################################### # 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 17528 _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 DQF-COSY' . . . 17528 1 2 '2D 1H-1H NOESY' . . . 17528 1 3 '2D 1H-1H TOCSY' . . . 17528 1 stop_ loop_ _Systematic_chem_shift_offset.Type _Systematic_chem_shift_offset.Atom_type _Systematic_chem_shift_offset.Atom_isotope_number _Systematic_chem_shift_offset.Val _Systematic_chem_shift_offset.Val_err _Systematic_chem_shift_offset.Entry_ID _Systematic_chem_shift_offset.Assigned_chem_shift_list_ID '2H isotope effect' . . . . 17528 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 ASP HA H 1 4.207 0.002 . 1 . . . . 1 ASP HA . 17528 1 2 . 1 1 1 1 ASP HB2 H 1 2.755 0.003 . 2 . . . . 1 ASP HB2 . 17528 1 3 . 1 1 1 1 ASP HB3 H 1 2.592 0.004 . 2 . . . . 1 ASP HB3 . 17528 1 4 . 1 1 2 2 VAL H H 1 8.557 0.005 . 1 . . . . 2 VAL H . 17528 1 5 . 1 1 2 2 VAL HA H 1 4.077 0.002 . 1 . . . . 2 VAL HA . 17528 1 6 . 1 1 2 2 VAL HB H 1 2.001 0.005 . 1 . . . . 2 VAL HB . 17528 1 7 . 1 1 2 2 VAL HG11 H 1 0.841 0.003 . 1 . . . . 2 VAL HG1 . 17528 1 8 . 1 1 2 2 VAL HG12 H 1 0.841 0.003 . 1 . . . . 2 VAL HG1 . 17528 1 9 . 1 1 2 2 VAL HG13 H 1 0.841 0.003 . 1 . . . . 2 VAL HG1 . 17528 1 10 . 1 1 2 2 VAL HG21 H 1 0.841 0.003 . 1 . . . . 2 VAL HG2 . 17528 1 11 . 1 1 2 2 VAL HG22 H 1 0.841 0.003 . 1 . . . . 2 VAL HG2 . 17528 1 12 . 1 1 2 2 VAL HG23 H 1 0.841 0.003 . 1 . . . . 2 VAL HG2 . 17528 1 13 . 1 1 3 3 ASN H H 1 8.461 0.002 . 1 . . . . 3 ASN H . 17528 1 14 . 1 1 3 3 ASN HA H 1 4.763 0 . 1 . . . . 3 ASN HA . 17528 1 15 . 1 1 3 3 ASN HB2 H 1 2.698 0.001 . 1 . . . . 3 ASN HB2 . 17528 1 16 . 1 1 3 3 ASN HB3 H 1 2.698 0.001 . 1 . . . . 3 ASN HB3 . 17528 1 17 . 1 1 3 3 ASN HD21 H 1 6.84 0 . 2 . . . . 3 ASN HD21 . 17528 1 18 . 1 1 3 3 ASN HD22 H 1 7.525 0.004 . 2 . . . . 3 ASN HD22 . 17528 1 19 . 1 1 4 4 GLU H H 1 8.446 0.003 . 1 . . . . 4 GLU H . 17528 1 20 . 1 1 4 4 GLU HA H 1 4.306 0 . 1 . . . . 4 GLU HA . 17528 1 21 . 1 1 4 4 GLU HB2 H 1 2.255 0 . 2 . . . . 4 GLU HB2 . 17528 1 22 . 1 1 4 4 GLU HB3 H 1 2.246 0 . 2 . . . . 4 GLU HB3 . 17528 1 23 . 1 1 4 4 GLU HG2 H 1 2.005 0.003 . 2 . . . . 4 GLU HG2 . 17528 1 24 . 1 1 4 4 GLU HG3 H 1 1.835 0.004 . 2 . . . . 4 GLU HG3 . 17528 1 25 . 