################################### # 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 19275 _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-13C HSQC' . . . 19275 1 2 '2D DQF-COSY' . . . 19275 1 3 '2D 1H-1H TOCSY' . . . 19275 1 4 '2D 1H-1H NOESY' . . . 19275 1 5 '2D 1H-13C HSQC' . . . 19275 1 6 '2D 1H-1H TOCSY' . . . 19275 1 7 '2D DQF-COSY' . . . 19275 1 8 '2D 1H-1H NOESY' . . . 19275 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 ALA HA H 1 4.0600 0.02 . 1 . . . A 1 ALA HA . 19275 1 2 . 1 1 1 1 ALA HB1 H 1 1.4840 0.02 . 1 . . . A 1 ALA HB1 . 19275 1 3 . 1 1 1 1 ALA HB2 H 1 1.4840 0.02 . 1 . . . A 1 ALA HB2 . 19275 1 4 . 1 1 1 1 ALA HB3 H 1 1.4840 0.02 . 1 . . . A 1 ALA HB3 . 19275 1 5 . 1 1 1 1 ALA CA C 13 51.5700 0.3 . 1 . . . A 1 ALA CA . 19275 1 6 . 1 1 1 1 ALA CB C 13 19.1900 0.3 . 1 . . . A 1 ALA CB . 19275 1 7 . 1 1 2 2 ASP H H 1 8.6560 0.02 . 1 . . . A 2 ASP H . 19275 1 8 . 1 1 2 2 ASP HA H 1 4.6530 0.02 . 1 . . . A 2 ASP HA . 19275 1 9 . 1 1 2 2 ASP HB2 H 1 2.7100 0.02 . 2 . . . A 2 ASP HB2 . 19275 1 10 . 1 1 2 2 ASP HB3 H 1 2.5970 0.02 . 2 . . . A 2 ASP HB3 . 19275 1 11 . 1 1 2 2 ASP CA C 13 54.2780 0.3 . 1 . . . A 2 ASP CA . 19275 1 12 . 1 1 2 2 ASP CB C 13 41.6370 0.3 . 1 . . . A 2 ASP CB . 19275 1 13 . 1 1 3 3 ARG H H 1 8.5400 0.02 . 1 . . . A 3 ARG H . 19275 1 14 . 1 1 3 3 ARG HA H 1 4.2460 0.02 . 1 . . . A 3 ARG HA . 19275 1 15 . 1 1 3 3 ARG HB2 H 1 1.7000 0.02 . 2 . . . A 3 ARG HB2 . 19275 1 16 . 1 1 3 3 ARG HB3 H 1 1.7830 0.02 . 2 . . . A 3 ARG HB3 . 19275 1 17 . 1 1 3 3 ARG HG2 H 1 1.5970 0.02 . 2 . . . A 3 ARG HG2 . 19275 1 18 . 1 1 3 3 ARG HG3 H 1 1.5970 0.02 . 2 . . . A 3 ARG HG3 . 19275 1 19 . 1 1 3 3 ARG HD2 H 1 3.1520 0.02 . 2 . . . A 3 ARG HD2 . 19275 1 20 . 1 1 3 3 ARG HD3 H 1 3.1520 0.02 . 2 . . . A 3 ARG HD3 . 19275 1 21 . 1 1 3 3 ARG CA C 13 56.3000 0.3 . 1 . . . A 3 ARG CA . 19275 1 22 . 1 1 3 3 ARG CB C 13 30.4870 0.3 . 1 . . . A 3 ARG CB . 19275 1 23 . 1 1 3 3 ARG CG C 13 26.9880 0.3 . 1 . . . A 3 ARG CG . 19275 1 24 . 1 1 3 3 ARG CD C 13 43.3000 0.3 . 1 . . . A 3 ARG CD . 19275 1 25 . 1 1 4 4 GLY H H 1 8.5040 0.02 . 1 . . . A 4 GLY H . 19275 1 26 . 1 1 4 4 GLY HA2 H 1 3.9080 0.02 . 2 . . . A 4 GLY HA2 . 19275 1 27 . 1 1 4 4 GLY HA3 H 1 3.9080 0.02 . 2 . . . A 4 GLY HA3 . 19275 1 28 . 1 1 4 4 GLY CA C 13 45.3730 0.3 . 1 . . . A 4 GLY CA . 19275 1 29 . 1 1 5 5 TRP H H 1 7.9430 0.02 . 1 . . . A 5 TRP H . 19275 1 30 . 1 1 5 5 TRP HA H 1 4.6570 0.02 . 1 . . . A 5 TRP HA . 19275 1 31 . 1 1 5 5 TRP HB2 H 1 3.2800 0.02 . 2 . . . A 5 TRP HB2 . 19275 1 32 . 1 1 5 5 TRP HB3 H 1 3.2460 0.02 . 2 . . . A 5 TRP HB3 . 19275 1 33 . 1 1 5 5 TRP HD1 H 1 7.2340 0.02 . 1 . . . A 5 TRP HD1 . 19275 1 34 . 1 1 5 5 TRP HE1 H 1 10.2030 0.02 . 1 . . . A 5 TRP HE1 . 19275 1 35 . 1 1 5 5 TRP HE3 H 1 7.6080 0.02 . 1 . . . A 5 TRP HE3 . 19275 1 36 . 1 1 5 5 TRP HZ2 H 1 7.5150 0.02 . 1 . . . A 5 TRP HZ2 . 19275 1 37 . 1 1 5 5 TRP HZ3 H 1 7.1510 0.02 . 1 . . . A 5 TRP HZ3 . 19275 1 38 . 