################################### # 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 30442 _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' . . . 30442 1 2 '2D 1H-1H NOESY' . . . 30442 1 3 '2D 1H-15N HSQC' . . . 30442 1 4 '2D 1H-13C HSQC' . . . 30442 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 PRO HA H 1 4.395 0.001 . . . . . . A 1 PRO HA . 30442 1 2 . 1 . 1 1 1 PRO HB2 H 1 2.468 0.003 . . . . . . A 1 PRO HB2 . 30442 1 3 . 1 . 1 1 1 PRO HB3 H 1 1.993 0.000 . . . . . . A 1 PRO HB3 . 30442 1 4 . 1 . 1 1 1 PRO HG2 H 1 2.078 0.000 . . . . . . A 1 PRO HG2 . 30442 1 5 . 1 . 1 1 1 PRO HG3 H 1 2.041 0.001 . . . . . . A 1 PRO HG3 . 30442 1 6 . 1 . 1 1 1 PRO HD2 H 1 3.408 0.002 . . . . . . A 1 PRO HD2 . 30442 1 7 . 1 . 1 1 1 PRO HD3 H 1 3.383 0.001 . . . . . . A 1 PRO HD3 . 30442 1 8 . 1 . 1 1 1 PRO CA C 13 62.365 0.000 . . . . . . A 1 PRO CA . 30442 1 9 . 1 . 1 1 1 PRO CB C 13 32.475 0.000 . . . . . . A 1 PRO CB . 30442 1 10 . 1 . 1 2 2 MET H H 1 8.715 0.001 . . . . . . A 2 MET H . 30442 1 11 . 1 . 1 2 2 MET HA H 1 4.472 0.003 . . . . . . A 2 MET HA . 30442 1 12 . 1 . 1 2 2 MET HB2 H 1 2.113 0.001 . . . . . . A 2 MET HB2 . 30442 1 13 . 1 . 1 2 2 MET HB3 H 1 2.036 0.002 . . . . . . A 2 MET HB3 . 30442 1 14 . 1 . 1 2 2 MET HG2 H 1 2.583 0.008 . . . . . . A 2 MET HG2 . 30442 1 15 . 1 . 1 2 2 MET HG3 H 1 2.555 0.001 . . . . . . A 2 MET HG3 . 30442 1 16 . 1 . 1 2 2 MET HE1 H 1 2.065 0.001 . . . . . . A 2 MET HE1 . 30442 1 17 . 1 . 1 2 2 MET HE2 H 1 2.065 0.001 . . . . . . A 2 MET HE2 . 30442 1 18 . 1 . 1 2 2 MET HE3 H 1 2.065 0.001 . . . . . . A 2 MET HE3 . 30442 1 19 . 1 . 1 2 2 MET CA C 13 56.224 0.000 . . . . . . A 2 MET CA . 30442 1 20 . 1 . 1 2 2 MET CB C 13 32.721 0.007 . . . . . . A 2 MET CB . 30442 1 21 . 1 . 1 2 2 MET CG C 13 31.963 0.007 . . . . . . A 2 MET CG . 30442 1 22 . 1 . 1 2 2 MET CE C 13 16.607 0.000 . . . . . . A 2 MET CE . 30442 1 23 . 1 . 1 2 2 MET N N 15 120.110 0.000 . . . . . . A 2 MET N . 30442 1 24 . 1 . 1 3 3 LYS H H 1 8.349 0.002 . . . . . . A 3 LYS H . 30442 1 25 . 1 . 1 3 3 LYS HA H 1 4.135 0.001 . . . . . . A 3 LYS HA . 30442 1 26 . 1 . 1 3 3 LYS HB2 H 1 1.818 0.001 . . . . . . A 3 LYS HB2 . 30442 1 27 . 1 . 1 3 3 LYS HB3 H 1 1.772 0.000 . . . . . . A 3 LYS HB3 . 30442 1 28 . 1 . 1 3 3 LYS HG2 H 1 1.482 0.000 . . . . . . A 3 LYS HG2 . 30442 1 29 . 