################################### # 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 30441 _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' . . . 30441 1 2 '2D 1H-1H NOESY' . . . 30441 1 3 '2D 1H-15N HSQC' . . . 30441 1 4 '2D 1H-13C HSQC' . . . 30441 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 4.366 0.001 . . . . . . A 1 PRO HA . 30441 1 2 . 1 . 1 1 1 PRO HB2 H 1 2.448 0.003 . . . . . . A 1 PRO HB2 . 30441 1 3 . 1 . 1 1 1 PRO HB3 H 1 1.993 0.001 . . . . . . A 1 PRO HB3 . 30441 1 4 . 1 . 1 1 1 PRO HG2 H 1 2.046 0.001 . . . . . . A 1 PRO HG2 . 30441 1 5 . 1 . 1 1 1 PRO HG3 H 1 2.018 0.000 . . . . . . A 1 PRO HG3 . 30441 1 6 . 1 . 1 1 1 PRO HD2 H 1 3.393 0.001 . . . . . . A 1 PRO HD2 . 30441 1 7 . 1 . 1 1 1 PRO HD3 H 1 3.359 0.003 . . . . . . A 1 PRO HD3 . 30441 1 8 . 1 . 1 1 1 PRO CA C 13 62.226 0.000 . . . . . . A 1 PRO CA . 30441 1 9 . 1 . 1 2 2 MET H H 1 8.659 0.001 . . . . . . A 2 MET H . 30441 1 10 . 1 . 1 2 2 MET HA H 1 4.459 0.003 . . . . . . A 2 MET HA . 30441 1 11 . 1 . 1 2 2 MET HB2 H 1 2.049 0.002 . . . . . . A 2 MET HB2 . 30441 1 12 . 1 . 1 2 2 MET HB3 H 1 1.989 0.001 . . . . . . A 2 MET HB3 . 30441 1 13 . 1 . 1 2 2 MET HG2 H 1 2.569 0.005 . . . . . . A 2 MET HG2 . 30441 1 14 . 1 . 1 2 2 MET HG3 H 1 2.544 0.002 . . . . . . A 2 MET HG3 . 30441 1 15 . 1 . 1 2 2 MET HE1 H 1 2.028 0.020 . . . . . . A 2 MET HE1 . 30441 1 16 . 1 . 1 2 2 MET HE2 H 1 2.028 0.020 . . . . . . A 2 MET HE2 . 30441 1 17 . 1 . 1 2 2 MET HE3 H 1 2.028 0.020 . . . . . . A 2 MET HE3 . 30441 1 18 . 1 . 1 2 2 MET CA C 13 55.783 0.000 . . . . . . A 2 MET CA . 30441 1 19 . 1 . 1 2 2 MET CB C 13 33.132 0.008 . . . . . . A 2 MET CB . 30441 1 20 . 1 . 1 2 2 MET CG C 13 31.823 0.021 . . . . . . A 2 MET CG . 30441 1 21 . 1 . 1 2 2 MET CE C 13 16.598 0.000 . . . . . . A 2 MET CE . 30441 1 22 . 1 . 1 2 2 MET N N 15 119.847 0.000 . . . . . . A 2 MET N . 30441 1 23 . 1 . 1 3 3 ALA H H 1 8.312 0.003 . . . . . . A 3 ALA H . 30441 1 24 . 1 . 1 3 3 ALA HA H 1 4.293 0.004 . . . . . . A 3 ALA HA . 30441 1 25 . 1 . 1 3 3 ALA HB1 H 1 1.376 0.002 . . . . . . A 3 ALA HB1 . 30441 1 26 . 1 . 1 3 3 ALA HB2 H 1 1.376 0.002 . . . . . . A 3 ALA HB2 . 30441 1 27 . 1 . 1 3 3 ALA HB3 H 1 1.376 0.002 . . . . . . A 3 ALA HB3 . 30441 1 28 . 1 . 1 3 3 ALA CA C 13 52.560 0.000 . . . . . . A 3 ALA CA . 