################################### # 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 19813 _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' . . . 19813 1 2 '2D 1H-1H COSY' . . . 19813 1 3 '2D 1H-1H NOESY' . . . 19813 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 VAL HA H 1 3.627 0.004 . 1 . . . A 1 VAL HA . 19813 1 2 . 1 1 1 1 VAL HB H 1 1.982 0.002 . 1 . . . A 1 VAL HB . 19813 1 3 . 1 1 1 1 VAL HG11 H 1 1.044 0.001 . 1 . . . A 1 VAL HG11 . 19813 1 4 . 1 1 1 1 VAL HG12 H 1 1.044 0.001 . 1 . . . A 1 VAL HG12 . 19813 1 5 . 1 1 1 1 VAL HG13 H 1 1.044 0.001 . 1 . . . A 1 VAL HG13 . 19813 1 6 . 1 1 1 1 VAL HG21 H 1 0.890 0.004 . 1 . . . A 1 VAL HG21 . 19813 1 7 . 1 1 1 1 VAL HG22 H 1 0.890 0.004 . 1 . . . A 1 VAL HG22 . 19813 1 8 . 1 1 1 1 VAL HG23 H 1 0.890 0.004 . 1 . . . A 1 VAL HG23 . 19813 1 9 . 1 1 2 2 GLY H H 1 9.090 0.001 . 1 . . . A 2 GLY H . 19813 1 10 . 1 1 2 2 GLY HA2 H 1 4.578 0.006 . 2 . . . A 2 GLY HA2 . 19813 1 11 . 1 1 2 2 GLY HA3 H 1 3.784 0.000 . 2 . . . A 2 GLY HA3 . 19813 1 12 . 1 1 3 3 ILE H H 1 8.120 0.003 . 1 . . . A 3 ILE H . 19813 1 13 . 1 1 3 3 ILE HA H 1 4.640 0.001 . 1 . . . A 3 ILE HA . 19813 1 14 . 1 1 3 3 ILE HB H 1 1.942 0.001 . 1 . . . A 3 ILE HB . 19813 1 15 . 1 1 3 3 ILE HG12 H 1 0.998 0.003 . 2 . . . A 3 ILE HG12 . 19813 1 16 . 1 1 3 3 ILE HG21 H 1 0.744 0.003 . 1 . . . A 3 ILE HG21 . 19813 1 17 . 1 1 3 3 ILE HG22 H 1 0.744 0.003 . 1 . . . A 3 ILE HG22 . 19813 1 18 . 1 1 3 3 ILE HG23 H 1 0.744 0.003 . 1 . . . A 3 ILE HG23 . 19813 1 19 . 1 1 3 3 ILE HD11 H 1 0.588 0.001 . 1 . . . A 3 ILE HD11 . 19813 1 20 . 1 1 3 3 ILE HD12 H 1 0.588 0.001 . 1 . . . A 3 ILE HD12 . 19813 1 21 . 1 1 3 3 ILE HD13 H 1 0.588 0.001 . 1 . . . A 3 ILE HD13 . 19813 1 22 . 1 1 4 4 ASN H H 1 8.860 0.001 . 1 . . . A 4 ASN H . 19813 1 23 . 1 1 4 4 ASN HA H 1 4.643 0.000 . 1 . . . A 4 ASN HA . 19813 1 24 . 1 1 4 4 ASN HB2 H 1 2.951 0.001 . 2 . . . A 4 ASN HB2 . 19813 1 25 . 1 1 4 4 ASN HB3 H 1 2.569 0.001 . 2 . . . A 4 ASN HB3 . 19813 1 26 . 1 1 4 4 ASN HD21 H 1 7.577 0.001 . 2 . . . A 4 ASN HD21 . 19813 1 27 . 1 1 4 4 ASN HD22 H 1 6.865 0.000 . 2 . . . A 4 ASN HD22 . 19813 1 28 . 1 1 5 5 VAL H H 1 7.507 0.002 . 