################################### # 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 28031 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _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' . . . 28031 1 2 '2D 1H-1H NOESY' . . . 28031 1 3 '2D 1H-13C HSQC' . . . 28031 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_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 GLU H H 1 8.307 0.002 . . . . . . . 1 E HN . 28031 1 2 . 1 . 1 1 1 GLU HA H 1 4.391 0.003 . . . . . . . 1 E HA . 28031 1 3 . 1 . 1 1 1 GLU HB2 H 1 2.107 0.004 . . . . . . . 1 E HB2 . 28031 1 4 . 1 . 1 1 1 GLU HB3 H 1 1.972 0.001 . . . . . . . 1 E HB3 . 28031 1 5 . 1 . 1 1 1 GLU HG2 H 1 2.470 0.009 . . . . . . . 1 E QG . 28031 1 6 . 1 . 1 1 1 GLU HG3 H 1 2.470 0.009 . . . . . . . 1 E QG . 28031 1 7 . 1 . 1 1 1 GLU CB C 13 29.282 0.005 . . . . . . . 1 E CB . 28031 1 8 . 1 . 1 1 1 GLU CG C 13 33.033 0.000 . . . . . . . 1 E CG . 28031 1 9 . 1 . 1 1 1 GLU N N 15 125.734 0.000 . . . . . . . 1 E N . 28031 1 10 . 1 . 1 2 2 SER H H 1 8.407 0.001 . . . . . . . 2 S HN . 28031 1 11 . 1 . 1 2 2 SER HA H 1 4.517 0.002 . . . . . . . 2 S HA . 28031 1 12 . 1 . 1 2 2 SER HB2 H 1 3.851 0.002 . . . . . . . 2 S QB . 28031 1 13 . 1 . 1 2 2 SER HB3 H 1 3.851 0.002 . . . . . . . 2 S QB . 28031 1 14 . 1 . 1 2 2 SER CB C 13 63.891 0.000 . . . . . . . 2 S CB . 28031 1 15 . 1 . 1 3 3 CYS H H 1 8.557 0.001 . . . . . . . 3 C HN . 28031 1 16 . 1 . 1 3 3 CYS HA H 1 5.050 0.004 . . . . . . . 3 C HA . 28031 1 17 . 1 . 1 3 3 CYS HB2 H 1 3.217 0.003 . . . . . . . 3 C HB2 . 28031 1 18 . 1 . 1 3 3 CYS HB3 H 1 2.985 0.003 . . . . . . . 3 C HB3 . 28031 1 19 . 1 . 1 3 3 CYS CB C 13 41.083 0.010 . . . . . . . 3 C CB . 28031 1 20 . 1 . 1 3 3 CYS N N 15 121.508 0.000 . . . . . . . 3 C N . 28031 1 21 . 1 . 1 4 4 PRO HB2 H 1 2.189 0.003 . . . . . . . 4 P HB2 . 28031 1 22 . 1 . 1 4 4 PRO HB3 H 1 2.081 0.003 . . . . . . . 4 P HB3 . 28031 1 23 . 1 . 1 4 4 PRO HG2 H 1 1.942 0.001 . . . . . . . 4 P QG . 28031 1 24 . 1 . 1 4 4 PRO HG3 H 1 1.942 0.001 . . . . . . . 4 P QG . 28031 1 25 . 1 . 1 4 4 PRO HD2 H 1 3.800 0.003 . . . . . . . 4 P HD2 . 28031 1 26 . 1 . 1 4 4 PRO HD3 H 1 3.719 0.005 . . . . . . . 4 P HD3 . 28031 1 27 . 1 . 1 5 5 LYS H H 1 8.586 0.004 . . . . . . . 5 K HN . 28031 1 28 . 1 . 1 5 5 LYS HA H 1 4.768 0.000 . . . . . . . 5 K HA . 