################################### # 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 34074 _Assigned_chem_shift_list.ID 1 _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 COSY' . . . 34074 1 2 '2D 1H-1H TOCSY' . . . 34074 1 3 '2D 1H-1H NOESY' . . . 34074 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.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 GLY HA2 H 1 4.014 0.000 . 2 . . . A 1 GLY HA2 . 34074 1 2 . 1 1 1 1 GLY HA3 H 1 3.936 0.006 . 2 . . . A 1 GLY HA3 . 34074 1 3 . 1 1 1 1 GLY C C 13 171.253 0.000 . 1 . . . A 1 GLY C . 34074 1 4 . 1 1 1 1 GLY CA C 13 43.406 0.000 . 1 . . . A 1 GLY CA . 34074 1 5 . 1 1 2 2 ILE H H 1 8.628 0.002 . 1 . . . A 2 ILE H . 34074 1 6 . 1 1 2 2 ILE HA H 1 4.107 0.001 . 1 . . . A 2 ILE HA . 34074 1 7 . 1 1 2 2 ILE HB H 1 1.894 0.000 . 1 . . . A 2 ILE HB . 34074 1 8 . 1 1 2 2 ILE HG12 H 1 1.571 0.000 . 2 . . . A 2 ILE HG12 . 34074 1 9 . 1 1 2 2 ILE HG13 H 1 1.288 0.001 . 2 . . . A 2 ILE HG13 . 34074 1 10 . 1 1 2 2 ILE HG21 H 1 0.983 0.000 . 1 . . . A 2 ILE HG21 . 34074 1 11 . 1 1 2 2 ILE HG22 H 1 0.983 0.000 . 1 . . . A 2 ILE HG22 . 34074 1 12 . 1 1 2 2 ILE HG23 H 1 0.983 0.000 . 1 . . . A 2 ILE HG23 . 34074 1 13 . 1 1 2 2 ILE HD11 H 1 0.938 0.000 . 1 . . . A 2 ILE HD11 . 34074 1 14 . 1 1 2 2 ILE HD12 H 1 0.938 0.000 . 1 . . . A 2 ILE HD12 . 34074 1 15 . 1 1 2 2 ILE HD13 H 1 0.938 0.000 . 1 . . . A 2 ILE HD13 . 34074 1 16 . 1 1 2 2 ILE C C 13 176.777 0.000 . 1 . . . A 2 ILE C . 34074 1 17 . 1 1 2 2 ILE CA C 13 63.457 0.000 . 1 . . . A 2 ILE CA . 34074 1 18 . 1 1 2 2 ILE CB C 13 38.583 0.000 . 1 . . . A 2 ILE CB . 34074 1 19 . 1 1 2 2 ILE CG1 C 13 24.773 0.000 . 1 . . . A 2 ILE CG1 . 34074 1 20 . 1 1 2 2 ILE CG2 C 13 16.857 0.000 . 1 . . . A 2 ILE CG2 . 34074 1 21 . 1 1 2 2 ILE CD1 C 13 12.608 0.000 . 1 . . . A 2 ILE CD1 . 34074 1 22 . 1 1 2 2 ILE N N 15 120.901 0.000 . 1 . . . A 2 ILE N . 34074 1 23 . 1 1 3 3 LEU H H 1 8.086 0.003 . 1 . . . A 3 LEU H . 34074 1 24 . 1 1 3 3 LEU HA H 1 4.222 0.001 . 1 . . . A 3 LEU HA . 34074 1 25 . 1 1 3 3 LEU HB2 H 1 1.660 0.000 . 2 . . . A 3 LEU HB2 . 34074 1 26 . 