1 1 5 5 TRP HH2 H 1 7.2360 0.02 . 1 . . . A 5 TRP HH2 . 19275 1 39 . 1 1 5 5 TRP CA C 13 57.2000 0.3 . 1 . . . A 5 TRP CA . 19275 1 40 . 1 1 5 5 TRP CB C 13 29.6180 0.3 . 1 . . . A 5 TRP CB . 19275 1 41 . 1 1 5 5 TRP CD1 C 13 127.0200 0.3 . 1 . . . A 5 TRP CD1 . 19275 1 42 . 1 1 5 5 TRP CE3 C 13 121.0200 0.3 . 1 . . . A 5 TRP CE3 . 19275 1 43 . 1 1 5 5 TRP CZ2 C 13 114.5800 0.3 . 1 . . . A 5 TRP CZ2 . 19275 1 44 . 1 1 5 5 TRP CZ3 C 13 122.1200 0.3 . 1 . . . A 5 TRP CZ3 . 19275 1 45 . 1 1 5 5 TRP CH2 C 13 124.6900 0.3 . 1 . . . A 5 TRP CH2 . 19275 1 46 . 1 1 6 6 ILE H H 1 7.9960 0.02 . 1 . . . A 6 ILE H . 19275 1 47 . 1 1 6 6 ILE HA H 1 4.0090 0.02 . 1 . . . A 6 ILE HA . 19275 1 48 . 1 1 6 6 ILE HB H 1 1.6980 0.02 . 1 . . . A 6 ILE HB . 19275 1 49 . 1 1 6 6 ILE HG12 H 1 1.3410 0.02 . 2 . . . A 6 ILE HG12 . 19275 1 50 . 1 1 6 6 ILE HG13 H 1 0.9990 0.02 . 2 . . . A 6 ILE HG13 . 19275 1 51 . 1 1 6 6 ILE HG21 H 1 0.8090 0.02 . 1 . . . A 6 ILE HG21 . 19275 1 52 . 1 1 6 6 ILE HG22 H 1 0.8090 0.02 . 1 . . . A 6 ILE HG22 . 19275 1 53 . 1 1 6 6 ILE HG23 H 1 0.8090 0.02 . 1 . . . A 6 ILE HG23 . 19275 1 54 . 1 1 6 6 ILE HD11 H 1 0.7860 0.02 . 1 . . . A 6 ILE HD11 . 19275 1 55 . 1 1 6 6 ILE HD12 H 1 0.7860 0.02 . 1 . . . A 6 ILE HD12 . 19275 1 56 . 1 1 6 6 ILE HD13 H 1 0.7860 0.02 . 1 . . . A 6 ILE HD13 . 19275 1 57 . 1 1 6 6 ILE CA C 13 60.5680 0.3 . 1 . . . A 6 ILE CA . 19275 1 58 . 1 1 6 6 ILE CB C 13 39.2790 0.3 . 1 . . . A 6 ILE CB . 19275 1 59 . 1 1 6 6 ILE CG1 C 13 26.9600 0.3 . 1 . . . A 6 ILE CG1 . 19275 1 60 . 1 1 6 6 ILE CG2 C 13 17.4700 0.3 . 1 . . . A 6 ILE CG2 . 19275 1 61 . 1 1 6 6 ILE CD1 C 13 12.8350 0.3 . 1 . . . A 6 ILE CD1 . 19275 1 62 . 1 1 7 7 LYS H H 1 8.2160 0.02 . 1 . . . A 7 LYS H . 19275 1 63 . 1 1 7 7 LYS HA H 1 4.3010 0.02 . 1 . . . A 7 LYS HA . 19275 1 64 . 1 1 7 7 LYS HB2 H 1 1.7470 0.02 . 2 . . . A 7 LYS HB2 . 19275 1 65 . 1 1 7 7 LYS HB3 H 1 1.7470 0.02 . 2 . . . A 7 LYS HB3 . 19275 1 66 . 1 1 7 7 LYS HG2 H 1 1.3910 0.02 . 2 . . . A 7 LYS HG2 . 19275 1 67 . 1 1 7 7 LYS HG3 H 1 1.4690 0.02 . 2 . . . A 7 LYS HG3 . 19275 1 68 . 1 1 7 7 LYS HD2 H 1 1.6630 0.02 . 2 . . . A 7 LYS HD2 . 19275 1 69 . 1 1 7 7 LYS HD3 H 1 1.6850 0.02 . 2 . . . A 7 LYS HD3 . 19275 1 70 . 1 1 7 7 LYS HE2 H 1 2.9670 0.02 . 2 . . . A 7 LYS HE2 . 19275 1 71 . 1 1 7 7 LYS HE3 H 1 2.9670 0.02 . 2 . . . A 7 LYS HE3 . 19275 1 72 . 1 1 7 7 LYS CA C 13 56.6170 0.3 . 1 . . . A 7 LYS CA . 19275 1 73 . 1 1 7 7 LYS CB C 13 33.1190 0.3 . 1 . . . A 7 LYS CB . 19275 1 74 . 1 1 7 7 LYS CG C 13 24.9550 0.3 . 1 . . . A 7 LYS CG . 19275 1 75 . 1 1 7 7 LYS CD C 13 29.0750 0.3 . 1 . . . A 7 LYS CD . 19275 1 76 . 1 1 7 7 LYS CE C 13 41.8100 0.3 . 1 . . . A 7 LYS CE . 19275 1 77 . 1 1 8 8 DBB CA C 13 61.5570 0.3 . 1 . . . A 8 DBB CA . 19275 1 78 . 1 1 8 8 DBB CB C 13 45.6500 0.3 . 1 . . . A 8 DBB CB . 19275 1 79 . 1 1 8 8 DBB CG C 13 22.2600 0.3 . 1 . . . A 8 DBB CG . 19275 1 80 . 1 1 8 8 DBB H H 1 8.5580 0.02 . 1 . . . A 8 DBB H . 