################################### # 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_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 31051 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _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 $chem_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' . . . 31051 1 2 '2D 1H-1H COSY' . . . 31051 1 3 '2D 1H-1H NOESY' . . . 31051 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_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.Ambiguity_set_ID _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 ACE H1 H 1 2.092 0.000 . 1 . . . . A 0 ACE H1 . 31051 1 2 . 1 . 1 2 2 PRO HA H 1 3.546 0.001 . 1 . . . . A 1 PRO HA . 31051 1 3 . 1 . 1 2 2 PRO HB2 H 1 1.930 0.000 . 2 . . . . A 1 PRO HB2 . 31051 1 4 . 1 . 1 2 2 PRO HB3 H 1 1.710 0.002 . 2 . . . . A 1 PRO HB3 . 31051 1 5 . 1 . 1 2 2 PRO HG2 H 1 1.932 0.000 . 2 . . . . A 1 PRO HG2 . 31051 1 6 . 1 . 1 2 2 PRO HG3 H 1 1.872 0.000 . 2 . . . . A 1 PRO HG3 . 31051 1 7 . 1 . 1 2 2 PRO HD2 H 1 3.569 0.001 . 2 . . . . A 1 PRO HD2 . 31051 1 8 . 1 . 1 2 2 PRO HD3 H 1 3.509 0.000 . 2 . . . . A 1 PRO HD3 . 31051 1 9 . 1 . 1 3 3 PRO HA H 1 4.417 0.000 . 1 . . . . A 2 PRO HA . 31051 1 10 . 1 . 1 3 3 PRO HB2 H 1 2.326 0.001 . 2 . . . . A 2 PRO HB2 . 31051 1 11 . 1 . 1 3 3 PRO HB3 H 1 1.982 0.003 . 2 . . . . A 2 PRO HB3 . 31051 1 12 . 1 . 1 3 3 PRO HG2 H 1 1.758 0.001 . 2 . . . . A 2 PRO HG2 . 31051 1 13 . 1 . 1 3 3 PRO HG3 H 1 1.691 0.002 . 2 . . . . A 2 PRO HG3 . 31051 1 14 . 1 . 1 3 3 PRO HD2 H 1 3.244 0.002 . 2 . . . . A 2 PRO HD2 . 31051 1 15 . 1 . 1 3 3 PRO HD3 H 1 3.153 0.002 . 2 . . . . A 2 PRO HD3 . 31051 1 16 . 1 . 1 4 4 LYS H H 1 8.728 0.000 . 1 . . . . A 3 LYS H . 31051 1 17 . 1 . 1 4 4 LYS HA H 1 4.323 0.002 . 1 . . . . A 3 LYS HA . 31051 1 18 . 1 . 1 4 4 LYS HB2 H 1 1.681 0.001 . 1 . . . . A 3 LYS HB2 . 31051 1 19 . 1 . 1 4 4 LYS HB3 H 1 1.681 0.001 . 1 . . . . A 3 LYS HB3 . 31051 1 20 . 1 . 1 4 4 LYS HG2 H 1 1.441 0.000 . 2 . . . . A 3 LYS HG2 . 31051 1 21 . 1 . 1 4 4 LYS HG3 H 1 1.343 0.001 . 2 . . . . A 3 LYS HG3 . 31051 1 22 . 1 . 1 4 4 LYS HD2 H 1 1.662 0.000 . 1 . . . . A 3 LYS HD2 . 31051 1 23 . 1 . 1 4 4 LYS HD3 H 1 1.662 0.000 . 1 . . . . A 3 LYS HD3 . 31051 1 24 . 1 . 1 4 4 LYS HE2 H 1 2.982 0.000 . 1 . . . . A 3 LYS HE2 . 31051 1 25 . 1 . 1 4 4 LYS HE3 H 1 2.982 0.000 . 1 . . . . A 3 LYS HE3 . 31051 1 26 . 1 . 