 7 PRO HD2 H 1 3.132 0.003 . 2 . . . . A 7 PRO HD2 . 31209 1 30 . 1 . 1 7 7 PRO HD3 H 1 3.070 0.001 . 2 . . . . A 7 PRO HD3 . 31209 1 31 . 1 . 1 8 8 TRP H H 1 7.642 0.002 . 1 . . . . A 8 TRP H . 31209 1 32 . 1 . 1 8 8 TRP HA H 1 4.748 0.002 . 1 . . . . A 8 TRP HA . 31209 1 33 . 1 . 1 8 8 TRP HB2 H 1 3.466 0.002 . 2 . . . . A 8 TRP HB2 . 31209 1 34 . 1 . 1 8 8 TRP HB3 H 1 3.153 0.002 . 2 . . . . A 8 TRP HB3 . 31209 1 35 . 1 . 1 8 8 TRP HD1 H 1 7.188 0.000 . 1 . . . . A 8 TRP HD1 . 31209 1 36 . 1 . 1 8 8 TRP HE1 H 1 10.148 0.000 . 1 . . . . A 8 TRP HE1 . 31209 1 37 . 1 . 1 8 8 TRP HE3 H 1 7.683 0.000 . 1 . . . . A 8 TRP HE3 . 31209 1 38 . 1 . 1 8 8 TRP HZ2 H 1 7.551 0.000 . 1 . . . . A 8 TRP HZ2 . 31209 1 39 . 1 . 1 8 8 TRP HZ3 H 1 7.219 0.000 . 1 . . . . A 8 TRP HZ3 . 31209 1 40 . 1 . 1 8 8 TRP HH2 H 1 7.312 0.000 . 1 . . . . A 8 TRP HH2 . 31209 1 41 . 1 . 1 9 9 ASN H H 1 7.661 0.000 . 1 . . . . A 9 ASN H . 31209 1 42 . 1 . 1 9 9 ASN HA H 1 4.716 0.001 . 1 . . . . A 9 ASN HA . 31209 1 43 . 1 . 1 9 9 ASN HB2 H 1 2.784 0.000 . 2 . . . . A 9 ASN HB2 . 31209 1 44 . 1 . 1 9 9 ASN HB3 H 1 2.647 0.000 . 2 . . . . A 9 ASN HB3 . 31209 1 45 . 1 . 1 9 9 ASN HD21 H 1 6.969 0.000 . 2 . . . . A 9 ASN HD21 . 31209 1 46 . 1 . 1 9 9 ASN HD22 H 1 7.585 0.000 . 2 . . . . A 9 ASN HD22 . 31209 1 47 . 1 . 1 10 10 GLU H H 1 8.464 0.000 . 1 . . . . A 10 GLU H . 31209 1 48 . 1 . 1 10 10 GLU HA H 1 4.734 0.000 . 1 . . . . A 10 GLU HA . 31209 1 49 . 1 . 1 10 10 GLU HB2 H 1 1.962 0.002 . 2 . . . . A 10 GLU HB2 . 31209 1 50 . 1 . 1 10 10 GLU HG2 H 1 2.277 0.003 . 2 . . . . A 10 GLU HG2 . 31209 1 51 . 1 . 1 11 11 ASP H H 1 8.481 0.000 . 1 . . . . A 11 ASP H . 31209 1 52 . 1 . 1 11 11 ASP HA H 1 4.887 0.001 . 1 . . . . A 11 ASP HA . 31209 1 53 . 1 . 1 11 11 ASP HB2 H 1 2.583 0.001 . 2 . . . . A 11 ASP HB2 . 31209 1 54 . 1 . 1 12 12 ASP H H 1 8.342 0.000 . 1 . . . . A 12 ASP H . 31209 1 55 . 1 . 1 12 12 ASP HA H 1 4.242 0.002 . 1 . . . . A 12 ASP HA . 31209 1 56 . 1 . 1 12 12 ASP HB2 H 1 2.724 0.001 . 2 . . . . A 12 ASP HB2 . 31209 1 57 . 1 . 1 13 13 2ML H H 1 8.225 0.000 . 