################################### # 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 15605 _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 'triple resonance backbone experiments' . . . 15605 1 4 '2D NOESY' . . . 15605 1 8 '2D 1H-13C HSQC' . . . 15605 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 $CARA . . 15605 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 GLU HA H 1 4.050 0.000 . 1 . . . . 1 GLU HA . 15605 1 2 . 1 1 1 1 GLU HB2 H 1 2.150 0.000 . 2 . . . . 1 GLU HB2 . 15605 1 3 . 1 1 1 1 GLU HB3 H 1 2.100 0.000 . 2 . . . . 1 GLU HB3 . 15605 1 4 . 1 1 1 1 GLU HG2 H 1 2.390 0.000 . 1 . . . . 1 GLU HG2 . 15605 1 5 . 1 1 1 1 GLU CA C 13 55.910 0.000 . 1 . . . . 1 GLU CA . 15605 1 6 . 1 1 1 1 GLU CB C 13 30.750 0.000 . 1 . . . . 1 GLU CB . 15605 1 7 . 1 1 1 1 GLU CG C 13 35.990 0.000 . 1 . . . . 1 GLU CG . 15605 1 8 . 1 1 2 2 LEU HA H 1 4.360 0.000 . 1 . . . . 2 LEU HA . 15605 1 9 . 1 1 2 2 LEU HB2 H 1 1.680 0.000 . 2 . . . . 2 LEU HB2 . 15605 1 10 . 1 1 2 2 LEU HB3 H 1 1.660 0.000 . 2 . . . . 2 LEU HB3 . 15605 1 11 . 1 1 2 2 LEU HG H 1 1.680 0.000 . 1 . . . . 2 LEU HG . 15605 1 12 . 1 1 2 2 LEU C C 13 176.720 0.000 . 1 . . . . 2 LEU C . 15605 1 13 . 1 1 2 2 LEU CA C 13 55.880 0.000 . 1 . . . . 2 LEU CA . 15605 1 14 . 1 1 2 2 LEU CB C 13 42.330 0.000 . 1 . . . . 2 LEU CB . 15605 1 15 . 1 1 2 2 LEU CD1 C 13 24.930 0.000 . 1 . . . . 2 LEU CD1 . 15605 1 16 . 1 1 2 2 LEU CD2 C 13 24.040 0.000 . 1 . . . . 2 LEU CD2 . 15605 1 17 . 1 1 2 2 LEU CG C 13 27.120 0.000 . 1 . . . . 2 LEU CG . 15605 1 18 . 1 1 3 3 ASP H H 1 8.510 0.000 . 1 . . . . 3 ASP H . 15605 1 19 . 1 1 3 3 ASP HA H 1 4.550 0.000 . 1 . . . . 3 ASP HA . 15605 1 20 . 1 1 3 3 ASP HB2 H 1 2.760 0.000 . 1 . . . . 3 ASP HB2 . 15605 1 21 . 1 1 3 3 ASP C C 13 177.160 0.000 . 1 . . . . 3 ASP C . 15605 1 22 . 1 1 3 3 ASP CA C 13 54.690 0.000 . 1 . . . . 3 ASP CA . 15605 1 23 . 1 1 3 3 ASP CB C 13 41.160 0.000 . 1 . . . . 3 ASP CB . 15605 1 24 . 1 1 3 3 ASP N N 15 120.830 0.000 . 1 . . . . 3 ASP N . 15605 1 25 . 1 1 4 4 LYS H H 1 8.370 0.000 . 1 . . . . 4 LYS H . 15605 1 26 . 1 1 4 4 LYS HA H 1 4.070 0.000 . 1 . . . . 4 LYS HA . 15605 1 27 . 1 1 4 4 LYS HB2 H 1 1.660 0.000 . 2 . . . . 4 LYS HB2 . 15605 1 28 . 1 1 4 4 LYS HB3 H 1 1.610 0.000 . 2 . . . . 4 LYS HB3 . 15605 1 29 . 1 1 4 4 LYS HD2 H 1 1.520 0.000 . 1 . . . . 4 LYS HD2 . 15605 1 30 . 1 1 4 4 LYS HE2 H 1 2.820 0.000 . 1 . . . . 4 LYS HE2 . 15605 1 31 . 1 1 4 4 LYS HG3 H 1 1.120 0.000 . 2 . . . . 4 LYS HG3 . 15605 1 32 . 1 1 4 4 LYS C C 13 177.440 0.000 . 1 . . . . 4 LYS C . 15605 1 33 . 1 1 4 4 LYS CA C 13 58.260 0.000 . 1 . . . . 4 LYS CA . 