1 1 5 5 CYS H H 1 8.701 0.001 . 1 . . . . 5 CYS H . 17528 1 26 . 1 1 5 5 CYS HA H 1 4.237 0.002 . 1 . . . . 5 CYS HA . 17528 1 27 . 1 1 5 5 CYS HB2 H 1 3.166 0.002 . 2 . . . . 5 CYS HB2 . 17528 1 28 . 1 1 5 5 CYS HB3 H 1 2.829 0.003 . 2 . . . . 5 CYS HB3 . 17528 1 29 . 1 1 6 6 ILE H H 1 7.996 0.002 . 1 . . . . 6 ILE H . 17528 1 30 . 1 1 6 6 ILE HA H 1 3.856 0.004 . 1 . . . . 6 ILE HA . 17528 1 31 . 1 1 6 6 ILE HB H 1 1.798 0.002 . 1 . . . . 6 ILE HB . 17528 1 32 . 1 1 6 6 ILE HG12 H 1 1.42 0.003 . 2 . . . . 6 ILE HG12 . 17528 1 33 . 1 1 6 6 ILE HG13 H 1 1.193 0.004 . 2 . . . . 6 ILE HG13 . 17528 1 34 . 1 1 6 6 ILE HG21 H 1 0.837 0.003 . 1 . . . . 6 ILE HG2 . 17528 1 35 . 1 1 6 6 ILE HG22 H 1 0.837 0.003 . 1 . . . . 6 ILE HG2 . 17528 1 36 . 1 1 6 6 ILE HG23 H 1 0.837 0.003 . 1 . . . . 6 ILE HG2 . 17528 1 37 . 1 1 6 6 ILE HD11 H 1 0.791 0 . 1 . . . . 6 ILE HD1 . 17528 1 38 . 1 1 6 6 ILE HD12 H 1 0.791 0 . 1 . . . . 6 ILE HD1 . 17528 1 39 . 1 1 6 6 ILE HD13 H 1 0.791 0 . 1 . . . . 6 ILE HD1 . 17528 1 40 . 1 1 7 7 SER H H 1 7.551 0.003 . 1 . . . . 7 SER H . 17528 1 41 . 1 1 7 7 SER HA H 1 4.329 0.003 . 1 . . . . 7 SER HA . 17528 1 42 . 1 1 7 7 SER HB2 H 1 3.665 0.001 . 1 . . . . 7 SER HB2 . 17528 1 43 . 1 1 7 7 SER HB3 H 1 3.665 0.001 . 1 . . . . 7 SER HB3 . 17528 1 44 . 1 1 8 8 ASN H H 1 8.053 0.003 . 1 . . . . 8 ASN H . 17528 1 45 . 1 1 8 8 ASN HA H 1 4.645 0.002 . 1 . . . . 8 ASN HA . 17528 1 46 . 1 1 8 8 ASN HB2 H 1 2.891 0.004 . 2 . . . . 8 ASN HB2 . 17528 1 47 . 1 1 8 8 ASN HB3 H 1 2.711 0.005 . 2 . . . . 8 ASN HB3 . 17528 1 48 . 1 1 8 8 ASN HD21 H 1 6.555 0 . 2 . . . . 8 ASN HD21 . 17528 1 49 . 1 1 8 8 ASN HD22 H 1 7.319 0.001 . 2 . . . . 8 ASN HD22 . 17528 1 50 . 1 1 9 9 PRO HA H 1 4.345 0.002 . 1 . . . . 9 PRO HA . 17528 1 51 . 1 1 9 9 PRO HB2 H 1 1.747 0.005 . 2 . . . . 9 PRO HB2 . 17528 1 52 . 1 1 9 9 PRO HB3 H 1 1.623 0.003 . 2 . . . . 9 PRO HB3 . 17528 1 53 . 1 1 9 9 PRO HG2 H 1 1.464 0.005 . 2 . . . . 9 PRO HG2 . 17528 1 54 . 1 1 9 9 PRO HG3 H 1 1.191 0.003 . 2 . . . . 9 PRO HG3 . 17528 1 55 . 1 1 9 9 PRO HD2 H 1 3.668 0.003 . 2 . . . . 9 PRO HD2 . 17528 1 56 . 1 1 9 9 PRO HD3 H 1 3.58 0.002 . 2 . . . . 9 PRO HD3 . 17528 1 57 . 1 1 10 10 CYS H H 1 8.096 0.004 . 1 . . . . 10 CYS H . 17528 1 58 . 