19275 1 81 . 1 1 8 8 DBB HA H 1 4.5580 0.02 . 1 . . . A 8 DBB HA . 19275 1 82 . 1 1 8 8 DBB HB3 H 1 3.6890 0.02 . 1 . . . A 8 DBB HB3 . 19275 1 83 . 1 1 8 8 DBB HG2 H 1 1.3180 0.02 . 1 . . . A 8 DBB HG21 . 19275 1 84 . 1 1 9 9 LEU H H 1 8.0430 0.02 . 1 . . . A 9 LEU H . 19275 1 85 . 1 1 9 9 LEU HA H 1 4.7210 0.02 . 1 . . . A 9 LEU HA . 19275 1 86 . 1 1 9 9 LEU HB2 H 1 1.5230 0.02 . 2 . . . A 9 LEU HB2 . 19275 1 87 . 1 1 9 9 LEU HB3 H 1 1.6580 0.02 . 2 . . . A 9 LEU HB3 . 19275 1 88 . 1 1 9 9 LEU HG H 1 1.4800 0.02 . 1 . . . A 9 LEU HG . 19275 1 89 . 1 1 9 9 LEU HD11 H 1 0.8830 0.02 . 2 . . . A 9 LEU HD11 . 19275 1 90 . 1 1 9 9 LEU HD12 H 1 0.8830 0.02 . 2 . . . A 9 LEU HD12 . 19275 1 91 . 1 1 9 9 LEU HD13 H 1 0.8830 0.02 . 2 . . . A 9 LEU HD13 . 19275 1 92 . 1 1 9 9 LEU HD21 H 1 0.8540 0.02 . 2 . . . A 9 LEU HD21 . 19275 1 93 . 1 1 9 9 LEU HD22 H 1 0.8540 0.02 . 2 . . . A 9 LEU HD22 . 19275 1 94 . 1 1 9 9 LEU HD23 H 1 0.8540 0.02 . 2 . . . A 9 LEU HD23 . 19275 1 95 . 1 1 9 9 LEU CA C 13 54.3100 0.3 . 1 . . . A 9 LEU CA . 19275 1 96 . 1 1 9 9 LEU CB C 13 44.0000 0.3 . 1 . . . A 9 LEU CB . 19275 1 97 . 1 1 9 9 LEU CG C 13 27.3500 0.3 . 1 . . . A 9 LEU CG . 19275 1 98 . 1 1 9 9 LEU CD1 C 13 24.9500 0.3 . 2 . . . A 9 LEU CD1 . 19275 1 99 . 1 1 9 9 LEU CD2 C 13 24.4200 0.3 . 2 . . . A 9 LEU CD2 . 19275 1 100 . 1 1 10 10 DBB CA C 13 59.7100 0.3 . 1 . . . A 10 DBB CA . 19275 1 101 . 1 1 10 10 DBB CB C 13 44.1600 0.3 . 1 . . . A 10 DBB CB . 19275 1 102 . 1 1 10 10 DBB CG C 13 20.9400 0.3 . 1 . . . A 10 DBB CG . 19275 1 103 . 1 1 10 10 DBB H H 1 8.3940 0.02 . 1 . . . A 10 DBB H . 19275 1 104 . 1 1 10 10 DBB HA H 1 4.4930 0.02 . 1 . . . A 10 DBB HA . 19275 1 105 . 1 1 10 10 DBB HB3 H 1 3.2700 0.02 . 1 . . . A 10 DBB HB3 . 19275 1 106 . 1 1 10 10 DBB HG2 H 1 1.2600 0.02 . 1 . . . A 10 DBB HG21 . 19275 1 107 . 1 1 11 11 LYS H H 1 8.7320 0.02 . 1 . . . A 11 LYS H . 19275 1 108 . 1 1 11 11 LYS HA H 1 4.0100 0.02 . 1 . . . A 11 LYS HA . 19275 1 109 . 1 1 11 11 LYS HB2 H 1 1.7670 0.02 . 2 . . . A 11 LYS HB2 . 19275 1 110 . 1 1 11 11 LYS HB3 H 1 1.7670 0.02 . 2 . . . A 11 LYS HB3 . 19275 1 111 . 1 1 11 11 LYS HG2 H 1 1.4440 0.02 . 2 . . . A 11 LYS HG2 . 19275 1 112 . 1 1 11 11 LYS HG3 H 1 1.4400 0.02 . 2 . . . A 11 LYS HG3 . 19275 1 113 . 1 1 11 11 LYS HD2 H 1 1.6700 0.02 . 2 . . . A 11 LYS HD2 . 19275 1 114 . 1 1 11 11 LYS HD3 H 1 1.6700 0.02 . 2 . . . A 11 LYS HD3 . 19275 1 115 . 1 1 11 11 LYS HE2 H 1 2.9680 0.02 . 2 . . . A 11 LYS HE2 . 19275 1 116 . 1 1 11 11 LYS HE3 H 1 2.9680 0.02 . 2 . . . A 11 LYS HE3 . 19275 1 117 . 1 1 11 11 LYS CA C 13 58.0300 0.3 . 1 . . . A 11 LYS CA . 19275 1 118 . 1 1 11 11 LYS CB C 13 32.3000 0.3 . 1 . . . A 11 LYS CB . 19275 1 119 . 1 1 11 11 LYS CG C 13 24.8400 0.3 . 1 . . . A 11 LYS CG . 19275 1 120 . 1 1 11 11 LYS CD C 13 28.9600 0.3 . 1 . . . A 11 LYS CD . 19275 1 121 . 1 1 11 11 LYS CE C 13 41.9000 0.3 . 1 . . . A 11 LYS CE . 19275 1 122 . 1 1 12 12 ASP H H 1 8.4620 0.02 . 