################################### # 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 17888 _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-15N HSQC' . . . 17888 1 2 '2D 1H-1H TOCSY' . . . 17888 1 3 '2D 1H-1H NOESY' . . . 17888 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 GLU H H 1 8.430 0.002 . . . . . A 1 GLU H1 . 17888 1 2 . 1 1 1 1 GLU HA H 1 4.295 0.000 . . . . . A 1 GLU HA . 17888 1 3 . 1 1 1 1 GLU HG2 H 1 2.248 0.001 . . . . . A 1 GLU HG2 . 17888 1 4 . 1 1 1 1 GLU HG3 H 1 2.248 0.001 . . . . . A 1 GLU HG3 . 17888 1 5 . 1 1 2 2 LYS H H 1 8.427 0.000 . . . . . A 2 LYS H . 17888 1 6 . 1 1 2 2 LYS HA H 1 4.348 0.001 . . . . . A 2 LYS HA . 17888 1 7 . 1 1 2 2 LYS HB2 H 1 1.805 0.002 . . . . . A 2 LYS HB2 . 17888 1 8 . 1 1 2 2 LYS HB3 H 1 1.805 0.002 . . . . . A 2 LYS HB3 . 17888 1 9 . 1 1 2 2 LYS HG2 H 1 1.438 0.001 . . . . . A 2 LYS HG2 . 17888 1 10 . 1 1 2 2 LYS HG3 H 1 1.438 0.001 . . . . . A 2 LYS HG3 . 17888 1 11 . 1 1 2 2 LYS HD2 H 1 1.752 0.000 . . . . . A 2 LYS HD2 . 17888 1 12 . 1 1 2 2 LYS HD3 H 1 1.752 0.000 . . . . . A 2 LYS HD3 . 17888 1 13 . 1 1 2 2 LYS HE2 H 1 2.995 0.000 . . . . . A 2 LYS HE2 . 17888 1 14 . 1 1 2 2 LYS HE3 H 1 2.995 0.000 . . . . . A 2 LYS HE3 . 17888 1 15 . 1 1 3 3 LEU H H 1 8.487 0.001 . . . . . A 3 LEU H . 17888 1 16 . 1 1 3 3 LEU HA H 1 4.345 0.006 . . . . . A 3 LEU HA . 17888 1 17 . 1 1 3 3 LEU HB2 H 1 1.563 0.002 . . . . . A 3 LEU HB2 . 17888 1 18 . 1 1 3 3 LEU HB3 H 1 1.640 0.003 . . . . . A 3 LEU HB3 . 17888 1 19 . 1 1 3 3 LEU HD11 H 1 0.931 0.003 . . . . . A 3 LEU HD11 . 17888 1 20 . 1 1 3 3 LEU HD12 H 1 0.931 0.003 . . . . . A 3 LEU HD12 . 17888 1 21 . 1 1 3 3 LEU HD13 H 1 0.931 0.003 . . . . . A 3 LEU HD13 . 17888 1 22 . 1 1 3 3 LEU HD21 H 1 0.879 0.001 . . . . . A 3 LEU HD21 . 17888 1 23 . 1 1 3 3 LEU HD22 H 1 0.879 0.001 . . . . . A 3 LEU HD22 . 17888 1 24 . 1 1 3 3 LEU HD23 H 1 0.879 0.001 . . . . . A 3 LEU HD23 . 17888 1 25 . 1 1 4 4 LYS H H 1 8.409 0.005 . . . . . A 4 LYS H . 17888 1 26 . 1 1 4 4 LYS HA H 1 4.270 0.002 . . . . . A 4 LYS HA . 17888 1 27 . 1 1 4 4 LYS HB2 H 1 1.822 0.001 . . . . . A 4 LYS HB2 . 17888 1 28 . 1 1 4 4 LYS HB3 H 1 1.822 0.001 . . . . . A 4 LYS HB3 . 17888 1 29 . 1 1 4 4 LYS HG2 H 1 1.453 0.002 . . . . . A 4 LYS HG2 . 17888 1 30 . 1 1 4 4 LYS HG3 H 1 1.407 0.003 . . . . . A 4 LYS HG3 . 