################################### # 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 34087 _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 NOESY' . . . 34087 1 2 '2D 1H-1H TOCSY' . . . 34087 1 3 '2D 1H-1H NOESY' . . . 34087 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.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 2 2 ILE H H 1 8.417 0.002 . 1 . . . . A 2 ILE H . 34087 1 2 . 1 1 2 2 ILE HA H 1 3.935 0.002 . 1 . . . . A 2 ILE HA . 34087 1 3 . 1 1 2 2 ILE HB H 1 1.332 0.000 . 1 . . . . A 2 ILE HB . 34087 1 4 . 1 1 2 2 ILE HG12 H 1 1.189 0.000 . 2 . . . . A 2 ILE HG12 . 34087 1 5 . 1 1 2 2 ILE HG13 H 1 0.931 0.001 . 2 . . . . A 2 ILE HG13 . 34087 1 6 . 1 1 2 2 ILE HG21 H 1 0.754 0.002 . 1 . . . . A 2 ILE HG21 . 34087 1 7 . 1 1 2 2 ILE HG22 H 1 0.754 0.002 . 1 . . . . A 2 ILE HG22 . 34087 1 8 . 1 1 2 2 ILE HG23 H 1 0.754 0.002 . 1 . . . . A 2 ILE HG23 . 34087 1 9 . 1 1 2 2 ILE HD11 H 1 0.632 0.006 . 1 . . . . A 2 ILE HD11 . 34087 1 10 . 1 1 2 2 ILE HD12 H 1 0.632 0.006 . 1 . . . . A 2 ILE HD12 . 34087 1 11 . 1 1 2 2 ILE HD13 H 1 0.632 0.006 . 1 . . . . A 2 ILE HD13 . 34087 1 12 . 1 1 3 3 VAL H H 1 8.011 0.002 . 1 . . . . A 3 VAL H . 34087 1 13 . 1 1 3 3 VAL HA H 1 3.683 0.001 . 1 . . . . A 3 VAL HA . 34087 1 14 . 1 1 3 3 VAL HB H 1 1.990 0.001 . 1 . . . . A 3 VAL HB . 34087 1 15 . 1 1 3 3 VAL HG11 H 1 0.925 0.001 . 1 . . . . A 3 VAL HG11 . 34087 1 16 . 1 1 3 3 VAL HG12 H 1 0.925 0.001 . 1 . . . . A 3 VAL HG12 . 34087 1 17 . 1 1 3 3 VAL HG13 H 1 0.925 0.001 . 1 . . . . A 3 VAL HG13 . 34087 1 18 . 1 1 3 3 VAL HG21 H 1 0.873 0.000 . 1 . . . . A 3 VAL HG21 . 34087 1 19 . 1 1 3 3 VAL HG22 H 1 0.873 0.000 . 1 . . . . A 3 VAL HG22 . 34087 1 20 . 1 1 3 3 VAL HG23 H 1 0.873 0.000 . 1 . . . . A 3 VAL HG23 . 34087 1 21 . 1 1 4 4 GLU H H 1 8.115 0.002 . 1 . . . . A 4 GLU H . 34087 1 22 . 1 1 4 4 GLU HA H 1 4.229 0.002 . 1 . . . . A 4 GLU HA . 34087 1 23 . 1 1 4 4 GLU HB2 H 1 2.049 0.000 . 2 . . . . A 4 GLU HB2 . 34087 1 24 . 1 1 4 4 GLU HB3 H 1 2.049 0.000 . 2 . . . . A 4 GLU HB3 . 34087 1 25 . 1 1 4 4 GLU HG2 H 1 2.469 0.000 . 2 . . . . A 4 GLU HG2 . 34087 1 26 . 1 1 4 4 GLU HG3 H 1 2.469 0.000 . 2 . . . . A 4 GLU HG3 . 34087 1 27 . 1 1 5 5 GLN H H 1 8.268 0.007 . 1 . . . . A 5 GLN H . 34087 1 28 . 1 1 5 5 GLN HA H 1 4.171 0.003 . 1 . . . . A 5 GLN HA . 34087 1 29 . 1 1 5 5 GLN HB2 H 1 2.140 0.001 . 2 . . . . A 5 GLN HB2 . 34087 1 30 . 1 1 5 5 GLN HB3 H 1 2.046 0.001 . 2 . . . . A 5 GLN HB3 . 34087 1 31 . 1 1 5 5 GLN HG2 H 1 2.473 0.001 . 2 . . . . A 5 GLN HG2 . 34087 1 32 . 1 1 5 5 GLN HG3 H 1 2.345 0.000 . 2 . . . . A 5 GLN HG3 . 34087 1 33 . 1 1 5 5 GLN HE21 H 1 7.463 0.001 . 2 . . . . A 5 GLN HE21 . 34087 1 34 . 1 1 5 5 GLN HE22 H 1 6.778 0.000 . 2 . . . . A 5 GLN HE22 . 34087 1 35 . 1 1 6 6 CYS H H 1 8.182 0.001 . 1 . . . . A 6 CYS H . 34087 1 36 . 1 1 6 6 CYS HA H 1 4.839 0.003 . 1 . . . . A 6 CYS HA . 34087 1 37 . 1 1 6 6 CYS HB2 H 1 3.276 0.000 . 2 . . . . A 6 CYS HB2 . 34087 1 38 . 1 1 6 6 CYS HB3 H 1 2.841 0.001 . 2 . . . . A 6 CYS HB3 . 34087 1 39 . 1 1 7 7 CYS H H 1 8.244 0.002 . 1 . . . . A 7 CYS H . 34087 1 40 . 1 1 7 7 CYS HA H 1 4.777 0.000 . 1 . . . . A 7 CYS HA . 34087 1 41 . 1 1 7 7 CYS HB2 H 1 3.704 0.002 . 2 . . . . A 7 CYS HB2 . 34087 1 42 . 1 1 7 7 CYS HB3 H 1 3.266 0.001 . 2 . . . . A 7 CYS HB3 . 34087 1 43 . 1 1 8 8 THR H H 1 8.104 0.002 . 1 . . . . A 8 THR H . 34087 1 44 . 1 1 8 8 THR HA H 1 4.016 0.002 . 1 . . . . A 8 THR HA . 