################################### # 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 30120 _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' . . . 30120 1 2 '2D 1H-1H NOESY' . . . 30120 1 3 '2D 1H-13C HSQC' . . . 30120 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 8.3210 0.02 . 1 . . . A 1 MET H1 . 30120 1 2 . 1 1 2 2 MET HA H 1 4.3430 0.02 . 1 . . . A 1 MET HA . 30120 1 3 . 1 1 2 2 MET HB3 H 1 1.8310 0.02 . 2 . . . A 1 MET HB3 . 30120 1 4 . 1 1 2 2 MET HG3 H 1 2.4140 0.02 . 2 . . . A 1 MET HG3 . 30120 1 5 . 1 1 2 2 MET CA C 13 55.4530 0.02 . 1 . . . A 1 MET CA . 30120 1 6 . 1 1 2 2 MET CB C 13 33.0800 0.02 . 1 . . . A 1 MET CB . 30120 1 7 . 1 1 3 3 ASP H H 1 8.3770 0.02 . 1 . . . A 2 ASP H . 30120 1 8 . 1 1 3 3 ASP HA H 1 4.6440 0.02 . 1 . . . A 2 ASP HA . 30120 1 9 . 1 1 3 3 ASP HB2 H 1 2.6670 0.02 . 1 . . . A 2 ASP HB2 . 30120 1 10 . 1 1 3 3 ASP HB3 H 1 2.7040 0.02 . 1 . . . A 2 ASP HB3 . 30120 1 11 . 1 1 3 3 ASP CA C 13 53.7520 0.02 . 1 . . . A 2 ASP CA . 30120 1 12 . 1 1 3 3 ASP CB C 13 41.2400 0.02 . 1 . . . A 2 ASP CB . 30120 1 13 . 1 1 4 4 TRP H H 1 8.3990 0.02 . 1 . . . A 3 TRP H . 30120 1 14 . 1 1 4 4 TRP HA H 1 4.5260 0.02 . 1 . . . A 3 TRP HA . 30120 1 15 . 1 1 4 4 TRP HB2 H 1 3.3100 0.02 . 1 . . . A 3 TRP HB2 . 30120 1 16 . 1 1 4 4 TRP HB3 H 1 3.3550 0.02 . 1 . . . A 3 TRP HB3 . 30120 1 17 . 1 1 4 4 TRP HD1 H 1 7.2950 0.02 . 1 . . . A 3 TRP HD1 . 30120 1 18 . 1 1 4 4 TRP HE1 H 1 10.1590 0.02 . 1 . . . A 3 TRP HE1 . 30120 1 19 . 1 1 4 4 TRP HE3 H 1 7.6300 0.02 . 1 . . . A 3 TRP HE3 . 30120 1 20 . 1 1 4 4 TRP HZ2 H 1 7.4890 0.02 . 1 . . . A 3 TRP HZ2 . 30120 1 21 . 1 1 4 4 TRP HZ3 H 1 7.1500 0.02 . 1 . . . A 3 TRP HZ3 . 30120 1 22 . 1 1 4 4 TRP HH2 H 1 7.2300 0.02 . 1 . . . A 3 TRP HH2 . 30120 1 23 . 1 1 4 4 TRP CA C 13 58.5000 0.02 . 1 . . . A 3 TRP CA . 30120 1 24 . 1 1 4 4 TRP CB C 13 29.4610 0.02 . 1 . . . A 3 TRP CB . 30120 1 25 . 1 1 5 5 GLY H H 1 8.5580 0.02 . 1 . . . A 4 GLY H . 30120 1 26 . 1 1 5 5 GLY HA2 H 1 3.9290 0.02 . 1 . . . A 4 GLY HA2 . 30120 1 27 . 1 1 5 5 GLY HA3 H 1 3.8340 0.02 . 1 . . . A 4 GLY HA3 . 30120 1 28 . 1 1 5 5 GLY CA C 13 46.2270 0.02 . 1 . . . A 4 GLY CA . 30120 1 29 . 1 1 6 6 THR H H 1 8.0220 0.02 . 1 . . . A 5 THR H . 30120 1 30 . 