15605 1 34 . 1 1 4 4 LYS CB C 13 32.340 0.000 . 1 . . . . 4 LYS CB . 15605 1 35 . 1 1 4 4 LYS CD C 13 29.070 0.000 . 1 . . . . 4 LYS CD . 15605 1 36 . 1 1 4 4 LYS CE C 13 41.790 0.000 . 1 . . . . 4 LYS CE . 15605 1 37 . 1 1 4 4 LYS CG C 13 24.430 0.000 . 1 . . . . 4 LYS CG . 15605 1 38 . 1 1 4 4 LYS N N 15 121.230 0.000 . 1 . . . . 4 LYS N . 15605 1 39 . 1 1 5 5 TRP H H 1 8.040 0.000 . 1 . . . . 5 TRP H . 15605 1 40 . 1 1 5 5 TRP HA H 1 4.560 0.000 . 1 . . . . 5 TRP HA . 15605 1 41 . 1 1 5 5 TRP HB2 H 1 3.320 0.000 . 2 . . . . 5 TRP HB2 . 15605 1 42 . 1 1 5 5 TRP HB3 H 1 3.420 0.000 . 2 . . . . 5 TRP HB3 . 15605 1 43 . 1 1 5 5 TRP HD1 H 1 7.410 0.000 . 1 . . . . 5 TRP HD1 . 15605 1 44 . 1 1 5 5 TRP HE1 H 1 10.650 0.000 . 1 . . . . 5 TRP HE1 . 15605 1 45 . 1 1 5 5 TRP HE3 H 1 7.530 0.000 . 1 . . . . 5 TRP HE3 . 15605 1 46 . 1 1 5 5 TRP HH2 H 1 7.090 0.000 . 1 . . . . 5 TRP HH2 . 15605 1 47 . 1 1 5 5 TRP HZ2 H 1 7.490 0.000 . 1 . . . . 5 TRP HZ2 . 15605 1 48 . 1 1 5 5 TRP HZ3 H 1 6.950 0.000 . 1 . . . . 5 TRP HZ3 . 15605 1 49 . 1 1 5 5 TRP C C 13 177.180 0.000 . 1 . . . . 5 TRP C . 15605 1 50 . 1 1 5 5 TRP CA C 13 58.510 0.000 . 1 . . . . 5 TRP CA . 15605 1 51 . 1 1 5 5 TRP CB C 13 29.220 0.000 . 1 . . . . 5 TRP CB . 15605 1 52 . 1 1 5 5 TRP CD1 C 13 127.580 0.000 . 1 . . . . 5 TRP CD1 . 15605 1 53 . 1 1 5 5 TRP CE3 C 13 120.860 0.000 . 1 . . . . 5 TRP CE3 . 15605 1 54 . 1 1 5 5 TRP CH2 C 13 123.870 0.000 . 1 . . . . 5 TRP CH2 . 15605 1 55 . 1 1 5 5 TRP CZ2 C 13 114.640 0.000 . 1 . . . . 5 TRP CZ2 . 15605 1 56 . 1 1 5 5 TRP CZ3 C 13 121.160 0.000 . 1 . . . . 5 TRP CZ3 . 15605 1 57 . 1 1 5 5 TRP N N 15 119.690 0.000 . 1 . . . . 5 TRP N . 15605 1 58 . 1 1 5 5 TRP NE1 N 15 129.800 0.000 . 1 . . . . 5 TRP NE1 . 15605 1 59 . 1 1 6 6 ALA H H 1 8.050 0.000 . 1 . . . . 6 ALA H . 15605 1 60 . 1 1 6 6 ALA HA H 1 4.120 0.000 . 1 . . . . 6 ALA HA . 15605 1 61 . 1 1 6 6 ALA HB1 H 1 1.540 0.000 . 1 . . . . 6 ALA HB . 15605 1 62 . 1 1 6 6 ALA HB2 H 1 1.540 0.000 . 1 . . . . 6 ALA HB . 15605 1 63 . 1 1 6 6 ALA HB3 H 1 1.540 0.000 . 1 . . . . 6 ALA HB . 15605 1 64 . 1 1 6 6 ALA C C 13 179.850 0.000 . 1 . . . . 6 ALA C . 15605 1 65 . 1 1 6 6 ALA CA C 13 55.020 0.000 . 1 . . . . 6 ALA CA . 15605 1 66 . 1 1 6 6 ALA CB C 13 18.670 0.000 . 1 . . . . 6 ALA CB . 15605 1 67 . 1 1 6 6 ALA N N 15 121.090 0.000 . 1 . . . . 6 ALA N . 15605 1 68 . 1 1 7 7 SER H H 1 8.120 0.000 . 1 . . . . 7 SER H . 15605 1 69 . 1 1 7 7 SER HA H 1 4.310 0.000 . 1 . . . . 7 SER HA . 15605 1 70 . 1 1 7 7 SER HB2 H 1 3.960 0.000 . 2 . . . . 7 SER HB2 . 15605 1 71 . 1 1 7 7 SER HB3 H 1 3.880 0.000 . 2 . . . . 7 SER HB3 . 15605 1 72 . 