################################### # 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_RCB-1_assigned_chem_shift_list _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode RCB-1_assigned_chem_shift_list _Assigned_chem_shift_list.Entry_ID 25169 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $RCB-1_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $RCB-1_chemical_shifts _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' . . . 25169 1 2 '2D 1H-1H NOESY' . . . 25169 1 3 '2D DQF-COSY' . . . 25169 1 4 '2D 1H-15N HSQC' . . . 25169 1 5 '2D 1H-13C HSQC' . . . 25169 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 ALA HA H 1 3.984 0.000 . . . . . A 1 ALA HA . 25169 1 2 . 1 1 1 1 ALA HB1 H 1 1.253 0.000 . . . . . A 1 ALA HB1 . 25169 1 3 . 1 1 1 1 ALA HB2 H 1 1.253 0.000 . . . . . A 1 ALA HB2 . 25169 1 4 . 1 1 1 1 ALA HB3 H 1 1.253 0.000 . . . . . A 1 ALA HB3 . 25169 1 5 . 1 1 1 1 ALA CA C 13 51.611 0.000 . . . . . A 1 ALA CA . 25169 1 6 . 1 1 1 1 ALA CB C 13 19.586 0.000 . . . . . A 1 ALA CB . 25169 1 7 . 1 1 2 2 ARG H H 1 8.729 0.004 . . . . . A 2 ARG H . 25169 1 8 . 1 1 2 2 ARG HA H 1 4.406 0.000 . . . . . A 2 ARG HA . 25169 1 9 . 1 1 2 2 ARG HB2 H 1 1.650 0.000 . . . . . A 2 ARG HB2 . 25169 1 10 . 1 1 2 2 ARG HB3 H 1 1.588 0.000 . . . . . A 2 ARG HB3 . 25169 1 11 . 1 1 2 2 ARG HG2 H 1 1.473 0.000 . . . . . A 2 ARG HG2 . 25169 1 12 . 1 1 2 2 ARG HG3 H 1 1.473 0.000 . . . . . A 2 ARG HG3 . 25169 1 13 . 1 1 2 2 ARG HD2 H 1 3.043 0.000 . . . . . A 2 ARG HD2 . 25169 1 14 . 1 1 2 2 ARG HD3 H 1 3.043 0.000 . . . . . A 2 ARG HD3 . 25169 1 15 . 1 1 2 2 ARG CA C 13 55.314 0.000 . . . . . A 2 ARG CA . 25169 1 16 . 1 1 2 2 ARG CB C 13 32.045 0.016 . . . . . A 2 ARG CB . 25169 1 17 . 1 1 2 2 ARG N N 15 120.203 0.000 . . . . . A 2 ARG N . 25169 1 18 . 1 1 3 3 CYS H H 1 9.237 0.002 . . . . . A 3 CYS H . 25169 1 19 . 1 1 3 3 CYS HA H 1 4.227 0.000 . . . . . A 3 CYS HA . 25169 1 20 . 1 1 3 3 CYS HB2 H 1 2.841 0.000 . . . . . A 3 CYS HB2 . 25169 1 21 . 1 1 3 3 CYS HB3 H 1 2.732 0.000 . . . . . A 3 CYS HB3 . 25169 1 22 . 1 1 3 3 CYS CA C 13 58.289 0.000 . . . . . A 3 CYS CA . 25169 1 23 . 1 1 3 3 CYS CB C 13 42.127 0.005 . . . . . A 3 CYS CB . 25169 1 24 . 1 1 3 3 CYS N N 15 124.206 0.000 . . . . . A 3 CYS N . 