################################### # 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_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 25490 _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 $chemical_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' . . . 25490 1 2 '2D DQF-COSY' . . . 25490 1 3 '2D 1H-1H NOESY' . . . 25490 1 4 '2D 1H-15N HSQC' . . . 25490 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 3.9600 0.05 . 2 . . . A 1 GLY HA2 . 25490 1 2 . 1 1 1 1 GLY HA3 H 1 4.0400 0.05 . 2 . . . A 1 GLY HA3 . 25490 1 3 . 1 1 1 1 GLY C C 13 171.32 0.2 . 1 . . . A 1 GLY C . 25490 1 4 . 1 1 1 1 GLY CA C 13 43.391 0.2 . 1 . . . A 1 GLY CA . 25490 1 5 . 1 1 2 2 GLU H H 1 9.0590 0.05 . 1 . . . A 2 GLU H . 25490 1 6 . 1 1 2 2 GLU HA H 1 4.0250 0.05 . 1 . . . A 2 GLU HA . 25490 1 7 . 1 1 2 2 GLU HB2 H 1 2.1010 0.05 . 2 . . . A 2 GLU HB2 . 25490 1 8 . 1 1 2 2 GLU HG2 H 1 2.3910 0.05 . 2 . . . A 2 GLU HG2 . 25490 1 9 . 1 1 2 2 GLU HG3 H 1 2.3600 0.05 . 2 . . . A 2 GLU HG3 . 25490 1 10 . 1 1 2 2 GLU C C 13 179.40 0.2 . 1 . . . A 2 GLU C . 25490 1 11 . 1 1 2 2 GLU CA C 13 60.006 0.2 . 1 . . . A 2 GLU CA . 25490 1 12 . 1 1 2 2 GLU CB C 13 29.592 0.2 . 1 . . . A 2 GLU CB . 25490 1 13 . 1 1 2 2 GLU CG C 13 36.401 0.2 . 1 . . . A 2 GLU CG . 25490 1 14 . 1 1 2 2 GLU N N 15 121.79 0.3 . 1 . . . A 2 GLU N . 25490 1 15 . 1 1 3 3 CGU C C 13 179.27 0.2 . 1 . . . A 3 CGU C . 25490 1 16 . 1 1 3 3 CGU CA C 13 57.517 0.2 . 1 . . . A 3 CGU CA . 25490 1 17 . 1 1 3 3 CGU CB C 13 30.120 0.2 . 1 . . . A 3 CGU CB . 25490 1 18 . 1 1 3 3 CGU CG C 13 54.306 0.2 . 1 . . . A 3 CGU CG . 25490 1 19 . 1 1 3 3 CGU H H 1 9.1470 0.05 . 1 . . . A 3 CGU H . 25490 1 20 . 1 1 3 3 CGU HA H 1 4.4310 0.05 . 1 . . . A 3 CGU HA . 25490 1 21 . 1 1 3 3 CGU HB2 H 1 2.1880 0.05 . 2 . . . A 3 CGU HB2 . 25490 1 22 . 1 1 3 3 CGU HB3 H 1 1.9030 0.05 . 2 . . . A 3 CGU HB3 . 25490 1 23 . 1 1 3 3 CGU HG H 1 3.5220 0.05 . 1 . . . A 3 CGU HG . 25490 1 24 . 1 1 3 3 CGU N N 15 121.19 0.3 . 1 . . . A 3 CGU N . 25490 1 25 . 1 1 4 4 CGU C C 13 179.71 0.2 . 1 . . . A 4 CGU C . 25490 1 26 . 1 1 4 4 CGU CA C 13 59.422 0.2 . 