1 5 5 LYS H H 1 8.632 0.000 . 1 . . . . A 4 LYS H . 31051 1 27 . 1 . 1 5 5 LYS HA H 1 3.133 0.001 . 1 . . . . A 4 LYS HA . 31051 1 28 . 1 . 1 5 5 LYS HB2 H 1 1.496 0.000 . 2 . . . . A 4 LYS HB2 . 31051 1 29 . 1 . 1 5 5 LYS HB3 H 1 1.285 0.002 . 2 . . . . A 4 LYS HB3 . 31051 1 30 . 1 . 1 5 5 LYS HG2 H 1 1.248 0.001 . 2 . . . . A 4 LYS HG2 . 31051 1 31 . 1 . 1 5 5 LYS HG3 H 1 0.687 0.002 . 2 . . . . A 4 LYS HG3 . 31051 1 32 . 1 . 1 5 5 LYS HD2 H 1 1.553 0.003 . 1 . . . . A 4 LYS HD2 . 31051 1 33 . 1 . 1 5 5 LYS HD3 H 1 1.553 0.003 . 1 . . . . A 4 LYS HD3 . 31051 1 34 . 1 . 1 5 5 LYS HE2 H 1 2.929 0.002 . 1 . . . . A 4 LYS HE2 . 31051 1 35 . 1 . 1 5 5 LYS HE3 H 1 2.929 0.002 . 1 . . . . A 4 LYS HE3 . 31051 1 36 . 1 . 1 6 6 PRO HA H 1 4.413 0.000 . 1 . . . . A 5 PRO HA . 31051 1 37 . 1 . 1 6 6 PRO HB2 H 1 2.390 0.001 . 2 . . . . A 5 PRO HB2 . 31051 1 38 . 1 . 1 6 6 PRO HB3 H 1 1.895 0.002 . 2 . . . . A 5 PRO HB3 . 31051 1 39 . 1 . 1 6 6 PRO HG2 H 1 1.713 0.000 . 2 . . . . A 5 PRO HG2 . 31051 1 40 . 1 . 1 6 6 PRO HG3 H 1 1.678 0.000 . 2 . . . . A 5 PRO HG3 . 31051 1 41 . 1 . 1 6 6 PRO HD2 H 1 3.479 0.003 . 2 . . . . A 5 PRO HD2 . 31051 1 42 . 1 . 1 6 6 PRO HD3 H 1 3.026 0.001 . 2 . . . . A 5 PRO HD3 . 31051 1 43 . 1 . 1 7 7 LYS H H 1 8.757 0.001 . 1 . . . . A 6 LYS H . 31051 1 44 . 1 . 1 7 7 LYS HA H 1 4.271 0.000 . 1 . . . . A 6 LYS HA . 31051 1 45 . 1 . 1 7 7 LYS HB2 H 1 1.680 0.001 . 1 . . . . A 6 LYS HB2 . 31051 1 46 . 1 . 1 7 7 LYS HB3 H 1 1.680 0.001 . 1 . . . . A 6 LYS HB3 . 31051 1 47 . 1 . 1 7 7 LYS HG2 H 1 1.431 0.000 . 2 . . . . A 6 LYS HG2 . 31051 1 48 . 1 . 1 7 7 LYS HG3 H 1 1.361 0.000 . 2 . . . . A 6 LYS HG3 . 31051 1 49 . 1 . 1 7 7 LYS HD2 H 1 1.657 0.000 . 1 . . . . A 6 LYS HD2 . 31051 1 50 . 1 . 1 7 7 LYS HD3 H 1 1.657 0.000 . 1 . . . . A 6 LYS HD3 . 31051 1 51 . 1 . 1 7 7 LYS HE2 H 1 2.976 0.000 . 1 . . . . A 6 LYS HE2 . 31051 1 52 . 1 . 1 7 7 LYS HE3 H 1 2.976 0.000 . 1 . . . . A 6 LYS HE3 . 31051 1 53 . 1 . 1 8 8 LYS H H 1 8.611 0.000 . 1 . . . . A 7 LYS H . 31051 1 54 . 1 . 1 8 8 LYS HA H 1 3.354 0.002 . 1 . . . . A 7 LYS HA . 31051 1 55 . 1 . 1 8 8 LYS HB2 H 1 1.506 0.002 . 2 . . . . A 7 LYS HB2 . 31051 1 56 . 1 . 1 8 8 LYS HB3 H 1 1.394 0.001 . 2 . . . . A 7 LYS HB3 . 31051 1 57 . 1 . 1 8 8 LYS HG2 H 1 1.120 0.001 . 2 . . . . A 7 LYS HG2 . 31051 1 58 . 1 . 1 8 8 LYS HG3 H 1 0.836 0.002 . 2 . . . . A 7 LYS HG3 . 31051 1 59 . 1 . 