################################### # 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 19030 _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-15N HSQC' . . . 19030 1 2 '2D 1H-1H TOCSY' . . . 19030 1 3 '2D 1H-1H NOESY' . . . 19030 1 4 '2D 1H-13C HSQC' . . . 19030 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 2 2 CYS H H 1 8.262 0.000 . 1 . . . A 2 CYS H . 19030 1 2 . 1 1 2 2 CYS HA H 1 4.982 0.000 . 1 . . . A 2 CYS HA . 19030 1 3 . 1 1 2 2 CYS HB2 H 1 3.217 0.000 . 2 . . . A 2 CYS HB2 . 19030 1 4 . 1 1 2 2 CYS HB3 H 1 3.363 0.000 . 2 . . . A 2 CYS HB3 . 19030 1 5 . 1 1 3 3 LEU H H 1 8.712 0.000 . 1 . . . A 3 LEU H . 19030 1 6 . 1 1 3 3 LEU HA H 1 4.426 0.000 . 1 . . . A 3 LEU HA . 19030 1 7 . 1 1 3 3 LEU HB2 H 1 1.588 0.000 . 2 . . . A 3 LEU HB2 . 19030 1 8 . 1 1 3 3 LEU HB3 H 1 1.716 0.000 . 2 . . . A 3 LEU HB3 . 19030 1 9 . 1 1 3 3 LEU HG H 1 1.377 0.000 . 1 . . . A 3 LEU HG . 19030 1 10 . 1 1 3 3 LEU HD11 H 1 0.998 0.000 . 1 . . . A 3 LEU HD11 . 19030 1 11 . 1 1 3 3 LEU HD12 H 1 0.998 0.000 . 1 . . . A 3 LEU HD12 . 19030 1 12 . 1 1 3 3 LEU HD13 H 1 0.998 0.000 . 1 . . . A 3 LEU HD13 . 19030 1 13 . 1 1 3 3 LEU HD21 H 1 0.881 0.000 . 1 . . . A 3 LEU HD21 . 19030 1 14 . 1 1 3 3 LEU HD22 H 1 0.881 0.000 . 1 . . . A 3 LEU HD22 . 19030 1 15 . 1 1 3 3 LEU HD23 H 1 0.881 0.000 . 1 . . . A 3 LEU HD23 . 19030 1 16 . 1 1 4 4 GLU H H 1 7.833 0.000 . 1 . . . A 4 GLU H . 19030 1 17 . 1 1 4 4 GLU HA H 1 4.145 0.000 . 1 . . . A 4 GLU HA . 19030 1 18 . 1 1 4 4 GLU HB2 H 1 2.265 0.000 . 2 . . . A 4 GLU HB2 . 19030 1 19 . 1 1 4 4 GLU HG2 H 1 2.397 0.000 . 2 . . . A 4 GLU HG2 . 19030 1 20 . 1 1 4 4 GLU HG3 H 1 2.484 0.000 . 2 . . . A 4 GLU HG3 . 19030 1 21 . 1 1 5 5 ILE H H 1 7.910 0.000 . 1 . . . A 5 ILE H . 19030 1 22 . 1 1 5 5 ILE HA H 1 3.160 0.000 . 1 . . . A 5 ILE HA . 19030 1 23 . 1 1 5 5 ILE HB H 1 1.362 0.000 . 1 . . . A 5 ILE HB . 19030 1 24 . 1 1 5 5 ILE HG12 H 1 -0.062 0.000 . 2 . . . A 5 ILE HG12 . 19030 1 25 . 1 1 5 5 ILE HG13 H 1 0.663 0.000 . 2 . . . A 5 ILE HG13 . 19030 1 26 . 1 1 5 5 ILE HG21 H 1 0.294 0.000 . 1 . . . A 5 ILE HG21 . 19030 1 27 . 1 1 5 5 ILE HG22 H 1 0.294 0.000 . 1 . . . A 5 ILE HG22 . 19030 1 28 . 1 1 5 5 ILE HG23 H 1 0.294 0.000 . 1 . . . A 5 ILE HG23 . 19030 1 29 . 1 1 5 5 ILE HD11 H 1 0.245 0.000 . 1 . . . A 5 ILE HD11 . 19030 1 30 . 