################################### # 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 15751 _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' . . . 15751 1 2 '2D 1H-1H NOESY' . . . 15751 1 3 '2D DQF-COSY' . . . 15751 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 2 $Analysis . . 15751 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 ARG HH21 H 1 1.233 0.000 . 1 . . . . 1 ARG HH21 . 15751 1 2 . 1 1 1 1 ARG HH22 H 1 1.233 0.000 . 1 . . . . 1 ARG HH22 . 15751 1 3 . 1 1 3 3 THR H H 1 8.956 0.002 . 1 . . . . 3 THR H . 15751 1 4 . 1 1 3 3 THR HA H 1 4.479 0.003 . 1 . . . . 3 THR HA . 15751 1 5 . 1 1 3 3 THR HB H 1 4.083 0.004 . 1 . . . . 3 THR HB . 15751 1 6 . 1 1 3 3 THR HG1 H 1 4.725 0.001 . 1 . . . . 3 THR HG1 . 15751 1 7 . 1 1 3 3 THR HG21 H 1 1.187 0.001 . 1 . . . . 3 THR HG21 . 15751 1 8 . 1 1 3 3 THR HG22 H 1 1.187 0.001 . 1 . . . . 3 THR HG22 . 15751 1 9 . 1 1 3 3 THR HG23 H 1 1.187 0.001 . 1 . . . . 3 THR HG23 . 15751 1 10 . 1 1 4 4 CYS H H 1 8.708 0.002 . 1 . . . . 4 CYS H . 15751 1 11 . 1 1 4 4 CYS HA H 1 5.689 0.003 . 1 . . . . 4 CYS HA . 15751 1 12 . 1 1 4 4 CYS HB2 H 1 2.509 0.006 . 2 . . . . 4 CYS HB2 . 15751 1 13 . 1 1 4 4 CYS HB3 H 1 3.066 0.007 . 2 . . . . 4 CYS HB3 . 15751 1 14 . 1 1 5 5 HIS H H 1 9.089 0.003 . 1 . . . . 5 HIS H . 15751 1 15 . 1 1 5 5 HIS HA H 1 4.660 0.004 . 1 . . . . 5 HIS HA . 15751 1 16 . 1 1 5 5 HIS HB2 H 1 2.641 0.006 . 2 . . . . 5 HIS HB2 . 15751 1 17 . 1 1 5 5 HIS HB3 H 1 3.158 0.005 . 2 . . . . 5 HIS HB3 . 15751 1 18 . 1 1 5 5 HIS HD1 H 1 7.377 0.003 . 1 . . . . 5 HIS HD1 . 15751 1 19 . 1 1 5 5 HIS HE1 H 1 8.434 0.007 . 1 . . . . 5 HIS HE1 . 15751 1 20 . 1 1 6 6 CYS H H 1 9.157 0.001 . 1 . . . . 6 CYS H . 15751 1 21 . 1 1 6 6 CYS HA H 1 5.439 0.018 . 1 . . . . 6 CYS HA . 15751 1 22 . 1 1 6 6 CYS HB2 H 1 2.666 0.006 . 2 . . . . 6 CYS HB2 . 15751 1 23 . 1 1 6 6 CYS HB3 H 1 2.924 0.005 . 2 . . . . 6 CYS HB3 . 15751 1 24 . 1 1 7 7 ARG H H 1 9.648 0.003 . 1 . . . . 7 ARG H . 15751 1 25 . 1 1 7 7 ARG HA H 1 4.874 0.002 . 1 . . . . 7 ARG HA . 15751 1 26 . 1 1 7 7 ARG HB2 H 1 1.842 0.013 . 1 . . . . 7 ARG HB2 . 15751 1 27 . 1 1 7 7 ARG HB3 H 1 1.824 0.006 . 1 . . . . 7 ARG HB3 . 15751 1 28 . 1 1 7 7 ARG HD2 H 1 3.226 0.002 . 1 . . . . 7 ARG HD2 . 15751 1 29 . 1 1 7 7 ARG HD3 H 1 3.238 0.000 . 