################################### # 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 30408 _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 TOCSY' . . . 30408 1 2 '2D 1H-1H NOESY' . . . 30408 1 3 '2D 1H-13C HSQC' . . . 30408 1 4 '2D 1H-15N HMQC' . . . 30408 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 1 1 PRO HA H 1 4.390 . . 1 . . . . A 1 PRO HA . 30408 1 2 . 1 1 1 1 PRO HB2 H 1 2.010 . . 1 . . . . A 1 PRO HB2 . 30408 1 3 . 1 1 1 1 PRO HB3 H 1 2.459 . . 1 . . . . A 1 PRO HB3 . 30408 1 4 . 1 1 1 1 PRO HG2 H 1 2.000 . . 1 . . . . A 1 PRO HG2 . 30408 1 5 . 1 1 1 1 PRO HG3 H 1 2.010 . . 1 . . . . A 1 PRO HG3 . 30408 1 6 . 1 1 1 1 PRO HD2 H 1 3.369 . . 1 . . . . A 1 PRO HD2 . 30408 1 7 . 1 1 1 1 PRO HD3 H 1 3.364 . . 1 . . . . A 1 PRO HD3 . 30408 1 8 . 1 1 1 1 PRO CA C 13 62.130 . . 1 . . . . A 1 PRO CA . 30408 1 9 . 1 1 1 1 PRO CB C 13 32.456 . . 1 . . . . A 1 PRO CB . 30408 1 10 . 1 1 1 1 PRO CG C 13 26.430 . . 1 . . . . A 1 PRO CG . 30408 1 11 . 1 1 1 1 PRO CD C 13 49.395 . . 1 . . . . A 1 PRO CD . 30408 1 12 . 1 1 2 2 MET H H 1 7.791 . . 1 . . . . A 2 MET H . 30408 1 13 . 1 1 2 2 MET HA H 1 4.380 . . 1 . . . . A 2 MET HA . 30408 1 14 . 1 1 2 2 MET HB2 H 1 2.030 . . 1 . . . . A 2 MET HB2 . 30408 1 15 . 1 1 2 2 MET HB3 H 1 2.040 . . 1 . . . . A 2 MET HB3 . 30408 1 16 . 1 1 2 2 MET HG2 H 1 2.612 . . 1 . . . . A 2 MET HG2 . 30408 1 17 . 1 1 2 2 MET HG3 H 1 2.612 . . 1 . . . . A 2 MET HG3 . 30408 1 18 . 1 1 2 2 MET HE1 H 1 2.089 . . 1 . . . . A 2 MET HE1 . 30408 1 19 . 1 1 2 2 MET HE2 H 1 2.089 . . 1 . . . . A 2 MET HE2 . 30408 1 20 . 1 1 2 2 MET HE3 H 1 2.089 . . 1 . . . . A 2 MET HE3 . 30408 1 21 . 1 1 2 2 MET CA C 13 56.330 . . 1 . . . . A 2 MET CA . 30408 1 22 . 1 1 2 2 MET CB C 13 32.520 . . 1 . . . . A 2 MET CB . 30408 1 23 . 1 1 2 2 MET CG C 13 31.908 . . 1 . . . . A 2 MET CG . 30408 1 24 . 1 1 2 2 MET CE C 13 16.926 . . 1 . . . . A 2 MET CE . 30408 1 25 . 1 1 2 2 MET N N 15 118.090 . . 1 . . . . A 2 MET N . 30408 1 26 . 1 1 3 3 ALA H H 1 7.828 . . 1 . . . . A 3 ALA H . 30408 1 27 . 1 1 3 3 ALA HA H 1 4.210 . . 1 . . . . A 3 ALA HA . 30408 1 28 . 1 1 3 3 ALA HB1 H 1 1.410 . . 1 . . . . A 3 ALA HB1 . 