1 1 10 10 CYS HA H 1 4.518 0.001 . 1 . . . . 10 CYS HA . 17528 1 59 . 1 1 10 10 CYS HB2 H 1 2.782 0.003 . 2 . . . . 10 CYS HB2 . 17528 1 60 . 1 1 10 10 CYS HB3 H 1 2.562 0.005 . 2 . . . . 10 CYS HB3 . 17528 1 61 . 1 1 11 11 GLN H H 1 8.87 0.004 . 1 . . . . 11 GLN H . 17528 1 62 . 1 1 11 11 GLN HA H 1 4.296 0.003 . 1 . . . . 11 GLN HA . 17528 1 63 . 1 1 11 11 GLN HB2 H 1 2.053 0.002 . 2 . . . . 11 GLN HB2 . 17528 1 64 . 1 1 11 11 GLN HB3 H 1 1.612 0.004 . 2 . . . . 11 GLN HB3 . 17528 1 65 . 1 1 11 11 GLN HG2 H 1 2.288 0.002 . 1 . . . . 11 GLN HG2 . 17528 1 66 . 1 1 11 11 GLN HG3 H 1 2.288 0.002 . 1 . . . . 11 GLN HG3 . 17528 1 67 . 1 1 11 11 GLN HE21 H 1 6.708 0.001 . 2 . . . . 11 GLN HE21 . 17528 1 68 . 1 1 11 11 GLN HE22 H 1 7.031 0.002 . 2 . . . . 11 GLN HE22 . 17528 1 69 . 1 1 12 12 ASN H H 1 8.808 0.005 . 1 . . . . 12 ASN H . 17528 1 70 . 1 1 12 12 ASN HA H 1 3.93 0.003 . 1 . . . . 12 ASN HA . 17528 1 71 . 1 1 12 12 ASN HB2 H 1 2.003 0.005 . 2 . . . . 12 ASN HB2 . 17528 1 72 . 1 1 12 12 ASN HB3 H 1 1.288 0.005 . 2 . . . . 12 ASN HB3 . 17528 1 73 . 1 1 12 12 ASN HD21 H 1 7.218 0.002 . 2 . . . . 12 ASN HD21 . 17528 1 74 . 1 1 12 12 ASN HD22 H 1 8.29 0.002 . 2 . . . . 12 ASN HD22 . 17528 1 75 . 1 1 13 13 ASP H H 1 8.561 0.005 . 1 . . . . 13 ASP H . 17528 1 76 . 1 1 13 13 ASP HA H 1 4.052 0.002 . 1 . . . . 13 ASP HA . 17528 1 77 . 1 1 13 13 ASP HB2 H 1 2.9 0.003 . 2 . . . . 13 ASP HB2 . 17528 1 78 . 1 1 13 13 ASP HB3 H 1 2.699 0.003 . 2 . . . . 13 ASP HB3 . 17528 1 79 . 1 1 14 14 ALA H H 1 6.926 0.003 . 1 . . . . 14 ALA H . 17528 1 80 . 1 1 14 14 ALA HA H 1 4.176 0.004 . 1 . . . . 14 ALA HA . 17528 1 81 . 1 1 14 14 ALA HB1 H 1 1.329 0.002 . 1 . . . . 14 ALA HB . 17528 1 82 . 1 1 14 14 ALA HB2 H 1 1.329 0.002 . 1 . . . . 14 ALA HB . 17528 1 83 . 1 1 14 14 ALA HB3 H 1 1.329 0.002 . 1 . . . . 14 ALA HB . 17528 1 84 . 1 1 15 15 THR H H 1 7.856 0.001 . 1 . . . . 15 THR H . 17528 1 85 . 1 1 15 15 THR HA H 1 4.176 0.003 . 1 . . . . 15 THR HA . 17528 1 86 . 1 1 15 15 THR HB H 1 3.93 0.002 . 1 . . . . 15 THR HB . 17528 1 87 . 1 1 15 15 THR HG21 H 1 1.101 0.001 . 1 . . . . 15 THR HG2 . 17528 1 88 . 1 1 15 15 THR HG22 H 1 1.101 0.001 . 1 . . . . 15 THR HG2 . 17528 1 89 . 1 1 15 15 THR HG23 H 1 1.101 0.001 . 1 . . . . 15 THR HG2 . 