################################### # 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 17997 _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' . . . 17997 1 2 '2D DQF-COSY' . . . 17997 1 3 '2D 1H-1H NOESY' . . . 17997 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 3.970 0.000 . 1 . . . A 1 ALA HA . 17997 1 2 . 1 1 1 1 ALA HB1 H 1 1.502 0.005 . 1 . . . A 1 ALA HB1 . 17997 1 3 . 1 1 1 1 ALA HB2 H 1 1.502 0.005 . 1 . . . A 1 ALA HB2 . 17997 1 4 . 1 1 1 1 ALA HB3 H 1 1.502 0.005 . 1 . . . A 1 ALA HB3 . 17997 1 5 . 1 1 2 2 ASN H H 1 8.353 0.001 . 1 . . . A 2 ASN H . 17997 1 6 . 1 1 2 2 ASN HA H 1 4.730 0.000 . 1 . . . A 2 ASN HA . 17997 1 7 . 1 1 2 2 ASN HB2 H 1 2.621 0.004 . 2 . . . A 2 ASN HB2 . 17997 1 8 . 1 1 2 2 ASN HB3 H 1 2.621 0.004 . 2 . . . A 2 ASN HB3 . 17997 1 9 . 1 1 2 2 ASN HD21 H 1 6.762 0.000 . 2 . . . A 2 ASN HD21 . 17997 1 10 . 1 1 2 2 ASN HD22 H 1 7.664 0.002 . 2 . . . A 2 ASN HD22 . 17997 1 11 . 1 1 3 3 GLU H H 1 9.010 0.005 . 1 . . . A 3 GLU H . 17997 1 12 . 1 1 3 3 GLU HA H 1 3.325 0.001 . 1 . . . A 3 GLU HA . 17997 1 13 . 1 1 3 3 GLU HB2 H 1 1.817 0.008 . 2 . . . A 3 GLU HB2 . 17997 1 14 . 1 1 3 3 GLU HB3 H 1 1.817 0.008 . 2 . . . A 3 GLU HB3 . 17997 1 15 . 1 1 3 3 GLU HG2 H 1 1.912 0.002 . 2 . . . A 3 GLU HG2 . 17997 1 16 . 1 1 3 3 GLU HG3 H 1 2.186 0.006 . 2 . . . A 3 GLU HG3 . 17997 1 17 . 1 1 4 4 GLY H H 1 8.927 0.004 . 1 . . . A 4 GLY H . 17997 1 18 . 1 1 4 4 GLY HA2 H 1 4.301 0.007 . 2 . . . A 4 GLY HA2 . 17997 1 19 . 1 1 4 4 GLY HA3 H 1 3.342 0.008 . 2 . . . A 4 GLY HA3 . 17997 1 20 . 1 1 5 5 ASP H H 1 7.941 0.004 . 1 . . . A 5 ASP H . 17997 1 21 . 1 1 5 5 ASP HA H 1 4.359 0.008 . 1 . . . A 5 ASP HA . 17997 1 22 . 1 1 5 5 ASP HB2 H 1 2.916 0.004 . 2 . . . A 5 ASP HB2 . 17997 1 23 . 1 1 5 5 ASP HB3 H 1 2.454 0.006 . 2 . . . A 5 ASP HB3 . 17997 1 24 . 1 1 6 6 VAL H H 1 8.685 0.010 . 1 . . . A 6 VAL H . 17997 1 25 . 1 1 6 6 VAL HA H 1 4.815 0.009 . 1 . . . A 6 VAL HA . 17997 1 26 . 1 1 6 6 VAL HB H 1 1.587 0.005 . 1 . . . A 6 VAL HB . 17997 1 27 . 1 1 6 6 VAL HG11 H 1 0.587 0.010 . 2 . . . A 6 VAL HG11 . 17997 1 28 . 1 1 6 6 VAL HG12 H 1 0.587 0.010 . 