1 . . . A 12 ASP H . 19275 1 123 . 1 1 12 12 ASP HA H 1 4.5200 0.02 . 1 . . . A 12 ASP HA . 19275 1 124 . 1 1 12 12 ASP HB2 H 1 2.8040 0.02 . 2 . . . A 12 ASP HB2 . 19275 1 125 . 1 1 12 12 ASP HB3 H 1 2.8810 0.02 . 2 . . . A 12 ASP HB3 . 19275 1 126 . 1 1 12 12 ASP CA C 13 55.6900 0.3 . 1 . . . A 12 ASP CA . 19275 1 127 . 1 1 12 12 ASP CB C 13 38.4000 0.3 . 1 . . . A 12 ASP CB . 19275 1 128 . 1 1 13 13 CYS H H 1 7.3790 0.02 . 1 . . . A 13 CYS H . 19275 1 129 . 1 1 13 13 CYS HA H 1 4.8880 0.02 . 1 . . . A 13 CYS HA . 19275 1 130 . 1 1 13 13 CYS HB2 H 1 2.9820 0.02 . 2 . . . A 13 CYS HB2 . 19275 1 131 . 1 1 13 13 CYS HB3 H 1 2.8730 0.02 . 2 . . . A 13 CYS HB3 . 19275 1 132 . 1 1 13 13 CYS CA C 13 54.2100 0.3 . 1 . . . A 13 CYS CA . 19275 1 133 . 1 1 13 13 CYS CB C 13 38.0390 0.3 . 1 . . . A 13 CYS CB . 19275 1 134 . 1 1 14 14 PRO HA H 1 4.3760 0.02 . 1 . . . A 14 PRO HA . 19275 1 135 . 1 1 14 14 PRO HB2 H 1 1.9380 0.02 . 2 . . . A 14 PRO HB2 . 19275 1 136 . 1 1 14 14 PRO HB3 H 1 2.2300 0.02 . 2 . . . A 14 PRO HB3 . 19275 1 137 . 1 1 14 14 PRO HG2 H 1 1.9650 0.02 . 2 . . . A 14 PRO HG2 . 19275 1 138 . 1 1 14 14 PRO HG3 H 1 2.0030 0.02 . 2 . . . A 14 PRO HG3 . 19275 1 139 . 1 1 14 14 PRO HD2 H 1 3.6230 0.02 . 2 . . . A 14 PRO HD2 . 19275 1 140 . 1 1 14 14 PRO HD3 H 1 3.5540 0.02 . 2 . . . A 14 PRO HD3 . 19275 1 141 . 1 1 14 14 PRO CA C 13 64.0550 0.3 . 1 . . . A 14 PRO CA . 19275 1 142 . 1 1 14 14 PRO CB C 13 32.1420 0.3 . 1 . . . A 14 PRO CB . 19275 1 143 . 1 1 14 14 PRO CG C 13 27.2380 0.3 . 1 . . . A 14 PRO CG . 19275 1 144 . 1 1 14 14 PRO CD C 13 50.3790 0.3 . 1 . . . A 14 PRO CD . 19275 1 145 . 1 1 15 15 ASN H H 1 8.5740 0.02 . 1 . . . A 15 ASN H . 19275 1 146 . 1 1 15 15 ASN HA H 1 4.6850 0.02 . 1 . . . A 15 ASN HA . 19275 1 147 . 1 1 15 15 ASN HB2 H 1 2.8720 0.02 . 2 . . . A 15 ASN HB2 . 19275 1 148 . 1 1 15 15 ASN HB3 H 1 2.7820 0.02 . 2 . . . A 15 ASN HB3 . 19275 1 149 . 1 1 15 15 ASN HD21 H 1 6.9650 0.02 . 2 . . . A 15 ASN HD21 . 19275 1 150 . 1 1 15 15 ASN HD22 H 1 7.6250 0.02 . 2 . . . A 15 ASN HD22 . 19275 1 151 . 1 1 15 15 ASN CA C 13 53.6450 0.3 . 1 . . . A 15 ASN CA . 19275 1 152 . 1 1 15 15 ASN CB C 13 38.6320 0.3 . 1 . . . A 15 ASN CB . 19275 1 153 . 1 1 16 16 VAL H H 1 7.7630 0.02 . 1 . . . A 16 VAL H . 19275 1 154 . 1 1 16 16 VAL HA H 1 4.1360 0.02 . 1 . . . A 16 VAL HA . 19275 1 155 . 1 1 16 16 VAL HB H 1 2.1570 0.02 . 1 . . . A 16 VAL HB . 19275 1 156 . 1 1 16 16 VAL HG11 H 1 0.9510 0.02 . 2 . . . A 16 VAL HG11 . 19275 1 157 . 1 1 16 16 VAL HG12 H 1 0.9510 0.02 . 2 . . . A 16 VAL HG12 . 19275 1 158 . 1 1 16 16 VAL HG13 H 1 0.9510 0.02 . 2 . . . A 16 VAL HG13 . 19275 1 159 . 1 1 16 16 VAL HG21 H 1 0.9510 0.02 . 2 . . . A 16 VAL HG21 . 19275 1 160 . 1 1 16 16 VAL HG22 H 1 0.9510 0.02 . 2 . . . A 16 VAL HG22 . 19275 1 161 . 1 1 16 16 VAL HG23 H 1 0.9510 0.02 . 2 . . . A 16 VAL HG23 . 19275 1 162 . 1 1 16 16 VAL CA C 13 62.6690 0.3 . 1 . . . A 16 VAL CA . 19275 1 163 . 1 1 16 16 VAL CB C 13 32.5550 0.3 . 