1 . . . A 4 CGU CA . 25490 1 27 . 1 1 4 4 CGU CB C 13 33.082 0.2 . 1 . . . A 4 CGU CB . 25490 1 28 . 1 1 4 4 CGU CG C 13 59.888 0.2 . 1 . . . A 4 CGU CG . 25490 1 29 . 1 1 4 4 CGU H H 1 7.8870 0.05 . 1 . . . A 4 CGU H . 25490 1 30 . 1 1 4 4 CGU HA H 1 3.9660 0.05 . 1 . . . A 4 CGU HA . 25490 1 31 . 1 1 4 4 CGU HB2 H 1 2.4480 0.05 . 2 . . . A 4 CGU HB2 . 25490 1 32 . 1 1 4 4 CGU HB3 H 1 2.0540 0.05 . 2 . . . A 4 CGU HB3 . 25490 1 33 . 1 1 4 4 CGU HG H 1 3.2400 0.05 . 1 . . . A 4 CGU HG . 25490 1 34 . 1 1 4 4 CGU N N 15 119.61 0.3 . 1 . . . A 4 CGU N . 25490 1 35 . 1 1 5 5 LEU H H 1 7.5060 0.05 . 1 . . . A 5 LEU H . 25490 1 36 . 1 1 5 5 LEU HA H 1 4.1110 0.05 . 1 . . . A 5 LEU HA . 25490 1 37 . 1 1 5 5 LEU HB2 H 1 1.5700 0.05 . 2 . . . A 5 LEU HB2 . 25490 1 38 . 1 1 5 5 LEU HB3 H 1 1.5700 0.05 . 2 . . . A 5 LEU HB3 . 25490 1 39 . 1 1 5 5 LEU HG H 1 1.7820 0.05 . 1 . . . A 5 LEU HG . 25490 1 40 . 1 1 5 5 LEU HD11 H 1 0.88000 0.05 . 2 . . . A 5 LEU HD11 . 25490 1 41 . 1 1 5 5 LEU HD12 H 1 0.88000 0.05 . 2 . . . A 5 LEU HD12 . 25490 1 42 . 1 1 5 5 LEU HD13 H 1 0.88000 0.05 . 2 . . . A 5 LEU HD13 . 25490 1 43 . 1 1 5 5 LEU HD21 H 1 0.90600 0.05 . 2 . . . A 5 LEU HD21 . 25490 1 44 . 1 1 5 5 LEU HD22 H 1 0.90600 0.05 . 2 . . . A 5 LEU HD22 . 25490 1 45 . 1 1 5 5 LEU HD23 H 1 0.90600 0.05 . 2 . . . A 5 LEU HD23 . 25490 1 46 . 1 1 5 5 LEU C C 13 179.81 0.2 . 1 . . . A 5 LEU C . 25490 1 47 . 1 1 5 5 LEU CA C 13 57.402 0.2 . 1 . . . A 5 LEU CA . 25490 1 48 . 1 1 5 5 LEU CB C 13 42.072 0.2 . 1 . . . A 5 LEU CB . 25490 1 49 . 1 1 5 5 LEU CG C 13 26.892 0.2 . 1 . . . A 5 LEU CG . 25490 1 50 . 1 1 5 5 LEU CD1 C 13 23.262 0.2 . 2 . . . A 5 LEU CD1 . 25490 1 51 . 1 1 5 5 LEU CD2 C 13 25.112 0.2 . 2 . . . A 5 LEU CD2 . 25490 1 52 . 1 1 5 5 LEU N N 15 118.46 0.3 . 1 . . . A 5 LEU N . 25490 1 53 . 1 1 6 6 ALA H H 1 7.9450 0.05 . 1 . . . A 6 ALA H . 25490 1 54 . 1 1 6 6 ALA HA H 1 4.1250 0.05 . 1 . . . A 6 ALA HA . 25490 1 55 . 1 1 6 6 ALA HB1 H 1 1.4980 0.05 . 1 . . . A 6 ALA HB1 . 25490 1 56 . 1 1 6 6 ALA HB2 H 1 1.4980 0.05 . 1 . . . A 6 ALA HB2 . 25490 1 57 . 