################################### # 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 19847 _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' . . . 19847 1 2 '2D 1H-1H NOESY' . . . 19847 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 CYS HA H 1 4.942222 0.01 . . . . . A 1 CYS HA . 19847 1 2 . 1 1 1 1 CYS HB2 H 1 3.149159 0.01 . . . . . A 1 CYS HB2 . 19847 1 3 . 1 1 1 1 CYS HB3 H 1 2.852364 0.01 . . . . . A 1 CYS HB3 . 19847 1 4 . 1 1 2 2 ARG H H 1 9.232805 0.01 . . . . . A 2 ARG H . 19847 1 5 . 1 1 2 2 ARG HA H 1 4.676095 0.01 . . . . . A 2 ARG HA . 19847 1 6 . 1 1 2 2 ARG HB2 H 1 1.839971 0.01 . . . . . A 2 ARG HB2 . 19847 1 7 . 1 1 2 2 ARG HB3 H 1 1.839971 0.01 . . . . . A 2 ARG HB3 . 19847 1 8 . 1 1 2 2 ARG HG2 H 1 1.748592 0.01 . . . . . A 2 ARG HG2 . 19847 1 9 . 1 1 2 2 ARG HG3 H 1 1.597644 0.01 . . . . . A 2 ARG HG3 . 19847 1 10 . 1 1 2 2 ARG HD2 H 1 3.24589 0.01 . . . . . A 2 ARG HD2 . 19847 1 11 . 1 1 2 2 ARG HD3 H 1 3.24589 0.01 . . . . . A 2 ARG HD3 . 19847 1 12 . 1 1 3 3 PRO HA H 1 4.473775 0.01 . . . . . A 3 PRO HA . 19847 1 13 . 1 1 3 3 PRO HB2 H 1 1.956667 0.01 . . . . . A 3 PRO HB2 . 19847 1 14 . 1 1 3 3 PRO HB3 H 1 2.249461 0.01 . . . . . A 3 PRO HB3 . 19847 1 15 . 1 1 3 3 PRO HG2 H 1 1.696023 0.01 . . . . . A 3 PRO HG2 . 19847 1 16 . 1 1 3 3 PRO HG3 H 1 1.331838 0.01 . . . . . A 3 PRO HG3 . 19847 1 17 . 1 1 3 3 PRO HD2 H 1 3.736216 0.01 . . . . . A 3 PRO HD2 . 19847 1 18 . 1 1 3 3 PRO HD3 H 1 2.507067 0.01 . . . . . A 3 PRO HD3 . 19847 1 19 . 1 1 4 4 TYR H H 1 7.188837 0.01 . . . . . A 4 TYR H . 19847 1 20 . 1 1 4 4 TYR HA H 1 4.689473 0.01 . . . . . A 4 TYR HA . 19847 1 21 . 1 1 4 4 TYR HB2 H 1 3.244125 0.01 . . . . . A 4 TYR HB2 . 19847 1 22 . 1 1 4 4 TYR HB3 H 1 3.047639 0.01 . . . . . A 4 TYR HB3 . 19847 1 23 . 1 1 4 4 TYR HD1 H 1 7.177118 0.01 . . . . . A 4 TYR HD1 . 19847 1 24 . 1 1 4 4 TYR HD2 H 1 7.177118 0.01 . . . . . A 4 TYR HD2 . 19847 1 25 . 1 1 4 4 TYR HE1 H 1 6.762918 0.01 . . . . . A 4 TYR HE1 . 19847 1 26 . 1 1 4 4 TYR HE2 H 1 6.762918 0.01 . . . . . A 4 TYR HE2 . 19847 1 27 . 1 1 5 5 GLY H H 1 9.269338 0.01 . . . . . A 5 GLY H . 19847 1 28 . 1 1 5 5 GLY HA2 H 1 3.932093 0.01 . . . . . A 5 GLY HA2 . 19847 1 29 . 1 1 5 5 GLY HA3 H 1 2.942394 0.01 . . . . . A 5 GLY HA3 . 19847 1 30 . 1 1 6 6 TYR H H 1 7.861146 0.01 . . . . . A 6 TYR H . 