1 1 3 3 LEU HB3 H 1 1.537 0.000 . 2 . . . A 3 LEU HB3 . 34074 1 27 . 1 1 3 3 LEU HG H 1 1.656 0.000 . 1 . . . A 3 LEU HG . 34074 1 28 . 1 1 3 3 LEU HD11 H 1 0.964 0.000 . 2 . . . A 3 LEU HD11 . 34074 1 29 . 1 1 3 3 LEU HD12 H 1 0.964 0.000 . 2 . . . A 3 LEU HD12 . 34074 1 30 . 1 1 3 3 LEU HD13 H 1 0.964 0.000 . 2 . . . A 3 LEU HD13 . 34074 1 31 . 1 1 3 3 LEU HD21 H 1 0.882 0.000 . 2 . . . A 3 LEU HD21 . 34074 1 32 . 1 1 3 3 LEU HD22 H 1 0.882 0.000 . 2 . . . A 3 LEU HD22 . 34074 1 33 . 1 1 3 3 LEU HD23 H 1 0.882 0.000 . 2 . . . A 3 LEU HD23 . 34074 1 34 . 1 1 3 3 LEU CA C 13 57.566 0.000 . 1 . . . A 3 LEU CA . 34074 1 35 . 1 1 3 3 LEU CB C 13 41.324 0.015 . 1 . . . A 3 LEU CB . 34074 1 36 . 1 1 3 3 LEU CG C 13 26.963 0.000 . 1 . . . A 3 LEU CG . 34074 1 37 . 1 1 3 3 LEU N N 15 120.933 0.000 . 1 . . . A 3 LEU N . 34074 1 38 . 1 1 4 4 SER H H 1 8.064 0.002 . 1 . . . A 4 SER H . 34074 1 39 . 1 1 4 4 SER HA H 1 4.267 0.002 . 1 . . . A 4 SER HA . 34074 1 40 . 1 1 4 4 SER HB2 H 1 4.075 0.002 . 2 . . . A 4 SER HB2 . 34074 1 41 . 1 1 4 4 SER HB3 H 1 3.999 0.000 . 2 . . . A 4 SER HB3 . 34074 1 42 . 1 1 4 4 SER C C 13 176.766 0.000 . 1 . . . A 4 SER C . 34074 1 43 . 1 1 4 4 SER CA C 13 61.434 0.000 . 1 . . . A 4 SER CA . 34074 1 44 . 1 1 4 4 SER CB C 13 62.894 0.000 . 1 . . . A 4 SER CB . 34074 1 45 . 1 1 4 4 SER N N 15 113.235 0.000 . 1 . . . A 4 SER N . 34074 1 46 . 1 1 5 5 SER H H 1 8.009 0.003 . 1 . . . A 5 SER H . 34074 1 47 . 1 1 5 5 SER HA H 1 4.367 0.001 . 1 . . . A 5 SER HA . 34074 1 48 . 1 1 5 5 SER HB2 H 1 4.085 0.000 . 2 . . . A 5 SER HB2 . 34074 1 49 . 1 1 5 5 SER HB3 H 1 3.988 0.000 . 2 . . . A 5 SER HB3 . 34074 1 50 . 1 1 5 5 SER C C 13 175.945 0.000 . 1 . . . A 5 SER C . 34074 1 51 . 1 1 5 5 SER CA C 13 61.738 0.000 . 1 . . . A 5 SER CA . 34074 1 52 . 1 1 5 5 SER CB C 13 62.823 0.000 . 1 . . . A 5 SER CB . 34074 1 53 . 1 1 5 5 SER N N 15 117.047 0.000 . 1 . . . A 5 SER N . 34074 1 54 . 1 1 6 6 LEU H H 1 8.030 0.003 . 1 . . . A 6 LEU H . 34074 1 55 . 1 1 6 6 LEU HA H 1 4.207 0.002 . 1 . . . A 6 LEU HA . 34074 1 56 . 1 1 6 6 LEU HB2 H 1 1.778 0.000 . 