1 . . . . A 13 2ML H . 31209 1 58 . 1 . 1 13 13 2ML HB11 H 1 1.784 0.001 . 2 . . . . A 13 2ML HB11 . 31209 1 59 . 1 . 1 13 13 2ML HB12 H 1 2.059 0.000 . 2 . . . . A 13 2ML HB12 . 31209 1 60 . 1 . 1 13 13 2ML HB21 H 1 1.571 0.000 . 1 . . . . A 13 2ML HB21 . 31209 1 61 . 1 . 1 13 13 2ML HB22 H 1 1.571 0.000 . 1 . . . . A 13 2ML HB22 . 31209 1 62 . 1 . 1 13 13 2ML HB23 H 1 1.571 0.000 . 1 . . . . A 13 2ML HB23 . 31209 1 63 . 1 . 1 13 13 2ML HD11 H 1 0.830 0.000 . 2 . . . . A 13 2ML HD11 . 31209 1 64 . 1 . 1 13 13 2ML HD12 H 1 0.830 0.000 . 2 . . . . A 13 2ML HD12 . 31209 1 65 . 1 . 1 13 13 2ML HD13 H 1 0.830 0.000 . 2 . . . . A 13 2ML HD13 . 31209 1 66 . 1 . 1 13 13 2ML HD21 H 1 0.990 0.000 . 2 . . . . A 13 2ML HD21 . 31209 1 67 . 1 . 1 13 13 2ML HD22 H 1 0.990 0.000 . 2 . . . . A 13 2ML HD22 . 31209 1 68 . 1 . 1 13 13 2ML HD23 H 1 0.990 0.000 . 2 . . . . A 13 2ML HD23 . 31209 1 69 . 1 . 1 13 13 2ML HG H 1 1.707 0.001 . 1 . . . . A 13 2ML HG . 31209 1 70 . 1 . 1 14 14 ARG H H 1 7.462 0.001 . 1 . . . . A 14 ARG H . 31209 1 71 . 1 . 1 14 14 ARG HA H 1 3.993 0.002 . 1 . . . . A 14 ARG HA . 31209 1 72 . 1 . 1 14 14 ARG HB2 H 1 1.832 0.001 . 2 . . . . A 14 ARG HB2 . 31209 1 73 . 1 . 1 14 14 ARG HB3 H 1 1.802 0.000 . 2 . . . . A 14 ARG HB3 . 31209 1 74 . 1 . 1 14 14 ARG HG2 H 1 1.594 0.000 . 2 . . . . A 14 ARG HG2 . 31209 1 75 . 1 . 1 14 14 ARG HG3 H 1 1.594 0.000 . 2 . . . . A 14 ARG HG3 . 31209 1 76 . 1 . 1 14 14 ARG HD2 H 1 3.165 0.001 . 2 . . . . A 14 ARG HD2 . 31209 1 77 . 1 . 1 14 14 ARG HD3 H 1 3.165 0.001 . 2 . . . . A 14 ARG HD3 . 31209 1 78 . 1 . 1 14 14 ARG HE H 1 7.344 0.002 . 1 . . . . A 14 ARG HE . 31209 1 79 . 1 . 1 15 15 CYS H H 1 7.700 0.001 . 1 . . . . A 15 CYS H . 31209 1 80 . 1 . 1 15 15 CYS HA H 1 4.960 0.001 . 1 . . . . A 15 CYS HA . 31209 1 81 . 1 . 1 15 15 CYS HB2 H 1 3.756 0.001 . 2 . . . . A 15 CYS HB2 . 31209 1 82 . 1 . 1 15 15 CYS HB3 H 1 2.615 0.000 . 2 . . . . A 15 CYS HB3 . 31209 1 83 . 1 . 1 16 16 HIS H H 1 8.595 0.001 . 1 . . . . A 16 HIS H . 31209 1 84 . 1 . 1 16 16 HIS HA H 1 3.747 0.000 . 