1 . 1 3 3 LYS HG3 H 1 1.395 0.001 . . . . . . A 3 LYS HG3 . 30442 1 30 . 1 . 1 3 3 LYS HD2 H 1 1.693 0.000 . . . . . . A 3 LYS HD2 . 30442 1 31 . 1 . 1 3 3 LYS HD3 H 1 1.669 0.001 . . . . . . A 3 LYS HD3 . 30442 1 32 . 1 . 1 3 3 LYS HE2 H 1 2.961 0.000 . . . . . . A 3 LYS HE2 . 30442 1 33 . 1 . 1 3 3 LYS HE3 H 1 2.945 0.011 . . . . . . A 3 LYS HE3 . 30442 1 34 . 1 . 1 3 3 LYS CA C 13 57.116 0.000 . . . . . . A 3 LYS CA . 30442 1 35 . 1 . 1 3 3 LYS CB C 13 32.877 0.013 . . . . . . A 3 LYS CB . 30442 1 36 . 1 . 1 3 3 LYS CG C 13 25.166 0.002 . . . . . . A 3 LYS CG . 30442 1 37 . 1 . 1 3 3 LYS CD C 13 29.340 0.003 . . . . . . A 3 LYS CD . 30442 1 38 . 1 . 1 3 3 LYS CE C 13 42.029 0.003 . . . . . . A 3 LYS CE . 30442 1 39 . 1 . 1 3 3 LYS N N 15 122.340 0.000 . . . . . . A 3 LYS N . 30442 1 40 . 1 . 1 4 4 LYS H H 1 8.046 0.002 . . . . . . A 4 LYS H . 30442 1 41 . 1 . 1 4 4 LYS HA H 1 4.137 0.000 . . . . . . A 4 LYS HA . 30442 1 42 . 1 . 1 4 4 LYS HB2 H 1 1.807 0.000 . . . . . . A 4 LYS HB2 . 30442 1 43 . 1 . 1 4 4 LYS HB3 H 1 1.758 0.001 . . . . . . A 4 LYS HB3 . 30442 1 44 . 1 . 1 4 4 LYS HG2 H 1 1.373 0.000 . . . . . . A 4 LYS HG2 . 30442 1 45 . 1 . 1 4 4 LYS HG3 H 1 1.471 0.000 . . . . . . A 4 LYS HG3 . 30442 1 46 . 1 . 1 4 4 LYS HD2 H 1 1.680 0.000 . . . . . . A 4 LYS HD2 . 30442 1 47 . 1 . 1 4 4 LYS HD3 H 1 1.655 0.000 . . . . . . A 4 LYS HD3 . 30442 1 48 . 1 . 1 4 4 LYS HE2 H 1 2.926 0.009 . . . . . . A 4 LYS HE2 . 30442 1 49 . 1 . 1 4 4 LYS HE3 H 1 2.955 0.011 . . . . . . A 4 LYS HE3 . 30442 1 50 . 1 . 1 4 4 LYS CA C 13 57.246 0.000 . . . . . . A 4 LYS CA . 30442 1 51 . 1 . 1 4 4 LYS CB C 13 32.648 0.003 . . . . . . A 4 LYS CB . 30442 1 52 . 1 . 1 4 4 LYS CG C 13 25.295 0.006 . . . . . . A 4 LYS CG . 30442 1 53 . 1 . 1 4 4 LYS CD C 13 29.123 0.002 . . . . . . A 4 LYS CD . 30442 1 54 . 1 . 1 4 4 LYS CE C 13 42.154 0.004 . . . . . . A 4 LYS CE . 30442 1 55 . 1 . 1 4 4 LYS N N 15 119.380 0.000 . . . . . . A 4 LYS N . 30442 1 56 . 1 . 1 5 5 LEU H H 1 7.585 0.002 . . . . . . A 5 LEU H . 30442 1 57 . 1 . 1 5 5 LEU HA H 1 4.162 0.001 . . . . . . A 5 LEU HA . 30442 1 58 . 1 . 1 5 5 LEU HB2 H 1 1.677 0.000 . . . . . . A 5 LEU HB2 . 30442 1 59 . 1 . 1 5 5 LEU HB3 H 1 1.655 0.000 . . . . . . A 5 LEU HB3 . 30442 1 60 . 1 . 1 5 5 LEU HG H 1 1.593 0.001 . . . . . . A 5 LEU HG . 30442 1 61 . 