1 1 6 6 THR HA H 1 4.2310 0.02 . 1 . . . A 5 THR HA . 30120 1 31 . 1 1 6 6 THR HB H 1 4.2030 0.02 . 1 . . . A 5 THR HB . 30120 1 32 . 1 1 6 6 THR HG21 H 1 1.2430 0.02 . 1 . . . A 5 THR HG1 . 30120 1 33 . 1 1 6 6 THR HG22 H 1 1.2430 0.02 . 1 . . . A 5 THR HG1 . 30120 1 34 . 1 1 6 6 THR HG23 H 1 1.2430 0.02 . 1 . . . A 5 THR HG1 . 30120 1 35 . 1 1 6 6 THR CA C 13 63.4780 0.02 . 1 . . . A 5 THR CA . 30120 1 36 . 1 1 6 6 THR CB C 13 69.2700 0.02 . 1 . . . A 5 THR CB . 30120 1 37 . 1 1 7 7 LEU H H 1 8.2160 0.02 . 1 . . . A 6 LEU H . 30120 1 38 . 1 1 7 7 LEU HA H 1 4.2420 0.02 . 1 . . . A 6 LEU HA . 30120 1 39 . 1 1 7 7 LEU HB2 H 1 1.6740 0.02 . 1 . . . A 6 LEU HB2 . 30120 1 40 . 1 1 7 7 LEU HB3 H 1 1.6240 0.02 . 1 . . . A 6 LEU HB3 . 30120 1 41 . 1 1 7 7 LEU HG H 1 1.6500 0.02 . 1 . . . A 6 LEU HG . 30120 1 42 . 1 1 7 7 LEU HD11 H 1 0.9120 0.02 . 2 . . . A 6 LEU HD11 . 30120 1 43 . 1 1 7 7 LEU HD12 H 1 0.9120 0.02 . 2 . . . A 6 LEU HD12 . 30120 1 44 . 1 1 7 7 LEU HD13 H 1 0.9120 0.02 . 2 . . . A 6 LEU HD13 . 30120 1 45 . 1 1 7 7 LEU HD21 H 1 0.8720 0.02 . 1 . . . A 6 LEU HD21 . 30120 1 46 . 1 1 7 7 LEU HD22 H 1 0.8720 0.02 . 1 . . . A 6 LEU HD22 . 30120 1 47 . 1 1 7 7 LEU HD23 H 1 0.8720 0.02 . 1 . . . A 6 LEU HD23 . 30120 1 48 . 1 1 7 7 LEU CA C 13 56.5200 0.02 . 1 . . . A 6 LEU CA . 30120 1 49 . 1 1 7 7 LEU CB C 13 41.9720 0.02 . 1 . . . A 6 LEU CB . 30120 1 50 . 1 1 8 8 GLN H H 1 8.2760 0.02 . 1 . . . A 7 GLN H . 30120 1 51 . 1 1 8 8 GLN HA H 1 4.1500 0.02 . 1 . . . A 7 GLN HA . 30120 1 52 . 1 1 8 8 GLN HB2 H 1 1.9400 0.02 . 1 . . . A 7 GLN HB2 . 30120 1 53 . 1 1 8 8 GLN HB3 H 1 2.0220 0.02 . 1 . . . A 7 GLN HB3 . 30120 1 54 . 1 1 8 8 GLN HG3 H 1 2.1640 0.02 . 1 . . . A 7 GLN HG3 . 30120 1 55 . 1 1 8 8 GLN HE21 H 1 6.8080 0.02 . 2 . . . A 7 GLN HE21 . 30120 1 56 . 1 1 8 8 GLN HE22 H 1 7.1480 0.02 . 2 . . . A 7 GLN HE22 . 30120 1 57 . 1 1 8 8 GLN CA C 13 56.8050 0.02 . 1 . . . A 7 GLN CA . 30120 1 58 . 1 1 8 8 GLN CB C 13 28.9120 0.02 . 1 . . . A 7 GLN CB . 30120 1 59 . 1 1 9 9 THR H H 1 8.0240 0.02 . 1 . . . A 8 THR H . 30120 1 60 . 1 1 9 9 THR HA H 1 4.2370 0.02 . 1 . . . A 8 THR HA . 30120 1 61 . 1 1 9 9 THR HB H 1 4.2530 0.02 . 1 . . . A 8 THR HB . 30120 1 62 . 1 1 9 9 THR HG21 H 1 1.2110 0.02 . 