################################### # 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 25423 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 2 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_2 _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 3 '3D 1H-15N NOESY' . . . 25423 1 6 '3D 1H-13C NOESY aliphatic' . . . 25423 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 2 $PIPP . . 25423 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 GLN HA H 1 4.1940 . . . . . . A 49 GLN HA . 25423 1 2 . 1 1 1 1 GLN HB2 H 1 2.0650 . . . . . . A 49 GLN HB2 . 25423 1 3 . 1 1 1 1 GLN HB3 H 1 1.9690 . . . . . . A 49 GLN HB3 . 25423 1 4 . 1 1 1 1 GLN HG2 H 1 2.3220 . . . . . . A 49 GLN HG2 . 25423 1 5 . 1 1 1 1 GLN HG3 H 1 2.3900 . . . . . . A 49 GLN HG3 . 25423 1 6 . 1 1 1 1 GLN HE21 H 1 7.4350 . . . . . . A 49 GLN HE21 . 25423 1 7 . 1 1 1 1 GLN HE22 H 1 6.8030 . . . . . . A 49 GLN HE22 . 25423 1 8 . 1 1 1 1 GLN H H 1 8.0360 . . . . . . A 49 GLN H1 . 25423 1 9 . 1 1 1 1 GLN CA C 13 55.7350 . . . . . . A 49 GLN CA . 25423 1 10 . 1 1 1 1 GLN CB C 13 28.8180 . . . . . . A 49 GLN CB . 25423 1 11 . 1 1 1 1 GLN CG C 13 33.5470 . . . . . . A 49 GLN CG . 25423 1 12 . 1 1 1 1 GLN N N 15 118.4470 . . . . . . A 49 GLN N . 25423 1 13 . 1 1 1 1 GLN NE2 N 15 112.3050 . . . . . . A 49 GLN NE2 . 25423 1 14 . 1 1 2 2 MET H H 1 7.9440 . . . . . . A 50 MET H . 25423 1 15 . 1 1 2 2 MET HA H 1 4.3540 . . . . . . A 50 MET HA . 25423 1 16 . 1 1 2 2 MET HB2 H 1 2.0120 . . . . . . A 50 MET HB2 . 25423 1 17 . 1 1 2 2 MET HB3 H 1 1.9730 . . . . . . A 50 MET HB3 . 25423 1 18 . 1 1 2 2 MET HG2 H 1 2.4930 . . . . . . A 50 MET HG2 . 25423 1 19 . 1 1 2 2 MET HG3 H 1 2.5690 . . . . . . A 50 MET HG3 . 25423 1 20 . 1 1 2 2 MET HE1 H 1 2.0030 . . . . . . A 50 MET HE1 . 25423 1 21 . 1 1 2 2 MET HE2 H 1 2.0030 . . . . . . A 50 MET HE2 . 25423 1 22 . 1 1 2 2 MET HE3 H 1 2.0030 . . . . . . A 50 MET HE3 . 25423 1 23 . 1 1 2 2 MET CA C 13 55.1490 . . . . . . A 50 MET CA . 25423 1 24 . 1 1 2 2 MET CB C 13 32.5140 . . . . . . A 50 MET CB . 25423 1 25 . 1 1 2 2 MET CG C 13 31.6880 . . . . . . A 50 MET CG . 25423 1 26 . 1 1 2 2 MET CE C 13 16.6450 . . . . . . A 50 MET CE . 25423 1 27 . 1 1 2 2 MET N N 15 120.0510 . . . . . . A 50 MET N . 25423 1 28 . 1 1 3 3 GLN H H 1 8.1430 . . . . . . A 51 GLN HN . 25423 1 29 . 1 1 3 3 GLN HA H 1 4.5140 . . . . . . A 51 GLN HA . 25423 1 30 . 1 1 3 3 GLN HB2 H 1 2.0130 . . . . . . A 51 GLN HB2 . 25423 1 31 . 1 1 3 3 GLN HB3 H 1 1.8440 . . . . . . A 51 GLN HB3 . 25423 1 32 . 1 1 3 3 GLN HG2 H 1 2.2970 . . . . . . A 51 GLN HG2 . 25423 1 33 . 1 1 3 3 GLN HG3 H 1 2.2970 . . . . . . A 51 GLN HG# . 25423 1 34 . 1 1 3 3 GLN HE21 H 1 7.4760 . . . . . . A 51 GLN HE21 . 25423 1 35 . 1 1 3 3 GLN HE22 H 1 6.8110 . . . . . . A 51 GLN HE22 . 25423 1 36 . 1 1 3 3 GLN CA C 13 53.3030 . . . . . . A 51 GLN CA . 25423 1 37 . 1 1 3 3 GLN CB C 13 28.7820 . . . . . . A 51 GLN CB . 25423 1 38 . 1 1 3 3 GLN CG C 13 33.0460 . . . . . . A 51 GLN CG . 25423 1 39 . 1 1 3 3 GLN N N 15 122.3110 . . . . . . A 51 GLN N . 25423 1 40 . 1 1 3 3 GLN NE2 N 15 112.7440 . . . . . . A 51 GLN NE2 . 25423 1 41 . 1 1 4 4 PRO HA H 1 4.3070 . . . . . . A 52 PRO HA . 25423 1 42 . 1 1 4 4 PRO HB2 H 1 2.1410 . . . . . . A 52 PRO HB2 . 25423 1 43 . 1 1 4 4 PRO HB3 H 1 1.6950 . . . . . . A 52 PRO HB3 . 