19847 1 31 . 1 1 6 6 TYR HA H 1 4.394418 0.01 . . . . . A 6 TYR HA . 19847 1 32 . 1 1 6 6 TYR HB2 H 1 3.21 0.01 . . . . . A 6 TYR HB2 . 19847 1 33 . 1 1 6 6 TYR HB3 H 1 2.854712 0.01 . . . . . A 6 TYR HB3 . 19847 1 34 . 1 1 6 6 TYR HD1 H 1 7.177301 0.01 . . . . . A 6 TYR HD1 . 19847 1 35 . 1 1 6 6 TYR HD2 H 1 7.177301 0.01 . . . . . A 6 TYR HD2 . 19847 1 36 . 1 1 7 7 ARG H H 1 8.225143 0.01 . . . . . A 7 ARG H . 19847 1 37 . 1 1 7 7 ARG HA H 1 4.67651 0.01 . . . . . A 7 ARG HA . 19847 1 38 . 1 1 7 7 ARG HB2 H 1 1.84089 0.01 . . . . . A 7 ARG HB2 . 19847 1 39 . 1 1 7 7 ARG HB3 H 1 1.745328 0.01 . . . . . A 7 ARG HB3 . 19847 1 40 . 1 1 7 7 ARG HG2 H 1 1.628632 0.01 . . . . . A 7 ARG HG2 . 19847 1 41 . 1 1 7 7 ARG HG3 H 1 1.628632 0.01 . . . . . A 7 ARG HG3 . 19847 1 42 . 1 1 7 7 ARG HD2 H 1 3.203822 0.01 . . . . . A 7 ARG HD2 . 19847 1 43 . 1 1 7 7 ARG HD3 H 1 3.203822 0.01 . . . . . A 7 ARG HD3 . 19847 1 44 . 1 1 7 7 ARG HE H 1 7.178679 0.01 . . . . . A 7 ARG HE . 19847 1 45 . 1 1 8 8 CYS H H 1 8.570346 0.01 . . . . . A 8 CYS H . 19847 1 46 . 1 1 8 8 CYS HA H 1 4.979071 0.01 . . . . . A 8 CYS HA . 19847 1 47 . 1 1 8 8 CYS HB2 H 1 3.387028 0.01 . . . . . A 8 CYS HB2 . 19847 1 48 . 1 1 8 8 CYS HB3 H 1 2.947204 0.01 . . . . . A 8 CYS HB3 . 19847 1 49 . 1 1 9 9 ASP H H 1 8.539651 0.01 . . . . . A 9 ASP H . 19847 1 50 . 1 1 9 9 ASP HA H 1 4.916334 0.01 . . . . . A 9 ASP HA . 19847 1 51 . 1 1 9 9 ASP HB2 H 1 2.9282 0.01 . . . . . A 9 ASP HB2 . 19847 1 52 . 1 1 9 9 ASP HB3 H 1 2.855968 0.01 . . . . . A 9 ASP HB3 . 19847 1 53 . 1 1 10 10 GLY H H 1 8.269164 0.01 . . . . . A 10 GLY H . 19847 1 54 . 1 1 10 10 GLY HA2 H 1 4.218191 0.01 . . . . . A 10 GLY HA2 . 19847 1 55 . 1 1 10 10 GLY HA3 H 1 3.98736 0.01 . . . . . A 10 GLY HA3 . 19847 1 56 . 1 1 11 11 VAL H H 1 8.328518 0.01 . . . . . A 11 VAL H . 19847 1 57 . 1 1 11 11 VAL HA H 1 4.082258 0.01 . . . . . A 11 VAL HA . 19847 1 58 . 1 1 11 11 VAL HB H 1 2.099129 0.01 . . . . . A 11 VAL HB . 19847 1 59 . 1 1 11 11 VAL HG21 H 1 0.946638 0.01 . . . . . A 11 VAL HG21 . 19847 1 60 . 1 1 11 11 VAL HG22 H 1 0.946638 0.01 . . . . . A 11 VAL HG22 . 19847 1 61 . 1 1 11 11 VAL HG23 H 1 0.946638 0.01 . . . . . A 11 VAL HG23 . 19847 1 62 . 1 1 12 12 ILE H H 1 8.144158 0.01 . . . . . A 12 ILE H . 19847 1 63 . 1 1 12 12 ILE HA H 1 4.153675 0.01 . . . . . A 12 ILE HA . 