1 . . . A 5 VAL H . 19813 1 29 . 1 1 5 5 VAL HA H 1 4.101 0.009 . 1 . . . A 5 VAL HA . 19813 1 30 . 1 1 5 5 VAL HB H 1 1.249 0.003 . 1 . . . A 5 VAL HB . 19813 1 31 . 1 1 5 5 VAL HG11 H 1 0.896 0.004 . 2 . . . A 5 VAL HG11 . 19813 1 32 . 1 1 5 5 VAL HG12 H 1 0.896 0.004 . 2 . . . A 5 VAL HG12 . 19813 1 33 . 1 1 5 5 VAL HG13 H 1 0.896 0.004 . 2 . . . A 5 VAL HG13 . 19813 1 34 . 1 1 5 5 VAL HG21 H 1 0.818 0.002 . 2 . . . A 5 VAL HG21 . 19813 1 35 . 1 1 5 5 VAL HG22 H 1 0.818 0.002 . 2 . . . A 5 VAL HG22 . 19813 1 36 . 1 1 5 5 VAL HG23 H 1 0.818 0.002 . 2 . . . A 5 VAL HG23 . 19813 1 37 . 1 1 6 6 ASP H H 1 8.417 0.001 . 1 . . . A 6 ASP H . 19813 1 38 . 1 1 6 6 ASP HA H 1 5.086 0.000 . 1 . . . A 6 ASP HA . 19813 1 39 . 1 1 6 6 ASP HB2 H 1 2.647 0.001 . 2 . . . A 6 ASP HB2 . 19813 1 40 . 1 1 6 6 ASP HB3 H 1 2.460 0.001 . 2 . . . A 6 ASP HB3 . 19813 1 41 . 1 1 7 7 CYS H H 1 8.162 0.003 . 1 . . . A 7 CYS H . 19813 1 42 . 1 1 7 7 CYS HA H 1 4.587 0.000 . 1 . . . A 7 CYS HA . 19813 1 43 . 1 1 7 7 CYS HB2 H 1 2.937 0.004 . 2 . . . A 7 CYS HB2 . 19813 1 44 . 1 1 7 7 CYS HB3 H 1 2.721 0.001 . 2 . . . A 7 CYS HB3 . 19813 1 45 . 1 1 8 8 LYS H H 1 8.953 0.002 . 1 . . . A 8 LYS H . 19813 1 46 . 1 1 8 8 LYS HA H 1 4.322 0.001 . 1 . . . A 8 LYS HA . 19813 1 47 . 1 1 8 8 LYS HB2 H 1 1.549 0.002 . 2 . . . A 8 LYS HB2 . 19813 1 48 . 1 1 8 8 LYS HB3 H 1 1.493 0.001 . 2 . . . A 8 LYS HB3 . 19813 1 49 . 1 1 8 8 LYS HG2 H 1 1.341 0.000 . 2 . . . A 8 LYS HG2 . 19813 1 50 . 1 1 8 8 LYS HG3 H 1 1.259 0.000 . 2 . . . A 8 LYS HG3 . 19813 1 51 . 1 1 8 8 LYS HD2 H 1 1.548 0.002 . 1 . . . A 8 LYS HD2 . 19813 1 52 . 1 1 8 8 LYS HD3 H 1 1.548 0.001 . 1 . . . A 8 LYS HD3 . 19813 1 53 . 1 1 8 8 LYS HE2 H 1 3.278 0.000 . 2 . . . A 8 LYS HE2 . 19813 1 54 . 1 1 8 8 LYS HE3 H 1 3.145 0.000 . 2 . . . A 8 LYS HE3 . 19813 1 55 . 1 1 9 9 HIS H H 1 8.082 0.001 . 1 . . . A 9 HIS H . 19813 1 56 . 1 1 9 9 HIS HA H 1 5.065 0.002 . 1 . . . A 9 HIS HA . 19813 1 57 . 1 1 9 9 HIS HB2 H 1 3.521 0.008 . 2 . . . A 9 HIS HB2 . 19813 1 58 . 1 1 9 9 HIS HB3 H 1 3.009 0.001 . 2 . . . A 9 HIS HB3 . 19813 1 59 . 1 1 9 9 HIS HE1 H 1 7.123 0.002 . 1 . . . A 9 HIS HE1 . 19813 1 60 . 1 1 10 10 SER H H 1 9.928 0.001 . 