25423 1 44 . 1 1 4 4 PRO HG2 H 1 1.8500 . . . . . . A 52 PRO HG2 . 25423 1 45 . 1 1 4 4 PRO HG3 H 1 1.8880 . . . . . . A 52 PRO HG3 . 25423 1 46 . 1 1 4 4 PRO HD2 H 1 3.6960 . . . . . . A 52 PRO HD2 . 25423 1 47 . 1 1 4 4 PRO HD3 H 1 3.5450 . . . . . . A 52 PRO HD3 . 25423 1 48 . 1 1 4 4 PRO CA C 13 62.4810 . . . . . . A 52 PRO CA . 25423 1 49 . 1 1 4 4 PRO CB C 13 31.8500 . . . . . . A 52 PRO CB . 25423 1 50 . 1 1 4 4 PRO CG C 13 27.1330 . . . . . . A 52 PRO CG . 25423 1 51 . 1 1 4 4 PRO CD C 13 50.1800 . . . . . . A 52 PRO CD . 25423 1 52 . 1 1 5 5 LEU H H 1 8.3120 . . . . . . A 53 LEU HN . 25423 1 53 . 1 1 5 5 LEU HA H 1 4.1510 . . . . . . A 53 LEU HA . 25423 1 54 . 1 1 5 5 LEU HB2 H 1 1.4080 . . . . . . A 53 LEU HB2 . 25423 1 55 . 1 1 5 5 LEU HB3 H 1 1.5060 . . . . . . A 53 LEU HB3 . 25423 1 56 . 1 1 5 5 LEU HG H 1 1.4990 . . . . . . A 53 LEU HG . 25423 1 57 . 1 1 5 5 LEU HD11 H 1 0.7500 . . . . . . A 53 LEU HD11 . 25423 1 58 . 1 1 5 5 LEU HD12 H 1 0.7500 . . . . . . A 53 LEU HD12 . 25423 1 59 . 1 1 5 5 LEU HD13 H 1 0.7500 . . . . . . A 53 LEU HD13 . 25423 1 60 . 1 1 5 5 LEU HD21 H 1 0.8090 . . . . . . A 53 LEU HD21 . 25423 1 61 . 1 1 5 5 LEU HD22 H 1 0.8090 . . . . . . A 53 LEU HD22 . 25423 1 62 . 1 1 5 5 LEU HD23 H 1 0.8090 . . . . . . A 53 LEU HD23 . 25423 1 63 . 1 1 5 5 LEU CA C 13 54.9320 . . . . . . A 53 LEU CA . 25423 1 64 . 1 1 5 5 LEU CB C 13 41.9740 . . . . . . A 53 LEU CB . 25423 1 65 . 1 1 5 5 LEU CG C 13 26.7500 . . . . . . A 53 LEU CG . 25423 1 66 . 1 1 5 5 LEU CD1 C 13 23.1500 . . . . . . A 53 LEU CD1 . 25423 1 67 . 1 1 5 5 LEU CD2 C 13 24.5470 . . . . . . A 53 LEU CD2 . 25423 1 68 . 1 1 5 5 LEU N N 15 121.8330 . . . . . . A 53 LEU N . 25423 1 69 . 1 1 6 6 CYS H H 1 7.7190 . . . . . . A 54 CYS H . 25423 1 70 . 1 1 6 6 CYS HA H 1 4.3950 . . . . . . A 54 CYS HA . 25423 1 71 . 1 1 6 6 CYS HB2 H 1 2.6950 . . . . . . A 54 CYS HB2 . 25423 1 72 . 1 1 6 6 CYS HB3 H 1 2.7450 . . . . . . A 54 CYS HB3 . 25423 1 73 . 1 1 6 6 CYS CA C 13 56.1820 . . . . . . A 54 CYS CA . 25423 1 74 . 1 1 6 6 CYS CB C 13 29.8690 . . . . . . A 54 CYS CB . 25423 1 75 . 1 1 6 6 CYS N N 15 115.8190 . . . . . . A 54 CYS N . 25423 1 76 . 1 1 7 7 PHE H H 1 8.7900 . . . . . . A 55 PHE H . 25423 1 77 . 1 1 7 7 PHE HA H 1 4.4980 . . . . . . A 55 PHE HA . 25423 1 78 . 1 1 7 7 PHE HB2 H 1 1.2540 . . . . . . A 55 PHE HB2 . 25423 1 79 . 1 1 7 7 PHE HB3 H 1 1.7290 . . . . . . A 55 PHE HB3 . 25423 1 80 . 1 1 7 7 PHE HD1 H 1 6.6920 . . . . . . A 55 PHE HD1 . 25423 1 81 . 1 1 7 7 PHE HD2 H 1 6.6920 . . . . . . A 55 PHE HD2 . 25423 1 82 . 1 1 7 7 PHE HE1 H 1 7.1670 . . . . . . A 55 PHE HE1 . 25423 1 83 . 1 1 7 7 PHE HE2 H 1 7.1670 . . . . . . A 55 PHE HE2 . 25423 1 84 . 1 1 7 7 PHE CA C 13 55.6900 . . . . . . A 55 PHE CA . 25423 1 85 . 1 1 7 7 PHE CB C 13 39.9810 . . . . . . A 55 PHE CB . 25423 1 86 . 1 1 7 7 PHE N N 15 119.0440 . . . . . . A 55 PHE N . 25423 1 87 . 1 1 8 8 ASN H H 1 8.4830 . . . . . . A 56 ASN HN . 25423 1 88 . 1 1 8 8 ASN HA H 1 5.3350 . . . . . . A 56 ASN HA . 25423 1 89 . 1 1 8 8 ASN HB2 H 1 2.4300 . . . . . . A 56 ASN HB2 . 25423 1 90 . 1 1 8 8 ASN HB3 H 1 2.4500 . . . . . . A 56 ASN HB3 . 25423 1 91 . 1 1 8 8 ASN HD21 H 1 6.5850 . . . . . . A 56 ASN HD21 . 25423 1 92 . 1 1 8 8 ASN HD22 H 1 7.2160 . . . . . . A 56 ASN HD22 . 25423 1 93 . 1 1 8 8 ASN CA C 13 51.2470 . . . . . . A 56 ASN CA . 