25169 1 25 . 1 1 4 4 CYS H H 1 8.979 0.000 . . . . . A 4 CYS H . 25169 1 26 . 1 1 4 4 CYS HA H 1 4.796 0.000 . . . . . A 4 CYS HA . 25169 1 27 . 1 1 4 4 CYS HB2 H 1 2.801 0.000 . . . . . A 4 CYS HB2 . 25169 1 28 . 1 1 4 4 CYS HB3 H 1 2.699 0.000 . . . . . A 4 CYS HB3 . 25169 1 29 . 1 1 4 4 CYS CB C 13 40.190 0.005 . . . . . A 4 CYS CB . 25169 1 30 . 1 1 4 4 CYS N N 15 129.560 0.000 . . . . . A 4 CYS N . 25169 1 31 . 1 1 5 5 LEU H H 1 7.652 0.000 . . . . . A 5 LEU H . 25169 1 32 . 1 1 5 5 LEU HA H 1 4.368 0.000 . . . . . A 5 LEU HA . 25169 1 33 . 1 1 5 5 LEU HB2 H 1 1.409 0.000 . . . . . A 5 LEU HB2 . 25169 1 34 . 1 1 5 5 LEU HB3 H 1 1.299 0.000 . . . . . A 5 LEU HB3 . 25169 1 35 . 1 1 5 5 LEU HG H 1 1.151 0.000 . . . . . A 5 LEU HG . 25169 1 36 . 1 1 5 5 LEU HD11 H 1 0.773 0.000 . . . . . A 5 LEU HD11 . 25169 1 37 . 1 1 5 5 LEU HD12 H 1 0.773 0.000 . . . . . A 5 LEU HD12 . 25169 1 38 . 1 1 5 5 LEU HD13 H 1 0.773 0.000 . . . . . A 5 LEU HD13 . 25169 1 39 . 1 1 5 5 LEU HD21 H 1 0.635 0.000 . . . . . A 5 LEU HD21 . 25169 1 40 . 1 1 5 5 LEU HD22 H 1 0.635 0.000 . . . . . A 5 LEU HD22 . 25169 1 41 . 1 1 5 5 LEU HD23 H 1 0.635 0.000 . . . . . A 5 LEU HD23 . 25169 1 42 . 1 1 5 5 LEU CA C 13 55.950 0.000 . . . . . A 5 LEU CA . 25169 1 43 . 1 1 5 5 LEU CB C 13 44.899 0.010 . . . . . A 5 LEU CB . 25169 1 44 . 1 1 5 5 LEU N N 15 123.287 0.000 . . . . . A 5 LEU N . 25169 1 45 . 1 1 6 6 VAL H H 1 8.475 0.003 . . . . . A 6 VAL H . 25169 1 46 . 1 1 6 6 VAL HA H 1 4.441 0.000 . . . . . A 6 VAL HA . 25169 1 47 . 1 1 6 6 VAL HB H 1 1.710 0.000 . . . . . A 6 VAL HB . 25169 1 48 . 1 1 6 6 VAL HG11 H 1 0.773 0.000 . . . . . A 6 VAL HG11 . 25169 1 49 . 1 1 6 6 VAL HG12 H 1 0.773 0.000 . . . . . A 6 VAL HG12 . 25169 1 50 . 1 1 6 6 VAL HG13 H 1 0.773 0.000 . . . . . A 6 VAL HG13 . 25169 1 51 . 1 1 6 6 VAL HG21 H 1 0.700 0.000 . . . . . A 6 VAL HG21 . 25169 1 52 . 1 1 6 6 VAL HG22 H 1 0.700 0.000 . . . . . A 6 VAL HG22 . 25169 1 53 . 1 1 6 6 VAL HG23 H 1 0.700 0.000 . . . . . A 6 VAL HG23 . 25169 1 54 . 1 1 6 6 VAL CA C 13 57.277 0.000 . . . . . A 6 VAL CA . 25169 1 55 . 1 1 6 6 VAL CB C 13 34.170 0.000 . . . . . A 6 VAL CB . 25169 1 56 . 1 1 6 6 VAL N N 15 126.471 0.000 . . . . . A 6 VAL N . 25169 1 57 . 