################################### # 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 25465 _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 5 '2D 1H-1H NOESY' . . . 25465 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $X-PLOR_NIH . . 25465 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 3.9720 0.05 . 2 . . . A 1 GLY HA2 . 25465 1 2 . 1 1 1 1 GLY HA3 H 1 4.0370 0.05 . 2 . . . A 1 GLY HA3 . 25465 1 3 . 1 1 1 1 GLY CA C 13 43.372 0.20 . 1 . . . A 1 GLY CA . 25465 1 4 . 1 1 2 2 GLU HA H 1 4.0230 0.05 . 1 . . . A 2 GLU HA . 25465 1 5 . 1 1 2 2 GLU HB2 H 1 2.1040 0.05 . 2 . . . A 2 GLU HB2 . 25465 1 6 . 1 1 2 2 GLU HG2 H 1 2.3850 0.05 . 1 . . . A 2 GLU HG2 . 25465 1 7 . 1 1 2 2 GLU HG3 H 1 2.3850 0.05 . 1 . . . A 2 GLU HG3 . 25465 1 8 . 1 1 2 2 GLU C C 13 179.31 0.20 . 1 . . . A 2 GLU C . 25465 1 9 . 1 1 2 2 GLU CA C 13 60.110 0.20 . 1 . . . A 2 GLU CA . 25465 1 10 . 1 1 2 2 GLU CB C 13 29.570 0.20 . 1 . . . A 2 GLU CB . 25465 1 11 . 1 1 2 2 GLU CG C 13 36.510 0.20 . 1 . . . A 2 GLU CG . 25465 1 12 . 1 1 3 3 CGU C C 13 179.30 0.20 . 1 . . . A 3 CGU C . 25465 1 13 . 1 1 3 3 CGU CA C 13 57.355 0.20 . 1 . . . A 3 CGU CA . 25465 1 14 . 1 1 3 3 CGU CB C 13 30.160 0.20 . 1 . . . A 3 CGU CB . 25465 1 15 . 1 1 3 3 CGU CG C 13 54.154 0.20 . 1 . . . A 3 CGU CG . 25465 1 16 . 1 1 3 3 CGU H H 1 9.1420 0.05 . 1 . . . A 3 CGU H . 25465 1 17 . 1 1 3 3 CGU HA H 1 4.4640 0.05 . 1 . . . A 3 CGU HA . 25465 1 18 . 1 1 3 3 CGU HB2 H 1 2.1940 0.05 . 2 . . . A 3 CGU HB2 . 25465 1 19 . 1 1 3 3 CGU HB3 H 1 1.8880 0.05 . 2 . . . A 3 CGU HB3 . 25465 1 20 . 1 1 3 3 CGU HG H 1 3.5270 0.05 . 1 . . . A 3 CGU HG . 25465 1 21 . 1 1 3 3 CGU N N 15 121.02 0.30 . 1 . . . A 3 CGU N . 25465 1 22 . 1 1 4 4 CGU C C 13 178.71 0.20 . 1 . . . A 4 CGU C . 25465 1 23 . 1 1 4 4 CGU CA C 13 59.560 0.20 . 1 . . . A 4 CGU CA . 25465 1 24 . 1 1 4 4 CGU CB C 13 32.810 0.20 . 1 . . . A 4 CGU CB . 25465 1 25 . 1 1 4 4 CGU CG C 13 59.850 0.20 . 1 . . . A 4 CGU CG . 25465 1 26 . 1 1 4 4 CGU H H 1 7.8880 0.05 . 1 . . . A 4 CGU H . 25465 1 27 . 1 1 4 4 CGU HA H 1 3.9640 0.05 . 1 . . . A 4 CGU HA . 25465 1 28 . 1 1 4 4 CGU HB2 H 1 2.4500 0.05 . 2 . . . A 4 CGU HB2 . 25465 1 29 . 1 1 4 4 CGU HB3 H 1 2.0730 0.05 . 2 . . . A 4 CGU HB3 . 25465 1 30 . 1 1 4 4 CGU HG H 1 3.2390 0.05 . 