25423 1 94 . 1 1 8 8 ASN CB C 13 40.3030 . . . . . . A 56 ASN CB . 25423 1 95 . 1 1 8 8 ASN N N 15 119.2540 . . . . . . A 56 ASN N . 25423 1 96 . 1 1 8 8 ASN ND2 N 15 112.9680 . . . . . . A 56 ASN ND2 . 25423 1 97 . 1 1 9 9 CYS H H 1 9.4040 . . . . . . A 57 CYS H . 25423 1 98 . 1 1 9 9 CYS HA H 1 4.9050 . . . . . . A 57 CYS HA . 25423 1 99 . 1 1 9 9 CYS HB2 H 1 3.0680 . . . . . . A 57 CYS HB2 . 25423 1 100 . 1 1 9 9 CYS HB3 H 1 3.5250 . . . . . . A 57 CYS HB3 . 25423 1 101 . 1 1 9 9 CYS CA C 13 57.4160 . . . . . . A 57 CYS CA . 25423 1 102 . 1 1 9 9 CYS CB C 13 29.7870 . . . . . . A 57 CYS CB . 25423 1 103 . 1 1 9 9 CYS N N 15 127.4390 . . . . . . A 57 CYS N . 25423 1 104 . 1 1 10 10 PRO HA H 1 4.5740 . . . . . . A 58 PRO HA . 25423 1 105 . 1 1 10 10 PRO HB2 H 1 2.4030 . . . . . . A 58 PRO HB2 . 25423 1 106 . 1 1 10 10 PRO HB3 H 1 2.0590 . . . . . . A 58 PRO HB3 . 25423 1 107 . 1 1 10 10 PRO HG2 H 1 2.2260 . . . . . . A 58 PRO HG2 . 25423 1 108 . 1 1 10 10 PRO HG3 H 1 1.9870 . . . . . . A 58 PRO HG3 . 25423 1 109 . 1 1 10 10 PRO HD2 H 1 4.2470 . . . . . . A 58 PRO HD2 . 25423 1 110 . 1 1 10 10 PRO HD3 H 1 4.3670 . . . . . . A 58 PRO HD3 . 25423 1 111 . 1 1 10 10 PRO CA C 13 63.7960 . . . . . . A 58 PRO CA . 25423 1 112 . 1 1 10 10 PRO CB C 13 31.9120 . . . . . . A 58 PRO CB . 25423 1 113 . 1 1 10 10 PRO CG C 13 26.6640 . . . . . . A 58 PRO CG . 25423 1 114 . 1 1 10 10 PRO CD C 13 51.3210 . . . . . . A 58 PRO CD . 25423 1 115 . 1 1 11 11 ILE H H 1 9.0060 . . . . . . A 59 ILE HN . 25423 1 116 . 1 1 11 11 ILE HA H 1 3.9190 . . . . . . A 59 ILE HA . 25423 1 117 . 1 1 11 11 ILE HB H 1 0.9530 . . . . . . A 59 ILE HB . 25423 1 118 . 1 1 11 11 ILE HG12 H 1 1.0390 . . . . . . A 59 ILE HG12 . 25423 1 119 . 1 1 11 11 ILE HG13 H 1 1.1590 . . . . . . A 59 ILE HG13 . 25423 1 120 . 1 1 11 11 ILE HG21 H 1 0.2510 . . . . . . A 59 ILE HG21 . 25423 1 121 . 1 1 11 11 ILE HG22 H 1 0.2510 . . . . . . A 59 ILE HG22 . 25423 1 122 . 1 1 11 11 ILE HG23 H 1 0.2510 . . . . . . A 59 ILE HG23 . 25423 1 123 . 1 1 11 11 ILE HD11 H 1 0.6150 . . . . . . A 59 ILE HD11 . 25423 1 124 . 1 1 11 11 ILE HD12 H 1 0.6150 . . . . . . A 59 ILE HD12 . 25423 1 125 . 1 1 11 11 ILE HD13 H 1 0.6150 . . . . . . A 59 ILE HD13 . 25423 1 126 . 1 1 11 11 ILE CA C 13 62.0840 . . . . . . A 59 ILE CA . 25423 1 127 . 1 1 11 11 ILE CB C 13 38.5490 . . . . . . A 59 ILE CB . 25423 1 128 . 1 1 11 11 ILE CG1 C 13 28.1330 . . . . . . A 59 ILE CG1 . 25423 1 129 . 1 1 11 11 ILE CG2 C 13 16.5120 . . . . . . A 59 ILE CG2 . 25423 1 130 . 1 1 11 11 ILE CD1 C 13 11.9400 . . . . . . A 59 ILE CD1 . 25423 1 131 . 1 1 11 11 ILE N N 15 122.5150 . . . . . . A 59 ILE N . 25423 1 132 . 1 1 12 12 CYS H H 1 8.4500 . . . . . . A 60 CYS H . 25423 1 133 . 1 1 12 12 CYS HA H 1 5.1230 . . . . . . A 60 CYS HA . 25423 1 134 . 1 1 12 12 CYS HB2 H 1 3.4550 . . . . . . A 60 CYS HB2 . 25423 1 135 . 1 1 12 12 CYS HB3 H 1 2.7330 . . . . . . A 60 CYS HB3 . 25423 1 136 . 1 1 12 12 CYS CA C 13 57.9240 . . . . . . A 60 CYS CA . 25423 1 137 . 1 1 12 12 CYS CB C 13 31.8560 . . . . . . A 60 CYS CB . 25423 1 138 . 1 1 12 12 CYS N N 15 119.6200 . . . . . . A 60 CYS N . 25423 1 139 . 1 1 13 13 ASP H H 1 8.0690 . . . . . . A 61 ASP H . 25423 1 140 . 1 1 13 13 ASP HA H 1 4.6740 . . . . . . A 61 ASP HA . 25423 1 141 . 