1 . . . A 8 THR HG1 . 30120 1 63 . 1 1 9 9 THR HG22 H 1 1.2110 0.02 . 1 . . . A 8 THR HG1 . 30120 1 64 . 1 1 9 9 THR HG23 H 1 1.2110 0.02 . 1 . . . A 8 THR HG1 . 30120 1 65 . 1 1 9 9 THR CA C 13 63.3600 0.02 . 1 . . . A 8 THR CA . 30120 1 66 . 1 1 9 9 THR CB C 13 69.4450 0.02 . 1 . . . A 8 THR CB . 30120 1 67 . 1 1 10 10 ILE H H 1 8.1040 0.02 . 1 . . . A 9 ILE H . 30120 1 68 . 1 1 10 10 ILE HA H 1 4.0420 0.02 . 1 . . . A 9 ILE HA . 30120 1 69 . 1 1 10 10 ILE HB H 1 1.9070 0.02 . 1 . . . A 9 ILE HB . 30120 1 70 . 1 1 10 10 ILE HG12 H 1 1.1890 0.02 . 1 . . . A 9 ILE HG12 . 30120 1 71 . 1 1 10 10 ILE HG13 H 1 1.5350 0.02 . 2 . . . A 9 ILE HG13 . 30120 1 72 . 1 1 10 10 ILE HG21 H 1 0.9060 0.02 . 1 . . . A 9 ILE HG21 . 30120 1 73 . 1 1 10 10 ILE HG22 H 1 0.9060 0.02 . 1 . . . A 9 ILE HG22 . 30120 1 74 . 1 1 10 10 ILE HG23 H 1 0.9060 0.02 . 1 . . . A 9 ILE HG23 . 30120 1 75 . 1 1 10 10 ILE HD11 H 1 0.8500 0.02 . 1 . . . A 9 ILE HD11 . 30120 1 76 . 1 1 10 10 ILE HD12 H 1 0.8500 0.02 . 1 . . . A 9 ILE HD12 . 30120 1 77 . 1 1 10 10 ILE HD13 H 1 0.8500 0.02 . 1 . . . A 9 ILE HD13 . 30120 1 78 . 1 1 10 10 ILE CA C 13 61.8840 0.02 . 1 . . . A 9 ILE CA . 30120 1 79 . 1 1 10 10 ILE CB C 13 38.6500 0.02 . 1 . . . A 9 ILE CB . 30120 1 80 . 1 1 11 11 LEU H H 1 8.3140 0.02 . 1 . . . A 10 LEU H . 30120 1 81 . 1 1 11 11 LEU HA H 1 4.2670 0.02 . 1 . . . A 10 LEU HA . 30120 1 82 . 1 1 11 11 LEU HB2 H 1 1.5620 0.02 . 1 . . . A 10 LEU HB2 . 30120 1 83 . 1 1 11 11 LEU HB3 H 1 1.6890 0.02 . 1 . . . A 10 LEU HB3 . 30120 1 84 . 1 1 11 11 LEU HG H 1 1.7480 0.02 . 1 . . . A 10 LEU HG . 30120 1 85 . 1 1 11 11 LEU HD11 H 1 0.9040 0.02 . 1 . . . A 10 LEU HD11 . 30120 1 86 . 1 1 11 11 LEU HD12 H 1 0.9040 0.02 . 1 . . . A 10 LEU HD12 . 30120 1 87 . 1 1 11 11 LEU HD13 H 1 0.9040 0.02 . 1 . . . A 10 LEU HD13 . 30120 1 88 . 1 1 11 11 LEU HD21 H 1 0.8700 0.02 . 1 . . . A 10 LEU HD21 . 30120 1 89 . 1 1 11 11 LEU HD22 H 1 0.8700 0.02 . 1 . . . A 10 LEU HD22 . 30120 1 90 . 1 1 11 11 LEU HD23 H 1 0.8700 0.02 . 1 . . . A 10 LEU HD23 . 30120 1 91 . 1 1 11 11 LEU CA C 13 56.0000 0.02 . 1 . . . A 10 LEU CA . 30120 1 92 . 1 1 11 11 LEU CB C 13 42.0030 0.02 . 1 . . . A 10 LEU CB . 30120 1 93 . 1 1 12 12 GLY H H 1 8.2500 0.02 . 1 . . . A 11 GLY H . 