1 1 7 7 SER C C 13 176.110 0.000 . 1 . . . . 7 SER C . 15605 1 73 . 1 1 7 7 SER CA C 13 61.020 0.000 . 1 . . . . 7 SER CA . 15605 1 74 . 1 1 7 7 SER CB C 13 62.970 0.000 . 1 . . . . 7 SER CB . 15605 1 75 . 1 1 7 7 SER N N 15 112.430 0.000 . 1 . . . . 7 SER N . 15605 1 76 . 1 1 8 8 LEU H H 1 7.840 0.000 . 1 . . . . 8 LEU H . 15605 1 77 . 1 1 8 8 LEU HA H 1 4.120 0.000 . 1 . . . . 8 LEU HA . 15605 1 78 . 1 1 8 8 LEU HB2 H 1 1.750 0.000 . 2 . . . . 8 LEU HB2 . 15605 1 79 . 1 1 8 8 LEU HB3 H 1 1.650 0.000 . 2 . . . . 8 LEU HB3 . 15605 1 80 . 1 1 8 8 LEU HG H 1 1.660 0.000 . 1 . . . . 8 LEU HG . 15605 1 81 . 1 1 8 8 LEU C C 13 177.750 0.000 . 1 . . . . 8 LEU C . 15605 1 82 . 1 1 8 8 LEU CA C 13 57.770 0.000 . 1 . . . . 8 LEU CA . 15605 1 83 . 1 1 8 8 LEU CB C 13 42.040 0.000 . 1 . . . . 8 LEU CB . 15605 1 84 . 1 1 8 8 LEU CD1 C 13 25.240 0.000 . 1 . . . . 8 LEU CD1 . 15605 1 85 . 1 1 8 8 LEU CD2 C 13 24.630 0.000 . 1 . . . . 8 LEU CD2 . 15605 1 86 . 1 1 8 8 LEU CG C 13 27.140 0.000 . 1 . . . . 8 LEU CG . 15605 1 87 . 1 1 8 8 LEU N N 15 122.390 0.000 . 1 . . . . 8 LEU N . 15605 1 88 . 1 1 9 9 TRP H H 1 7.920 0.000 . 1 . . . . 9 TRP H . 15605 1 89 . 1 1 9 9 TRP HA H 1 4.620 0.000 . 1 . . . . 9 TRP HA . 15605 1 90 . 1 1 9 9 TRP HB2 H 1 3.270 0.000 . 2 . . . . 9 TRP HB2 . 15605 1 91 . 1 1 9 9 TRP HB3 H 1 3.440 0.000 . 2 . . . . 9 TRP HB3 . 15605 1 92 . 1 1 9 9 TRP HD1 H 1 7.280 0.000 . 1 . . . . 9 TRP HD1 . 15605 1 93 . 1 1 9 9 TRP HE1 H 1 10.270 0.000 . 1 . . . . 9 TRP HE1 . 15605 1 94 . 1 1 9 9 TRP HE3 H 1 7.590 0.000 . 1 . . . . 9 TRP HE3 . 15605 1 95 . 1 1 9 9 TRP HH2 H 1 7.080 0.000 . 1 . . . . 9 TRP HH2 . 15605 1 96 . 1 1 9 9 TRP HZ2 H 1 7.460 0.000 . 1 . . . . 9 TRP HZ2 . 15605 1 97 . 1 1 9 9 TRP HZ3 H 1 6.940 0.000 . 1 . . . . 9 TRP HZ3 . 15605 1 98 . 1 1 9 9 TRP C C 13 177.420 0.000 . 1 . . . . 9 TRP C . 15605 1 99 . 1 1 9 9 TRP CA C 13 58.910 0.000 . 1 . . . . 9 TRP CA . 15605 1 100 . 1 1 9 9 TRP CB C 13 29.490 0.000 . 1 . . . . 9 TRP CB . 15605 1 101 . 1 1 9 9 TRP CD1 C 13 127.980 0.000 . 1 . . . . 9 TRP CD1 . 15605 1 102 . 1 1 9 9 TRP CE3 C 13 121.080 0.000 . 1 . . . . 9 TRP CE3 . 15605 1 103 . 1 1 9 9 TRP CH2 C 13 123.320 0.000 . 1 . . . . 9 TRP CH2 . 15605 1 104 . 1 1 9 9 TRP CZ2 C 13 114.600 0.000 . 1 . . . . 9 TRP CZ2 . 15605 1 105 . 1 1 9 9 TRP CZ3 C 13 121.400 0.000 . 1 . . . . 9 TRP CZ3 . 15605 1 106 . 1 1 9 9 TRP N N 15 117.390 0.000 . 1 . . . . 9 TRP N . 15605 1 107 . 1 1 9 9 TRP NE1 N 15 129.330 0.000 . 1 . . . . 9 TRP NE1 . 15605 1 108 . 1 1 10 10 ASN H H 1 8.050 0.000 . 1 . . . . 10 ASN H . 15605 1 109 . 1 1 10 10 ASN HA H 1 4.590 0.000 . 1 . . . . 10 ASN HA . 