28031 1 29 . 1 . 1 5 5 LYS HB2 H 1 2.944 0.005 . . . . . . . 5 K HB2 . 28031 1 30 . 1 . 1 5 5 LYS HB3 H 1 2.861 0.006 . . . . . . . 5 K HB3 . 28031 1 31 . 1 . 1 6 6 CYS H H 1 8.387 0.001 . . . . . . . 6 C HN . 28031 1 32 . 1 . 1 6 6 CYS HA H 1 4.730 0.003 . . . . . . . 6 C HA . 28031 1 33 . 1 . 1 6 6 CYS HB2 H 1 3.264 0.007 . . . . . . . 6 C HB2 . 28031 1 34 . 1 . 1 6 6 CYS HB3 H 1 3.066 0.007 . . . . . . . 6 C HB3 . 28031 1 35 . 1 . 1 7 7 SER H H 1 8.338 0.003 . . . . . . . 7 S HN . 28031 1 36 . 1 . 1 7 7 SER HA H 1 4.520 0.002 . . . . . . . 7 S HA . 28031 1 37 . 1 . 1 7 7 SER HB2 H 1 3.832 0.001 . . . . . . . 7 S QB . 28031 1 38 . 1 . 1 7 7 SER HB3 H 1 3.832 0.001 . . . . . . . 7 S QB . 28031 1 39 . 1 . 1 7 7 SER N N 15 117.170 0.000 . . . . . . . 7 S N . 28031 1 40 . 1 . 1 8 8 PRO HA H 1 4.410 0.007 . . . . . . . 8 P HA . 28031 1 41 . 1 . 1 8 8 PRO HB2 H 1 2.314 0.005 . . . . . . . 8 P HB2 . 28031 1 42 . 1 . 1 8 8 PRO HB3 H 1 2.103 0.009 . . . . . . . 8 P HB3 . 28031 1 43 . 1 . 1 8 8 PRO HG2 H 1 2.019 0.009 . . . . . . . 8 P HG2 . 28031 1 44 . 1 . 1 8 8 PRO HG3 H 1 1.925 0.003 . . . . . . . 8 P HG3 . 28031 1 45 . 1 . 1 8 8 PRO HD2 H 1 3.876 0.005 . . . . . . . 8 P HD2 . 28031 1 46 . 1 . 1 8 8 PRO HD3 H 1 3.717 0.004 . . . . . . . 8 P HD3 . 28031 1 47 . 1 . 1 8 8 PRO CG C 13 32.051 0.000 . . . . . . . 8 P CG . 28031 1 48 . 1 . 1 9 9 GLY H H 1 8.602 0.001 . . . . . . . 9 G HN . 28031 1 49 . 1 . 1 9 9 GLY HA2 H 1 4.089 0.005 . . . . . . . 9 G HA2 . 28031 1 50 . 1 . 1 9 9 GLY HA3 H 1 3.753 0.003 . . . . . . . 9 G HA3 . 28031 1 51 . 1 . 1 9 9 GLY CA C 13 45.320 0.000 . . . . . . . 9 G CA . 28031 1 52 . 1 . 1 10 10 TYR H H 1 8.284 0.001 . . . . . . . 10 Y HN . 28031 1 53 . 1 . 1 10 10 TYR HA H 1 4.728 0.000 . . . . . . . 10 Y HA . 28031 1 54 . 1 . 1 10 10 TYR HB2 H 1 3.169 0.008 . . . . . . . 10 Y HB2 . 28031 1 55 . 1 . 1 10 10 TYR HB3 H 1 2.889 0.004 . . . . . . . 10 Y HB3 . 28031 1 56 . 1 . 1 10 10 TYR HD1 H 1 6.815 0.001 . . . . . . . 10 Y QD . 28031 1 57 . 1 . 1 10 10 TYR HD2 H 1 6.815 0.001 . . . . . . . 10 Y QD . 28031 1 58 . 1 . 1 10 10 TYR HE1 H 1 6.988 0.003 . . . . . . . 10 Y QE . 28031 1 59 . 1 . 1 10 10 TYR HE2 H 1 6.988 0.003 . . . . . . . 10 Y QE . 28031 1 60 . 1 . 1 10 10 TYR HH H 1 7.620 0.002 . . . . . . . 10 Y HH . 28031 1 61 . 1 . 1 10 10 TYR CB C 13 40.619 0.000 . . . . . . . 