1 . . . A 10 SER H . 19813 1 61 . 1 1 10 10 SER HA H 1 4.778 0.002 . 1 . . . A 10 SER HA . 19813 1 62 . 1 1 10 10 SER HB2 H 1 4.106 0.005 . 2 . . . A 10 SER HB2 . 19813 1 63 . 1 1 10 10 SER HB3 H 1 3.952 0.000 . 2 . . . A 10 SER HB3 . 19813 1 64 . 1 1 11 11 GLY HA2 H 1 3.989 0.000 . 2 . . . A 11 GLY HA2 . 19813 1 65 . 1 1 11 11 GLY HA3 H 1 3.873 0.001 . 2 . . . A 11 GLY HA3 . 19813 1 66 . 1 1 12 12 GLN H H 1 7.440 0.001 . 1 . . . A 12 GLN H . 19813 1 67 . 1 1 12 12 GLN HA H 1 4.234 0.010 . 1 . . . A 12 GLN HA . 19813 1 68 . 1 1 12 12 GLN HB2 H 1 2.368 0.004 . 1 . . . A 12 GLN HB2 . 19813 1 69 . 1 1 12 12 GLN HB3 H 1 2.368 0.004 . 1 . . . A 12 GLN HB3 . 19813 1 70 . 1 1 12 12 GLN HG2 H 1 2.493 0.003 . 2 . . . A 12 GLN HG2 . 19813 1 71 . 1 1 12 12 GLN HG3 H 1 2.202 0.006 . 2 . . . A 12 GLN HG3 . 19813 1 72 . 1 1 12 12 GLN HE21 H 1 7.778 0.001 . 2 . . . A 12 GLN HE21 . 19813 1 73 . 1 1 12 12 GLN HE22 H 1 7.060 0.001 . 2 . . . A 12 GLN HE22 . 19813 1 74 . 1 1 13 13 CYS H H 1 8.033 0.003 . 1 . . . A 13 CYS H . 19813 1 75 . 1 1 13 13 CYS HA H 1 4.698 0.001 . 1 . . . A 13 CYS HA . 19813 1 76 . 1 1 13 13 CYS HB2 H 1 3.039 0.003 . 2 . . . A 13 CYS HB2 . 19813 1 77 . 1 1 13 13 CYS HB3 H 1 2.575 0.004 . 2 . . . A 13 CYS HB3 . 19813 1 78 . 1 1 14 14 LEU H H 1 7.060 0.001 . 1 . . . A 14 LEU H . 19813 1 79 . 1 1 14 14 LEU HA H 1 4.130 0.001 . 1 . . . A 14 LEU HA . 19813 1 80 . 1 1 14 14 LEU HB2 H 1 1.793 0.003 . 2 . . . A 14 LEU HB2 . 19813 1 81 . 1 1 14 14 LEU HB3 H 1 1.670 0.006 . 2 . . . A 14 LEU HB3 . 19813 1 82 . 1 1 14 14 LEU HD11 H 1 0.996 0.001 . 1 . . . A 14 LEU HD11 . 19813 1 83 . 1 1 14 14 LEU HD12 H 1 0.996 0.001 . 1 . . . A 14 LEU HD12 . 19813 1 84 . 1 1 14 14 LEU HD13 H 1 0.996 0.001 . 1 . . . A 14 LEU HD13 . 19813 1 85 . 1 1 14 14 LEU HD21 H 1 0.863 0.002 . 1 . . . A 14 LEU HD21 . 19813 1 86 . 1 1 14 14 LEU HD22 H 1 0.863 0.002 . 1 . . . A 14 LEU HD22 . 19813 1 87 . 1 1 14 14 LEU HD23 H 1 0.863 0.002 . 1 . . . A 14 LEU HD23 . 19813 1 88 . 1 1 15 15 LYS H H 1 9.022 0.002 . 1 . . . A 15 LYS H . 19813 1 89 . 1 1 15 15 LYS HA H 1 4.199 0.005 . 1 . . . A 15 LYS HA . 19813 1 90 . 1 1 15 15 LYS HB2 H 1 1.879 0.007 . 2 . . . A 15 LYS HB2 . 