1 . 1 5 5 LEU HD11 H 1 0.903 0.002 . . . . . . A 5 LEU HD11 . 30442 1 62 . 1 . 1 5 5 LEU HD12 H 1 0.903 0.002 . . . . . . A 5 LEU HD12 . 30442 1 63 . 1 . 1 5 5 LEU HD13 H 1 0.903 0.002 . . . . . . A 5 LEU HD13 . 30442 1 64 . 1 . 1 5 5 LEU HD21 H 1 0.860 0.001 . . . . . . A 5 LEU HD21 . 30442 1 65 . 1 . 1 5 5 LEU HD22 H 1 0.860 0.001 . . . . . . A 5 LEU HD22 . 30442 1 66 . 1 . 1 5 5 LEU HD23 H 1 0.860 0.001 . . . . . . A 5 LEU HD23 . 30442 1 67 . 1 . 1 5 5 LEU CA C 13 57.019 0.000 . . . . . . A 5 LEU CA . 30442 1 68 . 1 . 1 5 5 LEU CB C 13 42.064 0.007 . . . . . . A 5 LEU CB . 30442 1 69 . 1 . 1 5 5 LEU CG C 13 27.073 0.000 . . . . . . A 5 LEU CG . 30442 1 70 . 1 . 1 5 5 LEU CD1 C 13 23.580 0.000 . . . . . . A 5 LEU CD1 . 30442 1 71 . 1 . 1 5 5 LEU CD2 C 13 24.436 0.000 . . . . . . A 5 LEU CD2 . 30442 1 72 . 1 . 1 5 5 LEU N N 15 120.494 0.000 . . . . . . A 5 LEU N . 30442 1 73 . 1 . 1 6 6 LYS H H 1 7.849 0.001 . . . . . . A 6 LYS H . 30442 1 74 . 1 . 1 6 6 LYS HA H 1 3.979 0.002 . . . . . . A 6 LYS HA . 30442 1 75 . 1 . 1 6 6 LYS HB2 H 1 1.841 0.001 . . . . . . A 6 LYS HB2 . 30442 1 76 . 1 . 1 6 6 LYS HB3 H 1 1.794 0.000 . . . . . . A 6 LYS HB3 . 30442 1 77 . 1 . 1 6 6 LYS HG2 H 1 1.372 0.001 . . . . . . A 6 LYS HG2 . 30442 1 78 . 1 . 1 6 6 LYS HG3 H 1 1.511 0.000 . . . . . . A 6 LYS HG3 . 30442 1 79 . 1 . 1 6 6 LYS HD2 H 1 1.666 0.001 . . . . . . A 6 LYS HD2 . 30442 1 80 . 1 . 1 6 6 LYS HD3 H 1 1.646 0.000 . . . . . . A 6 LYS HD3 . 30442 1 81 . 1 . 1 6 6 LYS CA C 13 59.107 0.000 . . . . . . A 6 LYS CA . 30442 1 82 . 1 . 1 6 6 LYS CB C 13 32.398 0.005 . . . . . . A 6 LYS CB . 30442 1 83 . 1 . 1 6 6 LYS CG C 13 25.462 0.000 . . . . . . A 6 LYS CG . 30442 1 84 . 1 . 1 6 6 LYS CD C 13 28.779 0.000 . . . . . . A 6 LYS CD . 30442 1 85 . 1 . 1 6 6 LYS N N 15 117.476 0.000 . . . . . . A 6 LYS N . 30442 1 86 . 1 . 1 7 7 LEU H H 1 7.567 0.004 . . . . . . A 7 LEU H . 30442 1 87 . 1 . 1 7 7 LEU HA H 1 4.118 0.000 . . . . . . A 7 LEU HA . 30442 1 88 . 1 . 1 7 7 LEU HB2 H 1 1.689 0.000 . . . . . . A 7 LEU HB2 . 30442 1 89 . 1 . 1 7 7 LEU HB3 H 1 1.665 0.001 . . . . . . A 7 LEU HB3 . 30442 1 90 . 1 . 1 7 7 LEU HG H 1 1.619 0.001 . . . . . . A 7 LEU HG . 30442 1 91 . 1 . 1 7 7 LEU HD11 H 1 0.893 0.001 . . . . . . A 7 LEU HD11 . 30442 1 92 . 1 . 1 7 7 LEU HD12 H 1 0.893 0.001 . . . . . . A 7 LEU HD12 . 