################################### # 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 30440 _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' . . . 30440 1 2 '2D 1H-1H NOESY' . . . 30440 1 3 '2D 1H-15N HSQC' . . . 30440 1 4 '2D 1H-13C HSQC' . . . 30440 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 4.382 0.002 . . . . . . A 1 PRO HA . 30440 1 2 . 1 . 1 1 1 PRO HB2 H 1 2.459 0.005 . . . . . . A 1 PRO HB2 . 30440 1 3 . 1 . 1 1 1 PRO HB3 H 1 1.980 0.000 . . . . . . A 1 PRO HB3 . 30440 1 4 . 1 . 1 1 1 PRO HG2 H 1 2.052 0.000 . . . . . . A 1 PRO HG2 . 30440 1 5 . 1 . 1 1 1 PRO HG3 H 1 2.011 0.001 . . . . . . A 1 PRO HG3 . 30440 1 6 . 1 . 1 1 1 PRO HD2 H 1 3.398 0.001 . . . . . . A 1 PRO HD2 . 30440 1 7 . 1 . 1 1 1 PRO HD3 H 1 3.381 0.001 . . . . . . A 1 PRO HD3 . 30440 1 8 . 1 . 1 1 1 PRO CA C 13 62.293 0.000 . . . . . . A 1 PRO CA . 30440 1 9 . 1 . 1 1 1 PRO CB C 13 32.463 0.000 . . . . . . A 1 PRO CB . 30440 1 10 . 1 . 1 2 2 MET H H 1 8.645 0.002 . . . . . . A 2 MET H . 30440 1 11 . 1 . 1 2 2 MET HA H 1 4.454 0.002 . . . . . . A 2 MET HA . 30440 1 12 . 1 . 1 2 2 MET HB2 H 1 2.079 0.000 . . . . . . A 2 MET HB2 . 30440 1 13 . 1 . 1 2 2 MET HB3 H 1 2.015 0.002 . . . . . . A 2 MET HB3 . 30440 1 14 . 1 . 1 2 2 MET HG2 H 1 2.595 0.001 . . . . . . A 2 MET HG2 . 30440 1 15 . 1 . 1 2 2 MET HG3 H 1 2.555 0.002 . . . . . . A 2 MET HG3 . 30440 1 16 . 1 . 1 2 2 MET HE1 H 1 2.050 0.004 . . . . . . A 2 MET HE1 . 30440 1 17 . 1 . 1 2 2 MET HE2 H 1 2.050 0.004 . . . . . . A 2 MET HE2 . 30440 1 18 . 1 . 1 2 2 MET HE3 H 1 2.050 0.004 . . . . . . A 2 MET HE3 . 30440 1 19 . 1 . 1 2 2 MET CA C 13 56.224 0.000 . . . . . . A 2 MET CA . 30440 1 20 . 1 . 1 2 2 MET CB C 13 32.640 0.054 . . . . . . A 2 MET CB . 30440 1 21 . 1 . 1 2 2 MET CG C 13 31.922 0.005 . . . . . . A 2 MET CG . 30440 1 22 . 1 . 1 2 2 MET CE C 13 16.487 0.000 . . . . . . A 2 MET CE . 30440 1 23 . 1 . 1 2 2 MET N N 15 120.280 0.000 . . . . . . A 2 MET N . 30440 1 24 . 1 . 1 3 3 ALA H H 1 8.253 0.003 . . . . . . A 3 ALA H . 30440 1 25 . 1 . 1 3 3 ALA HA H 1 4.162 0.002 . . . . . . A 3 ALA HA . 30440 1 26 . 1 . 1 3 3 ALA HB1 H 1 1.390 0.002 . . . . . . A 3 ALA HB1 . 30440 1 27 . 1 . 1 3 3 ALA HB2 H 1 1.390 0.002 . . . . . . A 3 ALA HB2 . 30440 1 28 . 1 . 1 3 3 ALA HB3 H 1 1.390 0.002 . . . . . . A 3 ALA HB3 . 30440 1 29 . 1 . 