1 1 6 6 ALA HB3 H 1 1.4980 0.05 . 1 . . . A 6 ALA HB3 . 25490 1 58 . 1 1 6 6 ALA C C 13 181.54 0.2 . 1 . . . A 6 ALA C . 25490 1 59 . 1 1 6 6 ALA CA C 13 55.162 0.2 . 1 . . . A 6 ALA CA . 25490 1 60 . 1 1 6 6 ALA CB C 13 17.902 0.2 . 1 . . . A 6 ALA CB . 25490 1 61 . 1 1 6 6 ALA N N 15 123.95 0.3 . 1 . . . A 6 ALA N . 25490 1 62 . 1 1 7 7 CGU C C 13 181.59 0.2 . 1 . . . A 7 CGU C . 25490 1 63 . 1 1 7 7 CGU CA C 13 57.552 0.2 . 1 . . . A 7 CGU CA . 25490 1 64 . 1 1 7 7 CGU CB C 13 32.639 0.2 . 1 . . . A 7 CGU CB . 25490 1 65 . 1 1 7 7 CGU CG C 13 54.150 0.2 . 1 . . . A 7 CGU CG . 25490 1 66 . 1 1 7 7 CGU H H 1 8.1630 0.05 . 1 . . . A 7 CGU H . 25490 1 67 . 1 1 7 7 CGU HA H 1 4.1500 0.05 . 1 . . . A 7 CGU HA . 25490 1 68 . 1 1 7 7 CGU HB2 H 1 2.3330 0.05 . 2 . . . A 7 CGU HB2 . 25490 1 69 . 1 1 7 7 CGU HB3 H 1 2.3020 0.05 . 2 . . . A 7 CGU HB3 . 25490 1 70 . 1 1 7 7 CGU HG H 1 3.7570 0.05 . 1 . . . A 7 CGU HG . 25490 1 71 . 1 1 7 7 CGU N N 15 117.56 0.3 . 1 . . . A 7 CGU N . 25490 1 72 . 1 1 8 8 LYS H H 1 7.3690 0.05 . 1 . . . A 8 LYS H . 25490 1 73 . 1 1 8 8 LYS HA H 1 4.3570 0.05 . 1 . . . A 8 LYS HA . 25490 1 74 . 1 1 8 8 LYS HB2 H 1 1.6310 0.05 . 2 . . . A 8 LYS HB2 . 25490 1 75 . 1 1 8 8 LYS HB3 H 1 1.5940 0.05 . 2 . . . A 8 LYS HB3 . 25490 1 76 . 1 1 8 8 LYS HG2 H 1 1.5400 0.05 . 2 . . . A 8 LYS HG2 . 25490 1 77 . 1 1 8 8 LYS HG3 H 1 1.4400 0.05 . 2 . . . A 8 LYS HG3 . 25490 1 78 . 1 1 8 8 LYS HD2 H 1 1.6880 0.05 . 2 . . . A 8 LYS HD2 . 25490 1 79 . 1 1 8 8 LYS HD3 H 1 1.6010 0.05 . 2 . . . A 8 LYS HD3 . 25490 1 80 . 1 1 8 8 LYS HE2 H 1 2.8960 0.05 . 2 . . . A 8 LYS HE2 . 25490 1 81 . 1 1 8 8 LYS HE3 H 1 2.8960 0.05 . 2 . . . A 8 LYS HE3 . 25490 1 82 . 1 1 8 8 LYS CA C 13 56.030 0.2 . 1 . . . A 8 LYS CA . 25490 1 83 . 1 1 8 8 LYS CB C 13 28.922 0.2 . 1 . . . A 8 LYS CB . 25490 1 84 . 1 1 8 8 LYS CG C 13 25.242 0.2 . 1 . . . A 8 LYS CG . 25490 1 85 . 1 1 8 8 LYS CD C 13 33.372 0.2 . 1 . . . A 8 LYS CD . 25490 1 86 . 1 1 8 8 LYS CE C 13 42.156 0.2 . 1 . . . A 8 LYS CE . 25490 1 87 . 1 1 8 8 LYS N N 15 116.82 0.3 . 1 . . . A 8 LYS N . 25490 1 88 . 1 1 9 9 ALA H H 1 7.6170 0.05 . 