################################### # 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 17086 _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' . . . 17086 1 2 '2D DQF-COSY' . . . 17086 1 3 '2D 1H-1H NOESY' . . . 17086 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 CYS H H 1 8.084 0.000 . 1 . . . 1 . 93 C H . 17086 1 2 . 1 1 1 1 CYS HA H 1 4.975 0.001 . 1 . . . 1 . 93 C HA . 17086 1 3 . 1 1 1 1 CYS HB2 H 1 2.960 0.006 . 2 . . . 1 . 93 C HB2 . 17086 1 4 . 1 1 1 1 CYS HB3 H 1 3.041 0.002 . 2 . . . 1 . 93 C HB3 . 17086 1 5 . 1 1 2 2 VAL H H 1 9.012 0.005 . 1 . . . 1 . 94 V H . 17086 1 6 . 1 1 2 2 VAL HA H 1 4.085 0.006 . 1 . . . 1 . 94 V HA . 17086 1 7 . 1 1 2 2 VAL HB H 1 2.034 0.000 . 1 . . . 1 . 94 V HB . 17086 1 8 . 1 1 2 2 VAL HG11 H 1 0.929 0.005 . . . . . 1 . 94 V QG1 . 17086 1 9 . 1 1 2 2 VAL HG12 H 1 0.929 0.005 . . . . . 1 . 94 V QG1 . 17086 1 10 . 1 1 2 2 VAL HG13 H 1 0.929 0.005 . . . . . 1 . 94 V QG1 . 17086 1 11 . 1 1 2 2 VAL HG21 H 1 0.894 0.000 . . . . . 1 . 94 V QG2 . 17086 1 12 . 1 1 2 2 VAL HG22 H 1 0.894 0.000 . . . . . 1 . 94 V QG2 . 17086 1 13 . 1 1 2 2 VAL HG23 H 1 0.894 0.000 . . . . . 1 . 94 V QG2 . 17086 1 14 . 1 1 3 3 ALA H H 1 8.995 0.001 . 1 . . . 1 . 95 A H . 17086 1 15 . 1 1 3 3 ALA HA H 1 4.157 0.000 . 1 . . . 1 . 95 A HA . 17086 1 16 . 1 1 3 3 ALA HB1 H 1 1.405 0.002 . . . . . 1 . 95 A QB . 17086 1 17 . 1 1 3 3 ALA HB2 H 1 1.405 0.002 . . . . . 1 . 95 A QB . 17086 1 18 . 1 1 3 3 ALA HB3 H 1 1.405 0.002 . . . . . 1 . 95 A QB . 17086 1 19 . 1 1 4 4 THR H H 1 8.795 0.000 . 1 . . . 1 . 96 T H . 17086 1 20 . 1 1 4 4 THR HA H 1 3.606 0.002 . 1 . . . 1 . 96 T HA . 17086 1 21 . 1 1 4 4 THR HB H 1 3.962 0.003 . 1 . . . 1 . 96 T HB . 17086 1 22 . 1 1 4 4 THR HG21 H 1 1.318 0.001 . . . . . 1 . 96 T QG2 . 17086 1 23 . 1 1 4 4 THR HG22 H 1 1.318 0.001 . . . . . 1 . 96 T QG2 . 17086 1 24 . 1 1 4 4 THR HG23 H 1 1.318 0.001 . . . . . 1 . 96 T QG2 . 17086 1 25 . 1 1 5 5 ARG H H 1 9.297 0.001 . 1 . . . 1 . 97 R H . 17086 1 26 . 1 1 5 5 ARG HA H 1 3.839 0.002 . 1 . . . 1 . 97 R HA . 17086 1 27 . 1 1 5 5 ARG HB2 H 1 1.999 0.000 . 2 . . . 1 . 97 R HB2 . 17086 1 28 . 1 1 5 5 ARG HB3 H 1 2.423 0.001 . 2 . . . 1 . 97 R HB3 . 17086 1 29 . 