################################### # 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 30123 _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 0.01 _Assigned_chem_shift_list.Chem_shift_13C_err 0.1 _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' . . . 30123 1 2 '2D 1H-1H NOESY' . . . 30123 1 3 '2D 1H-13C HSQC' . . . 30123 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 2 2 MET H H 1 8.3500 0.02 . 1 . . . A 1 MET H1 . 30123 1 2 . 1 1 2 2 MET HB2 H 1 1.8200 0.02 . 2 . . . A 1 MET HB2 . 30123 1 3 . 1 1 2 2 MET HB3 H 1 1.8200 0.02 . 2 . . . A 1 MET HB3 . 30123 1 4 . 1 1 2 2 MET HG3 H 1 2.4100 0.02 . 2 . . . A 1 MET HG3 . 30123 1 5 . 1 1 2 2 MET CA C 13 56.5770 0.02 . 1 . . . A 1 MET CA . 30123 1 6 . 1 1 2 2 MET CB C 13 32.7010 0.02 . 1 . . . A 1 MET CB . 30123 1 7 . 1 1 3 3 ASN H H 1 8.4560 0.02 . 1 . . . A 2 ASN H . 30123 1 8 . 1 1 3 3 ASN HA H 1 4.7090 0.02 . 1 . . . A 2 ASN HA . 30123 1 9 . 1 1 3 3 ASN HB2 H 1 2.7370 0.02 . 2 . . . A 2 ASN HB2 . 30123 1 10 . 1 1 3 3 ASN HD21 H 1 6.9300 0.02 . 2 . . . A 2 ASN HD21 . 30123 1 11 . 1 1 3 3 ASN HD22 H 1 7.6140 0.02 . 2 . . . A 2 ASN HD22 . 30123 1 12 . 1 1 3 3 ASN CA C 13 53.1380 0.02 . 1 . . . A 2 ASN CA . 30123 1 13 . 1 1 3 3 ASN CB C 13 38.6800 0.02 . 1 . . . A 2 ASN CB . 30123 1 14 . 1 1 4 4 TRP H H 1 8.2540 0.02 . 1 . . . A 3 TRP H . 30123 1 15 . 1 1 4 4 TRP HA H 1 4.6990 0.02 . 1 . . . A 3 TRP HA . 30123 1 16 . 1 1 4 4 TRP HB2 H 1 3.2640 0.02 . 2 . . . A 3 TRP HB2 . 30123 1 17 . 1 1 4 4 TRP HB3 H 1 3.3330 0.02 . 2 . . . A 3 TRP HB3 . 30123 1 18 . 1 1 4 4 TRP HD1 H 1 7.2720 0.02 . 1 . . . A 3 TRP HD1 . 30123 1 19 . 1 1 4 4 TRP HE1 H 1 10.1580 0.02 . 1 . . . A 3 TRP HE1 . 30123 1 20 . 1 1 4 4 TRP HE3 H 1 7.5940 0.02 . 1 . . . A 3 TRP HE3 . 30123 1 21 . 1 1 4 4 TRP HZ2 H 1 7.4590 0.02 . 1 . . . A 3 TRP HZ2 . 30123 1 22 . 1 1 4 4 TRP HZ3 H 1 7.0920 0.02 . 1 . . . A 3 TRP HZ3 . 30123 1 23 . 1 1 4 4 TRP HH2 H 1 7.1920 0.02 . 1 . . . A 3 TRP HH2 . 30123 1 24 . 1 1 4 4 TRP CA C 13 57.8510 0.02 . 1 . . . A 3 TRP CA . 30123 1 25 . 1 1 4 4 TRP CB C 13 29.5230 0.02 . 1 . . . A 3 TRP CB . 30123 1 26 . 1 1 5 5 THR H H 1 8.0620 0.02 . 1 . . . A 4 THR H . 30123 1 27 . 1 1 5 5 THR HA H 1 4.1990 0.02 . 1 . . . A 4 THR HA . 30123 1 28 . 