30441 1 29 . 1 . 1 3 3 ALA CB C 13 18.948 0.000 . . . . . . A 3 ALA CB . 30441 1 30 . 1 . 1 3 3 ALA N N 15 125.669 0.000 . . . . . . A 3 ALA N . 30441 1 31 . 1 . 1 4 4 ARG H H 1 8.183 0.002 . . . . . . A 4 ARG H . 30441 1 32 . 1 . 1 4 4 ARG HA H 1 4.268 0.011 . . . . . . A 4 ARG HA . 30441 1 33 . 1 . 1 4 4 ARG HB2 H 1 1.829 0.002 . . . . . . A 4 ARG HB2 . 30441 1 34 . 1 . 1 4 4 ARG HB3 H 1 1.744 0.002 . . . . . . A 4 ARG HB3 . 30441 1 35 . 1 . 1 4 4 ARG HG2 H 1 1.649 0.002 . . . . . . A 4 ARG HG2 . 30441 1 36 . 1 . 1 4 4 ARG HG3 H 1 1.613 0.001 . . . . . . A 4 ARG HG3 . 30441 1 37 . 1 . 1 4 4 ARG HD2 H 1 3.186 0.007 . . . . . . A 4 ARG HD2 . 30441 1 38 . 1 . 1 4 4 ARG HD3 H 1 3.144 0.007 . . . . . . A 4 ARG HD3 . 30441 1 39 . 1 . 1 4 4 ARG HE H 1 7.168 0.001 . . . . . . A 4 ARG HE . 30441 1 40 . 1 . 1 4 4 ARG CA C 13 55.663 0.000 . . . . . . A 4 ARG CA . 30441 1 41 . 1 . 1 4 4 ARG CB C 13 30.661 0.039 . . . . . . A 4 ARG CB . 30441 1 42 . 1 . 1 4 4 ARG CG C 13 27.079 0.000 . . . . . . A 4 ARG CG . 30441 1 43 . 1 . 1 4 4 ARG CD C 13 43.181 0.000 . . . . . . A 4 ARG CD . 30441 1 44 . 1 . 1 4 4 ARG N N 15 119.297 0.000 . . . . . . A 4 ARG N . 30441 1 45 . 1 . 1 5 5 ASN H H 1 8.164 0.003 . . . . . . A 5 ASN H . 30441 1 46 . 1 . 1 5 5 ASN HA H 1 4.725 0.012 . . . . . . A 5 ASN HA . 30441 1 47 . 1 . 1 5 5 ASN HB2 H 1 2.792 0.005 . . . . . . A 5 ASN HB2 . 30441 1 48 . 1 . 1 5 5 ASN HB3 H 1 2.739 0.003 . . . . . . A 5 ASN HB3 . 30441 1 49 . 1 . 1 5 5 ASN CA C 13 52.994 0.000 . . . . . . A 5 ASN CA . 30441 1 50 . 1 . 1 5 5 ASN CB C 13 38.715 0.010 . . . . . . A 5 ASN CB . 30441 1 51 . 1 . 1 5 5 ASN N N 15 117.723 0.000 . . . . . . A 5 ASN N . 30441 1 52 . 1 . 1 6 6 LYS H H 1 8.100 0.002 . . . . . . A 6 LYS H . 30441 1 53 . 1 . 1 6 6 LYS HA H 1 4.382 0.004 . . . . . . A 6 LYS HA . 30441 1 54 . 1 . 1 6 6 LYS HB2 H 1 1.835 0.003 . . . . . . A 6 LYS HB2 . 30441 1 55 . 1 . 1 6 6 LYS HB3 H 1 1.790 0.001 . . . . . . A 6 LYS HB3 . 30441 1 56 . 1 . 1 6 6 LYS HG2 H 1 1.514 0.002 . . . . . . A 6 LYS HG2 . 30441 1 57 . 1 . 1 6 6 LYS HG3 H 1 1.378 0.001 . . . . . . A 6 LYS HG3 . 30441 1 58 . 1 . 1 6 6 LYS HD2 H 1 1.697 0.002 . . . . . . A 6 LYS HD2 . 30441 1 59 . 1 . 1 6 6 LYS HD3 H 1 1.672 0.001 . . . . . . A 6 LYS HD3 . 30441 1 60 . 1 . 