1 1 7 7 MET H H 1 8.478 0.002 . . . . . A 7 MET H . 25169 1 58 . 1 1 7 7 MET HA H 1 4.335 0.001 . . . . . A 7 MET HA . 25169 1 59 . 1 1 7 7 MET HB2 H 1 2.059 0.000 . . . . . A 7 MET HB2 . 25169 1 60 . 1 1 7 7 MET HB3 H 1 1.929 0.000 . . . . . A 7 MET HB3 . 25169 1 61 . 1 1 7 7 MET HG2 H 1 2.641 0.000 . . . . . A 7 MET HG2 . 25169 1 62 . 1 1 7 7 MET HG3 H 1 2.590 0.000 . . . . . A 7 MET HG3 . 25169 1 63 . 1 1 7 7 MET CA C 13 54.526 0.000 . . . . . A 7 MET CA . 25169 1 64 . 1 1 7 7 MET CB C 13 34.112 0.000 . . . . . A 7 MET CB . 25169 1 65 . 1 1 7 7 MET N N 15 125.079 0.000 . . . . . A 7 MET N . 25169 1 66 . 1 1 8 8 PRO HA H 1 4.602 0.001 . . . . . A 8 PRO HA . 25169 1 67 . 1 1 8 8 PRO HB2 H 1 2.129 0.000 . . . . . A 8 PRO HB2 . 25169 1 68 . 1 1 8 8 PRO HB3 H 1 2.062 0.002 . . . . . A 8 PRO HB3 . 25169 1 69 . 1 1 8 8 PRO HG2 H 1 2.017 0.004 . . . . . A 8 PRO HG2 . 25169 1 70 . 1 1 8 8 PRO HG3 H 1 1.794 0.000 . . . . . A 8 PRO HG3 . 25169 1 71 . 1 1 8 8 PRO HD2 H 1 3.704 0.000 . . . . . A 8 PRO HD2 . 25169 1 72 . 1 1 8 8 PRO HD3 H 1 3.704 0.000 . . . . . A 8 PRO HD3 . 25169 1 73 . 1 1 8 8 PRO CA C 13 61.549 0.000 . . . . . A 8 PRO CA . 25169 1 74 . 1 1 8 8 PRO CB C 13 31.542 0.015 . . . . . A 8 PRO CB . 25169 1 75 . 1 1 8 8 PRO CG C 13 26.833 0.015 . . . . . A 8 PRO CG . 25169 1 76 . 1 1 9 9 VAL H H 1 6.646 0.001 . . . . . A 9 VAL H . 25169 1 77 . 1 1 9 9 VAL HA H 1 4.420 0.002 . . . . . A 9 VAL HA . 25169 1 78 . 1 1 9 9 VAL HB H 1 1.981 0.000 . . . . . A 9 VAL HB . 25169 1 79 . 1 1 9 9 VAL HG11 H 1 0.725 0.000 . . . . . A 9 VAL HG11 . 25169 1 80 . 1 1 9 9 VAL HG12 H 1 0.725 0.000 . . . . . A 9 VAL HG12 . 25169 1 81 . 1 1 9 9 VAL HG13 H 1 0.725 0.000 . . . . . A 9 VAL HG13 . 25169 1 82 . 1 1 9 9 VAL HG21 H 1 0.518 0.000 . . . . . A 9 VAL HG21 . 25169 1 83 . 1 1 9 9 VAL HG22 H 1 0.518 0.000 . . . . . A 9 VAL HG22 . 25169 1 84 . 1 1 9 9 VAL HG23 H 1 0.518 0.000 . . . . . A 9 VAL HG23 . 25169 1 85 . 1 1 9 9 VAL CA C 13 60.032 0.000 . . . . . A 9 VAL CA . 25169 1 86 . 1 1 9 9 VAL CB C 13 32.492 0.000 . . . . . A 9 VAL CB . 25169 1 87 . 1 1 9 9 VAL N N 15 112.083 0.000 . . . . . A 9 VAL N . 25169 1 88 . 1 1 10 10 PRO HA H 1 2.875 0.001 . . . . . A 10 PRO HA . 25169 1 89 . 1 1 10 10 PRO HB2 H 1 1.953 0.000 . . . . . A 10 PRO HB2 . 