2 . . . A 6 VAL HG12 . 17997 1 29 . 1 1 6 6 VAL HG13 H 1 0.587 0.010 . 2 . . . A 6 VAL HG13 . 17997 1 30 . 1 1 6 6 VAL HG21 H 1 0.750 0.004 . 2 . . . A 6 VAL HG21 . 17997 1 31 . 1 1 6 6 VAL HG22 H 1 0.750 0.004 . 2 . . . A 6 VAL HG22 . 17997 1 32 . 1 1 6 6 VAL HG23 H 1 0.750 0.004 . 2 . . . A 6 VAL HG23 . 17997 1 33 . 1 1 7 7 TYR H H 1 8.984 0.003 . 1 . . . A 7 TYR H . 17997 1 34 . 1 1 7 7 TYR HA H 1 4.790 0.001 . 1 . . . A 7 TYR HA . 17997 1 35 . 1 1 7 7 TYR HB2 H 1 2.246 0.001 . 2 . . . A 7 TYR HB2 . 17997 1 36 . 1 1 7 7 TYR HB3 H 1 2.609 0.001 . 2 . . . A 7 TYR HB3 . 17997 1 37 . 1 1 7 7 TYR HD1 H 1 6.444 0.000 . 3 . . . A 7 TYR HD1 . 17997 1 38 . 1 1 7 7 TYR HD2 H 1 6.445 0.003 . 3 . . . A 7 TYR HD2 . 17997 1 39 . 1 1 7 7 TYR HE1 H 1 6.629 0.002 . 3 . . . A 7 TYR HE1 . 17997 1 40 . 1 1 7 7 TYR HE2 H 1 6.634 0.001 . 3 . . . A 7 TYR HE2 . 17997 1 41 . 1 1 8 8 LYS H H 1 8.818 0.002 . 1 . . . A 8 LYS H . 17997 1 42 . 1 1 8 8 LYS HA H 1 5.254 0.002 . 1 . . . A 8 LYS HA . 17997 1 43 . 1 1 8 8 LYS HB2 H 1 1.643 0.003 . 2 . . . A 8 LYS HB2 . 17997 1 44 . 1 1 8 8 LYS HB3 H 1 1.643 0.003 . 2 . . . A 8 LYS HB3 . 17997 1 45 . 1 1 8 8 LYS HG2 H 1 0.924 0.008 . 2 . . . A 8 LYS HG2 . 17997 1 46 . 1 1 8 8 LYS HG3 H 1 0.924 0.008 . 2 . . . A 8 LYS HG3 . 17997 1 47 . 1 1 8 8 LYS HD2 H 1 1.200 0.008 . 2 . . . A 8 LYS HD2 . 17997 1 48 . 1 1 8 8 LYS HD3 H 1 1.200 0.000 . 2 . . . A 8 LYS HD3 . 17997 1 49 . 1 1 8 8 LYS HE2 H 1 2.592 0.012 . 2 . . . A 8 LYS HE2 . 17997 1 50 . 1 1 8 8 LYS HE3 H 1 2.592 0.012 . 2 . . . A 8 LYS HE3 . 17997 1 51 . 1 1 9 9 CYS H H 1 9.146 0.002 . 1 . . . A 9 CYS H . 17997 1 52 . 1 1 9 9 CYS HA H 1 4.655 0.000 . 1 . . . A 9 CYS HA . 17997 1 53 . 1 1 9 9 CYS HB2 H 1 2.390 0.004 . 2 . . . A 9 CYS HB2 . 17997 1 54 . 1 1 9 9 CYS HB3 H 1 3.140 0.005 . 2 . . . A 9 CYS HB3 . 17997 1 55 . 1 1 10 10 GLU H H 1 9.366 0.007 . 1 . . . A 10 GLU H . 17997 1 56 . 1 1 10 10 GLU HA H 1 3.985 0.000 . 1 . . . A 10 GLU HA . 17997 1 57 . 1 1 10 10 GLU HB2 H 1 1.730 0.005 . 2 . . . A 10 GLU HB2 . 17997 1 58 . 1 1 10 10 GLU HB3 H 1 1.730 0.005 . 2 . . . A 10 GLU HB3 . 17997 1 59 . 