19847 1 64 . 1 1 12 12 ILE HB H 1 1.897859 0.01 . . . . . A 12 ILE HB . 19847 1 65 . 1 1 12 12 ILE HG12 H 1 1.51083 0.01 . . . . . A 12 ILE HG12 . 19847 1 66 . 1 1 12 12 ILE HG13 H 1 1.222285 0.01 . . . . . A 12 ILE HG13 . 19847 1 67 . 1 1 12 12 ILE HD11 H 1 0.891701 0.01 . . . . . A 12 ILE HD11 . 19847 1 68 . 1 1 12 12 ILE HD12 H 1 0.891701 0.01 . . . . . A 12 ILE HD12 . 19847 1 69 . 1 1 12 12 ILE HD13 H 1 0.891701 0.01 . . . . . A 12 ILE HD13 . 19847 1 70 . 1 1 13 13 ASN H H 1 8.780325 0.01 . . . . . A 13 ASN H . 19847 1 71 . 1 1 13 13 ASN HA H 1 4.832876 0.01 . . . . . A 13 ASN HA . 19847 1 72 . 1 1 13 13 ASN HB2 H 1 2.858993 0.01 . . . . . A 13 ASN HB2 . 19847 1 73 . 1 1 13 13 ASN HB3 H 1 2.689742 0.01 . . . . . A 13 ASN HB3 . 19847 1 74 . 1 1 13 13 ASN HD21 H 1 6.993081 0.01 . . . . . A 13 ASN HD21 . 19847 1 75 . 1 1 13 13 ASN HD22 H 1 7.874163 0.01 . . . . . A 13 ASN HD22 . 19847 1 76 . 1 1 14 14 GLN H H 1 8.54598 0.01 . . . . . A 14 GLN H . 19847 1 77 . 1 1 14 14 GLN HA H 1 4.474613 0.01 . . . . . A 14 GLN HA . 19847 1 78 . 1 1 14 14 GLN HB2 H 1 2.186447 0.01 . . . . . A 14 GLN HB2 . 19847 1 79 . 1 1 14 14 GLN HB3 H 1 1.944721 0.01 . . . . . A 14 GLN HB3 . 19847 1 80 . 1 1 14 14 GLN HG2 H 1 2.397976 0.01 . . . . . A 14 GLN HG2 . 19847 1 81 . 1 1 14 14 GLN HG3 H 1 2.354179 0.01 . . . . . A 14 GLN HG3 . 19847 1 82 . 1 1 14 14 GLN HE21 H 1 6.772443 0.01 . . . . . A 14 GLN HE21 . 19847 1 83 . 1 1 14 14 GLN HE22 H 1 7.463102 0.01 . . . . . A 14 GLN HE22 . 19847 1 84 . 1 1 15 15 CYS H H 1 7.690688 0.01 . . . . . A 15 CYS H . 19847 1 85 . 1 1 15 15 CYS HA H 1 4.465484 0.01 . . . . . A 15 CYS HA . 19847 1 86 . 1 1 15 15 CYS HB2 H 1 3.245463 0.01 . . . . . A 15 CYS HB2 . 19847 1 87 . 1 1 15 15 CYS HB3 H 1 2.484096 0.01 . . . . . A 15 CYS HB3 . 19847 1 88 . 1 1 16 16 CYS H H 1 9.686598 0.01 . . . . . A 16 CYS H . 19847 1 89 . 1 1 16 16 CYS HA H 1 4.57911 0.01 . . . . . A 16 CYS HA . 19847 1 90 . 1 1 16 16 CYS HB2 H 1 3.359182 0.01 . . . . . A 16 CYS HB2 . 19847 1 91 . 1 1 16 16 CYS HB3 H 1 2.586672 0.01 . . . . . A 16 CYS HB3 . 19847 1 92 . 1 1 17 17 ASP H H 1 8.820137 0.01 . . . . . A 17 ASP H . 19847 1 93 . 1 1 17 17 ASP HA H 1 4.620459 0.01 . . . . . A 17 ASP HA . 19847 1 94 . 1 1 17 17 ASP HB2 H 1 2.635709 0.01 . . . . . A 17 ASP HB2 . 19847 1 95 . 