30408 1 29 . 1 1 3 3 ALA HB2 H 1 1.376 . . 1 . . . . A 3 ALA HB2 . 30408 1 30 . 1 1 3 3 ALA HB3 H 1 1.376 . . 1 . . . . A 3 ALA HB3 . 30408 1 31 . 1 1 3 3 ALA CA C 13 53.090 . . 1 . . . . A 3 ALA CA . 30408 1 32 . 1 1 3 3 ALA CB C 13 18.932 . . 1 . . . . A 3 ALA CB . 30408 1 33 . 1 1 3 3 ALA N N 15 122.160 . . 1 . . . . A 3 ALA N . 30408 1 34 . 1 1 4 4 ARG H H 1 8.355 . . 1 . . . . A 4 ARG H . 30408 1 35 . 1 1 4 4 ARG HA H 1 4.129 . . 1 . . . . A 4 ARG HA . 30408 1 36 . 1 1 4 4 ARG HB2 H 1 1.867 . . 1 . . . . A 4 ARG HB2 . 30408 1 37 . 1 1 4 4 ARG HB3 H 1 1.840 . . 1 . . . . A 4 ARG HB3 . 30408 1 38 . 1 1 4 4 ARG HG2 H 1 1.679 . . 1 . . . . A 4 ARG HG2 . 30408 1 39 . 1 1 4 4 ARG HG3 H 1 1.689 . . 1 . . . . A 4 ARG HG3 . 30408 1 40 . 1 1 4 4 ARG HD2 H 1 3.180 . . 1 . . . . A 4 ARG HD2 . 30408 1 41 . 1 1 4 4 ARG HD3 H 1 3.180 . . 1 . . . . A 4 ARG HD3 . 30408 1 42 . 1 1 4 4 ARG CA C 13 57.410 . . 1 . . . . A 4 ARG CA . 30408 1 43 . 1 1 4 4 ARG CB C 13 29.880 . . 1 . . . . A 4 ARG CB . 30408 1 44 . 1 1 4 4 ARG CG C 13 29.210 . . 1 . . . . A 4 ARG CG . 30408 1 45 . 1 1 4 4 ARG CD C 13 43.420 . . 1 . . . . A 4 ARG CD . 30408 1 46 . 1 1 4 4 ARG N N 15 118.882 . . 1 . . . . A 4 ARG N . 30408 1 47 . 1 1 5 5 ASN H H 1 8.281 . . 1 . . . . A 5 ASN H . 30408 1 48 . 1 1 5 5 ASN HA H 1 4.560 . . 1 . . . . A 5 ASN HA . 30408 1 49 . 1 1 5 5 ASN HB2 H 1 2.811 . . 1 . . . . A 5 ASN HB2 . 30408 1 50 . 1 1 5 5 ASN HB3 H 1 2.844 . . 1 . . . . A 5 ASN HB3 . 30408 1 51 . 1 1 5 5 ASN HD21 H 1 7.620 . . 1 . . . . A 5 ASN HD21 . 30408 1 52 . 1 1 5 5 ASN HD22 H 1 7.050 . . 1 . . . . A 5 ASN HD22 . 30408 1 53 . 1 1 5 5 ASN CA C 13 54.550 . . 1 . . . . A 5 ASN CA . 30408 1 54 . 1 1 5 5 ASN CB C 13 38.254 . . 1 . . . . A 5 ASN CB . 30408 1 55 . 1 1 5 5 ASN N N 15 118.003 . . 1 . . . . A 5 ASN N . 30408 1 56 . 1 1 5 5 ASN ND2 N 15 113.492 . . 1 . . . . A 5 ASN ND2 . 30408 1 57 . 1 1 6 6 LYS H H 1 8.096 . . 1 . . . . A 6 LYS H . 30408 1 58 . 1 1 6 6 LYS HA H 1 4.027 . . 1 . . . . A 6 LYS HA . 30408 1 59 . 1 1 6 6 LYS HB2 H 1 1.887 . . 1 . . . . A 6 LYS HB2 . 30408 1 60 . 1 1 6 6 LYS HB3 H 1 1.881 . . 1 . . . . A 6 LYS HB3 . 30408 1 61 . 