17528 1 90 . 1 1 16 16 CYS H H 1 8.83 0.003 . 1 . . . . 16 CYS H . 17528 1 91 . 1 1 16 16 CYS HA H 1 5.232 0.002 . 1 . . . . 16 CYS HA . 17528 1 92 . 1 1 16 16 CYS HB2 H 1 3.037 0.003 . 2 . . . . 16 CYS HB2 . 17528 1 93 . 1 1 16 16 CYS HB3 H 1 2.839 0.003 . 2 . . . . 16 CYS HB3 . 17528 1 94 . 1 1 17 17 LEU H H 1 9.298 0.003 . 1 . . . . 17 LEU H . 17528 1 95 . 1 1 17 17 LEU HA H 1 4.735 0 . 1 . . . . 17 LEU HA . 17528 1 96 . 1 1 17 17 LEU HB2 H 1 1.52 0.005 . 1 . . . . 17 LEU HB2 . 17528 1 97 . 1 1 17 17 LEU HB3 H 1 1.52 0.005 . 1 . . . . 17 LEU HB3 . 17528 1 98 . 1 1 17 17 LEU HG H 1 1.443 0.004 . 1 . . . . 17 LEU HG . 17528 1 99 . 1 1 17 17 LEU HD11 H 1 0.813 0 . 2 . . . . 17 LEU HD1 . 17528 1 100 . 1 1 17 17 LEU HD12 H 1 0.813 0 . 2 . . . . 17 LEU HD1 . 17528 1 101 . 1 1 17 17 LEU HD13 H 1 0.813 0 . 2 . . . . 17 LEU HD1 . 17528 1 102 . 1 1 17 17 LEU HD21 H 1 0.77 0 . 2 . . . . 17 LEU HD2 . 17528 1 103 . 1 1 17 17 LEU HD22 H 1 0.77 0 . 2 . . . . 17 LEU HD2 . 17528 1 104 . 1 1 17 17 LEU HD23 H 1 0.77 0 . 2 . . . . 17 LEU HD2 . 17528 1 105 . 1 1 18 18 ASP H H 1 8.51 0.006 . 1 . . . . 18 ASP H . 17528 1 106 . 1 1 18 18 ASP HA H 1 4.764 0.004 . 1 . . . . 18 ASP HA . 17528 1 107 . 1 1 18 18 ASP HB2 H 1 2.659 0.006 . 2 . . . . 18 ASP HB2 . 17528 1 108 . 1 1 18 18 ASP HB3 H 1 2.504 0.003 . 2 . . . . 18 ASP HB3 . 17528 1 109 . 1 1 19 19 GLN H H 1 8.286 0.002 . 1 . . . . 19 GLN H . 17528 1 110 . 1 1 19 19 GLN HA H 1 4.508 0.002 . 1 . . . . 19 GLN HA . 17528 1 111 . 1 1 19 19 GLN HB2 H 1 1.765 0.001 . 1 . . . . 19 GLN HB2 . 17528 1 112 . 1 1 19 19 GLN HB3 H 1 1.765 0.001 . 1 . . . . 19 GLN HB3 . 17528 1 113 . 1 1 19 19 GLN HG2 H 1 2.177 0.003 . 2 . . . . 19 GLN HG2 . 17528 1 114 . 1 1 19 19 GLN HG3 H 1 2.04 0.001 . 2 . . . . 19 GLN HG3 . 17528 1 115 . 1 1 19 19 GLN HE21 H 1 6.68 0 . 2 . . . . 19 GLN HE21 . 17528 1 116 . 1 1 19 19 GLN HE22 H 1 7.23 0 . 2 . . . . 19 GLN HE22 . 17528 1 117 . 1 1 20 20 ILE H H 1 8.468 0.002 . 1 . . . . 20 ILE H . 17528 1 118 . 1 1 20 20 ILE HA H 1 3.818 0.003 . 1 . . . . 20 ILE HA . 17528 1 119 . 1 1 20 20 ILE HB H 1 2.057 0.005 . 1 . . . . 20 ILE HB . 17528 1 120 . 1 1 20 20 ILE HG12 H 1 1.393 0.001 . 2 . . . . 20 ILE HG12 . 17528 1 121 . 1 1 20 20 ILE HG13 H 1 1.026 0.002 . 2 . . . . 