2 . . . A 6 LEU HB2 . 34074 1 57 . 1 1 6 6 LEU HB3 H 1 1.778 0.000 . 2 . . . A 6 LEU HB3 . 34074 1 58 . 1 1 6 6 LEU HG H 1 1.690 0.000 . 1 . . . A 6 LEU HG . 34074 1 59 . 1 1 6 6 LEU HD11 H 1 0.938 0.000 . 2 . . . A 6 LEU HD11 . 34074 1 60 . 1 1 6 6 LEU HD12 H 1 0.938 0.000 . 2 . . . A 6 LEU HD12 . 34074 1 61 . 1 1 6 6 LEU HD13 H 1 0.938 0.000 . 2 . . . A 6 LEU HD13 . 34074 1 62 . 1 1 6 6 LEU HD21 H 1 0.872 0.000 . 2 . . . A 6 LEU HD21 . 34074 1 63 . 1 1 6 6 LEU HD22 H 1 0.872 0.000 . 2 . . . A 6 LEU HD22 . 34074 1 64 . 1 1 6 6 LEU HD23 H 1 0.872 0.000 . 2 . . . A 6 LEU HD23 . 34074 1 65 . 1 1 6 6 LEU CA C 13 57.942 0.000 . 1 . . . A 6 LEU CA . 34074 1 66 . 1 1 6 6 LEU CB C 13 41.896 0.000 . 1 . . . A 6 LEU CB . 34074 1 67 . 1 1 6 6 LEU N N 15 123.666 0.000 . 1 . . . A 6 LEU N . 34074 1 68 . 1 1 7 7 TRP H H 1 8.323 0.003 . 1 . . . A 7 TRP H . 34074 1 69 . 1 1 7 7 TRP HA H 1 4.476 0.001 . 1 . . . A 7 TRP HA . 34074 1 70 . 1 1 7 7 TRP HB2 H 1 3.398 0.002 . 2 . . . A 7 TRP HB2 . 34074 1 71 . 1 1 7 7 TRP HB3 H 1 3.398 0.002 . 2 . . . A 7 TRP HB3 . 34074 1 72 . 1 1 7 7 TRP HD1 H 1 7.193 0.003 . 1 . . . A 7 TRP HD1 . 34074 1 73 . 1 1 7 7 TRP HE1 H 1 9.729 0.004 . 1 . . . A 7 TRP HE1 . 34074 1 74 . 1 1 7 7 TRP HE3 H 1 7.557 0.002 . 1 . . . A 7 TRP HE3 . 34074 1 75 . 1 1 7 7 TRP HZ2 H 1 7.447 0.001 . 1 . . . A 7 TRP HZ2 . 34074 1 76 . 1 1 7 7 TRP HZ3 H 1 7.061 0.003 . 1 . . . A 7 TRP HZ3 . 34074 1 77 . 1 1 7 7 TRP HH2 H 1 7.191 0.000 . 1 . . . A 7 TRP HH2 . 34074 1 78 . 1 1 7 7 TRP CA C 13 60.244 0.000 . 1 . . . A 7 TRP CA . 34074 1 79 . 1 1 7 7 TRP CB C 13 29.145 0.000 . 1 . . . A 7 TRP CB . 34074 1 80 . 1 1 7 7 TRP CG C 13 111.878 0.000 . 1 . . . A 7 TRP CG . 34074 1 81 . 1 1 7 7 TRP CD1 C 13 126.129 0.000 . 1 . . . A 7 TRP CD1 . 34074 1 82 . 1 1 7 7 TRP CD2 C 13 129.720 0.000 . 1 . . . A 7 TRP CD2 . 34074 1 83 . 1 1 7 7 TRP CE2 C 13 129.741 0.000 . 1 . . . A 7 TRP CE2 . 34074 1 84 . 1 1 7 7 TRP CE3 C 13 120.742 0.000 . 1 . . . A 7 TRP CE3 . 34074 1 85 . 1 1 7 7 TRP CZ2 C 13 114.267 0.000 . 1 . . . A 7 TRP CZ2 . 34074 1 86 . 1 1 7 7 TRP CZ3 C 13 121.597 0.000 . 