1 3 3 ALA CA C 13 53.859 0.000 . . . . . . A 3 ALA CA . 30440 1 30 . 1 . 1 3 3 ALA CB C 13 18.628 0.000 . . . . . . A 3 ALA CB . 30440 1 31 . 1 . 1 3 3 ALA N N 15 124.396 0.000 . . . . . . A 3 ALA N . 30440 1 32 . 1 . 1 4 4 LYS H H 1 7.907 0.001 . . . . . . A 4 LYS H . 30440 1 33 . 1 . 1 4 4 LYS HA H 1 4.195 0.002 . . . . . . A 4 LYS HA . 30440 1 34 . 1 . 1 4 4 LYS HB2 H 1 1.838 0.010 . . . . . . A 4 LYS HB2 . 30440 1 35 . 1 . 1 4 4 LYS HB3 H 1 1.750 0.005 . . . . . . A 4 LYS HB3 . 30440 1 36 . 1 . 1 4 4 LYS HG2 H 1 1.435 0.001 . . . . . . A 4 LYS HG2 . 30440 1 37 . 1 . 1 4 4 LYS HG3 H 1 1.397 0.001 . . . . . . A 4 LYS HG3 . 30440 1 38 . 1 . 1 4 4 LYS HD2 H 1 1.695 0.001 . . . . . . A 4 LYS HD2 . 30440 1 39 . 1 . 1 4 4 LYS HD3 H 1 1.665 0.000 . . . . . . A 4 LYS HD3 . 30440 1 40 . 1 . 1 4 4 LYS HE2 H 1 2.968 0.001 . . . . . . A 4 LYS HE2 . 30440 1 41 . 1 . 1 4 4 LYS HE3 H 1 2.944 0.001 . . . . . . A 4 LYS HE3 . 30440 1 42 . 1 . 1 4 4 LYS CA C 13 57.153 0.000 . . . . . . A 4 LYS CA . 30440 1 43 . 1 . 1 4 4 LYS CB C 13 32.679 0.024 . . . . . . A 4 LYS CB . 30440 1 44 . 1 . 1 4 4 LYS CG C 13 25.205 0.008 . . . . . . A 4 LYS CG . 30440 1 45 . 1 . 1 4 4 LYS CD C 13 29.080 0.000 . . . . . . A 4 LYS CD . 30440 1 46 . 1 . 1 4 4 LYS CE C 13 42.170 0.000 . . . . . . A 4 LYS CE . 30440 1 47 . 1 . 1 4 4 LYS N N 15 116.497 0.000 . . . . . . A 4 LYS N . 30440 1 48 . 1 . 1 5 5 LEU H H 1 7.705 0.001 . . . . . . A 5 LEU H . 30440 1 49 . 1 . 1 5 5 LEU HA H 1 4.343 0.004 . . . . . . A 5 LEU HA . 30440 1 50 . 1 . 1 5 5 LEU HB2 H 1 1.646 0.000 . . . . . . A 5 LEU HB2 . 30440 1 51 . 1 . 1 5 5 LEU HB3 H 1 1.635 0.001 . . . . . . A 5 LEU HB3 . 30440 1 52 . 1 . 1 5 5 LEU HG H 1 1.617 0.000 . . . . . . A 5 LEU HG . 30440 1 53 . 1 . 1 5 5 LEU HD11 H 1 0.904 0.001 . . . . . . A 5 LEU HD11 . 30440 1 54 . 1 . 1 5 5 LEU HD12 H 1 0.904 0.001 . . . . . . A 5 LEU HD12 . 30440 1 55 . 1 . 1 5 5 LEU HD13 H 1 0.904 0.001 . . . . . . A 5 LEU HD13 . 30440 1 56 . 1 . 1 5 5 LEU HD21 H 1 0.841 0.000 . . . . . . A 5 LEU HD21 . 30440 1 57 . 1 . 1 5 5 LEU HD22 H 1 0.841 0.000 . . . . . . A 5 LEU HD22 . 30440 1 58 . 1 . 1 5 5 LEU HD23 H 1 0.841 0.000 . . . . . . A 5 LEU HD23 . 30440 1 59 . 1 . 1 5 5 LEU CA C 13 55.493 0.000 . . . . . . A 5 LEU CA . 30440 1 60 . 1 . 1 5 5 LEU CB C 13 42.954 0.001 . . . . . . A 5 LEU CB . 30440 1 61 . 1 . 