1 1 13 13 ASP HB2 H 1 2.7870 . . . . . . A 61 ASP HB2 . 25423 1 142 . 1 1 13 13 ASP HB3 H 1 2.8990 . . . . . . A 61 ASP HB3 . 25423 1 143 . 1 1 13 13 ASP CA C 13 55.8980 . . . . . . A 61 ASP CA . 25423 1 144 . 1 1 13 13 ASP CB C 13 40.4490 . . . . . . A 61 ASP CB . 25423 1 145 . 1 1 13 13 ASP N N 15 119.4530 . . . . . . A 61 ASP N . 25423 1 146 . 1 1 14 14 LYS H H 1 8.1260 . . . . . . A 62 LYS H . 25423 1 147 . 1 1 14 14 LYS HA H 1 4.0010 . . . . . . A 62 LYS HA . 25423 1 148 . 1 1 14 14 LYS HB2 H 1 1.2650 . . . . . . A 62 LYS HB2 . 25423 1 149 . 1 1 14 14 LYS HB3 H 1 1.7880 . . . . . . A 62 LYS HB3 . 25423 1 150 . 1 1 14 14 LYS HG2 H 1 1.2690 . . . . . . A 62 LYS HG2 . 25423 1 151 . 1 1 14 14 LYS HG3 H 1 0.8280 . . . . . . A 62 LYS HG3 . 25423 1 152 . 1 1 14 14 LYS HD2 H 1 1.1830 . . . . . . A 62 LYS HD2 . 25423 1 153 . 1 1 14 14 LYS HD3 H 1 1.4380 . . . . . . A 62 LYS HD3 . 25423 1 154 . 1 1 14 14 LYS HE2 H 1 2.5950 . . . . . . A 62 LYS HE2 . 25423 1 155 . 1 1 14 14 LYS HE3 H 1 2.7660 . . . . . . A 62 LYS HE3 . 25423 1 156 . 1 1 14 14 LYS CA C 13 58.1440 . . . . . . A 62 LYS CA . 25423 1 157 . 1 1 14 14 LYS CB C 13 33.8710 . . . . . . A 62 LYS CB . 25423 1 158 . 1 1 14 14 LYS CG C 13 25.4960 . . . . . . A 62 LYS CG . 25423 1 159 . 1 1 14 14 LYS CD C 13 28.8750 . . . . . . A 62 LYS CD . 25423 1 160 . 1 1 14 14 LYS CE C 13 41.3900 . . . . . . A 62 LYS CE . 25423 1 161 . 1 1 14 14 LYS N N 15 122.8650 . . . . . . A 62 LYS N . 25423 1 162 . 1 1 15 15 ILE H H 1 7.8380 . . . . . . A 63 ILE HN . 25423 1 163 . 1 1 15 15 ILE HA H 1 4.8440 . . . . . . A 63 ILE HA . 25423 1 164 . 1 1 15 15 ILE HB H 1 1.4830 . . . . . . A 63 ILE HB . 25423 1 165 . 1 1 15 15 ILE HG12 H 1 1.5560 . . . . . . A 63 ILE HG12 . 25423 1 166 . 1 1 15 15 ILE HG13 H 1 0.9660 . . . . . . A 63 ILE HG13 . 25423 1 167 . 1 1 15 15 ILE HG21 H 1 0.7200 . . . . . . A 63 ILE HG21 . 25423 1 168 . 1 1 15 15 ILE HG22 H 1 0.7200 . . . . . . A 63 ILE HG22 . 25423 1 169 . 1 1 15 15 ILE HG23 H 1 0.7200 . . . . . . A 63 ILE HG23 . 25423 1 170 . 1 1 15 15 ILE HD11 H 1 0.7550 . . . . . . A 63 ILE HD11 . 25423 1 171 . 1 1 15 15 ILE HD12 H 1 0.7550 . . . . . . A 63 ILE HD12 . 25423 1 172 . 1 1 15 15 ILE HD13 H 1 0.7550 . . . . . . A 63 ILE HD13 . 25423 1 173 . 1 1 15 15 ILE CA C 13 59.8550 . . . . . . A 63 ILE CA . 25423 1 174 . 1 1 15 15 ILE CB C 13 39.9090 . . . . . . A 63 ILE CB . 25423 1 175 . 1 1 15 15 ILE CG1 C 13 27.3460 . . . . . . A 63 ILE CG1 . 25423 1 176 . 1 1 15 15 ILE CG2 C 13 17.5530 . . . . . . A 63 ILE CG2 . 25423 1 177 . 1 1 15 15 ILE CD1 C 13 13.2510 . . . . . . A 63 ILE CD1 . 25423 1 178 . 1 1 15 15 ILE N N 15 123.3980 . . . . . . A 63 ILE N . 25423 1 179 . 1 1 16 16 PHE H H 1 9.0540 . . . . . . A 64 PHE H . 25423 1 180 . 1 1 16 16 PHE HA H 1 4.8650 . . . . . . A 64 PHE HA . 25423 1 181 . 1 1 16 16 PHE HB2 H 1 3.1060 . . . . . . A 64 PHE HB2 . 25423 1 182 . 1 1 16 16 PHE HB3 H 1 2.6990 . . . . . . A 64 PHE HB3 . 25423 1 183 . 1 1 16 16 PHE HD1 H 1 7.3500 . . . . . . A 64 PHE HD1 . 25423 1 184 . 1 1 16 16 PHE HD2 H 1 7.3500 . . . . . . A 64 PHE HD2 . 25423 1 185 . 1 1 16 16 PHE HE1 H 1 6.8420 . . . . . . A 64 PHE HE1 . 25423 1 186 . 1 1 16 16 PHE HE2 H 1 6.8420 . . . . . . A 64 PHE HE2 . 25423 1 187 . 1 1 16 16 PHE HZ H 1 6.3690 . . . . . . A 64 PHE HZ . 25423 1 188 . 1 1 16 16 PHE CA C 13 54.2690 . . . . . . A 64 PHE CA . 