1 . . . A 7 TRP CZ3 . 34074 1 87 . 1 1 7 7 TRP CH2 C 13 124.330 0.000 . 1 . . . A 7 TRP CH2 . 34074 1 88 . 1 1 7 7 TRP N N 15 118.743 0.000 . 1 . . . A 7 TRP N . 34074 1 89 . 1 1 7 7 TRP NE1 N 15 126.199 0.000 . 1 . . . A 7 TRP NE1 . 34074 1 90 . 1 1 8 8 LYS H H 1 7.793 0.002 . 1 . . . A 8 LYS H . 34074 1 91 . 1 1 8 8 LYS HA H 1 3.845 0.002 . 1 . . . A 8 LYS HA . 34074 1 92 . 1 1 8 8 LYS HB2 H 1 1.962 0.000 . 2 . . . A 8 LYS HB2 . 34074 1 93 . 1 1 8 8 LYS HB3 H 1 1.921 0.000 . 2 . . . A 8 LYS HB3 . 34074 1 94 . 1 1 8 8 LYS HG2 H 1 1.674 0.000 . 2 . . . A 8 LYS HG2 . 34074 1 95 . 1 1 8 8 LYS HG3 H 1 1.418 0.000 . 2 . . . A 8 LYS HG3 . 34074 1 96 . 1 1 8 8 LYS HD2 H 1 1.753 0.000 . 2 . . . A 8 LYS HD2 . 34074 1 97 . 1 1 8 8 LYS HD3 H 1 1.753 0.000 . 2 . . . A 8 LYS HD3 . 34074 1 98 . 1 1 8 8 LYS HE2 H 1 3.028 0.000 . 2 . . . A 8 LYS HE2 . 34074 1 99 . 1 1 8 8 LYS HE3 H 1 3.028 0.000 . 2 . . . A 8 LYS HE3 . 34074 1 100 . 1 1 8 8 LYS C C 13 178.725 0.000 . 1 . . . A 8 LYS C . 34074 1 101 . 1 1 8 8 LYS CA C 13 60.047 0.000 . 1 . . . A 8 LYS CA . 34074 1 102 . 1 1 8 8 LYS N N 15 116.208 0.000 . 1 . . . A 8 LYS N . 34074 1 103 . 1 1 9 9 LYS H H 1 7.606 0.003 . 1 . . . A 9 LYS H . 34074 1 104 . 1 1 9 9 LYS HA H 1 4.097 0.000 . 1 . . . A 9 LYS HA . 34074 1 105 . 1 1 9 9 LYS HB2 H 1 2.018 0.000 . 2 . . . A 9 LYS HB2 . 34074 1 106 . 1 1 9 9 LYS HB3 H 1 2.018 0.000 . 2 . . . A 9 LYS HB3 . 34074 1 107 . 1 1 9 9 LYS HG2 H 1 1.637 0.000 . 2 . . . A 9 LYS HG2 . 34074 1 108 . 1 1 9 9 LYS HG3 H 1 1.449 0.000 . 2 . . . A 9 LYS HG3 . 34074 1 109 . 1 1 9 9 LYS HD2 H 1 1.694 0.000 . 2 . . . A 9 LYS HD2 . 34074 1 110 . 1 1 9 9 LYS HD3 H 1 1.694 0.000 . 2 . . . A 9 LYS HD3 . 34074 1 111 . 1 1 9 9 LYS CA C 13 59.233 0.000 . 1 . . . A 9 LYS CA . 34074 1 112 . 1 1 9 9 LYS N N 15 118.349 0.000 . 1 . . . A 9 LYS N . 34074 1 113 . 1 1 10 10 LEU H H 1 8.450 0.002 . 1 . . . A 10 LEU H . 34074 1 114 . 1 1 10 10 LEU HA H 1 4.098 0.001 . 1 . . . A 10 LEU HA . 34074 1 115 . 1 1 10 10 LEU HB2 H 1 1.791 0.000 . 2 . . . A 10 LEU HB2 . 34074 1 116 . 1 1 10 10 LEU HB3 H 1 1.580 0.004 . 