10 Y CB . 28031 1 62 . 1 . 1 10 10 TYR N N 15 119.997 0.000 . . . . . . . 10 Y N . 28031 1 63 . 1 . 1 11 11 ARG HB2 H 1 1.807 0.004 . . . . . . . 11 R HB2 . 28031 1 64 . 1 . 1 11 11 ARG HB3 H 1 1.729 0.005 . . . . . . . 11 R HB3 . 28031 1 65 . 1 . 1 11 11 ARG HG2 H 1 1.521 0.003 . . . . . . . 11 R QG . 28031 1 66 . 1 . 1 11 11 ARG HG3 H 1 1.521 0.003 . . . . . . . 11 R QG . 28031 1 67 . 1 . 1 11 11 ARG HD2 H 1 3.160 0.004 . . . . . . . 11 R QD . 28031 1 68 . 1 . 1 11 11 ARG HD3 H 1 3.160 0.004 . . . . . . . 11 R QD . 28031 1 69 . 1 . 1 11 11 ARG HE H 1 7.128 0.005 . . . . . . . 11 R HE . 28031 1 70 . 1 . 1 11 11 ARG CB C 13 31.565 0.010 . . . . . . . 11 R CB . 28031 1 71 . 1 . 1 11 11 ARG CG C 13 26.995 0.000 . . . . . . . 11 R CG . 28031 1 72 . 1 . 1 12 12 VAL H H 1 8.264 0.004 . . . . . . . 12 V HN . 28031 1 73 . 1 . 1 12 12 VAL HA H 1 4.240 0.001 . . . . . . . 12 V HA . 28031 1 74 . 1 . 1 12 12 VAL HB H 1 2.084 0.005 . . . . . . . 12 V HB . 28031 1 75 . 1 . 1 12 12 VAL HG11 H 1 0.944 0.004 . . . . . . . 12 V QG . 28031 1 76 . 1 . 1 12 12 VAL HG12 H 1 0.944 0.004 . . . . . . . 12 V QG . 28031 1 77 . 1 . 1 12 12 VAL HG13 H 1 0.944 0.004 . . . . . . . 12 V QG . 28031 1 78 . 1 . 1 12 12 VAL HG21 H 1 0.944 0.004 . . . . . . . 12 V QG . 28031 1 79 . 1 . 1 12 12 VAL HG22 H 1 0.944 0.004 . . . . . . . 12 V QG . 28031 1 80 . 1 . 1 12 12 VAL HG23 H 1 0.944 0.004 . . . . . . . 12 V QG . 28031 1 81 . 1 . 1 12 12 VAL CB C 13 27.686 0.000 . . . . . . . 12 V CB . 28031 1 82 . 1 . 1 13 13 LYS H H 1 8.578 0.001 . . . . . . . 13 K HN . 28031 1 83 . 1 . 1 13 13 LYS HA H 1 4.287 0.003 . . . . . . . 13 K HA . 28031 1 84 . 1 . 1 13 13 LYS HB2 H 1 1.813 0.004 . . . . . . . 13 K QB . 28031 1 85 . 1 . 1 13 13 LYS HB3 H 1 1.813 0.004 . . . . . . . 13 K QB . 28031 1 86 . 1 . 1 13 13 LYS HG2 H 1 1.450 0.005 . . . . . . . 13 K HG2 . 28031 1 87 . 1 . 1 13 13 LYS HG3 H 1 1.382 0.005 . . . . . . . 13 K HG3 . 28031 1 88 . 1 . 1 13 13 LYS HD2 H 1 1.674 0.008 . . . . . . . 13 K QD . 28031 1 89 . 1 . 1 13 13 LYS HD3 H 1 1.674 0.008 . . . . . . . 13 K QD . 28031 1 90 . 1 . 1 13 13 LYS HE3 H 1 2.998 0.021 . . . . . . . 13 K HE3 . 28031 1 91 . 1 . 1 13 13 LYS CB C 13 33.328 0.000 . . . . . . . 13 K CB . 28031 1 92 . 1 . 1 13 13 LYS CG C 13 25.057 0.003 . . . . . . . 13 K CG . 28031 1 93 . 1 . 