25169 1 90 . 1 1 10 10 PRO HB3 H 1 1.364 0.005 . . . . . A 10 PRO HB3 . 25169 1 91 . 1 1 10 10 PRO HG2 H 1 1.830 0.001 . . . . . A 10 PRO HG2 . 25169 1 92 . 1 1 10 10 PRO HG3 H 1 1.735 0.001 . . . . . A 10 PRO HG3 . 25169 1 93 . 1 1 10 10 PRO HD2 H 1 3.387 0.032 . . . . . A 10 PRO HD2 . 25169 1 94 . 1 1 10 10 PRO HD3 H 1 3.310 0.003 . . . . . A 10 PRO HD3 . 25169 1 95 . 1 1 10 10 PRO CA C 13 61.584 0.000 . . . . . A 10 PRO CA . 25169 1 96 . 1 1 10 10 PRO CB C 13 30.139 0.023 . . . . . A 10 PRO CB . 25169 1 97 . 1 1 10 10 PRO CG C 13 27.050 0.034 . . . . . A 10 PRO CG . 25169 1 98 . 1 1 11 11 PRO HA H 1 4.247 0.004 . . . . . A 11 PRO HA . 25169 1 99 . 1 1 11 11 PRO HB2 H 1 2.308 0.000 . . . . . A 11 PRO HB2 . 25169 1 100 . 1 1 11 11 PRO HB3 H 1 1.878 0.003 . . . . . A 11 PRO HB3 . 25169 1 101 . 1 1 11 11 PRO HG2 H 1 1.845 0.001 . . . . . A 11 PRO HG2 . 25169 1 102 . 1 1 11 11 PRO HG3 H 1 1.297 0.004 . . . . . A 11 PRO HG3 . 25169 1 103 . 1 1 11 11 PRO HD2 H 1 3.314 0.003 . . . . . A 11 PRO HD2 . 25169 1 104 . 1 1 11 11 PRO HD3 H 1 3.182 0.004 . . . . . A 11 PRO HD3 . 25169 1 105 . 1 1 11 11 PRO CA C 13 63.725 0.000 . . . . . A 11 PRO CA . 25169 1 106 . 1 1 11 11 PRO CB C 13 32.597 0.022 . . . . . A 11 PRO CB . 25169 1 107 . 1 1 11 11 PRO CG C 13 24.794 0.062 . . . . . A 11 PRO CG . 25169 1 108 . 1 1 12 12 PHE H H 1 9.193 0.001 . . . . . A 12 PHE H . 25169 1 109 . 1 1 12 12 PHE HA H 1 4.227 0.000 . . . . . A 12 PHE HA . 25169 1 110 . 1 1 12 12 PHE HB2 H 1 3.147 0.004 . . . . . A 12 PHE HB2 . 25169 1 111 . 1 1 12 12 PHE HB3 H 1 2.873 0.001 . . . . . A 12 PHE HB3 . 25169 1 112 . 1 1 12 12 PHE HD1 H 1 7.014 0.000 . . . . . A 12 PHE HD1 . 25169 1 113 . 1 1 12 12 PHE HD2 H 1 7.014 0.000 . . . . . A 12 PHE HD2 . 25169 1 114 . 1 1 12 12 PHE HE1 H 1 7.115 0.002 . . . . . A 12 PHE HE1 . 25169 1 115 . 1 1 12 12 PHE HE2 H 1 7.115 0.002 . . . . . A 12 PHE HE2 . 25169 1 116 . 1 1 12 12 PHE CA C 13 58.186 0.000 . . . . . A 12 PHE CA . 25169 1 117 . 1 1 12 12 PHE CB C 13 35.143 0.005 . . . . . A 12 PHE CB . 25169 1 118 . 1 1 12 12 PHE N N 15 123.347 0.000 . . . . . A 12 PHE N . 25169 1 119 . 1 1 13 13 ALA H H 1 6.983 0.000 . . . . . A 13 ALA H . 25169 1 120 . 