1 . . . A 4 CGU HG . 25465 1 31 . 1 1 4 4 CGU N N 15 120.34 0.30 . 1 . . . A 4 CGU N . 25465 1 32 . 1 1 5 5 LEU H H 1 7.6430 0.05 . 1 . . . A 5 LEU H . 25465 1 33 . 1 1 5 5 LEU HA H 1 4.1330 0.05 . 1 . . . A 5 LEU HA . 25465 1 34 . 1 1 5 5 LEU HB2 H 1 1.8260 0.05 . 2 . . . A 5 LEU HB2 . 25465 1 35 . 1 1 5 5 LEU HB3 H 1 1.6550 0.05 . 2 . . . A 5 LEU HB3 . 25465 1 36 . 1 1 5 5 LEU HG H 1 1.7400 0.05 . 1 . . . A 5 LEU HG . 25465 1 37 . 1 1 5 5 LEU HD11 H 1 0.92900 0.05 . 2 . . . A 5 LEU HD11 . 25465 1 38 . 1 1 5 5 LEU HD12 H 1 0.92900 0.05 . 2 . . . A 5 LEU HD12 . 25465 1 39 . 1 1 5 5 LEU HD13 H 1 0.92900 0.05 . 2 . . . A 5 LEU HD13 . 25465 1 40 . 1 1 5 5 LEU HD21 H 1 0.89700 0.05 . 2 . . . A 5 LEU HD21 . 25465 1 41 . 1 1 5 5 LEU HD22 H 1 0.89700 0.05 . 2 . . . A 5 LEU HD22 . 25465 1 42 . 1 1 5 5 LEU HD23 H 1 0.89700 0.05 . 2 . . . A 5 LEU HD23 . 25465 1 43 . 1 1 5 5 LEU CA C 13 58.095 0.20 . 1 . . . A 5 LEU CA . 25465 1 44 . 1 1 5 5 LEU CB C 13 41.406 0.20 . 1 . . . A 5 LEU CB . 25465 1 45 . 1 1 5 5 LEU CG C 13 26.851 0.20 . 1 . . . A 5 LEU CG . 25465 1 46 . 1 1 5 5 LEU CD1 C 13 23.652 0.20 . 2 . . . A 5 LEU CD1 . 25465 1 47 . 1 1 5 5 LEU CD2 C 13 24.873 0.20 . 2 . . . A 5 LEU CD2 . 25465 1 48 . 1 1 5 5 LEU N N 15 119.14 0.30 . 1 . . . A 5 LEU N . 25465 1 49 . 1 1 6 6 ALA H H 1 7.9030 0.05 . 1 . . . A 6 ALA H . 25465 1 50 . 1 1 6 6 ALA HA H 1 4.1300 0.05 . 1 . . . A 6 ALA HA . 25465 1 51 . 1 1 6 6 ALA HB1 H 1 1.5220 0.05 . 1 . . . A 6 ALA HB1 . 25465 1 52 . 1 1 6 6 ALA HB2 H 1 1.5220 0.05 . 1 . . . A 6 ALA HB2 . 25465 1 53 . 1 1 6 6 ALA HB3 H 1 1.5220 0.05 . 1 . . . A 6 ALA HB3 . 25465 1 54 . 1 1 6 6 ALA C C 13 181.96 0.20 . 1 . . . A 6 ALA C . 25465 1 55 . 1 1 6 6 ALA CA C 13 55.467 0.20 . 1 . . . A 6 ALA CA . 25465 1 56 . 1 1 6 6 ALA CB C 13 17.932 0.20 . 1 . . . A 6 ALA CB . 25465 1 57 . 1 1 6 6 ALA N N 15 123.31 0.30 . 1 . . . A 6 ALA N . 25465 1 58 . 1 1 7 7 CGU C C 13 181.98 0.20 . 1 . . . A 7 CGU C . 25465 1 59 . 1 1 7 7 CGU CA C 13 57.990 0.20 . 1 . . . A 7 CGU CA . 25465 1 60 . 1 1 7 7 CGU CB C 13 32.080 0.20 . 1 . . . A 7 CGU CB . 25465 1 61 . 1 1 7 7 CGU CG C 13 53.234 0.20 . 1 . . . A 7 CGU CG . 25465 1 62 . 1 1 7 7 CGU H H 1 8.5070 0.05 . 1 . . . A 7 CGU H . 25465 1 63 . 1 1 7 7 CGU HA H 1 4.2540 0.05 . 1 . . . A 7 CGU HA . 