19813 1 91 . 1 1 15 15 LYS HB3 H 1 1.845 0.003 . 2 . . . A 15 LYS HB3 . 19813 1 92 . 1 1 15 15 LYS HG2 H 1 1.355 0.003 . 2 . . . A 15 LYS HG2 . 19813 1 93 . 1 1 15 15 LYS HG3 H 1 1.530 0.003 . 2 . . . A 15 LYS HG3 . 19813 1 94 . 1 1 15 15 LYS HD2 H 1 1.669 0.000 . 1 . . . A 15 LYS HD2 . 19813 1 95 . 1 1 15 15 LYS HD3 H 1 1.669 0.000 . 1 . . . A 15 LYS HD3 . 19813 1 96 . 1 1 15 15 LYS HE2 H 1 2.961 0.001 . 1 . . . A 15 LYS HE2 . 19813 1 97 . 1 1 15 15 LYS HE3 H 1 2.961 0.001 . 1 . . . A 15 LYS HE3 . 19813 1 98 . 1 1 16 16 PRO HA H 1 4.187 0.004 . 1 . . . A 16 PRO HA . 19813 1 99 . 1 1 16 16 PRO HB2 H 1 1.658 0.001 . 1 . . . A 16 PRO HB2 . 19813 1 100 . 1 1 16 16 PRO HB3 H 1 1.658 0.001 . 1 . . . A 16 PRO HB3 . 19813 1 101 . 1 1 16 16 PRO HG2 H 1 2.274 0.004 . 2 . . . A 16 PRO HG2 . 19813 1 102 . 1 1 16 16 PRO HG3 H 1 2.060 0.002 . 2 . . . A 16 PRO HG3 . 19813 1 103 . 1 1 16 16 PRO HD2 H 1 3.614 0.004 . 2 . . . A 16 PRO HD2 . 19813 1 104 . 1 1 16 16 PRO HD3 H 1 3.534 0.005 . 2 . . . A 16 PRO HD3 . 19813 1 105 . 1 1 17 17 CYS H H 1 7.937 0.002 . 1 . . . A 17 CYS H . 19813 1 106 . 1 1 17 17 CYS HA H 1 4.402 0.000 . 1 . . . A 17 CYS HA . 19813 1 107 . 1 1 17 17 CYS HB2 H 1 3.034 0.000 . 2 . . . A 17 CYS HB2 . 19813 1 108 . 1 1 17 17 CYS HB3 H 1 2.289 0.003 . 2 . . . A 17 CYS HB3 . 19813 1 109 . 1 1 18 18 LYS H H 1 7.812 0.001 . 1 . . . A 18 LYS H . 19813 1 110 . 1 1 18 18 LYS HA H 1 4.250 0.002 . 1 . . . A 18 LYS HA . 19813 1 111 . 1 1 18 18 LYS HB2 H 1 1.878 0.002 . 1 . . . A 18 LYS HB2 . 19813 1 112 . 1 1 18 18 LYS HB3 H 1 1.878 0.002 . 1 . . . A 18 LYS HB3 . 19813 1 113 . 1 1 18 18 LYS HG2 H 1 1.526 0.000 . 2 . . . A 18 LYS HG2 . 19813 1 114 . 1 1 18 18 LYS HG3 H 1 1.382 0.005 . 2 . . . A 18 LYS HG3 . 19813 1 115 . 1 1 18 18 LYS HD2 H 1 1.645 0.000 . 1 . . . A 18 LYS HD2 . 19813 1 116 . 1 1 18 18 LYS HD3 H 1 1.645 0.000 . 1 . . . A 18 LYS HD3 . 19813 1 117 . 1 1 18 18 LYS HE2 H 1 2.946 0.000 . 1 . . . A 18 LYS HE2 . 19813 1 118 . 1 1 18 18 LYS HE3 H 1 2.946 0.000 . 1 . . . A 18 LYS HE3 . 19813 1 119 . 1 1 19 19 LYS H H 1 8.481 0.001 . 1 . . . A 19 LYS H . 19813 1 120 . 1 1 19 19 LYS HA H 1 4.008 0.005 . 1 . . . A 19 LYS HA . 