1 1 5 5 THR HB H 1 4.1860 0.02 . 1 . . . A 4 THR HB . 30123 1 29 . 1 1 5 5 THR HG21 H 1 1.1240 0.02 . 1 . . . A 4 THR HG1 . 30123 1 30 . 1 1 5 5 THR HG22 H 1 1.1240 0.02 . 1 . . . A 4 THR HG1 . 30123 1 31 . 1 1 5 5 THR HG23 H 1 1.1240 0.02 . 1 . . . A 4 THR HG1 . 30123 1 32 . 1 1 5 5 THR CA C 13 62.7400 0.02 . 1 . . . A 4 THR CA . 30123 1 33 . 1 1 5 5 THR CB C 13 69.7600 0.02 . 1 . . . A 4 THR CB . 30123 1 34 . 1 1 6 6 GLY H H 1 7.7600 0.02 . 1 . . . A 5 GLY H . 30123 1 35 . 1 1 6 6 GLY HA2 H 1 3.7690 0.02 . 2 . . . A 5 GLY HA2 . 30123 1 36 . 1 1 6 6 GLY CA C 13 45.6200 0.02 . 1 . . . A 5 GLY CA . 30123 1 37 . 1 1 7 7 LEU H H 1 7.9410 0.02 . 1 . . . A 6 LEU H . 30123 1 38 . 1 1 7 7 LEU HA H 1 4.2320 0.02 . 1 . . . A 6 LEU HA . 30123 1 39 . 1 1 7 7 LEU HB3 H 1 1.4940 0.02 . 2 . . . A 6 LEU HB3 . 30123 1 40 . 1 1 7 7 LEU HG H 1 1.4910 0.02 . 1 . . . A 6 LEU HG . 30123 1 41 . 1 1 7 7 LEU HD11 H 1 0.8250 0.02 . 2 . . . A 6 LEU HD11 . 30123 1 42 . 1 1 7 7 LEU HD12 H 1 0.8250 0.02 . 2 . . . A 6 LEU HD12 . 30123 1 43 . 1 1 7 7 LEU HD13 H 1 0.8250 0.02 . 2 . . . A 6 LEU HD13 . 30123 1 44 . 1 1 7 7 LEU HD21 H 1 0.8730 0.02 . 2 . . . A 6 LEU HD21 . 30123 1 45 . 1 1 7 7 LEU HD22 H 1 0.8730 0.02 . 2 . . . A 6 LEU HD22 . 30123 1 46 . 1 1 7 7 LEU HD23 H 1 0.8730 0.02 . 2 . . . A 6 LEU HD23 . 30123 1 47 . 1 1 7 7 LEU CA C 13 56.2710 0.02 . 1 . . . A 6 LEU CA . 30123 1 48 . 1 1 7 7 LEU CB C 13 42.1300 0.02 . 1 . . . A 6 LEU CB . 30123 1 49 . 1 1 8 8 TYR H H 1 8.2520 0.02 . 1 . . . A 7 TYR H . 30123 1 50 . 1 1 8 8 TYR HA H 1 4.5260 0.02 . 1 . . . A 7 TYR HA . 30123 1 51 . 1 1 8 8 TYR HB2 H 1 2.9460 0.02 . 2 . . . A 7 TYR HB2 . 30123 1 52 . 1 1 8 8 TYR HB3 H 1 3.0980 0.02 . 2 . . . A 7 TYR HB3 . 30123 1 53 . 1 1 8 8 TYR HD1 H 1 7.0760 0.02 . 3 . . . A 7 TYR HD1 . 30123 1 54 . 1 1 8 8 TYR HE1 H 1 6.7850 0.02 . 3 . . . A 7 TYR HE1 . 30123 1 55 . 1 1 8 8 TYR CA C 13 58.4700 0.02 . 1 . . . A 7 TYR CA . 30123 1 56 . 1 1 8 8 TYR CB C 13 38.4340 0.02 . 1 . . . A 7 TYR CB . 30123 1 57 . 1 1 9 9 THR H H 1 8.0210 0.02 . 1 . . . A 8 THR H . 30123 1 58 . 1 1 9 9 THR HA H 1 4.2040 0.02 . 1 . . . A 8 THR HA . 30123 1 59 . 1 1 9 9 THR HB H 1 4.2040 0.02 . 1 . . . A 8 THR HB . 30123 1 60 . 1 1 9 9 THR HG21 H 1 1.1870 0.02 . 