1 1 6 6 LYS HG2 H 1 1.540 . . 1 . . . . A 6 LYS HG2 . 30408 1 62 . 1 1 6 6 LYS HD2 H 1 1.680 . . 1 . . . . A 6 LYS HD2 . 30408 1 63 . 1 1 6 6 LYS HE2 H 1 2.920 . . 1 . . . . A 6 LYS HE2 . 30408 1 64 . 1 1 6 6 LYS HE3 H 1 2.920 . . 1 . . . . A 6 LYS HE3 . 30408 1 65 . 1 1 6 6 LYS CA C 13 58.910 . . 1 . . . . A 6 LYS CA . 30408 1 66 . 1 1 6 6 LYS CB C 13 32.430 . . 1 . . . . A 6 LYS CB . 30408 1 67 . 1 1 6 6 LYS CG C 13 25.102 . . 1 . . . . A 6 LYS CG . 30408 1 68 . 1 1 6 6 LYS CD C 13 29.260 . . 1 . . . . A 6 LYS CD . 30408 1 69 . 1 1 6 6 LYS CE C 13 41.910 . . 1 . . . . A 6 LYS CE . 30408 1 70 . 1 1 6 6 LYS N N 15 118.988 . . 1 . . . . A 6 LYS N . 30408 1 71 . 1 1 7 7 LYS H H 1 8.017 . . 1 . . . . A 7 LYS H . 30408 1 72 . 1 1 7 7 LYS HA H 1 4.070 . . 1 . . . . A 7 LYS HA . 30408 1 73 . 1 1 7 7 LYS HB2 H 1 1.630 . . 1 . . . . A 7 LYS HB2 . 30408 1 74 . 1 1 7 7 LYS HB3 H 1 1.670 . . 1 . . . . A 7 LYS HB3 . 30408 1 75 . 1 1 7 7 LYS HG2 H 1 1.380 . . 1 . . . . A 7 LYS HG2 . 30408 1 76 . 1 1 7 7 LYS HG3 H 1 1.380 . . 1 . . . . A 7 LYS HG3 . 30408 1 77 . 1 1 7 7 LYS HD2 H 1 1.683 . . 1 . . . . A 7 LYS HD2 . 30408 1 78 . 1 1 7 7 LYS HE2 H 1 2.936 . . 1 . . . . A 7 LYS HE2 . 30408 1 79 . 1 1 7 7 LYS HE3 H 1 2.936 . . 1 . . . . A 7 LYS HE3 . 30408 1 80 . 1 1 7 7 LYS CA C 13 57.700 . . 1 . . . . A 7 LYS CA . 30408 1 81 . 1 1 7 7 LYS CB C 13 32.460 . . 1 . . . . A 7 LYS CB . 30408 1 82 . 1 1 7 7 LYS CG C 13 25.100 . . 1 . . . . A 7 LYS CG . 30408 1 83 . 1 1 7 7 LYS CD C 13 29.184 . . 1 . . . . A 7 LYS CD . 30408 1 84 . 1 1 7 7 LYS CE C 13 42.023 . . 1 . . . . A 7 LYS CE . 30408 1 85 . 1 1 7 7 LYS N N 15 119.142 . . 1 . . . . A 7 LYS N . 30408 1 86 . 1 1 8 8 LEU H H 1 7.913 . . 1 . . . . A 8 LEU H . 30408 1 87 . 1 1 8 8 LEU HA H 1 3.991 . . 1 . . . . A 8 LEU HA . 30408 1 88 . 1 1 8 8 LEU HB2 H 1 1.550 . . 1 . . . . A 8 LEU HB2 . 30408 1 89 . 1 1 8 8 LEU HB3 H 1 1.620 . . 1 . . . . A 8 LEU HB3 . 30408 1 90 . 1 1 8 8 LEU HG H 1 1.783 . . 1 . . . . A 8 LEU HG . 30408 1 91 . 1 1 8 8 LEU HD11 H 1 0.936 . . 1 . . . . A 8 LEU HD11 . 30408 1 92 . 1 1 8 8 LEU HD12 H 1 0.935 . . 1 . . . . A 8 LEU HD12 . 30408 1 93 . 1 1 8 8 LEU HD13 H 1 0.935 . . 