1 1 5 5 ARG HE H 1 7.159 0.003 . 1 . . . 1 . 97 R HE . 17086 1 30 . 1 1 5 5 ARG HG2 H 1 1.655 0.000 . 2 . . . 1 . 97 R QG . 17086 1 31 . 1 1 5 5 ARG HG3 H 1 1.655 0.000 . 2 . . . 1 . 97 R QG . 17086 1 32 . 1 1 6 6 ASN H H 1 8.293 0.001 . 1 . . . 1 . 98 N H . 17086 1 33 . 1 1 6 6 ASN HA H 1 5.057 0.001 . 1 . . . 1 . 98 N HA . 17086 1 34 . 1 1 6 6 ASN HB2 H 1 3.247 0.001 . 2 . . . 1 . 98 N HB2 . 17086 1 35 . 1 1 6 6 ASN HB3 H 1 2.955 0.004 . 2 . . . 1 . 98 N HB3 . 17086 1 36 . 1 1 7 7 SER H H 1 8.448 0.000 . 1 . . . 1 . 99 S H . 17086 1 37 . 1 1 7 7 SER HA H 1 5.209 0.000 . 1 . . . 1 . 99 S HA . 17086 1 38 . 1 1 7 7 SER HB2 H 1 3.823 0.001 . 2 . . . 1 . 99 S QB . 17086 1 39 . 1 1 7 7 SER HB3 H 1 3.823 0.001 . 2 . . . 1 . 99 S QB . 17086 1 40 . 1 1 8 8 CYS H H 1 7.834 0.001 . 1 . . . 1 . 100 C H . 17086 1 41 . 1 1 8 8 CYS HA H 1 5.104 0.000 . 1 . . . 1 . 100 C HA . 17086 1 42 . 1 1 8 8 CYS HB2 H 1 3.263 0.002 . 2 . . . 1 . 100 C HB2 . 17086 1 43 . 1 1 8 8 CYS HB3 H 1 3.135 0.003 . 2 . . . 1 . 100 C HB3 . 17086 1 44 . 1 1 9 9 LYS H H 1 8.950 0.002 . 1 . . . 1 . 101 K H . 17086 1 45 . 1 1 9 9 LYS HA H 1 5.054 0.002 . 1 . . . 1 . 101 K HA . 17086 1 46 . 1 1 9 9 LYS HB2 H 1 1.733 0.002 . 2 . . . 1 . 101 K QB . 17086 1 47 . 1 1 9 9 LYS HB3 H 1 1.733 0.002 . 2 . . . 1 . 101 K QB . 17086 1 48 . 1 1 9 9 LYS HD2 H 1 1.559 0.000 . 2 . . . 1 . 101 K QD . 17086 1 49 . 1 1 9 9 LYS HD3 H 1 1.559 0.000 . 2 . . . 1 . 101 K QD . 17086 1 50 . 1 1 9 9 LYS HE2 H 1 2.939 0.001 . 2 . . . 1 . 101 K QE . 17086 1 51 . 1 1 9 9 LYS HE3 H 1 2.939 0.001 . 2 . . . 1 . 101 K QE . 17086 1 52 . 1 1 9 9 LYS HG2 H 1 1.386 0.000 . 2 . . . 1 . 101 K QG . 17086 1 53 . 1 1 9 9 LYS HG3 H 1 1.386 0.000 . 2 . . . 1 . 101 K QG . 17086 1 54 . 1 1 10 10 PRO HA H 1 3.997 0.000 . 1 . . . 1 . 102 P HA . 17086 1 55 . 1 1 10 10 PRO HB2 H 1 1.822 0.004 . 2 . . . 1 . 102 P HB2 . 17086 1 56 . 1 1 10 10 PRO HB3 H 1 2.218 0.010 . 2 . . . 1 . 102 P HB3 . 17086 1 57 . 1 1 10 10 PRO HD2 H 1 3.623 0.009 . 2 . . . 1 . 102 P HD2 . 17086 1 58 . 1 1 10 10 PRO HD3 H 1 3.739 0.000 . 2 . . . 1 . 102 P HD3 . 17086 1 59 . 1 1 11 11 ALA H H 1 8.439 0.001 . 1 . . . 1 . 103 A H . 17086 1 60 . 1 1 11 11 ALA HA H 1 4.160 0.007 . 1 . . . 1 . 103 A HA . 