25423 1 189 . 1 1 16 16 PHE CB C 13 41.3930 . . . . . . A 64 PHE CB . 25423 1 190 . 1 1 16 16 PHE N N 15 124.9210 . . . . . . A 64 PHE N . 25423 1 191 . 1 1 17 17 PRO HA H 1 4.6110 . . . . . . A 65 PRO HA . 25423 1 192 . 1 1 17 17 PRO HB2 H 1 2.3740 . . . . . . A 65 PRO HB2 . 25423 1 193 . 1 1 17 17 PRO HB3 H 1 1.9930 . . . . . . A 65 PRO HB3 . 25423 1 194 . 1 1 17 17 PRO HG2 H 1 1.9810 . . . . . . A 65 PRO HG2 . 25423 1 195 . 1 1 17 17 PRO HG3 H 1 1.9810 . . . . . . A 65 PRO HG3 . 25423 1 196 . 1 1 17 17 PRO HD2 H 1 3.8400 . . . . . . A 65 PRO HD2 . 25423 1 197 . 1 1 17 17 PRO HD3 H 1 3.7520 . . . . . . A 65 PRO HD3 . 25423 1 198 . 1 1 17 17 PRO CA C 13 62.0500 . . . . . . A 65 PRO CA . 25423 1 199 . 1 1 17 17 PRO CB C 13 32.6250 . . . . . . A 65 PRO CB . 25423 1 200 . 1 1 17 17 PRO CG C 13 27.4870 . . . . . . A 65 PRO CG . 25423 1 201 . 1 1 17 17 PRO CD C 13 50.4210 . . . . . . A 65 PRO CD . 25423 1 202 . 1 1 18 18 ALA H H 1 8.2710 . . . . . . A 66 ALA H . 25423 1 203 . 1 1 18 18 ALA HA H 1 3.7790 . . . . . . A 66 ALA HA . 25423 1 204 . 1 1 18 18 ALA HB1 H 1 1.0980 . . . . . . A 66 ALA HB1 . 25423 1 205 . 1 1 18 18 ALA HB2 H 1 1.0980 . . . . . . A 66 ALA HB2 . 25423 1 206 . 1 1 18 18 ALA HB3 H 1 1.0980 . . . . . . A 66 ALA HB3 . 25423 1 207 . 1 1 18 18 ALA CA C 13 53.8620 . . . . . . A 66 ALA CA . 25423 1 208 . 1 1 18 18 ALA CB C 13 18.1440 . . . . . . A 66 ALA CB . 25423 1 209 . 1 1 18 18 ALA N N 15 121.9230 . . . . . . A 66 ALA N . 25423 1 210 . 1 1 19 19 THR H H 1 7.1750 . . . . . . A 67 THR HN . 25423 1 211 . 1 1 19 19 THR HA H 1 4.2320 . . . . . . A 67 THR HA . 25423 1 212 . 1 1 19 19 THR HB H 1 4.4910 . . . . . . A 67 THR HB . 25423 1 213 . 1 1 19 19 THR HG21 H 1 1.2520 . . . . . . A 67 THR HG21 . 25423 1 214 . 1 1 19 19 THR HG22 H 1 1.2520 . . . . . . A 67 THR HG22 . 25423 1 215 . 1 1 19 19 THR HG23 H 1 1.2520 . . . . . . A 67 THR HG23 . 25423 1 216 . 1 1 19 19 THR CA C 13 61.8240 . . . . . . A 67 THR CA . 25423 1 217 . 1 1 19 19 THR CB C 13 68.1030 . . . . . . A 67 THR CB . 25423 1 218 . 1 1 19 19 THR CG2 C 13 22.3260 . . . . . . A 67 THR CG2 . 25423 1 219 . 1 1 19 19 THR N N 15 104.0760 . . . . . . A 67 THR N . 25423 1 220 . 1 1 20 20 GLU H H 1 7.8790 . . . . . . A 68 GLU H . 25423 1 221 . 1 1 20 20 GLU HA H 1 4.9230 . . . . . . A 68 GLU HA . 25423 1 222 . 1 1 20 20 GLU HB2 H 1 2.6000 . . . . . . A 68 GLU HB2 . 25423 1 223 . 1 1 20 20 GLU HB3 H 1 1.9530 . . . . . . A 68 GLU HB3 . 25423 1 224 . 1 1 20 20 GLU HG2 H 1 2.2920 . . . . . . A 68 GLU HG2 . 25423 1 225 . 1 1 20 20 GLU HG3 H 1 2.1560 . . . . . . A 68 GLU HG3 . 25423 1 226 . 1 1 20 20 GLU CA C 13 54.3370 . . . . . . A 68 GLU CA . 25423 1 227 . 1 1 20 20 GLU CB C 13 28.2870 . . . . . . A 68 GLU CB . 25423 1 228 . 1 1 20 20 GLU CG C 13 35.5800 . . . . . . A 68 GLU CG . 25423 1 229 . 1 1 20 20 GLU N N 15 122.7880 . . . . . . A 68 GLU N . 25423 1 230 . 1 1 21 21 LYS H H 1 7.6270 . . . . . . A 69 LYS H . 25423 1 231 . 1 1 21 21 LYS HA H 1 3.4340 . . . . . . A 69 LYS HA . 25423 1 232 . 1 1 21 21 LYS HB2 H 1 1.7470 . . . . . . A 69 LYS HB2 . 25423 1 233 . 1 1 21 21 LYS HB3 H 1 1.9090 . . . . . . A 69 LYS HB3 . 25423 1 234 . 1 1 21 21 LYS HG2 H 1 0.9700 . . . . . . A 69 LYS HG2 . 25423 1 235 . 1 1 21 21 LYS HG3 H 1 1.2340 . . . . . . A 69 LYS HG3 . 25423 1 236 . 1 1 21 21 LYS HD2 H 1 1.5690 . . . . . . A 69 LYS HD2 . 