1 . . . . A 8 LEU HD13 . 30408 1 94 . 1 1 8 8 LEU HD21 H 1 0.887 . . 1 . . . . A 8 LEU HD21 . 30408 1 95 . 1 1 8 8 LEU HD22 H 1 0.884 . . 1 . . . . A 8 LEU HD22 . 30408 1 96 . 1 1 8 8 LEU HD23 H 1 0.884 . . 1 . . . . A 8 LEU HD23 . 30408 1 97 . 1 1 8 8 LEU CA C 13 57.730 . . 1 . . . . A 8 LEU CA . 30408 1 98 . 1 1 8 8 LEU CB C 13 41.500 . . 1 . . . . A 8 LEU CB . 30408 1 99 . 1 1 8 8 LEU CG C 13 26.810 . . 1 . . . . A 8 LEU CG . 30408 1 100 . 1 1 8 8 LEU CD1 C 13 24.800 . . 1 . . . . A 8 LEU CD1 . 30408 1 101 . 1 1 8 8 LEU CD2 C 13 24.820 . . 1 . . . . A 8 LEU CD2 . 30408 1 102 . 1 1 8 8 LEU N N 15 117.989 . . 1 . . . . A 8 LEU N . 30408 1 103 . 1 1 9 9 LEU H H 1 7.825 . . 1 . . . . A 9 LEU H . 30408 1 104 . 1 1 9 9 LEU HA H 1 4.003 . . 1 . . . . A 9 LEU HA . 30408 1 105 . 1 1 9 9 LEU HB2 H 1 1.670 . . 1 . . . . A 9 LEU HB2 . 30408 1 106 . 1 1 9 9 LEU HB3 H 1 1.670 . . 1 . . . . A 9 LEU HB3 . 30408 1 107 . 1 1 9 9 LEU HD11 H 1 0.890 . . 1 . . . . A 9 LEU HD11 . 30408 1 108 . 1 1 9 9 LEU HD12 H 1 0.890 . . 1 . . . . A 9 LEU HD12 . 30408 1 109 . 1 1 9 9 LEU HD13 H 1 0.890 . . 1 . . . . A 9 LEU HD13 . 30408 1 110 . 1 1 9 9 LEU HD21 H 1 0.850 . . 1 . . . . A 9 LEU HD21 . 30408 1 111 . 1 1 9 9 LEU HD22 H 1 0.850 . . 1 . . . . A 9 LEU HD22 . 30408 1 112 . 1 1 9 9 LEU HD23 H 1 0.850 . . 1 . . . . A 9 LEU HD23 . 30408 1 113 . 1 1 9 9 LEU CA C 13 57.800 . . 1 . . . . A 9 LEU CA . 30408 1 114 . 1 1 9 9 LEU CD1 C 13 24.700 . . 1 . . . . A 9 LEU CD1 . 30408 1 115 . 1 1 9 9 LEU CD2 C 13 24.447 . . 1 . . . . A 9 LEU CD2 . 30408 1 116 . 1 1 9 9 LEU N N 15 118.099 . . 1 . . . . A 9 LEU N . 30408 1 117 . 1 1 10 10 LYS H H 1 7.725 . . 1 . . . . A 10 LYS H . 30408 1 118 . 1 1 10 10 LYS HA H 1 4.047 . . 1 . . . . A 10 LYS HA . 30408 1 119 . 1 1 10 10 LYS HB2 H 1 2.003 . . 1 . . . . A 10 LYS HB2 . 30408 1 120 . 1 1 10 10 LYS HB3 H 1 1.995 . . 1 . . . . A 10 LYS HB3 . 30408 1 121 . 1 1 10 10 LYS HG2 H 1 1.440 . . 1 . . . . A 10 LYS HG2 . 30408 1 122 . 1 1 10 10 LYS HD2 H 1 1.639 . . 1 . . . . A 10 LYS HD2 . 30408 1 123 . 1 1 10 10 LYS HE2 H 1 2.921 . . 1 . . . . A 10 LYS HE2 . 30408 1 124 . 1 1 10 10 LYS CA C 13 57.670 . . 