30442 1 93 . 1 . 1 7 7 LEU HD13 H 1 0.893 0.001 . . . . . . A 7 LEU HD13 . 30442 1 94 . 1 . 1 7 7 LEU HD21 H 1 0.848 0.001 . . . . . . A 7 LEU HD21 . 30442 1 95 . 1 . 1 7 7 LEU HD22 H 1 0.848 0.001 . . . . . . A 7 LEU HD22 . 30442 1 96 . 1 . 1 7 7 LEU HD23 H 1 0.848 0.001 . . . . . . A 7 LEU HD23 . 30442 1 97 . 1 . 1 7 7 LEU N N 15 119.109 0.000 . . . . . . A 7 LEU N . 30442 1 98 . 1 . 1 8 8 ALA H H 1 7.964 0.001 . . . . . . A 8 ALA H . 30442 1 99 . 1 . 1 8 8 ALA HA H 1 4.025 0.002 . . . . . . A 8 ALA HA . 30442 1 100 . 1 . 1 8 8 ALA HB1 H 1 1.443 0.001 . . . . . . A 8 ALA HB1 . 30442 1 101 . 1 . 1 8 8 ALA HB2 H 1 1.443 0.001 . . . . . . A 8 ALA HB2 . 30442 1 102 . 1 . 1 8 8 ALA HB3 H 1 1.443 0.001 . . . . . . A 8 ALA HB3 . 30442 1 103 . 1 . 1 8 8 ALA CA C 13 54.890 0.000 . . . . . . A 8 ALA CA . 30442 1 104 . 1 . 1 8 8 ALA CB C 13 17.755 0.000 . . . . . . A 8 ALA CB . 30442 1 105 . 1 . 1 8 8 ALA N N 15 121.567 0.000 . . . . . . A 8 ALA N . 30442 1 106 . 1 . 1 9 9 LEU H H 1 8.030 0.001 . . . . . . A 9 LEU H . 30442 1 107 . 1 . 1 9 9 LEU HA H 1 4.085 0.000 . . . . . . A 9 LEU HA . 30442 1 108 . 1 . 1 9 9 LEU HB2 H 1 1.787 0.000 . . . . . . A 9 LEU HB2 . 30442 1 109 . 1 . 1 9 9 LEU HB3 H 1 1.764 0.000 . . . . . . A 9 LEU HB3 . 30442 1 110 . 1 . 1 9 9 LEU HG H 1 1.567 0.001 . . . . . . A 9 LEU HG . 30442 1 111 . 1 . 1 9 9 LEU HD11 H 1 0.846 0.000 . . . . . . A 9 LEU HD11 . 30442 1 112 . 1 . 1 9 9 LEU HD12 H 1 0.846 0.000 . . . . . . A 9 LEU HD12 . 30442 1 113 . 1 . 1 9 9 LEU HD13 H 1 0.846 0.000 . . . . . . A 9 LEU HD13 . 30442 1 114 . 1 . 1 9 9 LEU HD21 H 1 0.811 0.000 . . . . . . A 9 LEU HD21 . 30442 1 115 . 1 . 1 9 9 LEU HD22 H 1 0.811 0.000 . . . . . . A 9 LEU HD22 . 30442 1 116 . 1 . 1 9 9 LEU HD23 H 1 0.811 0.000 . . . . . . A 9 LEU HD23 . 30442 1 117 . 1 . 1 9 9 LEU CA C 13 57.406 0.000 . . . . . . A 9 LEU CA . 30442 1 118 . 1 . 1 9 9 LEU CB C 13 41.817 0.003 . . . . . . A 9 LEU CB . 30442 1 119 . 1 . 1 9 9 LEU CG C 13 27.090 0.000 . . . . . . A 9 LEU CG . 30442 1 120 . 1 . 1 9 9 LEU CD1 C 13 23.751 0.000 . . . . . . A 9 LEU CD1 . 30442 1 121 . 1 . 1 9 9 LEU CD2 C 13 22.469 0.000 . . . . . . A 9 LEU CD2 . 30442 1 122 . 1 . 1 9 9 LEU N N 15 117.021 0.000 . . . . . . A 9 LEU N . 30442 1 123 . 1 . 1 10 10 ARG H H 1 7.721 0.001 . . . . . . A 10 ARG H . 30442 1 124 . 1 . 