34087 1 45 . 1 1 8 8 THR HB H 1 4.322 0.000 . 1 . . . . A 8 THR HB . 34087 1 46 . 1 1 8 8 THR HG21 H 1 1.205 0.002 . 1 . . . . A 8 THR HG21 . 34087 1 47 . 1 1 8 8 THR HG22 H 1 1.205 0.002 . 1 . . . . A 8 THR HG22 . 34087 1 48 . 1 1 8 8 THR HG23 H 1 1.205 0.002 . 1 . . . . A 8 THR HG23 . 34087 1 49 . 1 1 9 9 SER H H 1 7.416 0.003 . 1 . . . . A 9 SER H . 34087 1 50 . 1 1 9 9 SER HA H 1 4.705 0.002 . 1 . . . . A 9 SER HA . 34087 1 51 . 1 1 9 9 SER HB2 H 1 3.977 0.000 . 2 . . . . A 9 SER HB2 . 34087 1 52 . 1 1 9 9 SER HB3 H 1 3.838 0.002 . 2 . . . . A 9 SER HB3 . 34087 1 53 . 1 1 10 10 ILE H H 1 7.770 0.002 . 1 . . . . A 10 ILE H . 34087 1 54 . 1 1 10 10 ILE HA H 1 4.358 0.001 . 1 . . . . A 10 ILE HA . 34087 1 55 . 1 1 10 10 ILE HB H 1 1.535 0.002 . 1 . . . . A 10 ILE HB . 34087 1 56 . 1 1 10 10 ILE HG12 H 1 1.101 0.002 . 2 . . . . A 10 ILE HG12 . 34087 1 57 . 1 1 10 10 ILE HG13 H 1 0.466 0.003 . 2 . . . . A 10 ILE HG13 . 34087 1 58 . 1 1 10 10 ILE HG21 H 1 0.630 0.001 . 1 . . . . A 10 ILE HG21 . 34087 1 59 . 1 1 10 10 ILE HG22 H 1 0.630 0.001 . 1 . . . . A 10 ILE HG22 . 34087 1 60 . 1 1 10 10 ILE HG23 H 1 0.630 0.001 . 1 . . . . A 10 ILE HG23 . 34087 1 61 . 1 1 10 10 ILE HD11 H 1 0.529 0.002 . 1 . . . . A 10 ILE HD11 . 34087 1 62 . 1 1 10 10 ILE HD12 H 1 0.529 0.002 . 1 . . . . A 10 ILE HD12 . 34087 1 63 . 1 1 10 10 ILE HD13 H 1 0.529 0.002 . 1 . . . . A 10 ILE HD13 . 34087 1 64 . 1 1 11 11 CYS H H 1 9.499 0.003 . 1 . . . . A 11 CYS H . 34087 1 65 . 1 1 11 11 CYS HA H 1 4.982 0.000 . 1 . . . . A 11 CYS HA . 34087 1 66 . 1 1 11 11 CYS HB2 H 1 3.206 0.000 . 2 . . . . A 11 CYS HB2 . 34087 1 67 . 1 1 11 11 CYS HB3 H 1 3.108 0.000 . 2 . . . . A 11 CYS HB3 . 34087 1 68 . 1 1 12 12 SER H H 1 8.591 0.001 . 1 . . . . A 12 SER H . 34087 1 69 . 1 1 12 12 SER HA H 1 4.553 0.004 . 1 . . . . A 12 SER HA . 34087 1 70 . 1 1 12 12 SER HB2 H 1 4.271 0.002 . 2 . . . . A 12 SER HB2 . 34087 1 71 . 1 1 12 12 SER HB3 H 1 3.942 0.001 . 2 . . . . A 12 SER HB3 . 34087 1 72 . 1 1 13 13 LEU H H 1 8.641 0.002 . 1 . . . . A 13 LEU H . 34087 1 73 . 1 1 13 13 LEU HA H 1 3.917 0.004 . 1 . . . . A 13 LEU HA . 34087 1 74 . 1 1 13 13 LEU HB2 H 1 1.481 0.001 . 2 . . . . A 13 LEU HB2 . 34087 1 75 . 1 1 13 13 LEU HB3 H 1 1.419 0.002 . 2 . . . . A 13 LEU HB3 . 34087 1 76 . 1 1 13 13 LEU HG H 1 1.464 0.000 . 1 . . . . A 13 LEU HG . 34087 1 77 . 1 1 13 13 LEU HD11 H 1 0.850 0.001 . 1 . . . . A 13 LEU HD11 . 34087 1 78 . 1 1 13 13 LEU HD12 H 1 0.850 0.001 . 1 . . . . A 13 LEU HD12 . 34087 1 79 . 1 1 13 13 LEU HD13 H 1 0.850 0.001 . 1 . . . . A 13 LEU HD13 . 34087 1 80 . 1 1 13 13 LEU HD21 H 1 0.778 0.001 . 1 . . . . A 13 LEU HD21 . 34087 1 81 . 1 1 13 13 LEU HD22 H 1 0.778 0.001 . 1 . . . . A 13 LEU HD22 . 34087 1 82 . 1 1 13 13 LEU HD23 H 1 0.778 0.001 . 1 . . . . A 13 LEU HD23 . 34087 1 83 . 1 1 14 14 TYR H H 1 7.477 0.002 . 1 . . . . A 14 TYR H . 34087 1 84 . 1 1 14 14 TYR HA H 1 4.118 0.001 . 1 . . . . A 14 TYR HA . 34087 1 85 . 1 1 14 14 TYR HB2 H 1 2.926 0.001 . 2 . . . . A 14 TYR HB2 . 34087 1 86 . 1 1 14 14 TYR HB3 H 1 2.926 0.001 . 2 . . . . A 14 TYR HB3 . 34087 1 87 . 1 1 14 14 TYR HD1 H 1 7.054 0.003 . 3 . . . . A 14 TYR HD1 . 34087 1 88 . 1 1 14 14 TYR HD2 H 1 7.054 0.003 . 3 . . . . A 14 TYR HD2 . 34087 1 89 . 1 1 14 14 TYR HE1 H 1 6.822 0.000 . 3 . . . . A 14 TYR HE1 . 34087 1 90 . 1 1 14 14 TYR HE2 H 1 6.822 0.000 . 3 . . . . A 14 TYR HE2 . 34087 1 91 . 1 1 15 15 GLN H H 1 7.511 0.002 . 