2 . . . A 10 LEU HB3 . 34074 1 117 . 1 1 10 10 LEU HG H 1 1.780 0.000 . 1 . . . A 10 LEU HG . 34074 1 118 . 1 1 10 10 LEU HD11 H 1 0.870 0.001 . 2 . . . A 10 LEU HD11 . 34074 1 119 . 1 1 10 10 LEU HD12 H 1 0.870 0.001 . 2 . . . A 10 LEU HD12 . 34074 1 120 . 1 1 10 10 LEU HD13 H 1 0.870 0.001 . 2 . . . A 10 LEU HD13 . 34074 1 121 . 1 1 10 10 LEU HD21 H 1 0.870 0.001 . 2 . . . A 10 LEU HD21 . 34074 1 122 . 1 1 10 10 LEU HD22 H 1 0.870 0.001 . 2 . . . A 10 LEU HD22 . 34074 1 123 . 1 1 10 10 LEU HD23 H 1 0.870 0.001 . 2 . . . A 10 LEU HD23 . 34074 1 124 . 1 1 10 10 LEU CA C 13 57.794 0.000 . 1 . . . A 10 LEU CA . 34074 1 125 . 1 1 10 10 LEU CB C 13 41.887 0.000 . 1 . . . A 10 LEU CB . 34074 1 126 . 1 1 10 10 LEU CG C 13 26.812 0.000 . 1 . . . A 10 LEU CG . 34074 1 127 . 1 1 10 10 LEU CD1 C 13 22.794 0.000 . 2 . . . A 10 LEU CD1 . 34074 1 128 . 1 1 10 10 LEU N N 15 119.189 0.000 . 1 . . . A 10 LEU N . 34074 1 129 . 1 1 11 11 LYS H H 1 8.185 0.002 . 1 . . . A 11 LYS H . 34074 1 130 . 1 1 11 11 LYS HA H 1 3.793 0.002 . 1 . . . A 11 LYS HA . 34074 1 131 . 1 1 11 11 LYS HB2 H 1 1.673 0.000 . 2 . . . A 11 LYS HB2 . 34074 1 132 . 1 1 11 11 LYS HB3 H 1 1.622 0.000 . 2 . . . A 11 LYS HB3 . 34074 1 133 . 1 1 11 11 LYS HG2 H 1 1.313 0.000 . 2 . . . A 11 LYS HG2 . 34074 1 134 . 1 1 11 11 LYS HG3 H 1 1.313 0.000 . 2 . . . A 11 LYS HG3 . 34074 1 135 . 1 1 11 11 LYS HD2 H 1 1.548 0.000 . 2 . . . A 11 LYS HD2 . 34074 1 136 . 1 1 11 11 LYS HD3 H 1 1.548 0.000 . 2 . . . A 11 LYS HD3 . 34074 1 137 . 1 1 11 11 LYS C C 13 178.410 0.000 . 1 . . . A 11 LYS C . 34074 1 138 . 1 1 11 11 LYS CA C 13 59.470 0.000 . 1 . . . A 11 LYS CA . 34074 1 139 . 1 1 11 11 LYS N N 15 116.882 0.000 . 1 . . . A 11 LYS N . 34074 1 140 . 1 1 12 12 LYS H H 1 7.442 0.003 . 1 . . . A 12 LYS H . 34074 1 141 . 1 1 12 12 LYS HA H 1 4.082 0.002 . 1 . . . A 12 LYS HA . 34074 1 142 . 1 1 12 12 LYS HB2 H 1 1.998 0.000 . 2 . . . A 12 LYS HB2 . 34074 1 143 . 1 1 12 12 LYS HB3 H 1 1.998 0.000 . 2 . . . A 12 LYS HB3 . 34074 1 144 . 1 1 12 12 LYS HG2 H 1 1.633 0.000 . 2 . . . A 12 LYS HG2 . 34074 1 145 . 