1 6 6 LYS HE2 H 1 2.971 0.001 . . . . . . A 6 LYS HE2 . 30441 1 61 . 1 . 1 6 6 LYS HE3 H 1 2.950 0.001 . . . . . . A 6 LYS HE3 . 30441 1 62 . 1 . 1 6 6 LYS CA C 13 57.547 0.000 . . . . . . A 6 LYS CA . 30441 1 63 . 1 . 1 6 6 LYS CB C 13 31.486 0.010 . . . . . . A 6 LYS CB . 30441 1 64 . 1 . 1 6 6 LYS CG C 13 25.149 0.000 . . . . . . A 6 LYS CG . 30441 1 65 . 1 . 1 6 6 LYS CD C 13 29.044 0.010 . . . . . . A 6 LYS CD . 30441 1 66 . 1 . 1 6 6 LYS CE C 13 41.956 0.004 . . . . . . A 6 LYS CE . 30441 1 67 . 1 . 1 6 6 LYS N N 15 121.383 0.000 . . . . . . A 6 LYS N . 30441 1 68 . 1 . 1 7 7 PRO HA H 1 4.311 0.002 . . . . . . A 7 PRO HA . 30441 1 69 . 1 . 1 7 7 PRO HB2 H 1 2.303 0.001 . . . . . . A 7 PRO HB2 . 30441 1 70 . 1 . 1 7 7 PRO HB3 H 1 1.857 0.002 . . . . . . A 7 PRO HB3 . 30441 1 71 . 1 . 1 7 7 PRO HG2 H 1 2.067 0.002 . . . . . . A 7 PRO HG2 . 30441 1 72 . 1 . 1 7 7 PRO HG3 H 1 1.970 0.002 . . . . . . A 7 PRO HG3 . 30441 1 73 . 1 . 1 7 7 PRO HD2 H 1 3.734 0.001 . . . . . . A 7 PRO HD2 . 30441 1 74 . 1 . 1 7 7 PRO HD3 H 1 3.654 0.002 . . . . . . A 7 PRO HD3 . 30441 1 75 . 1 . 1 7 7 PRO CA C 13 64.877 0.000 . . . . . . A 7 PRO CA . 30441 1 76 . 1 . 1 8 8 LYS H H 1 7.852 0.001 . . . . . . A 8 LYS H . 30441 1 77 . 1 . 1 8 8 LYS HA H 1 4.042 0.001 . . . . . . A 8 LYS HA . 30441 1 78 . 1 . 1 8 8 LYS HB2 H 1 1.871 0.002 . . . . . . A 8 LYS HB2 . 30441 1 79 . 1 . 1 8 8 LYS HB3 H 1 1.824 0.001 . . . . . . A 8 LYS HB3 . 30441 1 80 . 1 . 1 8 8 LYS HG2 H 1 1.406 0.000 . . . . . . A 8 LYS HG2 . 30441 1 81 . 1 . 1 8 8 LYS HG3 H 1 1.541 0.000 . . . . . . A 8 LYS HG3 . 30441 1 82 . 1 . 1 8 8 LYS HD2 H 1 1.672 0.002 . . . . . . A 8 LYS HD2 . 30441 1 83 . 1 . 1 8 8 LYS HD3 H 1 1.698 0.000 . . . . . . A 8 LYS HD3 . 30441 1 84 . 1 . 1 8 8 LYS CA C 13 58.730 0.000 . . . . . . A 8 LYS CA . 30441 1 85 . 1 . 1 8 8 LYS CB C 13 32.133 0.003 . . . . . . A 8 LYS CB . 30441 1 86 . 1 . 1 8 8 LYS CG C 13 25.307 0.003 . . . . . . A 8 LYS CG . 30441 1 87 . 1 . 1 8 8 LYS CD C 13 29.221 0.003 . . . . . . A 8 LYS CD . 30441 1 88 . 1 . 1 8 8 LYS N N 15 119.951 0.000 . . . . . . A 8 LYS N . 30441 1 89 . 1 . 1 9 9 ILE H H 1 7.619 0.001 . . . . . . A 9 ILE H . 30441 1 90 . 1 . 1 9 9 ILE HA H 1 3.890 0.001 . . . . . . A 9 ILE HA . 30441 1 91 . 1 . 1 9 9 ILE HB H 1 1.962 0.001 . . . . . . A 9 ILE HB . 