################################### # 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 36040 _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 $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 NOESY' 1 $sample_1 isotropic 36040 1 2 '2D TOCSY' 1 $sample_1 isotropic 36040 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 GLN HA H 1 4.385 0.000 . 1 . . . . A 1 GLN HA . 36040 1 2 . 1 1 1 1 GLN HB2 H 1 1.654 0.000 . . . . . . A 1 GLN HB2 . 36040 1 3 . 1 1 1 1 GLN HB3 H 1 1.654 0.000 . . . . . . A 1 GLN HB3 . 36040 1 4 . 1 1 1 1 GLN HG2 H 1 2.294 0.000 . . . . . . A 1 GLN HG2 . 36040 1 5 . 1 1 1 1 GLN HG3 H 1 2.294 0.000 . . . . . . A 1 GLN HG3 . 36040 1 6 . 1 1 2 2 ASN H H 1 8.538 0.001 . 1 . . . . A 2 ASN H . 36040 1 7 . 1 1 2 2 ASN HA H 1 4.680 0.001 . 1 . . . . A 2 ASN HA . 36040 1 8 . 1 1 2 2 ASN HB2 H 1 2.829 0.009 . . . . . . A 2 ASN HB2 . 36040 1 9 . 1 1 2 2 ASN HB3 H 1 2.719 0.000 . . . . . . A 2 ASN HB3 . 36040 1 10 . 1 1 3 3 CYS H H 1 8.136 0.002 . 1 . . . . A 3 CYS H . 36040 1 11 . 1 1 3 3 CYS HA H 1 4.762 0.001 . 1 . . . . A 3 CYS HA . 36040 1 12 . 1 1 3 3 CYS HB2 H 1 2.998 0.008 . . . . . . A 3 CYS HB2 . 36040 1 13 . 1 1 3 3 CYS HB3 H 1 2.719 0.002 . . . . . . A 3 CYS HB3 . 36040 1 14 . 1 1 4 4 GLY H H 1 8.303 0.000 . 1 . . . . A 4 GLY H . 36040 1 15 . 1 1 4 4 GLY HA2 H 1 3.861 0.003 . . . . . . A 4 GLY HA2 . 36040 1 16 . 1 1 4 4 GLY HA3 H 1 3.661 0.003 . . . . . . A 4 GLY HA3 . 36040 1 17 . 1 1 5 5 ARG H H 1 9.549 0.001 . 1 . . . . A 5 ARG H . 36040 1 18 . 1 1 5 5 ARG HA H 1 4.048 0.001 . 1 . . . . A 5 ARG HA . 36040 1 19 . 1 1 5 5 ARG HB2 H 1 1.821 0.001 . . . . . . A 5 ARG HB2 . 36040 1 20 . 1 1 5 5 ARG HB3 H 1 1.745 0.005 . . . . . . A 5 ARG HB3 . 36040 1 21 . 1 1 5 5 ARG HG2 H 1 1.665 0.002 . . . . . . A 5 ARG HG2 . 36040 1 22 . 1 1 5 5 ARG HG3 H 1 1.390 0.003 . . . . . . A 5 ARG HG3 . 36040 1 23 . 1 1 6 6 GLN H H 1 9.017 0.001 . 1 . . . . A 6 GLN H . 36040 1 24 . 1 1 6 6 GLN HA H 1 4.075 0.001 . 1 . . . . A 6 GLN HA . 36040 1 25 . 1 1 6 6 GLN HB2 H 1 1.975 0.005 . . . . . . A 6 GLN HB2 . 36040 1 26 . 1 1 6 6 GLN HB3 H 1 1.943 0.002 . . . . . . A 6 GLN HB3 . 36040 1 27 . 1 1 6 6 GLN HG2 H 1 2.671 0.002 . . . . . . A 6 GLN HG2 . 36040 1 28 . 