1 10 10 ARG HA H 1 4.088 0.000 . . . . . . A 10 ARG HA . 30442 1 125 . 1 . 1 10 10 ARG HB2 H 1 1.946 0.003 . . . . . . A 10 ARG HB2 . 30442 1 126 . 1 . 1 10 10 ARG HB3 H 1 1.741 0.001 . . . . . . A 10 ARG HB3 . 30442 1 127 . 1 . 1 10 10 ARG HG2 H 1 1.664 0.001 . . . . . . A 10 ARG HG2 . 30442 1 128 . 1 . 1 10 10 ARG HG3 H 1 1.633 0.003 . . . . . . A 10 ARG HG3 . 30442 1 129 . 1 . 1 10 10 ARG HD2 H 1 3.152 0.007 . . . . . . A 10 ARG HD2 . 30442 1 130 . 1 . 1 10 10 ARG HD3 H 1 3.113 0.001 . . . . . . A 10 ARG HD3 . 30442 1 131 . 1 . 1 10 10 ARG HE H 1 7.157 0.001 . . . . . . A 10 ARG HE . 30442 1 132 . 1 . 1 10 10 ARG CA C 13 58.379 0.000 . . . . . . A 10 ARG CA . 30442 1 133 . 1 . 1 10 10 ARG CB C 13 29.730 0.015 . . . . . . A 10 ARG CB . 30442 1 134 . 1 . 1 10 10 ARG CG C 13 27.171 0.003 . . . . . . A 10 ARG CG . 30442 1 135 . 1 . 1 10 10 ARG CD C 13 43.139 0.000 . . . . . . A 10 ARG CD . 30442 1 136 . 1 . 1 10 10 ARG N N 15 118.646 0.000 . . . . . . A 10 ARG N . 30442 1 137 . 1 . 1 11 11 LEU H H 1 8.030 0.000 . . . . . . A 11 LEU H . 30442 1 138 . 1 . 1 11 11 LEU HA H 1 4.155 0.000 . . . . . . A 11 LEU HA . 30442 1 139 . 1 . 1 11 11 LEU HB2 H 1 1.808 0.000 . . . . . . A 11 LEU HB2 . 30442 1 140 . 1 . 1 11 11 LEU HB3 H 1 1.777 0.001 . . . . . . A 11 LEU HB3 . 30442 1 141 . 1 . 1 11 11 LEU HG H 1 1.570 0.004 . . . . . . A 11 LEU HG . 30442 1 142 . 1 . 1 11 11 LEU HD11 H 1 0.837 0.000 . . . . . . A 11 LEU HD11 . 30442 1 143 . 1 . 1 11 11 LEU HD12 H 1 0.837 0.000 . . . . . . A 11 LEU HD12 . 30442 1 144 . 1 . 1 11 11 LEU HD13 H 1 0.837 0.000 . . . . . . A 11 LEU HD13 . 30442 1 145 . 1 . 1 11 11 LEU HD21 H 1 0.819 0.000 . . . . . . A 11 LEU HD21 . 30442 1 146 . 1 . 1 11 11 LEU HD22 H 1 0.819 0.000 . . . . . . A 11 LEU HD22 . 30442 1 147 . 1 . 1 11 11 LEU HD23 H 1 0.819 0.000 . . . . . . A 11 LEU HD23 . 30442 1 148 . 1 . 1 11 11 LEU CA C 13 56.853 0.000 . . . . . . A 11 LEU CA . 30442 1 149 . 1 . 1 11 11 LEU CB C 13 42.060 0.009 . . . . . . A 11 LEU CB . 30442 1 150 . 1 . 1 11 11 LEU CG C 13 26.949 0.000 . . . . . . A 11 LEU CG . 30442 1 151 . 1 . 1 11 11 LEU CD1 C 13 24.452 0.000 . . . . . . A 11 LEU CD1 . 30442 1 152 . 1 . 1 11 11 LEU CD2 C 13 22.666 0.000 . . . . . . A 11 LEU CD2 . 30442 1 153 . 1 . 1 11 11 LEU N N 15 119.603 0.000 . . . . . . A 11 LEU N . 30442 1 154 . 1 . 