1 1 12 12 LYS HG3 H 1 1.474 0.000 . 2 . . . A 12 LYS HG3 . 34074 1 146 . 1 1 12 12 LYS HD2 H 1 1.733 0.000 . 2 . . . A 12 LYS HD2 . 34074 1 147 . 1 1 12 12 LYS HD3 H 1 1.733 0.000 . 2 . . . A 12 LYS HD3 . 34074 1 148 . 1 1 12 12 LYS C C 13 178.183 0.000 . 1 . . . A 12 LYS C . 34074 1 149 . 1 1 12 12 LYS CA C 13 58.951 0.000 . 1 . . . A 12 LYS CA . 34074 1 150 . 1 1 12 12 LYS N N 15 117.177 0.000 . 1 . . . A 12 LYS N . 34074 1 151 . 1 1 13 13 ILE H H 1 7.815 0.003 . 1 . . . A 13 ILE H . 34074 1 152 . 1 1 13 13 ILE HA H 1 3.828 0.002 . 1 . . . A 13 ILE HA . 34074 1 153 . 1 1 13 13 ILE HB H 1 2.058 0.001 . 1 . . . A 13 ILE HB . 34074 1 154 . 1 1 13 13 ILE HG12 H 1 1.755 0.000 . 2 . . . A 13 ILE HG12 . 34074 1 155 . 1 1 13 13 ILE HG13 H 1 1.178 0.000 . 2 . . . A 13 ILE HG13 . 34074 1 156 . 1 1 13 13 ILE HG21 H 1 0.936 0.000 . 1 . . . A 13 ILE HG21 . 34074 1 157 . 1 1 13 13 ILE HG22 H 1 0.936 0.000 . 1 . . . A 13 ILE HG22 . 34074 1 158 . 1 1 13 13 ILE HG23 H 1 0.936 0.000 . 1 . . . A 13 ILE HG23 . 34074 1 159 . 1 1 13 13 ILE HD11 H 1 0.875 0.000 . 1 . . . A 13 ILE HD11 . 34074 1 160 . 1 1 13 13 ILE HD12 H 1 0.875 0.000 . 1 . . . A 13 ILE HD12 . 34074 1 161 . 1 1 13 13 ILE HD13 H 1 0.875 0.000 . 1 . . . A 13 ILE HD13 . 34074 1 162 . 1 1 13 13 ILE CA C 13 64.467 0.000 . 1 . . . A 13 ILE CA . 34074 1 163 . 1 1 13 13 ILE CB C 13 38.517 0.000 . 1 . . . A 13 ILE CB . 34074 1 164 . 1 1 13 13 ILE N N 15 119.108 0.000 . 1 . . . A 13 ILE N . 34074 1 165 . 1 1 14 14 ILE H H 1 8.303 0.002 . 1 . . . A 14 ILE H . 34074 1 166 . 1 1 14 14 ILE HA H 1 3.867 0.002 . 1 . . . A 14 ILE HA . 34074 1 167 . 1 1 14 14 ILE HB H 1 1.901 0.000 . 1 . . . A 14 ILE HB . 34074 1 168 . 1 1 14 14 ILE HG12 H 1 1.657 0.000 . 2 . . . A 14 ILE HG12 . 34074 1 169 . 1 1 14 14 ILE HG13 H 1 1.235 0.000 . 2 . . . A 14 ILE HG13 . 34074 1 170 . 1 1 14 14 ILE HG21 H 1 0.953 0.000 . 1 . . . A 14 ILE HG21 . 34074 1 171 . 1 1 14 14 ILE HG22 H 1 0.953 0.000 . 1 . . . A 14 ILE HG22 . 34074 1 172 . 1 1 14 14 ILE HG23 H 1 0.953 0.000 . 1 . . . A 14 ILE HG23 . 34074 1 173 . 1 1 14 14 ILE HD11 H 1 0.854 0.000 . 