25465 1 64 . 1 1 7 7 CGU HB2 H 1 2.4080 0.05 . 2 . . . A 7 CGU HB2 . 25465 1 65 . 1 1 7 7 CGU HB3 H 1 2.2390 0.05 . 1 . . . A 7 CGU HB3 . 25465 1 66 . 1 1 7 7 CGU HG H 1 3.7920 0.05 . 1 . . . A 7 CGU HG . 25465 1 67 . 1 1 7 7 CGU N N 15 119.73 0.30 . 1 . . . A 7 CGU N . 25465 1 68 . 1 1 8 8 ASN H H 1 8.2520 0.05 . 1 . . . A 8 ASN H . 25465 1 69 . 1 1 8 8 ASN HA H 1 4.6510 0.05 . 1 . . . A 8 ASN HA . 25465 1 70 . 1 1 8 8 ASN HB2 H 1 3.0140 0.05 . 2 . . . A 8 ASN HB2 . 25465 1 71 . 1 1 8 8 ASN HB3 H 1 2.9310 0.05 . 2 . . . A 8 ASN HB3 . 25465 1 72 . 1 1 8 8 ASN HD21 H 1 7.5730 0.05 . 2 . . . A 8 ASN HD21 . 25465 1 73 . 1 1 8 8 ASN HD22 H 1 7.0090 0.05 . 2 . . . A 8 ASN HD22 . 25465 1 74 . 1 1 8 8 ASN C C 13 180.12 0.20 . 1 . . . A 8 ASN C . 25465 1 75 . 1 1 8 8 ASN CA C 13 57.990 0.20 . 1 . . . A 8 ASN CA . 25465 1 76 . 1 1 8 8 ASN CB C 13 38.490 0.20 . 1 . . . A 8 ASN CB . 25465 1 77 . 1 1 8 8 ASN N N 15 119.48 0.30 . 1 . . . A 8 ASN N . 25465 1 78 . 1 1 8 8 ASN ND2 N 15 111.96 0.30 . 1 . . . A 8 ASN ND2 . 25465 1 79 . 1 1 9 9 GLN H H 1 8.5960 0.05 . 1 . . . A 9 GLN H . 25465 1 80 . 1 1 9 9 GLN HA H 1 4.1870 0.05 . 1 . . . A 9 GLN HA . 25465 1 81 . 1 1 9 9 GLN HB2 H 1 2.2950 0.05 . 2 . . . A 9 GLN HB2 . 25465 1 82 . 1 1 9 9 GLN HB3 H 1 2.1540 0.05 . 2 . . . A 9 GLN HB3 . 25465 1 83 . 1 1 9 9 GLN HG2 H 1 2.5870 0.05 . 2 . . . A 9 GLN HG2 . 25465 1 84 . 1 1 9 9 GLN HG3 H 1 2.4580 0.05 . 2 . . . A 9 GLN HG3 . 25465 1 85 . 1 1 9 9 GLN HE21 H 1 7.4490 0.05 . 2 . . . A 9 GLN HE21 . 25465 1 86 . 1 1 9 9 GLN HE22 H 1 6.8580 0.05 . 2 . . . A 9 GLN HE22 . 25465 1 87 . 1 1 9 9 GLN C C 13 178.44 0.20 . 1 . . . A 9 GLN C . 25465 1 88 . 1 1 9 9 GLN CA C 13 58.801 0.20 . 1 . . . A 9 GLN CA . 25465 1 89 . 1 1 9 9 GLN CB C 13 28.469 0.20 . 1 . . . A 9 GLN CB . 25465 1 90 . 1 1 9 9 GLN CG C 13 34.294 0.20 . 1 . . . A 9 GLN CG . 25465 1 91 . 1 1 9 9 GLN N N 15 121.31 0.30 . 1 . . . A 9 GLN N . 25465 1 92 . 1 1 9 9 GLN NE2 N 15 111.37 0.30 . 1 . . . A 9 GLN NE2 . 25465 1 93 . 1 1 10 10 CGU C C 13 178.93 0.20 . 1 . . . A 10 CGU C . 25465 1 94 . 1 1 10 10 CGU CA C 13 57.465 0.20 . 1 . . . A 10 CGU CA . 25465 1 95 . 1 1 10 10 CGU CB C 13 29.710 0.20 . 1 . . . A 10 CGU CB . 25465 1 96 . 1 1 10 10 CGU CG C 13 53.790 0.20 . 1 . . . A 10 CGU CG . 25465 1 97 . 