19813 1 121 . 1 1 19 19 LYS HB2 H 1 1.889 0.003 . 2 . . . A 19 LYS HB2 . 19813 1 122 . 1 1 19 19 LYS HB3 H 1 1.817 0.001 . 2 . . . A 19 LYS HB3 . 19813 1 123 . 1 1 19 19 LYS HG2 H 1 1.500 0.002 . 2 . . . A 19 LYS HG2 . 19813 1 124 . 1 1 19 19 LYS HG3 H 1 1.430 0.000 . 2 . . . A 19 LYS HG3 . 19813 1 125 . 1 1 19 19 LYS HD2 H 1 1.614 0.000 . 1 . . . A 19 LYS HD2 . 19813 1 126 . 1 1 19 19 LYS HD3 H 1 1.614 0.000 . 1 . . . A 19 LYS HD3 . 19813 1 127 . 1 1 19 19 LYS HE2 H 1 2.922 0.000 . 1 . . . A 19 LYS HE2 . 19813 1 128 . 1 1 19 19 LYS HE3 H 1 2.922 0.000 . 1 . . . A 19 LYS HE3 . 19813 1 129 . 1 1 20 20 ALA H H 1 7.327 0.001 . 1 . . . A 20 ALA H . 19813 1 130 . 1 1 20 20 ALA HA H 1 4.390 0.006 . 1 . . . A 20 ALA HA . 19813 1 131 . 1 1 20 20 ALA HB1 H 1 1.464 0.003 . 1 . . . A 20 ALA HB1 . 19813 1 132 . 1 1 20 20 ALA HB2 H 1 1.464 0.003 . 1 . . . A 20 ALA HB2 . 19813 1 133 . 1 1 20 20 ALA HB3 H 1 1.464 0.003 . 1 . . . A 20 ALA HB3 . 19813 1 134 . 1 1 21 21 GLY H H 1 7.912 0.001 . 1 . . . A 21 GLY H . 19813 1 135 . 1 1 21 21 GLY HA2 H 1 4.097 0.000 . 2 . . . A 21 GLY HA2 . 19813 1 136 . 1 1 21 21 GLY HA3 H 1 3.803 0.001 . 2 . . . A 21 GLY HA3 . 19813 1 137 . 1 1 22 22 MET H H 1 8.041 0.005 . 1 . . . A 22 MET H . 19813 1 138 . 1 1 22 22 MET HA H 1 4.513 0.000 . 1 . . . A 22 MET HA . 19813 1 139 . 1 1 22 22 MET HB2 H 1 2.051 0.003 . 2 . . . A 22 MET HB2 . 19813 1 140 . 1 1 22 22 MET HB3 H 1 1.666 0.002 . 2 . . . A 22 MET HB3 . 19813 1 141 . 1 1 22 22 MET HG2 H 1 2.420 0.002 . 2 . . . A 22 MET HG2 . 19813 1 142 . 1 1 22 22 MET HG3 H 1 2.226 0.004 . 2 . . . A 22 MET HG3 . 19813 1 143 . 1 1 23 23 ARG H H 1 8.476 0.002 . 1 . . . A 23 ARG H . 19813 1 144 . 1 1 23 23 ARG HA H 1 4.420 0.002 . 1 . . . A 23 ARG HA . 19813 1 145 . 1 1 23 23 ARG HB2 H 1 1.269 0.002 . 2 . . . A 23 ARG HB2 . 19813 1 146 . 1 1 23 23 ARG HB3 H 1 1.199 0.002 . 2 . . . A 23 ARG HB3 . 19813 1 147 . 1 1 23 23 ARG HG2 H 1 1.125 0.004 . 2 . . . A 23 ARG HG2 . 19813 1 148 . 1 1 23 23 ARG HG3 H 1 0.959 0.003 . 2 . . . A 23 ARG HG3 . 19813 1 149 . 1 1 23 23 ARG HD2 H 1 2.778 0.004 . 2 . . . A 23 ARG HD2 . 19813 1 150 . 1 1 23 23 ARG HD3 H 1 2.725 0.004 . 2 . . . A 23 ARG HD3 . 19813 1 151 . 