1 1 10 10 GLU HG2 H 1 1.971 0.000 . 2 . . . A 10 GLU HG2 . 17997 1 60 . 1 1 10 10 GLU HG3 H 1 2.254 0.002 . 2 . . . A 10 GLU HG3 . 17997 1 61 . 1 1 11 11 LEU H H 1 9.173 0.001 . 1 . . . A 11 LEU H . 17997 1 62 . 1 1 11 11 LEU HA H 1 4.242 0.002 . 1 . . . A 11 LEU HA . 17997 1 63 . 1 1 11 11 LEU HB2 H 1 1.690 0.004 . 2 . . . A 11 LEU HB2 . 17997 1 64 . 1 1 11 11 LEU HB3 H 1 1.690 0.004 . 2 . . . A 11 LEU HB3 . 17997 1 65 . 1 1 11 11 LEU HG H 1 1.430 0.007 . 1 . . . A 11 LEU HG . 17997 1 66 . 1 1 11 11 LEU HD11 H 1 0.756 0.015 . 2 . . . A 11 LEU HD11 . 17997 1 67 . 1 1 11 11 LEU HD12 H 1 0.756 0.015 . 2 . . . A 11 LEU HD12 . 17997 1 68 . 1 1 11 11 LEU HD13 H 1 0.756 0.015 . 2 . . . A 11 LEU HD13 . 17997 1 69 . 1 1 11 11 LEU HD21 H 1 0.756 0.015 . 2 . . . A 11 LEU HD21 . 17997 1 70 . 1 1 11 11 LEU HD22 H 1 0.756 0.015 . 2 . . . A 11 LEU HD22 . 17997 1 71 . 1 1 11 11 LEU HD23 H 1 0.756 0.015 . 2 . . . A 11 LEU HD23 . 17997 1 72 . 1 1 12 12 CYS H H 1 8.892 0.001 . 1 . . . A 12 CYS H . 17997 1 73 . 1 1 12 12 CYS HA H 1 4.872 0.000 . 1 . . . A 12 CYS HA . 17997 1 74 . 1 1 12 12 CYS HB2 H 1 2.634 0.008 . 2 . . . A 12 CYS HB2 . 17997 1 75 . 1 1 12 12 CYS HB3 H 1 3.148 0.007 . 2 . . . A 12 CYS HB3 . 17997 1 76 . 1 1 13 13 GLY H H 1 7.567 0.003 . 1 . . . A 13 GLY H . 17997 1 77 . 1 1 13 13 GLY HA2 H 1 4.080 0.006 . 2 . . . A 13 GLY HA2 . 17997 1 78 . 1 1 13 13 GLY HA3 H 1 3.511 0.000 . 2 . . . A 13 GLY HA3 . 17997 1 79 . 1 1 14 14 GLN H H 1 8.446 0.005 . 1 . . . A 14 GLN H . 17997 1 80 . 1 1 14 14 GLN HA H 1 3.835 0.002 . 1 . . . A 14 GLN HA . 17997 1 81 . 1 1 14 14 GLN HB2 H 1 1.813 0.008 . 2 . . . A 14 GLN HB2 . 17997 1 82 . 1 1 14 14 GLN HB3 H 1 1.922 0.000 . 2 . . . A 14 GLN HB3 . 17997 1 83 . 1 1 14 14 GLN HG2 H 1 2.235 0.003 . 2 . . . A 14 GLN HG2 . 17997 1 84 . 1 1 14 14 GLN HG3 H 1 2.235 0.003 . 2 . . . A 14 GLN HG3 . 17997 1 85 . 1 1 14 14 GLN HE21 H 1 5.908 0.001 . 2 . . . A 14 GLN HE21 . 17997 1 86 . 1 1 14 14 GLN HE22 H 1 6.728 0.009 . 2 . . . A 14 GLN HE22 . 17997 1 87 . 1 1 15 15 VAL H H 1 8.415 0.004 . 1 . . . A 15 VAL H . 17997 1 88 . 1 1 15 15 VAL HA H 1 4.999 0.004 . 1 . . . A 15 VAL HA . 17997 1 89 . 