1 8 8 LYS HD2 H 1 1.525 0.000 . 1 . . . . A 7 LYS HD2 . 31051 1 60 . 1 . 1 8 8 LYS HD3 H 1 1.525 0.000 . 1 . . . . A 7 LYS HD3 . 31051 1 61 . 1 . 1 8 8 LYS HE2 H 1 2.889 0.001 . 1 . . . . A 7 LYS HE2 . 31051 1 62 . 1 . 1 8 8 LYS HE3 H 1 2.889 0.001 . 1 . . . . A 7 LYS HE3 . 31051 1 63 . 1 . 1 9 9 PRO HA H 1 4.319 0.001 . 1 . . . . A 8 PRO HA . 31051 1 64 . 1 . 1 9 9 PRO HB2 H 1 2.248 0.001 . 2 . . . . A 8 PRO HB2 . 31051 1 65 . 1 . 1 9 9 PRO HB3 H 1 1.817 0.000 . 2 . . . . A 8 PRO HB3 . 31051 1 66 . 1 . 1 9 9 PRO HG2 H 1 1.816 0.000 . 2 . . . . A 8 PRO HG2 . 31051 1 67 . 1 . 1 9 9 PRO HG3 H 1 1.779 0.001 . 2 . . . . A 8 PRO HG3 . 31051 1 68 . 1 . 1 9 9 PRO HD2 H 1 3.357 0.002 . 2 . . . . A 8 PRO HD2 . 31051 1 69 . 1 . 1 9 9 PRO HD3 H 1 2.949 0.000 . 2 . . . . A 8 PRO HD3 . 31051 1 70 . 1 . 1 10 10 GLY H H 1 8.372 0.001 . 1 . . . . A 9 GLY H . 31051 1 71 . 1 . 1 10 10 GLY HA2 H 1 4.050 0.001 . 2 . . . . A 9 GLY HA2 . 31051 1 72 . 1 . 1 10 10 GLY HA3 H 1 3.662 0.000 . 2 . . . . A 9 GLY HA3 . 31051 1 73 . 1 . 1 11 11 ORN HA H 1 3.687 0.002 . 1 . . . . A 10 ORN HA . 31051 1 74 . 1 . 1 11 11 ORN HB2 H 1 1.752 0.000 . 1 . . . . A 10 ORN QB . 31051 1 75 . 1 . 1 11 11 ORN HB3 H 1 1.752 0.000 . 1 . . . . A 10 ORN QB . 31051 1 76 . 1 . 1 11 11 ORN HG2 H 1 1.507 0.002 . 2 . . . . A 10 ORN HG2 . 31051 1 77 . 1 . 1 11 11 ORN HG3 H 1 1.552 0.002 . 2 . . . . A 10 ORN HG3 . 31051 1 78 . 1 . 1 11 11 ORN HD2 H 1 3.040 0.000 . 2 . . . . A 10 ORN HD2 . 31051 1 79 . 1 . 1 11 11 ORN HD3 H 1 3.304 0.001 . 2 . . . . A 10 ORN HD3 . 31051 1 80 . 1 . 1 11 11 ORN HE1 H 1 8.087 0.000 . 1 . . . . A 10 ORN HE1 . 31051 1 81 . 1 . 1 12 12 ALA HA H 1 4.383 0.000 . 1 . . . . A 11 ALA HA . 31051 1 82 . 1 . 1 12 12 ALA HB1 H 1 1.323 0.000 . 1 . . . . A 11 ALA HB1 . 31051 1 83 . 1 . 1 12 12 ALA HB2 H 1 1.323 0.000 . 1 . . . . A 11 ALA HB2 . 31051 1 84 . 1 . 1 12 12 ALA HB3 H 1 1.323 0.000 . 1 . . . . A 11 ALA HB3 . 31051 1 85 . 1 . 1 13 13 THR H H 1 7.757 0.000 . 1 . . . . A 12 THR H . 31051 1 86 . 1 . 1 13 13 THR HA H 1 4.675 0.000 . 1 . . . . A 12 THR HA . 31051 1 87 . 1 . 1 13 13 THR HB H 1 4.760 0.000 . 1 . . . . A 12 THR HB . 31051 1 88 . 1 . 1 13 13 THR HG21 H 1 1.396 0.000 . 1 . . . . A 12 THR HG21 . 31051 1 89 . 1 . 1 13 13 THR HG22 H 1 1.396 0.000 . 1 . . . . A 12 THR HG22 . 31051 1 90 . 1 . 1 13 13 THR HG23 H 1 1.396 0.000 . 1 . . . . A 12 THR HG23 . 31051 1 91 . 1 . 