1 . . . . 7 ARG HD3 . 15751 1 30 . 1 1 7 7 ARG HE H 1 5.445 0.001 . 1 . . . . 7 ARG HE . 15751 1 31 . 1 1 7 7 ARG HG2 H 1 1.571 0.005 . 1 . . . . 7 ARG HG2 . 15751 1 32 . 1 1 7 7 ARG HG3 H 1 1.566 0.005 . 1 . . . . 7 ARG HG3 . 15751 1 33 . 1 1 7 7 ARG HH11 H 1 4.727 0.000 . 1 . . . . 7 ARG HH11 . 15751 1 34 . 1 1 7 7 ARG HH12 H 1 4.727 0.000 . 1 . . . . 7 ARG HH12 . 15751 1 35 . 1 1 7 7 ARG HH21 H 1 1.815 0.000 . 1 . . . . 7 ARG HH21 . 15751 1 36 . 1 1 7 7 ARG HH22 H 1 1.815 0.000 . 1 . . . . 7 ARG HH22 . 15751 1 37 . 1 1 8 8 SER H H 1 8.962 0.000 . 1 . . . . 8 SER H . 15751 1 38 . 1 1 8 8 SER HA H 1 4.227 0.005 . 1 . . . . 8 SER HA . 15751 1 39 . 1 1 8 8 SER HB2 H 1 3.760 0.005 . 2 . . . . 8 SER HB2 . 15751 1 40 . 1 1 8 8 SER HB3 H 1 3.878 0.005 . 2 . . . . 8 SER HB3 . 15751 1 41 . 1 1 9 9 ARG H H 1 7.112 0.001 . 1 . . . . 9 ARG H . 15751 1 42 . 1 1 9 9 ARG HA H 1 4.512 0.004 . 1 . . . . 9 ARG HA . 15751 1 43 . 1 1 9 9 ARG HB2 H 1 1.648 0.005 . 2 . . . . 9 ARG HB2 . 15751 1 44 . 1 1 9 9 ARG HB3 H 1 1.728 0.002 . 2 . . . . 9 ARG HB3 . 15751 1 45 . 1 1 9 9 ARG HD2 H 1 3.224 0.000 . 1 . . . . 9 ARG HD2 . 15751 1 46 . 1 1 9 9 ARG HD3 H 1 3.223 0.001 . 1 . . . . 9 ARG HD3 . 15751 1 47 . 1 1 10 10 CYS H H 1 8.931 0.002 . 1 . . . . 10 CYS H . 15751 1 48 . 1 1 10 10 CYS HA H 1 4.876 0.005 . 1 . . . . 10 CYS HA . 15751 1 49 . 1 1 10 10 CYS HB2 H 1 2.787 0.006 . 2 . . . . 10 CYS HB2 . 15751 1 50 . 1 1 10 10 CYS HB3 H 1 3.278 0.005 . 2 . . . . 10 CYS HB3 . 15751 1 51 . 1 1 11 11 LEU H H 1 8.639 0.004 . 1 . . . . 11 LEU H . 15751 1 52 . 1 1 11 11 LEU HA H 1 4.419 0.005 . 1 . . . . 11 LEU HA . 15751 1 53 . 1 1 11 11 LEU HB2 H 1 1.548 0.004 . 2 . . . . 11 LEU HB2 . 15751 1 54 . 1 1 11 11 LEU HB3 H 1 1.665 0.005 . 2 . . . . 11 LEU HB3 . 15751 1 55 . 1 1 11 11 LEU HD11 H 1 0.792 0.004 . 2 . . . . 11 LEU HD11 . 15751 1 56 . 1 1 11 11 LEU HD12 H 1 0.792 0.004 . 2 . . . . 11 LEU HD12 . 15751 1 57 . 1 1 11 11 LEU HD13 H 1 0.792 0.004 . 2 . . . . 11 LEU HD13 . 15751 1 58 . 1 1 11 11 LEU HD21 H 1 0.823 0.004 . 2 . . . . 11 LEU HD21 . 15751 1 59 . 1 1 11 11 LEU HD22 H 1 0.823 0.004 . 2 . . . . 11 LEU HD22 . 15751 1 60 . 1 1 11 11 LEU HD23 H 1 0.823 0.004 . 2 . . . . 11 LEU HD23 . 15751 1 61 . 1 1 11 11 LEU HG H 1 1.353 0.006 . 1 . . . . 11 LEU HG . 15751 1 62 . 