1 . . . A 9 ALA H . 25490 1 89 . 1 1 9 9 ALA HA H 1 4.4240 0.05 . 1 . . . A 9 ALA HA . 25490 1 90 . 1 1 9 9 ALA HB1 H 1 1.6100 0.05 . 1 . . . A 9 ALA HB1 . 25490 1 91 . 1 1 9 9 ALA HB2 H 1 1.6100 0.05 . 1 . . . A 9 ALA HB2 . 25490 1 92 . 1 1 9 9 ALA HB3 H 1 1.6100 0.05 . 1 . . . A 9 ALA HB3 . 25490 1 93 . 1 1 9 9 ALA C C 13 177.42 0.2 . 1 . . . A 9 ALA C . 25490 1 94 . 1 1 9 9 ALA CA C 13 55.981 0.2 . 1 . . . A 9 ALA CA . 25490 1 95 . 1 1 9 9 ALA CB C 13 16.593 0.2 . 1 . . . A 9 ALA CB . 25490 1 96 . 1 1 9 9 ALA N N 15 122.64 0.3 . 1 . . . A 9 ALA N . 25490 1 97 . 1 1 10 10 HYP CA C 13 64.381 0.2 . 1 . . . A 10 HYP CA . 25490 1 98 . 1 1 10 10 HYP CB C 13 38.658 0.2 . 1 . . . A 10 HYP CB . 25490 1 99 . 1 1 10 10 HYP CD C 13 58.292 0.2 . 1 . . . A 10 HYP CD . 25490 1 100 . 1 1 10 10 HYP HA H 1 4.5680 0.05 . 1 . . . A 10 HYP HA . 25490 1 101 . 1 1 10 10 HYP HB2 H 1 2.3900 0.05 . 2 . . . A 10 HYP HB2 . 25490 1 102 . 1 1 10 10 HYP HB3 H 1 2.1390 0.05 . 2 . . . A 10 HYP HB3 . 25490 1 103 . 1 1 10 10 HYP HD22 H 1 3.7850 0.05 . 2 . . . A 10 HYP HD22 . 25490 1 104 . 1 1 10 10 HYP HD23 H 1 3.8510 0.05 . 2 . . . A 10 HYP HD23 . 25490 1 105 . 1 1 10 10 HYP HG H 1 4.7010 0.05 . 1 . . . A 10 HYP HG . 25490 1 106 . 1 1 11 11 CGU C C 13 179.90 0.2 . 1 . . . A 11 CGU C . 25490 1 107 . 1 1 11 11 CGU CA C 13 57.350 0.2 . 1 . . . A 11 CGU CA . 25490 1 108 . 1 1 11 11 CGU CB C 13 30.112 0.2 . 1 . . . A 11 CGU CB . 25490 1 109 . 1 1 11 11 CGU CG C 13 53.836 0.2 . 1 . . . A 11 CGU CG . 25490 1 110 . 1 1 11 11 CGU H H 1 7.9610 0.05 . 1 . . . A 11 CGU H . 25490 1 111 . 1 1 11 11 CGU HA H 1 4.5910 0.05 . 1 . . . A 11 CGU HA . 25490 1 112 . 1 1 11 11 CGU HB2 H 1 2.1710 0.05 . 2 . . . A 11 CGU HB2 . 25490 1 113 . 1 1 11 11 CGU HB3 H 1 2.0100 0.05 . 2 . . . A 11 CGU HB3 . 25490 1 114 . 1 1 11 11 CGU HG H 1 3.6350 0.05 . 1 . . . A 11 CGU HG . 25490 1 115 . 1 1 11 11 CGU N N 15 120.25 0.3 . 1 . . . A 11 CGU N . 25490 1 116 . 1 1 12 12 PHE H H 1 8.3220 0.05 . 1 . . . A 12 PHE H . 25490 1 117 . 1 1 12 12 PHE HA H 1 4.5030 0.05 . 1 . . . A 12 PHE HA . 25490 1 118 . 