15605 1 110 . 1 1 10 10 ASN HB2 H 1 2.880 0.000 . 2 . . . . 10 ASN HB2 . 15605 1 111 . 1 1 10 10 ASN HB3 H 1 2.840 0.000 . 2 . . . . 10 ASN HB3 . 15605 1 112 . 1 1 10 10 ASN HD21 H 1 7.600 0.000 . 2 . . . . 10 ASN HD21 . 15605 1 113 . 1 1 10 10 ASN HD22 H 1 6.960 0.000 . 2 . . . . 10 ASN HD22 . 15605 1 114 . 1 1 10 10 ASN C C 13 176.450 0.000 . 1 . . . . 10 ASN C . 15605 1 115 . 1 1 10 10 ASN CA C 13 54.930 0.000 . 1 . . . . 10 ASN CA . 15605 1 116 . 1 1 10 10 ASN CB C 13 38.780 0.000 . 1 . . . . 10 ASN CB . 15605 1 117 . 1 1 10 10 ASN N N 15 115.570 0.000 . 1 . . . . 10 ASN N . 15605 1 118 . 1 1 10 10 ASN ND2 N 15 112.140 0.000 . 1 . . . . 10 ASN ND2 . 15605 1 119 . 1 1 11 11 TRP H H 1 8.040 0.000 . 1 . . . . 11 TRP H . 15605 1 120 . 1 1 11 11 TRP HA H 1 4.390 0.000 . 1 . . . . 11 TRP HA . 15605 1 121 . 1 1 11 11 TRP HB2 H 1 3.320 0.000 . 1 . . . . 11 TRP HB2 . 15605 1 122 . 1 1 11 11 TRP HD1 H 1 7.240 0.000 . 1 . . . . 11 TRP HD1 . 15605 1 123 . 1 1 11 11 TRP HE1 H 1 10.430 0.000 . 1 . . . . 11 TRP HE1 . 15605 1 124 . 1 1 11 11 TRP HE3 H 1 7.330 0.000 . 1 . . . . 11 TRP HE3 . 15605 1 125 . 1 1 11 11 TRP HH2 H 1 7.070 0.000 . 1 . . . . 11 TRP HH2 . 15605 1 126 . 1 1 11 11 TRP HZ2 H 1 7.440 0.000 . 1 . . . . 11 TRP HZ2 . 15605 1 127 . 1 1 11 11 TRP HZ3 H 1 6.900 0.000 . 1 . . . . 11 TRP HZ3 . 15605 1 128 . 1 1 11 11 TRP C C 13 176.660 0.000 . 1 . . . . 11 TRP C . 15605 1 129 . 1 1 11 11 TRP CA C 13 59.580 0.000 . 1 . . . . 11 TRP CA . 15605 1 130 . 1 1 11 11 TRP CB C 13 29.410 0.000 . 1 . . . . 11 TRP CB . 15605 1 131 . 1 1 11 11 TRP CD1 C 13 126.830 0.000 . 1 . . . . 11 TRP CD1 . 15605 1 132 . 1 1 11 11 TRP CE3 C 13 120.950 0.000 . 1 . . . . 11 TRP CE3 . 15605 1 133 . 1 1 11 11 TRP CH2 C 13 123.810 0.000 . 1 . . . . 11 TRP CH2 . 15605 1 134 . 1 1 11 11 TRP CZ2 C 13 114.470 0.000 . 1 . . . . 11 TRP CZ2 . 15605 1 135 . 1 1 11 11 TRP CZ3 C 13 120.620 0.000 . 1 . . . . 11 TRP CZ3 . 15605 1 136 . 1 1 11 11 TRP N N 15 120.370 0.000 . 1 . . . . 11 TRP N . 15605 1 137 . 1 1 11 11 TRP NE1 N 15 129.700 0.000 . 1 . . . . 11 TRP NE1 . 15605 1 138 . 1 1 12 12 PHE H H 1 7.950 0.000 . 1 . . . . 12 PHE H . 15605 1 139 . 1 1 12 12 PHE HA H 1 4.270 0.000 . 1 . . . . 12 PHE HA . 15605 1 140 . 1 1 12 12 PHE HB2 H 1 2.970 0.000 . 2 . . . . 12 PHE HB2 . 15605 1 141 . 1 1 12 12 PHE HB3 H 1 3.120 0.000 . 2 . . . . 12 PHE HB3 . 15605 1 142 . 1 1 12 12 PHE HD1 H 1 7.220 0.000 . 1 . . . . 12 PHE HD1 . 15605 1 143 . 1 1 12 12 PHE HE1 H 1 7.180 0.000 . 1 . . . . 12 PHE HE1 . 15605 1 144 . 1 1 12 12 PHE HZ H 1 7.100 0.000 . 1 . . . . 12 PHE HZ . 15605 1 145 . 1 1 12 12 PHE C C 13 175.070 0.000 . 1 . . . . 