1 5 5 LEU CG C 13 27.212 0.000 . . . . . . A 5 LEU CG . 30440 1 62 . 1 . 1 5 5 LEU CD1 C 13 24.120 0.000 . . . . . . A 5 LEU CD1 . 30440 1 63 . 1 . 1 5 5 LEU CD2 C 13 23.174 0.000 . . . . . . A 5 LEU CD2 . 30440 1 64 . 1 . 1 5 5 LEU N N 15 122.029 0.000 . . . . . . A 5 LEU N . 30440 1 65 . 1 . 1 6 6 LEU H H 1 7.675 0.002 . . . . . . A 6 LEU H . 30440 1 66 . 1 . 1 6 6 LEU HA H 1 4.291 0.002 . . . . . . A 6 LEU HA . 30440 1 67 . 1 . 1 6 6 LEU HB2 H 1 1.769 0.001 . . . . . . A 6 LEU HB2 . 30440 1 68 . 1 . 1 6 6 LEU HB3 H 1 1.734 0.003 . . . . . . A 6 LEU HB3 . 30440 1 69 . 1 . 1 6 6 LEU HG H 1 1.625 0.000 . . . . . . A 6 LEU HG . 30440 1 70 . 1 . 1 6 6 LEU HD11 H 1 0.939 0.003 . . . . . . A 6 LEU HD11 . 30440 1 71 . 1 . 1 6 6 LEU HD12 H 1 0.939 0.003 . . . . . . A 6 LEU HD12 . 30440 1 72 . 1 . 1 6 6 LEU HD13 H 1 0.939 0.003 . . . . . . A 6 LEU HD13 . 30440 1 73 . 1 . 1 6 6 LEU HD21 H 1 0.879 0.001 . . . . . . A 6 LEU HD21 . 30440 1 74 . 1 . 1 6 6 LEU HD22 H 1 0.879 0.001 . . . . . . A 6 LEU HD22 . 30440 1 75 . 1 . 1 6 6 LEU HD23 H 1 0.879 0.001 . . . . . . A 6 LEU HD23 . 30440 1 76 . 1 . 1 6 6 LEU CA C 13 55.809 0.000 . . . . . . A 6 LEU CA . 30440 1 77 . 1 . 1 6 6 LEU CB C 13 40.220 0.004 . . . . . . A 6 LEU CB . 30440 1 78 . 1 . 1 6 6 LEU CG C 13 27.251 0.000 . . . . . . A 6 LEU CG . 30440 1 79 . 1 . 1 6 6 LEU CD1 C 13 24.112 0.000 . . . . . . A 6 LEU CD1 . 30440 1 80 . 1 . 1 6 6 LEU CD2 C 13 23.086 0.000 . . . . . . A 6 LEU CD2 . 30440 1 81 . 1 . 1 6 6 LEU N N 15 120.409 0.000 . . . . . . A 6 LEU N . 30440 1 82 . 1 . 1 7 7 PRO HA H 1 4.217 0.004 . . . . . . A 7 PRO HA . 30440 1 83 . 1 . 1 7 7 PRO HB2 H 1 2.329 0.004 . . . . . . A 7 PRO HB2 . 30440 1 84 . 1 . 1 7 7 PRO HB3 H 1 1.822 0.002 . . . . . . A 7 PRO HB3 . 30440 1 85 . 1 . 1 7 7 PRO HG2 H 1 2.083 0.006 . . . . . . A 7 PRO HG2 . 30440 1 86 . 1 . 1 7 7 PRO HG3 H 1 1.963 0.006 . . . . . . A 7 PRO HG3 . 30440 1 87 . 1 . 1 7 7 PRO HD2 H 1 3.714 0.001 . . . . . . A 7 PRO HD2 . 30440 1 88 . 1 . 1 7 7 PRO HD3 H 1 3.621 0.002 . . . . . . A 7 PRO HD3 . 30440 1 89 . 1 . 1 7 7 PRO CA C 13 65.880 0.000 . . . . . . A 7 PRO CA . 30440 1 90 . 1 . 1 7 7 PRO CB C 13 31.319 0.000 . . . . . . A 7 PRO CB . 30440 1 91 . 1 . 1 8 8 ARG H H 1 7.457 0.001 . . . . . . A 8 ARG H . 30440 1 92 . 1 . 1 8 8 ARG HA H 1 4.068 0.004 . . . . . . A 8 ARG HA . 30440 1 93 . 1 . 1 8 8 ARG HB2 H 1 1.975 0.001 . . . . . . A 8 ARG HB2 . 