30441 1 92 . 1 . 1 9 9 ILE HG12 H 1 1.173 0.001 . . . . . . A 9 ILE HG12 . 30441 1 93 . 1 . 1 9 9 ILE HG21 H 1 0.902 0.002 . . . . . . A 9 ILE HG21 . 30441 1 94 . 1 . 1 9 9 ILE HG22 H 1 0.902 0.002 . . . . . . A 9 ILE HG22 . 30441 1 95 . 1 . 1 9 9 ILE HG23 H 1 0.902 0.002 . . . . . . A 9 ILE HG23 . 30441 1 96 . 1 . 1 9 9 ILE HD11 H 1 0.828 0.002 . . . . . . A 9 ILE HD11 . 30441 1 97 . 1 . 1 9 9 ILE HD12 H 1 0.828 0.002 . . . . . . A 9 ILE HD12 . 30441 1 98 . 1 . 1 9 9 ILE HD13 H 1 0.828 0.002 . . . . . . A 9 ILE HD13 . 30441 1 99 . 1 . 1 9 9 ILE CA C 13 61.929 0.000 . . . . . . A 9 ILE CA . 30441 1 100 . 1 . 1 9 9 ILE CB C 13 38.232 0.000 . . . . . . A 9 ILE CB . 30441 1 101 . 1 . 1 9 9 ILE CG1 C 13 28.127 0.000 . . . . . . A 9 ILE CG1 . 30441 1 102 . 1 . 1 9 9 ILE CG2 C 13 16.910 0.000 . . . . . . A 9 ILE CG2 . 30441 1 103 . 1 . 1 9 9 ILE CD1 C 13 12.381 0.000 . . . . . . A 9 ILE CD1 . 30441 1 104 . 1 . 1 9 9 ILE N N 15 116.461 0.000 . . . . . . A 9 ILE N . 30441 1 105 . 1 . 1 10 10 LEU H H 1 7.833 0.001 . . . . . . A 10 LEU H . 30441 1 106 . 1 . 1 10 10 LEU HA H 1 4.066 0.002 . . . . . . A 10 LEU HA . 30441 1 107 . 1 . 1 10 10 LEU HB2 H 1 1.645 0.000 . . . . . . A 10 LEU HB2 . 30441 1 108 . 1 . 1 10 10 LEU HB3 H 1 1.631 0.002 . . . . . . A 10 LEU HB3 . 30441 1 109 . 1 . 1 10 10 LEU HG H 1 1.605 0.001 . . . . . . A 10 LEU HG . 30441 1 110 . 1 . 1 10 10 LEU HD11 H 1 0.883 0.003 . . . . . . A 10 LEU HD11 . 30441 1 111 . 1 . 1 10 10 LEU HD12 H 1 0.883 0.003 . . . . . . A 10 LEU HD12 . 30441 1 112 . 1 . 1 10 10 LEU HD13 H 1 0.883 0.003 . . . . . . A 10 LEU HD13 . 30441 1 113 . 1 . 1 10 10 LEU HD21 H 1 0.840 0.001 . . . . . . A 10 LEU HD21 . 30441 1 114 . 1 . 1 10 10 LEU HD22 H 1 0.840 0.001 . . . . . . A 10 LEU HD22 . 30441 1 115 . 1 . 1 10 10 LEU HD23 H 1 0.840 0.001 . . . . . . A 10 LEU HD23 . 30441 1 116 . 1 . 1 10 10 LEU CA C 13 57.748 0.000 . . . . . . A 10 LEU CA . 30441 1 117 . 1 . 1 10 10 LEU CB C 13 41.800 0.007 . . . . . . A 10 LEU CB . 30441 1 118 . 1 . 1 10 10 LEU CG C 13 27.322 0.000 . . . . . . A 10 LEU CG . 30441 1 119 . 1 . 1 10 10 LEU CD1 C 13 23.521 0.000 . . . . . . A 10 LEU CD1 . 30441 1 120 . 1 . 1 10 10 LEU CD2 C 13 24.972 0.000 . . . . . . A 10 LEU CD2 . 30441 1 121 . 1 . 1 10 10 LEU N N 15 120.807 0.000 . . . . . . A 10 LEU N . 