30120 1 94 . 1 1 12 12 GLY HA2 H 1 3.9420 0.02 . 1 . . . A 11 GLY HA2 . 30120 1 95 . 1 1 12 12 GLY CA C 13 45.3860 0.02 . 1 . . . A 11 GLY CA . 30120 1 96 . 1 1 13 13 ARG H H 1 7.9910 0.02 . 1 . . . A 12 ARG H . 30120 1 97 . 1 1 13 13 ARG HA H 1 4.3650 0.02 . 1 . . . A 12 ARG HA . 30120 1 98 . 1 1 13 13 ARG HB2 H 1 1.8880 0.02 . 1 . . . A 12 ARG HB2 . 30120 1 99 . 1 1 13 13 ARG HB3 H 1 1.7850 0.02 . 1 . . . A 12 ARG HB3 . 30120 1 100 . 1 1 13 13 ARG HG2 H 1 1.6160 0.02 . 1 . . . A 12 ARG HG2 . 30120 1 101 . 1 1 13 13 ARG HG3 H 1 1.6680 0.02 . 2 . . . A 12 ARG HG3 . 30120 1 102 . 1 1 13 13 ARG HD3 H 1 3.1890 0.02 . 1 . . . A 12 ARG HD3 . 30120 1 103 . 1 1 13 13 ARG CA C 13 56.3140 0.02 . 1 . . . A 12 ARG CA . 30120 1 104 . 1 1 13 13 ARG CB C 13 30.8470 0.02 . 1 . . . A 12 ARG CB . 30120 1 105 . 1 1 14 14 VAL H H 1 8.1630 0.02 . 1 . . . A 13 VAL H . 30120 1 106 . 1 1 14 14 VAL HA H 1 4.0850 0.02 . 1 . . . A 13 VAL HA . 30120 1 107 . 1 1 14 14 VAL HB H 1 2.0700 0.02 . 1 . . . A 13 VAL HB . 30120 1 108 . 1 1 14 14 VAL HG11 H 1 0.9210 0.02 . 1 . . . A 13 VAL HG11 . 30120 1 109 . 1 1 14 14 VAL HG12 H 1 0.9210 0.02 . 1 . . . A 13 VAL HG12 . 30120 1 110 . 1 1 14 14 VAL HG13 H 1 0.9210 0.02 . 1 . . . A 13 VAL HG13 . 30120 1 111 . 1 1 14 14 VAL HG21 H 1 0.9560 0.02 . 1 . . . A 13 VAL HG21 . 30120 1 112 . 1 1 14 14 VAL HG22 H 1 0.9560 0.02 . 1 . . . A 13 VAL HG22 . 30120 1 113 . 1 1 14 14 VAL HG23 H 1 0.9560 0.02 . 1 . . . A 13 VAL HG23 . 30120 1 114 . 1 1 14 14 VAL CA C 13 62.5430 0.02 . 1 . . . A 13 VAL CA . 30120 1 115 . 1 1 14 14 VAL CB C 13 32.7740 0.02 . 1 . . . A 13 VAL CB . 30120 1 116 . 1 1 15 15 ASN H H 1 8.5760 0.02 . 1 . . . A 14 ASN H . 30120 1 117 . 1 1 15 15 ASN HA H 1 4.7250 0.02 . 1 . . . A 14 ASN HA . 30120 1 118 . 1 1 15 15 ASN HB2 H 1 2.8180 0.02 . 1 . . . A 14 ASN HB2 . 30120 1 119 . 1 1 15 15 ASN HB3 H 1 2.7550 0.02 . 1 . . . A 14 ASN HB3 . 30120 1 120 . 1 1 15 15 ASN HD21 H 1 6.9920 0.02 . 2 . . . A 14 ASN HD21 . 30120 1 121 . 1 1 15 15 ASN HD22 H 1 7.6640 0.02 . 2 . . . A 14 ASN HD22 . 30120 1 122 . 1 1 15 15 ASN CA C 13 53.1540 0.02 . 1 . . . A 14 ASN CA . 30120 1 123 . 1 1 15 15 ASN CB C 13 38.9650 0.02 . 1 . . . A 14 ASN CB . 30120 1 124 . 1 1 16 16 LYS H H 1 8.3950 0.02 . 