################################### # 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_chemical_shift_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_1 _Assigned_chem_shift_list.Entry_ID 10154 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $condition_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $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 '3D 13C-separated NOESY' 1 $sample_1 isotropic 10154 1 2 '3D 15N-separated NOESY' 1 $sample_1 isotropic 10154 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 7 7 GLY CA C 13 45.660 0.300 . 1 . . . . 7 GLY CA . 10154 1 2 . 1 1 7 7 GLY HA2 H 1 3.931 0.030 . 1 . . . . 7 GLY HA2 . 10154 1 3 . 1 1 7 7 GLY HA3 H 1 3.931 0.030 . 1 . . . . 7 GLY HA3 . 10154 1 4 . 1 1 7 7 GLY C C 13 174.138 0.300 . 1 . . . . 7 GLY C . 10154 1 5 . 1 1 8 8 GLN N N 15 119.891 0.300 . 1 . . . . 8 GLN N . 10154 1 6 . 1 1 8 8 GLN H H 1 8.206 0.030 . 1 . . . . 8 GLN H . 10154 1 7 . 1 1 8 8 GLN CA C 13 55.820 0.300 . 1 . . . . 8 GLN CA . 10154 1 8 . 1 1 8 8 GLN HA H 1 4.341 0.030 . 1 . . . . 8 GLN HA . 10154 1 9 . 1 1 8 8 GLN CB C 13 29.497 0.300 . 1 . . . . 8 GLN CB . 10154 1 10 . 1 1 8 8 GLN HB2 H 1 2.116 0.030 . 2 . . . . 8 GLN HB2 . 10154 1 11 . 1 1 8 8 GLN HB3 H 1 1.989 0.030 . 2 . . . . 8 GLN HB3 . 10154 1 12 . 1 1 8 8 GLN CG C 13 33.760 0.300 . 1 . . . . 8 GLN CG . 10154 1 13 . 1 1 8 8 GLN HG2 H 1 2.365 0.030 . 1 . . . . 8 GLN HG2 . 10154 1 14 . 1 1 8 8 GLN HG3 H 1 2.365 0.030 . 1 . . . . 8 GLN HG3 . 10154 1 15 . 1 1 8 8 GLN NE2 N 15 111.139 0.300 . 1 . . . . 8 GLN NE2 . 10154 1 16 . 1 1 8 8 GLN HE21 H 1 7.468 0.030 . 2 . . . . 8 GLN HE21 . 10154 1 17 . 1 1 8 8 GLN HE22 H 1 6.851 0.030 . 2 . . . . 8 GLN HE22 . 10154 1 18 . 1 1 8 8 GLN C C 13 176.071 0.300 . 1 . . . . 8 GLN C . 10154 1 19 . 1 1 9 9 LYS N N 15 122.781 0.300 . 1 . . . . 9 LYS N . 10154 1 20 . 1 1 9 9 LYS H H 1 8.408 0.030 . 1 . . . . 9 LYS H . 10154 1 21 . 1 1 9 9 LYS CA C 13 56.490 0.300 . 1 . . . . 9 LYS CA . 10154 1 22 . 1 1 9 9 LYS HA H 1 4.292 0.030 . 1 . . . . 9 LYS HA . 10154 1 23 . 1 1 9 9 LYS CB C 13 33.055 0.300 . 1 . . . . 9 LYS CB . 10154 1 24 . 1 1 9 9 LYS HB2 H 1 1.841 0.030 . 2 . . . . 9 LYS HB2 . 10154 1 25 . 1 1 9 9 LYS HB3 H 1 1.765 0.030 . 2 . . . . 9 LYS HB3 . 10154 1 26 . 1 1 9 9 LYS CG C 13 24.658 0.300 . 1 . . . . 9 LYS CG . 10154 1 27 . 