17888 1 31 . 1 1 4 4 LYS HD2 H 1 1.758 0.003 . . . . . A 4 LYS HD2 . 17888 1 32 . 1 1 4 4 LYS HD3 H 1 1.758 0.003 . . . . . A 4 LYS HD3 . 17888 1 33 . 1 1 4 4 LYS HE2 H 1 3.000 0.002 . . . . . A 4 LYS HE2 . 17888 1 34 . 1 1 4 4 LYS HE3 H 1 3.000 0.002 . . . . . A 4 LYS HE3 . 17888 1 35 . 1 1 5 5 GLN H H 1 8.428 0.002 . . . . . A 5 GLN H . 17888 1 36 . 1 1 5 5 GLN HA H 1 4.273 0.004 . . . . . A 5 GLN HA . 17888 1 37 . 1 1 5 5 GLN HB2 H 1 2.332 0.004 . . . . . A 5 GLN HB2 . 17888 1 38 . 1 1 5 5 GLN HB3 H 1 2.332 0.004 . . . . . A 5 GLN HB3 . 17888 1 39 . 1 1 5 5 GLN HG2 H 1 2.067 0.007 . . . . . A 5 GLN HG2 . 17888 1 40 . 1 1 5 5 GLN HE21 H 1 7.575 0.007 . . . . . A 5 GLN HE21 . 17888 1 41 . 1 1 5 5 GLN HE22 H 1 6.884 0.005 . . . . . A 5 GLN HE22 . 17888 1 42 . 1 1 6 6 ASP H H 1 8.417 0.002 . . . . . A 6 ASP H . 17888 1 43 . 1 1 6 6 ASP HA H 1 4.603 0.002 . . . . . A 6 ASP HA . 17888 1 44 . 1 1 6 6 ASP HB2 H 1 2.696 0.001 . . . . . A 6 ASP HB2 . 17888 1 45 . 1 1 6 6 ASP HB3 H 1 2.598 0.004 . . . . . A 6 ASP HB3 . 17888 1 46 . 1 1 7 7 ILE H H 1 8.032 0.003 . . . . . A 7 ILE H . 17888 1 47 . 1 1 7 7 ILE HA H 1 4.128 0.001 . . . . . A 7 ILE HA . 17888 1 48 . 1 1 7 7 ILE HB H 1 1.914 0.002 . . . . . A 7 ILE HB . 17888 1 49 . 1 1 7 7 ILE HG12 H 1 1.447 0.002 . . . . . A 7 ILE HG12 . 17888 1 50 . 1 1 7 7 ILE HG13 H 1 1.447 0.002 . . . . . A 7 ILE HG13 . 17888 1 51 . 1 1 7 7 ILE HG21 H 1 1.182 0.000 . . . . . A 7 ILE HG21 . 17888 1 52 . 1 1 7 7 ILE HG22 H 1 1.182 0.000 . . . . . A 7 ILE HG22 . 17888 1 53 . 1 1 7 7 ILE HG23 H 1 1.182 0.000 . . . . . A 7 ILE HG23 . 17888 1 54 . 1 1 7 7 ILE HD11 H 1 0.908 0.003 . . . . . A 7 ILE HD11 . 17888 1 55 . 1 1 7 7 ILE HD12 H 1 0.908 0.003 . . . . . A 7 ILE HD12 . 17888 1 56 . 1 1 7 7 ILE HD13 H 1 0.908 0.003 . . . . . A 7 ILE HD13 . 17888 1 57 . 1 1 8 8 LEU H H 1 8.224 0.003 . . . . . A 8 LEU H . 17888 1 58 . 1 1 8 8 LEU HA H 1 4.298 0.002 . . . . . A 8 LEU HA . 17888 1 59 . 1 1 8 8 LEU HB2 H 1 1.551 0.003 . . . . . A 8 LEU HB2 . 17888 1 60 . 1 1 8 8 LEU HB3 H 1 1.670 0.002 . . . . . A 8 LEU HB3 . 17888 1 61 . 1 1 8 8 LEU HD11 H 1 0.914 0.000 . . . . . A 8 LEU HD11 . 17888 1 62 . 1 1 8 8 LEU HD12 H 1 0.914 0.000 . . . . . A 8 LEU HD12 . 17888 1 63 . 1 1 8 8 LEU HD13 H 1 0.914 0.000 . . . . . A 8 LEU HD13 . 17888 1 64 . 