1 1 10 10 CGU H H 1 8.1660 0.05 . 1 . . . A 10 CGU H . 25465 1 98 . 1 1 10 10 CGU HA H 1 4.6470 0.05 . 1 . . . A 10 CGU HA . 25465 1 99 . 1 1 10 10 CGU HB2 H 1 2.2160 0.05 . 2 . . . A 10 CGU HB2 . 25465 1 100 . 1 1 10 10 CGU HB3 H 1 2.1510 0.05 . 2 . . . A 10 CGU HB3 . 25465 1 101 . 1 1 10 10 CGU HG H 1 3.7010 0.05 . 1 . . . A 10 CGU HG . 25465 1 102 . 1 1 10 10 CGU N N 15 121.34 0.30 . 1 . . . A 10 CGU N . 25465 1 103 . 1 1 11 11 PHE H H 1 8.2710 0.05 . 1 . . . A 11 PHE H . 25465 1 104 . 1 1 11 11 PHE HA H 1 4.3770 0.05 . 1 . . . A 11 PHE HA . 25465 1 105 . 1 1 11 11 PHE HB2 H 1 3.3090 0.05 . 2 . . . A 11 PHE HB2 . 25465 1 106 . 1 1 11 11 PHE HB3 H 1 3.2230 0.05 . 2 . . . A 11 PHE HB3 . 25465 1 107 . 1 1 11 11 PHE HD1 H 1 7.3710 0.05 . 3 . . . A 11 PHE HD1 . 25465 1 108 . 1 1 11 11 PHE HE1 H 1 7.3710 0.05 . 3 . . . A 11 PHE HE1 . 25465 1 109 . 1 1 11 11 PHE HZ H 1 7.3150 0.05 . 1 . . . A 11 PHE HZ . 25465 1 110 . 1 1 11 11 PHE C C 13 178.16 0.20 . 1 . . . A 11 PHE C . 25465 1 111 . 1 1 11 11 PHE CA C 13 60.441 0.20 . 1 . . . A 11 PHE CA . 25465 1 112 . 1 1 11 11 PHE CB C 13 38.728 0.20 . 1 . . . A 11 PHE CB . 25465 1 113 . 1 1 11 11 PHE CD1 C 13 131.42 0.20 . 1 . . . A 11 PHE CD1 . 25465 1 114 . 1 1 11 11 PHE CD2 C 13 131.42 0.20 . 1 . . . A 11 PHE CD2 . 25465 1 115 . 1 1 11 11 PHE CE1 C 13 129.77 0.20 . 1 . . . A 11 PHE CE1 . 25465 1 116 . 1 1 11 11 PHE CE2 C 13 129.77 0.20 . 1 . . . A 11 PHE CE2 . 25465 1 117 . 1 1 11 11 PHE CZ C 13 131.59 0.20 . 1 . . . A 11 PHE CZ . 25465 1 118 . 1 1 11 11 PHE N N 15 122.48 0.30 . 1 . . . A 11 PHE N . 25465 1 119 . 1 1 12 12 ALA H H 1 7.8130 0.05 . 1 . . . A 12 ALA H . 25465 1 120 . 1 1 12 12 ALA HA H 1 3.9420 0.05 . 1 . . . A 12 ALA HA . 25465 1 121 . 1 1 12 12 ALA HB1 H 1 1.5150 0.05 . 1 . . . A 12 ALA HB1 . 25465 1 122 . 1 1 12 12 ALA HB2 H 1 1.5150 0.05 . 1 . . . A 12 ALA HB2 . 25465 1 123 . 1 1 12 12 ALA HB3 H 1 1.5150 0.05 . 1 . . . A 12 ALA HB3 . 25465 1 124 . 1 1 12 12 ALA C C 13 182.62 0.20 . 1 . . . A 12 ALA C . 25465 1 125 . 1 1 12 12 ALA CA C 13 55.031 0.20 . 1 . . . A 12 ALA CA . 25465 1 126 . 1 1 12 12 ALA CB C 13 17.832 0.20 . 1 . . . A 12 ALA CB . 25465 1 127 . 1 1 12 12 ALA N N 15 119.20 0.30 . 1 . . . A 12 ALA N . 25465 1 128 . 1 1 13 13 ARG H H 1 7.9450 0.05 . 1 . . . A 13 ARG H . 25465 1 129 . 