1 . . . A 8 THR HG1 . 30123 1 61 . 1 1 9 9 THR HG22 H 1 1.1870 0.02 . 1 . . . A 8 THR HG1 . 30123 1 62 . 1 1 9 9 THR HG23 H 1 1.1870 0.02 . 1 . . . A 8 THR HG1 . 30123 1 63 . 1 1 9 9 THR CA C 13 62.7000 0.02 . 1 . . . A 8 THR CA . 30123 1 64 . 1 1 9 9 THR CB C 13 69.7190 0.02 . 1 . . . A 8 THR CB . 30123 1 65 . 1 1 10 10 LEU H H 1 8.1100 0.02 . 1 . . . A 9 LEU H . 30123 1 66 . 1 1 10 10 LEU HA H 1 4.2600 0.02 . 1 . . . A 9 LEU HA . 30123 1 67 . 1 1 10 10 LEU HB3 H 1 1.6470 0.02 . 2 . . . A 9 LEU HB3 . 30123 1 68 . 1 1 10 10 LEU HD11 H 1 0.9300 0.02 . 2 . . . A 9 LEU HD11 . 30123 1 69 . 1 1 10 10 LEU HD12 H 1 0.9300 0.02 . 2 . . . A 9 LEU HD12 . 30123 1 70 . 1 1 10 10 LEU HD13 H 1 0.9300 0.02 . 2 . . . A 9 LEU HD13 . 30123 1 71 . 1 1 10 10 LEU HD21 H 1 0.8800 0.02 . 2 . . . A 9 LEU HD21 . 30123 1 72 . 1 1 10 10 LEU HD22 H 1 0.8800 0.02 . 2 . . . A 9 LEU HD22 . 30123 1 73 . 1 1 10 10 LEU HD23 H 1 0.8800 0.02 . 2 . . . A 9 LEU HD23 . 30123 1 74 . 1 1 10 10 LEU CA C 13 56.1200 0.02 . 1 . . . A 9 LEU CA . 30123 1 75 . 1 1 10 10 LEU CB C 13 42.1150 0.02 . 1 . . . A 9 LEU CB . 30123 1 76 . 1 1 11 11 LEU H H 1 8.1960 0.02 . 1 . . . A 10 LEU H . 30123 1 77 . 1 1 11 11 LEU HA H 1 4.2770 0.02 . 1 . . . A 10 LEU HA . 30123 1 78 . 1 1 11 11 LEU HB2 H 1 1.5690 0.02 . 2 . . . A 10 LEU HB2 . 30123 1 79 . 1 1 11 11 LEU HG H 1 1.6760 0.02 . 1 . . . A 10 LEU HG . 30123 1 80 . 1 1 11 11 LEU HD11 H 1 0.9050 0.02 . 2 . . . A 10 LEU HD11 . 30123 1 81 . 1 1 11 11 LEU HD12 H 1 0.9050 0.02 . 2 . . . A 10 LEU HD12 . 30123 1 82 . 1 1 11 11 LEU HD13 H 1 0.9050 0.02 . 2 . . . A 10 LEU HD13 . 30123 1 83 . 1 1 11 11 LEU HD21 H 1 0.8500 0.02 . 2 . . . A 10 LEU HD21 . 30123 1 84 . 1 1 11 11 LEU HD22 H 1 0.8500 0.02 . 2 . . . A 10 LEU HD22 . 30123 1 85 . 1 1 11 11 LEU HD23 H 1 0.8500 0.02 . 2 . . . A 10 LEU HD23 . 30123 1 86 . 1 1 11 11 LEU CA C 13 56.2300 0.02 . 1 . . . A 10 LEU CA . 30123 1 87 . 1 1 11 11 LEU CB C 13 42.0850 0.02 . 1 . . . A 10 LEU CB . 30123 1 88 . 1 1 12 12 SER H H 1 8.1340 0.02 . 1 . . . A 11 SER H . 30123 1 89 . 1 1 12 12 SER HA H 1 4.3610 0.02 . 1 . . . A 11 SER HA . 30123 1 90 . 1 1 12 12 SER HB2 H 1 3.8370 0.02 . 2 . . . A 11 SER HB2 . 30123 1 91 . 1 1 12 12 SER HB3 H 1 3.9030 0.02 . 2 . . . A 11 SER HB3 . 