30441 1 122 . 1 . 1 11 11 LYS H H 1 7.861 0.001 . . . . . . A 11 LYS H . 30441 1 123 . 1 . 1 11 11 LYS HA H 1 3.891 0.002 . . . . . . A 11 LYS HA . 30441 1 124 . 1 . 1 11 11 LYS HB2 H 1 1.872 0.002 . . . . . . A 11 LYS HB2 . 30441 1 125 . 1 . 1 11 11 LYS HB3 H 1 1.826 0.001 . . . . . . A 11 LYS HB3 . 30441 1 126 . 1 . 1 11 11 LYS HG2 H 1 1.538 0.008 . . . . . . A 11 LYS HG2 . 30441 1 127 . 1 . 1 11 11 LYS HG3 H 1 1.403 0.002 . . . . . . A 11 LYS HG3 . 30441 1 128 . 1 . 1 11 11 LYS HD2 H 1 1.688 0.001 . . . . . . A 11 LYS HD2 . 30441 1 129 . 1 . 1 11 11 LYS HD3 H 1 1.671 0.001 . . . . . . A 11 LYS HD3 . 30441 1 130 . 1 . 1 11 11 LYS HE2 H 1 2.984 0.000 . . . . . . A 11 LYS HE2 . 30441 1 131 . 1 . 1 11 11 LYS HE3 H 1 2.964 0.001 . . . . . . A 11 LYS HE3 . 30441 1 132 . 1 . 1 11 11 LYS CA C 13 60.040 0.000 . . . . . . A 11 LYS CA . 30441 1 133 . 1 . 1 11 11 LYS CB C 13 32.303 0.000 . . . . . . A 11 LYS CB . 30441 1 134 . 1 . 1 11 11 LYS CG C 13 25.522 0.002 . . . . . . A 11 LYS CG . 30441 1 135 . 1 . 1 11 11 LYS CD C 13 29.415 0.007 . . . . . . A 11 LYS CD . 30441 1 136 . 1 . 1 11 11 LYS CE C 13 42.221 0.000 . . . . . . A 11 LYS CE . 30441 1 137 . 1 . 1 11 11 LYS N N 15 118.206 0.000 . . . . . . A 11 LYS N . 30441 1 138 . 1 . 1 12 12 ARG H H 1 7.506 0.003 . . . . . . A 12 ARG H . 30441 1 139 . 1 . 1 12 12 ARG HA H 1 4.068 0.001 . . . . . . A 12 ARG HA . 30441 1 140 . 1 . 1 12 12 ARG HB2 H 1 1.959 0.004 . . . . . . A 12 ARG HB2 . 30441 1 141 . 1 . 1 12 12 ARG HB3 H 1 1.770 0.005 . . . . . . A 12 ARG HB3 . 30441 1 142 . 1 . 1 12 12 ARG HG2 H 1 1.636 0.001 . . . . . . A 12 ARG HG2 . 30441 1 143 . 1 . 1 12 12 ARG HG3 H 1 1.671 0.001 . . . . . . A 12 ARG HG3 . 30441 1 144 . 1 . 1 12 12 ARG HD2 H 1 3.126 0.000 . . . . . . A 12 ARG HD2 . 30441 1 145 . 1 . 1 12 12 ARG HD3 H 1 3.151 0.001 . . . . . . A 12 ARG HD3 . 30441 1 146 . 1 . 1 12 12 ARG HE H 1 7.187 0.001 . . . . . . A 12 ARG HE . 30441 1 147 . 1 . 1 12 12 ARG CA C 13 58.769 0.000 . . . . . . A 12 ARG CA . 30441 1 148 . 1 . 1 12 12 ARG CB C 13 30.043 0.000 . . . . . . A 12 ARG CB . 30441 1 149 . 1 . 1 12 12 ARG CG C 13 27.261 0.006 . . . . . . A 12 ARG CG . 30441 1 150 . 1 . 1 12 12 ARG CD C 13 43.005 0.004 . . . . . . A 12 ARG CD . 30441 1 151 . 1 . 1 12 12 ARG N N 15 117.082 0.000 . . . . . . A 12 ARG N . 