12 PHE C . 15605 1 146 . 1 1 12 12 PHE CA C 13 58.870 0.000 . 1 . . . . 12 PHE CA . 15605 1 147 . 1 1 12 12 PHE CB C 13 39.250 0.000 . 1 . . . . 12 PHE CB . 15605 1 148 . 1 1 12 12 PHE CD1 C 13 131.760 0.000 . 1 . . . . 12 PHE CD1 . 15605 1 149 . 1 1 12 12 PHE CE1 C 13 131.340 0.000 . 1 . . . . 12 PHE CE1 . 15605 1 150 . 1 1 12 12 PHE CZ C 13 128.950 0.000 . 1 . . . . 12 PHE CZ . 15605 1 151 . 1 1 12 12 PHE N N 15 117.180 0.000 . 1 . . . . 12 PHE N . 15605 1 152 . 1 1 13 13 ASN H H 1 7.760 0.000 . 1 . . . . 13 ASN H . 15605 1 153 . 1 1 13 13 ASN HA H 1 4.600 0.000 . 1 . . . . 13 ASN HA . 15605 1 154 . 1 1 13 13 ASN HB2 H 1 2.860 0.000 . 2 . . . . 13 ASN HB2 . 15605 1 155 . 1 1 13 13 ASN HB3 H 1 2.630 0.000 . 2 . . . . 13 ASN HB3 . 15605 1 156 . 1 1 13 13 ASN HD21 H 1 7.550 0.000 . 2 . . . . 13 ASN HD21 . 15605 1 157 . 1 1 13 13 ASN HD22 H 1 6.610 0.000 . 2 . . . . 13 ASN HD22 . 15605 1 158 . 1 1 13 13 ASN C C 13 175.950 0.000 . 1 . . . . 13 ASN C . 15605 1 159 . 1 1 13 13 ASN CA C 13 53.320 0.000 . 1 . . . . 13 ASN CA . 15605 1 160 . 1 1 13 13 ASN CB C 13 38.370 0.000 . 1 . . . . 13 ASN CB . 15605 1 161 . 1 1 13 13 ASN N N 15 117.890 0.000 . 1 . . . . 13 ASN N . 15605 1 162 . 1 1 13 13 ASN ND2 N 15 111.380 0.000 . 1 . . . . 13 ASN ND2 . 15605 1 163 . 1 1 14 14 ILE H H 1 8.030 0.000 . 1 . . . . 14 ILE H . 15605 1 164 . 1 1 14 14 ILE HA H 1 3.760 0.000 . 1 . . . . 14 ILE HA . 15605 1 165 . 1 1 14 14 ILE HG12 H 1 1.400 0.000 . 2 . . . . 14 ILE HG12 . 15605 1 166 . 1 1 14 14 ILE HG13 H 1 1.170 0.000 . 2 . . . . 14 ILE HG13 . 15605 1 167 . 1 1 14 14 ILE HG21 H 1 0.800 0.000 . 1 . . . . 14 ILE HG2 . 15605 1 168 . 1 1 14 14 ILE HG22 H 1 0.800 0.000 . 1 . . . . 14 ILE HG2 . 15605 1 169 . 1 1 14 14 ILE HG23 H 1 0.800 0.000 . 1 . . . . 14 ILE HG2 . 15605 1 170 . 1 1 14 14 ILE C C 13 176.600 0.000 . 1 . . . . 14 ILE C . 15605 1 171 . 1 1 14 14 ILE CA C 13 63.030 0.000 . 1 . . . . 14 ILE CA . 15605 1 172 . 1 1 14 14 ILE CB C 13 38.230 0.000 . 1 . . . . 14 ILE CB . 15605 1 173 . 1 1 14 14 ILE CD1 C 13 13.670 0.000 . 1 . . . . 14 ILE CD1 . 15605 1 174 . 1 1 14 14 ILE CG1 C 13 28.170 0.000 . 1 . . . . 14 ILE CG1 . 15605 1 175 . 1 1 14 14 ILE CG2 C 13 17.730 0.000 . 1 . . . . 14 ILE CG2 . 15605 1 176 . 1 1 14 14 ILE N N 15 119.140 0.000 . 1 . . . . 14 ILE N . 15605 1 177 . 1 1 15 15 THR H H 1 7.890 0.000 . 1 . . . . 15 THR H . 15605 1 178 . 1 1 15 15 THR HA H 1 3.930 0.000 . 1 . . . . 15 THR HA . 15605 1 179 . 1 1 15 15 THR HG21 H 1 1.070 0.000 . 1 . . . . 15 THR HG2 . 15605 1 180 . 1 1 15 15 THR HG22 H 1 1.070 0.000 . 1 . . . . 15 THR HG2 . 15605 1 181 . 1 1 15 15 THR HG23 H 1 1.070 0.000 . 