1 . . . . A 16 HIS HA . 31209 1 85 . 1 . 1 16 16 HIS HB2 H 1 3.484 0.000 . 2 . . . . A 16 HIS HB2 . 31209 1 86 . 1 . 1 16 16 HIS HB3 H 1 3.450 0.000 . 2 . . . . A 16 HIS HB3 . 31209 1 87 . 1 . 1 16 16 HIS HD2 H 1 7.217 0.000 . 1 . . . . A 16 HIS HD2 . 31209 1 88 . 1 . 1 16 16 HIS HE1 H 1 8.329 0.000 . 1 . . . . A 16 HIS HE1 . 31209 1 89 . 1 . 1 17 17 AIB H H 1 8.186 0.001 . 1 . . . . A 17 AIB H . 31209 1 90 . 1 . 1 17 17 AIB HB11 H 1 1.417 0.000 . 2 . . . . A 17 AIB HB11 . 31209 1 91 . 1 . 1 17 17 AIB HB12 H 1 1.417 0.000 . 2 . . . . A 17 AIB HB12 . 31209 1 92 . 1 . 1 17 17 AIB HB13 H 1 1.417 0.000 . 2 . . . . A 17 AIB HB13 . 31209 1 93 . 1 . 1 17 17 AIB HB21 H 1 1.600 0.000 . 2 . . . . A 17 AIB HB21 . 31209 1 94 . 1 . 1 17 17 AIB HB22 H 1 1.600 0.000 . 2 . . . . A 17 AIB HB22 . 31209 1 95 . 1 . 1 17 17 AIB HB23 H 1 1.600 0.000 . 2 . . . . A 17 AIB HB23 . 31209 1 96 . 1 . 1 18 18 HIS H H 1 7.649 0.002 . 1 . . . . A 18 HIS H . 31209 1 97 . 1 . 1 18 18 HIS HA H 1 4.203 0.002 . 1 . . . . A 18 HIS HA . 31209 1 98 . 1 . 1 18 18 HIS HB2 H 1 3.500 0.001 . 2 . . . . A 18 HIS HB2 . 31209 1 99 . 1 . 1 18 18 HIS HB3 H 1 3.188 0.002 . 2 . . . . A 18 HIS HB3 . 31209 1 100 . 1 . 1 18 18 HIS HD2 H 1 6.665 0.000 . 1 . . . . A 18 HIS HD2 . 31209 1 101 . 1 . 1 18 18 HIS HE1 H 1 8.119 0.000 . 1 . . . . A 18 HIS HE1 . 31209 1 102 . 1 . 1 19 19 CYS H H 1 8.379 0.000 . 1 . . . . A 19 CYS H . 31209 1 103 . 1 . 1 19 19 CYS HA H 1 3.604 0.003 . 1 . . . . A 19 CYS HA . 31209 1 104 . 1 . 1 19 19 CYS HB2 H 1 2.246 0.003 . 2 . . . . A 19 CYS HB2 . 31209 1 105 . 1 . 1 19 19 CYS HB3 H 1 2.089 0.002 . 2 . . . . A 19 CYS HB3 . 31209 1 106 . 1 . 1 20 20 A1BEB H H 1 8.035 0.001 . 1 . . . . A 20 A1BEB H . 31209 1 107 . 1 . 1 20 20 A1BEB HB2 H 1 1.148 0.001 . 2 . . . . A 20 A1BEB HB2 . 31209 1 108 . 1 . 1 20 20 A1BEB HB21 H 1 0.990 0.000 . . . . . . A 20 A1BEB HB21 . 31209 1 109 . 1 . 1 20 20 A1BEB HB22 H 1 0.990 0.000 . . . . . . A 20 A1BEB HB22 . 31209 1 110 . 1 . 1 20 20 A1BEB HB23 H 1 0.990 0.000 . . . . . . A 20 A1BEB HB23 . 31209 1 111 . 1 . 