30441 1 152 . 1 . 1 13 13 ILE H H 1 7.844 0.007 . . . . . . A 13 ILE H . 30441 1 153 . 1 . 1 13 13 ILE HA H 1 3.734 0.002 . . . . . . A 13 ILE HA . 30441 1 154 . 1 . 1 13 13 ILE HB H 1 1.965 0.001 . . . . . . A 13 ILE HB . 30441 1 155 . 1 . 1 13 13 ILE HG12 H 1 1.091 0.002 . . . . . . A 13 ILE HG12 . 30441 1 156 . 1 . 1 13 13 ILE HG21 H 1 0.859 0.005 . . . . . . A 13 ILE HG21 . 30441 1 157 . 1 . 1 13 13 ILE HG22 H 1 0.859 0.005 . . . . . . A 13 ILE HG22 . 30441 1 158 . 1 . 1 13 13 ILE HG23 H 1 0.859 0.005 . . . . . . A 13 ILE HG23 . 30441 1 159 . 1 . 1 13 13 ILE HD11 H 1 0.793 0.003 . . . . . . A 13 ILE HD11 . 30441 1 160 . 1 . 1 13 13 ILE HD12 H 1 0.793 0.003 . . . . . . A 13 ILE HD12 . 30441 1 161 . 1 . 1 13 13 ILE HD13 H 1 0.793 0.003 . . . . . . A 13 ILE HD13 . 30441 1 162 . 1 . 1 13 13 ILE CA C 13 64.768 0.000 . . . . . . A 13 ILE CA . 30441 1 163 . 1 . 1 13 13 ILE CB C 13 38.408 0.000 . . . . . . A 13 ILE CB . 30441 1 164 . 1 . 1 13 13 ILE CG1 C 13 28.388 0.000 . . . . . . A 13 ILE CG1 . 30441 1 165 . 1 . 1 13 13 ILE CG2 C 13 16.331 0.000 . . . . . . A 13 ILE CG2 . 30441 1 166 . 1 . 1 13 13 ILE CD1 C 13 12.357 0.000 . . . . . . A 13 ILE CD1 . 30441 1 167 . 1 . 1 13 13 ILE N N 15 116.562 0.000 . . . . . . A 13 ILE N . 30441 1 168 . 1 . 1 14 14 LEU H H 1 8.384 0.002 . . . . . . A 14 LEU H . 30441 1 169 . 1 . 1 14 14 LEU HA H 1 4.075 0.001 . . . . . . A 14 LEU HA . 30441 1 170 . 1 . 1 14 14 LEU HB2 H 1 1.859 0.002 . . . . . . A 14 LEU HB2 . 30441 1 171 . 1 . 1 14 14 LEU HB3 H 1 1.825 0.002 . . . . . . A 14 LEU HB3 . 30441 1 172 . 1 . 1 14 14 LEU HG H 1 1.487 0.001 . . . . . . A 14 LEU HG . 30441 1 173 . 1 . 1 14 14 LEU CA C 13 57.765 0.000 . . . . . . A 14 LEU CA . 30441 1 174 . 1 . 1 14 14 LEU CB C 13 41.430 0.000 . . . . . . A 14 LEU CB . 30441 1 175 . 1 . 1 14 14 LEU CG C 13 24.910 0.000 . . . . . . A 14 LEU CG . 30441 1 176 . 1 . 1 14 14 LEU N N 15 119.051 0.000 . . . . . . A 14 LEU N . 30441 1 177 . 1 . 1 15 15 ALA H H 1 7.723 0.004 . . . . . . A 15 ALA H . 30441 1 178 . 1 . 1 15 15 ALA HA H 1 4.137 0.008 . . . . . . A 15 ALA HA . 30441 1 179 . 1 . 1 15 15 ALA HB1 H 1 1.479 0.001 . . . . . . A 15 ALA HB1 . 30441 1 180 . 1 . 1 15 15 ALA HB2 H 1 1.479 0.001 . . . . . . A 15 ALA HB2 . 30441 1 181 . 1 . 1 15 15 ALA HB3 H 1 1.479 0.001 . . . . . . A 15 ALA HB3 . 