1 1 6 6 GLN HG3 H 1 2.370 0.001 . . . . . . A 6 GLN HG3 . 36040 1 29 . 1 1 6 6 GLN HE21 H 1 7.616 0.004 . . . . . . A 6 GLN HE21 . 36040 1 30 . 1 1 6 6 GLN HE22 H 1 6.577 0.002 . . . . . . A 6 GLN HE22 . 36040 1 31 . 1 1 7 7 ALA H H 1 7.774 0.001 . 1 . . . . A 7 ALA H . 36040 1 32 . 1 1 7 7 ALA HA H 1 4.528 0.001 . 1 . . . . A 7 ALA HA . 36040 1 33 . 1 1 7 7 ALA HB1 H 1 0.748 0.001 . 1 . . . . A 7 ALA HB1 . 36040 1 34 . 1 1 7 7 ALA HB2 H 1 0.748 0.001 . 1 . . . . A 7 ALA HB2 . 36040 1 35 . 1 1 7 7 ALA HB3 H 1 0.748 0.001 . 1 . . . . A 7 ALA HB3 . 36040 1 36 . 1 1 8 8 GLY H H 1 8.278 0.001 . 1 . . . . A 8 GLY H . 36040 1 37 . 1 1 8 8 GLY HA2 H 1 3.736 0.003 . . . . . . A 8 GLY HA2 . 36040 1 38 . 1 1 8 8 GLY HA3 H 1 3.669 0.000 . . . . . . A 8 GLY HA3 . 36040 1 39 . 1 1 9 9 ASN H H 1 8.243 0.006 . 1 . . . . A 9 ASN H . 36040 1 40 . 1 1 9 9 ASN HA H 1 3.661 0.006 . 1 . . . . A 9 ASN HA . 36040 1 41 . 1 1 9 9 ASN HB2 H 1 2.938 0.000 . . . . . . A 9 ASN HB2 . 36040 1 42 . 1 1 9 9 ASN HB3 H 1 2.885 0.000 . . . . . . A 9 ASN HB3 . 36040 1 43 . 1 1 10 10 ARG H H 1 6.997 0.001 . 1 . . . . A 10 ARG H . 36040 1 44 . 1 1 10 10 ARG HA H 1 4.142 0.002 . 1 . . . . A 10 ARG HA . 36040 1 45 . 1 1 10 10 ARG HB2 H 1 1.788 0.001 . . . . . . A 10 ARG HB2 . 36040 1 46 . 1 1 10 10 ARG HB3 H 1 1.788 0.001 . . . . . . A 10 ARG HB3 . 36040 1 47 . 1 1 10 10 ARG HG2 H 1 1.722 0.005 . . . . . . A 10 ARG HG2 . 36040 1 48 . 1 1 10 10 ARG HG3 H 1 1.722 0.005 . . . . . . A 10 ARG HG3 . 36040 1 49 . 1 1 10 10 ARG HD2 H 1 3.219 0.000 . . . . . . A 10 ARG HD2 . 36040 1 50 . 1 1 10 10 ARG HD3 H 1 3.165 0.000 . . . . . . A 10 ARG HD3 . 36040 1 51 . 1 1 11 11 ALA H H 1 8.690 0.001 . 1 . . . . A 11 ALA H . 36040 1 52 . 1 1 11 11 ALA HA H 1 4.419 0.002 . 1 . . . . A 11 ALA HA . 36040 1 53 . 1 1 11 11 ALA HB1 H 1 1.393 0.002 . 1 . . . . A 11 ALA HB1 . 36040 1 54 . 1 1 11 11 ALA HB2 H 1 1.393 0.002 . 1 . . . . A 11 ALA HB2 . 36040 1 55 . 1 1 11 11 ALA HB3 H 1 1.393 0.002 . 1 . . . . A 11 ALA HB3 . 36040 1 56 . 1 1 12 12 CYS H H 1 8.875 0.000 . 1 . . . . A 12 CYS H . 36040 1 57 . 1 1 12 12 CYS HA H 1 4.399 0.002 . 1 . . . . A 12 CYS HA . 36040 1 58 . 1 1 12 12 CYS HB2 H 1 2.921 0.001 . . . . . . A 12 CYS HB2 . 36040 1 59 . 1 1 12 12 CYS HB3 H 1 2.921 0.001 . . . . . . A 12 CYS HB3 . 