1 20 20 A1BEB HB3 H 1 1.782 0.004 . 2 . . . . A 20 A1BEB HB3 . 31209 1 112 . 1 . 1 20 20 A1BEB HD2 H 1 1.486 0.001 . . . . . . A 20 A1BEB HD2 . 31209 1 113 . 1 . 1 20 20 A1BEB HD3 H 1 1.486 0.001 . . . . . . A 20 A1BEB HD3 . 31209 1 114 . 1 . 1 20 20 A1BEB HE2 H 1 2.944 0.002 . . . . . . A 20 A1BEB HE2 . 31209 1 115 . 1 . 1 20 20 A1BEB HE3 H 1 2.944 0.002 . . . . . . A 20 A1BEB HE3 . 31209 1 116 . 1 . 1 20 20 A1BEB HG2 H 1 1.080 0.004 . 2 . . . . A 20 A1BEB HG2 . 31209 1 117 . 1 . 1 20 20 A1BEB HG3 H 1 1.282 0.001 . 2 . . . . A 20 A1BEB HG3 . 31209 1 118 . 1 . 1 21 21 SER H H 1 7.029 0.001 . 1 . . . . A 21 SER H . 31209 1 119 . 1 . 1 21 21 SER HA H 1 4.206 0.003 . 1 . . . . A 21 SER HA . 31209 1 120 . 1 . 1 21 21 SER HB2 H 1 3.977 0.003 . 2 . . . . A 21 SER HB2 . 31209 1 121 . 1 . 1 21 21 SER HB3 H 1 3.890 0.000 . 2 . . . . A 21 SER HB3 . 31209 1 122 . 1 . 1 22 22 ILE H H 1 7.791 0.001 . 1 . . . . A 22 ILE H . 31209 1 123 . 1 . 1 22 22 ILE HA H 1 3.946 0.002 . 1 . . . . A 22 ILE HA . 31209 1 124 . 1 . 1 22 22 ILE HB H 1 1.995 0.002 . 1 . . . . A 22 ILE HB . 31209 1 125 . 1 . 1 22 22 ILE HG12 H 1 1.331 0.002 . 2 . . . . A 22 ILE HG12 . 31209 1 126 . 1 . 1 22 22 ILE HG13 H 1 0.711 0.004 . 2 . . . . A 22 ILE HG13 . 31209 1 127 . 1 . 1 22 22 ILE HG21 H 1 0.769 0.000 . 1 . . . . A 22 ILE HG21 . 31209 1 128 . 1 . 1 22 22 ILE HG22 H 1 0.769 0.000 . 1 . . . . A 22 ILE HG22 . 31209 1 129 . 1 . 1 22 22 ILE HG23 H 1 0.769 0.000 . 1 . . . . A 22 ILE HG23 . 31209 1 130 . 1 . 1 22 22 ILE HD11 H 1 0.474 0.001 . 1 . . . . A 22 ILE HD11 . 31209 1 131 . 1 . 1 22 22 ILE HD12 H 1 0.474 0.001 . 1 . . . . A 22 ILE HD12 . 31209 1 132 . 1 . 1 22 22 ILE HD13 H 1 0.474 0.001 . 1 . . . . A 22 ILE HD13 . 31209 1 133 . 1 . 1 23 23 LYS H H 1 8.220 0.000 . 1 . . . . A 23 LYS H . 31209 1 134 . 1 . 1 23 23 LYS HA H 1 3.911 0.003 . 1 . . . . A 23 LYS HA . 31209 1 135 . 1 . 1 23 23 LYS HB2 H 1 1.755 0.000 . 2 . . . . A 23 LYS HB2 . 31209 1 136 . 1 . 1 23 23 LYS HB3 H 1 1.657 0.000 . 2 . . . . A 23 LYS HB3 . 31209 1 137 . 1 . 1 23 23 LYS HG2 H 1 1.453 0.000 . 2 . . . . A 23 LYS HG2 . 