1 1 12 12 ARG H H 1 8.296 0.002 . 1 . . . . 12 ARG H . 15751 1 63 . 1 1 12 12 ARG HA H 1 4.049 0.003 . 1 . . . . 12 ARG HA . 15751 1 64 . 1 1 12 12 ARG HB2 H 1 1.781 0.004 . 2 . . . . 12 ARG HB2 . 15751 1 65 . 1 1 12 12 ARG HB3 H 1 1.874 0.005 . 2 . . . . 12 ARG HB3 . 15751 1 66 . 1 1 12 12 ARG HD2 H 1 3.249 0.000 . 1 . . . . 12 ARG HD2 . 15751 1 67 . 1 1 12 12 ARG HD3 H 1 3.246 0.003 . 1 . . . . 12 ARG HD3 . 15751 1 68 . 1 1 12 12 ARG HG2 H 1 1.716 0.000 . 1 . . . . 12 ARG HG2 . 15751 1 69 . 1 1 12 12 ARG HG3 H 1 1.716 0.000 . 1 . . . . 12 ARG HG3 . 15751 1 70 . 1 1 13 13 ARG H H 1 8.398 0.002 . 1 . . . . 13 ARG H . 15751 1 71 . 1 1 13 13 ARG HA H 1 4.112 0.004 . 1 . . . . 13 ARG HA . 15751 1 72 . 1 1 13 13 ARG HB2 H 1 2.044 0.001 . 1 . . . . 13 ARG HB2 . 15751 1 73 . 1 1 13 13 ARG HB3 H 1 2.039 0.004 . 1 . . . . 13 ARG HB3 . 15751 1 74 . 1 1 13 13 ARG HD2 H 1 3.890 0.000 . 1 . . . . 13 ARG HD2 . 15751 1 75 . 1 1 13 13 ARG HD3 H 1 3.895 0.001 . 1 . . . . 13 ARG HD3 . 15751 1 76 . 1 1 13 13 ARG HG2 H 1 3.167 0.001 . 1 . . . . 13 ARG HG2 . 15751 1 77 . 1 1 13 13 ARG HG3 H 1 3.177 0.005 . 1 . . . . 13 ARG HG3 . 15751 1 78 . 1 1 13 13 ARG HH12 H 1 5.411 0.000 . 1 . . . . 13 ARG HH12 . 15751 1 79 . 1 1 13 13 ARG HH22 H 1 5.406 0.001 . 1 . . . . 13 ARG HH22 . 15751 1 80 . 1 1 14 14 GLU H H 1 7.823 0.003 . 1 . . . . 14 GLU H . 15751 1 81 . 1 1 14 14 GLU HA H 1 4.573 0.003 . 1 . . . . 14 GLU HA . 15751 1 82 . 1 1 14 14 GLU HB2 H 1 2.164 0.004 . 2 . . . . 14 GLU HB2 . 15751 1 83 . 1 1 14 14 GLU HB3 H 1 2.383 0.006 . 2 . . . . 14 GLU HB3 . 15751 1 84 . 1 1 14 14 GLU HG2 H 1 1.591 0.005 . 2 . . . . 14 GLU HG2 . 15751 1 85 . 1 1 14 14 GLU HG3 H 1 1.888 0.004 . 2 . . . . 14 GLU HG3 . 15751 1 86 . 1 1 15 15 SER H H 1 9.217 0.004 . 1 . . . . 15 SER H . 15751 1 87 . 1 1 15 15 SER HA H 1 4.757 0.000 . 1 . . . . 15 SER HA . 15751 1 88 . 1 1 16 16 ASN H H 1 9.153 0.002 . 1 . . . . 16 ASN H . 15751 1 89 . 1 1 16 16 ASN HA H 1 4.726 0.001 . 1 . . . . 16 ASN HA . 15751 1 90 . 1 1 16 16 ASN HB2 H 1 2.798 0.004 . 2 . . . . 16 ASN HB2 . 15751 1 91 . 1 1 16 16 ASN HB3 H 1 3.082 0.005 . 2 . . . . 16 ASN HB3 . 15751 1 92 . 1 1 16 16 ASN HD21 H 1 6.723 0.004 . 1 . . . . 16 ASN HD21 . 15751 1 93 . 1 1 16 16 ASN HD22 H 1 7.430 0.001 . 1 . . . . 16 ASN HD22 . 15751 1 94 . 