1 1 9 9 LYS HG2 H 1 1.454 0.030 . 1 . . . . 9 LYS HG2 . 10154 1 28 . 1 1 9 9 LYS HG3 H 1 1.454 0.030 . 1 . . . . 9 LYS HG3 . 10154 1 29 . 1 1 9 9 LYS CD C 13 29.068 0.300 . 1 . . . . 9 LYS CD . 10154 1 30 . 1 1 9 9 LYS HD2 H 1 1.705 0.030 . 1 . . . . 9 LYS HD2 . 10154 1 31 . 1 1 9 9 LYS HD3 H 1 1.705 0.030 . 1 . . . . 9 LYS HD3 . 10154 1 32 . 1 1 9 9 LYS CE C 13 42.149 0.300 . 1 . . . . 9 LYS CE . 10154 1 33 . 1 1 9 9 LYS HE2 H 1 2.978 0.030 . 1 . . . . 9 LYS HE2 . 10154 1 34 . 1 1 9 9 LYS HE3 H 1 2.978 0.030 . 1 . . . . 9 LYS HE3 . 10154 1 35 . 1 1 9 9 LYS C C 13 176.568 0.300 . 1 . . . . 9 LYS C . 10154 1 36 . 1 1 10 10 GLU N N 15 121.884 0.300 . 1 . . . . 10 GLU N . 10154 1 37 . 1 1 10 10 GLU H H 1 8.435 0.030 . 1 . . . . 10 GLU H . 10154 1 38 . 1 1 10 10 GLU CA C 13 56.644 0.300 . 1 . . . . 10 GLU CA . 10154 1 39 . 1 1 10 10 GLU HA H 1 4.239 0.030 . 1 . . . . 10 GLU HA . 10154 1 40 . 1 1 10 10 GLU CB C 13 30.349 0.300 . 1 . . . . 10 GLU CB . 10154 1 41 . 1 1 10 10 GLU HB2 H 1 2.023 0.030 . 2 . . . . 10 GLU HB2 . 10154 1 42 . 1 1 10 10 GLU HB3 H 1 1.930 0.030 . 2 . . . . 10 GLU HB3 . 10154 1 43 . 1 1 10 10 GLU CG C 13 36.310 0.300 . 1 . . . . 10 GLU CG . 10154 1 44 . 1 1 10 10 GLU HG2 H 1 2.270 0.030 . 1 . . . . 10 GLU HG2 . 10154 1 45 . 1 1 10 10 GLU HG3 H 1 2.270 0.030 . 1 . . . . 10 GLU HG3 . 10154 1 46 . 1 1 10 10 GLU C C 13 176.223 0.300 . 1 . . . . 10 GLU C . 10154 1 47 . 1 1 11 11 LYS N N 15 122.536 0.300 . 1 . . . . 11 LYS N . 10154 1 48 . 1 1 11 11 LYS H H 1 8.406 0.030 . 1 . . . . 11 LYS H . 10154 1 49 . 1 1 11 11 LYS CA C 13 56.095 0.300 . 1 . . . . 11 LYS CA . 10154 1 50 . 1 1 11 11 LYS HA H 1 4.235 0.030 . 1 . . . . 11 LYS HA . 10154 1 51 . 1 1 11 11 LYS CB C 13 32.883 0.300 . 1 . . . . 11 LYS CB . 10154 1 52 . 1 1 11 11 LYS HB2 H 1 1.698 0.030 . 1 . . . . 11 LYS HB2 . 10154 1 53 . 1 1 11 11 LYS HB3 H 1 1.698 0.030 . 1 . . . . 11 LYS HB3 . 10154 1 54 . 1 1 11 11 LYS CG C 13 24.889 0.300 . 1 . . . . 11 LYS CG . 10154 1 55 . 1 1 11 11 LYS HG2 H 1 1.395 0.030 . 2 . . . . 11 LYS HG2 . 10154 1 56 . 1 1 11 11 LYS HG3 H 1 1.282 0.030 . 2 . . . . 11 LYS HG3 . 10154 1 57 . 1 1 11 11 LYS CD C 13 29.156 0.300 . 1 . . . . 11 LYS CD . 10154 1 58 . 1 1 11 11 LYS HD2 H 1 1.654 0.030 . 2 . . . . 11 LYS HD2 . 10154 1 59 . 1 1 11 11 LYS HD3 H 1 1.566 0.030 . 2 . . . . 11 LYS HD3 . 10154 1 60 . 