1 . . . . 15 THR HG2 . 15605 1 182 . 1 1 15 15 THR C C 13 175.480 0.000 . 1 . . . . 15 THR C . 15605 1 183 . 1 1 15 15 THR CA C 13 64.970 0.000 . 1 . . . . 15 THR CA . 15605 1 184 . 1 1 15 15 THR CB C 13 68.720 0.000 . 1 . . . . 15 THR CB . 15605 1 185 . 1 1 15 15 THR CG2 C 13 21.840 0.000 . 1 . . . . 15 THR CG2 . 15605 1 186 . 1 1 15 15 THR N N 15 114.190 0.000 . 1 . . . . 15 THR N . 15605 1 187 . 1 1 16 16 ASN H H 1 7.900 0.000 . 1 . . . . 16 ASN H . 15605 1 188 . 1 1 16 16 ASN HA H 1 4.600 0.000 . 1 . . . . 16 ASN HA . 15605 1 189 . 1 1 16 16 ASN HB2 H 1 2.700 0.000 . 1 . . . . 16 ASN HB2 . 15605 1 190 . 1 1 16 16 ASN HD21 H 1 7.510 0.000 . 2 . . . . 16 ASN HD21 . 15605 1 191 . 1 1 16 16 ASN HD22 H 1 6.760 0.000 . 2 . . . . 16 ASN HD22 . 15605 1 192 . 1 1 16 16 ASN C C 13 175.980 0.000 . 1 . . . . 16 ASN C . 15605 1 193 . 1 1 16 16 ASN CA C 13 54.550 0.000 . 1 . . . . 16 ASN CA . 15605 1 194 . 1 1 16 16 ASN CB C 13 38.220 0.000 . 1 . . . . 16 ASN CB . 15605 1 195 . 1 1 16 16 ASN N N 15 118.860 0.000 . 1 . . . . 16 ASN N . 15605 1 196 . 1 1 16 16 ASN ND2 N 15 111.760 0.000 . 1 . . . . 16 ASN ND2 . 15605 1 197 . 1 1 17 17 TRP H H 1 7.820 0.000 . 1 . . . . 17 TRP H . 15605 1 198 . 1 1 17 17 TRP HA H 1 4.640 0.000 . 1 . . . . 17 TRP HA . 15605 1 199 . 1 1 17 17 TRP HB2 H 1 3.370 0.000 . 2 . . . . 17 TRP HB2 . 15605 1 200 . 1 1 17 17 TRP HB3 H 1 3.270 0.000 . 2 . . . . 17 TRP HB3 . 15605 1 201 . 1 1 17 17 TRP HD1 H 1 7.220 0.000 . 1 . . . . 17 TRP HD1 . 15605 1 202 . 1 1 17 17 TRP HE1 H 1 10.280 0.000 . 1 . . . . 17 TRP HE1 . 15605 1 203 . 1 1 17 17 TRP HE3 H 1 7.450 0.000 . 1 . . . . 17 TRP HE3 . 15605 1 204 . 1 1 17 17 TRP HH2 H 1 7.020 0.000 . 1 . . . . 17 TRP HH2 . 15605 1 205 . 1 1 17 17 TRP HZ2 H 1 7.360 0.000 . 1 . . . . 17 TRP HZ2 . 15605 1 206 . 1 1 17 17 TRP HZ3 H 1 6.930 0.000 . 1 . . . . 17 TRP HZ3 . 15605 1 207 . 1 1 17 17 TRP C C 13 176.880 0.000 . 1 . . . . 17 TRP C . 15605 1 208 . 1 1 17 17 TRP CA C 13 58.570 0.000 . 1 . . . . 17 TRP CA . 15605 1 209 . 1 1 17 17 TRP CB C 13 29.400 0.000 . 1 . . . . 17 TRP CB . 15605 1 210 . 1 1 17 17 TRP CD1 C 13 126.750 0.000 . 1 . . . . 17 TRP CD1 . 15605 1 211 . 1 1 17 17 TRP CE3 C 13 120.940 0.000 . 1 . . . . 17 TRP CE3 . 15605 1 212 . 1 1 17 17 TRP CH2 C 13 123.890 0.000 . 1 . . . . 17 TRP CH2 . 15605 1 213 . 1 1 17 17 TRP CZ2 C 13 114.410 0.000 . 1 . . . . 17 TRP CZ2 . 15605 1 214 . 1 1 17 17 TRP CZ3 C 13 121.350 0.000 . 1 . . . . 17 TRP CZ3 . 15605 1 215 . 1 1 17 17 TRP N N 15 119.170 0.000 . 1 . . . . 17 TRP N . 15605 1 216 . 1 1 17 17 TRP NE1 N 15 129.130 0.000 . 1 . . . . 17 TRP NE1 . 15605 1 217 . 