17086 1 61 . 1 1 11 11 ALA HB1 H 1 1.431 0.000 . . . . . 1 . 103 A QB . 17086 1 62 . 1 1 11 11 ALA HB2 H 1 1.431 0.000 . . . . . 1 . 103 A QB . 17086 1 63 . 1 1 11 11 ALA HB3 H 1 1.431 0.000 . . . . . 1 . 103 A QB . 17086 1 64 . 1 1 12 12 ALA H H 1 7.641 0.002 . 1 . . . 1 . 104 A H . 17086 1 65 . 1 1 12 12 ALA HA H 1 4.590 0.003 . 1 . . . 1 . 104 A HA . 17086 1 66 . 1 1 12 12 ALA HB1 H 1 1.425 0.001 . . . . . 1 . 104 A QB . 17086 1 67 . 1 1 12 12 ALA HB2 H 1 1.425 0.001 . . . . . 1 . 104 A QB . 17086 1 68 . 1 1 12 12 ALA HB3 H 1 1.425 0.001 . . . . . 1 . 104 A QB . 17086 1 69 . 1 1 13 13 ALA H H 1 7.541 0.001 . 1 . . . 1 . 105 A H . 17086 1 70 . 1 1 13 13 ALA HA H 1 4.158 0.004 . 1 . . . 1 . 105 A HA . 17086 1 71 . 1 1 13 13 ALA HB1 H 1 1.327 0.005 . . . . . 1 . 105 A QB . 17086 1 72 . 1 1 13 13 ALA HB2 H 1 1.327 0.005 . . . . . 1 . 105 A QB . 17086 1 73 . 1 1 13 13 ALA HB3 H 1 1.327 0.005 . . . . . 1 . 105 A QB . 17086 1 74 . 1 1 14 14 ALA H H 1 8.293 0.005 . 1 . . . 1 . 106 A H . 17086 1 75 . 1 1 14 14 ALA HA H 1 4.209 0.004 . 1 . . . 1 . 106 A HA . 17086 1 76 . 1 1 14 14 ALA HB1 H 1 1.381 0.005 . . . . . 1 . 106 A QB . 17086 1 77 . 1 1 14 14 ALA HB2 H 1 1.381 0.005 . . . . . 1 . 106 A QB . 17086 1 78 . 1 1 14 14 ALA HB3 H 1 1.381 0.005 . . . . . 1 . 106 A QB . 17086 1 79 . 1 1 15 15 CYS H H 1 8.660 0.003 . 1 . . . 1 . 107 C H . 17086 1 80 . 1 1 15 15 CYS HA H 1 4.966 0.001 . 1 . . . 1 . 107 C HA . 17086 1 81 . 1 1 15 15 CYS HB2 H 1 2.582 0.000 . 2 . . . 1 . 107 C HB2 . 17086 1 82 . 1 1 15 15 CYS HB3 H 1 3.668 0.003 . 2 . . . 1 . 107 C HB3 . 17086 1 83 . 1 1 16 16 CYS H H 1 9.509 0.000 . 1 . . . 1 . 108 C H . 17086 1 84 . 1 1 16 16 CYS HA H 1 4.192 0.000 . 1 . . . 1 . 108 C HA . 17086 1 85 . 1 1 16 16 CYS HB2 H 1 2.615 0.005 . 2 . . . 1 . 108 C HB2 . 17086 1 86 . 1 1 16 16 CYS HB3 H 1 3.145 0.000 . 2 . . . 1 . 108 C HB3 . 17086 1 87 . 1 1 17 17 ASP H H 1 8.672 0.002 . 1 . . . 1 . 109 D H . 17086 1 88 . 1 1 17 17 ASP HB2 H 1 2.462 0.003 . 2 . . . 1 . 109 D HB2 . 17086 1 89 . 1 1 17 17 ASP HB3 H 1 2.717 0.004 . 2 . . . 1 . 109 D HB3 . 17086 1 90 . 1 1 18 18 PRO HA H 1 4.461 0.001 . 1 . . . 1 . 110 P HA . 17086 1 91 . 1 1 18 18 PRO HB2 H 1 1.998 0.003 . 2 . . . 1 . 