1 1 17 17 ASP HB3 H 1 2.635709 0.01 . . . . . A 17 ASP HB3 . 19847 1 96 . 1 1 18 18 PRO HA H 1 4.610784 0.01 . . . . . A 18 PRO HA . 19847 1 97 . 1 1 18 18 PRO HB2 H 1 1.656696 0.01 . . . . . A 18 PRO HB2 . 19847 1 98 . 1 1 18 18 PRO HB3 H 1 2.296961 0.01 . . . . . A 18 PRO HB3 . 19847 1 99 . 1 1 18 18 PRO HG2 H 1 1.733844 0.01 . . . . . A 18 PRO HG2 . 19847 1 100 . 1 1 18 18 PRO HG3 H 1 0.757566 0.01 . . . . . A 18 PRO HG3 . 19847 1 101 . 1 1 18 18 PRO HD2 H 1 3.115051 0.01 . . . . . A 18 PRO HD2 . 19847 1 102 . 1 1 18 18 PRO HD3 H 1 2.232139 0.01 . . . . . A 18 PRO HD3 . 19847 1 103 . 1 1 19 19 TYR H H 1 8.526577 0.01 . . . . . A 19 TYR H . 19847 1 104 . 1 1 19 19 TYR HA H 1 4.715102 0.01 . . . . . A 19 TYR HA . 19847 1 105 . 1 1 19 19 TYR HB2 H 1 3.180694 0.01 . . . . . A 19 TYR HB2 . 19847 1 106 . 1 1 19 19 TYR HB3 H 1 2.859306 0.01 . . . . . A 19 TYR HB3 . 19847 1 107 . 1 1 19 19 TYR HD1 H 1 7.182804 0.01 . . . . . A 19 TYR HD1 . 19847 1 108 . 1 1 19 19 TYR HD2 H 1 7.182804 0.01 . . . . . A 19 TYR HD2 . 19847 1 109 . 1 1 19 19 TYR HE1 H 1 6.914608 0.01 . . . . . A 19 TYR HE1 . 19847 1 110 . 1 1 19 19 TYR HE2 H 1 6.914608 0.01 . . . . . A 19 TYR HE2 . 19847 1 111 . 1 1 20 20 HIS H H 1 9.161358 0.01 . . . . . A 20 HIS H . 19847 1 112 . 1 1 20 20 HIS HA H 1 4.897702 0.01 . . . . . A 20 HIS HA . 19847 1 113 . 1 1 20 20 HIS HB2 H 1 3.241749 0.01 . . . . . A 20 HIS HB2 . 19847 1 114 . 1 1 20 20 HIS HB3 H 1 2.982121 0.01 . . . . . A 20 HIS HB3 . 19847 1 115 . 1 1 20 20 HIS HD2 H 1 6.7682 0.01 . . . . . A 20 HIS HD2 . 19847 1 116 . 1 1 20 20 HIS HE1 H 1 6.239278 0.01 . . . . . A 20 HIS HE1 . 19847 1 117 . 1 1 21 21 CYS H H 1 8.927642 0.01 . . . . . A 21 CYS H . 19847 1 118 . 1 1 21 21 CYS HA H 1 4.427497 0.01 . . . . . A 21 CYS HA . 19847 1 119 . 1 1 21 21 CYS HB2 H 1 3.102492 0.01 . . . . . A 21 CYS HB2 . 19847 1 120 . 1 1 21 21 CYS HB3 H 1 2.933421 0.01 . . . . . A 21 CYS HB3 . 19847 1 121 . 1 1 22 22 THR H H 1 9.119669 0.01 . . . . . A 22 THR H . 19847 1 122 . 1 1 22 22 THR HA H 1 4.390488 0.01 . . . . . A 22 THR HA . 19847 1 123 . 1 1 22 22 THR HB H 1 4.195689 0.01 . . . . . A 22 THR HB . 19847 1 124 . 1 1 22 22 THR HG21 H 1 1.204116 0.01 . . . . . A 22 THR HG21 . 19847 1 125 . 1 1 22 22 THR HG22 H 1 1.204116 0.01 . . . . . A 22 THR HG22 . 19847 1 126 . 