1 13 13 LYS CD C 13 29.287 0.000 . . . . . . . 13 K CD . 28031 1 94 . 1 . 1 14 14 GLU H H 1 8.339 0.000 . . . . . . . 14 E HN . 28031 1 95 . 1 . 1 14 14 GLU HA H 1 4.419 0.012 . . . . . . . 14 E HA . 28031 1 96 . 1 . 1 14 14 GLU HB2 H 1 2.114 0.006 . . . . . . . 14 E HB2 . 28031 1 97 . 1 . 1 14 14 GLU HB3 H 1 1.959 0.001 . . . . . . . 14 E HB3 . 28031 1 98 . 1 . 1 14 14 GLU CB C 13 29.948 0.003 . . . . . . . 14 E CB . 28031 1 99 . 1 . 1 14 14 GLU CG C 13 32.872 0.000 . . . . . . . 14 E CG . 28031 1 100 . 1 . 1 15 15 ALA H H 1 8.338 0.002 . . . . . . . 15 A HN . 28031 1 101 . 1 . 1 15 15 ALA HA H 1 4.344 0.004 . . . . . . . 15 A HA . 28031 1 102 . 1 . 1 15 15 ALA HB1 H 1 1.406 0.001 . . . . . . . 15 A HB . 28031 1 103 . 1 . 1 15 15 ALA HB2 H 1 1.406 0.001 . . . . . . . 15 A HB . 28031 1 104 . 1 . 1 15 15 ALA HB3 H 1 1.406 0.001 . . . . . . . 15 A HB . 28031 1 105 . 1 . 1 15 15 ALA CB C 13 19.150 0.000 . . . . . . . 15 A CB . 28031 1 106 . 1 . 1 15 15 ALA N N 15 124.086 0.000 . . . . . . . 15 A N . 28031 1 107 . 1 . 1 16 16 CYS H H 1 8.372 0.005 . . . . . . . 16 C HN . 28031 1 108 . 1 . 1 16 16 CYS HA H 1 4.591 0.003 . . . . . . . 16 C HA . 28031 1 109 . 1 . 1 16 16 CYS HB2 H 1 3.333 0.005 . . . . . . . 16 C HB2 . 28031 1 110 . 1 . 1 16 16 CYS HB3 H 1 3.177 0.002 . . . . . . . 16 C HB3 . 28031 1 111 . 1 . 1 16 16 CYS N N 15 117.939 0.000 . . . . . . . 16 C N . 28031 1 112 . 1 . 1 17 17 GLY H H 1 8.471 0.008 . . . . . . . 17 G HN . 28031 1 113 . 1 . 1 17 17 GLY HA2 H 1 4.049 0.006 . . . . . . . 17 G HA2 . 28031 1 114 . 1 . 1 17 17 GLY HA3 H 1 3.971 0.004 . . . . . . . 17 G HA3 . 28031 1 115 . 1 . 1 17 17 GLY CA C 13 45.630 0.000 . . . . . . . 17 G CA . 28031 1 116 . 1 . 1 17 17 GLY N N 15 110.436 0.000 . . . . . . . 17 G N . 28031 1 117 . 1 . 1 18 18 GLU H H 1 8.280 0.002 . . . . . . . 18 E HN . 28031 1 118 . 1 . 1 18 18 GLU HA H 1 4.355 0.003 . . . . . . . 18 E HA . 28031 1 119 . 1 . 1 18 18 GLU HB2 H 1 2.157 0.004 . . . . . . . 18 E HB2 . 28031 1 120 . 1 . 1 18 18 GLU HB3 H 1 2.033 0.004 . . . . . . . 18 E HB3 . 28031 1 121 . 1 . 1 18 18 GLU HG2 H 1 2.477 0.004 . . . . . . . 18 E QG . 28031 1 122 . 1 . 1 18 18 GLU HG3 H 1 2.477 0.004 . . . . . . . 18 E QG . 28031 1 123 . 1 . 1 18 18 GLU CB C 13 28.862 0.001 . . . . . . . 18 E CB . 28031 1 124 . 1 . 1 18 18 GLU N N 15 125.639 0.000 . . . . . . . 