110 P HB2 . 17086 1 92 . 1 1 18 18 PRO HB3 H 1 2.356 0.002 . 2 . . . 1 . 110 P HB3 . 17086 1 93 . 1 1 18 18 PRO HD2 H 1 4.076 0.000 . 2 . . . 1 . 110 P HD2 . 17086 1 94 . 1 1 19 19 ALA H H 1 8.435 0.001 . 1 . . . 1 . 111 A H . 17086 1 95 . 1 1 19 19 ALA HA H 1 4.342 0.001 . 1 . . . 1 . 111 A HA . 17086 1 96 . 1 1 19 19 ALA HB1 H 1 1.355 0.000 . . . . . 1 . 111 A QB . 17086 1 97 . 1 1 19 19 ALA HB2 H 1 1.355 0.000 . . . . . 1 . 111 A QB . 17086 1 98 . 1 1 19 19 ALA HB3 H 1 1.355 0.000 . . . . . 1 . 111 A QB . 17086 1 99 . 1 1 20 20 ALA H H 1 8.172 0.002 . 1 . . . 1 . 112 A H . 17086 1 100 . 1 1 20 20 ALA HA H 1 4.559 0.000 . 1 . . . 1 . 112 A HA . 17086 1 101 . 1 1 20 20 ALA HB1 H 1 1.347 0.002 . . . . . 1 . 112 A QB . 17086 1 102 . 1 1 20 20 ALA HB2 H 1 1.347 0.002 . . . . . 1 . 112 A QB . 17086 1 103 . 1 1 20 20 ALA HB3 H 1 1.347 0.002 . . . . . 1 . 112 A QB . 17086 1 104 . 1 1 21 21 SER H H 1 8.284 0.001 . 1 . . . 1 . 113 S H . 17086 1 105 . 1 1 21 21 SER HA H 1 4.643 0.001 . 1 . . . 1 . 113 S HA . 17086 1 106 . 1 1 21 21 SER HB2 H 1 3.730 0.000 . 2 . . . 1 . 113 S QB . 17086 1 107 . 1 1 21 21 SER HB3 H 1 3.730 0.000 . 2 . . . 1 . 113 S QB . 17086 1 108 . 1 1 22 22 CYS H H 1 9.004 0.001 . 1 . . . 1 . 114 C H . 17086 1 109 . 1 1 22 22 CYS HA H 1 4.558 0.000 . 1 . . . 1 . 114 C HA . 17086 1 110 . 1 1 22 22 CYS HB2 H 1 2.933 0.000 . 2 . . . 1 . 114 C HB2 . 17086 1 111 . 1 1 23 23 TYR H H 1 8.757 0.001 . 1 . . . 1 . 115 Y H . 17086 1 112 . 1 1 23 23 TYR HA H 1 4.566 0.008 . 1 . . . 1 . 115 Y HA . 17086 1 113 . 1 1 23 23 TYR HB2 H 1 2.853 0.002 . 2 . . . 1 . 115 Y HB2 . 17086 1 114 . 1 1 23 23 TYR HB3 H 1 2.633 0.004 . 2 . . . 1 . 115 Y HB3 . 17086 1 115 . 1 1 23 23 TYR HD1 H 1 6.867 0.003 . 3 . . . 1 . 115 Y QD . 17086 1 116 . 1 1 23 23 TYR HD2 H 1 6.867 0.003 . 3 . . . 1 . 115 Y QD . 17086 1 117 . 1 1 23 23 TYR HE1 H 1 6.708 0.000 . 3 . . . 1 . 115 Y QE . 17086 1 118 . 1 1 23 23 TYR HE2 H 1 6.708 0.000 . 3 . . . 1 . 115 Y QE . 17086 1 119 . 1 1 24 24 CYS H H 1 8.177 0.002 . 1 . . . 1 . 116 C H . 17086 1 120 . 1 1 24 24 CYS HA H 1 4.867 0.000 . 1 . . . 1 . 116 C HA . 17086 1 121 . 1 1 24 24 CYS HB2 H 1 3.127 0.000 . 2 . . . 1 . 116 C HB2 . 17086 1 122 . 1 1 24 24 CYS HB3 H 1 2.563 0.000 . 