1 1 22 22 THR HG23 H 1 1.204116 0.01 . . . . . A 22 THR HG23 . 19847 1 127 . 1 1 23 23 PRO HA H 1 5.101146 0.01 . . . . . A 23 PRO HA . 19847 1 128 . 1 1 23 23 PRO HB2 H 1 1.964292 0.01 . . . . . A 23 PRO HB2 . 19847 1 129 . 1 1 23 23 PRO HB3 H 1 2.574764 0.01 . . . . . A 23 PRO HB3 . 19847 1 130 . 1 1 23 23 PRO HG2 H 1 2.18609 0.01 . . . . . A 23 PRO HG2 . 19847 1 131 . 1 1 23 23 PRO HG3 H 1 2.18609 0.01 . . . . . A 23 PRO HG3 . 19847 1 132 . 1 1 23 23 PRO HD2 H 1 3.86964 0.01 . . . . . A 23 PRO HD2 . 19847 1 133 . 1 1 23 23 PRO HD3 H 1 3.597771 0.01 . . . . . A 23 PRO HD3 . 19847 1 134 . 1 1 24 24 PRO HA H 1 4.000224 0.01 . . . . . A 24 PRO HA . 19847 1 135 . 1 1 24 24 PRO HB2 H 1 1.812202 0.01 . . . . . A 24 PRO HB2 . 19847 1 136 . 1 1 24 24 PRO HB3 H 1 2.321456 0.01 . . . . . A 24 PRO HB3 . 19847 1 137 . 1 1 24 24 PRO HG2 H 1 2.054985 0.01 . . . . . A 24 PRO HG2 . 19847 1 138 . 1 1 24 24 PRO HG3 H 1 2.054985 0.01 . . . . . A 24 PRO HG3 . 19847 1 139 . 1 1 24 24 PRO HD2 H 1 3.825585 0.01 . . . . . A 24 PRO HD2 . 19847 1 140 . 1 1 24 24 PRO HD3 H 1 3.603483 0.01 . . . . . A 24 PRO HD3 . 19847 1 141 . 1 1 25 25 LEU H H 1 8.119168 0.01 . . . . . A 25 LEU H . 19847 1 142 . 1 1 25 25 LEU HA H 1 3.960205 0.01 . . . . . A 25 LEU HA . 19847 1 143 . 1 1 25 25 LEU HB2 H 1 2.094751 0.01 . . . . . A 25 LEU HB2 . 19847 1 144 . 1 1 25 25 LEU HB3 H 1 2.094751 0.01 . . . . . A 25 LEU HB3 . 19847 1 145 . 1 1 25 25 LEU HG H 1 1.529394 0.01 . . . . . A 25 LEU HG . 19847 1 146 . 1 1 25 25 LEU HD11 H 1 0.898551 0.01 . . . . . A 25 LEU HD11 . 19847 1 147 . 1 1 25 25 LEU HD12 H 1 0.898551 0.01 . . . . . A 25 LEU HD12 . 19847 1 148 . 1 1 25 25 LEU HD13 H 1 0.898551 0.01 . . . . . A 25 LEU HD13 . 19847 1 149 . 1 1 25 25 LEU HD21 H 1 0.859541 0.01 . . . . . A 25 LEU HD21 . 19847 1 150 . 1 1 25 25 LEU HD22 H 1 0.859541 0.01 . . . . . A 25 LEU HD22 . 19847 1 151 . 1 1 25 25 LEU HD23 H 1 0.859541 0.01 . . . . . A 25 LEU HD23 . 19847 1 152 . 1 1 26 26 ILE H H 1 7.504495 0.01 . . . . . A 26 ILE H . 19847 1 153 . 1 1 26 26 ILE HA H 1 4.509276 0.01 . . . . . A 26 ILE HA . 19847 1 154 . 1 1 26 26 ILE HB H 1 2.031095 0.01 . . . . . A 26 ILE HB . 19847 1 155 . 1 1 26 26 ILE HG12 H 1 1.382979 0.01 . . . . . A 26 ILE HG12 . 19847 1 156 . 1 1 26 26 ILE HG13 H 1 1.100298 0.01 . . . . . A 26 ILE HG13 . 19847 1 157 . 