30440 1 94 . 1 . 1 8 8 ARG HB3 H 1 1.915 0.000 . . . . . . A 8 ARG HB3 . 30440 1 95 . 1 . 1 8 8 ARG HG2 H 1 1.751 0.001 . . . . . . A 8 ARG HG2 . 30440 1 96 . 1 . 1 8 8 ARG HG3 H 1 1.656 0.003 . . . . . . A 8 ARG HG3 . 30440 1 97 . 1 . 1 8 8 ARG HD2 H 1 3.180 0.001 . . . . . . A 8 ARG HD2 . 30440 1 98 . 1 . 1 8 8 ARG HD3 H 1 3.152 0.002 . . . . . . A 8 ARG HD3 . 30440 1 99 . 1 . 1 8 8 ARG HE H 1 7.199 0.001 . . . . . . A 8 ARG HE . 30440 1 100 . 1 . 1 8 8 ARG CA C 13 58.583 0.000 . . . . . . A 8 ARG CA . 30440 1 101 . 1 . 1 8 8 ARG CB C 13 30.033 0.000 . . . . . . A 8 ARG CB . 30440 1 102 . 1 . 1 8 8 ARG CG C 13 27.600 0.000 . . . . . . A 8 ARG CG . 30440 1 103 . 1 . 1 8 8 ARG CD C 13 43.391 0.034 . . . . . . A 8 ARG CD . 30440 1 104 . 1 . 1 8 8 ARG N N 15 115.174 0.000 . . . . . . A 8 ARG N . 30440 1 105 . 1 . 1 9 9 ILE H H 1 7.793 0.002 . . . . . . A 9 ILE H . 30440 1 106 . 1 . 1 9 9 ILE HA H 1 3.792 0.003 . . . . . . A 9 ILE HA . 30440 1 107 . 1 . 1 9 9 ILE HB H 1 1.953 0.001 . . . . . . A 9 ILE HB . 30440 1 108 . 1 . 1 9 9 ILE HG12 H 1 1.129 0.002 . . . . . . A 9 ILE HG12 . 30440 1 109 . 1 . 1 9 9 ILE HG13 H 1 1.589 0.001 . . . . . . A 9 ILE HG13 . 30440 1 110 . 1 . 1 9 9 ILE HG21 H 1 0.889 0.001 . . . . . . A 9 ILE HG21 . 30440 1 111 . 1 . 1 9 9 ILE HG22 H 1 0.889 0.001 . . . . . . A 9 ILE HG22 . 30440 1 112 . 1 . 1 9 9 ILE HG23 H 1 0.889 0.001 . . . . . . A 9 ILE HG23 . 30440 1 113 . 1 . 1 9 9 ILE HD11 H 1 0.812 0.013 . . . . . . A 9 ILE HD11 . 30440 1 114 . 1 . 1 9 9 ILE HD12 H 1 0.812 0.013 . . . . . . A 9 ILE HD12 . 30440 1 115 . 1 . 1 9 9 ILE HD13 H 1 0.812 0.013 . . . . . . A 9 ILE HD13 . 30440 1 116 . 1 . 1 9 9 ILE CA C 13 64.095 0.000 . . . . . . A 9 ILE CA . 30440 1 117 . 1 . 1 9 9 ILE CB C 13 38.244 0.000 . . . . . . A 9 ILE CB . 30440 1 118 . 1 . 1 9 9 ILE CG1 C 13 28.303 0.006 . . . . . . A 9 ILE CG1 . 30440 1 119 . 1 . 1 9 9 ILE CG2 C 13 16.695 0.000 . . . . . . A 9 ILE CG2 . 30440 1 120 . 1 . 1 9 9 ILE CD1 C 13 12.353 0.000 . . . . . . A 9 ILE CD1 . 30440 1 121 . 1 . 1 9 9 ILE N N 15 119.933 0.000 . . . . . . A 9 ILE N . 30440 1 122 . 1 . 1 10 10 LYS H H 1 8.200 0.001 . . . . . . A 10 LYS H . 30440 1 123 . 1 . 1 10 10 LYS HA H 1 3.890 0.002 . . . . . . A 10 LYS HA . 30440 1 124 . 1 . 1 10 10 LYS HB2 H 1 1.784 0.001 . . . . . . A 10 LYS HB2 . 30440 1 125 . 