31209 1 138 . 1 . 1 23 23 LYS HG3 H 1 1.332 0.000 . 2 . . . . A 23 LYS HG3 . 31209 1 139 . 1 . 1 23 23 LYS HD2 H 1 1.659 0.000 . 2 . . . . A 23 LYS HD2 . 31209 1 140 . 1 . 1 23 23 LYS HD3 H 1 1.659 0.000 . 2 . . . . A 23 LYS HD3 . 31209 1 141 . 1 . 1 23 23 LYS HE2 H 1 2.963 0.001 . 2 . . . . A 23 LYS HE2 . 31209 1 142 . 1 . 1 23 23 LYS HE3 H 1 2.963 0.001 . 2 . . . . A 23 LYS HE3 . 31209 1 143 . 1 . 1 23 23 LYS HZ1 H 1 7.503 0.000 . 1 . . . . A 23 LYS HZ1 . 31209 1 144 . 1 . 1 23 23 LYS HZ2 H 1 7.503 0.000 . 1 . . . . A 23 LYS HZ2 . 31209 1 145 . 1 . 1 23 23 LYS HZ3 H 1 7.503 0.000 . 1 . . . . A 23 LYS HZ3 . 31209 1 146 . 1 . 1 24 24 GLY H H 1 8.630 0.000 . 1 . . . . A 24 GLY H . 31209 1 147 . 1 . 1 24 24 GLY HA2 H 1 3.494 0.002 . 2 . . . . A 24 GLY HA2 . 31209 1 148 . 1 . 1 25 25 TYR H H 1 7.728 0.002 . 1 . . . . A 25 TYR H . 31209 1 149 . 1 . 1 25 25 TYR HA H 1 4.852 0.002 . 1 . . . . A 25 TYR HA . 31209 1 150 . 1 . 1 25 25 TYR HB2 H 1 3.166 0.002 . 2 . . . . A 25 TYR HB2 . 31209 1 151 . 1 . 1 25 25 TYR HB3 H 1 2.770 0.001 . 2 . . . . A 25 TYR HB3 . 31209 1 152 . 1 . 1 25 25 TYR HD1 H 1 6.975 0.002 . 3 . . . . A 25 TYR HD1 . 31209 1 153 . 1 . 1 25 25 TYR HD2 H 1 6.975 0.002 . 3 . . . . A 25 TYR HD2 . 31209 1 154 . 1 . 1 25 25 TYR HE1 H 1 6.678 0.000 . 3 . . . . A 25 TYR HE1 . 31209 1 155 . 1 . 1 25 25 TYR HE2 H 1 6.678 0.000 . 3 . . . . A 25 TYR HE2 . 31209 1 156 . 1 . 1 26 26 LYS H H 1 9.624 0.000 . 1 . . . . A 26 LYS H . 31209 1 157 . 1 . 1 26 26 LYS HA H 1 4.438 0.001 . 1 . . . . A 26 LYS HA . 31209 1 158 . 1 . 1 26 26 LYS HB2 H 1 1.815 0.000 . 2 . . . . A 26 LYS HB2 . 31209 1 159 . 1 . 1 26 26 LYS HB3 H 1 1.706 0.000 . 2 . . . . A 26 LYS HB3 . 31209 1 160 . 1 . 1 26 26 LYS HG2 H 1 1.427 0.000 . 2 . . . . A 26 LYS HG2 . 31209 1 161 . 1 . 1 26 26 LYS HG3 H 1 1.427 0.000 . 2 . . . . A 26 LYS HG3 . 31209 1 162 . 1 . 1 26 26 LYS HD2 H 1 1.768 0.004 . 2 . . . . A 26 LYS HD2 . 31209 1 163 . 1 . 1 26 26 LYS HD3 H 1 1.768 0.004 . 2 . . . . A 26 LYS HD3 . 31209 1 164 . 1 . 1 26 26 LYS HE2 H 1 3.055 0.002 . 2 . . . . A 26 LYS HE2 . 