30123 1 92 . 1 1 12 12 SER CA C 13 58.9170 0.02 . 1 . . . A 11 SER CA . 30123 1 93 . 1 1 12 12 SER CB C 13 63.8060 0.02 . 1 . . . A 11 SER CB . 30123 1 94 . 1 1 13 13 ARG H H 1 8.1960 0.02 . 1 . . . A 12 ARG H . 30123 1 95 . 1 1 13 13 ARG HA H 1 4.3320 0.02 . 1 . . . A 12 ARG HA . 30123 1 96 . 1 1 13 13 ARG HB2 H 1 1.8060 0.02 . 2 . . . A 12 ARG HB2 . 30123 1 97 . 1 1 13 13 ARG HB3 H 1 1.9130 0.02 . 2 . . . A 12 ARG HB3 . 30123 1 98 . 1 1 13 13 ARG HG2 H 1 1.6710 0.02 . 2 . . . A 12 ARG HG2 . 30123 1 99 . 1 1 13 13 ARG HD3 H 1 3.1740 0.02 . 2 . . . A 12 ARG HD3 . 30123 1 100 . 1 1 13 13 ARG HE H 1 7.2050 0.02 . 1 . . . A 12 ARG HE . 30123 1 101 . 1 1 13 13 ARG CA C 13 56.5780 0.02 . 1 . . . A 12 ARG CA . 30123 1 102 . 1 1 13 13 ARG CB C 13 30.6350 0.02 . 1 . . . A 12 ARG CB . 30123 1 103 . 1 1 14 14 VAL H H 1 8.0120 0.02 . 1 . . . A 13 VAL H . 30123 1 104 . 1 1 14 14 VAL HA H 1 4.0480 0.02 . 1 . . . A 13 VAL HA . 30123 1 105 . 1 1 14 14 VAL HB H 1 2.0550 0.02 . 1 . . . A 13 VAL HB . 30123 1 106 . 1 1 14 14 VAL HG11 H 1 0.9090 0.02 . 2 . . . A 13 VAL HG11 . 30123 1 107 . 1 1 14 14 VAL HG12 H 1 0.9090 0.02 . 2 . . . A 13 VAL HG12 . 30123 1 108 . 1 1 14 14 VAL HG13 H 1 0.9090 0.02 . 2 . . . A 13 VAL HG13 . 30123 1 109 . 1 1 14 14 VAL HG21 H 1 0.9390 0.02 . 2 . . . A 13 VAL HG21 . 30123 1 110 . 1 1 14 14 VAL HG22 H 1 0.9390 0.02 . 2 . . . A 13 VAL HG22 . 30123 1 111 . 1 1 14 14 VAL HG23 H 1 0.9390 0.02 . 2 . . . A 13 VAL HG23 . 30123 1 112 . 1 1 14 14 VAL CA C 13 62.8000 0.02 . 1 . . . A 13 VAL CA . 30123 1 113 . 1 1 14 14 VAL CB C 13 32.6530 0.02 . 1 . . . A 13 VAL CB . 30123 1 114 . 1 1 15 15 ASN H H 1 8.4870 0.02 . 1 . . . A 14 ASN H . 30123 1 115 . 1 1 15 15 ASN HA H 1 4.7120 0.02 . 1 . . . A 14 ASN HA . 30123 1 116 . 1 1 15 15 ASN HB2 H 1 2.7540 0.02 . 2 . . . A 14 ASN HB2 . 30123 1 117 . 1 1 15 15 ASN HB3 H 1 2.8410 0.02 . 2 . . . A 14 ASN HB3 . 30123 1 118 . 1 1 15 15 ASN HD21 H 1 6.9770 0.02 . 2 . . . A 14 ASN HD21 . 30123 1 119 . 1 1 15 15 ASN HD22 H 1 7.6480 0.02 . 2 . . . A 14 ASN HD22 . 30123 1 120 . 1 1 15 15 ASN CA C 13 53.1500 0.02 . 1 . . . A 14 ASN CA . 30123 1 121 . 1 1 15 15 ASN CB C 13 38.7620 0.02 . 1 . . . A 14 ASN CB . 30123 1 122 . 1 1 16 16 ARG H H 1 8.3330 0.02 . 