1 . 1 10 10 LYS HB3 H 1 1.843 0.002 . . . . . . A 10 LYS HB3 . 30440 1 126 . 1 . 1 10 10 LYS HG2 H 1 1.335 0.004 . . . . . . A 10 LYS HG2 . 30440 1 127 . 1 . 1 10 10 LYS HG3 H 1 1.475 0.001 . . . . . . A 10 LYS HG3 . 30440 1 128 . 1 . 1 10 10 LYS HD2 H 1 1.645 0.000 . . . . . . A 10 LYS HD2 . 30440 1 129 . 1 . 1 10 10 LYS HD3 H 1 1.625 0.001 . . . . . . A 10 LYS HD3 . 30440 1 130 . 1 . 1 10 10 LYS CA C 13 59.868 0.000 . . . . . . A 10 LYS CA . 30440 1 131 . 1 . 1 10 10 LYS CB C 13 32.805 0.000 . . . . . . A 10 LYS CB . 30440 1 132 . 1 . 1 10 10 LYS CG C 13 25.345 0.000 . . . . . . A 10 LYS CG . 30440 1 133 . 1 . 1 10 10 LYS CD C 13 29.329 0.004 . . . . . . A 10 LYS CD . 30440 1 134 . 1 . 1 10 10 LYS N N 15 119.698 0.000 . . . . . . A 10 LYS N . 30440 1 135 . 1 . 1 11 11 LYS H H 1 7.691 0.001 . . . . . . A 11 LYS H . 30440 1 136 . 1 . 1 11 11 LYS HA H 1 3.947 0.003 . . . . . . A 11 LYS HA . 30440 1 137 . 1 . 1 11 11 LYS HB2 H 1 1.796 0.000 . . . . . . A 11 LYS HB2 . 30440 1 138 . 1 . 1 11 11 LYS HB3 H 1 1.880 0.001 . . . . . . A 11 LYS HB3 . 30440 1 139 . 1 . 1 11 11 LYS HG2 H 1 1.438 0.000 . . . . . . A 11 LYS HG2 . 30440 1 140 . 1 . 1 11 11 LYS HG3 H 1 1.382 0.006 . . . . . . A 11 LYS HG3 . 30440 1 141 . 1 . 1 11 11 LYS HD2 H 1 1.656 0.000 . . . . . . A 11 LYS HD2 . 30440 1 142 . 1 . 1 11 11 LYS HD3 H 1 1.679 0.000 . . . . . . A 11 LYS HD3 . 30440 1 143 . 1 . 1 11 11 LYS HE2 H 1 2.966 0.001 . . . . . . A 11 LYS HE2 . 30440 1 144 . 1 . 1 11 11 LYS HE3 H 1 2.997 0.000 . . . . . . A 11 LYS HE3 . 30440 1 145 . 1 . 1 11 11 LYS CA C 13 59.498 0.000 . . . . . . A 11 LYS CA . 30440 1 146 . 1 . 1 11 11 LYS CB C 13 32.647 0.013 . . . . . . A 11 LYS CB . 30440 1 147 . 1 . 1 11 11 LYS CG C 13 24.531 0.010 . . . . . . A 11 LYS CG . 30440 1 148 . 1 . 1 11 11 LYS CD C 13 29.432 0.006 . . . . . . A 11 LYS CD . 30440 1 149 . 1 . 1 11 11 LYS CE C 13 42.345 0.000 . . . . . . A 11 LYS CE . 30440 1 150 . 1 . 1 11 11 LYS N N 15 116.350 0.000 . . . . . . A 11 LYS N . 30440 1 151 . 1 . 1 12 12 LYS H H 1 7.634 0.001 . . . . . . A 12 LYS H . 30440 1 152 . 1 . 1 12 12 LYS HA H 1 4.048 0.004 . . . . . . A 12 LYS HA . 30440 1 153 . 1 . 1 12 12 LYS HB2 H 1 1.954 0.002 . . . . . . A 12 LYS HB2 . 30440 1 154 . 1 . 1 12 12 LYS HB3 H 1 1.988 0.003 . . . . . . A 12 LYS HB3 . 30440 1 155 . 1 . 1 12 12 LYS HG2 H 1 1.537 0.001 . . . . . . A 12 LYS HG2 . 