20 ILE HG13 . 17528 1 122 . 1 1 20 20 ILE HG21 H 1 0.823 0.001 . 1 . . . . 20 ILE HG2 . 17528 1 123 . 1 1 20 20 ILE HG22 H 1 0.823 0.001 . 1 . . . . 20 ILE HG2 . 17528 1 124 . 1 1 20 20 ILE HG23 H 1 0.823 0.001 . 1 . . . . 20 ILE HG2 . 17528 1 125 . 1 1 20 20 ILE HD11 H 1 0.757 0.003 . 1 . . . . 20 ILE HD1 . 17528 1 126 . 1 1 20 20 ILE HD12 H 1 0.757 0.003 . 1 . . . . 20 ILE HD1 . 17528 1 127 . 1 1 20 20 ILE HD13 H 1 0.757 0.003 . 1 . . . . 20 ILE HD1 . 17528 1 128 . 1 1 21 21 GLY H H 1 8.549 0.003 . 1 . . . . 21 GLY H . 17528 1 129 . 1 1 21 21 GLY HA2 H 1 4.076 0.003 . 2 . . . . 21 GLY HA2 . 17528 1 130 . 1 1 21 21 GLY HA3 H 1 3.671 0.002 . 2 . . . . 21 GLY HA3 . 17528 1 131 . 1 1 22 22 GLU H H 1 7.544 0.002 . 1 . . . . 22 GLU H . 17528 1 132 . 1 1 22 22 GLU HA H 1 4.52 0.001 . 1 . . . . 22 GLU HA . 17528 1 133 . 1 1 22 22 GLU HB2 H 1 2.106 0.002 . 2 . . . . 22 GLU HB2 . 17528 1 134 . 1 1 22 22 GLU HB3 H 1 1.968 0 . 2 . . . . 22 GLU HB3 . 17528 1 135 . 1 1 22 22 GLU HG2 H 1 1.773 0.006 . 1 . . . . 22 GLU HG2 . 17528 1 136 . 1 1 22 22 GLU HG3 H 1 1.773 0.006 . 1 . . . . 22 GLU HG3 . 17528 1 137 . 1 1 23 23 PHE H H 1 7.883 0.003 . 1 . . . . 23 PHE H . 17528 1 138 . 1 1 23 23 PHE HA H 1 5.213 0.003 . 1 . . . . 23 PHE HA . 17528 1 139 . 1 1 23 23 PHE HB2 H 1 3.026 0.003 . 2 . . . . 23 PHE HB2 . 17528 1 140 . 1 1 23 23 PHE HB3 H 1 2.905 0.004 . 2 . . . . 23 PHE HB3 . 17528 1 141 . 1 1 23 23 PHE HD1 H 1 7.177 0.002 . 1 . . . . 23 PHE HD1 . 17528 1 142 . 1 1 23 23 PHE HD2 H 1 7.177 0.002 . 1 . . . . 23 PHE HD2 . 17528 1 143 . 1 1 23 23 PHE HE1 H 1 7.031 0.001 . 1 . . . . 23 PHE HE1 . 17528 1 144 . 1 1 23 23 PHE HE2 H 1 7.031 0.001 . 1 . . . . 23 PHE HE2 . 17528 1 145 . 1 1 23 23 PHE HZ H 1 7.11 0.002 . 1 . . . . 23 PHE HZ . 17528 1 146 . 1 1 24 24 GLN H H 1 8.707 0.004 . 1 . . . . 24 GLN H . 17528 1 147 . 1 1 24 24 GLN HA H 1 4.314 0.003 . 1 . . . . 24 GLN HA . 17528 1 148 . 1 1 24 24 GLN HB2 H 1 1.908 0.002 . 2 . . . . 24 GLN HB2 . 17528 1 149 . 1 1 24 24 GLN HB3 H 1 1.811 0.005 . 2 . . . . 24 GLN HB3 . 17528 1 150 . 1 1 24 24 GLN HG2 H 1 2.119 0.005 . 1 . . . . 24 GLN HG2 . 17528 1 151 . 1 1 24 24 GLN HG3 H 1 2.119 0.005 . 1 . . . . 24 GLN HG3 . 17528 1 152 . 1 1 24 24 GLN HE21 H 1 6.571 0.001 . 2 . . . . 24 GLN HE21 . 