36040 1 60 . 1 1 13 13 ALA H H 1 8.619 0.001 . 1 . . . . A 13 ALA H . 36040 1 61 . 1 1 13 13 ALA HA H 1 4.280 0.003 . 1 . . . . A 13 ALA HA . 36040 1 62 . 1 1 13 13 ALA HB1 H 1 1.368 0.002 . 1 . . . . A 13 ALA HB1 . 36040 1 63 . 1 1 13 13 ALA HB2 H 1 1.368 0.002 . 1 . . . . A 13 ALA HB2 . 36040 1 64 . 1 1 13 13 ALA HB3 H 1 1.368 0.002 . 1 . . . . A 13 ALA HB3 . 36040 1 65 . 1 1 14 14 ASN H H 1 8.656 0.000 . 1 . . . . A 14 ASN H . 36040 1 66 . 1 1 14 14 ASN HA H 1 4.321 0.000 . 1 . . . . A 14 ASN HA . 36040 1 67 . 1 1 14 14 ASN HB2 H 1 2.888 0.003 . . . . . . A 14 ASN HB2 . 36040 1 68 . 1 1 14 14 ASN HB3 H 1 2.754 0.001 . . . . . . A 14 ASN HB3 . 36040 1 69 . 1 1 15 15 GLN H H 1 8.342 0.001 . 1 . . . . A 15 GLN H . 36040 1 70 . 1 1 15 15 GLN HA H 1 3.717 0.001 . 1 . . . . A 15 GLN HA . 36040 1 71 . 1 1 15 15 GLN HB2 H 1 2.146 0.000 . . . . . . A 15 GLN HB2 . 36040 1 72 . 1 1 15 15 GLN HB3 H 1 2.146 0.000 . . . . . . A 15 GLN HB3 . 36040 1 73 . 1 1 15 15 GLN HG2 H 1 2.250 0.000 . . . . . . A 15 GLN HG2 . 36040 1 74 . 1 1 15 15 GLN HG3 H 1 2.209 0.000 . . . . . . A 15 GLN HG3 . 36040 1 75 . 1 1 16 16 LEU H H 1 7.162 0.001 . 1 . . . . A 16 LEU H . 36040 1 76 . 1 1 16 16 LEU HA H 1 4.271 0.003 . 1 . . . . A 16 LEU HA . 36040 1 77 . 1 1 16 16 LEU HB2 H 1 1.710 0.004 . . . . . . A 16 LEU HB2 . 36040 1 78 . 1 1 16 16 LEU HB3 H 1 1.710 0.004 . . . . . . A 16 LEU HB3 . 36040 1 79 . 1 1 16 16 LEU HG H 1 1.467 0.002 . 1 . . . . A 16 LEU HG . 36040 1 80 . 1 1 16 16 LEU HD11 H 1 0.772 0.001 . . . . . . A 16 LEU HD11 . 36040 1 81 . 1 1 16 16 LEU HD12 H 1 0.772 0.001 . . . . . . A 16 LEU HD12 . 36040 1 82 . 1 1 16 16 LEU HD13 H 1 0.772 0.001 . . . . . . A 16 LEU HD13 . 36040 1 83 . 1 1 16 16 LEU HD21 H 1 0.662 0.002 . . . . . . A 16 LEU HD21 . 36040 1 84 . 1 1 16 16 LEU HD22 H 1 0.662 0.002 . . . . . . A 16 LEU HD22 . 36040 1 85 . 1 1 16 16 LEU HD23 H 1 0.662 0.002 . . . . . . A 16 LEU HD23 . 36040 1 86 . 1 1 17 17 CYS H H 1 8.343 0.001 . 1 . . . . A 17 CYS H . 36040 1 87 . 1 1 17 17 CYS HA H 1 4.592 0.001 . 1 . . . . A 17 CYS HA . 36040 1 88 . 1 1 17 17 CYS HB2 H 1 4.095 0.005 . . . . . . A 17 CYS HB2 . 36040 1 89 . 1 1 17 17 CYS HB3 H 1 2.707 0.003 . . . . . . A 17 CYS HB3 . 36040 1 90 . 