1 1 15 15 VAL HB H 1 1.529 0.016 . 1 . . . A 15 VAL HB . 17997 1 90 . 1 1 15 15 VAL HG11 H 1 0.764 0.012 . 2 . . . A 15 VAL HG11 . 17997 1 91 . 1 1 15 15 VAL HG12 H 1 0.764 0.012 . 2 . . . A 15 VAL HG12 . 17997 1 92 . 1 1 15 15 VAL HG13 H 1 0.764 0.012 . 2 . . . A 15 VAL HG13 . 17997 1 93 . 1 1 15 15 VAL HG21 H 1 0.764 0.012 . 2 . . . A 15 VAL HG21 . 17997 1 94 . 1 1 15 15 VAL HG22 H 1 0.764 0.012 . 2 . . . A 15 VAL HG22 . 17997 1 95 . 1 1 15 15 VAL HG23 H 1 0.764 0.012 . 2 . . . A 15 VAL HG23 . 17997 1 96 . 1 1 16 16 VAL H H 1 9.358 0.003 . 1 . . . A 16 VAL H . 17997 1 97 . 1 1 16 16 VAL HA H 1 5.372 0.003 . 1 . . . A 16 VAL HA . 17997 1 98 . 1 1 16 16 VAL HB H 1 1.798 0.005 . 1 . . . A 16 VAL HB . 17997 1 99 . 1 1 16 16 VAL HG21 H 1 0.567 0.015 . 2 . . . A 16 VAL HG21 . 17997 1 100 . 1 1 16 16 VAL HG22 H 1 0.567 0.015 . 2 . . . A 16 VAL HG22 . 17997 1 101 . 1 1 16 16 VAL HG23 H 1 0.567 0.015 . 2 . . . A 16 VAL HG23 . 17997 1 102 . 1 1 17 17 LYS H H 1 9.044 0.008 . 1 . . . A 17 LYS H . 17997 1 103 . 1 1 17 17 LYS HA H 1 5.320 0.003 . 1 . . . A 17 LYS HA . 17997 1 104 . 1 1 17 17 LYS HB2 H 1 1.499 0.010 . 2 . . . A 17 LYS HB2 . 17997 1 105 . 1 1 17 17 LYS HB3 H 1 1.499 0.010 . 2 . . . A 17 LYS HB3 . 17997 1 106 . 1 1 17 17 LYS HG2 H 1 1.080 0.011 . 2 . . . A 17 LYS HG2 . 17997 1 107 . 1 1 17 17 LYS HG3 H 1 1.080 0.011 . 2 . . . A 17 LYS HG3 . 17997 1 108 . 1 1 17 17 LYS HD2 H 1 0.633 0.017 . 2 . . . A 17 LYS HD2 . 17997 1 109 . 1 1 17 17 LYS HD3 H 1 0.633 0.017 . 2 . . . A 17 LYS HD3 . 17997 1 110 . 1 1 17 17 LYS HE2 H 1 2.779 0.008 . 2 . . . A 17 LYS HE2 . 17997 1 111 . 1 1 17 17 LYS HE3 H 1 2.779 0.008 . 2 . . . A 17 LYS HE3 . 17997 1 112 . 1 1 18 18 VAL H H 1 9.016 0.006 . 1 . . . A 18 VAL H . 17997 1 113 . 1 1 18 18 VAL HA H 1 3.910 0.003 . 1 . . . A 18 VAL HA . 17997 1 114 . 1 1 18 18 VAL HB H 1 2.265 0.008 . 1 . . . A 18 VAL HB . 17997 1 115 . 1 1 18 18 VAL HG11 H 1 0.522 0.005 . 2 . . . A 18 VAL HG11 . 17997 1 116 . 1 1 18 18 VAL HG12 H 1 0.522 0.005 . 2 . . . A 18 VAL HG12 . 17997 1 117 . 1 1 18 18 VAL HG13 H 1 0.522 0.005 . 2 . . . A 18 VAL HG13 . 17997 1 118 . 