1 . . . . A 15 GLN H . 34087 1 92 . 1 1 15 15 GLN HA H 1 3.952 0.000 . 1 . . . . A 15 GLN HA . 34087 1 93 . 1 1 15 15 GLN HB2 H 1 2.346 0.000 . 2 . . . . A 15 GLN HB2 . 34087 1 94 . 1 1 15 15 GLN HB3 H 1 1.992 0.000 . 2 . . . . A 15 GLN HB3 . 34087 1 95 . 1 1 15 15 GLN HG2 H 1 2.407 0.000 . 2 . . . . A 15 GLN HG2 . 34087 1 96 . 1 1 15 15 GLN HG3 H 1 2.325 0.001 . 2 . . . . A 15 GLN HG3 . 34087 1 97 . 1 1 15 15 GLN HE21 H 1 7.407 0.001 . 2 . . . . A 15 GLN HE21 . 34087 1 98 . 1 1 15 15 GLN HE22 H 1 6.875 0.000 . 2 . . . . A 15 GLN HE22 . 34087 1 99 . 1 1 16 16 LEU H H 1 8.008 0.013 . 1 . . . . A 16 LEU H . 34087 1 100 . 1 1 16 16 LEU HA H 1 4.130 0.001 . 1 . . . . A 16 LEU HA . 34087 1 101 . 1 1 16 16 LEU HB2 H 1 1.887 0.000 . 2 . . . . A 16 LEU HB2 . 34087 1 102 . 1 1 16 16 LEU HB3 H 1 1.558 0.001 . 2 . . . . A 16 LEU HB3 . 34087 1 103 . 1 1 16 16 LEU HG H 1 1.708 0.000 . 1 . . . . A 16 LEU HG . 34087 1 104 . 1 1 16 16 LEU HD11 H 1 0.791 0.001 . 1 . . . . A 16 LEU HD11 . 34087 1 105 . 1 1 16 16 LEU HD12 H 1 0.791 0.001 . 1 . . . . A 16 LEU HD12 . 34087 1 106 . 1 1 16 16 LEU HD13 H 1 0.791 0.001 . 1 . . . . A 16 LEU HD13 . 34087 1 107 . 1 1 16 16 LEU HD21 H 1 0.751 0.001 . 1 . . . . A 16 LEU HD21 . 34087 1 108 . 1 1 16 16 LEU HD22 H 1 0.751 0.001 . 1 . . . . A 16 LEU HD22 . 34087 1 109 . 1 1 16 16 LEU HD23 H 1 0.751 0.001 . 1 . . . . A 16 LEU HD23 . 34087 1 110 . 1 1 17 17 GLU H H 1 8.053 0.014 . 1 . . . . A 17 GLU H . 34087 1 111 . 1 1 17 17 GLU HA H 1 4.148 0.002 . 1 . . . . A 17 GLU HA . 34087 1 112 . 1 1 17 17 GLU HB2 H 1 2.082 0.004 . 2 . . . . A 17 GLU HB2 . 34087 1 113 . 1 1 17 17 GLU HB3 H 1 2.011 0.001 . 2 . . . . A 17 GLU HB3 . 34087 1 114 . 1 1 17 17 GLU HG2 H 1 2.553 0.001 . 2 . . . . A 17 GLU HG2 . 34087 1 115 . 1 1 17 17 GLU HG3 H 1 2.325 0.001 . 2 . . . . A 17 GLU HG3 . 34087 1 116 . 1 1 18 18 ASN H H 1 7.421 0.001 . 1 . . . . A 18 ASN H . 34087 1 117 . 1 1 18 18 ASN HA H 1 4.420 0.000 . 1 . . . . A 18 ASN HA . 34087 1 118 . 1 1 18 18 ASN HB2 H 1 2.609 0.001 . 2 . . . . A 18 ASN HB2 . 34087 1 119 . 1 1 18 18 ASN HB3 H 1 2.490 0.001 . 2 . . . . A 18 ASN HB3 . 34087 1 120 . 1 1 18 18 ASN HD21 H 1 7.148 0.002 . 2 . . . . A 18 ASN HD21 . 34087 1 121 . 1 1 18 18 ASN HD22 H 1 6.419 0.001 . 2 . . . . A 18 ASN HD22 . 34087 1 122 . 1 1 19 19 TYR H H 1 7.909 0.001 . 1 . . . . A 19 TYR H . 34087 1 123 . 1 1 19 19 TYR HA H 1 4.388 0.000 . 1 . . . . A 19 TYR HA . 34087 1 124 . 1 1 19 19 TYR HB2 H 1 3.323 0.001 . 2 . . . . A 19 TYR HB2 . 34087 1 125 . 1 1 19 19 TYR HB3 H 1 2.963 0.006 . 2 . . . . A 19 TYR HB3 . 34087 1 126 . 1 1 19 19 TYR HD1 H 1 7.314 0.001 . 3 . . . . A 19 TYR HD1 . 34087 1 127 . 1 1 19 19 TYR HD2 H 1 7.314 0.001 . 3 . . . . A 19 TYR HD2 . 34087 1 128 . 1 1 19 19 TYR HE1 H 1 6.728 0.003 . 3 . . . . A 19 TYR HE1 . 34087 1 129 . 1 1 19 19 TYR HE2 H 1 6.728 0.003 . 3 . . . . A 19 TYR HE2 . 34087 1 130 . 1 1 20 20 CYS H H 1 7.625 0.000 . 1 . . . . A 20 CYS H . 34087 1 131 . 1 1 20 20 CYS HA H 1 4.780 0.002 . 1 . . . . A 20 CYS HA . 34087 1 132 . 1 1 20 20 CYS HB2 H 1 3.020 0.001 . 2 . . . . A 20 CYS HB2 . 34087 1 133 . 1 1 20 20 CYS HB3 H 1 2.891 0.001 . 2 . . . . A 20 CYS HB3 . 34087 1 134 . 1 1 21 21 LYS H H 1 7.852 0.001 . 1 . . . . A 21 LYS H . 34087 1 135 . 1 1 21 21 LYS HA H 1 4.207 0.000 . 1 . . . . A 21 LYS HA . 34087 1 136 . 1 1 21 21 LYS HB2 H 1 1.777 0.000 . 2 . . . . A 21 LYS HB2 . 34087 1 137 . 1 1 21 21 LYS HB3 H 1 1.675 0.004 . 