30440 1 156 . 1 . 1 12 12 LYS HG3 H 1 1.407 0.001 . . . . . . A 12 LYS HG3 . 30440 1 157 . 1 . 1 12 12 LYS HD2 H 1 1.663 0.001 . . . . . . A 12 LYS HD2 . 30440 1 158 . 1 . 1 12 12 LYS HD3 H 1 1.605 0.004 . . . . . . A 12 LYS HD3 . 30440 1 159 . 1 . 1 12 12 LYS HE2 H 1 2.970 0.000 . . . . . . A 12 LYS HE2 . 30440 1 160 . 1 . 1 12 12 LYS HE3 H 1 2.986 0.000 . . . . . . A 12 LYS HE3 . 30440 1 161 . 1 . 1 12 12 LYS CA C 13 59.047 0.000 . . . . . . A 12 LYS CA . 30440 1 162 . 1 . 1 12 12 LYS CB C 13 32.331 0.000 . . . . . . A 12 LYS CB . 30440 1 163 . 1 . 1 12 12 LYS CG C 13 25.254 0.006 . . . . . . A 12 LYS CG . 30440 1 164 . 1 . 1 12 12 LYS CD C 13 29.642 0.005 . . . . . . A 12 LYS CD . 30440 1 165 . 1 . 1 12 12 LYS CE C 13 41.974 0.003 . . . . . . A 12 LYS CE . 30440 1 166 . 1 . 1 12 12 LYS N N 15 119.147 0.000 . . . . . . A 12 LYS N . 30440 1 167 . 1 . 1 13 13 ILE H H 1 8.079 0.002 . . . . . . A 13 ILE H . 30440 1 168 . 1 . 1 13 13 ILE HA H 1 3.729 0.003 . . . . . . A 13 ILE HA . 30440 1 169 . 1 . 1 13 13 ILE HB H 1 1.906 0.001 . . . . . . A 13 ILE HB . 30440 1 170 . 1 . 1 13 13 ILE HG12 H 1 1.087 0.001 . . . . . . A 13 ILE HG12 . 30440 1 171 . 1 . 1 13 13 ILE HG21 H 1 0.852 0.004 . . . . . . A 13 ILE HG21 . 30440 1 172 . 1 . 1 13 13 ILE HG22 H 1 0.852 0.004 . . . . . . A 13 ILE HG22 . 30440 1 173 . 1 . 1 13 13 ILE HG23 H 1 0.852 0.004 . . . . . . A 13 ILE HG23 . 30440 1 174 . 1 . 1 13 13 ILE HD11 H 1 0.775 0.001 . . . . . . A 13 ILE HD11 . 30440 1 175 . 1 . 1 13 13 ILE HD12 H 1 0.775 0.001 . . . . . . A 13 ILE HD12 . 30440 1 176 . 1 . 1 13 13 ILE HD13 H 1 0.775 0.001 . . . . . . A 13 ILE HD13 . 30440 1 177 . 1 . 1 13 13 ILE CA C 13 64.725 0.000 . . . . . . A 13 ILE CA . 30440 1 178 . 1 . 1 13 13 ILE CB C 13 38.194 0.000 . . . . . . A 13 ILE CB . 30440 1 179 . 1 . 1 13 13 ILE CG1 C 13 28.351 0.000 . . . . . . A 13 ILE CG1 . 30440 1 180 . 1 . 1 13 13 ILE CG2 C 13 16.536 0.000 . . . . . . A 13 ILE CG2 . 30440 1 181 . 1 . 1 13 13 ILE CD1 C 13 12.697 0.000 . . . . . . A 13 ILE CD1 . 30440 1 182 . 1 . 1 13 13 ILE N N 15 120.178 0.000 . . . . . . A 13 ILE N . 30440 1 183 . 1 . 1 14 14 LEU H H 1 8.170 0.002 . . . . . . A 14 LEU H . 30440 1 184 . 1 . 1 14 14 LEU HA H 1 4.084 0.002 . . . . . . A 14 LEU HA . 30440 1 185 . 1 . 1 14 14 LEU HB2 H 1 1.816 0.001 . . . . . . A 14 LEU HB2 . 30440 1 186 . 