1 1 12 12 PHE HB2 H 1 3.2260 0.05 . 2 . . . A 12 PHE HB2 . 25490 1 119 . 1 1 12 12 PHE HB3 H 1 3.1870 0.05 . 2 . . . A 12 PHE HB3 . 25490 1 120 . 1 1 12 12 PHE HD1 H 1 7.3210 0.05 . 3 . . . A 12 PHE HD1 . 25490 1 121 . 1 1 12 12 PHE HE1 H 1 7.3840 0.05 . 3 . . . A 12 PHE HE1 . 25490 1 122 . 1 1 12 12 PHE HZ H 1 7.2990 0.05 . 1 . . . A 12 PHE HZ . 25490 1 123 . 1 1 12 12 PHE C C 13 179.70 0.2 . 1 . . . A 12 PHE C . 25490 1 124 . 1 1 12 12 PHE CA C 13 59.370 0.2 . 1 . . . A 12 PHE CA . 25490 1 125 . 1 1 12 12 PHE CB C 13 38.122 0.2 . 1 . . . A 12 PHE CB . 25490 1 126 . 1 1 12 12 PHE CD1 C 13 124.41 0.2 . 1 . . . A 12 PHE CD1 . 25490 1 127 . 1 1 12 12 PHE CD2 C 13 124.41 0.2 . 1 . . . A 12 PHE CD2 . 25490 1 128 . 1 1 12 12 PHE CE1 C 13 131.58 0.2 . 1 . . . A 12 PHE CE1 . 25490 1 129 . 1 1 12 12 PHE CE2 C 13 131.58 0.2 . 1 . . . A 12 PHE CE2 . 25490 1 130 . 1 1 12 12 PHE CZ C 13 129.84 0.2 . 1 . . . A 12 PHE CZ . 25490 1 131 . 1 1 12 12 PHE N N 15 121.60 0.3 . 1 . . . A 12 PHE N . 25490 1 132 . 1 1 13 13 ALA H H 1 7.8930 0.05 . 1 . . . A 13 ALA H . 25490 1 133 . 1 1 13 13 ALA HA H 1 4.0780 0.05 . 1 . . . A 13 ALA HA . 25490 1 134 . 1 1 13 13 ALA HB1 H 1 1.5050 0.05 . 1 . . . A 13 ALA HB1 . 25490 1 135 . 1 1 13 13 ALA HB2 H 1 1.5050 0.05 . 1 . . . A 13 ALA HB2 . 25490 1 136 . 1 1 13 13 ALA HB3 H 1 1.5050 0.05 . 1 . . . A 13 ALA HB3 . 25490 1 137 . 1 1 13 13 ALA C C 13 180.61 0.2 . 1 . . . A 13 ALA C . 25490 1 138 . 1 1 13 13 ALA CA C 13 54.872 0.2 . 1 . . . A 13 ALA CA . 25490 1 139 . 1 1 13 13 ALA CB C 13 17.882 0.2 . 1 . . . A 13 ALA CB . 25490 1 140 . 1 1 13 13 ALA N N 15 119.95 0.3 . 1 . . . A 13 ALA N . 25490 1 141 . 1 1 14 14 ARG H H 1 7.8670 0.05 . 1 . . . A 14 ARG H . 25490 1 142 . 1 1 14 14 ARG HA H 1 3.9390 0.05 . 1 . . . A 14 ARG HA . 25490 1 143 . 1 1 14 14 ARG HB2 H 1 1.9600 0.05 . 2 . . . A 14 ARG HB2 . 25490 1 144 . 1 1 14 14 ARG HB3 H 1 1.9220 0.05 . 2 . . . A 14 ARG HB3 . 25490 1 145 . 1 1 14 14 ARG HG2 H 1 1.6930 0.05 . 2 . . . A 14 ARG HG2 . 25490 1 146 . 1 1 14 14 ARG HG3 H 1 1.4570 0.05 . 2 . . . A 14 ARG HG3 . 25490 1 147 . 1 1 14 14 ARG HD2 H 1 3.0030 0.05 . 