2 . . . 1 . 116 C HB3 . 17086 1 123 . 1 1 25 25 ARG H H 1 8.096 0.000 . 1 . . . 1 . 117 R H . 17086 1 124 . 1 1 25 25 ARG HA H 1 3.717 0.000 . 1 . . . 1 . 117 R HA . 17086 1 125 . 1 1 25 25 ARG HB2 H 1 1.503 0.002 . 2 . . . 1 . 117 R HB2 . 17086 1 126 . 1 1 25 25 ARG HB3 H 1 1.651 0.000 . 2 . . . 1 . 117 R HB3 . 17086 1 127 . 1 1 25 25 ARG HD2 H 1 3.133 0.000 . 2 . . . 1 . 117 R QD . 17086 1 128 . 1 1 25 25 ARG HD3 H 1 3.133 0.000 . 2 . . . 1 . 117 R QD . 17086 1 129 . 1 1 25 25 ARG HE H 1 7.172 0.000 . 1 . . . 1 . 117 R HE . 17086 1 130 . 1 1 25 25 ARG HG2 H 1 1.183 0.001 . 2 . . . 1 . 117 R QG . 17086 1 131 . 1 1 25 25 ARG HG3 H 1 1.183 0.001 . 2 . . . 1 . 117 R QG . 17086 1 132 . 1 1 26 26 PHE H H 1 7.872 0.001 . 1 . . . 1 . 118 F H . 17086 1 133 . 1 1 26 26 PHE HA H 1 3.834 0.002 . 1 . . . 1 . 118 F HA . 17086 1 134 . 1 1 26 26 PHE HB2 H 1 2.746 0.002 . 2 . . . 1 . 118 F HB2 . 17086 1 135 . 1 1 26 26 PHE HB3 H 1 3.147 0.002 . 2 . . . 1 . 118 F HB3 . 17086 1 136 . 1 1 27 27 PHE H H 1 8.514 0.001 . 1 . . . 1 . 119 F H . 17086 1 137 . 1 1 27 27 PHE HA H 1 4.345 0.001 . 1 . . . 1 . 119 F HA . 17086 1 138 . 1 1 27 27 PHE HB2 H 1 3.121 0.003 . 2 . . . 1 . 119 F HB2 . 17086 1 139 . 1 1 27 27 PHE HB3 H 1 3.085 0.000 . 2 . . . 1 . 119 F HB3 . 17086 1 140 . 1 1 28 28 ARG H H 1 8.596 0.002 . 1 . . . 1 . 120 R H . 17086 1 141 . 1 1 28 28 ARG HA H 1 3.955 0.004 . 1 . . . 1 . 120 R HA . 17086 1 142 . 1 1 28 28 ARG HB2 H 1 1.873 0.003 . 2 . . . 1 . 120 R HB2 . 17086 1 143 . 1 1 28 28 ARG HB3 H 1 1.558 0.001 . 2 . . . 1 . 120 R HB3 . 17086 1 144 . 1 1 28 28 ARG HD2 H 1 2.958 0.002 . 2 . . . 1 . 120 R QD . 17086 1 145 . 1 1 28 28 ARG HD3 H 1 2.958 0.002 . 2 . . . 1 . 120 R QD . 17086 1 146 . 1 1 28 28 ARG HE H 1 7.049 0.002 . 1 . . . 1 . 120 R HE . 17086 1 147 . 1 1 28 28 ARG HG2 H 1 0.899 0.002 . 2 . . . 1 . 120 R HG2 . 17086 1 148 . 1 1 28 28 ARG HG3 H 1 1.131 0.001 . 2 . . . 1 . 120 R HG3 . 17086 1 149 . 1 1 29 29 SER H H 1 7.725 0.001 . 1 . . . 1 . 121 S H . 17086 1 150 . 1 1 29 29 SER HA H 1 4.568 0.002 . 1 . . . 1 . 121 S HA . 17086 1 151 . 1 1 29 29 SER HB2 H 1 3.732 0.000 . 2 . . . 1 . 121 S HB2 . 17086 1 152 . 1 1 29 29 SER HB3 H 1 3.828 0.001 . 2 . . . 1 . 