1 . . . A 16 VAL CB . 19275 1 164 . 1 1 16 16 VAL CG1 C 13 21.1150 0.3 . 2 . . . A 16 VAL CG1 . 19275 1 165 . 1 1 16 16 VAL CG2 C 13 21.1150 0.3 . 2 . . . A 16 VAL CG2 . 19275 1 166 . 1 1 17 17 ILE H H 1 8.2100 0.02 . 1 . . . A 17 ILE H . 19275 1 167 . 1 1 17 17 ILE HA H 1 4.1860 0.02 . 1 . . . A 17 ILE HA . 19275 1 168 . 1 1 17 17 ILE HB H 1 1.9060 0.02 . 1 . . . A 17 ILE HB . 19275 1 169 . 1 1 17 17 ILE HG12 H 1 1.4930 0.02 . 2 . . . A 17 ILE HG12 . 19275 1 170 . 1 1 17 17 ILE HG13 H 1 1.2150 0.02 . 2 . . . A 17 ILE HG13 . 19275 1 171 . 1 1 17 17 ILE HG21 H 1 0.9240 0.02 . 1 . . . A 17 ILE HG21 . 19275 1 172 . 1 1 17 17 ILE HG22 H 1 0.9240 0.02 . 1 . . . A 17 ILE HG22 . 19275 1 173 . 1 1 17 17 ILE HG23 H 1 0.9240 0.02 . 1 . . . A 17 ILE HG23 . 19275 1 174 . 1 1 17 17 ILE HD11 H 1 0.8670 0.02 . 1 . . . A 17 ILE HD11 . 19275 1 175 . 1 1 17 17 ILE HD12 H 1 0.8670 0.02 . 1 . . . A 17 ILE HD12 . 19275 1 176 . 1 1 17 17 ILE HD13 H 1 0.8670 0.02 . 1 . . . A 17 ILE HD13 . 19275 1 177 . 1 1 17 17 ILE CA C 13 61.5800 0.3 . 1 . . . A 17 ILE CA . 19275 1 178 . 1 1 17 17 ILE CB C 13 38.4800 0.3 . 1 . . . A 17 ILE CB . 19275 1 179 . 1 1 17 17 ILE CG1 C 13 27.3400 0.3 . 1 . . . A 17 ILE CG1 . 19275 1 180 . 1 1 17 17 ILE CG2 C 13 17.6400 0.3 . 1 . . . A 17 ILE CG2 . 19275 1 181 . 1 1 17 17 ILE CD1 C 13 12.9400 0.3 . 1 . . . A 17 ILE CD1 . 19275 1 182 . 1 1 18 18 SER H H 1 8.3180 0.02 . 1 . . . A 18 SER H . 19275 1 183 . 1 1 18 18 SER HA H 1 4.4860 0.02 . 1 . . . A 18 SER HA . 19275 1 184 . 1 1 18 18 SER HB2 H 1 3.8600 0.02 . 2 . . . A 18 SER HB2 . 19275 1 185 . 1 1 18 18 SER HB3 H 1 3.9400 0.02 . 2 . . . A 18 SER HB3 . 19275 1 186 . 1 1 18 18 SER CA C 13 58.5200 0.3 . 1 . . . A 18 SER CA . 19275 1 187 . 1 1 18 18 SER CB C 13 63.8800 0.3 . 1 . . . A 18 SER CB . 19275 1 188 . 1 1 19 19 SER H H 1 8.3350 0.02 . 1 . . . A 19 SER H . 19275 1 189 . 1 1 19 19 SER HA H 1 4.4830 0.02 . 1 . . . A 19 SER HA . 19275 1 190 . 1 1 19 19 SER HB2 H 1 3.9200 0.02 . 2 . . . A 19 SER HB2 . 19275 1 191 . 1 1 19 19 SER HB3 H 1 3.8870 0.02 . 2 . . . A 19 SER HB3 . 19275 1 192 . 1 1 19 19 SER CA C 13 59.0800 0.3 . 1 . . . A 19 SER CA . 19275 1 193 . 1 1 19 19 SER CB C 13 63.7100 0.3 . 1 . . . A 19 SER CB . 19275 1 194 . 1 1 20 20 ILE H H 1 8.0020 0.02 . 1 . . . A 20 ILE H . 19275 1 195 . 1 1 20 20 ILE HA H 1 4.2330 0.02 . 1 . . . A 20 ILE HA . 19275 1 196 . 1 1 20 20 ILE HB H 1 1.8960 0.02 . 1 . . . A 20 ILE HB . 19275 1 197 . 1 1 20 20 ILE HG12 H 1 1.2100 0.02 . 2 . . . A 20 ILE HG12 . 19275 1 198 . 1 1 20 20 ILE HG13 H 1 1.4930 0.02 . 2 . . . A 20 ILE HG13 . 19275 1 199 . 1 1 20 20 ILE HG21 H 1 0.9230 0.02 . 1 . . . A 20 ILE HG21 . 19275 1 200 . 1 1 20 20 ILE HG22 H 1 0.9230 0.02 . 1 . . . A 20 ILE HG22 . 19275 1 201 . 1 1 20 20 ILE HG23 H 1 0.9230 0.02 . 1 . . . A 20 ILE HG23 . 19275 1 202 . 1 1 20 20 ILE HD11 H 1 0.8620 0.02 . 1 . . . A 20 ILE HD11 . 19275 1 203 . 1 1 20 20 ILE HD12 H 1 0.8620 0.02 . 1 . . . A 20 ILE HD12 . 