30441 1 182 . 1 . 1 15 15 ALA CA C 13 54.444 0.000 . . . . . . A 15 ALA CA . 30441 1 183 . 1 . 1 15 15 ALA CB C 13 18.115 0.000 . . . . . . A 15 ALA CB . 30441 1 184 . 1 . 1 15 15 ALA N N 15 118.911 0.000 . . . . . . A 15 ALA N . 30441 1 185 . 1 . 1 16 16 LYS H H 1 7.609 0.005 . . . . . . A 16 LYS H . 30441 1 186 . 1 . 1 16 16 LYS HA H 1 4.139 0.005 . . . . . . A 16 LYS HA . 30441 1 187 . 1 . 1 16 16 LYS HB2 H 1 1.987 0.000 . . . . . . A 16 LYS HB2 . 30441 1 188 . 1 . 1 16 16 LYS HB3 H 1 1.928 0.003 . . . . . . A 16 LYS HB3 . 30441 1 189 . 1 . 1 16 16 LYS HG2 H 1 1.441 0.000 . . . . . . A 16 LYS HG2 . 30441 1 190 . 1 . 1 16 16 LYS HG3 H 1 1.524 0.000 . . . . . . A 16 LYS HG3 . 30441 1 191 . 1 . 1 16 16 LYS HD2 H 1 1.681 0.000 . . . . . . A 16 LYS HD2 . 30441 1 192 . 1 . 1 16 16 LYS HD3 H 1 1.651 0.000 . . . . . . A 16 LYS HD3 . 30441 1 193 . 1 . 1 16 16 LYS HE2 H 1 2.965 0.001 . . . . . . A 16 LYS HE2 . 30441 1 194 . 1 . 1 16 16 LYS HE3 H 1 2.935 0.000 . . . . . . A 16 LYS HE3 . 30441 1 195 . 1 . 1 16 16 LYS CA C 13 57.754 0.000 . . . . . . A 16 LYS CA . 30441 1 196 . 1 . 1 16 16 LYS CB C 13 32.340 0.005 . . . . . . A 16 LYS CB . 30441 1 197 . 1 . 1 16 16 LYS CG C 13 24.823 0.007 . . . . . . A 16 LYS CG . 30441 1 198 . 1 . 1 16 16 LYS CD C 13 28.755 0.002 . . . . . . A 16 LYS CD . 30441 1 199 . 1 . 1 16 16 LYS CE C 13 41.670 0.000 . . . . . . A 16 LYS CE . 30441 1 200 . 1 . 1 16 16 LYS N N 15 118.190 0.000 . . . . . . A 16 LYS N . 30441 1 201 . 1 . 1 17 17 ILE H H 1 7.716 0.003 . . . . . . A 17 ILE H . 30441 1 202 . 1 . 1 17 17 ILE HA H 1 3.854 0.011 . . . . . . A 17 ILE HA . 30441 1 203 . 1 . 1 17 17 ILE HB H 1 1.632 0.001 . . . . . . A 17 ILE HB . 30441 1 204 . 1 . 1 17 17 ILE HG12 H 1 1.022 0.002 . . . . . . A 17 ILE HG12 . 30441 1 205 . 1 . 1 17 17 ILE HG13 H 1 0.682 0.003 . . . . . . A 17 ILE HG13 . 30441 1 206 . 1 . 1 17 17 ILE HG21 H 1 0.411 0.003 . . . . . . A 17 ILE HG21 . 30441 1 207 . 1 . 1 17 17 ILE HG22 H 1 0.411 0.003 . . . . . . A 17 ILE HG22 . 30441 1 208 . 1 . 1 17 17 ILE HG23 H 1 0.411 0.003 . . . . . . A 17 ILE HG23 . 30441 1 209 . 1 . 1 17 17 ILE HD11 H 1 0.387 0.001 . . . . . . A 17 ILE HD11 . 30441 1 210 . 1 . 1 17 17 ILE HD12 H 1 0.387 0.001 . . . . . . A 17 ILE HD12 . 30441 1 211 . 1 . 