1 . . . A 15 ARG H . 30123 1 123 . 1 1 16 16 ARG HA H 1 4.2810 0.02 . 1 . . . A 15 ARG HA . 30123 1 124 . 1 1 16 16 ARG HB2 H 1 1.7170 0.02 . 2 . . . A 15 ARG HB2 . 30123 1 125 . 1 1 16 16 ARG HB3 H 1 1.8120 0.02 . 2 . . . A 15 ARG HB3 . 30123 1 126 . 1 1 16 16 ARG HG2 H 1 1.5470 0.02 . 2 . . . A 15 ARG HG2 . 30123 1 127 . 1 1 16 16 ARG HD2 H 1 3.1570 0.02 . 2 . . . A 15 ARG HD2 . 30123 1 128 . 1 1 16 16 ARG CA C 13 56.3000 0.02 . 1 . . . A 15 ARG CA . 30123 1 129 . 1 1 16 16 ARG CB C 13 30.6620 0.02 . 1 . . . A 15 ARG CB . 30123 1 130 . 1 1 17 17 HIS H H 1 8.4610 0.02 . 1 . . . A 16 HIS H . 30123 1 131 . 1 1 17 17 HIS HA H 1 4.7140 0.02 . 1 . . . A 16 HIS HA . 30123 1 132 . 1 1 17 17 HIS HB2 H 1 3.1450 0.02 . 2 . . . A 16 HIS HB2 . 30123 1 133 . 1 1 17 17 HIS HB3 H 1 3.2270 0.02 . 2 . . . A 16 HIS HB3 . 30123 1 134 . 1 1 17 17 HIS HD1 H 1 7.1550 0.02 . 1 . . . A 16 HIS HD1 . 30123 1 135 . 1 1 17 17 HIS HE1 H 1 8.1650 0.02 . 1 . . . A 16 HIS HE1 . 30123 1 136 . 1 1 17 17 HIS CA C 13 56.3000 0.02 . 1 . . . A 16 HIS CA . 30123 1 137 . 1 1 17 17 HIS CB C 13 30.0540 0.02 . 1 . . . A 16 HIS CB . 30123 1 138 . 1 1 18 18 SER H H 1 8.3310 0.02 . 1 . . . A 17 SER H . 30123 1 139 . 1 1 18 18 SER HA H 1 4.5130 0.02 . 1 . . . A 17 SER HA . 30123 1 140 . 1 1 18 18 SER HB2 H 1 3.8590 0.02 . 2 . . . A 17 SER HB2 . 30123 1 141 . 1 1 18 18 SER HB3 H 1 3.9200 0.02 . 2 . . . A 17 SER HB3 . 30123 1 142 . 1 1 18 18 SER CA C 13 58.4000 0.02 . 1 . . . A 17 SER CA . 30123 1 143 . 1 1 18 18 SER CB C 13 63.8000 0.02 . 1 . . . A 17 SER CB . 30123 1 144 . 1 1 19 19 THR H H 1 8.3170 0.02 . 1 . . . A 18 THR H . 30123 1 145 . 1 1 19 19 THR HA H 1 4.3720 0.02 . 1 . . . A 18 THR HA . 30123 1 146 . 1 1 19 19 THR HB H 1 4.2910 0.02 . 1 . . . A 18 THR HB . 30123 1 147 . 1 1 19 19 THR HG21 H 1 1.2430 0.02 . 1 . . . A 18 THR HG1 . 30123 1 148 . 1 1 19 19 THR HG22 H 1 1.2430 0.02 . 1 . . . A 18 THR HG1 . 30123 1 149 . 1 1 19 19 THR HG23 H 1 1.2430 0.02 . 1 . . . A 18 THR HG1 . 30123 1 150 . 1 1 19 19 THR CA C 13 61.9170 0.02 . 1 . . . A 18 THR CA . 30123 1 151 . 1 1 19 19 THR CB C 13 69.7950 0.02 . 1 . . . A 18 THR CB . 30123 1 152 . 1 1 20 20 ALA H H 1 8.3410 0.02 . 1 . . . A 19 ALA H . 30123 1 153 . 1 1 20 20 ALA HA H 1 4.3680 0.02 . 