1 1 23 23 ARG HH21 H 1 6.795 0.001 . 1 . . . A 23 ARG HH21 . 19813 1 152 . 1 1 23 23 ARG HH22 H 1 6.795 0.001 . 1 . . . A 23 ARG HH22 . 19813 1 153 . 1 1 24 24 PHE H H 1 8.155 0.001 . 1 . . . A 24 PHE H . 19813 1 154 . 1 1 24 24 PHE HA H 1 4.315 0.005 . 1 . . . A 24 PHE HA . 19813 1 155 . 1 1 24 24 PHE HB2 H 1 3.260 0.003 . 2 . . . A 24 PHE HB2 . 19813 1 156 . 1 1 24 24 PHE HB3 H 1 3.142 0.001 . 2 . . . A 24 PHE HB3 . 19813 1 157 . 1 1 24 24 PHE HE1 H 1 7.300 0.002 . 3 . . . A 24 PHE HE1 . 19813 1 158 . 1 1 24 24 PHE HE2 H 1 7.144 0.003 . 3 . . . A 24 PHE HE2 . 19813 1 159 . 1 1 25 25 GLY H H 1 8.036 0.001 . 1 . . . A 25 GLY H . 19813 1 160 . 1 1 25 25 GLY HA2 H 1 4.614 0.002 . 2 . . . A 25 GLY HA2 . 19813 1 161 . 1 1 25 25 GLY HA3 H 1 3.884 0.003 . 2 . . . A 25 GLY HA3 . 19813 1 162 . 1 1 26 26 LYS H H 1 8.982 0.007 . 1 . . . A 26 LYS H . 19813 1 163 . 1 1 26 26 LYS HA H 1 4.575 0.000 . 1 . . . A 26 LYS HA . 19813 1 164 . 1 1 26 26 LYS HB2 H 1 1.709 0.003 . 1 . . . A 26 LYS HB2 . 19813 1 165 . 1 1 26 26 LYS HB3 H 1 1.709 0.003 . 1 . . . A 26 LYS HB3 . 19813 1 166 . 1 1 26 26 LYS HG2 H 1 1.351 0.004 . 1 . . . A 26 LYS HG2 . 19813 1 167 . 1 1 26 26 LYS HG3 H 1 1.351 0.004 . 1 . . . A 26 LYS HG3 . 19813 1 168 . 1 1 26 26 LYS HD2 H 1 1.709 0.000 . 1 . . . A 26 LYS HD2 . 19813 1 169 . 1 1 26 26 LYS HD3 H 1 1.709 0.000 . 1 . . . A 26 LYS HD3 . 19813 1 170 . 1 1 26 26 LYS HE2 H 1 2.888 0.000 . 1 . . . A 26 LYS HE2 . 19813 1 171 . 1 1 26 26 LYS HE3 H 1 2.888 0.000 . 1 . . . A 26 LYS HE3 . 19813 1 172 . 1 1 27 27 CYS H H 1 8.743 0.003 . 1 . . . A 27 CYS H . 19813 1 173 . 1 1 27 27 CYS HA H 1 4.768 0.005 . 1 . . . A 27 CYS HA . 19813 1 174 . 1 1 27 27 CYS HB2 H 1 2.832 0.004 . 2 . . . A 27 CYS HB2 . 19813 1 175 . 1 1 27 27 CYS HB3 H 1 2.235 0.001 . 2 . . . A 27 CYS HB3 . 19813 1 176 . 1 1 28 28 ILE H H 1 8.839 0.004 . 1 . . . A 28 ILE H . 19813 1 177 . 1 1 28 28 ILE HA H 1 4.286 0.000 . 1 . . . A 28 ILE HA . 19813 1 178 . 1 1 28 28 ILE HB H 1 1.728 0.005 . 1 . . . A 28 ILE HB . 19813 1 179 . 1 1 28 28 ILE HG12 H 1 1.375 0.003 . 2 . . . A 28 ILE HG12 . 19813 1 180 . 1 1 28 28 ILE HG13 H 1 0.958 0.005 . 2 . . . A 28 ILE HG13 . 19813 1 181 . 