1 1 8 8 LEU HD21 H 1 0.865 0.000 . . . . . A 8 LEU HD21 . 17888 1 65 . 1 1 8 8 LEU HD22 H 1 0.865 0.000 . . . . . A 8 LEU HD22 . 17888 1 66 . 1 1 8 8 LEU HD23 H 1 0.865 0.000 . . . . . A 8 LEU HD23 . 17888 1 67 . 1 1 9 9 ASN H H 1 8.295 0.003 . . . . . A 9 ASN H . 17888 1 68 . 1 1 9 9 ASN HA H 1 4.678 0.003 . . . . . A 9 ASN HA . 17888 1 69 . 1 1 9 9 ASN HB2 H 1 2.840 0.003 . . . . . A 9 ASN HB2 . 17888 1 70 . 1 1 9 9 ASN HB3 H 1 2.717 0.002 . . . . . A 9 ASN HB3 . 17888 1 71 . 1 1 9 9 ASN HD21 H 1 7.657 0.002 . . . . . A 9 ASN HD21 . 17888 1 72 . 1 1 9 9 ASN HD22 H 1 6.868 0.001 . . . . . A 9 ASN HD22 . 17888 1 73 . 1 1 10 10 LEU H H 1 8.103 0.002 . . . . . A 10 LEU H . 17888 1 74 . 1 1 10 10 LEU HA H 1 4.330 0.001 . . . . . A 10 LEU HA . 17888 1 75 . 1 1 10 10 LEU HB2 H 1 1.605 0.002 . . . . . A 10 LEU HB2 . 17888 1 76 . 1 1 10 10 LEU HB3 H 1 1.651 0.000 . . . . . A 10 LEU HB3 . 17888 1 77 . 1 1 10 10 LEU HD11 H 1 0.921 0.002 . . . . . A 10 LEU HD11 . 17888 1 78 . 1 1 10 10 LEU HD12 H 1 0.921 0.002 . . . . . A 10 LEU HD12 . 17888 1 79 . 1 1 10 10 LEU HD13 H 1 0.921 0.002 . . . . . A 10 LEU HD13 . 17888 1 80 . 1 1 10 10 LEU HD21 H 1 0.859 0.001 . . . . . A 10 LEU HD21 . 17888 1 81 . 1 1 10 10 LEU HD22 H 1 0.859 0.001 . . . . . A 10 LEU HD22 . 17888 1 82 . 1 1 10 10 LEU HD23 H 1 0.859 0.001 . . . . . A 10 LEU HD23 . 17888 1 83 . 1 1 11 11 ARG H H 1 8.324 0.004 . . . . . A 11 ARG H . 17888 1 84 . 1 1 11 11 ARG HA H 1 4.426 0.003 . . . . . A 11 ARG HA . 17888 1 85 . 1 1 11 11 ARG HB2 H 1 1.914 0.001 . . . . . A 11 ARG HB2 . 17888 1 86 . 1 1 11 11 ARG HB3 H 1 1.811 0.004 . . . . . A 11 ARG HB3 . 17888 1 87 . 1 1 11 11 ARG HG2 H 1 1.672 0.005 . . . . . A 11 ARG HG2 . 17888 1 88 . 1 1 11 11 ARG HG3 H 1 1.614 0.004 . . . . . A 11 ARG HG3 . 17888 1 89 . 1 1 11 11 ARG HD2 H 1 3.204 0.001 . . . . . A 11 ARG HD2 . 17888 1 90 . 1 1 11 11 ARG HD3 H 1 3.204 0.001 . . . . . A 11 ARG HD3 . 17888 1 91 . 1 1 11 11 ARG HE H 1 7.491 0.001 . . . . . A 11 ARG HE . 17888 1 92 . 1 1 12 12 THR H H 1 8.243 0.003 . . . . . A 12 THR H . 17888 1 93 . 1 1 12 12 THR HA H 1 4.357 0.002 . . . . . A 12 THR HA . 17888 1 94 . 1 1 12 12 THR HB H 1 4.277 0.002 . . . . . A 12 THR HB . 17888 1 95 . 1 1 12 12 THR HG21 H 1 1.187 0.002 . . . . . A 12 THR HG21 . 17888 1 96 . 1 1 12 12 THR HG22 H 1 1.187 0.002 . . . . . A 12 THR HG22 . 