1 14 14 PRO HA H 1 4.274 0.001 . 1 . . . . A 13 PRO HA . 31051 1 92 . 1 . 1 14 14 PRO HB2 H 1 2.421 0.001 . 2 . . . . A 13 PRO HB2 . 31051 1 93 . 1 . 1 14 14 PRO HB3 H 1 1.977 0.002 . 2 . . . . A 13 PRO HB3 . 31051 1 94 . 1 . 1 14 14 PRO HG2 H 1 2.252 0.000 . 2 . . . . A 13 PRO HG2 . 31051 1 95 . 1 . 1 14 14 PRO HG3 H 1 2.073 0.001 . 2 . . . . A 13 PRO HG3 . 31051 1 96 . 1 . 1 14 14 PRO HD2 H 1 3.950 0.002 . 1 . . . . A 13 PRO HD2 . 31051 1 97 . 1 . 1 14 14 PRO HD3 H 1 3.950 0.002 . 1 . . . . A 13 PRO HD3 . 31051 1 98 . 1 . 1 15 15 GLU H H 1 9.149 0.000 . 1 . . . . A 14 GLU H . 31051 1 99 . 1 . 1 15 15 GLU HA H 1 4.159 0.002 . 1 . . . . A 14 GLU HA . 31051 1 100 . 1 . 1 15 15 GLU HB2 H 1 2.125 0.000 . 2 . . . . A 14 GLU HB2 . 31051 1 101 . 1 . 1 15 15 GLU HB3 H 1 1.992 0.000 . 2 . . . . A 14 GLU HB3 . 31051 1 102 . 1 . 1 15 15 GLU HG2 H 1 2.439 0.000 . 2 . . . . A 14 GLU HG2 . 31051 1 103 . 1 . 1 15 15 GLU HG3 H 1 2.333 0.000 . 2 . . . . A 14 GLU HG3 . 31051 1 104 . 1 . 1 16 16 LYS H H 1 7.944 0.001 . 1 . . . . A 15 LYS H . 31051 1 105 . 1 . 1 16 16 LYS HA H 1 4.234 0.001 . 1 . . . . A 15 LYS HA . 31051 1 106 . 1 . 1 16 16 LYS HB2 H 1 2.032 0.000 . 2 . . . . A 15 LYS HB2 . 31051 1 107 . 1 . 1 16 16 LYS HB3 H 1 1.806 0.001 . 2 . . . . A 15 LYS HB3 . 31051 1 108 . 1 . 1 16 16 LYS HG2 H 1 1.596 0.001 . 2 . . . . A 15 LYS HG2 . 31051 1 109 . 1 . 1 16 16 LYS HG3 H 1 1.502 0.001 . 2 . . . . A 15 LYS HG3 . 31051 1 110 . 1 . 1 16 16 LYS HD2 H 1 1.760 0.002 . 1 . . . . A 15 LYS HD2 . 31051 1 111 . 1 . 1 16 16 LYS HD3 H 1 1.760 0.002 . 1 . . . . A 15 LYS HD3 . 31051 1 112 . 1 . 1 16 16 LYS HE2 H 1 3.019 0.003 . 1 . . . . A 15 LYS HE2 . 31051 1 113 . 1 . 1 16 16 LYS HE3 H 1 3.019 0.003 . 1 . . . . A 15 LYS HE3 . 31051 1 114 . 1 . 1 17 17 LEU H H 1 8.453 0.000 . 1 . . . . A 16 LEU H . 31051 1 115 . 1 . 1 17 17 LEU HA H 1 4.203 0.001 . 1 . . . . A 16 LEU HA . 31051 1 116 . 1 . 1 17 17 LEU HB2 H 1 1.842 0.001 . 2 . . . . A 16 LEU HB2 . 31051 1 117 . 1 . 1 17 17 LEU HB3 H 1 1.732 0.002 . 2 . . . . A 16 LEU HB3 . 31051 1 118 . 1 . 1 17 17 LEU HG H 1 1.676 0.002 . 1 . . . . A 16 LEU HG . 31051 1 119 . 1 . 1 17 17 LEU HD11 H 1 0.857 0.001 . 2 . . . . A 16 LEU HD11 . 31051 1 120 . 1 . 1 17 17 LEU HD12 H 1 0.857 0.001 . 2 . . . . A 16 LEU HD12 . 31051 1 121 . 1 . 1 17 17 LEU HD13 H 1 0.857 0.001 . 2 . . . . A 16 LEU HD13 . 31051 1 122 . 1 . 1 17 17 LEU HD21 H 1 0.907 0.001 . 