1 . . . A 19 ALA HA . 30123 1 154 . 1 1 20 20 ALA HB1 H 1 1.3840 0.02 . 1 . . . A 19 ALA HB1 . 30123 1 155 . 1 1 20 20 ALA HB2 H 1 1.3840 0.02 . 1 . . . A 19 ALA HB2 . 30123 1 156 . 1 1 20 20 ALA HB3 H 1 1.3840 0.02 . 1 . . . A 19 ALA HB3 . 30123 1 157 . 1 1 20 20 ALA CA C 13 52.5490 0.02 . 1 . . . A 19 ALA CA . 30123 1 158 . 1 1 20 20 ALA CB C 13 19.2450 0.02 . 1 . . . A 19 ALA CB . 30123 1 159 . 1 1 21 21 ILE H H 1 8.1640 0.02 . 1 . . . A 20 ILE H . 30123 1 160 . 1 1 21 21 ILE HA H 1 4.1650 0.02 . 1 . . . A 20 ILE HA . 30123 1 161 . 1 1 21 21 ILE HB H 1 1.8810 0.02 . 1 . . . A 20 ILE HB . 30123 1 162 . 1 1 21 21 ILE HG12 H 1 1.2230 0.02 . 2 . . . A 20 ILE HG12 . 30123 1 163 . 1 1 21 21 ILE HG13 H 1 1.5030 0.02 . 2 . . . A 20 ILE HG13 . 30123 1 164 . 1 1 21 21 ILE HG21 H 1 0.9380 0.02 . 1 . . . A 20 ILE HG21 . 30123 1 165 . 1 1 21 21 ILE HG22 H 1 0.9380 0.02 . 1 . . . A 20 ILE HG22 . 30123 1 166 . 1 1 21 21 ILE HG23 H 1 0.9380 0.02 . 1 . . . A 20 ILE HG23 . 30123 1 167 . 1 1 21 21 ILE HD11 H 1 0.8810 0.02 . 1 . . . A 20 ILE HD11 . 30123 1 168 . 1 1 21 21 ILE HD12 H 1 0.8810 0.02 . 1 . . . A 20 ILE HD12 . 30123 1 169 . 1 1 21 21 ILE HD13 H 1 0.8810 0.02 . 1 . . . A 20 ILE HD13 . 30123 1 170 . 1 1 21 21 ILE CA C 13 61.3970 0.02 . 1 . . . A 20 ILE CA . 30123 1 171 . 1 1 21 21 ILE CB C 13 38.7150 0.02 . 1 . . . A 20 ILE CB . 30123 1 172 . 1 1 22 22 GLY H H 1 8.5330 0.02 . 1 . . . A 21 GLY H . 30123 1 173 . 1 1 22 22 GLY HA3 H 1 3.9540 0.02 . 2 . . . A 21 GLY HA3 . 30123 1 174 . 1 1 22 22 GLY CA C 13 45.3980 0.02 . 1 . . . A 21 GLY CA . 30123 1 175 . 1 1 23 23 ARG H H 1 7.8700 0.02 . 1 . . . A 22 ARG H . 30123 1 176 . 1 1 23 23 ARG HA H 1 4.2180 0.02 . 1 . . . A 22 ARG HA . 30123 1 177 . 1 1 23 23 ARG HB2 H 1 1.7250 0.02 . 2 . . . A 22 ARG HB2 . 30123 1 178 . 1 1 23 23 ARG HB3 H 1 1.8740 0.02 . 2 . . . A 22 ARG HB3 . 30123 1 179 . 1 1 23 23 ARG HG3 H 1 1.5880 0.02 . 2 . . . A 22 ARG HG3 . 30123 1 180 . 1 1 23 23 ARG HD3 H 1 3.1870 0.02 . 2 . . . A 22 ARG HD3 . 30123 1 181 . 1 1 23 23 ARG HE H 1 7.2080 0.02 . 1 . . . A 22 ARG HE . 30123 1 182 . 1 1 23 23 ARG CA C 13 57.2350 0.02 . 1 . . . A 22 ARG CA . 30123 1 183 . 1 1 23 23 ARG CB C 13 30.5400 0.02 . 1 . . . A 22 ARG CB . 30123 1 stop_ save_