25423 1 237 . 1 1 21 21 LYS HD3 H 1 1.6680 . . . . . . A 69 LYS HD3 . 25423 1 238 . 1 1 21 21 LYS HE2 H 1 2.8860 . . . . . . A 69 LYS HE2 . 25423 1 239 . 1 1 21 21 LYS HE3 H 1 2.8860 . . . . . . A 69 LYS HE3 . 25423 1 240 . 1 1 21 21 LYS CA C 13 60.4100 . . . . . . A 69 LYS CA . 25423 1 241 . 1 1 21 21 LYS CB C 13 32.3000 . . . . . . A 69 LYS CB . 25423 1 242 . 1 1 21 21 LYS CG C 13 24.5370 . . . . . . A 69 LYS CG . 25423 1 243 . 1 1 21 21 LYS CD C 13 29.3020 . . . . . . A 69 LYS CD . 25423 1 244 . 1 1 21 21 LYS CE C 13 41.6320 . . . . . . A 69 LYS CE . 25423 1 245 . 1 1 21 21 LYS N N 15 121.1360 . . . . . . A 69 LYS N . 25423 1 246 . 1 1 22 22 GLN H H 1 8.5030 . . . . . . A 70 GLN HN . 25423 1 247 . 1 1 22 22 GLN HA H 1 3.9180 . . . . . . A 70 GLN HA . 25423 1 248 . 1 1 22 22 GLN HB2 H 1 1.9750 . . . . . . A 70 GLN HB2 . 25423 1 249 . 1 1 22 22 GLN HB3 H 1 2.0410 . . . . . . A 70 GLN HB3 . 25423 1 250 . 1 1 22 22 GLN HG2 H 1 2.3070 . . . . . . A 70 GLN HG2 . 25423 1 251 . 1 1 22 22 GLN HG3 H 1 2.3070 . . . . . . A 70 GLN HG# . 25423 1 252 . 1 1 22 22 GLN HE21 H 1 7.6720 . . . . . . A 70 GLN HE21 . 25423 1 253 . 1 1 22 22 GLN HE22 H 1 6.8910 . . . . . . A 70 GLN HE22 . 25423 1 254 . 1 1 22 22 GLN CA C 13 58.6630 . . . . . . A 70 GLN CA . 25423 1 255 . 1 1 22 22 GLN CB C 13 27.7530 . . . . . . A 70 GLN CB . 25423 1 256 . 1 1 22 22 GLN CG C 13 33.6290 . . . . . . A 70 GLN CG . 25423 1 257 . 1 1 22 22 GLN N N 15 117.0130 . . . . . . A 70 GLN N . 25423 1 258 . 1 1 22 22 GLN NE2 N 15 115.3770 . . . . . . A 70 GLN NE2 . 25423 1 259 . 1 1 23 23 ILE H H 1 7.3080 . . . . . . A 71 ILE HN . 25423 1 260 . 1 1 23 23 ILE HA H 1 3.7550 . . . . . . A 71 ILE HA . 25423 1 261 . 1 1 23 23 ILE HB H 1 1.9450 . . . . . . A 71 ILE HB . 25423 1 262 . 1 1 23 23 ILE HG12 H 1 1.2390 . . . . . . A 71 ILE HG12 . 25423 1 263 . 1 1 23 23 ILE HG13 H 1 1.6340 . . . . . . A 71 ILE HG13 . 25423 1 264 . 1 1 23 23 ILE HG21 H 1 1.0710 . . . . . . A 71 ILE HG21 . 25423 1 265 . 1 1 23 23 ILE HG22 H 1 1.0710 . . . . . . A 71 ILE HG22 . 25423 1 266 . 1 1 23 23 ILE HG23 H 1 1.0710 . . . . . . A 71 ILE HG23 . 25423 1 267 . 1 1 23 23 ILE HD11 H 1 0.8950 . . . . . . A 71 ILE HD11 . 25423 1 268 . 1 1 23 23 ILE HD12 H 1 0.8950 . . . . . . A 71 ILE HD12 . 25423 1 269 . 1 1 23 23 ILE HD13 H 1 0.8950 . . . . . . A 71 ILE HD13 . 25423 1 270 . 1 1 23 23 ILE CA C 13 63.8450 . . . . . . A 71 ILE CA . 25423 1 271 . 1 1 23 23 ILE CB C 13 37.6370 . . . . . . A 71 ILE CB . 25423 1 272 . 1 1 23 23 ILE CG1 C 13 28.7280 . . . . . . A 71 ILE CG1 . 25423 1 273 . 1 1 23 23 ILE CG2 C 13 17.4830 . . . . . . A 71 ILE CG2 . 25423 1 274 . 1 1 23 23 ILE CD1 C 13 12.3890 . . . . . . A 71 ILE CD1 . 25423 1 275 . 1 1 23 23 ILE N N 15 119.5880 . . . . . . A 71 ILE N . 25423 1 276 . 1 1 24 24 PHE H H 1 8.0430 . . . . . . A 72 PHE H . 25423 1 277 . 1 1 24 24 PHE HA H 1 2.9670 . . . . . . A 72 PHE HA . 25423 1 278 . 1 1 24 24 PHE HB2 H 1 2.7740 . . . . . . A 72 PHE HB2 . 25423 1 279 . 1 1 24 24 PHE HB3 H 1 2.4070 . . . . . . A 72 PHE HB3 . 25423 1 280 . 1 1 24 24 PHE HD1 H 1 6.5420 . . . . . . A 72 PHE HD1 . 25423 1 281 . 1 1 24 24 PHE HD2 H 1 6.5420 . . . . . . A 72 PHE HD2 . 25423 1 282 . 1 1 24 24 PHE HE1 H 1 6.9730 . . . . . . A 72 PHE HE1 . 25423 1 283 . 1 1 24 24 PHE HE2 H 1 6.9730 . . . . . . A 72 PHE HE2 . 