1 12 12 ALA H H 1 8.055 0.001 . . . . . . A 12 ALA H . 30442 1 155 . 1 . 1 12 12 ALA HA H 1 4.091 0.001 . . . . . . A 12 ALA HA . 30442 1 156 . 1 . 1 12 12 ALA HB1 H 1 1.426 0.000 . . . . . . A 12 ALA HB1 . 30442 1 157 . 1 . 1 12 12 ALA HB2 H 1 1.426 0.000 . . . . . . A 12 ALA HB2 . 30442 1 158 . 1 . 1 12 12 ALA HB3 H 1 1.426 0.000 . . . . . . A 12 ALA HB3 . 30442 1 159 . 1 . 1 12 12 ALA CA C 13 54.045 0.000 . . . . . . A 12 ALA CA . 30442 1 160 . 1 . 1 12 12 ALA CB C 13 18.383 0.000 . . . . . . A 12 ALA CB . 30442 1 161 . 1 . 1 12 12 ALA N N 15 121.331 0.000 . . . . . . A 12 ALA N . 30442 1 162 . 1 . 1 13 13 ALA H H 1 7.679 0.001 . . . . . . A 13 ALA H . 30442 1 163 . 1 . 1 13 13 ALA HA H 1 4.171 0.001 . . . . . . A 13 ALA HA . 30442 1 164 . 1 . 1 13 13 ALA HB1 H 1 1.436 0.000 . . . . . . A 13 ALA HB1 . 30442 1 165 . 1 . 1 13 13 ALA HB2 H 1 1.436 0.000 . . . . . . A 13 ALA HB2 . 30442 1 166 . 1 . 1 13 13 ALA HB3 H 1 1.436 0.000 . . . . . . A 13 ALA HB3 . 30442 1 167 . 1 . 1 13 13 ALA CA C 13 53.306 0.000 . . . . . . A 13 ALA CA . 30442 1 168 . 1 . 1 13 13 ALA CB C 13 18.102 0.000 . . . . . . A 13 ALA CB . 30442 1 169 . 1 . 1 13 13 ALA N N 15 120.469 0.000 . . . . . . A 13 ALA N . 30442 1 170 . 1 . 1 14 14 LYS H H 1 7.753 0.001 . . . . . . A 14 LYS H . 30442 1 171 . 1 . 1 14 14 LYS HA H 1 4.231 0.001 . . . . . . A 14 LYS HA . 30442 1 172 . 1 . 1 14 14 LYS HB2 H 1 1.921 0.001 . . . . . . A 14 LYS HB2 . 30442 1 173 . 1 . 1 14 14 LYS HB3 H 1 1.864 0.001 . . . . . . A 14 LYS HB3 . 30442 1 174 . 1 . 1 14 14 LYS HG2 H 1 1.482 0.001 . . . . . . A 14 LYS HG2 . 30442 1 175 . 1 . 1 14 14 LYS HG3 H 1 1.420 0.000 . . . . . . A 14 LYS HG3 . 30442 1 176 . 1 . 1 14 14 LYS HD2 H 1 1.676 0.000 . . . . . . A 14 LYS HD2 . 30442 1 177 . 1 . 1 14 14 LYS HD3 H 1 1.644 0.001 . . . . . . A 14 LYS HD3 . 30442 1 178 . 1 . 1 14 14 LYS HE2 H 1 2.968 0.000 . . . . . . A 14 LYS HE2 . 30442 1 179 . 1 . 1 14 14 LYS HE3 H 1 2.935 0.000 . . . . . . A 14 LYS HE3 . 30442 1 180 . 1 . 1 14 14 LYS CA C 13 56.735 0.000 . . . . . . A 14 LYS CA . 30442 1 181 . 1 . 1 14 14 LYS CB C 13 32.508 0.009 . . . . . . A 14 LYS CB . 30442 1 182 . 1 . 1 14 14 LYS CG C 13 24.884 0.004 . . . . . . A 14 LYS CG . 30442 1 183 . 1 . 1 14 14 LYS CD C 13 29.547 0.004 . . . . . . A 14 LYS CD . 30442 1 184 . 1 . 1 14 14 LYS CE C 13 42.257 0.006 . . . . . . A 14 LYS CE . 