1 1 18 18 VAL HG21 H 1 0.742 0.001 . 2 . . . A 18 VAL HG21 . 17997 1 119 . 1 1 18 18 VAL HG22 H 1 0.742 0.001 . 2 . . . A 18 VAL HG22 . 17997 1 120 . 1 1 18 18 VAL HG23 H 1 0.742 0.001 . 2 . . . A 18 VAL HG23 . 17997 1 121 . 1 1 19 19 LEU H H 1 9.357 0.006 . 1 . . . A 19 LEU H . 17997 1 122 . 1 1 19 19 LEU HA H 1 4.348 0.001 . 1 . . . A 19 LEU HA . 17997 1 123 . 1 1 19 19 LEU HB2 H 1 1.380 0.010 . 2 . . . A 19 LEU HB2 . 17997 1 124 . 1 1 19 19 LEU HB3 H 1 1.380 0.010 . 2 . . . A 19 LEU HB3 . 17997 1 125 . 1 1 19 19 LEU HG H 1 1.503 0.006 . 1 . . . A 19 LEU HG . 17997 1 126 . 1 1 19 19 LEU HD11 H 1 0.742 0.000 . 2 . . . A 19 LEU HD11 . 17997 1 127 . 1 1 19 19 LEU HD12 H 1 0.742 0.000 . 2 . . . A 19 LEU HD12 . 17997 1 128 . 1 1 19 19 LEU HD13 H 1 0.742 0.000 . 2 . . . A 19 LEU HD13 . 17997 1 129 . 1 1 19 19 LEU HD21 H 1 0.752 0.000 . 2 . . . A 19 LEU HD21 . 17997 1 130 . 1 1 19 19 LEU HD22 H 1 0.752 0.000 . 2 . . . A 19 LEU HD22 . 17997 1 131 . 1 1 19 19 LEU HD23 H 1 0.752 0.000 . 2 . . . A 19 LEU HD23 . 17997 1 132 . 1 1 20 20 GLU H H 1 7.540 0.003 . 1 . . . A 20 GLU H . 17997 1 133 . 1 1 20 20 GLU HA H 1 4.536 0.000 . 1 . . . A 20 GLU HA . 17997 1 134 . 1 1 20 20 GLU HB2 H 1 1.621 0.005 . 2 . . . A 20 GLU HB2 . 17997 1 135 . 1 1 20 20 GLU HB3 H 1 1.621 0.005 . 2 . . . A 20 GLU HB3 . 17997 1 136 . 1 1 20 20 GLU HG2 H 1 2.109 0.003 . 2 . . . A 20 GLU HG2 . 17997 1 137 . 1 1 20 20 GLU HG3 H 1 1.937 0.003 . 2 . . . A 20 GLU HG3 . 17997 1 138 . 1 1 21 21 GLU H H 1 8.710 0.004 . 1 . . . A 21 GLU H . 17997 1 139 . 1 1 21 21 GLU HA H 1 4.056 0.003 . 1 . . . A 21 GLU HA . 17997 1 140 . 1 1 21 21 GLU HB2 H 1 2.221 0.007 . 2 . . . A 21 GLU HB2 . 17997 1 141 . 1 1 21 21 GLU HB3 H 1 2.221 0.007 . 2 . . . A 21 GLU HB3 . 17997 1 142 . 1 1 21 21 GLU HG2 H 1 1.844 0.013 . 2 . . . A 21 GLU HG2 . 17997 1 143 . 1 1 21 21 GLU HG3 H 1 1.844 0.013 . 2 . . . A 21 GLU HG3 . 17997 1 144 . 1 1 22 22 GLY H H 1 7.305 0.003 . 1 . . . A 22 GLY H . 17997 1 145 . 1 1 22 22 GLY HA2 H 1 3.958 0.000 . 2 . . . A 22 GLY HA2 . 17997 1 146 . 1 1 22 22 GLY HA3 H 1 4.095 0.002 . 2 . . . A 22 GLY HA3 . 17997 1 147 . 1 1 23 23 GLY H H 1 7.879 0.001 . 