1 1 13 13 ALA HA H 1 4.154 0.000 . . . . . A 13 ALA HA . 25169 1 121 . 1 1 13 13 ALA HB1 H 1 1.209 0.000 . . . . . A 13 ALA HB1 . 25169 1 122 . 1 1 13 13 ALA HB2 H 1 1.209 0.000 . . . . . A 13 ALA HB2 . 25169 1 123 . 1 1 13 13 ALA HB3 H 1 1.209 0.000 . . . . . A 13 ALA HB3 . 25169 1 124 . 1 1 13 13 ALA CA C 13 51.717 0.000 . . . . . A 13 ALA CA . 25169 1 125 . 1 1 13 13 ALA CB C 13 19.667 0.000 . . . . . A 13 ALA CB . 25169 1 126 . 1 1 13 13 ALA N N 15 118.951 0.000 . . . . . A 13 ALA N . 25169 1 127 . 1 1 14 14 CYS H H 1 8.719 0.001 . . . . . A 14 CYS H . 25169 1 128 . 1 1 14 14 CYS HA H 1 4.264 0.000 . . . . . A 14 CYS HA . 25169 1 129 . 1 1 14 14 CYS HB2 H 1 2.764 0.000 . . . . . A 14 CYS HB2 . 25169 1 130 . 1 1 14 14 CYS HB3 H 1 2.480 0.000 . . . . . A 14 CYS HB3 . 25169 1 131 . 1 1 14 14 CYS CA C 13 58.350 0.000 . . . . . A 14 CYS CA . 25169 1 132 . 1 1 14 14 CYS CB C 13 42.848 0.020 . . . . . A 14 CYS CB . 25169 1 133 . 1 1 14 14 CYS N N 15 119.170 0.000 . . . . . A 14 CYS N . 25169 1 134 . 1 1 15 15 VAL H H 1 8.837 0.001 . . . . . A 15 VAL H . 25169 1 135 . 1 1 15 15 VAL HA H 1 3.962 0.000 . . . . . A 15 VAL HA . 25169 1 136 . 1 1 15 15 VAL HB H 1 1.782 0.000 . . . . . A 15 VAL HB . 25169 1 137 . 1 1 15 15 VAL HG11 H 1 0.737 0.000 . . . . . A 15 VAL HG11 . 25169 1 138 . 1 1 15 15 VAL HG12 H 1 0.737 0.000 . . . . . A 15 VAL HG12 . 25169 1 139 . 1 1 15 15 VAL HG13 H 1 0.737 0.000 . . . . . A 15 VAL HG13 . 25169 1 140 . 1 1 15 15 VAL HG21 H 1 0.625 0.000 . . . . . A 15 VAL HG21 . 25169 1 141 . 1 1 15 15 VAL HG22 H 1 0.625 0.000 . . . . . A 15 VAL HG22 . 25169 1 142 . 1 1 15 15 VAL HG23 H 1 0.625 0.000 . . . . . A 15 VAL HG23 . 25169 1 143 . 1 1 15 15 VAL CA C 13 62.738 0.000 . . . . . A 15 VAL CA . 25169 1 144 . 1 1 15 15 VAL CB C 13 32.855 0.000 . . . . . A 15 VAL CB . 25169 1 145 . 1 1 15 15 VAL N N 15 126.774 0.000 . . . . . A 15 VAL N . 25169 1 146 . 1 1 16 16 LYS H H 1 7.315 0.004 . . . . . A 16 LYS H . 25169 1 147 . 1 1 16 16 LYS HA H 1 4.368 0.000 . . . . . A 16 LYS HA . 25169 1 148 . 1 1 16 16 LYS HB2 H 1 1.488 0.000 . . . . . A 16 LYS HB2 . 25169 1 149 . 1 1 16 16 LYS HB3 H 1 1.488 0.000 . . . . . A 16 LYS HB3 . 25169 1 150 . 1 1 16 16 LYS HG2 H 1 1.179 0.000 . . . . . A 16 LYS HG2 . 25169 1 151 . 