2 . . . A 14 ARG HD2 . 25490 1 148 . 1 1 14 14 ARG HD3 H 1 3.0030 0.05 . 2 . . . A 14 ARG HD3 . 25490 1 149 . 1 1 14 14 ARG C C 13 179.75 0.2 . 1 . . . A 14 ARG C . 25490 1 150 . 1 1 14 14 ARG CA C 13 59.520 0.2 . 1 . . . A 14 ARG CA . 25490 1 151 . 1 1 14 14 ARG CB C 13 30.362 0.2 . 1 . . . A 14 ARG CB . 25490 1 152 . 1 1 14 14 ARG CG C 13 27.244 0.2 . 1 . . . A 14 ARG CG . 25490 1 153 . 1 1 14 14 ARG CD C 13 42.572 0.2 . 1 . . . A 14 ARG CD . 25490 1 154 . 1 1 14 14 ARG N N 15 122.07 0.3 . 1 . . . A 14 ARG N . 25490 1 155 . 1 1 15 15 CGU C C 13 179.44 0.2 . 1 . . . A 15 CGU C . 25490 1 156 . 1 1 15 15 CGU CA C 13 58.272 0.2 . 1 . . . A 15 CGU CA . 25490 1 157 . 1 1 15 15 CGU CB C 13 32.099 0.2 . 1 . . . A 15 CGU CB . 25490 1 158 . 1 1 15 15 CGU CG C 13 53.642 0.2 . 1 . . . A 15 CGU CG . 25490 1 159 . 1 1 15 15 CGU H H 1 8.4450 0.05 . 1 . . . A 15 CGU H . 25490 1 160 . 1 1 15 15 CGU HA H 1 4.0140 0.05 . 1 . . . A 15 CGU HA . 25490 1 161 . 1 1 15 15 CGU HB2 H 1 2.4910 0.05 . 2 . . . A 15 CGU HB2 . 25490 1 162 . 1 1 15 15 CGU HB3 H 1 2.2100 0.05 . 2 . . . A 15 CGU HB3 . 25490 1 163 . 1 1 15 15 CGU HG H 1 3.7260 0.05 . 1 . . . A 15 CGU HG . 25490 1 164 . 1 1 15 15 CGU N N 15 118.71 0.3 . 1 . . . A 15 CGU N . 25490 1 165 . 1 1 16 16 LEU H H 1 7.8740 0.05 . 1 . . . A 16 LEU H . 25490 1 166 . 1 1 16 16 LEU HA H 1 4.0940 0.05 . 1 . . . A 16 LEU HA . 25490 1 167 . 1 1 16 16 LEU HB2 H 1 1.5820 0.05 . 2 . . . A 16 LEU HB2 . 25490 1 168 . 1 1 16 16 LEU HB3 H 1 1.5820 0.05 . 2 . . . A 16 LEU HB3 . 25490 1 169 . 1 1 16 16 LEU HG H 1 1.6410 0.05 . 1 . . . A 16 LEU HG . 25490 1 170 . 1 1 16 16 LEU HD11 H 1 0.84400 0.05 . 2 . . . A 16 LEU HD11 . 25490 1 171 . 1 1 16 16 LEU HD12 H 1 0.84400 0.05 . 2 . . . A 16 LEU HD12 . 25490 1 172 . 1 1 16 16 LEU HD13 H 1 0.84400 0.05 . 2 . . . A 16 LEU HD13 . 25490 1 173 . 1 1 16 16 LEU HD21 H 1 0.73900 0.05 . 2 . . . A 16 LEU HD21 . 25490 1 174 . 1 1 16 16 LEU HD22 H 1 0.73900 0.05 . 2 . . . A 16 LEU HD22 . 25490 1 175 . 1 1 16 16 LEU HD23 H 1 0.73900 0.05 . 2 . . . A 16 LEU HD23 . 25490 1 176 . 1 1 16 16 LEU C C 13 180.71 0.2 . 1 . . . A 16 LEU C . 