1 . . . A 23 GLY H . 17997 1 148 . 1 1 23 23 GLY HA2 H 1 3.518 0.000 . 2 . . . A 23 GLY HA2 . 17997 1 149 . 1 1 23 23 GLY HA3 H 1 3.930 0.011 . 2 . . . A 23 GLY HA3 . 17997 1 150 . 1 1 24 24 GLY H H 1 8.429 0.005 . 1 . . . A 24 GLY H . 17997 1 151 . 1 1 24 24 GLY HA2 H 1 3.820 0.013 . 2 . . . A 24 GLY HA2 . 17997 1 152 . 1 1 24 24 GLY HA3 H 1 4.409 0.000 . 2 . . . A 24 GLY HA3 . 17997 1 153 . 1 1 25 25 THR H H 1 8.758 0.006 . 1 . . . A 25 THR H . 17997 1 154 . 1 1 25 25 THR HA H 1 4.007 0.004 . 1 . . . A 25 THR HA . 17997 1 155 . 1 1 25 25 THR HB H 1 3.782 0.004 . 1 . . . A 25 THR HB . 17997 1 156 . 1 1 25 25 THR HG21 H 1 0.921 0.003 . 1 . . . A 25 THR HG21 . 17997 1 157 . 1 1 25 25 THR HG22 H 1 0.921 0.003 . 1 . . . A 25 THR HG22 . 17997 1 158 . 1 1 25 25 THR HG23 H 1 0.921 0.003 . 1 . . . A 25 THR HG23 . 17997 1 159 . 1 1 26 26 LEU H H 1 8.014 0.010 . 1 . . . A 26 LEU H . 17997 1 160 . 1 1 26 26 LEU HA H 1 4.217 0.007 . 1 . . . A 26 LEU HA . 17997 1 161 . 1 1 26 26 LEU HB2 H 1 1.140 0.007 . 2 . . . A 26 LEU HB2 . 17997 1 162 . 1 1 26 26 LEU HB3 H 1 1.140 0.007 . 2 . . . A 26 LEU HB3 . 17997 1 163 . 1 1 26 26 LEU HG H 1 0.924 0.004 . 1 . . . A 26 LEU HG . 17997 1 164 . 1 1 26 26 LEU HD11 H 1 -0.043 0.006 . 2 . . . A 26 LEU HD11 . 17997 1 165 . 1 1 26 26 LEU HD12 H 1 -0.043 0.006 . 2 . . . A 26 LEU HD12 . 17997 1 166 . 1 1 26 26 LEU HD13 H 1 -0.043 0.006 . 2 . . . A 26 LEU HD13 . 17997 1 167 . 1 1 26 26 LEU HD21 H 1 0.503 0.005 . 2 . . . A 26 LEU HD21 . 17997 1 168 . 1 1 26 26 LEU HD22 H 1 0.503 0.005 . 2 . . . A 26 LEU HD22 . 17997 1 169 . 1 1 26 26 LEU HD23 H 1 0.503 0.005 . 2 . . . A 26 LEU HD23 . 17997 1 170 . 1 1 27 27 VAL H H 1 9.224 0.004 . 1 . . . A 27 VAL H . 17997 1 171 . 1 1 27 27 VAL HA H 1 4.215 0.011 . 1 . . . A 27 VAL HA . 17997 1 172 . 1 1 27 27 VAL HB H 1 1.387 0.006 . 1 . . . A 27 VAL HB . 17997 1 173 . 1 1 27 27 VAL HG11 H 1 0.421 0.002 . 2 . . . A 27 VAL HG11 . 17997 1 174 . 1 1 27 27 VAL HG12 H 1 0.421 0.002 . 2 . . . A 27 VAL HG12 . 17997 1 175 . 1 1 27 27 VAL HG13 H 1 0.421 0.002 . 2 . . . A 27 VAL HG13 . 17997 1 176 . 1 1 27 27 VAL HG21 H 1 0.650 0.008 . 