19275 1 204 . 1 1 20 20 ILE HD13 H 1 0.8620 0.02 . 1 . . . A 20 ILE HD13 . 19275 1 205 . 1 1 20 20 ILE CA C 13 61.8900 0.3 . 1 . . . A 20 ILE CA . 19275 1 206 . 1 1 20 20 ILE CB C 13 38.5000 0.3 . 1 . . . A 20 ILE CB . 19275 1 207 . 1 1 20 20 ILE CG1 C 13 27.3200 0.3 . 1 . . . A 20 ILE CG1 . 19275 1 208 . 1 1 20 20 ILE CG2 C 13 17.6800 0.3 . 1 . . . A 20 ILE CG2 . 19275 1 209 . 1 1 20 20 ILE CD1 C 13 12.9600 0.3 . 1 . . . A 20 ILE CD1 . 19275 1 210 . 1 1 21 21 CYS H H 1 8.2820 0.02 . 1 . . . A 21 CYS H . 19275 1 211 . 1 1 21 21 CYS HA H 1 4.7340 0.02 . 1 . . . A 21 CYS HA . 19275 1 212 . 1 1 21 21 CYS HB2 H 1 3.2570 0.02 . 2 . . . A 21 CYS HB2 . 19275 1 213 . 1 1 21 21 CYS HB3 H 1 2.9960 0.02 . 2 . . . A 21 CYS HB3 . 19275 1 214 . 1 1 21 21 CYS CA C 13 55.2300 0.3 . 1 . . . A 21 CYS CA . 19275 1 215 . 1 1 21 21 CYS CB C 13 40.9450 0.3 . 1 . . . A 21 CYS CB . 19275 1 216 . 1 1 22 22 ALA H H 1 8.1190 0.02 . 1 . . . A 22 ALA H . 19275 1 217 . 1 1 22 22 ALA HA H 1 4.3910 0.02 . 1 . . . A 22 ALA HA . 19275 1 218 . 1 1 22 22 ALA HB1 H 1 1.4120 0.02 . 1 . . . A 22 ALA HB1 . 19275 1 219 . 1 1 22 22 ALA HB2 H 1 1.4120 0.02 . 1 . . . A 22 ALA HB2 . 19275 1 220 . 1 1 22 22 ALA HB3 H 1 1.4120 0.02 . 1 . . . A 22 ALA HB3 . 19275 1 221 . 1 1 22 22 ALA CA C 13 52.8990 0.3 . 1 . . . A 22 ALA CA . 19275 1 222 . 1 1 22 22 ALA CB C 13 19.3460 0.3 . 1 . . . A 22 ALA CB . 19275 1 223 . 1 1 23 23 GLY H H 1 8.4170 0.02 . 1 . . . A 23 GLY H . 19275 1 224 . 1 1 23 23 GLY HA2 H 1 4.0840 0.02 . 2 . . . A 23 GLY HA2 . 19275 1 225 . 1 1 23 23 GLY HA3 H 1 3.9690 0.02 . 2 . . . A 23 GLY HA3 . 19275 1 226 . 1 1 23 23 GLY CA C 13 45.5400 0.3 . 1 . . . A 23 GLY CA . 19275 1 227 . 1 1 24 24 THR H H 1 8.0810 0.02 . 1 . . . A 24 THR H . 19275 1 228 . 1 1 24 24 THR HA H 1 4.3980 0.02 . 1 . . . A 24 THR HA . 19275 1 229 . 1 1 24 24 THR HB H 1 4.2790 0.02 . 1 . . . A 24 THR HB . 19275 1 230 . 1 1 24 24 THR HG21 H 1 1.2070 0.02 . 1 . . . A 24 THR HG21 . 19275 1 231 . 1 1 24 24 THR HG22 H 1 1.2070 0.02 . 1 . . . A 24 THR HG22 . 19275 1 232 . 1 1 24 24 THR HG23 H 1 1.2070 0.02 . 1 . . . A 24 THR HG23 . 19275 1 233 . 1 1 24 24 THR CA C 13 61.7400 0.3 . 1 . . . A 24 THR CA . 19275 1 234 . 1 1 24 24 THR CB C 13 69.9000 0.3 . 1 . . . A 24 THR CB . 19275 1 235 . 1 1 24 24 THR CG2 C 13 21.4400 0.3 . 1 . . . A 24 THR CG2 . 19275 1 236 . 1 1 25 25 ILE H H 1 8.0730 0.02 . 1 . . . A 25 ILE H . 19275 1 237 . 1 1 25 25 ILE HA H 1 4.2780 0.02 . 1 . . . A 25 ILE HA . 19275 1 238 . 1 1 25 25 ILE HB H 1 1.9890 0.02 . 1 . . . A 25 ILE HB . 19275 1 239 . 1 1 25 25 ILE HG12 H 1 1.2110 0.02 . 2 . . . A 25 ILE HG12 . 19275 1 240 . 1 1 25 25 ILE HG13 H 1 1.4640 0.02 . 2 . . . A 25 ILE HG13 . 19275 1 241 . 1 1 25 25 ILE HG21 H 1 0.9410 0.02 . 1 . . . A 25 ILE HG21 . 19275 1 242 . 1 1 25 25 ILE HG22 H 1 0.9410 0.02 . 1 . . . A 25 ILE HG22 . 19275 1 243 . 1 1 25 25 ILE HG23 H 1 0.9410 0.02 . 1 . . . A 25 ILE HG23 . 19275 1 244 . 1 1 25 25 ILE HD11 H 1 0.8840 0.02 . 