1 1 26 26 ILE HD11 H 1 0.90089 0.01 . . . . . A 26 ILE HD11 . 19847 1 158 . 1 1 26 26 ILE HD12 H 1 0.90089 0.01 . . . . . A 26 ILE HD12 . 19847 1 159 . 1 1 26 26 ILE HD13 H 1 0.90089 0.01 . . . . . A 26 ILE HD13 . 19847 1 160 . 1 1 27 27 GLY H H 1 7.858568 0.01 . . . . . A 27 GLY H . 19847 1 161 . 1 1 27 27 GLY HA2 H 1 4.291954 0.01 . . . . . A 27 GLY HA2 . 19847 1 162 . 1 1 27 27 GLY HA3 H 1 4.092835 0.01 . . . . . A 27 GLY HA3 . 19847 1 163 . 1 1 28 28 ILE H H 1 8.019062 0.01 . . . . . A 28 ILE H . 19847 1 164 . 1 1 28 28 ILE HA H 1 4.908064 0.01 . . . . . A 28 ILE HA . 19847 1 165 . 1 1 28 28 ILE HB H 1 1.360323 0.01 . . . . . A 28 ILE HB . 19847 1 166 . 1 1 28 28 ILE HG13 H 1 1.029922 0.01 . . . . . A 28 ILE HG13 . 19847 1 167 . 1 1 28 28 ILE HG21 H 1 0.639678 0.01 . . . . . A 28 ILE HG21 . 19847 1 168 . 1 1 28 28 ILE HG22 H 1 0.639678 0.01 . . . . . A 28 ILE HG22 . 19847 1 169 . 1 1 28 28 ILE HG23 H 1 0.639678 0.01 . . . . . A 28 ILE HG23 . 19847 1 170 . 1 1 28 28 ILE HD11 H 1 0.720264 0.01 . . . . . A 28 ILE HD11 . 19847 1 171 . 1 1 28 28 ILE HD12 H 1 0.720264 0.01 . . . . . A 28 ILE HD12 . 19847 1 172 . 1 1 28 28 ILE HD13 H 1 0.720264 0.01 . . . . . A 28 ILE HD13 . 19847 1 173 . 1 1 29 29 CYS H H 1 8.400278 0.01 . . . . . A 29 CYS H . 19847 1 174 . 1 1 29 29 CYS HA H 1 4.658132 0.01 . . . . . A 29 CYS HA . 19847 1 175 . 1 1 29 29 CYS HB2 H 1 3.053793 0.01 . . . . . A 29 CYS HB2 . 19847 1 176 . 1 1 29 29 CYS HB3 H 1 2.518661 0.01 . . . . . A 29 CYS HB3 . 19847 1 177 . 1 1 30 30 LEU H H 1 8.278316 0.01 . . . . . A 30 LEU H . 19847 1 178 . 1 1 30 30 LEU HA H 1 4.622961 0.01 . . . . . A 30 LEU HA . 19847 1 179 . 1 1 30 30 LEU HB2 H 1 1.78259 0.01 . . . . . A 30 LEU HB2 . 19847 1 180 . 1 1 30 30 LEU HB3 H 1 1.614789 0.01 . . . . . A 30 LEU HB3 . 19847 1 181 . 1 1 30 30 LEU HG H 1 1.380792 0.01 . . . . . A 30 LEU HG . 19847 1 182 . 1 1 30 30 LEU HD11 H 1 0.853363 0.01 . . . . . A 30 LEU HD11 . 19847 1 183 . 1 1 30 30 LEU HD12 H 1 0.853363 0.01 . . . . . A 30 LEU HD12 . 19847 1 184 . 1 1 30 30 LEU HD13 H 1 0.853363 0.01 . . . . . A 30 LEU HD13 . 19847 1 185 . 1 1 30 30 LEU HD21 H 1 0.679032 0.01 . . . . . A 30 LEU HD21 . 19847 1 186 . 1 1 30 30 LEU HD22 H 1 0.679032 0.01 . . . . . A 30 LEU HD22 . 19847 1 187 . 1 1 30 30 LEU HD23 H 1 0.679032 0.01 . . . . . A 30 LEU HD23 . 19847 1 stop_ save_