1 1 17 17 SER H H 1 9.400 0.003 . 1 . . . . 17 SER H . 15751 1 95 . 1 1 17 17 SER HA H 1 4.786 0.004 . 1 . . . . 17 SER HA . 15751 1 96 . 1 1 17 17 SER HB2 H 1 3.505 0.005 . 2 . . . . 17 SER HB2 . 15751 1 97 . 1 1 17 17 SER HB3 H 1 4.029 0.005 . 2 . . . . 17 SER HB3 . 15751 1 98 . 1 1 18 18 GLY H H 1 8.046 0.004 . 1 . . . . 18 GLY H . 15751 1 99 . 1 1 18 18 GLY HA2 H 1 3.928 0.005 . 2 . . . . 18 GLY HA2 . 15751 1 100 . 1 1 18 18 GLY HA3 H 1 4.556 0.004 . 2 . . . . 18 GLY HA3 . 15751 1 101 . 1 1 19 19 SER H H 1 8.745 0.001 . 1 . . . . 19 SER H . 15751 1 102 . 1 1 19 19 SER HA H 1 5.355 0.004 . 1 . . . . 19 SER HA . 15751 1 103 . 1 1 20 20 CYS H H 1 8.490 0.006 . 1 . . . . 20 CYS H . 15751 1 104 . 1 1 20 20 CYS HA H 1 4.881 0.001 . 1 . . . . 20 CYS HA . 15751 1 105 . 1 1 20 20 CYS HB2 H 1 3.208 0.003 . 2 . . . . 20 CYS HB2 . 15751 1 106 . 1 1 20 20 CYS HB3 H 1 3.332 0.005 . 2 . . . . 20 CYS HB3 . 15751 1 107 . 1 1 21 21 ASN H H 1 8.741 0.004 . 1 . . . . 21 ASN H . 15751 1 108 . 1 1 21 21 ASN HA H 1 4.927 0.008 . 1 . . . . 21 ASN HA . 15751 1 109 . 1 1 21 21 ASN HB2 H 1 2.474 0.007 . 2 . . . . 21 ASN HB2 . 15751 1 110 . 1 1 21 21 ASN HB3 H 1 2.769 0.005 . 2 . . . . 21 ASN HB3 . 15751 1 111 . 1 1 21 21 ASN HD21 H 1 6.614 0.002 . 1 . . . . 21 ASN HD21 . 15751 1 112 . 1 1 21 21 ASN HD22 H 1 7.242 0.002 . 1 . . . . 21 ASN HD22 . 15751 1 113 . 1 1 22 22 ILE H H 1 8.822 0.004 . 1 . . . . 22 ILE H . 15751 1 114 . 1 1 22 22 ILE HA H 1 4.309 0.004 . 1 . . . . 22 ILE HA . 15751 1 115 . 1 1 22 22 ILE HB H 1 3.186 0.000 . 1 . . . . 22 ILE HB . 15751 1 116 . 1 1 22 22 ILE HD11 H 1 0.598 0.004 . 1 . . . . 22 ILE HD11 . 15751 1 117 . 1 1 22 22 ILE HD12 H 1 0.598 0.004 . 1 . . . . 22 ILE HD12 . 15751 1 118 . 1 1 22 22 ILE HD13 H 1 0.598 0.004 . 1 . . . . 22 ILE HD13 . 15751 1 119 . 1 1 22 22 ILE HG21 H 1 0.812 0.003 . 1 . . . . 22 ILE HG21 . 15751 1 120 . 1 1 22 22 ILE HG22 H 1 0.812 0.003 . 1 . . . . 22 ILE HG22 . 15751 1 121 . 1 1 22 22 ILE HG23 H 1 0.812 0.003 . 1 . . . . 22 ILE HG23 . 15751 1 122 . 1 1 23 23 ASN H H 1 7.704 0.001 . 1 . . . . 23 ASN H . 15751 1 123 . 1 1 23 23 ASN HA H 1 4.413 0.003 . 1 . . . . 23 ASN HA . 15751 1 124 . 1 1 23 23 ASN HB2 H 1 3.144 0.003 . 1 . . . . 23 ASN HB2 . 15751 1 125 . 1 1 23 23 ASN HD21 H 1 6.616 0.001 . 1 . . . . 23 ASN HD21 . 15751 1 126 . 