31209 1 165 . 1 . 1 26 26 LYS HE3 H 1 3.055 0.002 . 2 . . . . A 26 LYS HE3 . 31209 1 166 . 1 . 1 27 27 GLY H H 1 7.247 0.001 . 1 . . . . A 27 GLY H . 31209 1 167 . 1 . 1 27 27 GLY HA2 H 1 3.472 0.000 . 2 . . . . A 27 GLY HA2 . 31209 1 168 . 1 . 1 28 28 GLY H H 1 8.352 0.000 . 1 . . . . A 28 GLY H . 31209 1 169 . 1 . 1 28 28 GLY HA2 H 1 4.160 0.002 . 2 . . . . A 28 GLY HA2 . 31209 1 170 . 1 . 1 29 29 TYR H H 1 8.469 0.001 . 1 . . . . A 29 TYR H . 31209 1 171 . 1 . 1 29 29 TYR HA H 1 4.804 0.000 . 1 . . . . A 29 TYR HA . 31209 1 172 . 1 . 1 29 29 TYR HB2 H 1 3.249 0.001 . 2 . . . . A 29 TYR HB2 . 31209 1 173 . 1 . 1 29 29 TYR HB3 H 1 3.110 0.003 . 2 . . . . A 29 TYR HB3 . 31209 1 174 . 1 . 1 29 29 TYR HD1 H 1 7.031 0.003 . 3 . . . . A 29 TYR HD1 . 31209 1 175 . 1 . 1 29 29 TYR HD2 H 1 7.031 0.003 . 3 . . . . A 29 TYR HD2 . 31209 1 176 . 1 . 1 29 29 TYR HE1 H 1 6.633 0.000 . 3 . . . . A 29 TYR HE1 . 31209 1 177 . 1 . 1 29 29 TYR HE2 H 1 6.633 0.000 . 3 . . . . A 29 TYR HE2 . 31209 1 178 . 1 . 1 30 30 CYS H H 1 8.886 0.002 . 1 . . . . A 30 CYS H . 31209 1 179 . 1 . 1 30 30 CYS HA H 1 5.496 0.001 . 1 . . . . A 30 CYS HA . 31209 1 180 . 1 . 1 30 30 CYS HB2 H 1 2.852 0.000 . 2 . . . . A 30 CYS HB2 . 31209 1 181 . 1 . 1 30 30 CYS HB3 H 1 2.646 0.001 . 2 . . . . A 30 CYS HB3 . 31209 1 182 . 1 . 1 31 31 ALA H H 1 9.393 0.001 . 1 . . . . A 31 ALA H . 31209 1 183 . 1 . 1 31 31 ALA HA H 1 4.668 0.003 . 1 . . . . A 31 ALA HA . 31209 1 184 . 1 . 1 31 31 ALA HB1 H 1 1.461 0.000 . 1 . . . . A 31 ALA HB1 . 31209 1 185 . 1 . 1 31 31 ALA HB2 H 1 1.461 0.000 . 1 . . . . A 31 ALA HB2 . 31209 1 186 . 1 . 1 31 31 ALA HB3 H 1 1.461 0.000 . 1 . . . . A 31 ALA HB3 . 31209 1 187 . 1 . 1 32 32 LYS H H 1 8.822 0.001 . 1 . . . . A 32 LYS H . 31209 1 188 . 1 . 1 32 32 LYS HA H 1 3.993 0.003 . 1 . . . . A 32 LYS HA . 31209 1 189 . 1 . 1 32 32 LYS HB2 H 1 1.949 0.002 . 2 . . . . A 32 LYS HB2 . 31209 1 190 . 1 . 1 32 32 LYS HB3 H 1 1.848 0.002 . 2 . . . . A 32 LYS HB3 . 31209 1 191 . 1 . 1 32 32 LYS HG2 H 1 1.486 0.002 . 2 . . . . A 32 LYS HG2 . 31209 1 192 . 