17528 1 153 . 1 1 24 24 GLN HE22 H 1 7.282 0.002 . 2 . . . . 24 GLN HE22 . 17528 1 154 . 1 1 25 25 CYS H H 1 8.982 0.003 . 1 . . . . 25 CYS H . 17528 1 155 . 1 1 25 25 CYS HA H 1 5.362 0.002 . 1 . . . . 25 CYS HA . 17528 1 156 . 1 1 25 25 CYS HB2 H 1 3.007 0.001 . 2 . . . . 25 CYS HB2 . 17528 1 157 . 1 1 25 25 CYS HB3 H 1 2.594 0.004 . 2 . . . . 25 CYS HB3 . 17528 1 158 . 1 1 26 26 ILE H H 1 9.452 0.002 . 1 . . . . 26 ILE H . 17528 1 159 . 1 1 26 26 ILE HA H 1 4.211 0.003 . 1 . . . . 26 ILE HA . 17528 1 160 . 1 1 26 26 ILE HB H 1 1.955 0.004 . 1 . . . . 26 ILE HB . 17528 1 161 . 1 1 26 26 ILE HG12 H 1 1.31 0.006 . 2 . . . . 26 ILE HG12 . 17528 1 162 . 1 1 26 26 ILE HG13 H 1 1.198 0.003 . 2 . . . . 26 ILE HG13 . 17528 1 163 . 1 1 26 26 ILE HG21 H 1 0.812 0.003 . 1 . . . . 26 ILE HG2 . 17528 1 164 . 1 1 26 26 ILE HG22 H 1 0.812 0.003 . 1 . . . . 26 ILE HG2 . 17528 1 165 . 1 1 26 26 ILE HG23 H 1 0.812 0.003 . 1 . . . . 26 ILE HG2 . 17528 1 166 . 1 1 26 26 ILE HD11 H 1 0.654 0.006 . 1 . . . . 26 ILE HD1 . 17528 1 167 . 1 1 26 26 ILE HD12 H 1 0.654 0.006 . 1 . . . . 26 ILE HD1 . 17528 1 168 . 1 1 26 26 ILE HD13 H 1 0.654 0.006 . 1 . . . . 26 ILE HD1 . 17528 1 169 . 1 1 27 27 CYS H H 1 8.497 0.001 . 1 . . . . 27 CYS H . 17528 1 170 . 1 1 27 27 CYS HA H 1 4.607 0.001 . 1 . . . . 27 CYS HA . 17528 1 171 . 1 1 27 27 CYS HB2 H 1 3.315 0.003 . 2 . . . . 27 CYS HB2 . 17528 1 172 . 1 1 27 27 CYS HB3 H 1 2.549 0.003 . 2 . . . . 27 CYS HB3 . 17528 1 173 . 1 1 28 28 MET H H 1 8.543 0.003 . 1 . . . . 28 MET H . 17528 1 174 . 1 1 28 28 MET HA H 1 4.761 0.001 . 1 . . . . 28 MET HA . 17528 1 175 . 1 1 28 28 MET HB2 H 1 1.917 0.004 . 2 . . . . 28 MET HB2 . 17528 1 176 . 1 1 28 28 MET HB3 H 1 2.235 0.003 . 2 . . . . 28 MET HB3 . 17528 1 177 . 1 1 28 28 MET HG2 H 1 2.697 0.003 . 2 . . . . 28 MET HG2 . 17528 1 178 . 1 1 28 28 MET HG3 H 1 2.392 0.005 . 2 . . . . 28 MET HG3 . 17528 1 179 . 1 1 28 28 MET HE1 H 1 2.107 0.002 . 1 . . . . 28 MET HE . 17528 1 180 . 1 1 28 28 MET HE2 H 1 2.107 0.002 . 1 . . . . 28 MET HE . 17528 1 181 . 1 1 28 28 MET HE3 H 1 2.107 0.002 . 1 . . . . 28 MET HE . 17528 1 182 . 1 1 29 29 PRO HA H 1 4.25 0.003 . 1 . . . . 29 PRO HA . 17528 1 183 . 1 1 29 29 PRO HB2 H 1 2.238 0.003 . 2 . . . . 29 PRO HB2 . 