1 1 18 18 CYS H H 1 8.045 0.001 . 1 . . . . A 18 CYS H . 36040 1 91 . 1 1 18 18 CYS HA H 1 5.212 0.003 . 1 . . . . A 18 CYS HA . 36040 1 92 . 1 1 18 18 CYS HB2 H 1 3.026 0.001 . . . . . . A 18 CYS HB2 . 36040 1 93 . 1 1 18 18 CYS HB3 H 1 2.984 0.002 . . . . . . A 18 CYS HB3 . 36040 1 94 . 1 1 19 19 SER H H 1 9.880 0.001 . 1 . . . . A 19 SER H . 36040 1 95 . 1 1 19 19 SER HA H 1 4.901 0.003 . 1 . . . . A 19 SER HA . 36040 1 96 . 1 1 19 19 SER HB2 H 1 4.338 0.003 . . . . . . A 19 SER HB2 . 36040 1 97 . 1 1 19 19 SER HB3 H 1 4.248 0.001 . . . . . . A 19 SER HB3 . 36040 1 98 . 1 1 19 19 SER HG H 1 6.631 0.000 . 1 . . . . A 19 SER HG . 36040 1 99 . 1 1 20 20 GLN H H 1 8.380 0.002 . 1 . . . . A 20 GLN H . 36040 1 100 . 1 1 21 21 TYR H H 1 7.330 0.001 . 1 . . . . A 21 TYR H . 36040 1 101 . 1 1 21 21 TYR HA H 1 4.579 0.002 . 1 . . . . A 21 TYR HA . 36040 1 102 . 1 1 21 21 TYR HB2 H 1 3.618 0.001 . . . . . . A 21 TYR HB2 . 36040 1 103 . 1 1 21 21 TYR HB3 H 1 2.728 0.003 . . . . . . A 21 TYR HB3 . 36040 1 104 . 1 1 21 21 TYR HD1 H 1 7.153 0.004 . . . . . . A 21 TYR HD1 . 36040 1 105 . 1 1 21 21 TYR HD2 H 1 7.245 0.000 . . . . . . A 21 TYR HD2 . 36040 1 106 . 1 1 22 22 GLY H H 1 7.915 0.001 . 1 . . . . A 22 GLY H . 36040 1 107 . 1 1 22 22 GLY HA2 H 1 3.863 0.007 . . . . . . A 22 GLY HA2 . 36040 1 108 . 1 1 22 22 GLY HA3 H 1 3.540 0.000 . . . . . . A 22 GLY HA3 . 36040 1 109 . 1 1 23 23 PHE H H 1 7.398 0.002 . 1 . . . . A 23 PHE H . 36040 1 110 . 1 1 23 23 PHE HA H 1 5.237 0.002 . 1 . . . . A 23 PHE HA . 36040 1 111 . 1 1 23 23 PHE HB2 H 1 3.412 0.003 . . . . . . A 23 PHE HB2 . 36040 1 112 . 1 1 23 23 PHE HB3 H 1 2.929 0.003 . . . . . . A 23 PHE HB3 . 36040 1 113 . 1 1 23 23 PHE HD1 H 1 7.140 0.001 . . . . . . A 23 PHE HD1 . 36040 1 114 . 1 1 23 23 PHE HD2 H 1 6.722 0.001 . . . . . . A 23 PHE HD2 . 36040 1 115 . 1 1 24 24 CYS H H 1 8.942 0.001 . 1 . . . . A 24 CYS H . 36040 1 116 . 1 1 24 24 CYS HA H 1 5.743 0.002 . 1 . . . . A 24 CYS HA . 36040 1 117 . 1 1 24 24 CYS HB2 H 1 2.936 0.003 . . . . . . A 24 CYS HB2 . 36040 1 118 . 1 1 24 24 CYS HB3 H 1 2.861 0.005 . . . . . . A 24 CYS HB3 . 36040 1 119 . 1 1 25 25 GLY H H 1 9.246 0.001 . 1 . . . . A 25 GLY H . 36040 1 120 . 