1 1 23 23 ASN HD22 H 1 7.246 0.002 . 1 . . . . 23 ASN HD22 . 15751 1 127 . 1 1 24 24 GLY H H 1 8.325 0.003 . 1 . . . . 24 GLY H . 15751 1 128 . 1 1 24 24 GLY HA2 H 1 3.665 0.007 . 2 . . . . 24 GLY HA2 . 15751 1 129 . 1 1 24 24 GLY HA3 H 1 4.222 0.004 . 2 . . . . 24 GLY HA3 . 15751 1 130 . 1 1 25 25 ARG H H 1 7.709 0.003 . 1 . . . . 25 ARG H . 15751 1 131 . 1 1 25 25 ARG HA H 1 4.441 0.006 . 1 . . . . 25 ARG HA . 15751 1 132 . 1 1 25 25 ARG HB2 H 1 1.586 0.002 . 2 . . . . 25 ARG HB2 . 15751 1 133 . 1 1 25 25 ARG HB3 H 1 1.739 0.002 . 2 . . . . 25 ARG HB3 . 15751 1 134 . 1 1 25 25 ARG HD2 H 1 3.192 0.000 . 1 . . . . 25 ARG HD2 . 15751 1 135 . 1 1 25 25 ARG HD3 H 1 3.189 0.003 . 1 . . . . 25 ARG HD3 . 15751 1 136 . 1 1 25 25 ARG HG2 H 1 1.430 0.000 . 1 . . . . 25 ARG HG2 . 15751 1 137 . 1 1 25 25 ARG HG3 H 1 1.420 0.009 . 1 . . . . 25 ARG HG3 . 15751 1 138 . 1 1 26 26 ILE H H 1 8.077 0.002 . 1 . . . . 26 ILE H . 15751 1 139 . 1 1 26 26 ILE HA H 1 4.663 0.005 . 1 . . . . 26 ILE HA . 15751 1 140 . 1 1 26 26 ILE HB H 1 1.775 0.003 . 1 . . . . 26 ILE HB . 15751 1 141 . 1 1 26 26 ILE HD11 H 1 0.739 0.004 . 1 . . . . 26 ILE HD11 . 15751 1 142 . 1 1 26 26 ILE HD12 H 1 0.739 0.004 . 1 . . . . 26 ILE HD12 . 15751 1 143 . 1 1 26 26 ILE HD13 H 1 0.739 0.004 . 1 . . . . 26 ILE HD13 . 15751 1 144 . 1 1 26 26 ILE HG12 H 1 1.249 0.009 . 2 . . . . 26 ILE HG12 . 15751 1 145 . 1 1 26 26 ILE HG13 H 1 1.448 0.004 . 2 . . . . 26 ILE HG13 . 15751 1 146 . 1 1 26 26 ILE HG21 H 1 0.935 0.003 . 1 . . . . 26 ILE HG21 . 15751 1 147 . 1 1 26 26 ILE HG22 H 1 0.935 0.003 . 1 . . . . 26 ILE HG22 . 15751 1 148 . 1 1 26 26 ILE HG23 H 1 0.935 0.003 . 1 . . . . 26 ILE HG23 . 15751 1 149 . 1 1 27 27 PHE H H 1 8.964 0.003 . 1 . . . . 27 PHE H . 15751 1 150 . 1 1 27 27 PHE HA H 1 4.981 0.004 . 1 . . . . 27 PHE HA . 15751 1 151 . 1 1 27 27 PHE HB2 H 1 2.603 0.005 . 2 . . . . 27 PHE HB2 . 15751 1 152 . 1 1 27 27 PHE HB3 H 1 3.227 0.001 . 2 . . . . 27 PHE HB3 . 15751 1 153 . 1 1 27 27 PHE HD1 H 1 7.021 0.002 . 3 . . . . 27 PHE HD1 . 15751 1 154 . 1 1 27 27 PHE HD2 H 1 7.021 0.002 . 3 . . . . 27 PHE HD2 . 15751 1 155 . 1 1 27 27 PHE HE1 H 1 7.113 0.000 . 3 . . . . 27 PHE HE1 . 15751 1 156 . 1 1 27 27 PHE HE2 H 1 7.113 0.000 . 3 . . . . 27 PHE HE2 . 15751 1 157 . 1 1 27 27 PHE HZ H 1 7.310 0.004 . 