1 . . . A 15 LYS H . 30120 1 125 . 1 1 16 16 LYS HA H 1 4.2540 0.02 . 1 . . . A 15 LYS HA . 30120 1 126 . 1 1 16 16 LYS HB2 H 1 1.7690 0.02 . 1 . . . A 15 LYS HB2 . 30120 1 127 . 1 1 16 16 LYS HB3 H 1 1.6990 0.02 . 1 . . . A 15 LYS HB3 . 30120 1 128 . 1 1 16 16 LYS HG3 H 1 1.3360 0.02 . 2 . . . A 15 LYS HG3 . 30120 1 129 . 1 1 16 16 LYS HD3 H 1 1.6420 0.02 . 2 . . . A 15 LYS HD3 . 30120 1 130 . 1 1 16 16 LYS HE2 H 1 2.9720 0.02 . 2 . . . A 15 LYS HE2 . 30120 1 131 . 1 1 16 16 LYS CA C 13 56.5760 0.02 . 1 . . . A 15 LYS CA . 30120 1 132 . 1 1 16 16 LYS CB C 13 32.8370 0.02 . 1 . . . A 15 LYS CB . 30120 1 133 . 1 1 17 17 HIS H H 1 8.3810 0.02 . 1 . . . A 16 HIS H . 30120 1 134 . 1 1 17 17 HIS HA H 1 4.6690 0.02 . 1 . . . A 16 HIS HA . 30120 1 135 . 1 1 17 17 HIS HB2 H 1 3.0990 0.02 . 1 . . . A 16 HIS HB2 . 30120 1 136 . 1 1 17 17 HIS HB3 H 1 3.1760 0.02 . 1 . . . A 16 HIS HB3 . 30120 1 137 . 1 1 17 17 HIS HD1 H 1 7.0510 0.02 . 1 . . . A 16 HIS HD1 . 30120 1 138 . 1 1 17 17 HIS HD2 H 1 7.0500 0.02 . 1 . . . A 16 HIS HD2 . 30120 1 139 . 1 1 17 17 HIS HE1 H 1 7.8990 0.02 . 1 . . . A 16 HIS HE1 . 30120 1 140 . 1 1 17 17 HIS HE2 H 1 7.8980 0.02 . 1 . . . A 16 HIS HE2 . 30120 1 141 . 1 1 17 17 HIS CA C 13 56.2750 0.02 . 1 . . . A 16 HIS CA . 30120 1 142 . 1 1 17 17 HIS CB C 13 30.7980 0.02 . 1 . . . A 16 HIS CB . 30120 1 143 . 1 1 18 18 SER H H 1 8.2990 0.02 . 1 . . . A 17 SER H . 30120 1 144 . 1 1 18 18 SER HA H 1 4.5090 0.02 . 1 . . . A 17 SER HA . 30120 1 145 . 1 1 18 18 SER HB3 H 1 3.9190 0.02 . 1 . . . A 17 SER HB3 . 30120 1 146 . 1 1 18 18 SER CA C 13 58.4810 0.02 . 1 . . . A 17 SER CA . 30120 1 147 . 1 1 18 18 SER CB C 13 63.8310 0.02 . 1 . . . A 17 SER CB . 30120 1 148 . 1 1 19 19 THR H H 1 8.3410 0.02 . 1 . . . A 18 THR H . 30120 1 149 . 1 1 19 19 THR HA H 1 4.4330 0.02 . 1 . . . A 18 THR HA . 30120 1 150 . 1 1 19 19 THR HB H 1 4.3170 0.02 . 1 . . . A 18 THR HB . 30120 1 151 . 1 1 19 19 THR HG21 H 1 1.2440 0.02 . 1 . . . A 18 THR HG1 . 30120 1 152 . 1 1 19 19 THR HG22 H 1 1.2440 0.02 . 1 . . . A 18 THR HG1 . 30120 1 153 . 1 1 19 19 THR HG23 H 1 1.2440 0.02 . 1 . . . A 18 THR HG1 . 30120 1 154 . 1 1 19 19 THR CA C 13 61.9350 0.02 . 1 . . . A 18 THR CA . 30120 1 155 . 1 1 19 19 THR CB C 13 69.8000 0.02 . 