30442 1 185 . 1 . 1 14 14 LYS N N 15 116.753 0.000 . . . . . . A 14 LYS N . 30442 1 186 . 1 . 1 15 15 ILE H H 1 7.655 0.001 . . . . . . A 15 ILE H . 30442 1 187 . 1 . 1 15 15 ILE HA H 1 4.163 0.000 . . . . . . A 15 ILE HA . 30442 1 188 . 1 . 1 15 15 ILE HB H 1 1.856 0.001 . . . . . . A 15 ILE HB . 30442 1 189 . 1 . 1 15 15 ILE HG12 H 1 1.149 0.004 . . . . . . A 15 ILE HG12 . 30442 1 190 . 1 . 1 15 15 ILE HG21 H 1 0.865 0.001 . . . . . . A 15 ILE HG21 . 30442 1 191 . 1 . 1 15 15 ILE HG22 H 1 0.865 0.001 . . . . . . A 15 ILE HG22 . 30442 1 192 . 1 . 1 15 15 ILE HG23 H 1 0.865 0.001 . . . . . . A 15 ILE HG23 . 30442 1 193 . 1 . 1 15 15 ILE HD11 H 1 0.804 0.001 . . . . . . A 15 ILE HD11 . 30442 1 194 . 1 . 1 15 15 ILE HD12 H 1 0.804 0.001 . . . . . . A 15 ILE HD12 . 30442 1 195 . 1 . 1 15 15 ILE HD13 H 1 0.804 0.001 . . . . . . A 15 ILE HD13 . 30442 1 196 . 1 . 1 15 15 ILE CA C 13 61.310 0.000 . . . . . . A 15 ILE CA . 30442 1 197 . 1 . 1 15 15 ILE CB C 13 39.080 0.000 . . . . . . A 15 ILE CB . 30442 1 198 . 1 . 1 15 15 ILE CG1 C 13 26.973 0.000 . . . . . . A 15 ILE CG1 . 30442 1 199 . 1 . 1 15 15 ILE CG2 C 13 17.133 0.000 . . . . . . A 15 ILE CG2 . 30442 1 200 . 1 . 1 15 15 ILE CD1 C 13 12.629 0.000 . . . . . . A 15 ILE CD1 . 30442 1 201 . 1 . 1 15 15 ILE N N 15 117.210 0.000 . . . . . . A 15 ILE N . 30442 1 202 . 1 . 1 16 16 ALA H H 1 7.861 0.002 . . . . . . A 16 ALA H . 30442 1 203 . 1 . 1 16 16 ALA HA H 1 4.526 0.002 . . . . . . A 16 ALA HA . 30442 1 204 . 1 . 1 16 16 ALA HB1 H 1 1.310 0.001 . . . . . . A 16 ALA HB1 . 30442 1 205 . 1 . 1 16 16 ALA HB2 H 1 1.310 0.001 . . . . . . A 16 ALA HB2 . 30442 1 206 . 1 . 1 16 16 ALA HB3 H 1 1.310 0.001 . . . . . . A 16 ALA HB3 . 30442 1 207 . 1 . 1 16 16 ALA CA C 13 50.630 0.000 . . . . . . A 16 ALA CA . 30442 1 208 . 1 . 1 16 16 ALA CB C 13 18.283 0.000 . . . . . . A 16 ALA CB . 30442 1 209 . 1 . 1 16 16 ALA N N 15 126.219 0.000 . . . . . . A 16 ALA N . 30442 1 210 . 1 . 1 17 17 PRO HA H 1 4.340 0.002 . . . . . . A 17 PRO HA . 30442 1 211 . 1 . 1 17 17 PRO HB2 H 1 2.016 0.001 . . . . . . A 17 PRO HB2 . 30442 1 212 . 1 . 1 17 17 PRO HB3 H 1 1.706 0.004 . . . . . . A 17 PRO HB3 . 30442 1 213 . 1 . 1 17 17 PRO HG2 H 1 1.923 0.001 . . . . . . A 17 PRO HG2 . 30442 1 214 . 1 . 1 17 17 PRO HG3 H 1 1.906 0.001 . . . . . . A 17 PRO HG3 . 