17888 1 97 . 1 1 12 12 THR HG23 H 1 1.187 0.002 . . . . . A 12 THR HG23 . 17888 1 98 . 1 1 13 13 ASP H H 1 8.472 0.004 . . . . . A 13 ASP H . 17888 1 99 . 1 1 13 13 ASP HA H 1 4.649 0.001 . . . . . A 13 ASP HA . 17888 1 100 . 1 1 13 13 ASP HB2 H 1 2.700 0.001 . . . . . A 13 ASP HB2 . 17888 1 101 . 1 1 13 13 ASP HB3 H 1 2.655 0.001 . . . . . A 13 ASP HB3 . 17888 1 102 . 1 1 14 14 ILE H H 1 7.967 0.003 . . . . . A 14 ILE H . 17888 1 103 . 1 1 14 14 ILE HA H 1 4.248 0.002 . . . . . A 14 ILE HA . 17888 1 104 . 1 1 14 14 ILE HB H 1 1.909 0.001 . . . . . A 14 ILE HB . 17888 1 105 . 1 1 14 14 ILE HG12 H 1 1.424 0.002 . . . . . A 14 ILE HG12 . 17888 1 106 . 1 1 14 14 ILE HG13 H 1 1.424 0.002 . . . . . A 14 ILE HG13 . 17888 1 107 . 1 1 14 14 ILE HG21 H 1 1.194 0.000 . . . . . A 14 ILE HG21 . 17888 1 108 . 1 1 14 14 ILE HG22 H 1 1.194 0.000 . . . . . A 14 ILE HG22 . 17888 1 109 . 1 1 14 14 ILE HG23 H 1 1.194 0.000 . . . . . A 14 ILE HG23 . 17888 1 110 . 1 1 14 14 ILE HD11 H 1 0.903 0.003 . . . . . A 14 ILE HD11 . 17888 1 111 . 1 1 14 14 ILE HD12 H 1 0.903 0.003 . . . . . A 14 ILE HD12 . 17888 1 112 . 1 1 14 14 ILE HD13 H 1 0.903 0.003 . . . . . A 14 ILE HD13 . 17888 1 113 . 1 1 15 15 SER H H 1 8.436 0.006 . . . . . A 15 SER H . 17888 1 114 . 1 1 15 15 SER HA H 1 4.540 0.003 . . . . . A 15 SER HA . 17888 1 115 . 1 1 16 16 THR H H 1 8.218 0.003 . . . . . A 16 THR H . 17888 1 116 . 1 1 16 16 THR HA H 1 4.467 0.002 . . . . . A 16 THR HA . 17888 1 117 . 1 1 16 16 THR HB H 1 4.346 0.002 . . . . . A 16 THR HB . 17888 1 118 . 1 1 16 16 THR HG21 H 1 1.208 0.002 . . . . . A 16 THR HG21 . 17888 1 119 . 1 1 16 16 THR HG22 H 1 1.208 0.002 . . . . . A 16 THR HG22 . 17888 1 120 . 1 1 16 16 THR HG23 H 1 1.208 0.002 . . . . . A 16 THR HG23 . 17888 1 121 . 1 1 17 17 SER H H 1 8.385 0.004 . . . . . A 17 SER H . 17888 1 122 . 1 1 17 17 SER HA H 1 4.468 0.002 . . . . . A 17 SER HA . 17888 1 123 . 1 1 17 17 SER HB2 H 1 3.958 0.004 . . . . . A 17 SER HB2 . 17888 1 124 . 1 1 17 17 SER HB3 H 1 3.885 0.004 . . . . . A 17 SER HB3 . 17888 1 125 . 1 1 18 18 SEP H H 1 9.079 0.002 . . . . . A 18 SEP HN . 17888 1 126 . 1 1 18 18 SEP HA H 1 4.506 0.001 . . . . . A 18 SEP HA . 17888 1 127 . 1 1 18 18 SEP HB2 H 1 4.076 0.003 . . . . . A 18 SEP HB2 . 17888 1 128 . 1 1 18 18 SEP HB3 H 1 4.132 0.002 . . . . . A 18 SEP HB3 . 