1 . . . . A 10 LYS CA . 30408 1 125 . 1 1 10 10 LYS CB C 13 32.489 . . 1 . . . . A 10 LYS CB . 30408 1 126 . 1 1 10 10 LYS CG C 13 25.044 . . 1 . . . . A 10 LYS CG . 30408 1 127 . 1 1 10 10 LYS CD C 13 29.183 . . 1 . . . . A 10 LYS CD . 30408 1 128 . 1 1 10 10 LYS CE C 13 41.886 . . 1 . . . . A 10 LYS CE . 30408 1 129 . 1 1 10 10 LYS N N 15 118.065 . . 1 . . . . A 10 LYS N . 30408 1 130 . 1 1 11 11 LYS H H 1 8.123 . . 1 . . . . A 11 LYS H . 30408 1 131 . 1 1 11 11 LYS HA H 1 3.988 . . 1 . . . . A 11 LYS HA . 30408 1 132 . 1 1 11 11 LYS HB2 H 1 1.900 . . 1 . . . . A 11 LYS HB2 . 30408 1 133 . 1 1 11 11 LYS HD2 H 1 1.700 . . 1 . . . . A 11 LYS HD2 . 30408 1 134 . 1 1 11 11 LYS HD3 H 1 1.700 . . 1 . . . . A 11 LYS HD3 . 30408 1 135 . 1 1 11 11 LYS HE2 H 1 2.920 . . 1 . . . . A 11 LYS HE2 . 30408 1 136 . 1 1 11 11 LYS HE3 H 1 2.920 . . 1 . . . . A 11 LYS HE3 . 30408 1 137 . 1 1 11 11 LYS CA C 13 58.970 . . 1 . . . . A 11 LYS CA . 30408 1 138 . 1 1 11 11 LYS CB C 13 32.300 . . 1 . . . . A 11 LYS CB . 30408 1 139 . 1 1 11 11 LYS CD C 13 29.240 . . 1 . . . . A 11 LYS CD . 30408 1 140 . 1 1 11 11 LYS CE C 13 41.830 . . 1 . . . . A 11 LYS CE . 30408 1 141 . 1 1 11 11 LYS N N 15 118.623 . . 1 . . . . A 11 LYS N . 30408 1 142 . 1 1 12 12 LEU H H 1 7.834 . . 1 . . . . A 12 LEU H . 30408 1 143 . 1 1 12 12 LEU HA H 1 4.077 . . 1 . . . . A 12 LEU HA . 30408 1 144 . 1 1 12 12 LEU HG H 1 1.770 . . 1 . . . . A 12 LEU HG . 30408 1 145 . 1 1 12 12 LEU HD11 H 1 0.950 . . 1 . . . . A 12 LEU HD11 . 30408 1 146 . 1 1 12 12 LEU HD12 H 1 0.950 . . 1 . . . . A 12 LEU HD12 . 30408 1 147 . 1 1 12 12 LEU HD13 H 1 0.950 . . 1 . . . . A 12 LEU HD13 . 30408 1 148 . 1 1 12 12 LEU HD21 H 1 0.900 . . 1 . . . . A 12 LEU HD21 . 30408 1 149 . 1 1 12 12 LEU HD22 H 1 0.900 . . 1 . . . . A 12 LEU HD22 . 30408 1 150 . 1 1 12 12 LEU HD23 H 1 0.900 . . 1 . . . . A 12 LEU HD23 . 30408 1 151 . 1 1 12 12 LEU CA C 13 57.684 . . 1 . . . . A 12 LEU CA . 30408 1 152 . 1 1 12 12 LEU CG C 13 27.070 . . 1 . . . . A 12 LEU CG . 30408 1 153 . 1 1 12 12 LEU CD1 C 13 24.630 . . 1 . . . . A 12 LEU CD1 . 30408 1 154 . 1 1 12 12 LEU CD2 C 13 24.340 . . 1 . . . . A 12 LEU CD2 . 30408 1 155 . 