18 E N . 28031 1 125 . 1 . 1 19 19 LEU H H 1 8.316 0.003 . . . . . . . 19 L HN . 28031 1 126 . 1 . 1 19 19 LEU HA H 1 4.439 0.004 . . . . . . . 19 L HA . 28031 1 127 . 1 . 1 19 19 LEU HB2 H 1 1.738 0.001 . . . . . . . 19 L HB2 . 28031 1 128 . 1 . 1 19 19 LEU HB3 H 1 1.640 0.000 . . . . . . . 19 L HB3 . 28031 1 129 . 1 . 1 19 19 LEU HG H 1 1.641 0.004 . . . . . . . 19 L HG . 28031 1 130 . 1 . 1 19 19 LEU HD11 H 1 0.939 0.001 . . . . . . . 19 L HD1 . 28031 1 131 . 1 . 1 19 19 LEU HD12 H 1 0.939 0.001 . . . . . . . 19 L HD1 . 28031 1 132 . 1 . 1 19 19 LEU HD13 H 1 0.939 0.001 . . . . . . . 19 L HD1 . 28031 1 133 . 1 . 1 19 19 LEU HD21 H 1 0.881 0.001 . . . . . . . 19 L HD2 . 28031 1 134 . 1 . 1 19 19 LEU HD22 H 1 0.881 0.001 . . . . . . . 19 L HD2 . 28031 1 135 . 1 . 1 19 19 LEU HD23 H 1 0.881 0.001 . . . . . . . 19 L HD2 . 28031 1 136 . 1 . 1 19 19 LEU CB C 13 42.387 0.004 . . . . . . . 19 L CB . 28031 1 137 . 1 . 1 19 19 LEU CG C 13 27.093 0.000 . . . . . . . 19 L CG . 28031 1 138 . 1 . 1 19 19 LEU CD1 C 13 23.407 0.000 . . . . . . . 19 L CD . 28031 1 139 . 1 . 1 19 19 LEU CD2 C 13 23.407 0.000 . . . . . . . 19 L CD . 28031 1 140 . 1 . 1 20 20 THR H H 1 8.019 0.005 . . . . . . . 20 T HN . 28031 1 141 . 1 . 1 20 20 THR HA H 1 4.331 0.005 . . . . . . . 20 T HA . 28031 1 142 . 1 . 1 20 20 THR HB H 1 4.249 0.004 . . . . . . . 20 T HB . 28031 1 143 . 1 . 1 20 20 THR HG21 H 1 1.208 0.007 . . . . . . . 20 T HG . 28031 1 144 . 1 . 1 20 20 THR HG22 H 1 1.208 0.007 . . . . . . . 20 T HG . 28031 1 145 . 1 . 1 20 20 THR HG23 H 1 1.208 0.007 . . . . . . . 20 T HG . 28031 1 146 . 1 . 1 20 20 THR N N 15 114.031 0.000 . . . . . . . 20 T N . 28031 1 147 . 1 . 1 21 21 GLY H H 1 8.448 0.002 . . . . . . . 21 G HN . 28031 1 148 . 1 . 1 21 21 GLY HA2 H 1 4.088 0.004 . . . . . . . 21 G HA2 . 28031 1 149 . 1 . 1 21 21 GLY HA3 H 1 3.975 0.003 . . . . . . . 21 G HA3 . 28031 1 150 . 1 . 1 21 21 GLY CA C 13 45.417 0.000 . . . . . . . 21 G CA . 28031 1 151 . 1 . 1 21 21 GLY N N 15 111.173 0.000 . . . . . . . 21 G N . 28031 1 152 . 1 . 1 22 22 THR H H 1 8.024 0.004 . . . . . . . 22 T HN . 28031 1 153 . 1 . 1 22 22 THR HA H 1 4.381 0.010 . . . . . . . 22 T HA . 28031 1 154 . 1 . 1 22 22 THR HB H 1 4.222 0.005 . . . . . . . 22 T HB . 28031 1 155 . 1 . 1 22 22 THR HG21 H 1 1.203 0.005 . . . . . . . 22 T HG . 