17888 1 129 . 1 1 19 19 SER H H 1 8.331 0.002 . . . . . A 19 SER H . 17888 1 130 . 1 1 19 19 SER HA H 1 4.512 0.002 . . . . . A 19 SER HA . 17888 1 131 . 1 1 19 19 SER HB2 H 1 3.922 0.000 . . . . . A 19 SER HB2 . 17888 1 132 . 1 1 19 19 SER HB3 H 1 3.922 0.000 . . . . . A 19 SER HB3 . 17888 1 133 . 1 1 20 20 SER H H 1 8.186 0.009 . . . . . A 20 SER H . 17888 1 134 . 1 1 20 20 SER HA H 1 4.469 0.002 . . . . . A 20 SER HA . 17888 1 135 . 1 1 20 20 SER HB2 H 1 3.889 0.002 . . . . . A 20 SER HB2 . 17888 1 136 . 1 1 20 20 SER HB3 H 1 3.889 0.002 . . . . . A 20 SER HB3 . 17888 1 137 . 1 1 21 21 ILE H H 1 8.081 0.004 . . . . . A 21 ILE H . 17888 1 138 . 1 1 21 21 ILE HA H 1 4.244 0.001 . . . . . A 21 ILE HA . 17888 1 139 . 1 1 21 21 ILE HB H 1 1.894 0.004 . . . . . A 21 ILE HB . 17888 1 140 . 1 1 21 21 ILE HG12 H 1 1.466 0.005 . . . . . A 21 ILE HG12 . 17888 1 141 . 1 1 21 21 ILE HG13 H 1 1.466 0.005 . . . . . A 21 ILE HG13 . 17888 1 142 . 1 1 21 21 ILE HG21 H 1 1.221 0.000 . . . . . A 21 ILE HG21 . 17888 1 143 . 1 1 21 21 ILE HG22 H 1 1.221 0.000 . . . . . A 21 ILE HG22 . 17888 1 144 . 1 1 21 21 ILE HG23 H 1 1.221 0.000 . . . . . A 21 ILE HG23 . 17888 1 145 . 1 1 21 21 ILE HD11 H 1 0.915 0.000 . . . . . A 21 ILE HD11 . 17888 1 146 . 1 1 21 21 ILE HD12 H 1 0.915 0.000 . . . . . A 21 ILE HD12 . 17888 1 147 . 1 1 21 21 ILE HD13 H 1 0.915 0.000 . . . . . A 21 ILE HD13 . 17888 1 148 . 1 1 22 22 SER H H 1 8.392 0.004 . . . . . A 22 SER H . 17888 1 149 . 1 1 22 22 SER HA H 1 4.521 0.000 . . . . . A 22 SER HA . 17888 1 150 . 1 1 23 23 SER H H 1 8.413 0.002 . . . . . A 23 SER H . 17888 1 151 . 1 1 23 23 SER HA H 1 4.528 0.001 . . . . . A 23 SER HA . 17888 1 152 . 1 1 26 26 GLU H H 1 8.336 0.003 . . . . . A 26 GLU H . 17888 1 153 . 1 1 26 26 GLU HA H 1 4.234 0.002 . . . . . A 26 GLU HA . 17888 1 154 . 1 1 26 26 GLU HB2 H 1 2.047 0.004 . . . . . A 26 GLU HB2 . 17888 1 155 . 1 1 26 26 GLU HB3 H 1 1.926 0.002 . . . . . A 26 GLU HB3 . 17888 1 156 . 1 1 26 26 GLU HG2 H 1 2.243 0.002 . . . . . A 26 GLU HG2 . 17888 1 157 . 1 1 26 26 GLU HG3 H 1 2.243 0.002 . . . . . A 26 GLU HG3 . 17888 1 158 . 1 1 27 27 ASN H H 1 8.308 0.004 . . . . . A 27 ASN H . 17888 1 159 . 1 1 27 27 ASN HA H 1 4.665 0.002 . . . . . A 27 ASN HA . 17888 1 160 . 1 1 27 27 ASN HB2 H 1 2.728 0.001 . . . . . A 27 ASN HB2 . 