1 1 5 5 ILE HD12 H 1 0.245 0.000 . 1 . . . A 5 ILE HD12 . 19030 1 31 . 1 1 5 5 ILE HD13 H 1 0.245 0.000 . 1 . . . A 5 ILE HD13 . 19030 1 32 . 1 1 6 6 PHE H H 1 8.035 0.000 . 1 . . . A 6 PHE H . 19030 1 33 . 1 1 6 6 PHE HA H 1 4.208 0.000 . 1 . . . A 6 PHE HA . 19030 1 34 . 1 1 6 6 PHE HB2 H 1 3.473 0.000 . 2 . . . A 6 PHE HB2 . 19030 1 35 . 1 1 6 6 PHE HB3 H 1 3.554 0.000 . 2 . . . A 6 PHE HB3 . 19030 1 36 . 1 1 6 6 PHE HE1 H 1 7.306 0.000 . 1 . . . A 6 PHE HE1 . 19030 1 37 . 1 1 6 6 PHE HE2 H 1 7.306 0.000 . 1 . . . A 6 PHE HE2 . 19030 1 38 . 1 1 7 7 LYS H H 1 7.824 0.000 . 1 . . . A 7 LYS H . 19030 1 39 . 1 1 7 7 LYS HA H 1 4.346 0.000 . 1 . . . A 7 LYS HA . 19030 1 40 . 1 1 7 7 LYS HD2 H 1 1.837 0.000 . 2 . . . A 7 LYS HD2 . 19030 1 41 . 1 1 7 7 LYS HD3 H 1 2.143 0.000 . 2 . . . A 7 LYS HD3 . 19030 1 42 . 1 1 8 8 ALA H H 1 8.296 0.000 . 1 . . . A 8 ALA H . 19030 1 43 . 1 1 8 8 ALA HA H 1 4.753 0.000 . 1 . . . A 8 ALA HA . 19030 1 44 . 1 1 8 8 ALA HB1 H 1 1.497 0.000 . 1 . . . A 8 ALA HB1 . 19030 1 45 . 1 1 8 8 ALA HB2 H 1 1.497 0.000 . 1 . . . A 8 ALA HB2 . 19030 1 46 . 1 1 8 8 ALA HB3 H 1 1.497 0.000 . 1 . . . A 8 ALA HB3 . 19030 1 47 . 1 1 9 9 CYS H H 1 8.497 0.000 . 1 . . . A 9 CYS H . 19030 1 48 . 1 1 9 9 CYS HA H 1 4.827 0.000 . 1 . . . A 9 CYS HA . 19030 1 49 . 1 1 9 9 CYS HB2 H 1 2.948 0.000 . 2 . . . A 9 CYS HB2 . 19030 1 50 . 1 1 9 9 CYS HB3 H 1 3.096 0.000 . 2 . . . A 9 CYS HB3 . 19030 1 51 . 1 1 10 10 ASN H H 1 9.168 0.000 . 1 . . . A 10 ASN H . 19030 1 52 . 1 1 10 10 ASN HA H 1 5.178 0.000 . 1 . . . A 10 ASN HA . 19030 1 53 . 1 1 10 10 ASN HB2 H 1 2.798 0.000 . 2 . . . A 10 ASN HB2 . 19030 1 54 . 1 1 10 10 ASN HB3 H 1 3.048 0.000 . 2 . . . A 10 ASN HB3 . 19030 1 55 . 1 1 10 10 ASN HD21 H 1 7.840 0.000 . 2 . . . A 10 ASN HD21 . 19030 1 56 . 1 1 10 10 ASN HD22 H 1 7.163 0.000 . 2 . . . A 10 ASN HD22 . 19030 1 57 . 1 1 11 11 PRO HA H 1 3.940 0.000 . 1 . . . A 11 PRO HA . 19030 1 58 . 1 1 11 11 PRO HB2 H 1 1.945 0.000 . 2 . . . A 11 PRO HB2 . 19030 1 59 . 1 1 11 11 PRO HB3 H 1 1.945 0.000 . 2 . . . A 11 PRO HB3 . 19030 1 60 . 1 1 11 11 PRO HG2 H 1 1.819 0.000 . 2 . . . A 11 PRO HG2 . 19030 1 61 . 1 1 11 11 PRO HG3 H 1 1.854 0.000 . 2 . . . A 11 PRO HG3 . 19030 1 62 . 1 1 11 11 PRO HD2 H 1 3.275 0.000 . 2 . . . A 11 PRO HD2 . 19030 1 63 . 1 1 11 11 PRO HD3 H 1 3.275 0.000 . 