30442 1 215 . 1 . 1 17 17 PRO HD2 H 1 3.667 0.003 . . . . . . A 17 PRO HD2 . 30442 1 216 . 1 . 1 17 17 PRO HD3 H 1 3.538 0.002 . . . . . . A 17 PRO HD3 . 30442 1 217 . 1 . 1 17 17 PRO CA C 13 63.180 0.000 . . . . . . A 17 PRO CA . 30442 1 218 . 1 . 1 17 17 PRO CB C 13 31.274 0.000 . . . . . . A 17 PRO CB . 30442 1 219 . 1 . 1 18 18 VAL H H 1 7.501 0.002 . . . . . . A 18 VAL H . 30442 1 220 . 1 . 1 18 18 VAL HA H 1 4.050 0.001 . . . . . . A 18 VAL HA . 30442 1 221 . 1 . 1 18 18 VAL HB H 1 1.982 0.000 . . . . . . A 18 VAL HB . 30442 1 222 . 1 . 1 18 18 VAL HG11 H 1 0.821 0.000 . . . . . . A 18 VAL HG11 . 30442 1 223 . 1 . 1 18 18 VAL HG12 H 1 0.821 0.000 . . . . . . A 18 VAL HG12 . 30442 1 224 . 1 . 1 18 18 VAL HG13 H 1 0.821 0.000 . . . . . . A 18 VAL HG13 . 30442 1 225 . 1 . 1 18 18 VAL HG21 H 1 0.800 0.001 . . . . . . A 18 VAL HG21 . 30442 1 226 . 1 . 1 18 18 VAL HG22 H 1 0.800 0.001 . . . . . . A 18 VAL HG22 . 30442 1 227 . 1 . 1 18 18 VAL HG23 H 1 0.800 0.001 . . . . . . A 18 VAL HG23 . 30442 1 228 . 1 . 1 18 18 VAL CA C 13 61.831 0.000 . . . . . . A 18 VAL CA . 30442 1 229 . 1 . 1 18 18 VAL CB C 13 32.977 0.000 . . . . . . A 18 VAL CB . 30442 1 230 . 1 . 1 18 18 VAL CG1 C 13 20.789 0.000 . . . . . . A 18 VAL CG1 . 30442 1 231 . 1 . 1 18 18 VAL CG2 C 13 19.690 0.000 . . . . . . A 18 VAL CG2 . 30442 1 232 . 1 . 1 18 18 VAL N N 15 116.772 0.000 . . . . . . A 18 VAL N . 30442 1 233 . 1 . 1 19 19 TRP H H 1 7.598 0.002 . . . . . . A 19 TRP H . 30442 1 234 . 1 . 1 19 19 TRP HA H 1 4.678 0.002 . . . . . . A 19 TRP HA . 30442 1 235 . 1 . 1 19 19 TRP HB2 H 1 3.311 0.001 . . . . . . A 19 TRP HB2 . 30442 1 236 . 1 . 1 19 19 TRP HB3 H 1 3.219 0.000 . . . . . . A 19 TRP HB3 . 30442 1 237 . 1 . 1 19 19 TRP HD1 H 1 7.149 0.000 . . . . . . A 19 TRP HD1 . 30442 1 238 . 1 . 1 19 19 TRP HE3 H 1 7.602 0.000 . . . . . . A 19 TRP HE3 . 30442 1 239 . 1 . 1 19 19 TRP HZ2 H 1 7.076 0.000 . . . . . . A 19 TRP HZ2 . 30442 1 240 . 1 . 1 19 19 TRP HZ3 H 1 7.149 0.001 . . . . . . A 19 TRP HZ3 . 30442 1 241 . 1 . 1 19 19 TRP HH2 H 1 7.404 0.000 . . . . . . A 19 TRP HH2 . 30442 1 242 . 1 . 1 19 19 TRP CA C 13 56.478 0.000 . . . . . . A 19 TRP CA . 30442 1 243 . 1 . 1 19 19 TRP CB C 13 29.598 0.025 . . . . . . A 19 TRP CB . 30442 1 244 . 1 . 1 19 19 TRP N N 15 123.963 0.000 . . . . . . A 19 TRP N . 30442 1 stop_ save_