2 . . . . A 21 LYS HB3 . 34087 1 138 . 1 1 21 21 LYS HG2 H 1 1.151 0.001 . 2 . . . . A 21 LYS HG2 . 34087 1 139 . 1 1 21 21 LYS HG3 H 1 1.019 0.000 . 2 . . . . A 21 LYS HG3 . 34087 1 140 . 1 1 21 21 LYS HD2 H 1 1.534 0.002 . 1 . . . . A 21 LYS HD2 . 34087 1 141 . 1 1 21 21 LYS HD3 H 1 1.534 0.002 . 1 . . . . A 21 LYS HD3 . 34087 1 142 . 1 1 21 21 LYS HE2 H 1 2.776 0.000 . 1 . . . . A 21 LYS HE2 . 34087 1 143 . 1 1 21 21 LYS HE3 H 1 2.776 0.000 . 1 . . . . A 21 LYS HE3 . 34087 1 stop_ save_ ################################### # 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_2 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_2 _Assigned_chem_shift_list.Entry_ID 34087 _Assigned_chem_shift_list.ID 2 _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 NOESY' . . . 34087 2 2 '2D 1H-1H TOCSY' . . . 34087 2 3 '2D 1H-1H NOESY' . . . 34087 2 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.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 . 2 2 1 1 PHE HA H 1 4.260 0.000 . 1 . . . . B 1 PHE HA . 34087 2 2 . 2 2 2 2 VAL H H 1 8.090 0.002 . 1 . . . . B 2 VAL H . 34087 2 3 . 2 2 2 2 VAL HA H 1 4.077 0.003 . 1 . . . . B 2 VAL HA . 34087 2 4 . 2 2 2 2 VAL HB H 1 1.929 0.002 . 1 . . . . B 2 VAL HB . 34087 2 5 . 2 2 2 2 VAL HG11 H 1 0.856 0.002 . 1 . . . . B 2 VAL HG11 . 34087 2 6 . 2 2 2 2 VAL HG12 H 1 0.856 0.002 . 1 . . . . B 2 VAL HG12 . 34087 2 7 . 2 2 2 2 VAL HG13 H 1 0.856 0.002 . 1 . . . . B 2 VAL HG13 . 34087 2 8 . 2 2 2 2 VAL HG21 H 1 0.856 0.002 . 1 . . . . B 2 VAL HG21 . 34087 2 9 . 2 2 2 2 VAL HG22 H 1 0.856 0.002 . 1 . . . . B 2 VAL HG22 . 34087 2 10 . 2 2 2 2 VAL HG23 H 1 0.856 0.002 . 1 . . . . B 2 VAL HG23 . 34087 2 11 . 2 2 3 3 ASN H H 1 8.292 0.001 . 1 . . . . B 3 ASN H . 34087 2 12 . 2 2 3 3 ASN HA H 1 4.627 0.001 . 1 . . . . B 3 ASN HA . 34087 2 13 . 2 2 3 3 ASN HB2 H 1 2.740 0.000 . 2 . . . . B 3 ASN HB2 . 34087 2 14 . 2 2 3 3 ASN HB3 H 1 2.673 0.001 . 2 . . . . B 3 ASN HB3 . 34087 2 15 . 2 2 3 3 ASN HD21 H 1 7.474 0.001 . 2 . . . . B 3 ASN HD21 . 34087 2 16 . 2 2 3 3 ASN HD22 H 1 6.791 0.001 . 2 . . . . B 3 ASN HD22 . 34087 2 17 . 2 2 4 4 GLN H H 1 8.226 0.001 . 1 . . . . B 4 GLN H . 34087 2 18 . 2 2 4 4 GLN HA H 1 4.391 0.002 . 1 . . . . B 4 GLN HA . 34087 2 19 . 2 2 4 4 GLN HB2 H 1 2.077 0.000 . 2 . . . . B 4 GLN HB2 . 34087 2 20 . 2 2 4 4 GLN HB3 H 1 1.810 0.000 . 2 . . . . B 4 GLN HB3 . 34087 2 21 . 2 2 4 4 GLN HG2 H 1 2.226 0.001 . 2 . . . . B 4 GLN HG2 . 34087 2 22 . 2 2 4 4 GLN HG3 H 1 2.154 0.001 . 2 . . . . B 4 GLN HG3 . 34087 2 23 . 2 2 4 4 GLN HE21 H 1 7.346 0.001 . 2 . . . . B 4 GLN HE21 . 34087 2 24 . 2 2 4 4 GLN HE22 H 1 6.656 0.001 . 2 . . . . B 4 GLN HE22 . 34087 2 25 . 2 2 5 5 HIS H H 1 8.441 0.002 . 1 . . . . B 5 HIS H . 34087 2 26 . 2 2 5 5 HIS HA H 1 4.408 0.002 . 1 . . . . B 5 HIS HA . 34087 2 27 . 2 2 5 5 HIS HB2 H 1 3.526 0.002 . 2 . . . . B 5 HIS HB2 . 34087 2 28 . 2 2 5 5 HIS HB3 H 1 3.232 0.008 . 2 . . . . B 5 HIS HB3 . 34087 2 29 . 2 2 5 5 HIS HD2 H 1 7.338 0.002 . 1 . . . . B 5 HIS HD2 . 34087 2 30 . 2 2 5 5 HIS HE1 H 1 8.499 0.002 . 1 . . . . B 5 HIS HE1 . 34087 2 31 . 2 2 6 6 LEU H H 1 8.851 0.003 . 1 . . . . B 6 LEU H . 34087 2 32 . 2 2 6 6 LEU HA H 1 4.444 0.001 . 1 . . . . B 6 LEU HA . 34087 2 33 . 2 2 6 6 LEU HB2 H 1 1.688 0.002 . 2 . . . . B 6 LEU HB2 . 34087 2 34 . 2 2 6 6 LEU HB3 H 1 0.891 0.002 . 2 . . . . B 6 LEU HB3 . 34087 2 35 . 2 2 6 6 LEU HG H 1 1.548 0.000 . 1 . . . . B 6 LEU HG . 34087 2 36 . 