2 . . . . A 16 LEU HD21 . 31051 1 123 . 1 . 1 17 17 LEU HD22 H 1 0.907 0.001 . 2 . . . . A 16 LEU HD22 . 31051 1 124 . 1 . 1 17 17 LEU HD23 H 1 0.907 0.001 . 2 . . . . A 16 LEU HD23 . 31051 1 125 . 1 . 1 18 18 ALA H H 1 8.398 0.000 . 1 . . . . A 17 ALA H . 31051 1 126 . 1 . 1 18 18 ALA HA H 1 4.260 0.000 . 1 . . . . A 17 ALA HA . 31051 1 127 . 1 . 1 18 18 ALA HB1 H 1 1.517 0.000 . 1 . . . . A 17 ALA HB1 . 31051 1 128 . 1 . 1 18 18 ALA HB2 H 1 1.517 0.000 . 1 . . . . A 17 ALA HB2 . 31051 1 129 . 1 . 1 18 18 ALA HB3 H 1 1.517 0.000 . 1 . . . . A 17 ALA HB3 . 31051 1 130 . 1 . 1 19 19 ALA H H 1 7.909 0.001 . 1 . . . . A 18 ALA H . 31051 1 131 . 1 . 1 19 19 ALA HA H 1 4.226 0.001 . 1 . . . . A 18 ALA HA . 31051 1 132 . 1 . 1 19 19 ALA HB1 H 1 1.594 0.000 . 1 . . . . A 18 ALA HB1 . 31051 1 133 . 1 . 1 19 19 ALA HB2 H 1 1.594 0.000 . 1 . . . . A 18 ALA HB2 . 31051 1 134 . 1 . 1 19 19 ALA HB3 H 1 1.594 0.000 . 1 . . . . A 18 ALA HB3 . 31051 1 135 . 1 . 1 20 20 TYR H H 1 8.003 0.000 . 1 . . . . A 19 TYR H . 31051 1 136 . 1 . 1 20 20 TYR HA H 1 4.481 0.001 . 1 . . . . A 19 TYR HA . 31051 1 137 . 1 . 1 20 20 TYR HB2 H 1 3.238 0.000 . 2 . . . . A 19 TYR HB2 . 31051 1 138 . 1 . 1 20 20 TYR HB3 H 1 3.213 0.000 . 2 . . . . A 19 TYR HB3 . 31051 1 139 . 1 . 1 20 20 TYR HD1 H 1 7.161 0.001 . 1 . . . . A 19 TYR HD1 . 31051 1 140 . 1 . 1 20 20 TYR HD2 H 1 7.161 0.001 . 1 . . . . A 19 TYR HD2 . 31051 1 141 . 1 . 1 20 20 TYR HE1 H 1 6.562 0.000 . 1 . . . . A 19 TYR HE1 . 31051 1 142 . 1 . 1 20 20 TYR HE2 H 1 6.562 0.000 . 1 . . . . A 19 TYR HE2 . 31051 1 143 . 1 . 1 21 21 GLU H H 1 8.414 0.001 . 1 . . . . A 20 GLU H . 31051 1 144 . 1 . 1 21 21 GLU HA H 1 3.653 0.002 . 1 . . . . A 20 GLU HA . 31051 1 145 . 1 . 1 21 21 GLU HB2 H 1 2.152 0.000 . 2 . . . . A 20 GLU HB2 . 31051 1 146 . 1 . 1 21 21 GLU HB3 H 1 2.095 0.000 . 2 . . . . A 20 GLU HB3 . 31051 1 147 . 1 . 1 21 21 GLU HG2 H 1 2.570 0.000 . 2 . . . . A 20 GLU HG2 . 31051 1 148 . 1 . 1 21 21 GLU HG3 H 1 2.396 0.000 . 2 . . . . A 20 GLU HG3 . 31051 1 149 . 1 . 1 22 22 LYS H H 1 7.700 0.002 . 1 . . . . A 21 LYS H . 31051 1 150 . 1 . 1 22 22 LYS HA H 1 4.157 0.001 . 1 . . . . A 21 LYS HA . 31051 1 151 . 1 . 1 22 22 LYS HB2 H 1 1.994 0.000 . 1 . . . . A 21 LYS HB2 . 31051 1 152 . 1 . 1 22 22 LYS HB3 H 1 1.994 0.000 . 1 . . . . A 21 LYS HB3 . 31051 1 153 . 1 . 1 22 22 LYS HG2 H 1 1.637 0.000 . 