1 . . . A 14 ILE HD11 . 34074 1 174 . 1 1 14 14 ILE HD12 H 1 0.854 0.000 . 1 . . . A 14 ILE HD12 . 34074 1 175 . 1 1 14 14 ILE HD13 H 1 0.854 0.000 . 1 . . . A 14 ILE HD13 . 34074 1 176 . 1 1 14 14 ILE C C 13 177.938 0.000 . 1 . . . A 14 ILE C . 34074 1 177 . 1 1 14 14 ILE CA C 13 63.887 0.000 . 1 . . . A 14 ILE CA . 34074 1 178 . 1 1 14 14 ILE CG2 C 13 16.810 0.000 . 1 . . . A 14 ILE CG2 . 34074 1 179 . 1 1 14 14 ILE CD1 C 13 12.585 0.000 . 1 . . . A 14 ILE CD1 . 34074 1 180 . 1 1 14 14 ILE N N 15 119.590 0.000 . 1 . . . A 14 ILE N . 34074 1 181 . 1 1 15 15 ALA H H 1 7.878 0.004 . 1 . . . A 15 ALA H . 34074 1 182 . 1 1 15 15 ALA HA H 1 4.244 0.001 . 1 . . . A 15 ALA HA . 34074 1 183 . 1 1 15 15 ALA HB1 H 1 1.508 0.001 . 1 . . . A 15 ALA HB1 . 34074 1 184 . 1 1 15 15 ALA HB2 H 1 1.508 0.001 . 1 . . . A 15 ALA HB2 . 34074 1 185 . 1 1 15 15 ALA HB3 H 1 1.508 0.001 . 1 . . . A 15 ALA HB3 . 34074 1 186 . 1 1 15 15 ALA C C 13 178.352 0.000 . 1 . . . A 15 ALA C . 34074 1 187 . 1 1 15 15 ALA CA C 13 53.639 0.000 . 1 . . . A 15 ALA CA . 34074 1 188 . 1 1 15 15 ALA CB C 13 18.551 0.000 . 1 . . . A 15 ALA CB . 34074 1 189 . 1 1 15 15 ALA N N 15 121.727 0.000 . 1 . . . A 15 ALA N . 34074 1 190 . 1 1 16 16 LYS H H 1 7.722 0.002 . 1 . . . A 16 LYS H . 34074 1 191 . 1 1 16 16 LYS HA H 1 4.233 0.002 . 1 . . . A 16 LYS HA . 34074 1 192 . 1 1 16 16 LYS HB2 H 1 1.968 0.000 . 2 . . . A 16 LYS HB2 . 34074 1 193 . 1 1 16 16 LYS HB3 H 1 1.968 0.000 . 2 . . . A 16 LYS HB3 . 34074 1 194 . 1 1 16 16 LYS HG2 H 1 1.600 0.000 . 2 . . . A 16 LYS HG2 . 34074 1 195 . 1 1 16 16 LYS HG3 H 1 1.568 0.000 . 2 . . . A 16 LYS HG3 . 34074 1 196 . 1 1 16 16 LYS HD2 H 1 1.749 0.000 . 2 . . . A 16 LYS HD2 . 34074 1 197 . 1 1 16 16 LYS HD3 H 1 1.749 0.000 . 2 . . . A 16 LYS HD3 . 34074 1 198 . 1 1 16 16 LYS HE2 H 1 3.047 0.000 . 2 . . . A 16 LYS HE2 . 34074 1 199 . 1 1 16 16 LYS HE3 H 1 3.047 0.000 . 2 . . . A 16 LYS HE3 . 34074 1 200 . 1 1 16 16 LYS CA C 13 56.684 0.000 . 1 . . . A 16 LYS CA . 34074 1 201 . 1 1 16 16 LYS N N 15 117.914 0.000 . 1 . . . A 16 LYS N . 34074 1 stop_ save_