1 1 13 13 ARG HA H 1 3.9150 0.05 . 1 . . . A 13 ARG HA . 25465 1 130 . 1 1 13 13 ARG HB2 H 1 1.9520 0.05 . 2 . . . A 13 ARG HB2 . 25465 1 131 . 1 1 13 13 ARG HB3 H 1 1.9520 0.05 . 2 . . . A 13 ARG HB3 . 25465 1 132 . 1 1 13 13 ARG HG2 H 1 1.6910 0.05 . 2 . . . A 13 ARG HG2 . 25465 1 133 . 1 1 13 13 ARG HG3 H 1 1.6910 0.05 . 2 . . . A 13 ARG HG3 . 25465 1 134 . 1 1 13 13 ARG HD2 H 1 3.3990 0.05 . 2 . . . A 13 ARG HD2 . 25465 1 135 . 1 1 13 13 ARG HD3 H 1 2.9870 0.05 . 2 . . . A 13 ARG HD3 . 25465 1 136 . 1 1 13 13 ARG C C 13 179.65 0.20 . 1 . . . A 13 ARG C . 25465 1 137 . 1 1 13 13 ARG CA C 13 59.692 0.20 . 1 . . . A 13 ARG CA . 25465 1 138 . 1 1 13 13 ARG CB C 13 30.320 0.20 . 1 . . . A 13 ARG CB . 25465 1 139 . 1 1 13 13 ARG CG C 13 27.390 0.20 . 1 . . . A 13 ARG CG . 25465 1 140 . 1 1 13 13 ARG CD C 13 42.320 0.20 . 1 . . . A 13 ARG CD . 25465 1 141 . 1 1 13 13 ARG N N 15 121.63 0.30 . 1 . . . A 13 ARG N . 25465 1 142 . 1 1 14 14 CGU CA C 13 58.331 0.20 . 1 . . . A 14 CGU CA . 25465 1 143 . 1 1 14 14 CGU CB C 13 31.880 0.20 . 1 . . . A 14 CGU CB . 25465 1 144 . 1 1 14 14 CGU CG C 13 53.561 0.20 . 1 . . . A 14 CGU CG . 25465 1 145 . 1 1 14 14 CGU H H 1 8.3870 0.05 . 1 . . . A 14 CGU H . 25465 1 146 . 1 1 14 14 CGU HA H 1 3.9810 0.05 . 1 . . . A 14 CGU HA . 25465 1 147 . 1 1 14 14 CGU HB2 H 1 2.4960 0.05 . 2 . . . A 14 CGU HB2 . 25465 1 148 . 1 1 14 14 CGU HB3 H 1 2.1380 0.05 . 2 . . . A 14 CGU HB3 . 25465 1 149 . 1 1 14 14 CGU HG H 1 3.7280 0.05 . 1 . . . A 14 CGU HG . 25465 1 150 . 1 1 14 14 CGU N N 15 119.06 0.30 . 1 . . . A 14 CGU N . 25465 1 151 . 1 1 15 15 LEU H H 1 7.9500 0.05 . 1 . . . A 15 LEU H . 25465 1 152 . 1 1 15 15 LEU HA H 1 3.9950 0.05 . 1 . . . A 15 LEU HA . 25465 1 153 . 1 1 15 15 LEU HB2 H 1 1.5470 0.05 . 2 . . . A 15 LEU HB2 . 25465 1 154 . 1 1 15 15 LEU HB3 H 1 1.5470 0.05 . 2 . . . A 15 LEU HB3 . 25465 1 155 . 1 1 15 15 LEU HG H 1 1.4710 0.05 . 1 . . . A 15 LEU HG . 25465 1 156 . 1 1 15 15 LEU HD11 H 1 0.76800 0.05 . 2 . . . A 15 LEU HD11 . 25465 1 157 . 1 1 15 15 LEU HD12 H 1 0.76800 0.05 . 2 . . . A 15 LEU HD12 . 25465 1 158 . 1 1 15 15 LEU HD13 H 1 0.76800 0.05 . 2 . . . A 15 LEU HD13 . 25465 1 159 . 1 1 15 15 LEU HD21 H 1 0.67200 0.05 . 2 . . . A 15 LEU HD21 . 25465 1 160 . 1 1 15 15 LEU HD22 H 1 0.67200 0.05 . 