17528 1 184 . 1 1 29 29 PRO HB3 H 1 2.106 0.001 . 2 . . . . 29 PRO HB3 . 17528 1 185 . 1 1 29 29 PRO HG2 H 1 1.984 0.006 . 2 . . . . 29 PRO HG2 . 17528 1 186 . 1 1 29 29 PRO HG3 H 1 1.781 0.005 . 2 . . . . 29 PRO HG3 . 17528 1 187 . 1 1 29 29 PRO HD2 H 1 3.9 0.002 . 2 . . . . 29 PRO HD2 . 17528 1 188 . 1 1 29 29 PRO HD3 H 1 3.622 0.003 . 2 . . . . 29 PRO HD3 . 17528 1 189 . 1 1 30 30 GLY H H 1 8.524 0.005 . 1 . . . . 30 GLY H . 17528 1 190 . 1 1 30 30 GLY HA2 H 1 3.97 0.001 . 2 . . . . 30 GLY HA2 . 17528 1 191 . 1 1 30 30 GLY HA3 H 1 3.366 0.004 . 2 . . . . 30 GLY HA3 . 17528 1 192 . 1 1 31 31 TYR H H 1 7.599 0.003 . 1 . . . . 31 TYR H . 17528 1 193 . 1 1 31 31 TYR HA H 1 5.118 0.003 . 1 . . . . 31 TYR HA . 17528 1 194 . 1 1 31 31 TYR HB2 H 1 2.91 0.001 . 2 . . . . 31 TYR HB2 . 17528 1 195 . 1 1 31 31 TYR HB3 H 1 2.756 0.003 . 2 . . . . 31 TYR HB3 . 17528 1 196 . 1 1 31 31 TYR HD1 H 1 6.863 0.004 . 1 . . . . 31 TYR HD1 . 17528 1 197 . 1 1 31 31 TYR HD2 H 1 6.863 0.004 . 1 . . . . 31 TYR HD2 . 17528 1 198 . 1 1 31 31 TYR HE1 H 1 6.632 0.002 . 1 . . . . 31 TYR HE1 . 17528 1 199 . 1 1 31 31 TYR HE2 H 1 6.632 0.002 . 1 . . . . 31 TYR HE2 . 17528 1 200 . 1 1 32 32 GLU H H 1 9.041 0.003 . 1 . . . . 32 GLU H . 17528 1 201 . 1 1 32 32 GLU HA H 1 4.826 0.002 . 1 . . . . 32 GLU HA . 17528 1 202 . 1 1 32 32 GLU HB2 H 1 2.093 0.004 . 2 . . . . 32 GLU HB2 . 17528 1 203 . 1 1 32 32 GLU HB3 H 1 2.039 0.006 . 2 . . . . 32 GLU HB3 . 17528 1 204 . 1 1 32 32 GLU HG2 H 1 1.889 0.003 . 1 . . . . 32 GLU HG2 . 17528 1 205 . 1 1 32 32 GLU HG3 H 1 1.889 0.003 . 1 . . . . 32 GLU HG3 . 17528 1 206 . 1 1 33 33 GLY H H 1 8.133 0.002 . 1 . . . . 33 GLY H . 17528 1 207 . 1 1 33 33 GLY HA2 H 1 4.856 0.006 . 2 . . . . 33 GLY HA2 . 17528 1 208 . 1 1 33 33 GLY HA3 H 1 3.766 0.002 . 2 . . . . 33 GLY HA3 . 17528 1 209 . 1 1 34 34 VAL H H 1 9.402 0.003 . 1 . . . . 34 VAL H . 17528 1 210 . 1 1 34 34 VAL HA H 1 3.453 0.002 . 1 . . . . 34 VAL HA . 17528 1 211 . 1 1 34 34 VAL HB H 1 1.571 0.005 . 1 . . . . 34 VAL HB . 17528 1 212 . 1 1 34 34 VAL HG11 H 1 0.276 0.003 . 2 . . . . 34 VAL HG1 . 17528 1 213 . 1 1 34 34 VAL HG12 H 1 0.276 0.003 . 2 . . . . 34 VAL HG1 . 17528 1 214 . 1 1 34 34 VAL HG13 H 1 0.276 0.003 . 2 . . . . 34 VAL HG1 . 17528 1 215 . 