1 1 16 16 LYS HG3 H 1 1.179 0.000 . . . . . A 16 LYS HG3 . 25169 1 152 . 1 1 16 16 LYS HD2 H 1 1.268 0.000 . . . . . A 16 LYS HD2 . 25169 1 153 . 1 1 16 16 LYS HD3 H 1 1.268 0.000 . . . . . A 16 LYS HD3 . 25169 1 154 . 1 1 16 16 LYS HE2 H 1 2.790 0.000 . . . . . A 16 LYS HE2 . 25169 1 155 . 1 1 16 16 LYS HE3 H 1 2.790 0.000 . . . . . A 16 LYS HE3 . 25169 1 156 . 1 1 16 16 LYS CA C 13 56.399 0.000 . . . . . A 16 LYS CA . 25169 1 157 . 1 1 16 16 LYS CB C 13 36.496 0.000 . . . . . A 16 LYS CB . 25169 1 158 . 1 1 16 16 LYS N N 15 120.776 0.000 . . . . . A 16 LYS N . 25169 1 159 . 1 1 17 17 PHE H H 1 9.192 0.000 . . . . . A 17 PHE H . 25169 1 160 . 1 1 17 17 PHE HA H 1 4.751 0.000 . . . . . A 17 PHE HA . 25169 1 161 . 1 1 17 17 PHE HB2 H 1 2.950 0.000 . . . . . A 17 PHE HB2 . 25169 1 162 . 1 1 17 17 PHE HB3 H 1 2.734 0.000 . . . . . A 17 PHE HB3 . 25169 1 163 . 1 1 17 17 PHE HD1 H 1 6.999 0.000 . . . . . A 17 PHE HD1 . 25169 1 164 . 1 1 17 17 PHE HD2 H 1 6.999 0.000 . . . . . A 17 PHE HD2 . 25169 1 165 . 1 1 17 17 PHE HE1 H 1 7.161 0.003 . . . . . A 17 PHE HE1 . 25169 1 166 . 1 1 17 17 PHE HE2 H 1 7.161 0.003 . . . . . A 17 PHE HE2 . 25169 1 167 . 1 1 17 17 PHE CB C 13 39.778 0.009 . . . . . A 17 PHE CB . 25169 1 168 . 1 1 17 17 PHE N N 15 127.566 0.000 . . . . . A 17 PHE N . 25169 1 169 . 1 1 18 18 CYS H H 1 9.067 0.002 . . . . . A 18 CYS H . 25169 1 170 . 1 1 18 18 CYS HA H 1 4.725 0.000 . . . . . A 18 CYS HA . 25169 1 171 . 1 1 18 18 CYS HB2 H 1 3.142 0.000 . . . . . A 18 CYS HB2 . 25169 1 172 . 1 1 18 18 CYS HB3 H 1 2.675 0.000 . . . . . A 18 CYS HB3 . 25169 1 173 . 1 1 18 18 CYS CB C 13 39.572 0.000 . . . . . A 18 CYS CB . 25169 1 174 . 1 1 18 18 CYS N N 15 120.458 0.000 . . . . . A 18 CYS N . 25169 1 175 . 1 1 19 19 SER H H 1 8.333 0.001 . . . . . A 19 SER H . 25169 1 176 . 1 1 19 19 SER HA H 1 4.161 0.000 . . . . . A 19 SER HA . 25169 1 177 . 1 1 19 19 SER HB2 H 1 3.737 0.000 . . . . . A 19 SER HB2 . 25169 1 178 . 1 1 19 19 SER HB3 H 1 3.737 0.000 . . . . . A 19 SER HB3 . 25169 1 179 . 1 1 19 19 SER CA C 13 59.947 0.000 . . . . . A 19 SER CA . 25169 1 180 . 1 1 19 19 SER CB C 13 64.262 0.000 . . . . . A 19 SER CB . 25169 1 181 . 1 1 19 19 SER N N 15 121.948 0.000 . . . . . A 19 SER N . 25169 1 stop_ save_