1 17 17 ILE HD13 H 1 0.387 0.001 . . . . . . A 17 ILE HD13 . 30441 1 212 . 1 . 1 17 17 ILE CA C 13 63.390 0.000 . . . . . . A 17 ILE CA . 30441 1 213 . 1 . 1 17 17 ILE CB C 13 41.528 0.000 . . . . . . A 17 ILE CB . 30441 1 214 . 1 . 1 17 17 ILE CG1 C 13 27.303 0.000 . . . . . . A 17 ILE CG1 . 30441 1 215 . 1 . 1 17 17 ILE CG2 C 13 16.293 0.000 . . . . . . A 17 ILE CG2 . 30441 1 216 . 1 . 1 17 17 ILE CD1 C 13 16.238 0.000 . . . . . . A 17 ILE CD1 . 30441 1 217 . 1 . 1 17 17 ILE N N 15 117.133 0.000 . . . . . . A 17 ILE N . 30441 1 218 . 1 . 1 18 18 PHE H H 1 8.043 0.002 . . . . . . A 18 PHE H . 30441 1 219 . 1 . 1 18 18 PHE HA H 1 4.593 0.005 . . . . . . A 18 PHE HA . 30441 1 220 . 1 . 1 18 18 PHE HB2 H 1 3.210 0.001 . . . . . . A 18 PHE HB2 . 30441 1 221 . 1 . 1 18 18 PHE HB3 H 1 2.913 0.005 . . . . . . A 18 PHE HB3 . 30441 1 222 . 1 . 1 18 18 PHE CA C 13 58.200 0.000 . . . . . . A 18 PHE CA . 30441 1 223 . 1 . 1 18 18 PHE CB C 13 38.972 0.019 . . . . . . A 18 PHE CB . 30441 1 224 . 1 . 1 18 18 PHE N N 15 118.762 0.000 . . . . . . A 18 PHE N . 30441 1 225 . 1 . 1 19 19 LYS H H 1 7.653 0.003 . . . . . . A 19 LYS H . 30441 1 226 . 1 . 1 19 19 LYS HA H 1 4.263 0.005 . . . . . . A 19 LYS HA . 30441 1 227 . 1 . 1 19 19 LYS HB2 H 1 1.851 0.001 . . . . . . A 19 LYS HB2 . 30441 1 228 . 1 . 1 19 19 LYS HB3 H 1 1.907 0.001 . . . . . . A 19 LYS HB3 . 30441 1 229 . 1 . 1 19 19 LYS HG2 H 1 1.426 0.001 . . . . . . A 19 LYS HG2 . 30441 1 230 . 1 . 1 19 19 LYS HG3 H 1 1.386 0.001 . . . . . . A 19 LYS HG3 . 30441 1 231 . 1 . 1 19 19 LYS HD2 H 1 1.663 0.000 . . . . . . A 19 LYS HD2 . 30441 1 232 . 1 . 1 19 19 LYS HD3 H 1 1.687 0.001 . . . . . . A 19 LYS HD3 . 30441 1 233 . 1 . 1 19 19 LYS HE2 H 1 2.969 0.001 . . . . . . A 19 LYS HE2 . 30441 1 234 . 1 . 1 19 19 LYS HE3 H 1 2.996 0.000 . . . . . . A 19 LYS HE3 . 30441 1 235 . 1 . 1 19 19 LYS CA C 13 56.372 0.000 . . . . . . A 19 LYS CA . 30441 1 236 . 1 . 1 19 19 LYS CB C 13 32.036 0.002 . . . . . . A 19 LYS CB . 30441 1 237 . 1 . 1 19 19 LYS CG C 13 24.614 0.000 . . . . . . A 19 LYS CG . 30441 1 238 . 1 . 1 19 19 LYS CD C 13 28.905 0.003 . . . . . . A 19 LYS CD . 30441 1 239 . 1 . 1 19 19 LYS CE C 13 41.909 0.001 . . . . . . A 19 LYS CE . 30441 1 240 . 1 . 1 19 19 LYS N N 15 121.377 0.000 . . . . . . A 19 LYS N . 30441 1 stop_ save_