25490 1 177 . 1 1 16 16 LEU CA C 13 57.327 0.2 . 1 . . . A 16 LEU CA . 25490 1 178 . 1 1 16 16 LEU CB C 13 42.052 0.2 . 1 . . . A 16 LEU CB . 25490 1 179 . 1 1 16 16 LEU CG C 13 26.792 0.2 . 1 . . . A 16 LEU CG . 25490 1 180 . 1 1 16 16 LEU CD1 C 13 23.652 0.2 . 1 . . . A 16 LEU CD1 . 25490 1 181 . 1 1 16 16 LEU CD2 C 13 24.682 0.2 . 1 . . . A 16 LEU CD2 . 25490 1 182 . 1 1 16 16 LEU N N 15 119.60 0.3 . 1 . . . A 16 LEU N . 25490 1 183 . 1 1 17 17 ALA H H 1 7.7270 0.05 . 1 . . . A 17 ALA H . 25490 1 184 . 1 1 17 17 ALA HA H 1 4.1970 0.05 . 1 . . . A 17 ALA HA . 25490 1 185 . 1 1 17 17 ALA HB1 H 1 1.4690 0.05 . 1 . . . A 17 ALA HB1 . 25490 1 186 . 1 1 17 17 ALA HB2 H 1 1.4690 0.05 . 1 . . . A 17 ALA HB2 . 25490 1 187 . 1 1 17 17 ALA HB3 H 1 1.4690 0.05 . 1 . . . A 17 ALA HB3 . 25490 1 188 . 1 1 17 17 ALA C C 13 178.61 0.2 . 1 . . . A 17 ALA C . 25490 1 189 . 1 1 17 17 ALA CA C 13 53.742 0.2 . 1 . . . A 17 ALA CA . 25490 1 190 . 1 1 17 17 ALA CB C 13 18.506 0.2 . 1 . . . A 17 ALA CB . 25490 1 191 . 1 1 17 17 ALA N N 15 120.70 0.3 . 1 . . . A 17 ALA N . 25490 1 192 . 1 1 18 18 ASN H H 1 7.7970 0.05 . 1 . . . A 18 ASN H . 25490 1 193 . 1 1 18 18 ASN HA H 1 4.6600 0.05 . 1 . . . A 18 ASN HA . 25490 1 194 . 1 1 18 18 ASN HB2 H 1 2.8920 0.05 . 2 . . . A 18 ASN HB2 . 25490 1 195 . 1 1 18 18 ASN HB3 H 1 2.7460 0.05 . 2 . . . A 18 ASN HB3 . 25490 1 196 . 1 1 18 18 ASN HD21 H 1 7.7130 0.05 . 2 . . . A 18 ASN HD21 . 25490 1 197 . 1 1 18 18 ASN HD22 H 1 6.8950 0.05 . 2 . . . A 18 ASN HD22 . 25490 1 198 . 1 1 18 18 ASN C C 13 177.60 0.2 . 1 . . . A 18 ASN C . 25490 1 199 . 1 1 18 18 ASN CA C 13 53.395 0.2 . 1 . . . A 18 ASN CA . 25490 1 200 . 1 1 18 18 ASN CB C 13 39.572 0.2 . 1 . . . A 18 ASN CB . 25490 1 201 . 1 1 18 18 ASN N N 15 116.93 0.3 . 1 . . . A 18 ASN N . 25490 1 202 . 1 1 18 18 ASN ND2 N 15 113.38 0.3 . 1 . . . A 18 ASN ND2 . 25490 1 203 . 1 1 19 19 NH2 HN1 H 1 7.2540 0.05 . 2 . . . A 19 NH2 HN1 . 25490 1 204 . 1 1 19 19 NH2 HN2 H 1 7.2200 0.05 . 2 . . . A 19 NH2 HN2 . 25490 1 205 . 1 1 19 19 NH2 N N 15 106.54 0.3 . 1 . . . A 19 NH2 N . 25490 1 stop_ save_