1 1 12 12 LEU N N 15 118.073 . . 1 . . . . A 12 LEU N . 30408 1 156 . 1 1 13 13 ARG H H 1 8.142 . . 1 . . . . A 13 ARG H . 30408 1 157 . 1 1 13 13 ARG HA H 1 3.941 . . 1 . . . . A 13 ARG HA . 30408 1 158 . 1 1 13 13 ARG HB2 H 1 1.903 . . 1 . . . . A 13 ARG HB2 . 30408 1 159 . 1 1 13 13 ARG HB3 H 1 1.980 . . 1 . . . . A 13 ARG HB3 . 30408 1 160 . 1 1 13 13 ARG HG3 H 1 1.670 . . 1 . . . . A 13 ARG HG3 . 30408 1 161 . 1 1 13 13 ARG HD2 H 1 3.160 . . 1 . . . . A 13 ARG HD2 . 30408 1 162 . 1 1 13 13 ARG HD3 H 1 3.142 . . 1 . . . . A 13 ARG HD3 . 30408 1 163 . 1 1 13 13 ARG CA C 13 58.950 . . 1 . . . . A 13 ARG CA . 30408 1 164 . 1 1 13 13 ARG CB C 13 32.434 . . 1 . . . . A 13 ARG CB . 30408 1 165 . 1 1 13 13 ARG CG C 13 29.200 . . 1 . . . . A 13 ARG CG . 30408 1 166 . 1 1 13 13 ARG CD C 13 43.535 . . 1 . . . . A 13 ARG CD . 30408 1 167 . 1 1 13 13 ARG N N 15 117.790 . . 1 . . . . A 13 ARG N . 30408 1 168 . 1 1 14 14 LEU H H 1 7.680 . . 1 . . . . A 14 LEU H . 30408 1 169 . 1 1 14 14 LEU HA H 1 4.189 . . 1 . . . . A 14 LEU HA . 30408 1 170 . 1 1 14 14 LEU HB2 H 1 1.590 . . 1 . . . . A 14 LEU HB2 . 30408 1 171 . 1 1 14 14 LEU HB3 H 1 1.510 . . 1 . . . . A 14 LEU HB3 . 30408 1 172 . 1 1 14 14 LEU HG H 1 1.780 . . 1 . . . . A 14 LEU HG . 30408 1 173 . 1 1 14 14 LEU HD11 H 1 0.914 . . 1 . . . . A 14 LEU HD11 . 30408 1 174 . 1 1 14 14 LEU HD12 H 1 0.914 . . 1 . . . . A 14 LEU HD12 . 30408 1 175 . 1 1 14 14 LEU HD13 H 1 0.914 . . 1 . . . . A 14 LEU HD13 . 30408 1 176 . 1 1 14 14 LEU HD21 H 1 0.878 . . 1 . . . . A 14 LEU HD21 . 30408 1 177 . 1 1 14 14 LEU HD22 H 1 0.878 . . 1 . . . . A 14 LEU HD22 . 30408 1 178 . 1 1 14 14 LEU HD23 H 1 0.878 . . 1 . . . . A 14 LEU HD23 . 30408 1 179 . 1 1 14 14 LEU CA C 13 56.600 . . 1 . . . . A 14 LEU CA . 30408 1 180 . 1 1 14 14 LEU CB C 13 41.760 . . 1 . . . . A 14 LEU CB . 30408 1 181 . 1 1 14 14 LEU CG C 13 26.843 . . 1 . . . . A 14 LEU CG . 30408 1 182 . 1 1 14 14 LEU CD1 C 13 25.160 . . 1 . . . . A 14 LEU CD1 . 30408 1 183 . 1 1 14 14 LEU CD2 C 13 24.210 . . 1 . . . . A 14 LEU CD2 . 30408 1 184 . 1 1 14 14 LEU N N 15 117.936 . . 1 . . . . A 14 LEU N . 30408 1 185 . 1 1 15 15 LYS H H 1 7.815 . . 