1 1 28 28 ILE HG21 H 1 0.806 0.003 . 1 . . . A 28 ILE HG21 . 19813 1 182 . 1 1 28 28 ILE HG22 H 1 0.806 0.003 . 1 . . . A 28 ILE HG22 . 19813 1 183 . 1 1 28 28 ILE HG23 H 1 0.806 0.003 . 1 . . . A 28 ILE HG23 . 19813 1 184 . 1 1 28 28 ILE HD11 H 1 0.742 0.002 . 1 . . . A 28 ILE HD11 . 19813 1 185 . 1 1 28 28 ILE HD12 H 1 0.742 0.002 . 1 . . . A 28 ILE HD12 . 19813 1 186 . 1 1 28 28 ILE HD13 H 1 0.742 0.002 . 1 . . . A 28 ILE HD13 . 19813 1 187 . 1 1 29 29 ASN H H 1 9.399 0.001 . 1 . . . A 29 ASN H . 19813 1 188 . 1 1 29 29 ASN HA H 1 4.290 0.002 . 1 . . . A 29 ASN HA . 19813 1 189 . 1 1 29 29 ASN HB2 H 1 3.023 0.001 . 2 . . . A 29 ASN HB2 . 19813 1 190 . 1 1 29 29 ASN HB3 H 1 2.725 0.000 . 2 . . . A 29 ASN HB3 . 19813 1 191 . 1 1 29 29 ASN HD21 H 1 7.633 0.002 . 2 . . . A 29 ASN HD21 . 19813 1 192 . 1 1 29 29 ASN HD22 H 1 6.873 0.001 . 2 . . . A 29 ASN HD22 . 19813 1 193 . 1 1 30 30 GLY H H 1 8.154 0.000 . 1 . . . A 30 GLY H . 19813 1 194 . 1 1 30 30 GLY HA2 H 1 4.023 0.001 . 1 . . . A 30 GLY HA2 . 19813 1 195 . 1 1 30 30 GLY HA3 H 1 4.023 0.001 . 1 . . . A 30 GLY HA3 . 19813 1 196 . 1 1 31 31 LYS H H 1 7.633 0.004 . 1 . . . A 31 LYS H . 19813 1 197 . 1 1 31 31 LYS HA H 1 5.364 0.000 . 1 . . . A 31 LYS HA . 19813 1 198 . 1 1 31 31 LYS HB2 H 1 1.891 0.000 . 2 . . . A 31 LYS HB2 . 19813 1 199 . 1 1 31 31 LYS HB3 H 1 1.778 0.000 . 2 . . . A 31 LYS HB3 . 19813 1 200 . 1 1 31 31 LYS HG2 H 1 1.407 0.000 . 1 . . . A 31 LYS HG2 . 19813 1 201 . 1 1 31 31 LYS HG3 H 1 1.407 0.000 . 1 . . . A 31 LYS HG3 . 19813 1 202 . 1 1 31 31 LYS HD2 H 1 1.464 0.000 . 1 . . . A 31 LYS HD2 . 19813 1 203 . 1 1 31 31 LYS HD3 H 1 1.464 0.000 . 1 . . . A 31 LYS HD3 . 19813 1 204 . 1 1 31 31 LYS HE2 H 1 2.928 0.000 . 1 . . . A 31 LYS HE2 . 19813 1 205 . 1 1 31 31 LYS HE3 H 1 2.928 0.000 . 1 . . . A 31 LYS HE3 . 19813 1 206 . 1 1 32 32 CYS H H 1 8.315 0.001 . 1 . . . A 32 CYS H . 19813 1 207 . 1 1 32 32 CYS HA H 1 4.915 0.001 . 1 . . . A 32 CYS HA . 19813 1 208 . 1 1 32 32 CYS HB2 H 1 2.601 0.004 . 2 . . . A 32 CYS HB2 . 19813 1 209 . 1 1 32 32 CYS HB3 H 1 2.418 0.001 . 2 . . . A 32 CYS HB3 . 19813 1 210 . 1 1 33 33 ASP H H 1 9.453 0.003 . 1 . . . A 33 ASP H . 19813 1 211 . 