2 . . . . A 21 LYS HG2 . 31051 1 154 . 1 . 1 22 22 LYS HG3 H 1 1.451 0.000 . 2 . . . . A 21 LYS HG3 . 31051 1 155 . 1 . 1 22 22 LYS HD2 H 1 1.718 0.001 . 1 . . . . A 21 LYS HD2 . 31051 1 156 . 1 . 1 22 22 LYS HD3 H 1 1.718 0.001 . 1 . . . . A 21 LYS HD3 . 31051 1 157 . 1 . 1 22 22 LYS HE2 H 1 2.995 0.000 . 1 . . . . A 21 LYS HE2 . 31051 1 158 . 1 . 1 22 22 LYS HE3 H 1 2.995 0.000 . 1 . . . . A 21 LYS HE3 . 31051 1 159 . 1 . 1 23 23 GLU H H 1 8.262 0.000 . 1 . . . . A 22 GLU H . 31051 1 160 . 1 . 1 23 23 GLU HA H 1 4.102 0.001 . 1 . . . . A 22 GLU HA . 31051 1 161 . 1 . 1 23 23 GLU HB2 H 1 2.221 0.002 . 2 . . . . A 22 GLU HB2 . 31051 1 162 . 1 . 1 23 23 GLU HB3 H 1 1.999 0.001 . 2 . . . . A 22 GLU HB3 . 31051 1 163 . 1 . 1 23 23 GLU HG2 H 1 2.550 0.001 . 2 . . . . A 22 GLU HG2 . 31051 1 164 . 1 . 1 23 23 GLU HG3 H 1 2.250 0.006 . 2 . . . . A 22 GLU HG3 . 31051 1 165 . 1 . 1 24 24 LEU H H 1 9.147 0.001 . 1 . . . . A 23 LEU H . 31051 1 166 . 1 . 1 24 24 LEU HA H 1 3.953 0.001 . 1 . . . . A 23 LEU HA . 31051 1 167 . 1 . 1 24 24 LEU HB2 H 1 1.589 0.000 . 2 . . . . A 23 LEU HB2 . 31051 1 168 . 1 . 1 24 24 LEU HB3 H 1 0.964 0.000 . 2 . . . . A 23 LEU HB3 . 31051 1 169 . 1 . 1 24 24 LEU HG H 1 1.466 0.004 . 1 . . . . A 23 LEU HG . 31051 1 170 . 1 . 1 24 24 LEU HD11 H 1 0.865 0.001 . 1 . . . . A 23 LEU HD11 . 31051 1 171 . 1 . 1 24 24 LEU HD12 H 1 0.865 0.001 . 1 . . . . A 23 LEU HD12 . 31051 1 172 . 1 . 1 24 24 LEU HD13 H 1 0.865 0.001 . 1 . . . . A 23 LEU HD13 . 31051 1 173 . 1 . 1 24 24 LEU HD21 H 1 0.865 0.001 . 1 . . . . A 23 LEU HD21 . 31051 1 174 . 1 . 1 24 24 LEU HD22 H 1 0.865 0.001 . 1 . . . . A 23 LEU HD22 . 31051 1 175 . 1 . 1 24 24 LEU HD23 H 1 0.865 0.001 . 1 . . . . A 23 LEU HD23 . 31051 1 176 . 1 . 1 25 25 ALA H H 1 7.838 0.002 . 1 . . . . A 24 ALA H . 31051 1 177 . 1 . 1 25 25 ALA HA H 1 4.217 0.002 . 1 . . . . A 24 ALA HA . 31051 1 178 . 1 . 1 25 25 ALA HB1 H 1 1.507 0.000 . 1 . . . . A 24 ALA HB1 . 31051 1 179 . 1 . 1 25 25 ALA HB2 H 1 1.507 0.000 . 1 . . . . A 24 ALA HB2 . 31051 1 180 . 1 . 1 25 25 ALA HB3 H 1 1.507 0.000 . 1 . . . . A 24 ALA HB3 . 31051 1 181 . 1 . 1 26 26 ALA H H 1 7.809 0.001 . 1 . . . . A 25 ALA H . 31051 1 182 . 1 . 1 26 26 ALA HA H 1 4.204 0.000 . 1 . . . . A 25 ALA HA . 31051 1 183 . 1 . 1 26 26 ALA HB1 H 1 1.558 0.001 . 1 . . . . A 25 ALA HB1 . 31051 1 184 . 1 . 1 26 26 ALA HB2 H 1 1.558 0.001 . 1 . . . . A 25 ALA HB2 . 