1 . . . . A 15 LYS H . 30408 1 186 . 1 1 15 15 LYS HA H 1 3.953 . . 1 . . . . A 15 LYS HA . 30408 1 187 . 1 1 15 15 LYS HE2 H 1 2.950 . . 1 . . . . A 15 LYS HE2 . 30408 1 188 . 1 1 15 15 LYS HE3 H 1 2.950 . . 1 . . . . A 15 LYS HE3 . 30408 1 189 . 1 1 15 15 LYS CA C 13 57.670 . . 1 . . . . A 15 LYS CA . 30408 1 190 . 1 1 15 15 LYS CE C 13 42.061 . . 1 . . . . A 15 LYS CE . 30408 1 191 . 1 1 15 15 LYS N N 15 118.083 . . 1 . . . . A 15 LYS N . 30408 1 192 . 1 1 16 16 ILE H H 1 7.558 . . 1 . . . . A 16 ILE H . 30408 1 193 . 1 1 16 16 ILE HA H 1 4.054 . . 1 . . . . A 16 ILE HA . 30408 1 194 . 1 1 16 16 ILE HB H 1 1.922 . . 1 . . . . A 16 ILE HB . 30408 1 195 . 1 1 16 16 ILE HG12 H 1 1.201 . . 1 . . . . A 16 ILE HG12 . 30408 1 196 . 1 1 16 16 ILE HG13 H 1 1.520 . . 1 . . . . A 16 ILE HG13 . 30408 1 197 . 1 1 16 16 ILE HG21 H 1 0.792 . . 1 . . . . A 16 ILE HG21 . 30408 1 198 . 1 1 16 16 ILE HG22 H 1 0.792 . . 1 . . . . A 16 ILE HG22 . 30408 1 199 . 1 1 16 16 ILE HG23 H 1 0.792 . . 1 . . . . A 16 ILE HG23 . 30408 1 200 . 1 1 16 16 ILE HD11 H 1 0.800 . . 1 . . . . A 16 ILE HD11 . 30408 1 201 . 1 1 16 16 ILE HD12 H 1 0.800 . . 1 . . . . A 16 ILE HD12 . 30408 1 202 . 1 1 16 16 ILE HD13 H 1 0.800 . . 1 . . . . A 16 ILE HD13 . 30408 1 203 . 1 1 16 16 ILE CA C 13 61.020 . . 1 . . . . A 16 ILE CA . 30408 1 204 . 1 1 16 16 ILE CB C 13 38.206 . . 1 . . . . A 16 ILE CB . 30408 1 205 . 1 1 16 16 ILE CG1 C 13 25.264 . . 1 . . . . A 16 ILE CG1 . 30408 1 206 . 1 1 16 16 ILE CG2 C 13 17.883 . . 1 . . . . A 16 ILE CG2 . 30408 1 207 . 1 1 16 16 ILE CD1 C 13 13.799 . . 1 . . . . A 16 ILE CD1 . 30408 1 208 . 1 1 16 16 ILE N N 15 116.559 . . 1 . . . . A 16 ILE N . 30408 1 209 . 1 1 17 17 ALA H H 1 7.613 . . 1 . . . . A 17 ALA H . 30408 1 210 . 1 1 17 17 ALA HA H 1 4.320 . . 1 . . . . A 17 ALA HA . 30408 1 211 . 1 1 17 17 ALA HB1 H 1 1.314 . . 1 . . . . A 17 ALA HB1 . 30408 1 212 . 1 1 17 17 ALA HB2 H 1 1.314 . . 1 . . . . A 17 ALA HB2 . 30408 1 213 . 1 1 17 17 ALA HB3 H 1 1.314 . . 1 . . . . A 17 ALA HB3 . 30408 1 214 . 1 1 17 17 ALA CA C 13 51.830 . . 1 . . . . A 17 ALA CA . 30408 1 215 . 1 1 17 17 ALA CB C 13 19.500 . . 1 . . . . A 17 ALA CB . 