17888 1 161 . 1 1 27 27 ASN HB3 H 1 2.696 0.000 . . . . . A 27 ASN HB3 . 17888 1 162 . 1 1 27 27 ASN HD21 H 1 7.561 0.001 . . . . . A 27 ASN HD21 . 17888 1 163 . 1 1 27 27 ASN HD22 H 1 6.898 0.002 . . . . . A 27 ASN HD22 . 17888 1 164 . 1 1 28 28 ASP H H 1 8.271 0.002 . . . . . A 28 ASP H . 17888 1 165 . 1 1 28 28 ASP HA H 1 4.516 0.002 . . . . . A 28 ASP HA . 17888 1 166 . 1 1 28 28 ASP HB2 H 1 2.542 0.002 . . . . . A 28 ASP HB2 . 17888 1 167 . 1 1 28 28 ASP HB3 H 1 2.542 0.002 . . . . . A 28 ASP HB3 . 17888 1 168 . 1 1 29 29 PHE H H 1 8.020 0.002 . . . . . A 29 PHE H . 17888 1 169 . 1 1 29 29 PHE HA H 1 4.491 0.002 . . . . . A 29 PHE HA . 17888 1 170 . 1 1 29 29 PHE HB2 H 1 2.978 0.001 . . . . . A 29 PHE HB2 . 17888 1 171 . 1 1 29 29 PHE HB3 H 1 2.978 0.001 . . . . . A 29 PHE HB3 . 17888 1 172 . 1 1 29 29 PHE HD1 H 1 7.066 0.001 . . . . . A 29 PHE HD1 . 17888 1 173 . 1 1 29 29 PHE HD2 H 1 7.066 0.001 . . . . . A 29 PHE HD2 . 17888 1 174 . 1 1 29 29 PHE HE1 H 1 7.265 0.001 . . . . . A 29 PHE HE1 . 17888 1 175 . 1 1 29 29 PHE HE2 H 1 7.265 0.001 . . . . . A 29 PHE HE2 . 17888 1 176 . 1 1 30 30 TRP H H 1 7.926 0.002 . . . . . A 30 TRP H . 17888 1 177 . 1 1 30 30 TRP HA H 1 4.538 0.002 . . . . . A 30 TRP HA . 17888 1 178 . 1 1 30 30 TRP HB2 H 1 3.224 0.003 . . . . . A 30 TRP HB2 . 17888 1 179 . 1 1 30 30 TRP HB3 H 1 3.224 0.003 . . . . . A 30 TRP HB3 . 17888 1 180 . 1 1 30 30 TRP HD1 H 1 7.240 0.001 . . . . . A 30 TRP HD1 . 17888 1 181 . 1 1 30 30 TRP HE1 H 1 10.136 0.002 . . . . . A 30 TRP HE1 . 17888 1 182 . 1 1 30 30 TRP HE3 H 1 7.554 0.001 . . . . . A 30 TRP HE3 . 17888 1 183 . 1 1 30 30 TRP HZ2 H 1 7.489 0.001 . . . . . A 30 TRP HZ2 . 17888 1 184 . 1 1 30 30 TRP HZ3 H 1 7.140 0.001 . . . . . A 30 TRP HZ3 . 17888 1 185 . 1 1 30 30 TRP HH2 H 1 7.238 0.002 . . . . . A 30 TRP HH2 . 17888 1 186 . 1 1 31 31 GLN H H 1 7.695 0.002 . . . . . A 31 GLN H . 17888 1 187 . 1 1 31 31 GLN HA H 1 4.421 0.002 . . . . . A 31 GLN HA . 17888 1 188 . 1 1 31 31 GLN HB2 H 1 2.183 0.003 . . . . . A 31 GLN HB2 . 17888 1 189 . 1 1 31 31 GLN HB3 H 1 2.183 0.003 . . . . . A 31 GLN HB3 . 17888 1 190 . 1 1 31 31 GLN HG2 H 1 1.922 0.004 . . . . . A 31 GLN HG2 . 17888 1 191 . 1 1 31 31 GLN HG3 H 1 1.744 0.004 . . . . . A 31 GLN HG3 . 17888 1 192 . 