1 . 1 32 32 LYS HG3 H 1 1.414 0.002 . 2 . . . . A 32 LYS HG3 . 31209 1 193 . 1 . 1 32 32 LYS HD2 H 1 1.705 0.001 . 2 . . . . A 32 LYS HD2 . 31209 1 194 . 1 . 1 32 32 LYS HD3 H 1 1.705 0.001 . 2 . . . . A 32 LYS HD3 . 31209 1 195 . 1 . 1 32 32 LYS HE2 H 1 2.992 0.001 . 2 . . . . A 32 LYS HE2 . 31209 1 196 . 1 . 1 32 32 LYS HE3 H 1 2.992 0.001 . 2 . . . . A 32 LYS HE3 . 31209 1 197 . 1 . 1 33 33 GLY H H 1 8.803 0.001 . 1 . . . . A 33 GLY H . 31209 1 198 . 1 . 1 33 33 GLY HA2 H 1 3.648 0.001 . 2 . . . . A 33 GLY HA2 . 31209 1 199 . 1 . 1 34 34 GLY H H 1 7.657 0.002 . 1 . . . . A 34 GLY H . 31209 1 200 . 1 . 1 34 34 GLY HA2 H 1 3.259 0.000 . 2 . . . . A 34 GLY HA2 . 31209 1 201 . 1 . 1 35 35 PHE H H 1 7.703 0.000 . 1 . . . . A 35 PHE H . 31209 1 202 . 1 . 1 35 35 PHE HA H 1 4.341 0.001 . 1 . . . . A 35 PHE HA . 31209 1 203 . 1 . 1 35 35 PHE HB2 H 1 3.322 0.002 . 2 . . . . A 35 PHE HB2 . 31209 1 204 . 1 . 1 35 35 PHE HB3 H 1 2.744 0.002 . 2 . . . . A 35 PHE HB3 . 31209 1 205 . 1 . 1 35 35 PHE HD1 H 1 7.314 0.001 . 3 . . . . A 35 PHE HD1 . 31209 1 206 . 1 . 1 35 35 PHE HD2 H 1 7.314 0.001 . 3 . . . . A 35 PHE HD2 . 31209 1 207 . 1 . 1 35 35 PHE HE1 H 1 7.370 0.000 . 3 . . . . A 35 PHE HE1 . 31209 1 208 . 1 . 1 35 35 PHE HE2 H 1 7.370 0.000 . 3 . . . . A 35 PHE HE2 . 31209 1 209 . 1 . 1 36 36 VAL H H 1 7.608 0.001 . 1 . . . . A 36 VAL H . 31209 1 210 . 1 . 1 36 36 VAL HA H 1 4.399 0.001 . 1 . . . . A 36 VAL HA . 31209 1 211 . 1 . 1 36 36 VAL HB H 1 1.764 0.002 . 1 . . . . A 36 VAL HB . 31209 1 212 . 1 . 1 36 36 VAL HG11 H 1 0.825 0.001 . 2 . . . . A 36 VAL HG11 . 31209 1 213 . 1 . 1 36 36 VAL HG12 H 1 0.825 0.001 . 2 . . . . A 36 VAL HG12 . 31209 1 214 . 1 . 1 36 36 VAL HG13 H 1 0.825 0.001 . 2 . . . . A 36 VAL HG13 . 31209 1 215 . 1 . 1 36 36 VAL HG21 H 1 0.937 0.000 . 2 . . . . A 36 VAL HG21 . 31209 1 216 . 1 . 1 36 36 VAL HG22 H 1 0.937 0.000 . 2 . . . . A 36 VAL HG22 . 31209 1 217 . 1 . 1 36 36 VAL HG23 H 1 0.937 0.000 . 2 . . . . A 36 VAL HG23 . 31209 1 218 . 1 . 1 37 37 CYS H H 1 8.793 0.001 . 1 . . . . A 37 CYS H . 31209 1 219 . 