2 2 6 6 LEU HD11 H 1 0.841 0.002 . 1 . . . . B 6 LEU HD11 . 34087 2 37 . 2 2 6 6 LEU HD12 H 1 0.841 0.002 . 1 . . . . B 6 LEU HD12 . 34087 2 38 . 2 2 6 6 LEU HD13 H 1 0.841 0.002 . 1 . . . . B 6 LEU HD13 . 34087 2 39 . 2 2 6 6 LEU HD21 H 1 0.704 0.002 . 1 . . . . B 6 LEU HD21 . 34087 2 40 . 2 2 6 6 LEU HD22 H 1 0.704 0.002 . 1 . . . . B 6 LEU HD22 . 34087 2 41 . 2 2 6 6 LEU HD23 H 1 0.704 0.002 . 1 . . . . B 6 LEU HD23 . 34087 2 42 . 2 2 7 7 CYS H H 1 8.199 0.001 . 1 . . . . B 7 CYS H . 34087 2 43 . 2 2 7 7 CYS HA H 1 4.904 0.002 . 1 . . . . B 7 CYS HA . 34087 2 44 . 2 2 7 7 CYS HB2 H 1 3.194 0.001 . 2 . . . . B 7 CYS HB2 . 34087 2 45 . 2 2 7 7 CYS HB3 H 1 2.941 0.003 . 2 . . . . B 7 CYS HB3 . 34087 2 46 . 2 2 8 8 GLY H H 1 8.978 0.003 . 1 . . . . B 8 GLY H . 34087 2 47 . 2 2 8 8 GLY HA2 H 1 3.966 0.002 . 2 . . . . B 8 GLY HA2 . 34087 2 48 . 2 2 8 8 GLY HA3 H 1 3.782 0.002 . 2 . . . . B 8 GLY HA3 . 34087 2 49 . 2 2 9 9 SER H H 1 8.978 0.003 . 1 . . . . B 9 SER H . 34087 2 50 . 2 2 9 9 SER HA H 1 4.069 0.002 . 1 . . . . B 9 SER HA . 34087 2 51 . 2 2 9 9 SER HB2 H 1 3.843 0.002 . 2 . . . . B 9 SER HB2 . 34087 2 52 . 2 2 9 9 SER HB3 H 1 3.843 0.002 . 2 . . . . B 9 SER HB3 . 34087 2 53 . 2 2 10 10 HIS H H 1 7.953 0.001 . 1 . . . . B 10 HIS H . 34087 2 54 . 2 2 10 10 HIS HA H 1 4.458 0.002 . 1 . . . . B 10 HIS HA . 34087 2 55 . 2 2 10 10 HIS HB2 H 1 3.518 0.001 . 2 . . . . B 10 HIS HB2 . 34087 2 56 . 2 2 10 10 HIS HB3 H 1 3.235 0.001 . 2 . . . . B 10 HIS HB3 . 34087 2 57 . 2 2 10 10 HIS HD2 H 1 7.422 0.001 . 1 . . . . B 10 HIS HD2 . 34087 2 58 . 2 2 10 10 HIS HE1 H 1 8.639 0.001 . 1 . . . . B 10 HIS HE1 . 34087 2 59 . 2 2 11 11 LEU H H 1 7.038 0.002 . 1 . . . . B 11 LEU H . 34087 2 60 . 2 2 11 11 LEU HA H 1 3.965 0.002 . 1 . . . . B 11 LEU HA . 34087 2 61 . 2 2 11 11 LEU HB2 H 1 1.846 0.002 . 2 . . . . B 11 LEU HB2 . 34087 2 62 . 2 2 11 11 LEU HB3 H 1 1.185 0.001 . 2 . . . . B 11 LEU HB3 . 34087 2 63 . 2 2 11 11 LEU HG H 1 1.304 0.005 . 1 . . . . B 11 LEU HG . 34087 2 64 . 2 2 11 11 LEU HD11 H 1 0.769 0.001 . 1 . . . . B 11 LEU HD11 . 34087 2 65 . 2 2 11 11 LEU HD12 H 1 0.769 0.001 . 1 . . . . B 11 LEU HD12 . 34087 2 66 . 2 2 11 11 LEU HD13 H 1 0.769 0.001 . 1 . . . . B 11 LEU HD13 . 34087 2 67 . 2 2 11 11 LEU HD21 H 1 0.700 0.004 . 1 . . . . B 11 LEU HD21 . 34087 2 68 . 2 2 11 11 LEU HD22 H 1 0.700 0.004 . 1 . . . . B 11 LEU HD22 . 34087 2 69 . 2 2 11 11 LEU HD23 H 1 0.700 0.004 . 1 . . . . B 11 LEU HD23 . 34087 2 70 . 2 2 12 12 VAL H H 1 7.213 0.002 . 1 . . . . B 12 VAL H . 34087 2 71 . 2 2 12 12 VAL HA H 1 3.307 0.002 . 1 . . . . B 12 VAL HA . 34087 2 72 . 2 2 12 12 VAL HB H 1 2.034 0.000 . 1 . . . . B 12 VAL HB . 34087 2 73 . 2 2 12 12 VAL HG11 H 1 0.945 0.001 . 1 . . . . B 12 VAL HG11 . 34087 2 74 . 2 2 12 12 VAL HG12 H 1 0.945 0.001 . 1 . . . . B 12 VAL HG12 . 34087 2 75 . 2 2 12 12 VAL HG13 H 1 0.945 0.001 . 1 . . . . B 12 VAL HG13 . 34087 2 76 . 2 2 12 12 VAL HG21 H 1 0.920 0.005 . 1 . . . . B 12 VAL HG21 . 34087 2 77 . 2 2 12 12 VAL HG22 H 1 0.920 0.005 . 1 . . . . B 12 VAL HG22 . 34087 2 78 . 2 2 12 12 VAL HG23 H 1 0.920 0.005 . 1 . . . . B 12 VAL HG23 . 34087 2 79 . 2 2 13 13 GLU H H 1 7.914 0.002 . 1 . . . . B 13 GLU H . 34087 2 80 . 2 2 13 13 GLU HA H 1 4.045 0.002 . 1 . . . . B 13 GLU HA . 34087 2 81 . 2 2 13 13 GLU HB2 H 1 2.127 0.002 . 2 . . . . B 13 GLU HB2 . 34087 2 82 . 2 2 13 13 GLU HB3 H 1 2.059 0.006 . 2 . . . . B 13 GLU HB3 . 34087 2 83 . 