1 1 31 31 GLN HE21 H 1 7.456 0.002 . . . . . A 31 GLN HE21 . 17888 1 193 . 1 1 31 31 GLN HE22 H 1 6.834 0.001 . . . . . A 31 GLN HE22 . 17888 1 194 . 1 1 32 32 PRO HA H 1 4.225 0.000 . . . . . A 32 PRO HA . 17888 1 195 . 1 1 32 32 PRO HB2 H 1 2.240 0.002 . . . . . A 32 PRO HB2 . 17888 1 196 . 1 1 32 32 PRO HB3 H 1 2.240 0.002 . . . . . A 32 PRO HB3 . 17888 1 197 . 1 1 32 32 PRO HG2 H 1 1.941 0.002 . . . . . A 32 PRO HG2 . 17888 1 198 . 1 1 32 32 PRO HG3 H 1 1.835 0.002 . . . . . A 32 PRO HG3 . 17888 1 199 . 1 1 32 32 PRO HD2 H 1 3.521 0.003 . . . . . A 32 PRO HD2 . 17888 1 200 . 1 1 32 32 PRO HD3 H 1 3.468 0.005 . . . . . A 32 PRO HD3 . 17888 1 201 . 1 1 33 33 LYS H H 1 8.348 0.005 . . . . . A 33 LYS H . 17888 1 202 . 1 1 33 33 LYS HA H 1 4.570 0.002 . . . . . A 33 LYS HA . 17888 1 203 . 1 1 33 33 LYS HB2 H 1 1.825 0.003 . . . . . A 33 LYS HB2 . 17888 1 204 . 1 1 33 33 LYS HB3 H 1 1.825 0.003 . . . . . A 33 LYS HB3 . 17888 1 205 . 1 1 33 33 LYS HG2 H 1 1.507 0.000 . . . . . A 33 LYS HG2 . 17888 1 206 . 1 1 33 33 LYS HG3 H 1 1.482 0.000 . . . . . A 33 LYS HG3 . 17888 1 207 . 1 1 33 33 LYS HD2 H 1 1.718 0.008 . . . . . A 33 LYS HD2 . 17888 1 208 . 1 1 33 33 LYS HD3 H 1 1.718 0.008 . . . . . A 33 LYS HD3 . 17888 1 209 . 1 1 33 33 LYS HE2 H 1 2.995 0.000 . . . . . A 33 LYS HE2 . 17888 1 210 . 1 1 33 33 LYS HE3 H 1 2.995 0.000 . . . . . A 33 LYS HE3 . 17888 1 211 . 1 1 34 34 PRO HA H 1 4.477 0.002 . . . . . A 34 PRO HA . 17888 1 212 . 1 1 34 34 PRO HB2 H 1 2.303 0.003 . . . . . A 34 PRO HB2 . 17888 1 213 . 1 1 34 34 PRO HB3 H 1 2.303 0.003 . . . . . A 34 PRO HB3 . 17888 1 214 . 1 1 34 34 PRO HG2 H 1 2.041 0.005 . . . . . A 34 PRO HG2 . 17888 1 215 . 1 1 34 34 PRO HG3 H 1 1.991 0.005 . . . . . A 34 PRO HG3 . 17888 1 216 . 1 1 34 34 PRO HD2 H 1 3.807 0.002 . . . . . A 34 PRO HD2 . 17888 1 217 . 1 1 34 34 PRO HD3 H 1 3.652 0.002 . . . . . A 34 PRO HD3 . 17888 1 218 . 1 1 35 35 THR H H 1 7.823 0.003 . . . . . A 35 THR H . 17888 1 219 . 1 1 35 35 THR HA H 1 4.232 0.003 . . . . . A 35 THR HA . 17888 1 220 . 1 1 35 35 THR HB H 1 4.123 0.002 . . . . . A 35 THR HB . 17888 1 221 . 1 1 35 35 THR HG21 H 1 1.189 0.001 . . . . . A 35 THR HG21 . 17888 1 222 . 1 1 35 35 THR HG22 H 1 1.189 0.001 . . . . . A 35 THR HG22 . 17888 1 223 . 1 1 35 35 THR HG23 H 1 1.189 0.001 . . . . . A 35 THR HG23 . 17888 1 stop_ save_