1 1 33 33 ASP HA H 1 5.091 0.002 . 1 . . . A 33 ASP HA . 19813 1 212 . 1 1 33 33 ASP HB2 H 1 2.631 0.003 . 2 . . . A 33 ASP HB2 . 19813 1 213 . 1 1 33 33 ASP HB3 H 1 2.344 0.007 . 2 . . . A 33 ASP HB3 . 19813 1 214 . 1 1 34 34 CYS H H 1 8.992 0.006 . 1 . . . A 34 CYS H . 19813 1 215 . 1 1 34 34 CYS HA H 1 5.188 0.000 . 1 . . . A 34 CYS HA . 19813 1 216 . 1 1 34 34 CYS HB2 H 1 2.963 0.002 . 2 . . . A 34 CYS HB2 . 19813 1 217 . 1 1 34 34 CYS HB3 H 1 2.684 0.002 . 2 . . . A 34 CYS HB3 . 19813 1 218 . 1 1 35 35 THR H H 1 8.676 0.003 . 1 . . . A 35 THR H . 19813 1 219 . 1 1 35 35 THR HA H 1 4.881 0.000 . 1 . . . A 35 THR HA . 19813 1 220 . 1 1 35 35 THR HB H 1 3.836 0.004 . 1 . . . A 35 THR HB . 19813 1 221 . 1 1 35 35 THR HG21 H 1 1.380 0.002 . 1 . . . A 35 THR HG21 . 19813 1 222 . 1 1 35 35 THR HG22 H 1 1.380 0.002 . 1 . . . A 35 THR HG22 . 19813 1 223 . 1 1 35 35 THR HG23 H 1 1.380 0.002 . 1 . . . A 35 THR HG23 . 19813 1 224 . 1 1 36 36 PRO HA H 1 4.312 0.005 . 1 . . . A 36 PRO HA . 19813 1 225 . 1 1 36 36 PRO HB2 H 1 2.295 0.005 . 2 . . . A 36 PRO HB2 . 19813 1 226 . 1 1 36 36 PRO HB3 H 1 1.964 0.005 . 2 . . . A 36 PRO HB3 . 19813 1 227 . 1 1 36 36 PRO HG2 H 1 2.062 0.005 . 2 . . . A 36 PRO HG2 . 19813 1 228 . 1 1 36 36 PRO HG3 H 1 1.943 0.010 . 2 . . . A 36 PRO HG3 . 19813 1 229 . 1 1 36 36 PRO HD2 H 1 3.951 0.005 . 2 . . . A 36 PRO HD2 . 19813 1 230 . 1 1 36 36 PRO HD3 H 1 3.817 0.006 . 2 . . . A 36 PRO HD3 . 19813 1 231 . 1 1 37 37 LYS H H 1 8.272 0.003 . 1 . . . A 37 LYS H . 19813 1 232 . 1 1 37 37 LYS HA H 1 3.800 0.002 . 1 . . . A 37 LYS HA . 19813 1 233 . 1 1 37 37 LYS HB2 H 1 1.670 0.003 . 1 . . . A 37 LYS HB2 . 19813 1 234 . 1 1 37 37 LYS HB3 H 1 1.670 0.003 . 1 . . . A 37 LYS HB3 . 19813 1 235 . 1 1 37 37 LYS HG2 H 1 1.242 0.000 . 1 . . . A 37 LYS HG2 . 19813 1 236 . 1 1 37 37 LYS HG3 H 1 1.242 0.000 . 1 . . . A 37 LYS HG3 . 19813 1 237 . 1 1 37 37 LYS HD2 H 1 1.300 0.000 . 1 . . . A 37 LYS HD2 . 19813 1 238 . 1 1 37 37 LYS HD3 H 1 1.300 0.000 . 1 . . . A 37 LYS HD3 . 19813 1 239 . 1 1 37 37 LYS HE2 H 1 2.839 0.000 . 1 . . . A 37 LYS HE2 . 19813 1 240 . 1 1 37 37 LYS HE3 H 1 2.839 0.000 . 1 . . . A 37 LYS HE3 . 19813 1 stop_ save_