25423 1 284 . 1 1 24 24 PHE HZ H 1 7.2490 . . . . . . A 72 PHE HZ . 25423 1 285 . 1 1 24 24 PHE CA C 13 59.4360 . . . . . . A 72 PHE CA . 25423 1 286 . 1 1 24 24 PHE CB C 13 37.4060 . . . . . . A 72 PHE CB . 25423 1 287 . 1 1 24 24 PHE N N 15 122.3930 . . . . . . A 72 PHE N . 25423 1 288 . 1 1 25 25 GLU H H 1 8.3070 . . . . . . A 73 GLU H . 25423 1 289 . 1 1 25 25 GLU HA H 1 3.2350 . . . . . . A 73 GLU HA . 25423 1 290 . 1 1 25 25 GLU HB2 H 1 1.7820 . . . . . . A 73 GLU HB2 . 25423 1 291 . 1 1 25 25 GLU HB3 H 1 1.9120 . . . . . . A 73 GLU HB3 . 25423 1 292 . 1 1 25 25 GLU HG2 H 1 1.9950 . . . . . . A 73 GLU HG2 . 25423 1 293 . 1 1 25 25 GLU HG3 H 1 2.4050 . . . . . . A 73 GLU HG3 . 25423 1 294 . 1 1 25 25 GLU CA C 13 59.3760 . . . . . . A 73 GLU CA . 25423 1 295 . 1 1 25 25 GLU CB C 13 28.4690 . . . . . . A 73 GLU CB . 25423 1 296 . 1 1 25 25 GLU CG C 13 36.8260 . . . . . . A 73 GLU CG . 25423 1 297 . 1 1 25 25 GLU N N 15 119.3500 . . . . . . A 73 GLU N . 25423 1 298 . 1 1 26 26 ASP H H 1 8.1300 . . . . . . A 74 ASP H . 25423 1 299 . 1 1 26 26 ASP HA H 1 4.3680 . . . . . . A 74 ASP HA . 25423 1 300 . 1 1 26 26 ASP HB2 H 1 2.6610 . . . . . . A 74 ASP HB2 . 25423 1 301 . 1 1 26 26 ASP HB3 H 1 2.5790 . . . . . . A 74 ASP HB3 . 25423 1 302 . 1 1 26 26 ASP CA C 13 56.8890 . . . . . . A 74 ASP CA . 25423 1 303 . 1 1 26 26 ASP CB C 13 40.2110 . . . . . . A 74 ASP CB . 25423 1 304 . 1 1 26 26 ASP N N 15 120.0850 . . . . . . A 74 ASP N . 25423 1 305 . 1 1 27 27 HIS H H 1 8.0370 . . . . . . A 75 HIS H . 25423 1 306 . 1 1 27 27 HIS HA H 1 3.9880 . . . . . . A 75 HIS HA . 25423 1 307 . 1 1 27 27 HIS HB2 H 1 3.0590 . . . . . . A 75 HIS HB2 . 25423 1 308 . 1 1 27 27 HIS HB3 H 1 3.4280 . . . . . . A 75 HIS HB3 . 25423 1 309 . 1 1 27 27 HIS HD2 H 1 6.9970 . . . . . . A 75 HIS HD2 . 25423 1 310 . 1 1 27 27 HIS HE1 H 1 7.9390 . . . . . . A 75 HIS HE1 . 25423 1 311 . 1 1 27 27 HIS CA C 13 59.7290 . . . . . . A 75 HIS CA . 25423 1 312 . 1 1 27 27 HIS CB C 13 27.2800 . . . . . . A 75 HIS CB . 25423 1 313 . 1 1 27 27 HIS N N 15 120.7120 . . . . . . A 75 HIS N . 25423 1 314 . 1 1 28 28 VAL H H 1 8.1680 . . . . . . A 76 VAL HN . 25423 1 315 . 1 1 28 28 VAL HA H 1 3.4380 . . . . . . A 76 VAL HA . 25423 1 316 . 1 1 28 28 VAL HB H 1 1.7260 . . . . . . A 76 VAL HB . 25423 1 317 . 1 1 28 28 VAL HG11 H 1 0.7600 . . . . . . A 76 VAL HG11 . 25423 1 318 . 1 1 28 28 VAL HG12 H 1 0.7600 . . . . . . A 76 VAL HG12 . 25423 1 319 . 1 1 28 28 VAL HG13 H 1 0.7600 . . . . . . A 76 VAL HG13 . 25423 1 320 . 1 1 28 28 VAL HG21 H 1 0.8190 . . . . . . A 76 VAL HG21 . 25423 1 321 . 1 1 28 28 VAL HG22 H 1 0.8190 . . . . . . A 76 VAL HG22 . 25423 1 322 . 1 1 28 28 VAL HG23 H 1 0.8190 . . . . . . A 76 VAL HG23 . 25423 1 323 . 1 1 28 28 VAL CA C 13 67.0430 . . . . . . A 76 VAL CA . 25423 1 324 . 1 1 28 28 VAL CB C 13 31.6480 . . . . . . A 76 VAL CB . 25423 1 325 . 1 1 28 28 VAL CG1 C 13 23.0760 . . . . . . A 76 VAL CG1 . 25423 1 326 . 1 1 28 28 VAL CG2 C 13 21.1440 . . . . . . A 76 VAL CG2 . 25423 1 327 . 1 1 28 28 VAL N N 15 119.2760 . . . . . . A 76 VAL N . 25423 1 328 . 1 1 29 29 PHE H H 1 7.9500 . . . . . . A 77 PHE H . 25423 1 329 . 1 1 29 29 PHE HA H 1 4.1840 . . . . . . A 77 PHE HA . 25423 1 330 . 1 1 29 29 PHE HB2 H 1 3.1850 . . . . . . A 77 PHE HB2 . 25423 1 331 . 1 1 29 29 PHE HB3 H 1 3.1850 . . . . . . A 77 PHE HB3 . 