1 . . . A 25 ILE HD11 . 19275 1 245 . 1 1 25 25 ILE HD12 H 1 0.8840 0.02 . 1 . . . A 25 ILE HD12 . 19275 1 246 . 1 1 25 25 ILE HD13 H 1 0.8840 0.02 . 1 . . . A 25 ILE HD13 . 19275 1 247 . 1 1 25 25 ILE CA C 13 61.3860 0.3 . 1 . . . A 25 ILE CA . 19275 1 248 . 1 1 25 25 ILE CB C 13 38.4890 0.3 . 1 . . . A 25 ILE CB . 19275 1 249 . 1 1 25 25 ILE CG1 C 13 27.4300 0.3 . 1 . . . A 25 ILE CG1 . 19275 1 250 . 1 1 25 25 ILE CG2 C 13 17.8300 0.3 . 1 . . . A 25 ILE CG2 . 19275 1 251 . 1 1 25 25 ILE CD1 C 13 13.1300 0.3 . 1 . . . A 25 ILE CD1 . 19275 1 252 . 1 1 26 26 ILE H H 1 8.1140 0.02 . 1 . . . A 26 ILE H . 19275 1 253 . 1 1 26 26 ILE HA H 1 4.2400 0.02 . 1 . . . A 26 ILE HA . 19275 1 254 . 1 1 26 26 ILE HB H 1 1.9930 0.02 . 1 . . . A 26 ILE HB . 19275 1 255 . 1 1 26 26 ILE HG12 H 1 1.2280 0.02 . 2 . . . A 26 ILE HG12 . 19275 1 256 . 1 1 26 26 ILE HG13 H 1 1.4510 0.02 . 2 . . . A 26 ILE HG13 . 19275 1 257 . 1 1 26 26 ILE HG21 H 1 0.9390 0.02 . 1 . . . A 26 ILE HG21 . 19275 1 258 . 1 1 26 26 ILE HG22 H 1 0.9390 0.02 . 1 . . . A 26 ILE HG22 . 19275 1 259 . 1 1 26 26 ILE HG23 H 1 0.9390 0.02 . 1 . . . A 26 ILE HG23 . 19275 1 260 . 1 1 26 26 ILE HD11 H 1 0.8800 0.02 . 1 . . . A 26 ILE HD11 . 19275 1 261 . 1 1 26 26 ILE HD12 H 1 0.8800 0.02 . 1 . . . A 26 ILE HD12 . 19275 1 262 . 1 1 26 26 ILE HD13 H 1 0.8800 0.02 . 1 . . . A 26 ILE HD13 . 19275 1 263 . 1 1 26 26 ILE CA C 13 61.5500 0.3 . 1 . . . A 26 ILE CA . 19275 1 264 . 1 1 26 26 ILE CB C 13 38.3790 0.3 . 1 . . . A 26 ILE CB . 19275 1 265 . 1 1 26 26 ILE CG1 C 13 27.2830 0.3 . 1 . . . A 26 ILE CG1 . 19275 1 266 . 1 1 26 26 ILE CG2 C 13 17.7630 0.3 . 1 . . . A 26 ILE CG2 . 19275 1 267 . 1 1 26 26 ILE CD1 C 13 12.8160 0.3 . 1 . . . A 26 ILE CD1 . 19275 1 268 . 1 1 27 27 THR H H 1 7.8730 0.02 . 1 . . . A 27 THR H . 19275 1 269 . 1 1 27 27 THR HA H 1 4.1860 0.02 . 1 . . . A 27 THR HA . 19275 1 270 . 1 1 27 27 THR HB H 1 4.2500 0.02 . 1 . . . A 27 THR HB . 19275 1 271 . 1 1 27 27 THR HG21 H 1 1.2350 0.02 . 1 . . . A 27 THR HG21 . 19275 1 272 . 1 1 27 27 THR HG22 H 1 1.2350 0.02 . 1 . . . A 27 THR HG22 . 19275 1 273 . 1 1 27 27 THR HG23 H 1 1.2350 0.02 . 1 . . . A 27 THR HG23 . 19275 1 274 . 1 1 27 27 THR CA C 13 62.8500 0.3 . 1 . . . A 27 THR CA . 19275 1 275 . 1 1 27 27 THR CB C 13 69.1600 0.3 . 1 . . . A 27 THR CB . 19275 1 276 . 1 1 27 27 THR CG2 C 13 22.0900 0.3 . 1 . . . A 27 THR CG2 . 19275 1 277 . 1 1 28 28 ALA H H 1 8.1140 0.02 . 1 . . . A 28 ALA H . 19275 1 278 . 1 1 28 28 ALA HA H 1 4.3640 0.02 . 1 . . . A 28 ALA HA . 19275 1 279 . 1 1 28 28 ALA HB1 H 1 1.3940 0.02 . 1 . . . A 28 ALA HB1 . 19275 1 280 . 1 1 28 28 ALA HB2 H 1 1.3940 0.02 . 1 . . . A 28 ALA HB2 . 19275 1 281 . 1 1 28 28 ALA HB3 H 1 1.3940 0.02 . 1 . . . A 28 ALA HB3 . 19275 1 282 . 1 1 28 28 ALA CA C 13 52.8280 0.3 . 1 . . . A 28 ALA CA . 19275 1 283 . 1 1 28 28 ALA CB C 13 18.9560 0.3 . 1 . . . A 28 ALA CB . 19275 1 284 . 1 1 29 29 CYS H H 1 8.0080 0.02 . 1 . . . A 29 CYS H . 19275 1 285 . 