2 . . . A 15 LEU HD22 . 25465 1 161 . 1 1 15 15 LEU HD23 H 1 0.67200 0.05 . 2 . . . A 15 LEU HD23 . 25465 1 162 . 1 1 15 15 LEU C C 13 180.71 0.20 . 1 . . . A 15 LEU C . 25465 1 163 . 1 1 15 15 LEU CA C 13 57.311 0.20 . 1 . . . A 15 LEU CA . 25465 1 164 . 1 1 15 15 LEU CB C 13 42.111 0.20 . 1 . . . A 15 LEU CB . 25465 1 165 . 1 1 15 15 LEU CG C 13 26.614 0.20 . 1 . . . A 15 LEU CG . 25465 1 166 . 1 1 15 15 LEU CD1 C 13 23.504 0.20 . 1 . . . A 15 LEU CD1 . 25465 1 167 . 1 1 15 15 LEU CD2 C 13 24.775 0.20 . 1 . . . A 15 LEU CD2 . 25465 1 168 . 1 1 15 15 LEU N N 15 119.68 0.30 . 1 . . . A 15 LEU N . 25465 1 169 . 1 1 16 16 ALA H H 1 7.6840 0.05 . 1 . . . A 16 ALA H . 25465 1 170 . 1 1 16 16 ALA HA H 1 4.1740 0.05 . 1 . . . A 16 ALA HA . 25465 1 171 . 1 1 16 16 ALA HB1 H 1 1.4530 0.05 . 1 . . . A 16 ALA HB1 . 25465 1 172 . 1 1 16 16 ALA HB2 H 1 1.4530 0.05 . 1 . . . A 16 ALA HB2 . 25465 1 173 . 1 1 16 16 ALA HB3 H 1 1.4530 0.05 . 1 . . . A 16 ALA HB3 . 25465 1 174 . 1 1 16 16 ALA C C 13 178.62 0.20 . 1 . . . A 16 ALA C . 25465 1 175 . 1 1 16 16 ALA CA C 13 53.806 0.20 . 1 . . . A 16 ALA CA . 25465 1 176 . 1 1 16 16 ALA CB C 13 18.506 0.20 . 1 . . . A 16 ALA CB . 25465 1 177 . 1 1 16 16 ALA N N 15 120.40 0.30 . 1 . . . A 16 ALA N . 25465 1 178 . 1 1 17 17 ASN H H 1 7.7630 0.05 . 1 . . . A 17 ASN H . 25465 1 179 . 1 1 17 17 ASN HA H 1 4.6840 0.05 . 1 . . . A 17 ASN HA . 25465 1 180 . 1 1 17 17 ASN HB2 H 1 2.8850 0.05 . 2 . . . A 17 ASN HB2 . 25465 1 181 . 1 1 17 17 ASN HB3 H 1 2.7300 0.05 . 2 . . . A 17 ASN HB3 . 25465 1 182 . 1 1 17 17 ASN HD21 H 1 7.7070 0.05 . 2 . . . A 17 ASN HD21 . 25465 1 183 . 1 1 17 17 ASN HD22 H 1 6.8820 0.05 . 2 . . . A 17 ASN HD22 . 25465 1 184 . 1 1 17 17 ASN C C 13 178.61 0.20 . 1 . . . A 17 ASN C . 25465 1 185 . 1 1 17 17 ASN CA C 13 53.523 0.20 . 1 . . . A 17 ASN CA . 25465 1 186 . 1 1 17 17 ASN CB C 13 39.580 0.20 . 1 . . . A 17 ASN CB . 25465 1 187 . 1 1 17 17 ASN N N 15 116.87 0.30 . 1 . . . A 17 ASN N . 25465 1 188 . 1 1 17 17 ASN ND2 N 15 113.39 0.30 . 1 . . . A 17 ASN ND2 . 25465 1 189 . 1 1 18 18 NH2 HN1 H 1 7.2340 0.05 . 2 . . . A 18 NH2 HN1 . 25465 1 190 . 1 1 18 18 NH2 HN2 H 1 7.1970 0.05 . 2 . . . A 18 NH2 HN2 . 25465 1 191 . 1 1 18 18 NH2 N N 15 106.45 0.30 . 1 . . . A 18 NH2 N . 25465 1 stop_ save_