31051 1 185 . 1 . 1 26 26 ALA HB3 H 1 1.558 0.001 . 1 . . . . A 25 ALA HB3 . 31051 1 186 . 1 . 1 27 27 TYR H H 1 8.283 0.001 . 1 . . . . A 26 TYR H . 31051 1 187 . 1 . 1 27 27 TYR HA H 1 4.380 0.000 . 1 . . . . A 26 TYR HA . 31051 1 188 . 1 . 1 27 27 TYR HB2 H 1 3.346 0.001 . 2 . . . . A 26 TYR HB2 . 31051 1 189 . 1 . 1 27 27 TYR HB3 H 1 3.241 0.000 . 2 . . . . A 26 TYR HB3 . 31051 1 190 . 1 . 1 27 27 TYR HD1 H 1 7.072 0.000 . 1 . . . . A 26 TYR HD1 . 31051 1 191 . 1 . 1 27 27 TYR HD2 H 1 7.072 0.000 . 1 . . . . A 26 TYR HD2 . 31051 1 192 . 1 . 1 27 27 TYR HE1 H 1 6.656 0.000 . 1 . . . . A 26 TYR HE1 . 31051 1 193 . 1 . 1 27 27 TYR HE2 H 1 6.656 0.000 . 1 . . . . A 26 TYR HE2 . 31051 1 194 . 1 . 1 28 28 GLU H H 1 8.640 0.003 . 1 . . . . A 27 GLU H . 31051 1 195 . 1 . 1 28 28 GLU HA H 1 3.595 0.002 . 1 . . . . A 27 GLU HA . 31051 1 196 . 1 . 1 28 28 GLU HB2 H 1 2.093 0.001 . 2 . . . . A 27 GLU HB2 . 31051 1 197 . 1 . 1 28 28 GLU HB3 H 1 2.020 0.000 . 2 . . . . A 27 GLU HB3 . 31051 1 198 . 1 . 1 28 28 GLU HG2 H 1 2.629 0.000 . 2 . . . . A 27 GLU HG2 . 31051 1 199 . 1 . 1 28 28 GLU HG3 H 1 2.376 0.000 . 2 . . . . A 27 GLU HG3 . 31051 1 200 . 1 . 1 29 29 LYS H H 1 7.665 0.002 . 1 . . . . A 28 LYS H . 31051 1 201 . 1 . 1 29 29 LYS HA H 1 4.099 0.001 . 1 . . . . A 28 LYS HA . 31051 1 202 . 1 . 1 29 29 LYS HB2 H 1 1.957 0.000 . 1 . . . . A 28 LYS HB2 . 31051 1 203 . 1 . 1 29 29 LYS HB3 H 1 1.957 0.000 . 1 . . . . A 28 LYS HB3 . 31051 1 204 . 1 . 1 29 29 LYS HG2 H 1 1.592 0.000 . 2 . . . . A 28 LYS HG2 . 31051 1 205 . 1 . 1 29 29 LYS HG3 H 1 1.407 0.000 . 2 . . . . A 28 LYS HG3 . 31051 1 206 . 1 . 1 29 29 LYS HD2 H 1 1.700 0.000 . 1 . . . . A 28 LYS HD2 . 31051 1 207 . 1 . 1 29 29 LYS HD3 H 1 1.700 0.000 . 1 . . . . A 28 LYS HD3 . 31051 1 208 . 1 . 1 29 29 LYS HE2 H 1 2.985 0.000 . 1 . . . . A 28 LYS HE2 . 31051 1 209 . 1 . 1 29 29 LYS HE3 H 1 2.985 0.000 . 1 . . . . A 28 LYS HE3 . 31051 1 210 . 1 . 1 30 30 GLU H H 1 8.221 0.001 . 1 . . . . A 29 GLU H . 31051 1 211 . 1 . 1 30 30 GLU HA H 1 4.064 0.001 . 1 . . . . A 29 GLU HA . 31051 1 212 . 1 . 1 30 30 GLU HB2 H 1 2.123 0.001 . 2 . . . . A 29 GLU HB2 . 31051 1 213 . 1 . 1 30 30 GLU HB3 H 1 1.999 0.001 . 2 . . . . A 29 GLU HB3 . 31051 1 214 . 1 . 1 30 30 GLU HG2 H 1 2.462 0.001 . 2 . . . . A 29 GLU HG2 . 31051 1 215 . 1 . 1 30 30 GLU HG3 H 1 2.248 0.001 . 2 . . . . A 29 GLU HG3 . 31051 1 216 . 