1 . 1 14 14 LEU HB3 H 1 1.779 0.003 . . . . . . A 14 LEU HB3 . 30440 1 187 . 1 . 1 14 14 LEU HG H 1 1.521 0.001 . . . . . . A 14 LEU HG . 30440 1 188 . 1 . 1 14 14 LEU HD11 H 1 0.852 0.002 . . . . . . A 14 LEU HD11 . 30440 1 189 . 1 . 1 14 14 LEU HD12 H 1 0.852 0.002 . . . . . . A 14 LEU HD12 . 30440 1 190 . 1 . 1 14 14 LEU HD13 H 1 0.852 0.002 . . . . . . A 14 LEU HD13 . 30440 1 191 . 1 . 1 14 14 LEU HD21 H 1 0.828 0.001 . . . . . . A 14 LEU HD21 . 30440 1 192 . 1 . 1 14 14 LEU HD22 H 1 0.828 0.001 . . . . . . A 14 LEU HD22 . 30440 1 193 . 1 . 1 14 14 LEU HD23 H 1 0.828 0.001 . . . . . . A 14 LEU HD23 . 30440 1 194 . 1 . 1 14 14 LEU CA C 13 57.553 0.000 . . . . . . A 14 LEU CA . 30440 1 195 . 1 . 1 14 14 LEU CB C 13 41.764 0.014 . . . . . . A 14 LEU CB . 30440 1 196 . 1 . 1 14 14 LEU CG C 13 27.958 0.000 . . . . . . A 14 LEU CG . 30440 1 197 . 1 . 1 14 14 LEU CD1 C 13 24.845 0.000 . . . . . . A 14 LEU CD1 . 30440 1 198 . 1 . 1 14 14 LEU CD2 C 13 22.592 0.000 . . . . . . A 14 LEU CD2 . 30440 1 199 . 1 . 1 14 14 LEU N N 15 119.887 0.000 . . . . . . A 14 LEU N . 30440 1 200 . 1 . 1 15 15 ALA H H 1 7.889 0.001 . . . . . . A 15 ALA H . 30440 1 201 . 1 . 1 15 15 ALA HA H 1 4.139 0.009 . . . . . . A 15 ALA HA . 30440 1 202 . 1 . 1 15 15 ALA HB1 H 1 1.470 0.002 . . . . . . A 15 ALA HB1 . 30440 1 203 . 1 . 1 15 15 ALA HB2 H 1 1.470 0.002 . . . . . . A 15 ALA HB2 . 30440 1 204 . 1 . 1 15 15 ALA HB3 H 1 1.470 0.002 . . . . . . A 15 ALA HB3 . 30440 1 205 . 1 . 1 15 15 ALA CA C 13 54.259 0.000 . . . . . . A 15 ALA CA . 30440 1 206 . 1 . 1 15 15 ALA CB C 13 18.169 0.000 . . . . . . A 15 ALA CB . 30440 1 207 . 1 . 1 15 15 ALA N N 15 120.106 0.000 . . . . . . A 15 ALA N . 30440 1 208 . 1 . 1 16 16 ALA H H 1 7.667 0.001 . . . . . . A 16 ALA H . 30440 1 209 . 1 . 1 16 16 ALA HA H 1 4.187 0.002 . . . . . . A 16 ALA HA . 30440 1 210 . 1 . 1 16 16 ALA HB1 H 1 1.451 0.004 . . . . . . A 16 ALA HB1 . 30440 1 211 . 1 . 1 16 16 ALA HB2 H 1 1.451 0.004 . . . . . . A 16 ALA HB2 . 30440 1 212 . 1 . 1 16 16 ALA HB3 H 1 1.451 0.004 . . . . . . A 16 ALA HB3 . 30440 1 213 . 1 . 1 16 16 ALA CA C 13 53.594 0.000 . . . . . . A 16 ALA CA . 30440 1 214 . 1 . 1 16 16 ALA CB C 13 18.531 0.000 . . . . . . A 16 ALA CB . 30440 1 215 . 1 . 1 16 16 ALA N N 15 119.488 0.000 . . . . . . A 16 ALA N . 30440 1 216 . 1 . 