30408 1 216 . 1 1 17 17 ALA N N 15 121.093 . . 1 . . . . A 17 ALA N . 30408 1 217 . 1 1 18 18 PHE H H 1 8.196 . . 1 . . . . A 18 PHE H . 30408 1 218 . 1 1 18 18 PHE HA H 1 4.570 . . 1 . . . . A 18 PHE HA . 30408 1 219 . 1 1 18 18 PHE HB2 H 1 3.001 . . 1 . . . . A 18 PHE HB2 . 30408 1 220 . 1 1 18 18 PHE HB3 H 1 3.203 . . 1 . . . . A 18 PHE HB3 . 30408 1 221 . 1 1 18 18 PHE HD1 H 1 7.312 . . 1 . . . . A 18 PHE HD1 . 30408 1 222 . 1 1 18 18 PHE HD2 H 1 7.322 . . 1 . . . . A 18 PHE HD2 . 30408 1 223 . 1 1 18 18 PHE HE1 H 1 7.282 . . 1 . . . . A 18 PHE HE1 . 30408 1 224 . 1 1 18 18 PHE HE2 H 1 7.284 . . 1 . . . . A 18 PHE HE2 . 30408 1 225 . 1 1 18 18 PHE HZ H 1 7.171 . . 1 . . . . A 18 PHE HZ . 30408 1 226 . 1 1 18 18 PHE CA C 13 57.774 . . 1 . . . . A 18 PHE CA . 30408 1 227 . 1 1 18 18 PHE CB C 13 39.395 . . 1 . . . . A 18 PHE CB . 30408 1 228 . 1 1 18 18 PHE CD1 C 13 132.002 . . 1 . . . . A 18 PHE CD1 . 30408 1 229 . 1 1 18 18 PHE CD2 C 13 132.095 . . 1 . . . . A 18 PHE CD2 . 30408 1 230 . 1 1 18 18 PHE CE1 C 13 130.836 . . 1 . . . . A 18 PHE CE1 . 30408 1 231 . 1 1 18 18 PHE CE2 C 13 130.874 . . 1 . . . . A 18 PHE CE2 . 30408 1 232 . 1 1 18 18 PHE CZ C 13 129.024 . . 1 . . . . A 18 PHE CZ . 30408 1 233 . 1 1 18 18 PHE N N 15 118.683 . . 1 . . . . A 18 PHE N . 30408 1 234 . 1 1 19 19 LYS H H 1 7.832 . . 1 . . . . A 19 LYS H . 30408 1 235 . 1 1 19 19 LYS HA H 1 4.180 . . 1 . . . . A 19 LYS HA . 30408 1 236 . 1 1 19 19 LYS HB3 H 1 1.928 . . 1 . . . . A 19 LYS HB3 . 30408 1 237 . 1 1 19 19 LYS HG3 H 1 1.540 . . 1 . . . . A 19 LYS HG3 . 30408 1 238 . 1 1 19 19 LYS HD3 H 1 1.678 . . 1 . . . . A 19 LYS HD3 . 30408 1 239 . 1 1 19 19 LYS HE2 H 1 2.960 . . 1 . . . . A 19 LYS HE2 . 30408 1 240 . 1 1 19 19 LYS HE3 H 1 2.960 . . 1 . . . . A 19 LYS HE3 . 30408 1 241 . 1 1 19 19 LYS CA C 13 61.230 . . 1 . . . . A 19 LYS CA . 30408 1 242 . 1 1 19 19 LYS CB C 13 32.420 . . 1 . . . . A 19 LYS CB . 30408 1 243 . 1 1 19 19 LYS CG C 13 25.260 . . 1 . . . . A 19 LYS CG . 30408 1 244 . 1 1 19 19 LYS CE C 13 41.995 . . 1 . . . . A 19 LYS CE . 30408 1 245 . 1 1 19 19 LYS N N 15 118.084 . . 1 . . . . A 19 LYS N . 30408 1 stop_ save_