1 1 25 25 GLY HA2 H 1 3.705 0.007 . . . . . . A 25 GLY HA2 . 36040 1 121 . 1 1 25 25 GLY HA3 H 1 2.051 0.006 . . . . . . A 25 GLY HA3 . 36040 1 122 . 1 1 26 26 SER H H 1 8.655 0.001 . 1 . . . . A 26 SER H . 36040 1 123 . 1 1 26 26 SER HA H 1 5.025 0.002 . 1 . . . . A 26 SER HA . 36040 1 124 . 1 1 26 26 SER HB2 H 1 3.980 0.004 . . . . . . A 26 SER HB2 . 36040 1 125 . 1 1 26 26 SER HB3 H 1 3.622 0.003 . . . . . . A 26 SER HB3 . 36040 1 126 . 1 1 27 27 THR H H 1 7.041 0.002 . 1 . . . . A 27 THR H . 36040 1 127 . 1 1 27 27 THR HA H 1 4.849 0.002 . 1 . . . . A 27 THR HA . 36040 1 128 . 1 1 27 27 THR HB H 1 4.793 0.002 . 1 . . . . A 27 THR HB . 36040 1 129 . 1 1 27 27 THR HG21 H 1 1.342 0.001 . 1 . . . . A 27 THR HG21 . 36040 1 130 . 1 1 27 27 THR HG22 H 1 1.342 0.001 . 1 . . . . A 27 THR HG22 . 36040 1 131 . 1 1 27 27 THR HG23 H 1 1.342 0.001 . 1 . . . . A 27 THR HG23 . 36040 1 132 . 1 1 28 28 SER H H 1 9.320 0.002 . 1 . . . . A 28 SER H . 36040 1 133 . 1 1 28 28 SER HA H 1 4.182 0.001 . 1 . . . . A 28 SER HA . 36040 1 134 . 1 1 28 28 SER HB2 H 1 3.966 0.001 . . . . . . A 28 SER HB2 . 36040 1 135 . 1 1 28 28 SER HB3 H 1 3.966 0.001 . . . . . . A 28 SER HB3 . 36040 1 136 . 1 1 29 29 GLU H H 1 8.371 0.004 . 1 . . . . A 29 GLU H . 36040 1 137 . 1 1 29 29 GLU HA H 1 4.066 0.004 . 1 . . . . A 29 GLU HA . 36040 1 138 . 1 1 29 29 GLU HB2 H 1 1.950 0.000 . . . . . . A 29 GLU HB2 . 36040 1 139 . 1 1 29 29 GLU HB3 H 1 1.875 0.001 . . . . . . A 29 GLU HB3 . 36040 1 140 . 1 1 29 29 GLU HG2 H 1 2.309 0.002 . . . . . . A 29 GLU HG2 . 36040 1 141 . 1 1 29 29 GLU HG3 H 1 2.263 0.000 . . . . . . A 29 GLU HG3 . 36040 1 142 . 1 1 30 30 TYR H H 1 7.747 0.002 . 1 . . . . A 30 TYR H . 36040 1 143 . 1 1 30 30 TYR HA H 1 3.877 0.001 . 1 . . . . A 30 TYR HA . 36040 1 144 . 1 1 30 30 TYR HB2 H 1 3.124 0.002 . . . . . . A 30 TYR HB2 . 36040 1 145 . 1 1 30 30 TYR HB3 H 1 2.805 0.004 . . . . . . A 30 TYR HB3 . 36040 1 146 . 1 1 30 30 TYR HD1 H 1 7.483 0.002 . . . . . . A 30 TYR HD1 . 36040 1 147 . 1 1 30 30 TYR HD2 H 1 7.483 0.002 . . . . . . A 30 TYR HD2 . 36040 1 148 . 1 1 31 31 CYS H H 1 7.665 0.001 . 1 . . . . A 31 CYS H . 36040 1 149 . 1 1 31 31 CYS HA H 1 4.780 0.002 . 1 . . . . A 31 CYS HA . 36040 1 150 . 1 1 31 31 CYS HB2 H 1 3.163 0.004 . . . . . . A 31 CYS HB2 . 