1 1 34 34 VAL HG21 H 1 0.819 0.003 . 2 . . . . 34 VAL HG2 . 17528 1 216 . 1 1 34 34 VAL HG22 H 1 0.819 0.003 . 2 . . . . 34 VAL HG2 . 17528 1 217 . 1 1 34 34 VAL HG23 H 1 0.819 0.003 . 2 . . . . 34 VAL HG2 . 17528 1 218 . 1 1 35 35 TYR H H 1 8.498 0.003 . 1 . . . . 35 TYR H . 17528 1 219 . 1 1 35 35 TYR HA H 1 5.221 0.001 . 1 . . . . 35 TYR HA . 17528 1 220 . 1 1 35 35 TYR HB2 H 1 3.614 0.003 . 2 . . . . 35 TYR HB2 . 17528 1 221 . 1 1 35 35 TYR HB3 H 1 2.673 0.004 . 2 . . . . 35 TYR HB3 . 17528 1 222 . 1 1 35 35 TYR HD1 H 1 6.919 0.001 . 1 . . . . 35 TYR HD1 . 17528 1 223 . 1 1 35 35 TYR HD2 H 1 6.919 0.001 . 1 . . . . 35 TYR HD2 . 17528 1 224 . 1 1 35 35 TYR HE1 H 1 6.689 0.002 . 1 . . . . 35 TYR HE1 . 17528 1 225 . 1 1 35 35 TYR HE2 H 1 6.689 0.002 . 1 . . . . 35 TYR HE2 . 17528 1 226 . 1 1 36 36 CYS H H 1 7.873 0.004 . 1 . . . . 36 CYS H . 17528 1 227 . 1 1 36 36 CYS HA H 1 3.882 0.004 . 1 . . . . 36 CYS HA . 17528 1 228 . 1 1 36 36 CYS HB2 H 1 3.195 0.004 . 2 . . . . 36 CYS HB2 . 17528 1 229 . 1 1 36 36 CYS HB3 H 1 2.858 0.004 . 2 . . . . 36 CYS HB3 . 17528 1 230 . 1 1 37 37 GLU HA H 1 3.969 0.004 . 1 . . . . 37 GLU HA . 17528 1 231 . 1 1 37 37 GLU HB2 H 1 2.11 0.002 . 2 . . . . 37 GLU HB2 . 17528 1 232 . 1 1 37 37 GLU HB3 H 1 1.808 0.004 . 2 . . . . 37 GLU HB3 . 17528 1 233 . 1 1 37 37 GLU HG2 H 1 2.529 0.001 . 2 . . . . 37 GLU HG2 . 17528 1 234 . 1 1 37 37 GLU HG3 H 1 2.212 0.003 . 2 . . . . 37 GLU HG3 . 17528 1 235 . 1 1 38 38 ILE H H 1 8.827 0.003 . 1 . . . . 38 ILE H . 17528 1 236 . 1 1 38 38 ILE HA H 1 4.161 0.002 . 1 . . . . 38 ILE HA . 17528 1 237 . 1 1 38 38 ILE HB H 1 1.615 0.004 . 1 . . . . 38 ILE HB . 17528 1 238 . 1 1 38 38 ILE HG12 H 1 1.456 0.004 . 1 . . . . 38 ILE HG12 . 17528 1 239 . 1 1 38 38 ILE HG13 H 1 1.456 0.004 . 1 . . . . 38 ILE HG13 . 17528 1 240 . 1 1 38 38 ILE HG21 H 1 0.98 0.003 . 1 . . . . 38 ILE HG2 . 17528 1 241 . 1 1 38 38 ILE HG22 H 1 0.98 0.003 . 1 . . . . 38 ILE HG2 . 17528 1 242 . 1 1 38 38 ILE HG23 H 1 0.98 0.003 . 1 . . . . 38 ILE HG2 . 17528 1 243 . 1 1 38 38 ILE HD11 H 1 0.814 0.005 . 1 . . . . 38 ILE HD1 . 17528 1 244 . 1 1 38 38 ILE HD12 H 1 0.814 0.005 . 1 . . . . 38 ILE HD1 . 17528 1 245 . 1 1 38 38 ILE HD13 H 1 0.814 0.005 . 1 . . . . 38 ILE HD1 . 17528 1 stop_ save_