2 . . . A 11 PRO HD3 . 19030 1 64 . 1 1 12 12 SER H H 1 7.850 0.000 . 1 . . . A 12 SER H . 19030 1 65 . 1 1 12 12 SER HA H 1 4.468 0.000 . 1 . . . A 12 SER HA . 19030 1 66 . 1 1 12 12 SER HB2 H 1 3.848 0.000 . 2 . . . A 12 SER HB2 . 19030 1 67 . 1 1 12 12 SER HB3 H 1 3.970 0.000 . 2 . . . A 12 SER HB3 . 19030 1 68 . 1 1 13 13 ASN H H 1 7.671 0.000 . 1 . . . A 13 ASN H . 19030 1 69 . 1 1 13 13 ASN HA H 1 4.678 0.000 . 1 . . . A 13 ASN HA . 19030 1 70 . 1 1 13 13 ASN HB2 H 1 2.643 0.000 . 2 . . . A 13 ASN HB2 . 19030 1 71 . 1 1 13 13 ASN HB3 H 1 2.677 0.000 . 2 . . . A 13 ASN HB3 . 19030 1 72 . 1 1 14 14 ASP H H 1 8.755 0.000 . 1 . . . A 14 ASP H . 19030 1 73 . 1 1 14 14 ASP HA H 1 4.122 0.000 . 1 . . . A 14 ASP HA . 19030 1 74 . 1 1 14 14 ASP HB2 H 1 2.526 0.000 . 2 . . . A 14 ASP HB2 . 19030 1 75 . 1 1 14 14 ASP HB3 H 1 3.044 0.000 . 2 . . . A 14 ASP HB3 . 19030 1 76 . 1 1 15 15 GLN H H 1 8.113 0.000 . 1 . . . A 15 GLN H . 19030 1 77 . 1 1 15 15 GLN HA H 1 4.636 0.000 . 1 . . . A 15 GLN HA . 19030 1 78 . 1 1 15 15 GLN HB2 H 1 2.359 0.000 . 2 . . . A 15 GLN HB2 . 19030 1 79 . 1 1 15 15 GLN HB3 H 1 2.359 0.000 . 2 . . . A 15 GLN HB3 . 19030 1 80 . 1 1 15 15 GLN HG2 H 1 2.764 0.000 . 2 . . . A 15 GLN HG2 . 19030 1 81 . 1 1 15 15 GLN HG3 H 1 2.438 0.000 . 2 . . . A 15 GLN HG3 . 19030 1 82 . 1 1 16 16 CYS H H 1 9.300 0.000 . 1 . . . A 16 CYS H . 19030 1 83 . 1 1 16 16 CYS HA H 1 4.900 0.000 . 1 . . . A 16 CYS HA . 19030 1 84 . 1 1 16 16 CYS HB2 H 1 2.639 0.000 . 2 . . . A 16 CYS HB2 . 19030 1 85 . 1 1 16 16 CYS HB3 H 1 2.719 0.000 . 2 . . . A 16 CYS HB3 . 19030 1 86 . 1 1 17 17 CYS H H 1 9.384 0.000 . 1 . . . A 17 CYS H . 19030 1 87 . 1 1 17 17 CYS HA H 1 4.549 0.000 . 1 . . . A 17 CYS HA . 19030 1 88 . 1 1 17 17 CYS HB2 H 1 3.194 0.000 . 2 . . . A 17 CYS HB2 . 19030 1 89 . 1 1 17 17 CYS HB3 H 1 2.783 0.000 . 2 . . . A 17 CYS HB3 . 19030 1 90 . 1 1 18 18 LYS H H 1 9.050 0.000 . 1 . . . A 18 LYS H . 19030 1 91 . 1 1 18 18 LYS HA H 1 4.251 0.000 . 1 . . . A 18 LYS HA . 19030 1 92 . 1 1 18 18 LYS HB2 H 1 1.919 0.000 . 2 . . . A 18 LYS HB2 . 19030 1 93 . 1 1 18 18 LYS HB3 H 1 1.959 0.000 . 2 . . . A 18 LYS HB3 . 19030 1 94 . 1 1 18 18 LYS HD2 H 1 1.633 0.000 . 2 . . . A 18 LYS HD2 . 19030 1 95 . 1 1 18 18 LYS HD3 H 1 1.705 0.000 . 2 . . . A 18 LYS HD3 . 19030 1 96 . 