1 1 18 18 LEU H H 1 7.790 0.000 . 1 . . . . 18 LEU H . 15605 1 218 . 1 1 18 18 LEU HA H 1 4.050 0.000 . 1 . . . . 18 LEU HA . 15605 1 219 . 1 1 18 18 LEU HB2 H 1 1.610 0.000 . 2 . . . . 18 LEU HB2 . 15605 1 220 . 1 1 18 18 LEU HB3 H 1 1.410 0.000 . 2 . . . . 18 LEU HB3 . 15605 1 221 . 1 1 18 18 LEU HG H 1 1.650 0.000 . 1 . . . . 18 LEU HG . 15605 1 222 . 1 1 18 18 LEU C C 13 177.460 0.000 . 1 . . . . 18 LEU C . 15605 1 223 . 1 1 18 18 LEU CA C 13 56.730 0.000 . 1 . . . . 18 LEU CA . 15605 1 224 . 1 1 18 18 LEU CB C 13 41.740 0.000 . 1 . . . . 18 LEU CB . 15605 1 225 . 1 1 18 18 LEU CD1 C 13 25.100 0.000 . 1 . . . . 18 LEU CD1 . 15605 1 226 . 1 1 18 18 LEU CD2 C 13 23.620 0.000 . 1 . . . . 18 LEU CD2 . 15605 1 227 . 1 1 18 18 LEU CG C 13 26.820 0.000 . 1 . . . . 18 LEU CG . 15605 1 228 . 1 1 18 18 LEU N N 15 117.640 0.000 . 1 . . . . 18 LEU N . 15605 1 229 . 1 1 19 19 TRP H H 1 7.560 0.000 . 1 . . . . 19 TRP H . 15605 1 230 . 1 1 19 19 TRP HA H 1 4.350 0.000 . 1 . . . . 19 TRP HA . 15605 1 231 . 1 1 19 19 TRP HB2 H 1 3.270 0.000 . 2 . . . . 19 TRP HB2 . 15605 1 232 . 1 1 19 19 TRP HB3 H 1 3.160 0.000 . 2 . . . . 19 TRP HB3 . 15605 1 233 . 1 1 19 19 TRP HD1 H 1 7.090 0.000 . 1 . . . . 19 TRP HD1 . 15605 1 234 . 1 1 19 19 TRP HE1 H 1 10.200 0.000 . 1 . . . . 19 TRP HE1 . 15605 1 235 . 1 1 19 19 TRP HE3 H 1 7.290 0.000 . 1 . . . . 19 TRP HE3 . 15605 1 236 . 1 1 19 19 TRP HH2 H 1 7.180 0.000 . 1 . . . . 19 TRP HH2 . 15605 1 237 . 1 1 19 19 TRP HZ2 H 1 7.460 0.000 . 1 . . . . 19 TRP HZ2 . 15605 1 238 . 1 1 19 19 TRP HZ3 H 1 7.040 0.000 . 1 . . . . 19 TRP HZ3 . 15605 1 239 . 1 1 19 19 TRP C C 13 176.340 0.000 . 1 . . . . 19 TRP C . 15605 1 240 . 1 1 19 19 TRP CA C 13 58.910 0.000 . 1 . . . . 19 TRP CA . 15605 1 241 . 1 1 19 19 TRP CB C 13 29.170 0.000 . 1 . . . . 19 TRP CB . 15605 1 242 . 1 1 19 19 TRP CD1 C 13 127.310 0.000 . 1 . . . . 19 TRP CD1 . 15605 1 243 . 1 1 19 19 TRP CE3 C 13 121.030 0.000 . 1 . . . . 19 TRP CE3 . 15605 1 244 . 1 1 19 19 TRP CH2 C 13 124.360 0.000 . 1 . . . . 19 TRP CH2 . 15605 1 245 . 1 1 19 19 TRP CZ2 C 13 114.700 0.000 . 1 . . . . 19 TRP CZ2 . 15605 1 246 . 1 1 19 19 TRP CZ3 C 13 121.330 0.000 . 1 . . . . 19 TRP CZ3 . 15605 1 247 . 1 1 19 19 TRP N N 15 117.360 0.000 . 1 . . . . 19 TRP N . 15605 1 248 . 1 1 19 19 TRP NE1 N 15 129.580 0.000 . 1 . . . . 19 TRP NE1 . 15605 1 249 . 1 1 20 20 TYR H H 1 7.480 0.000 . 1 . . . . 20 TYR H . 15605 1 250 . 1 1 20 20 TYR HA H 1 4.160 0.000 . 1 . . . . 20 TYR HA . 15605 1 251 . 1 1 20 20 TYR HB2 H 1 3.010 0.000 . 2 . . . . 20 TYR HB2 . 15605 1 252 . 1 1 20 20 TYR HB3 H 1 2.890 0.000 . 2 . . . . 20 TYR HB3 . 15605 1 253 . 