28031 1 156 . 1 . 1 22 22 THR HG22 H 1 1.203 0.005 . . . . . . . 22 T HG . 28031 1 157 . 1 . 1 22 22 THR HG23 H 1 1.203 0.005 . . . . . . . 22 T HG . 28031 1 158 . 1 . 1 22 22 THR CG2 C 13 21.537 0.000 . . . . . . . 22 T CG . 28031 1 159 . 1 . 1 22 22 THR N N 15 114.860 0.000 . . . . . . . 22 T N . 28031 1 160 . 1 . 1 23 23 VAL H H 1 8.103 0.003 . . . . . . . 23 V HN . 28031 1 161 . 1 . 1 23 23 VAL HA H 1 4.213 0.006 . . . . . . . 23 V HA . 28031 1 162 . 1 . 1 23 23 VAL HB H 1 2.111 0.004 . . . . . . . 23 V HB . 28031 1 163 . 1 . 1 23 23 VAL HG11 H 1 0.944 0.002 . . . . . . . 23 V QG . 28031 1 164 . 1 . 1 23 23 VAL HG12 H 1 0.944 0.002 . . . . . . . 23 V QG . 28031 1 165 . 1 . 1 23 23 VAL HG13 H 1 0.944 0.002 . . . . . . . 23 V QG . 28031 1 166 . 1 . 1 23 23 VAL HG21 H 1 0.944 0.002 . . . . . . . 23 V QG . 28031 1 167 . 1 . 1 23 23 VAL HG22 H 1 0.944 0.002 . . . . . . . 23 V QG . 28031 1 168 . 1 . 1 23 23 VAL HG23 H 1 0.944 0.002 . . . . . . . 23 V QG . 28031 1 169 . 1 . 1 24 24 CYS H H 1 8.482 0.005 . . . . . . . 24 C HN . 28031 1 170 . 1 . 1 24 24 CYS HA H 1 4.683 0.000 . . . . . . . 24 C HA . 28031 1 171 . 1 . 1 24 24 CYS HB2 H 1 3.158 0.009 . . . . . . . 24 C HB2 . 28031 1 172 . 1 . 1 24 24 CYS HB3 H 1 2.898 0.001 . . . . . . . 24 C HB3 . 28031 1 173 . 1 . 1 24 24 CYS CB C 13 43.458 0.000 . . . . . . . 24 C CB . 28031 1 174 . 1 . 1 25 25 GLU H H 1 8.209 0.001 . . . . . . . 25 E HN . 28031 1 175 . 1 . 1 25 25 GLU HA H 1 4.604 0.000 . . . . . . . 25 E HA . 28031 1 176 . 1 . 1 25 25 GLU HB2 H 1 2.045 0.004 . . . . . . . 25 E HB2 . 28031 1 177 . 1 . 1 25 25 GLU HB3 H 1 1.847 0.000 . . . . . . . 25 E HB3 . 28031 1 178 . 1 . 1 25 25 GLU HG2 H 1 2.468 0.000 . . . . . . . 25 E HG2 . 28031 1 179 . 1 . 1 25 25 GLU HG3 H 1 2.404 0.000 . . . . . . . 25 E HG3 . 28031 1 180 . 1 . 1 26 26 PRO HA H 1 4.444 0.002 . . . . . . . 26 P HA . 28031 1 181 . 1 . 1 26 26 PRO HB2 H 1 2.277 0.003 . . . . . . . 26 P QB . 28031 1 182 . 1 . 1 26 26 PRO HB3 H 1 2.277 0.003 . . . . . . . 26 P QB . 28031 1 183 . 1 . 1 26 26 PRO HG2 H 1 2.007 0.003 . . . . . . . 26 P HG2 . 28031 1 184 . 1 . 1 26 26 PRO HG3 H 1 1.940 0.003 . . . . . . . 26 P HG3 . 28031 1 185 . 1 . 1 26 26 PRO HD2 H 1 3.819 0.003 . . . . . . . 26 P HD2 . 28031 1 186 . 1 . 1 26 26 PRO HD3 H 1 3.712 0.002 . . . . . . . 26 P HD3 . 28031 1 stop_ save_