1 1 29 29 CYS HA H 1 4.6350 0.02 . 1 . . . A 29 CYS HA . 19275 1 286 . 1 1 29 29 CYS HB2 H 1 3.1290 0.02 . 2 . . . A 29 CYS HB2 . 19275 1 287 . 1 1 29 29 CYS HB3 H 1 3.2010 0.02 . 2 . . . A 29 CYS HB3 . 19275 1 288 . 1 1 29 29 CYS CA C 13 56.2300 0.3 . 1 . . . A 29 CYS CA . 19275 1 289 . 1 1 29 29 CYS CB C 13 41.9760 0.3 . 1 . . . A 29 CYS CB . 19275 1 290 . 1 1 30 30 LYS H H 1 8.3110 0.02 . 1 . . . A 30 LYS H . 19275 1 291 . 1 1 30 30 LYS HA H 1 4.3710 0.02 . 1 . . . A 30 LYS HA . 19275 1 292 . 1 1 30 30 LYS HB2 H 1 1.7770 0.02 . 2 . . . A 30 LYS HB2 . 19275 1 293 . 1 1 30 30 LYS HB3 H 1 1.8630 0.02 . 2 . . . A 30 LYS HB3 . 19275 1 294 . 1 1 30 30 LYS HG2 H 1 1.4360 0.02 . 2 . . . A 30 LYS HG2 . 19275 1 295 . 1 1 30 30 LYS HG3 H 1 1.4360 0.02 . 2 . . . A 30 LYS HG3 . 19275 1 296 . 1 1 30 30 LYS HD2 H 1 1.6700 0.02 . 2 . . . A 30 LYS HD2 . 19275 1 297 . 1 1 30 30 LYS HD3 H 1 1.6700 0.02 . 2 . . . A 30 LYS HD3 . 19275 1 298 . 1 1 30 30 LYS HE2 H 1 2.9800 0.02 . 2 . . . A 30 LYS HE2 . 19275 1 299 . 1 1 30 30 LYS HE3 H 1 2.9800 0.02 . 2 . . . A 30 LYS HE3 . 19275 1 300 . 1 1 30 30 LYS CA C 13 56.5000 0.3 . 1 . . . A 30 LYS CA . 19275 1 301 . 1 1 30 30 LYS CB C 13 32.9700 0.3 . 1 . . . A 30 LYS CB . 19275 1 302 . 1 1 30 30 LYS CG C 13 24.7790 0.3 . 1 . . . A 30 LYS CG . 19275 1 303 . 1 1 30 30 LYS CD C 13 28.9900 0.3 . 1 . . . A 30 LYS CD . 19275 1 304 . 1 1 30 30 LYS CE C 13 41.8400 0.3 . 1 . . . A 30 LYS CE . 19275 1 305 . 1 1 31 31 ASN H H 1 8.3510 0.02 . 1 . . . A 31 ASN H . 19275 1 306 . 1 1 31 31 ASN HA H 1 4.7610 0.02 . 1 . . . A 31 ASN HA . 19275 1 307 . 1 1 31 31 ASN HB2 H 1 2.7460 0.02 . 2 . . . A 31 ASN HB2 . 19275 1 308 . 1 1 31 31 ASN HB3 H 1 2.8740 0.02 . 2 . . . A 31 ASN HB3 . 19275 1 309 . 1 1 31 31 ASN HD21 H 1 6.9630 0.02 . 2 . . . A 31 ASN HD21 . 19275 1 310 . 1 1 31 31 ASN HD22 H 1 7.5950 0.02 . 2 . . . A 31 ASN HD22 . 19275 1 311 . 1 1 31 31 ASN CA C 13 53.5830 0.3 . 1 . . . A 31 ASN CA . 19275 1 312 . 1 1 31 31 ASN CB C 13 39.1780 0.3 . 1 . . . A 31 ASN CB . 19275 1 313 . 1 1 32 32 CYS H H 1 8.2850 0.02 . 1 . . . A 32 CYS H . 19275 1 314 . 1 1 32 32 CYS HA H 1 4.5150 0.02 . 1 . . . A 32 CYS HA . 19275 1 315 . 1 1 32 32 CYS HB2 H 1 3.0900 0.02 . 2 . . . A 32 CYS HB2 . 19275 1 316 . 1 1 32 32 CYS HB3 H 1 2.8940 0.02 . 2 . . . A 32 CYS HB3 . 19275 1 317 . 1 1 32 32 CYS CA C 13 55.6900 0.3 . 1 . . . A 32 CYS CA . 19275 1 318 . 1 1 32 32 CYS CB C 13 34.1900 0.3 . 1 . . . A 32 CYS CB . 19275 1 319 . 1 1 33 33 ALA H H 1 7.8710 0.02 . 1 . . . A 33 ALA H . 19275 1 320 . 1 1 33 33 ALA HA H 1 4.1300 0.02 . 1 . . . A 33 ALA HA . 19275 1 321 . 1 1 33 33 ALA HB1 H 1 1.3410 0.02 . 1 . . . A 33 ALA HB1 . 19275 1 322 . 1 1 33 33 ALA HB2 H 1 1.3410 0.02 . 1 . . . A 33 ALA HB2 . 19275 1 323 . 1 1 33 33 ALA HB3 H 1 1.3410 0.02 . 1 . . . A 33 ALA HB3 . 19275 1 324 . 1 1 33 33 ALA CA C 13 53.9000 0.3 . 1 . . . A 33 ALA CA . 19275 1 325 . 1 1 33 33 ALA CB C 13 20.3700 0.3 . 1 . . . A 33 ALA CB . 19275 1 stop_ save_