2 . . . A 27 VAL HG21 . 17997 1 177 . 1 1 27 27 VAL HG22 H 1 0.650 0.008 . 2 . . . A 27 VAL HG22 . 17997 1 178 . 1 1 27 27 VAL HG23 H 1 0.650 0.008 . 2 . . . A 27 VAL HG23 . 17997 1 179 . 1 1 28 28 CYS H H 1 8.314 0.003 . 1 . . . A 28 CYS H . 17997 1 180 . 1 1 28 28 CYS HA H 1 4.436 0.007 . 1 . . . A 28 CYS HA . 17997 1 181 . 1 1 28 28 CYS HB2 H 1 2.417 0.013 . 2 . . . A 28 CYS HB2 . 17997 1 182 . 1 1 28 28 CYS HB3 H 1 2.797 0.003 . 2 . . . A 28 CYS HB3 . 17997 1 183 . 1 1 29 29 CYS H H 1 7.334 0.002 . 1 . . . A 29 CYS H . 17997 1 184 . 1 1 29 29 CYS HA H 1 3.824 0.008 . 1 . . . A 29 CYS HA . 17997 1 185 . 1 1 29 29 CYS HB2 H 1 2.992 0.004 . 2 . . . A 29 CYS HB2 . 17997 1 186 . 1 1 29 29 CYS HB3 H 1 2.894 0.004 . 2 . . . A 29 CYS HB3 . 17997 1 187 . 1 1 30 30 GLY H H 1 8.120 0.004 . 1 . . . A 30 GLY H . 17997 1 188 . 1 1 30 30 GLY HA2 H 1 3.847 0.008 . 2 . . . A 30 GLY HA2 . 17997 1 189 . 1 1 30 30 GLY HA3 H 1 3.223 0.005 . 2 . . . A 30 GLY HA3 . 17997 1 190 . 1 1 31 31 GLU H H 1 7.787 0.002 . 1 . . . A 31 GLU H . 17997 1 191 . 1 1 31 31 GLU HA H 1 4.597 0.000 . 1 . . . A 31 GLU HA . 17997 1 192 . 1 1 31 31 GLU HB2 H 1 2.154 0.003 . 2 . . . A 31 GLU HB2 . 17997 1 193 . 1 1 31 31 GLU HB3 H 1 1.603 0.003 . 2 . . . A 31 GLU HB3 . 17997 1 194 . 1 1 31 31 GLU HG2 H 1 1.910 0.000 . 2 . . . A 31 GLU HG2 . 17997 1 195 . 1 1 31 31 GLU HG3 H 1 2.011 0.005 . 2 . . . A 31 GLU HG3 . 17997 1 196 . 1 1 32 32 ASP H H 1 8.800 0.004 . 1 . . . A 32 ASP H . 17997 1 197 . 1 1 32 32 ASP HA H 1 4.428 0.004 . 1 . . . A 32 ASP HA . 17997 1 198 . 1 1 32 32 ASP HB2 H 1 2.402 0.002 . 2 . . . A 32 ASP HB2 . 17997 1 199 . 1 1 32 32 ASP HB3 H 1 2.402 0.002 . 2 . . . A 32 ASP HB3 . 17997 1 200 . 1 1 33 33 MET H H 1 8.238 0.005 . 1 . . . A 33 MET H . 17997 1 201 . 1 1 33 33 MET HA H 1 4.356 0.001 . 1 . . . A 33 MET HA . 17997 1 202 . 1 1 33 33 MET HB2 H 1 2.084 0.008 . 2 . . . A 33 MET HB2 . 17997 1 203 . 1 1 33 33 MET HB3 H 1 1.895 0.008 . 2 . . . A 33 MET HB3 . 17997 1 204 . 1 1 33 33 MET HG2 H 1 1.645 0.007 . 2 . . . A 33 MET HG2 . 17997 1 205 . 1 1 33 33 MET HG3 H 1 1.645 0.007 . 2 . . . A 33 MET HG3 . 17997 1 206 . 