1 1 19 19 SER H H 1 9.073 0.000 . 1 . . . A 19 SER H . 19030 1 97 . 1 1 19 19 SER HA H 1 4.289 0.000 . 1 . . . A 19 SER HA . 19030 1 98 . 1 1 19 19 SER HB2 H 1 3.964 0.000 . 2 . . . A 19 SER HB2 . 19030 1 99 . 1 1 19 19 SER HB3 H 1 4.047 0.000 . 2 . . . A 19 SER HB3 . 19030 1 100 . 1 1 20 20 SER H H 1 6.796 0.000 . 1 . . . A 20 SER H . 19030 1 101 . 1 1 20 20 SER HA H 1 4.719 0.000 . 1 . . . A 20 SER HA . 19030 1 102 . 1 1 20 20 SER HB2 H 1 3.674 0.000 . 2 . . . A 20 SER HB2 . 19030 1 103 . 1 1 20 20 SER HB3 H 1 4.174 0.000 . 2 . . . A 20 SER HB3 . 19030 1 104 . 1 1 21 21 LYS H H 1 8.063 0.000 . 1 . . . A 21 LYS H . 19030 1 105 . 1 1 21 21 LYS HA H 1 3.880 0.000 . 1 . . . A 21 LYS HA . 19030 1 106 . 1 1 21 21 LYS HB2 H 1 2.214 0.000 . 2 . . . A 21 LYS HB2 . 19030 1 107 . 1 1 21 21 LYS HB3 H 1 1.991 0.000 . 2 . . . A 21 LYS HB3 . 19030 1 108 . 1 1 22 22 LEU H H 1 6.978 0.000 . 1 . . . A 22 LEU H . 19030 1 109 . 1 1 22 22 LEU HA H 1 5.148 0.000 . 1 . . . A 22 LEU HA . 19030 1 110 . 1 1 22 22 LEU HB2 H 1 1.756 0.000 . 2 . . . A 22 LEU HB2 . 19030 1 111 . 1 1 22 22 LEU HB3 H 1 1.756 0.000 . 2 . . . A 22 LEU HB3 . 19030 1 112 . 1 1 22 22 LEU HG H 1 1.434 0.000 . 1 . . . A 22 LEU HG . 19030 1 113 . 1 1 22 22 LEU HD11 H 1 0.813 0.000 . 1 . . . A 22 LEU HD11 . 19030 1 114 . 1 1 22 22 LEU HD12 H 1 0.813 0.000 . 1 . . . A 22 LEU HD12 . 19030 1 115 . 1 1 22 22 LEU HD13 H 1 0.813 0.000 . 1 . . . A 22 LEU HD13 . 19030 1 116 . 1 1 22 22 LEU HD21 H 1 0.813 0.000 . 1 . . . A 22 LEU HD21 . 19030 1 117 . 1 1 22 22 LEU HD22 H 1 0.813 0.000 . 1 . . . A 22 LEU HD22 . 19030 1 118 . 1 1 22 22 LEU HD23 H 1 0.813 0.000 . 1 . . . A 22 LEU HD23 . 19030 1 119 . 1 1 23 23 VAL H H 1 9.164 0.000 . 1 . . . A 23 VAL H . 19030 1 120 . 1 1 23 23 VAL HA H 1 4.352 0.000 . 1 . . . A 23 VAL HA . 19030 1 121 . 1 1 23 23 VAL HB H 1 1.893 0.000 . 1 . . . A 23 VAL HB . 19030 1 122 . 1 1 23 23 VAL HG11 H 1 0.866 0.000 . 1 . . . A 23 VAL HG11 . 19030 1 123 . 1 1 23 23 VAL HG12 H 1 0.866 0.000 . 1 . . . A 23 VAL HG12 . 19030 1 124 . 1 1 23 23 VAL HG13 H 1 0.866 0.000 . 1 . . . A 23 VAL HG13 . 19030 1 125 . 1 1 23 23 VAL HG21 H 1 0.798 0.000 . 1 . . . A 23 VAL HG21 . 19030 1 126 . 1 1 23 23 VAL HG22 H 1 0.798 0.000 . 1 . . . A 23 VAL HG22 . 19030 1 127 . 1 1 23 23 VAL HG23 H 1 0.798 0.000 . 1 . . . A 23 VAL HG23 . 