1 . 1 37 37 CYS HA H 1 5.123 0.001 . 1 . . . . A 37 CYS HA . 31209 1 220 . 1 . 1 37 37 CYS HB2 H 1 3.282 0.001 . 2 . . . . A 37 CYS HB2 . 31209 1 221 . 1 . 1 37 37 CYS HB3 H 1 2.616 0.001 . 2 . . . . A 37 CYS HB3 . 31209 1 222 . 1 . 1 38 38 LYS H H 1 9.063 0.001 . 1 . . . . A 38 LYS H . 31209 1 223 . 1 . 1 38 38 LYS HA H 1 4.349 0.001 . 1 . . . . A 38 LYS HA . 31209 1 224 . 1 . 1 38 38 LYS HB2 H 1 1.595 0.001 . 2 . . . . A 38 LYS HB2 . 31209 1 225 . 1 . 1 38 38 LYS HB3 H 1 1.595 0.001 . 2 . . . . A 38 LYS HB3 . 31209 1 226 . 1 . 1 38 38 LYS HG2 H 1 1.232 0.004 . 2 . . . . A 38 LYS HG2 . 31209 1 227 . 1 . 1 38 38 LYS HG3 H 1 1.176 0.000 . 2 . . . . A 38 LYS HG3 . 31209 1 228 . 1 . 1 38 38 LYS HD2 H 1 1.612 0.002 . 2 . . . . A 38 LYS HD2 . 31209 1 229 . 1 . 1 38 38 LYS HD3 H 1 1.612 0.002 . 2 . . . . A 38 LYS HD3 . 31209 1 230 . 1 . 1 38 38 LYS HE2 H 1 2.997 0.000 . 2 . . . . A 38 LYS HE2 . 31209 1 231 . 1 . 1 38 38 LYS HE3 H 1 2.997 0.000 . 2 . . . . A 38 LYS HE3 . 31209 1 232 . 1 . 1 39 39 CYS H H 1 8.149 0.001 . 1 . . . . A 39 CYS H . 31209 1 233 . 1 . 1 39 39 CYS HA H 1 5.331 0.000 . 1 . . . . A 39 CYS HA . 31209 1 234 . 1 . 1 39 39 CYS HB2 H 1 1.966 0.002 . 2 . . . . A 39 CYS HB2 . 31209 1 235 . 1 . 1 39 39 CYS HB3 H 1 1.391 0.001 . 2 . . . . A 39 CYS HB3 . 31209 1 236 . 1 . 1 40 40 TYR H H 1 8.313 0.001 . 1 . . . . A 40 TYR H . 31209 1 237 . 1 . 1 40 40 TYR HA H 1 5.030 0.003 . 1 . . . . A 40 TYR HA . 31209 1 238 . 1 . 1 40 40 TYR HB2 H 1 3.216 0.001 . 2 . . . . A 40 TYR HB2 . 31209 1 239 . 1 . 1 40 40 TYR HB3 H 1 2.851 0.001 . 2 . . . . A 40 TYR HB3 . 31209 1 240 . 1 . 1 40 40 TYR HD1 H 1 7.018 0.002 . 3 . . . . A 40 TYR HD1 . 31209 1 241 . 1 . 1 40 40 TYR HD2 H 1 7.018 0.002 . 3 . . . . A 40 TYR HD2 . 31209 1 242 . 1 . 1 40 40 TYR HE1 H 1 6.674 0.000 . 3 . . . . A 40 TYR HE1 . 31209 1 243 . 1 . 1 40 40 TYR HE2 H 1 6.674 0.000 . 3 . . . . A 40 TYR HE2 . 31209 1 244 . 1 . 1 41 41 NH2 HN1 H 1 7.905 0.001 . 2 . . . . A 41 NH2 HN1 . 31209 1 245 . 1 . 1 41 41 NH2 HN2 H 1 8.277 0.001 . 2 . . . . A 41 NH2 HN2 . 31209 1 stop_ save_