25423 1 332 . 1 1 29 29 PHE HD1 H 1 7.2080 . . . . . . A 77 PHE HD1 . 25423 1 333 . 1 1 29 29 PHE HD2 H 1 7.2080 . . . . . . A 77 PHE HD2 . 25423 1 334 . 1 1 29 29 PHE HE1 H 1 7.2360 . . . . . . A 77 PHE HE1 . 25423 1 335 . 1 1 29 29 PHE HE2 H 1 7.2360 . . . . . . A 77 PHE HE2 . 25423 1 336 . 1 1 29 29 PHE CA C 13 60.5380 . . . . . . A 77 PHE CA . 25423 1 337 . 1 1 29 29 PHE CB C 13 38.6160 . . . . . . A 77 PHE CB . 25423 1 338 . 1 1 29 29 PHE N N 15 120.8830 . . . . . . A 77 PHE N . 25423 1 339 . 1 1 30 30 CYS H H 1 8.0170 . . . . . . A 78 CYS H . 25423 1 340 . 1 1 30 30 CYS HA H 1 3.9300 . . . . . . A 78 CYS HA . 25423 1 341 . 1 1 30 30 CYS HB2 H 1 2.7110 . . . . . . A 78 CYS HB2 . 25423 1 342 . 1 1 30 30 CYS HB3 H 1 2.8200 . . . . . . A 78 CYS HB3 . 25423 1 343 . 1 1 30 30 CYS CA C 13 62.3750 . . . . . . A 78 CYS CA . 25423 1 344 . 1 1 30 30 CYS CB C 13 26.0950 . . . . . . A 78 CYS CB . 25423 1 345 . 1 1 30 30 CYS N N 15 116.9560 . . . . . . A 78 CYS N . 25423 1 346 . 1 1 31 31 HIS H H 1 7.2290 . . . . . . A 79 HIS H . 25423 1 347 . 1 1 31 31 HIS HA H 1 4.3870 . . . . . . A 79 HIS HA . 25423 1 348 . 1 1 31 31 HIS HB2 H 1 3.2230 . . . . . . A 79 HIS HB2 . 25423 1 349 . 1 1 31 31 HIS HB3 H 1 3.0980 . . . . . . A 79 HIS HB3 . 25423 1 350 . 1 1 31 31 HIS HD2 H 1 6.6190 . . . . . . A 79 HIS HD2 . 25423 1 351 . 1 1 31 31 HIS HE1 H 1 7.9920 . . . . . . A 79 HIS HE1 . 25423 1 352 . 1 1 31 31 HIS CA C 13 57.9100 . . . . . . A 79 HIS CA . 25423 1 353 . 1 1 31 31 HIS CB C 13 28.4750 . . . . . . A 79 HIS CB . 25423 1 354 . 1 1 31 31 HIS N N 15 117.0410 . . . . . . A 79 HIS N . 25423 1 355 . 1 1 32 32 SER H H 1 7.9020 . . . . . . A 80 SER H . 25423 1 356 . 1 1 32 32 SER HA H 1 4.3430 . . . . . . A 80 SER HA . 25423 1 357 . 1 1 32 32 SER HB2 H 1 3.7810 . . . . . . A 80 SER HB2 . 25423 1 358 . 1 1 32 32 SER HB3 H 1 3.7810 . . . . . . A 80 SER HB3 . 25423 1 359 . 1 1 32 32 SER CA C 13 58.4480 . . . . . . A 80 SER CA . 25423 1 360 . 1 1 32 32 SER CB C 13 63.4710 . . . . . . A 80 SER CB . 25423 1 361 . 1 1 32 32 SER N N 15 114.6840 . . . . . . A 80 SER N . 25423 1 362 . 1 1 33 33 LEU H H 1 7.1050 . . . . . . A 81 LEU HN . 25423 1 363 . 1 1 33 33 LEU HA H 1 4.0130 . . . . . . A 81 LEU HA . 25423 1 364 . 1 1 33 33 LEU HB2 H 1 1.4350 . . . . . . A 81 LEU HB2 . 25423 1 365 . 1 1 33 33 LEU HB3 H 1 1.5510 . . . . . . A 81 LEU HB3 . 25423 1 366 . 1 1 33 33 LEU HG H 1 1.3610 . . . . . . A 81 LEU HG . 25423 1 367 . 1 1 33 33 LEU HD11 H 1 0.8310 . . . . . . A 81 LEU HD11 . 25423 1 368 . 1 1 33 33 LEU HD12 H 1 0.8310 . . . . . . A 81 LEU HD12 . 25423 1 369 . 1 1 33 33 LEU HD13 H 1 0.8310 . . . . . . A 81 LEU HD13 . 25423 1 370 . 1 1 33 33 LEU HD21 H 1 0.6860 . . . . . . A 81 LEU HD21 . 25423 1 371 . 1 1 33 33 LEU HD22 H 1 0.6860 . . . . . . A 81 LEU HD22 . 25423 1 372 . 1 1 33 33 LEU HD23 H 1 0.6860 . . . . . . A 81 LEU HD23 . 25423 1 373 . 1 1 33 33 LEU CA C 13 56.2060 . . . . . . A 81 LEU CA . 25423 1 374 . 1 1 33 33 LEU CB C 13 42.6170 . . . . . . A 81 LEU CB . 25423 1 375 . 1 1 33 33 LEU CG C 13 26.6330 . . . . . . A 81 LEU CG . 25423 1 376 . 1 1 33 33 LEU CD1 C 13 25.3360 . . . . . . A 81 LEU CD1 . 25423 1 377 . 1 1 33 33 LEU CD2 C 13 22.4850 . . . . . . A 81 LEU CD2 . 25423 1 378 . 1 1 33 33 LEU N N 15 128.5350 . . . . . . A 81 LEU N . 25423 1 stop_ save_