36040 1 151 . 1 1 31 31 CYS HB3 H 1 2.766 0.003 . . . . . . A 31 CYS HB3 . 36040 1 152 . 1 1 32 32 SER H H 1 7.911 0.002 . 1 . . . . A 32 SER H . 36040 1 153 . 1 1 32 32 SER HA H 1 4.711 0.003 . 1 . . . . A 32 SER HA . 36040 1 154 . 1 1 32 32 SER HB2 H 1 4.055 0.002 . . . . . . A 32 SER HB2 . 36040 1 155 . 1 1 32 32 SER HB3 H 1 3.919 0.003 . . . . . . A 32 SER HB3 . 36040 1 156 . 1 1 33 33 ARG H H 1 10.048 0.001 . 1 . . . . A 33 ARG H . 36040 1 157 . 1 1 33 33 ARG HA H 1 4.051 0.001 . 1 . . . . A 33 ARG HA . 36040 1 158 . 1 1 33 33 ARG HB2 H 1 1.898 0.000 . . . . . . A 33 ARG HB2 . 36040 1 159 . 1 1 33 33 ARG HB3 H 1 1.817 0.002 . . . . . . A 33 ARG HB3 . 36040 1 160 . 1 1 33 33 ARG HG2 H 1 1.682 0.000 . . . . . . A 33 ARG HG2 . 36040 1 161 . 1 1 33 33 ARG HG3 H 1 1.682 0.000 . . . . . . A 33 ARG HG3 . 36040 1 162 . 1 1 33 33 ARG HD2 H 1 3.196 0.001 . . . . . . A 33 ARG HD2 . 36040 1 163 . 1 1 33 33 ARG HD3 H 1 3.196 0.001 . . . . . . A 33 ARG HD3 . 36040 1 164 . 1 1 33 33 ARG HE H 1 7.237 0.000 . 1 . . . . A 33 ARG HE . 36040 1 165 . 1 1 34 34 ALA H H 1 8.689 0.001 . 1 . . . . A 34 ALA H . 36040 1 166 . 1 1 34 34 ALA HA H 1 4.167 0.004 . 1 . . . . A 34 ALA HA . 36040 1 167 . 1 1 34 34 ALA HB1 H 1 1.340 0.002 . 1 . . . . A 34 ALA HB1 . 36040 1 168 . 1 1 34 34 ALA HB2 H 1 1.340 0.002 . 1 . . . . A 34 ALA HB2 . 36040 1 169 . 1 1 34 34 ALA HB3 H 1 1.340 0.002 . 1 . . . . A 34 ALA HB3 . 36040 1 170 . 1 1 35 35 ASN H H 1 7.283 0.002 . 1 . . . . A 35 ASN H . 36040 1 171 . 1 1 35 35 ASN HA H 1 5.004 0.005 . 1 . . . . A 35 ASN HA . 36040 1 172 . 1 1 35 35 ASN HB2 H 1 3.150 0.003 . . . . . . A 35 ASN HB2 . 36040 1 173 . 1 1 35 35 ASN HB3 H 1 2.517 0.001 . . . . . . A 35 ASN HB3 . 36040 1 174 . 1 1 36 36 GLY H H 1 7.892 0.001 . 1 . . . . A 36 GLY H . 36040 1 175 . 1 1 36 36 GLY HA2 H 1 3.935 0.003 . . . . . . A 36 GLY HA2 . 36040 1 176 . 1 1 36 36 GLY HA3 H 1 3.738 0.000 . . . . . . A 36 GLY HA3 . 36040 1 177 . 1 1 37 37 CYS H H 1 7.162 0.001 . 1 . . . . A 37 CYS H . 36040 1 178 . 1 1 37 37 CYS HA H 1 4.257 0.004 . 1 . . . . A 37 CYS HA . 36040 1 179 . 1 1 37 37 CYS HB2 H 1 2.042 0.006 . . . . . . A 37 CYS HB2 . 36040 1 180 . 1 1 37 37 CYS HB3 H 1 3.243 0.001 . . . . . . A 37 CYS HB3 . 