1 . . . A 18 THR CB . 30120 1 156 . 1 1 20 20 SER H H 1 8.3910 0.02 . 1 . . . A 19 SER H . 30120 1 157 . 1 1 20 20 SER HA H 1 4.5300 0.02 . 1 . . . A 19 SER HA . 30120 1 158 . 1 1 20 20 SER HB2 H 1 3.8720 0.02 . 1 . . . A 19 SER HB2 . 30120 1 159 . 1 1 20 20 SER CA C 13 58.5000 0.02 . 1 . . . A 19 SER CA . 30120 1 160 . 1 1 20 20 SER CB C 13 63.8570 0.02 . 1 . . . A 19 SER CB . 30120 1 161 . 1 1 21 21 ILE H H 1 8.2170 0.02 . 1 . . . A 20 ILE H . 30120 1 162 . 1 1 21 21 ILE HA H 1 4.2240 0.02 . 1 . . . A 20 ILE HA . 30120 1 163 . 1 1 21 21 ILE HB H 1 1.9090 0.02 . 1 . . . A 20 ILE HB . 30120 1 164 . 1 1 21 21 ILE HG12 H 1 1.4950 0.02 . 2 . . . A 20 ILE HG12 . 30120 1 165 . 1 1 21 21 ILE HG13 H 1 1.2120 0.02 . 1 . . . A 20 ILE HG13 . 30120 1 166 . 1 1 21 21 ILE HG21 H 1 0.9380 0.02 . 1 . . . A 20 ILE HG21 . 30120 1 167 . 1 1 21 21 ILE HG22 H 1 0.9380 0.02 . 1 . . . A 20 ILE HG22 . 30120 1 168 . 1 1 21 21 ILE HG23 H 1 0.9380 0.02 . 1 . . . A 20 ILE HG23 . 30120 1 169 . 1 1 21 21 ILE HD11 H 1 0.8830 0.02 . 1 . . . A 20 ILE HD11 . 30120 1 170 . 1 1 21 21 ILE HD12 H 1 0.8830 0.02 . 1 . . . A 20 ILE HD12 . 30120 1 171 . 1 1 21 21 ILE HD13 H 1 0.8830 0.02 . 1 . . . A 20 ILE HD13 . 30120 1 172 . 1 1 21 21 ILE CA C 13 61.5510 0.02 . 1 . . . A 20 ILE CA . 30120 1 173 . 1 1 21 21 ILE CB C 13 38.6000 0.02 . 1 . . . A 20 ILE CB . 30120 1 174 . 1 1 22 22 GLY H H 1 8.5490 0.02 . 1 . . . A 21 GLY H . 30120 1 175 . 1 1 22 22 GLY HA3 H 1 3.9530 0.02 . 1 . . . A 21 GLY HA3 . 30120 1 176 . 1 1 22 22 GLY CA C 13 45.3800 0.02 . 1 . . . A 21 GLY CA . 30120 1 177 . 1 1 23 23 LYS H H 1 7.8730 0.02 . 1 . . . A 22 LYS H . 30120 1 178 . 1 1 23 23 LYS HA H 1 4.2040 0.02 . 1 . . . A 22 LYS HA . 30120 1 179 . 1 1 23 23 LYS HB2 H 1 1.7230 0.02 . 1 . . . A 22 LYS HB2 . 30120 1 180 . 1 1 23 23 LYS HB3 H 1 1.8460 0.02 . 1 . . . A 22 LYS HB3 . 30120 1 181 . 1 1 23 23 LYS HG3 H 1 1.3870 0.02 . 1 . . . A 22 LYS HG3 . 30120 1 182 . 1 1 23 23 LYS HD2 H 1 1.6800 0.02 . 2 . . . A 22 LYS HD2 . 30120 1 183 . 1 1 23 23 LYS HE3 H 1 3.0020 0.02 . 1 . . . A 22 LYS HE3 . 30120 1 184 . 1 1 23 23 LYS CA C 13 57.5130 0.02 . 1 . . . A 22 LYS CA . 30120 1 185 . 1 1 23 23 LYS CB C 13 33.0860 0.02 . 1 . . . A 22 LYS CB . 30120 1 stop_ save_