1 1 11 11 LYS CE C 13 42.157 0.300 . 1 . . . . 11 LYS CE . 10154 1 61 . 1 1 11 11 LYS HE2 H 1 2.929 0.030 . 1 . . . . 11 LYS HE2 . 10154 1 62 . 1 1 11 11 LYS HE3 H 1 2.929 0.030 . 1 . . . . 11 LYS HE3 . 10154 1 63 . 1 1 11 11 LYS C C 13 175.448 0.300 . 1 . . . . 11 LYS C . 10154 1 64 . 1 1 12 12 CYS N N 15 119.041 0.300 . 1 . . . . 12 CYS N . 10154 1 65 . 1 1 12 12 CYS H H 1 7.970 0.030 . 1 . . . . 12 CYS H . 10154 1 66 . 1 1 12 12 CYS CA C 13 57.850 0.300 . 1 . . . . 12 CYS CA . 10154 1 67 . 1 1 12 12 CYS HA H 1 4.523 0.030 . 1 . . . . 12 CYS HA . 10154 1 68 . 1 1 12 12 CYS CB C 13 28.790 0.300 . 1 . . . . 12 CYS CB . 10154 1 69 . 1 1 12 12 CYS HB2 H 1 2.720 0.030 . 1 . . . . 12 CYS HB2 . 10154 1 70 . 1 1 12 12 CYS HB3 H 1 2.720 0.030 . 1 . . . . 12 CYS HB3 . 10154 1 71 . 1 1 12 12 CYS C C 13 173.137 0.300 . 1 . . . . 12 CYS C . 10154 1 72 . 1 1 13 13 PHE N N 15 123.659 0.300 . 1 . . . . 13 PHE N . 10154 1 73 . 1 1 13 13 PHE H H 1 8.796 0.030 . 1 . . . . 13 PHE H . 10154 1 74 . 1 1 13 13 PHE CA C 13 57.405 0.300 . 1 . . . . 13 PHE CA . 10154 1 75 . 1 1 13 13 PHE HA H 1 4.636 0.030 . 1 . . . . 13 PHE HA . 10154 1 76 . 1 1 13 13 PHE CB C 13 39.505 0.300 . 1 . . . . 13 PHE CB . 10154 1 77 . 1 1 13 13 PHE HB2 H 1 2.975 0.030 . 2 . . . . 13 PHE HB2 . 10154 1 78 . 1 1 13 13 PHE HB3 H 1 2.943 0.030 . 2 . . . . 13 PHE HB3 . 10154 1 79 . 1 1 13 13 PHE CD1 C 13 131.600 0.300 . 1 . . . . 13 PHE CD1 . 10154 1 80 . 1 1 13 13 PHE HD1 H 1 7.141 0.030 . 1 . . . . 13 PHE HD1 . 10154 1 81 . 1 1 13 13 PHE CD2 C 13 131.600 0.300 . 1 . . . . 13 PHE CD2 . 10154 1 82 . 1 1 13 13 PHE HD2 H 1 7.141 0.030 . 1 . . . . 13 PHE HD2 . 10154 1 83 . 1 1 13 13 PHE CE1 C 13 131.565 0.300 . 1 . . . . 13 PHE CE1 . 10154 1 84 . 1 1 13 13 PHE HE1 H 1 7.343 0.030 . 1 . . . . 13 PHE HE1 . 10154 1 85 . 1 1 13 13 PHE CE2 C 13 131.565 0.300 . 1 . . . . 13 PHE CE2 . 10154 1 86 . 1 1 13 13 PHE HE2 H 1 7.343 0.030 . 1 . . . . 13 PHE HE2 . 10154 1 87 . 1 1 13 13 PHE CZ C 13 130.065 0.300 . 1 . . . . 13 PHE CZ . 10154 1 88 . 1 1 13 13 PHE HZ H 1 7.350 0.030 . 1 . . . . 13 PHE HZ . 10154 1 89 . 1 1 13 13 PHE C C 13 174.193 0.300 . 1 . . . . 13 PHE C . 10154 1 90 . 1 1 14 14 LYS N N 15 125.302 0.300 . 1 . . . . 14 LYS N . 10154 1 91 . 1 1 14 14 LYS H H 1 8.659 0.030 . 1 . . . . 14 LYS H . 10154 1 92 . 1 1 14 14 LYS CA C 13 55.196 0.300 . 