36040 1 181 . 1 1 38 38 GLN H H 1 9.541 0.005 . 1 . . . . A 38 GLN H . 36040 1 182 . 1 1 38 38 GLN HA H 1 4.468 0.004 . 1 . . . . A 38 GLN HA . 36040 1 183 . 1 1 38 38 GLN HB2 H 1 1.707 0.003 . . . . . . A 38 GLN HB2 . 36040 1 184 . 1 1 38 38 GLN HB3 H 1 1.707 0.003 . . . . . . A 38 GLN HB3 . 36040 1 185 . 1 1 38 38 GLN HG2 H 1 2.246 0.002 . . . . . . A 38 GLN HG2 . 36040 1 186 . 1 1 38 38 GLN HG3 H 1 2.149 0.002 . . . . . . A 38 GLN HG3 . 36040 1 187 . 1 1 39 39 SER H H 1 7.487 0.001 . 1 . . . . A 39 SER H . 36040 1 188 . 1 1 39 39 SER HA H 1 4.462 0.002 . 1 . . . . A 39 SER HA . 36040 1 189 . 1 1 39 39 SER HB2 H 1 4.046 0.004 . . . . . . A 39 SER HB2 . 36040 1 190 . 1 1 39 39 SER HB3 H 1 3.766 0.001 . . . . . . A 39 SER HB3 . 36040 1 191 . 1 1 40 40 ASN H H 1 9.086 0.005 . 1 . . . . A 40 ASN H . 36040 1 192 . 1 1 40 40 ASN HA H 1 4.274 0.001 . 1 . . . . A 40 ASN HA . 36040 1 193 . 1 1 40 40 ASN HB2 H 1 2.917 0.002 . . . . . . A 40 ASN HB2 . 36040 1 194 . 1 1 40 40 ASN HB3 H 1 2.811 0.001 . . . . . . A 40 ASN HB3 . 36040 1 195 . 1 1 41 41 CYS H H 1 7.948 0.011 . 1 . . . . A 41 CYS H . 36040 1 196 . 1 1 41 41 CYS HA H 1 4.763 0.003 . 1 . . . . A 41 CYS HA . 36040 1 197 . 1 1 41 41 CYS HB2 H 1 3.547 0.003 . . . . . . A 41 CYS HB2 . 36040 1 198 . 1 1 41 41 CYS HB3 H 1 2.509 0.002 . . . . . . A 41 CYS HB3 . 36040 1 199 . 1 1 42 42 ARG H H 1 8.426 0.001 . 1 . . . . A 42 ARG H . 36040 1 200 . 1 1 42 42 ARG HA H 1 4.574 0.002 . 1 . . . . A 42 ARG HA . 36040 1 201 . 1 1 42 42 ARG HB2 H 1 1.922 0.003 . . . . . . A 42 ARG HB2 . 36040 1 202 . 1 1 42 42 ARG HB3 H 1 1.922 0.003 . . . . . . A 42 ARG HB3 . 36040 1 203 . 1 1 42 42 ARG HG2 H 1 1.677 0.001 . . . . . . A 42 ARG HG2 . 36040 1 204 . 1 1 42 42 ARG HG3 H 1 1.586 0.003 . . . . . . A 42 ARG HG3 . 36040 1 205 . 1 1 42 42 ARG HD2 H 1 3.196 0.000 . . . . . . A 42 ARG HD2 . 36040 1 206 . 1 1 42 42 ARG HD3 H 1 3.142 0.011 . . . . . . A 42 ARG HD3 . 36040 1 207 . 1 1 42 42 ARG HE H 1 7.247 0.003 . 1 . . . . A 42 ARG HE . 36040 1 208 . 1 1 43 43 GLY H H 1 8.202 0.002 . 1 . . . . A 43 GLY H . 36040 1 209 . 1 1 43 43 GLY HA2 H 1 3.832 0.000 . . . . . . A 43 GLY HA2 . 36040 1 210 . 1 1 43 43 GLY HA3 H 1 3.715 0.001 . . . . . . A 43 GLY HA3 . 36040 1 stop_ save_