1 . . . . 27 PHE HZ . 15751 1 158 . 1 1 28 28 SER H H 1 8.732 0.002 . 1 . . . . 28 SER H . 15751 1 159 . 1 1 28 28 SER HA H 1 4.795 0.136 . 1 . . . . 28 SER HA . 15751 1 160 . 1 1 28 28 SER HB2 H 1 3.670 0.001 . 2 . . . . 28 SER HB2 . 15751 1 161 . 1 1 28 28 SER HB3 H 1 3.753 0.003 . 2 . . . . 28 SER HB3 . 15751 1 162 . 1 1 29 29 LEU H H 1 8.422 0.004 . 1 . . . . 29 LEU H . 15751 1 163 . 1 1 29 29 LEU HA H 1 4.481 0.004 . 1 . . . . 29 LEU HA . 15751 1 164 . 1 1 29 29 LEU HB2 H 1 1.535 0.004 . 1 . . . . 29 LEU HB2 . 15751 1 165 . 1 1 29 29 LEU HB3 H 1 1.528 0.004 . 1 . . . . 29 LEU HB3 . 15751 1 166 . 1 1 29 29 LEU HD11 H 1 0.690 0.003 . 2 . . . . 29 LEU HD11 . 15751 1 167 . 1 1 29 29 LEU HD12 H 1 0.690 0.003 . 2 . . . . 29 LEU HD12 . 15751 1 168 . 1 1 29 29 LEU HD13 H 1 0.690 0.003 . 2 . . . . 29 LEU HD13 . 15751 1 169 . 1 1 29 29 LEU HD21 H 1 0.775 0.005 . 2 . . . . 29 LEU HD21 . 15751 1 170 . 1 1 29 29 LEU HD22 H 1 0.775 0.005 . 2 . . . . 29 LEU HD22 . 15751 1 171 . 1 1 29 29 LEU HD23 H 1 0.775 0.005 . 2 . . . . 29 LEU HD23 . 15751 1 172 . 1 1 29 29 LEU HG H 1 1.273 0.003 . 1 . . . . 29 LEU HG . 15751 1 173 . 1 1 30 30 CYS H H 1 8.770 0.003 . 1 . . . . 30 CYS H . 15751 1 174 . 1 1 30 30 CYS HA H 1 5.347 0.007 . 1 . . . . 30 CYS HA . 15751 1 175 . 1 1 30 30 CYS HB2 H 1 2.872 0.007 . 2 . . . . 30 CYS HB2 . 15751 1 176 . 1 1 30 30 CYS HB3 H 1 3.162 0.004 . 2 . . . . 30 CYS HB3 . 15751 1 177 . 1 1 31 31 CYS H H 1 9.083 0.003 . 1 . . . . 31 CYS H . 15751 1 178 . 1 1 31 31 CYS HA H 1 5.758 0.001 . 1 . . . . 31 CYS HA . 15751 1 179 . 1 1 31 31 CYS HB2 H 1 2.811 0.005 . 2 . . . . 31 CYS HB2 . 15751 1 180 . 1 1 31 31 CYS HB3 H 1 3.042 0.004 . 2 . . . . 31 CYS HB3 . 15751 1 181 . 1 1 32 32 ARG H H 1 8.796 0.002 . 1 . . . . 32 ARG H . 15751 1 182 . 1 1 32 32 ARG HA H 1 4.447 0.004 . 1 . . . . 32 ARG HA . 15751 1 183 . 1 1 32 32 ARG HB2 H 1 1.931 0.002 . 1 . . . . 32 ARG HB2 . 15751 1 184 . 1 1 32 32 ARG HB3 H 1 1.924 0.003 . 1 . . . . 32 ARG HB3 . 15751 1 185 . 1 1 32 32 ARG HD2 H 1 3.185 0.000 . 1 . . . . 32 ARG HD2 . 15751 1 186 . 1 1 32 32 ARG HD3 H 1 3.188 0.001 . 1 . . . . 32 ARG HD3 . 15751 1 187 . 1 1 32 32 ARG HG2 H 1 1.751 0.004 . 1 . . . . 32 ARG HG2 . 15751 1 188 . 1 1 32 32 ARG HG3 H 1 1.745 0.001 . 1 . . . . 32 ARG HG3 . 15751 1 stop_ save_