1 . . . . 14 LYS CA . 10154 1 93 . 1 1 14 14 LYS HA H 1 4.831 0.030 . 1 . . . . 14 LYS HA . 10154 1 94 . 1 1 14 14 LYS CB C 13 35.042 0.300 . 1 . . . . 14 LYS CB . 10154 1 95 . 1 1 14 14 LYS HB2 H 1 1.797 0.030 . 2 . . . . 14 LYS HB2 . 10154 1 96 . 1 1 14 14 LYS HB3 H 1 1.623 0.030 . 2 . . . . 14 LYS HB3 . 10154 1 97 . 1 1 14 14 LYS CG C 13 24.314 0.300 . 1 . . . . 14 LYS CG . 10154 1 98 . 1 1 14 14 LYS HG2 H 1 1.409 0.030 . 2 . . . . 14 LYS HG2 . 10154 1 99 . 1 1 14 14 LYS HG3 H 1 1.257 0.030 . 2 . . . . 14 LYS HG3 . 10154 1 100 . 1 1 14 14 LYS CD C 13 29.073 0.300 . 1 . . . . 14 LYS CD . 10154 1 101 . 1 1 14 14 LYS HD2 H 1 1.656 0.030 . 2 . . . . 14 LYS HD2 . 10154 1 102 . 1 1 14 14 LYS CE C 13 42.151 0.300 . 1 . . . . 14 LYS CE . 10154 1 103 . 1 1 14 14 LYS HE2 H 1 2.930 0.030 . 1 . . . . 14 LYS HE2 . 10154 1 104 . 1 1 14 14 LYS HE3 H 1 2.930 0.030 . 1 . . . . 14 LYS HE3 . 10154 1 105 . 1 1 14 14 LYS C C 13 175.026 0.300 . 1 . . . . 14 LYS C . 10154 1 106 . 1 1 15 15 CYS N N 15 127.929 0.300 . 1 . . . . 15 CYS N . 10154 1 107 . 1 1 15 15 CYS H H 1 8.710 0.030 . 1 . . . . 15 CYS H . 10154 1 108 . 1 1 15 15 CYS CA C 13 60.083 0.300 . 1 . . . . 15 CYS CA . 10154 1 109 . 1 1 15 15 CYS HA H 1 4.578 0.030 . 1 . . . . 15 CYS HA . 10154 1 110 . 1 1 15 15 CYS CB C 13 29.646 0.300 . 1 . . . . 15 CYS CB . 10154 1 111 . 1 1 15 15 CYS HB2 H 1 2.834 0.030 . 2 . . . . 15 CYS HB2 . 10154 1 112 . 1 1 15 15 CYS HB3 H 1 3.397 0.030 . 2 . . . . 15 CYS HB3 . 10154 1 113 . 1 1 15 15 CYS C C 13 175.715 0.300 . 1 . . . . 15 CYS C . 10154 1 114 . 1 1 16 16 ASN N N 15 126.460 0.300 . 1 . . . . 16 ASN N . 10154 1 115 . 1 1 16 16 ASN H H 1 9.033 0.030 . 1 . . . . 16 ASN H . 10154 1 116 . 1 1 16 16 ASN CA C 13 54.820 0.300 . 1 . . . . 16 ASN CA . 10154 1 117 . 1 1 16 16 ASN HA H 1 4.728 0.030 . 1 . . . . 16 ASN HA . 10154 1 118 . 1 1 16 16 ASN CB C 13 38.681 0.300 . 1 . . . . 16 ASN CB . 10154 1 119 . 1 1 16 16 ASN HB2 H 1 2.999 0.030 . 2 . . . . 16 ASN HB2 . 10154 1 120 . 1 1 16 16 ASN HB3 H 1 2.902 0.030 . 2 . . . . 16 ASN HB3 . 10154 1 121 . 1 1 16 16 ASN ND2 N 15 112.648 0.300 . 1 . . . . 16 ASN ND2 . 10154 1 122 . 1 1 16 16 ASN HD21 H 1 7.715 0.030 . 2 . . . . 16 ASN HD21 . 10154 1 123 . 1 1 16 16 ASN HD22 H 1 6.961 0.030 . 2 . . . . 16 ASN HD22 . 10154 1 124 . 1 1 16 16 ASN C C 13 176.123 0.300 . 