121 S HB3 . 17086 1 153 . 1 1 30 30 ALA H H 1 8.432 0.001 . 1 . . . 1 . 122 A H . 17086 1 154 . 1 1 30 30 ALA HA H 1 4.223 0.006 . 1 . . . 1 . 122 A HA . 17086 1 155 . 1 1 30 30 ALA HB1 H 1 1.532 0.001 . . . . . 1 . 122 A QB . 17086 1 156 . 1 1 30 30 ALA HB2 H 1 1.532 0.001 . . . . . 1 . 122 A QB . 17086 1 157 . 1 1 30 30 ALA HB3 H 1 1.532 0.001 . . . . . 1 . 122 A QB . 17086 1 158 . 1 1 31 31 CYS H H 1 8.381 0.003 . 1 . . . 1 . 123 C H . 17086 1 159 . 1 1 31 31 CYS HA H 1 5.644 0.002 . 1 . . . 1 . 123 C HA . 17086 1 160 . 1 1 31 31 CYS HB2 H 1 3.687 0.010 . 2 . . . 1 . 123 C HB2 . 17086 1 161 . 1 1 31 31 CYS HB3 H 1 2.552 0.000 . 2 . . . 1 . 123 C HB3 . 17086 1 162 . 1 1 32 32 TYR H H 1 9.004 0.001 . 1 . . . 1 . 124 Y H . 17086 1 163 . 1 1 32 32 TYR HA H 1 5.210 0.000 . 1 . . . 1 . 124 Y HA . 17086 1 164 . 1 1 32 32 TYR HB2 H 1 2.493 0.002 . 2 . . . 1 . 124 Y HB2 . 17086 1 165 . 1 1 32 32 TYR HB3 H 1 2.764 0.008 . 2 . . . 1 . 124 Y HB3 . 17086 1 166 . 1 1 32 32 TYR HD1 H 1 6.932 0.002 . 3 . . . 1 . 124 Y QD . 17086 1 167 . 1 1 32 32 TYR HD2 H 1 6.932 0.002 . 3 . . . 1 . 124 Y QD . 17086 1 168 . 1 1 32 32 TYR HE1 H 1 6.755 0.004 . 3 . . . 1 . 124 Y QE . 17086 1 169 . 1 1 32 32 TYR HE2 H 1 6.755 0.004 . 3 . . . 1 . 124 Y QE . 17086 1 170 . 1 1 33 33 CYS H H 1 8.241 0.002 . 1 . . . 1 . 125 C H . 17086 1 171 . 1 1 33 33 CYS HA H 1 4.859 0.005 . 1 . . . 1 . 125 C HA . 17086 1 172 . 1 1 33 33 CYS HB2 H 1 2.679 0.000 . 2 . . . 1 . 125 C HB2 . 17086 1 173 . 1 1 33 33 CYS HB3 H 1 3.114 0.000 . 2 . . . 1 . 125 C HB3 . 17086 1 174 . 1 1 34 34 ARG H H 1 9.328 0.002 . 1 . . . 1 . 126 R H . 17086 1 175 . 1 1 34 34 ARG HA H 1 4.669 0.002 . 1 . . . 1 . 126 R HA . 17086 1 176 . 1 1 34 34 ARG HB2 H 1 1.689 0.006 . 2 . . . 1 . 126 R HB2 . 17086 1 177 . 1 1 34 34 ARG HB3 H 1 1.867 0.002 . 2 . . . 1 . 126 R HB3 . 17086 1 178 . 1 1 34 34 ARG HD2 H 1 2.524 0.000 . 2 . . . 1 . 126 R HD2 . 17086 1 179 . 1 1 34 34 ARG HD3 H 1 2.804 0.000 . 2 . . . 1 . 126 R HD3 . 17086 1 180 . 1 1 34 34 ARG HE H 1 6.792 0.002 . 1 . . . 1 . 126 R HE . 17086 1 181 . 1 1 34 34 ARG HG2 H 1 1.465 0.001 . 2 . . . 1 . 126 R QG . 17086 1 182 . 1 1 34 34 ARG HG3 H 1 1.465 0.001 . 2 . . . 1 . 126 R QG . 17086 1 stop_ save_