2 2 13 13 GLU HG2 H 1 2.510 0.001 . 2 . . . . B 13 GLU HG2 . 34087 2 84 . 2 2 13 13 GLU HG3 H 1 2.510 0.001 . 2 . . . . B 13 GLU HG3 . 34087 2 85 . 2 2 14 14 ALA H H 1 7.709 0.003 . 1 . . . . B 14 ALA H . 34087 2 86 . 2 2 14 14 ALA HA H 1 4.050 0.002 . 1 . . . . B 14 ALA HA . 34087 2 87 . 2 2 14 14 ALA HB1 H 1 1.437 0.002 . 1 . . . . B 14 ALA HB1 . 34087 2 88 . 2 2 14 14 ALA HB2 H 1 1.437 0.002 . 1 . . . . B 14 ALA HB2 . 34087 2 89 . 2 2 14 14 ALA HB3 H 1 1.437 0.002 . 1 . . . . B 14 ALA HB3 . 34087 2 90 . 2 2 15 15 LEU H H 1 8.041 0.002 . 1 . . . . B 15 LEU H . 34087 2 91 . 2 2 15 15 LEU HA H 1 3.879 0.002 . 1 . . . . B 15 LEU HA . 34087 2 92 . 2 2 15 15 LEU HB2 H 1 1.409 0.000 . 2 . . . . B 15 LEU HB2 . 34087 2 93 . 2 2 15 15 LEU HB3 H 1 0.978 0.002 . 2 . . . . B 15 LEU HB3 . 34087 2 94 . 2 2 15 15 LEU HG H 1 1.486 0.000 . 1 . . . . B 15 LEU HG . 34087 2 95 . 2 2 15 15 LEU HD11 H 1 0.659 0.001 . 1 . . . . B 15 LEU HD11 . 34087 2 96 . 2 2 15 15 LEU HD12 H 1 0.659 0.001 . 1 . . . . B 15 LEU HD12 . 34087 2 97 . 2 2 15 15 LEU HD13 H 1 0.659 0.001 . 1 . . . . B 15 LEU HD13 . 34087 2 98 . 2 2 15 15 LEU HD21 H 1 0.469 0.001 . 1 . . . . B 15 LEU HD21 . 34087 2 99 . 2 2 15 15 LEU HD22 H 1 0.469 0.001 . 1 . . . . B 15 LEU HD22 . 34087 2 100 . 2 2 15 15 LEU HD23 H 1 0.469 0.001 . 1 . . . . B 15 LEU HD23 . 34087 2 101 . 2 2 16 16 TYR H H 1 8.150 0.002 . 1 . . . . B 16 TYR H . 34087 2 102 . 2 2 16 16 TYR HA H 1 4.197 0.004 . 1 . . . . B 16 TYR HA . 34087 2 103 . 2 2 16 16 TYR HB2 H 1 3.102 0.002 . 2 . . . . B 16 TYR HB2 . 34087 2 104 . 2 2 16 16 TYR HB3 H 1 3.102 0.002 . 2 . . . . B 16 TYR HB3 . 34087 2 105 . 2 2 16 16 TYR HD1 H 1 7.098 0.000 . 3 . . . . B 16 TYR HD1 . 34087 2 106 . 2 2 16 16 TYR HD2 H 1 7.098 0.000 . 3 . . . . B 16 TYR HD2 . 34087 2 107 . 2 2 16 16 TYR HE1 H 1 6.736 0.000 . 3 . . . . B 16 TYR HE1 . 34087 2 108 . 2 2 16 16 TYR HE2 H 1 6.736 0.000 . 3 . . . . B 16 TYR HE2 . 34087 2 109 . 2 2 17 17 LEU H H 1 7.892 0.004 . 1 . . . . B 17 LEU H . 34087 2 110 . 2 2 17 17 LEU HA H 1 4.037 0.002 . 1 . . . . B 17 LEU HA . 34087 2 111 . 2 2 17 17 LEU HB2 H 1 1.888 0.000 . 2 . . . . B 17 LEU HB2 . 34087 2 112 . 2 2 17 17 LEU HB3 H 1 1.626 0.001 . 2 . . . . B 17 LEU HB3 . 34087 2 113 . 2 2 17 17 LEU HD11 H 1 0.926 0.000 . 1 . . . . B 17 LEU HD11 . 34087 2 114 . 2 2 17 17 LEU HD12 H 1 0.926 0.000 . 1 . . . . B 17 LEU HD12 . 34087 2 115 . 2 2 17 17 LEU HD13 H 1 0.926 0.000 . 1 . . . . B 17 LEU HD13 . 34087 2 116 . 2 2 17 17 LEU HD21 H 1 0.905 0.014 . 1 . . . . B 17 LEU HD21 . 34087 2 117 . 2 2 17 17 LEU HD22 H 1 0.905 0.014 . 1 . . . . B 17 LEU HD22 . 34087 2 118 . 2 2 17 17 LEU HD23 H 1 0.905 0.014 . 1 . . . . B 17 LEU HD23 . 34087 2 119 . 2 2 18 18 VAL H H 1 8.439 0.002 . 1 . . . . B 18 VAL H . 34087 2 120 . 2 2 18 18 VAL HA H 1 3.796 0.001 . 1 . . . . B 18 VAL HA . 34087 2 121 . 2 2 18 18 VAL HB H 1 2.065 0.002 . 1 . . . . B 18 VAL HB . 34087 2 122 . 2 2 18 18 VAL HG11 H 1 0.998 0.001 . 1 . . . . B 18 VAL HG11 . 34087 2 123 . 2 2 18 18 VAL HG12 H 1 0.998 0.001 . 1 . . . . B 18 VAL HG12 . 34087 2 124 . 2 2 18 18 VAL HG13 H 1 0.998 0.001 . 1 . . . . B 18 VAL HG13 . 34087 2 125 . 2 2 18 18 VAL HG21 H 1 0.853 0.003 . 1 . . . . B 18 VAL HG21 . 34087 2 126 . 2 2 18 18 VAL HG22 H 1 0.853 0.003 . 1 . . . . B 18 VAL HG22 . 34087 2 127 . 2 2 18 18 VAL HG23 H 1 0.853 0.003 . 1 . . . . B 18 VAL HG23 . 34087 2 128 . 2 2 19 19 CYS H H 1 8.595 0.002 . 1 . . . . B 19 CYS H . 