1 . . . . 16 ASN C . 10154 1 125 . 1 1 17 17 LYS N N 15 121.823 0.300 . 1 . . . . 17 LYS N . 10154 1 126 . 1 1 17 17 LYS H H 1 9.444 0.030 . 1 . . . . 17 LYS H . 10154 1 127 . 1 1 17 17 LYS CA C 13 56.577 0.300 . 1 . . . . 17 LYS CA . 10154 1 128 . 1 1 17 17 LYS HA H 1 4.368 0.030 . 1 . . . . 17 LYS HA . 10154 1 129 . 1 1 17 17 LYS CB C 13 33.308 0.300 . 1 . . . . 17 LYS CB . 10154 1 130 . 1 1 17 17 LYS HB2 H 1 0.839 0.030 . 2 . . . . 17 LYS HB2 . 10154 1 131 . 1 1 17 17 LYS HB3 H 1 1.241 0.030 . 2 . . . . 17 LYS HB3 . 10154 1 132 . 1 1 17 17 LYS CG C 13 25.123 0.300 . 1 . . . . 17 LYS CG . 10154 1 133 . 1 1 17 17 LYS HG2 H 1 1.236 0.030 . 2 . . . . 17 LYS HG2 . 10154 1 134 . 1 1 17 17 LYS HG3 H 1 1.200 0.030 . 2 . . . . 17 LYS HG3 . 10154 1 135 . 1 1 17 17 LYS CD C 13 28.784 0.300 . 1 . . . . 17 LYS CD . 10154 1 136 . 1 1 17 17 LYS HD2 H 1 1.477 0.030 . 2 . . . . 17 LYS HD2 . 10154 1 137 . 1 1 17 17 LYS HD3 H 1 1.395 0.030 . 2 . . . . 17 LYS HD3 . 10154 1 138 . 1 1 17 17 LYS CE C 13 42.129 0.300 . 1 . . . . 17 LYS CE . 10154 1 139 . 1 1 17 17 LYS HE2 H 1 2.931 0.030 . 1 . . . . 17 LYS HE2 . 10154 1 140 . 1 1 17 17 LYS HE3 H 1 2.931 0.030 . 1 . . . . 17 LYS HE3 . 10154 1 141 . 1 1 17 17 LYS C C 13 176.102 0.300 . 1 . . . . 17 LYS C . 10154 1 142 . 1 1 18 18 CYS N N 15 118.544 0.300 . 1 . . . . 18 CYS N . 10154 1 143 . 1 1 18 18 CYS H H 1 7.918 0.030 . 1 . . . . 18 CYS H . 10154 1 144 . 1 1 18 18 CYS CA C 13 58.610 0.300 . 1 . . . . 18 CYS CA . 10154 1 145 . 1 1 18 18 CYS HA H 1 5.016 0.030 . 1 . . . . 18 CYS HA . 10154 1 146 . 1 1 18 18 CYS CB C 13 30.648 0.300 . 1 . . . . 18 CYS CB . 10154 1 147 . 1 1 18 18 CYS HB2 H 1 3.104 0.030 . 2 . . . . 18 CYS HB2 . 10154 1 148 . 1 1 18 18 CYS HB3 H 1 3.378 0.030 . 2 . . . . 18 CYS HB3 . 10154 1 149 . 1 1 18 18 CYS C C 13 173.625 0.300 . 1 . . . . 18 CYS C . 10154 1 150 . 1 1 19 19 GLU N N 15 115.419 0.300 . 1 . . . . 19 GLU N . 10154 1 151 . 1 1 19 19 GLU H H 1 8.498 0.030 . 1 . . . . 19 GLU H . 10154 1 152 . 1 1 19 19 GLU CA C 13 57.672 0.300 . 1 . . . . 19 GLU CA . 10154 1 153 . 1 1 19 19 GLU HA H 1 4.229 0.030 . 1 . . . . 19 GLU HA . 10154 1 154 . 1 1 19 19 GLU CB C 13 28.577 0.300 . 1 . . . . 19 GLU CB . 10154 1 155 . 1 1 19 19 GLU HB2 H 1 2.211 0.030 . 2 . . . . 19 GLU HB2 . 10154 1 156 . 1 1 19 19 GLU HB3 H 1 2.177 0.030 . 