1 1 33 33 MET HE1 H 1 1.445 0.009 . 1 . . . A 33 MET HE1 . 17997 1 207 . 1 1 33 33 MET HE2 H 1 1.445 0.009 . 1 . . . A 33 MET HE2 . 17997 1 208 . 1 1 33 33 MET HE3 H 1 1.445 0.009 . 1 . . . A 33 MET HE3 . 17997 1 209 . 1 1 34 34 VAL H H 1 9.195 0.005 . 1 . . . A 34 VAL H . 17997 1 210 . 1 1 34 34 VAL HA H 1 4.046 0.002 . 1 . . . A 34 VAL HA . 17997 1 211 . 1 1 34 34 VAL HB H 1 1.859 0.013 . 1 . . . A 34 VAL HB . 17997 1 212 . 1 1 34 34 VAL HG11 H 1 0.950 0.008 . 2 . . . A 34 VAL HG11 . 17997 1 213 . 1 1 34 34 VAL HG12 H 1 0.950 0.008 . 2 . . . A 34 VAL HG12 . 17997 1 214 . 1 1 34 34 VAL HG13 H 1 0.950 0.008 . 2 . . . A 34 VAL HG13 . 17997 1 215 . 1 1 34 34 VAL HG21 H 1 0.774 0.009 . 2 . . . A 34 VAL HG21 . 17997 1 216 . 1 1 34 34 VAL HG22 H 1 0.774 0.009 . 2 . . . A 34 VAL HG22 . 17997 1 217 . 1 1 34 34 VAL HG23 H 1 0.774 0.009 . 2 . . . A 34 VAL HG23 . 17997 1 218 . 1 1 35 35 LYS H H 1 8.831 0.007 . 1 . . . A 35 LYS H . 17997 1 219 . 1 1 35 35 LYS HA H 1 3.193 0.002 . 1 . . . A 35 LYS HA . 17997 1 220 . 1 1 35 35 LYS HB2 H 1 1.408 0.008 . 2 . . . A 35 LYS HB2 . 17997 1 221 . 1 1 35 35 LYS HB3 H 1 1.408 0.008 . 2 . . . A 35 LYS HB3 . 17997 1 222 . 1 1 35 35 LYS HG2 H 1 1.219 0.001 . 2 . . . A 35 LYS HG2 . 17997 1 223 . 1 1 35 35 LYS HG3 H 1 1.219 0.001 . 2 . . . A 35 LYS HG3 . 17997 1 224 . 1 1 35 35 LYS HD3 H 1 0.676 0.000 . 2 . . . A 35 LYS HD3 . 17997 1 225 . 1 1 35 35 LYS HE2 H 1 2.755 0.001 . 2 . . . A 35 LYS HE2 . 17997 1 226 . 1 1 35 35 LYS HE3 H 1 2.755 0.001 . 2 . . . A 35 LYS HE3 . 17997 1 227 . 1 1 36 36 GLN H H 1 8.691 0.006 . 1 . . . A 36 GLN H . 17997 1 228 . 1 1 36 36 GLN HA H 1 3.871 0.006 . 1 . . . A 36 GLN HA . 17997 1 229 . 1 1 36 36 GLN HB2 H 1 1.469 0.007 . 2 . . . A 36 GLN HB2 . 17997 1 230 . 1 1 36 36 GLN HB3 H 1 1.469 0.007 . 2 . . . A 36 GLN HB3 . 17997 1 231 . 1 1 36 36 GLN HG2 H 1 2.009 0.015 . 2 . . . A 36 GLN HG2 . 17997 1 232 . 1 1 36 36 GLN HG3 H 1 1.904 0.003 . 2 . . . A 36 GLN HG3 . 17997 1 233 . 1 1 36 36 GLN HE21 H 1 6.626 0.004 . 2 . . . A 36 GLN HE21 . 17997 1 234 . 1 1 36 36 GLN HE22 H 1 7.410 0.007 . 2 . . . A 36 GLN HE22 . 17997 1 stop_ save_