34087 2 129 . 2 2 19 19 CYS HA H 1 4.731 0.000 . 1 . . . . B 19 CYS HA . 34087 2 130 . 2 2 19 19 CYS HB2 H 1 3.213 0.001 . 2 . . . . B 19 CYS HB2 . 34087 2 131 . 2 2 19 19 CYS HB3 H 1 2.892 0.003 . 2 . . . . B 19 CYS HB3 . 34087 2 132 . 2 2 20 20 GLY H H 1 7.749 0.002 . 1 . . . . B 20 GLY H . 34087 2 133 . 2 2 20 20 GLY HA2 H 1 3.873 0.002 . 2 . . . . B 20 GLY HA2 . 34087 2 134 . 2 2 20 20 GLY HA3 H 1 3.873 0.002 . 2 . . . . B 20 GLY HA3 . 34087 2 135 . 2 2 21 21 GLU H H 1 8.273 0.004 . 1 . . . . B 21 GLU H . 34087 2 136 . 2 2 21 21 GLU HA H 1 4.196 0.000 . 1 . . . . B 21 GLU HA . 34087 2 137 . 2 2 21 21 GLU HB2 H 1 2.157 0.000 . 2 . . . . B 21 GLU HB2 . 34087 2 138 . 2 2 21 21 GLU HB3 H 1 2.032 0.001 . 2 . . . . B 21 GLU HB3 . 34087 2 139 . 2 2 21 21 GLU HG2 H 1 2.466 0.005 . 2 . . . . B 21 GLU HG2 . 34087 2 140 . 2 2 21 21 GLU HG3 H 1 2.466 0.005 . 2 . . . . B 21 GLU HG3 . 34087 2 141 . 2 2 22 22 ARG H H 1 7.895 0.002 . 1 . . . . B 22 ARG H . 34087 2 142 . 2 2 22 22 ARG HA H 1 4.131 0.002 . 1 . . . . B 22 ARG HA . 34087 2 143 . 2 2 22 22 ARG HB2 H 1 1.884 0.000 . 2 . . . . B 22 ARG HB2 . 34087 2 144 . 2 2 22 22 ARG HB3 H 1 1.884 0.000 . 2 . . . . B 22 ARG HB3 . 34087 2 145 . 2 2 22 22 ARG HG2 H 1 1.693 0.000 . 2 . . . . B 22 ARG HG2 . 34087 2 146 . 2 2 22 22 ARG HG3 H 1 1.693 0.000 . 2 . . . . B 22 ARG HG3 . 34087 2 147 . 2 2 22 22 ARG HD2 H 1 3.194 0.001 . 2 . . . . B 22 ARG HD2 . 34087 2 148 . 2 2 22 22 ARG HD3 H 1 3.194 0.001 . 2 . . . . B 22 ARG HD3 . 34087 2 149 . 2 2 23 23 GLY H H 1 7.615 0.005 . 1 . . . . B 23 GLY H . 34087 2 150 . 2 2 23 23 GLY HA2 H 1 3.903 0.003 . 2 . . . . B 23 GLY HA2 . 34087 2 151 . 2 2 23 23 GLY HA3 H 1 3.743 0.001 . 2 . . . . B 23 GLY HA3 . 34087 2 152 . 2 2 24 24 PHE H H 1 7.443 0.001 . 1 . . . . B 24 PHE H . 34087 2 153 . 2 2 24 24 PHE HA H 1 4.784 0.004 . 1 . . . . B 24 PHE HA . 34087 2 154 . 2 2 24 24 PHE HB2 H 1 3.175 0.000 . 2 . . . . B 24 PHE HB2 . 34087 2 155 . 2 2 24 24 PHE HB3 H 1 2.793 0.001 . 2 . . . . B 24 PHE HB3 . 34087 2 156 . 2 2 24 24 PHE HD1 H 1 6.945 0.002 . 3 . . . . B 24 PHE HD1 . 34087 2 157 . 2 2 24 24 PHE HD2 H 1 6.945 0.002 . 3 . . . . B 24 PHE HD2 . 34087 2 158 . 2 2 24 24 PHE HE1 H 1 7.079 0.004 . 3 . . . . B 24 PHE HE1 . 34087 2 159 . 2 2 24 24 PHE HE2 H 1 7.079 0.004 . 3 . . . . B 24 PHE HE2 . 34087 2 160 . 2 2 25 25 PHE H H 1 8.201 0.001 . 1 . . . . B 25 PHE H . 34087 2 161 . 2 2 25 25 PHE HA H 1 4.593 0.000 . 1 . . . . B 25 PHE HA . 34087 2 162 . 2 2 25 25 PHE HB2 H 1 3.207 0.001 . 2 . . . . B 25 PHE HB2 . 34087 2 163 . 2 2 25 25 PHE HB3 H 1 3.129 0.000 . 2 . . . . B 25 PHE HB3 . 34087 2 164 . 2 2 25 25 PHE HD1 H 1 7.196 0.000 . 3 . . . . B 25 PHE HD1 . 34087 2 165 . 2 2 25 25 PHE HD2 H 1 7.196 0.000 . 3 . . . . B 25 PHE HD2 . 34087 2 166 . 2 2 25 25 PHE HE1 H 1 7.298 0.002 . 3 . . . . B 25 PHE HE1 . 34087 2 167 . 2 2 25 25 PHE HE2 H 1 7.298 0.002 . 3 . . . . B 25 PHE HE2 . 34087 2 168 . 2 2 26 26 TYR H H 1 7.916 0.001 . 1 . . . . B 26 TYR H . 34087 2 169 . 2 2 26 26 TYR HA H 1 4.589 0.002 . 1 . . . . B 26 TYR HA . 34087 2 170 . 2 2 26 26 TYR HB2 H 1 3.014 0.005 . 2 . . . . B 26 TYR HB2 . 34087 2 171 . 2 2 26 26 TYR HB3 H 1 2.897 0.002 . 2 . . . . B 26 TYR HB3 . 34087 2 172 . 2 2 26 26 TYR HD1 H 1 7.053 0.003 . 3 . . . . B 26 TYR HD1 . 34087 2 173 . 2 2 26 26 TYR HD2 H 1 7.053 0.003 . 3 . . . . B 26 TYR HD2 . 34087 2 174 . 2 2 26 26 TYR HE1 H 1 6.751 0.002 . 3 . . . . B 26 TYR HE1 . 34087 2 175 . 