1 . 1 31 31 LEU H H 1 8.961 0.001 . 1 . . . . A 30 LEU H . 31051 1 217 . 1 . 1 31 31 LEU HA H 1 3.841 0.001 . 1 . . . . A 30 LEU HA . 31051 1 218 . 1 . 1 31 31 LEU HB2 H 1 1.518 0.000 . 2 . . . . A 30 LEU HB2 . 31051 1 219 . 1 . 1 31 31 LEU HB3 H 1 0.944 0.000 . 2 . . . . A 30 LEU HB3 . 31051 1 220 . 1 . 1 31 31 LEU HG H 1 1.395 0.002 . 1 . . . . A 30 LEU HG . 31051 1 221 . 1 . 1 31 31 LEU HD11 H 1 0.831 0.001 . 1 . . . . A 30 LEU HD11 . 31051 1 222 . 1 . 1 31 31 LEU HD12 H 1 0.831 0.001 . 1 . . . . A 30 LEU HD12 . 31051 1 223 . 1 . 1 31 31 LEU HD13 H 1 0.831 0.001 . 1 . . . . A 30 LEU HD13 . 31051 1 224 . 1 . 1 31 31 LEU HD21 H 1 0.831 0.001 . 1 . . . . A 30 LEU HD21 . 31051 1 225 . 1 . 1 31 31 LEU HD22 H 1 0.831 0.001 . 1 . . . . A 30 LEU HD22 . 31051 1 226 . 1 . 1 31 31 LEU HD23 H 1 0.831 0.001 . 1 . . . . A 30 LEU HD23 . 31051 1 227 . 1 . 1 32 32 ALA H H 1 7.689 0.001 . 1 . . . . A 31 ALA H . 31051 1 228 . 1 . 1 32 32 ALA HA H 1 4.116 0.002 . 1 . . . . A 31 ALA HA . 31051 1 229 . 1 . 1 32 32 ALA HB1 H 1 1.472 0.000 . 1 . . . . A 31 ALA HB1 . 31051 1 230 . 1 . 1 32 32 ALA HB2 H 1 1.472 0.000 . 1 . . . . A 31 ALA HB2 . 31051 1 231 . 1 . 1 32 32 ALA HB3 H 1 1.472 0.000 . 1 . . . . A 31 ALA HB3 . 31051 1 232 . 1 . 1 33 33 ALA H H 1 7.495 0.000 . 1 . . . . A 32 ALA H . 31051 1 233 . 1 . 1 33 33 ALA HA H 1 4.204 0.000 . 1 . . . . A 32 ALA HA . 31051 1 234 . 1 . 1 33 33 ALA HB1 H 1 1.454 0.000 . 1 . . . . A 32 ALA HB1 . 31051 1 235 . 1 . 1 33 33 ALA HB2 H 1 1.454 0.000 . 1 . . . . A 32 ALA HB2 . 31051 1 236 . 1 . 1 33 33 ALA HB3 H 1 1.454 0.000 . 1 . . . . A 32 ALA HB3 . 31051 1 237 . 1 . 1 34 34 TYR H H 1 7.921 0.000 . 1 . . . . A 33 TYR H . 31051 1 238 . 1 . 1 34 34 TYR HA H 1 4.164 0.002 . 1 . . . . A 33 TYR HA . 31051 1 239 . 1 . 1 34 34 TYR HB2 H 1 3.183 0.000 . 2 . . . . A 33 TYR HB2 . 31051 1 240 . 1 . 1 34 34 TYR HB3 H 1 3.072 0.001 . 2 . . . . A 33 TYR HB3 . 31051 1 241 . 1 . 1 34 34 TYR HD1 H 1 7.183 0.000 . 1 . . . . A 33 TYR HD1 . 31051 1 242 . 1 . 1 34 34 TYR HD2 H 1 7.183 0.000 . 1 . . . . A 33 TYR HD2 . 31051 1 243 . 1 . 1 34 34 TYR HE1 H 1 6.777 0.001 . 1 . . . . A 33 TYR HE1 . 31051 1 244 . 1 . 1 34 34 TYR HE2 H 1 6.777 0.001 . 1 . . . . A 33 TYR HE2 . 31051 1 245 . 1 . 1 35 35 NH2 HN1 H 1 7.101 0.000 . 2 . . . . A 34 NH2 HN1 . 31051 1 246 . 1 . 1 35 35 NH2 HN2 H 1 7.165 0.000 . 2 . . . . A 34 NH2 HN2 . 31051 1 stop_ save_