1 17 17 ALA H H 1 7.889 0.001 . . . . . . A 17 ALA H . 30440 1 217 . 1 . 1 17 17 ALA HA H 1 4.128 0.002 . . . . . . A 17 ALA HA . 30440 1 218 . 1 . 1 17 17 ALA HB1 H 1 1.235 0.003 . . . . . . A 17 ALA HB1 . 30440 1 219 . 1 . 1 17 17 ALA HB2 H 1 1.235 0.003 . . . . . . A 17 ALA HB2 . 30440 1 220 . 1 . 1 17 17 ALA HB3 H 1 1.235 0.003 . . . . . . A 17 ALA HB3 . 30440 1 221 . 1 . 1 17 17 ALA CA C 13 53.347 0.000 . . . . . . A 17 ALA CA . 30440 1 222 . 1 . 1 17 17 ALA CB C 13 18.643 0.000 . . . . . . A 17 ALA CB . 30440 1 223 . 1 . 1 17 17 ALA N N 15 119.825 0.000 . . . . . . A 17 ALA N . 30440 1 224 . 1 . 1 18 18 PHE H H 1 7.767 0.001 . . . . . . A 18 PHE H . 30440 1 225 . 1 . 1 18 18 PHE HA H 1 4.564 0.004 . . . . . . A 18 PHE HA . 30440 1 226 . 1 . 1 18 18 PHE HB2 H 1 3.217 0.002 . . . . . . A 18 PHE HB2 . 30440 1 227 . 1 . 1 18 18 PHE HB3 H 1 2.999 0.005 . . . . . . A 18 PHE HB3 . 30440 1 228 . 1 . 1 18 18 PHE CA C 13 57.831 0.000 . . . . . . A 18 PHE CA . 30440 1 229 . 1 . 1 18 18 PHE CB C 13 39.199 0.024 . . . . . . A 18 PHE CB . 30440 1 230 . 1 . 1 18 18 PHE N N 15 116.592 0.000 . . . . . . A 18 PHE N . 30440 1 231 . 1 . 1 19 19 LYS H H 1 7.707 0.001 . . . . . . A 19 LYS H . 30440 1 232 . 1 . 1 19 19 LYS HA H 1 4.289 0.006 . . . . . . A 19 LYS HA . 30440 1 233 . 1 . 1 19 19 LYS HB2 H 1 1.801 0.001 . . . . . . A 19 LYS HB2 . 30440 1 234 . 1 . 1 19 19 LYS HB3 H 1 1.880 0.004 . . . . . . A 19 LYS HB3 . 30440 1 235 . 1 . 1 19 19 LYS HG2 H 1 1.391 0.000 . . . . . . A 19 LYS HG2 . 30440 1 236 . 1 . 1 19 19 LYS HG3 H 1 1.435 0.001 . . . . . . A 19 LYS HG3 . 30440 1 237 . 1 . 1 19 19 LYS HD2 H 1 1.658 0.001 . . . . . . A 19 LYS HD2 . 30440 1 238 . 1 . 1 19 19 LYS HD3 H 1 1.668 0.000 . . . . . . A 19 LYS HD3 . 30440 1 239 . 1 . 1 19 19 LYS HE2 H 1 2.947 0.001 . . . . . . A 19 LYS HE2 . 30440 1 240 . 1 . 1 19 19 LYS HE3 H 1 2.994 0.000 . . . . . . A 19 LYS HE3 . 30440 1 241 . 1 . 1 19 19 LYS CA C 13 58.048 0.000 . . . . . . A 19 LYS CA . 30440 1 242 . 1 . 1 19 19 LYS CB C 13 32.494 0.002 . . . . . . A 19 LYS CB . 30440 1 243 . 1 . 1 19 19 LYS CG C 13 24.706 0.005 . . . . . . A 19 LYS CG . 30440 1 244 . 1 . 1 19 19 LYS CD C 13 29.201 0.002 . . . . . . A 19 LYS CD . 30440 1 245 . 1 . 1 19 19 LYS CE C 13 42.161 0.000 . . . . . . A 19 LYS CE . 30440 1 246 . 1 . 1 19 19 LYS N N 15 119.027 0.000 . . . . . . A 19 LYS N . 30440 1 stop_ save_