19030 1 128 . 1 1 24 24 CYS H H 1 9.637 0.000 . 1 . . . A 24 CYS H . 19030 1 129 . 1 1 24 24 CYS HA H 1 4.541 0.000 . 1 . . . A 24 CYS HA . 19030 1 130 . 1 1 24 24 CYS HB2 H 1 3.128 0.000 . 2 . . . A 24 CYS HB2 . 19030 1 131 . 1 1 24 24 CYS HB3 H 1 2.552 0.000 . 2 . . . A 24 CYS HB3 . 19030 1 132 . 1 1 25 25 SER H H 1 7.843 0.000 . 1 . . . A 25 SER H . 19030 1 133 . 1 1 25 25 SER HA H 1 4.466 0.000 . 1 . . . A 25 SER HA . 19030 1 134 . 1 1 25 25 SER HB2 H 1 3.857 0.000 . 2 . . . A 25 SER HB2 . 19030 1 135 . 1 1 25 25 SER HB3 H 1 3.975 0.000 . 2 . . . A 25 SER HB3 . 19030 1 136 . 1 1 26 26 ARG H H 1 9.127 0.000 . 1 . . . A 26 ARG H . 19030 1 137 . 1 1 26 26 ARG HA H 1 3.950 0.000 . 1 . . . A 26 ARG HA . 19030 1 138 . 1 1 26 26 ARG HB2 H 1 1.861 0.000 . 2 . . . A 26 ARG HB2 . 19030 1 139 . 1 1 26 26 ARG HB3 H 1 1.944 0.000 . 2 . . . A 26 ARG HB3 . 19030 1 140 . 1 1 26 26 ARG HG2 H 1 1.686 0.000 . 2 . . . A 26 ARG HG2 . 19030 1 141 . 1 1 26 26 ARG HG3 H 1 1.831 0.000 . 2 . . . A 26 ARG HG3 . 19030 1 142 . 1 1 27 27 LYS H H 1 7.898 0.000 . 1 . . . A 27 LYS H . 19030 1 143 . 1 1 27 27 LYS HA H 1 4.433 0.000 . 1 . . . A 27 LYS HA . 19030 1 144 . 1 1 28 28 THR H H 1 7.706 0.000 . 1 . . . A 28 THR H . 19030 1 145 . 1 1 28 28 THR HA H 1 4.413 0.000 . 1 . . . A 28 THR HA . 19030 1 146 . 1 1 28 28 THR HB H 1 4.378 0.000 . 1 . . . A 28 THR HB . 19030 1 147 . 1 1 28 28 THR HG21 H 1 1.197 0.000 . 1 . . . A 28 THR HG1 . 19030 1 148 . 1 1 28 28 THR HG22 H 1 1.197 0.000 . 1 . . . A 28 THR HG1 . 19030 1 149 . 1 1 28 28 THR HG23 H 1 1.197 0.000 . 1 . . . A 28 THR HG1 . 19030 1 150 . 1 1 29 29 ARG H H 1 7.413 0.000 . 1 . . . A 29 ARG H . 19030 1 151 . 1 1 29 29 ARG HA H 1 3.838 0.000 . 1 . . . A 29 ARG HA . 19030 1 152 . 1 1 29 29 ARG HB2 H 1 2.073 0.000 . 2 . . . A 29 ARG HB2 . 19030 1 153 . 1 1 29 29 ARG HB3 H 1 2.371 0.000 . 2 . . . A 29 ARG HB3 . 19030 1 154 . 1 1 29 29 ARG HG2 H 1 1.350 0.000 . 2 . . . A 29 ARG HG2 . 19030 1 155 . 1 1 29 29 ARG HG3 H 1 1.556 0.000 . 2 . . . A 29 ARG HG3 . 19030 1 156 . 1 1 29 29 ARG HD2 H 1 3.248 0.000 . 2 . . . A 29 ARG HD2 . 19030 1 157 . 1 1 29 29 ARG HD3 H 1 3.342 0.000 . 2 . . . A 29 ARG HD3 . 19030 1 158 . 1 1 30 30 ALA H H 1 7.349 0.000 . 1 . . . A 30 ALA H . 19030 1 159 . 1 1 30 30 ALA HA H 1 5.248 0.000 . 1 . . . A 30 ALA HA . 19030 1 160 . 