1 1 20 20 TYR HD1 H 1 7.140 0.000 . 1 . . . . 20 TYR HD1 . 15605 1 254 . 1 1 20 20 TYR HE1 H 1 6.840 0.000 . 1 . . . . 20 TYR HE1 . 15605 1 255 . 1 1 20 20 TYR C C 13 175.560 0.000 . 1 . . . . 20 TYR C . 15605 1 256 . 1 1 20 20 TYR CA C 13 59.770 0.000 . 1 . . . . 20 TYR CA . 15605 1 257 . 1 1 20 20 TYR CB C 13 39.070 0.000 . 1 . . . . 20 TYR CB . 15605 1 258 . 1 1 20 20 TYR CD1 C 13 133.080 0.000 . 1 . . . . 20 TYR CD1 . 15605 1 259 . 1 1 20 20 TYR CE1 C 13 118.280 0.000 . 1 . . . . 20 TYR CE1 . 15605 1 260 . 1 1 20 20 TYR N N 15 115.850 0.000 . 1 . . . . 20 TYR N . 15605 1 261 . 1 1 21 21 ILE H H 1 7.500 0.000 . 1 . . . . 21 ILE H . 15605 1 262 . 1 1 21 21 ILE HA H 1 4.210 0.000 . 1 . . . . 21 ILE HA . 15605 1 263 . 1 1 21 21 ILE HG12 H 1 1.500 0.000 . 2 . . . . 21 ILE HG12 . 15605 1 264 . 1 1 21 21 ILE HG13 H 1 1.260 0.000 . 2 . . . . 21 ILE HG13 . 15605 1 265 . 1 1 21 21 ILE HG21 H 1 0.930 0.000 . 1 . . . . 21 ILE HG2 . 15605 1 266 . 1 1 21 21 ILE HG22 H 1 0.930 0.000 . 1 . . . . 21 ILE HG2 . 15605 1 267 . 1 1 21 21 ILE HG23 H 1 0.930 0.000 . 1 . . . . 21 ILE HG2 . 15605 1 268 . 1 1 21 21 ILE C C 13 174.200 0.000 . 1 . . . . 21 ILE C . 15605 1 269 . 1 1 21 21 ILE CA C 13 61.100 0.000 . 1 . . . . 21 ILE CA . 15605 1 270 . 1 1 21 21 ILE CB C 13 38.810 0.000 . 1 . . . . 21 ILE CB . 15605 1 271 . 1 1 21 21 ILE CD1 C 13 13.760 0.000 . 1 . . . . 21 ILE CD1 . 15605 1 272 . 1 1 21 21 ILE CG1 C 13 27.270 0.000 . 1 . . . . 21 ILE CG1 . 15605 1 273 . 1 1 21 21 ILE CG2 C 13 18.210 0.000 . 1 . . . . 21 ILE CG2 . 15605 1 274 . 1 1 21 21 ILE N N 15 114.550 0.000 . 1 . . . . 21 ILE N . 15605 1 275 . 1 1 22 22 LYS H H 1 7.390 0.000 . 1 . . . . 22 LYS H . 15605 1 276 . 1 1 22 22 LYS HA H 1 4.120 0.000 . 1 . . . . 22 LYS HA . 15605 1 277 . 1 1 22 22 LYS HB2 H 1 1.770 0.000 . 2 . . . . 22 LYS HB2 . 15605 1 278 . 1 1 22 22 LYS HB3 H 1 1.700 0.000 . 2 . . . . 22 LYS HB3 . 15605 1 279 . 1 1 22 22 LYS HD2 H 1 1.630 0.000 . 1 . . . . 22 LYS HD2 . 15605 1 280 . 1 1 22 22 LYS HE2 H 1 2.910 0.000 . 1 . . . . 22 LYS HE2 . 15605 1 281 . 1 1 22 22 LYS HG2 H 1 1.400 0.000 . 1 . . . . 22 LYS HG2 . 15605 1 282 . 1 1 22 22 LYS C C 13 180.640 0.000 . 1 . . . . 22 LYS C . 15605 1 283 . 1 1 22 22 LYS CA C 13 57.670 0.000 . 1 . . . . 22 LYS CA . 15605 1 284 . 1 1 22 22 LYS CB C 13 33.850 0.000 . 1 . . . . 22 LYS CB . 15605 1 285 . 1 1 22 22 LYS CD C 13 29.240 0.000 . 1 . . . . 22 LYS CD . 15605 1 286 . 1 1 22 22 LYS CE C 13 42.060 0.000 . 1 . . . . 22 LYS CE . 15605 1 287 . 1 1 22 22 LYS CG C 13 24.700 0.000 . 1 . . . . 22 LYS CG . 15605 1 288 . 1 1 22 22 LYS N N 15 126.800 0.000 . 1 . . . . 22 LYS N . 15605 1 stop_ save_