2 2 26 26 TYR HE2 H 1 6.751 0.002 . 3 . . . . B 26 TYR HE2 . 34087 2 176 . 2 2 27 27 THR H H 1 7.692 0.004 . 1 . . . . B 27 THR H . 34087 2 177 . 2 2 27 27 THR HA H 1 4.558 0.000 . 1 . . . . B 27 THR HA . 34087 2 178 . 2 2 27 27 THR HB H 1 4.051 0.001 . 1 . . . . B 27 THR HB . 34087 2 179 . 2 2 27 27 THR HG21 H 1 1.167 0.000 . 1 . . . . B 27 THR HG21 . 34087 2 180 . 2 2 27 27 THR HG22 H 1 1.167 0.000 . 1 . . . . B 27 THR HG22 . 34087 2 181 . 2 2 27 27 THR HG23 H 1 1.167 0.000 . 1 . . . . B 27 THR HG23 . 34087 2 182 . 2 2 28 28 PRO HA H 1 4.323 0.000 . 1 . . . . B 28 PRO HA . 34087 2 183 . 2 2 28 28 PRO HB2 H 1 2.157 0.000 . 2 . . . . B 28 PRO HB2 . 34087 2 184 . 2 2 28 28 PRO HB3 H 1 1.859 0.001 . 2 . . . . B 28 PRO HB3 . 34087 2 185 . 2 2 28 28 PRO HD2 H 1 3.690 0.000 . 2 . . . . B 28 PRO HD2 . 34087 2 186 . 2 2 28 28 PRO HD3 H 1 3.690 0.000 . 2 . . . . B 28 PRO HD3 . 34087 2 187 . 2 2 29 29 LYS H H 1 8.169 0.002 . 1 . . . . B 29 LYS H . 34087 2 188 . 2 2 29 29 LYS HA H 1 4.266 0.000 . 1 . . . . B 29 LYS HA . 34087 2 189 . 2 2 29 29 LYS HB2 H 1 1.804 0.001 . 2 . . . . B 29 LYS HB2 . 34087 2 190 . 2 2 29 29 LYS HB3 H 1 1.719 0.000 . 2 . . . . B 29 LYS HB3 . 34087 2 191 . 2 2 29 29 LYS HG2 H 1 1.417 0.001 . 2 . . . . B 29 LYS HG2 . 34087 2 192 . 2 2 29 29 LYS HG3 H 1 1.417 0.001 . 2 . . . . B 29 LYS HG3 . 34087 2 193 . 2 2 29 29 LYS HD2 H 1 1.635 0.005 . 2 . . . . B 29 LYS HD2 . 34087 2 194 . 2 2 29 29 LYS HD3 H 1 1.635 0.005 . 2 . . . . B 29 LYS HD3 . 34087 2 195 . 2 2 29 29 LYS HE2 H 1 2.941 0.000 . 2 . . . . B 29 LYS HE2 . 34087 2 196 . 2 2 29 29 LYS HE3 H 1 2.941 0.000 . 2 . . . . B 29 LYS HE3 . 34087 2 197 . 2 2 30 30 THR H H 1 7.854 0.002 . 1 . . . . B 30 THR H . 34087 2 198 . 2 2 30 30 THR HA H 1 4.268 0.002 . 1 . . . . B 30 THR HA . 34087 2 199 . 2 2 30 30 THR HB H 1 4.147 0.003 . 1 . . . . B 30 THR HB . 34087 2 200 . 2 2 30 30 THR HG21 H 1 1.136 0.003 . 1 . . . . B 30 THR HG21 . 34087 2 201 . 2 2 30 30 THR HG22 H 1 1.136 0.003 . 1 . . . . B 30 THR HG22 . 34087 2 202 . 2 2 30 30 THR HG23 H 1 1.136 0.003 . 1 . . . . B 30 THR HG23 . 34087 2 203 . 2 2 31 31 LYS H H 1 8.098 0.003 . 1 . . . . B 31 LYS H . 34087 2 204 . 2 2 31 31 LYS HA H 1 4.323 0.000 . 1 . . . . B 31 LYS HA . 34087 2 205 . 2 2 31 31 LYS HB2 H 1 1.819 0.000 . 2 . . . . B 31 LYS HB2 . 34087 2 206 . 2 2 31 31 LYS HB3 H 1 1.708 0.001 . 2 . . . . B 31 LYS HB3 . 34087 2 207 . 2 2 31 31 LYS HG2 H 1 1.406 0.003 . 2 . . . . B 31 LYS HG2 . 34087 2 208 . 2 2 31 31 LYS HG3 H 1 1.406 0.003 . 2 . . . . B 31 LYS HG3 . 34087 2 209 . 2 2 31 31 LYS HD2 H 1 1.649 0.000 . 2 . . . . B 31 LYS HD2 . 34087 2 210 . 2 2 31 31 LYS HD3 H 1 1.649 0.000 . 2 . . . . B 31 LYS HD3 . 34087 2 211 . 2 2 31 31 LYS HE2 H 1 2.946 0.000 . 2 . . . . B 31 LYS HE2 . 34087 2 212 . 2 2 31 31 LYS HE3 H 1 2.946 0.000 . 2 . . . . B 31 LYS HE3 . 34087 2 213 . 2 2 32 32 ARG H H 1 8.219 0.002 . 1 . . . . B 32 ARG H . 34087 2 214 . 2 2 32 32 ARG HA H 1 4.328 0.000 . 1 . . . . B 32 ARG HA . 34087 2 215 . 2 2 32 32 ARG HB2 H 1 1.884 0.000 . 2 . . . . B 32 ARG HB2 . 34087 2 216 . 2 2 32 32 ARG HB3 H 1 1.739 0.000 . 2 . . . . B 32 ARG HB3 . 34087 2 217 . 2 2 32 32 ARG HG2 H 1 1.609 0.000 . 2 . . . . B 32 ARG HG2 . 34087 2 218 . 2 2 32 32 ARG HG3 H 1 1.609 0.000 . 2 . . . . B 32 ARG HG3 . 34087 2 219 . 2 2 32 32 ARG HD2 H 1 3.157 0.000 . 2 . . . . B 32 ARG HD2 . 34087 2 220 . 2 2 32 32 ARG HD3 H 1 3.157 0.000 . 2 . . . . B 32 ARG HD3 . 34087 2 stop_ save_