1 1 30 30 ALA HB1 H 1 1.095 0.000 . 1 . . . A 30 ALA HB1 . 19030 1 161 . 1 1 30 30 ALA HB2 H 1 1.095 0.000 . 1 . . . A 30 ALA HB2 . 19030 1 162 . 1 1 30 30 ALA HB3 H 1 1.095 0.000 . 1 . . . A 30 ALA HB3 . 19030 1 163 . 1 1 31 31 CYS H H 1 8.573 0.000 . 1 . . . A 31 CYS H . 19030 1 164 . 1 1 31 31 CYS HA H 1 4.900 0.000 . 1 . . . A 31 CYS HA . 19030 1 165 . 1 1 31 31 CYS HB2 H 1 3.047 0.000 . 2 . . . A 31 CYS HB2 . 19030 1 166 . 1 1 31 31 CYS HB3 H 1 2.497 0.000 . 2 . . . A 31 CYS HB3 . 19030 1 167 . 1 1 32 32 LYS H H 1 9.543 0.000 . 1 . . . A 32 LYS H . 19030 1 168 . 1 1 32 32 LYS HA H 1 4.625 0.000 . 1 . . . A 32 LYS HA . 19030 1 169 . 1 1 32 32 LYS HB2 H 1 1.771 0.000 . 2 . . . A 32 LYS HB2 . 19030 1 170 . 1 1 32 32 LYS HB3 H 1 1.909 0.000 . 2 . . . A 32 LYS HB3 . 19030 1 171 . 1 1 32 32 LYS HG2 H 1 1.364 0.000 . 2 . . . A 32 LYS HG2 . 19030 1 172 . 1 1 32 32 LYS HG3 H 1 1.364 0.000 . 2 . . . A 32 LYS HG3 . 19030 1 173 . 1 1 32 32 LYS HD2 H 1 1.531 0.000 . 2 . . . A 32 LYS HD2 . 19030 1 174 . 1 1 32 32 LYS HD3 H 1 1.531 0.000 . 2 . . . A 32 LYS HD3 . 19030 1 175 . 1 1 33 33 TYR H H 1 8.391 0.000 . 1 . . . A 33 TYR H . 19030 1 176 . 1 1 33 33 TYR HA H 1 4.714 0.000 . 1 . . . A 33 TYR HA . 19030 1 177 . 1 1 33 33 TYR HB2 H 1 2.793 0.000 . 2 . . . A 33 TYR HB2 . 19030 1 178 . 1 1 33 33 TYR HB3 H 1 3.077 0.000 . 2 . . . A 33 TYR HB3 . 19030 1 179 . 1 1 34 34 GLN H H 1 8.784 0.000 . 1 . . . A 34 GLN H . 19030 1 180 . 1 1 34 34 GLN HA H 1 4.217 0.000 . 1 . . . A 34 GLN HA . 19030 1 181 . 1 1 34 34 GLN HB2 H 1 1.844 0.000 . 2 . . . A 34 GLN HB2 . 19030 1 182 . 1 1 34 34 GLN HB3 H 1 1.844 0.000 . 2 . . . A 34 GLN HB3 . 19030 1 183 . 1 1 34 34 GLN HG2 H 1 2.255 0.000 . 2 . . . A 34 GLN HG2 . 19030 1 184 . 1 1 34 34 GLN HG3 H 1 2.255 0.000 . 2 . . . A 34 GLN HG3 . 19030 1 185 . 1 1 35 35 ILE H H 1 8.148 0.000 . 1 . . . A 35 ILE H . 19030 1 186 . 1 1 35 35 ILE HA H 1 4.185 0.000 . 1 . . . A 35 ILE HA . 19030 1 187 . 1 1 35 35 ILE HB H 1 1.866 0.000 . 1 . . . A 35 ILE HB . 19030 1 188 . 1 1 35 35 ILE HG12 H 1 1.216 0.000 . 2 . . . A 35 ILE HG12 . 19030 1 189 . 1 1 35 35 ILE HD11 H 1 0.953 0.000 . 1 . . . A 35 ILE HD11 . 19030 1 190 . 1 1 35 35 ILE HD12 H 1 0.953 0.000 . 1 . . . A 35 ILE HD12 . 19030 1 191 . 1 1 35 35 ILE HD13 H 1 0.953 0.000 . 1 . . . A 35 ILE HD13 . 19030 1 stop_ save_