2 . . . . 19 GLU HB3 . 10154 1 157 . 1 1 19 19 GLU CG C 13 36.216 0.300 . 1 . . . . 19 GLU CG . 10154 1 158 . 1 1 19 19 GLU HG2 H 1 2.303 0.030 . 2 . . . . 19 GLU HG2 . 10154 1 159 . 1 1 19 19 GLU HG3 H 1 2.141 0.030 . 2 . . . . 19 GLU HG3 . 10154 1 160 . 1 1 19 19 GLU C C 13 176.219 0.300 . 1 . . . . 19 GLU C . 10154 1 161 . 1 1 20 20 LYS N N 15 122.785 0.300 . 1 . . . . 20 LYS N . 10154 1 162 . 1 1 20 20 LYS H H 1 8.283 0.030 . 1 . . . . 20 LYS H . 10154 1 163 . 1 1 20 20 LYS CA C 13 58.127 0.300 . 1 . . . . 20 LYS CA . 10154 1 164 . 1 1 20 20 LYS HA H 1 4.033 0.030 . 1 . . . . 20 LYS HA . 10154 1 165 . 1 1 20 20 LYS CB C 13 33.528 0.300 . 1 . . . . 20 LYS CB . 10154 1 166 . 1 1 20 20 LYS HB2 H 1 1.390 0.030 . 2 . . . . 20 LYS HB2 . 10154 1 167 . 1 1 20 20 LYS HB3 H 1 1.273 0.030 . 2 . . . . 20 LYS HB3 . 10154 1 168 . 1 1 20 20 LYS CG C 13 26.493 0.300 . 1 . . . . 20 LYS CG . 10154 1 169 . 1 1 20 20 LYS HG2 H 1 1.530 0.030 . 2 . . . . 20 LYS HG2 . 10154 1 170 . 1 1 20 20 LYS HG3 H 1 1.352 0.030 . 2 . . . . 20 LYS HG3 . 10154 1 171 . 1 1 20 20 LYS CD C 13 28.911 0.300 . 1 . . . . 20 LYS CD . 10154 1 172 . 1 1 20 20 LYS HD2 H 1 1.544 0.030 . 1 . . . . 20 LYS HD2 . 10154 1 173 . 1 1 20 20 LYS HD3 H 1 1.544 0.030 . 1 . . . . 20 LYS HD3 . 10154 1 174 . 1 1 20 20 LYS CE C 13 42.326 0.300 . 1 . . . . 20 LYS CE . 10154 1 175 . 1 1 20 20 LYS HE2 H 1 3.037 0.030 . 2 . . . . 20 LYS HE2 . 10154 1 176 . 1 1 20 20 LYS HE3 H 1 2.992 0.030 . 2 . . . . 20 LYS HE3 . 10154 1 177 . 1 1 20 20 LYS C C 13 174.855 0.300 . 1 . . . . 20 LYS C . 10154 1 178 . 1 1 21 21 THR N N 15 110.456 0.300 . 1 . . . . 21 THR N . 10154 1 179 . 1 1 21 21 THR H H 1 7.497 0.030 . 1 . . . . 21 THR H . 10154 1 180 . 1 1 21 21 THR CA C 13 59.617 0.300 . 1 . . . . 21 THR CA . 10154 1 181 . 1 1 21 21 THR HA H 1 5.051 0.030 . 1 . . . . 21 THR HA . 10154 1 182 . 1 1 21 21 THR CB C 13 71.680 0.300 . 1 . . . . 21 THR CB . 10154 1 183 . 1 1 21 21 THR HB H 1 4.008 0.030 . 1 . . . . 21 THR HB . 10154 1 184 . 1 1 21 21 THR CG2 C 13 21.747 0.300 . 1 . . . . 21 THR CG2 . 10154 1 185 . 1 1 21 21 THR HG21 H 1 1.089 0.030 . 1 . . . . 21 THR HG2 . 10154 1 186 . 1 1 21 21 THR HG22 H 1 1.089 0.030 . 1 . . . . 21 THR HG2 . 10154 1 187 . 1 1 21 21 THR HG23 H 1 1.089 0.030 . 1 . . . . 21 THR HG2 . 10154 1 188 . 1 1 21 21 THR C C 13 173.142 0.300 . 1 . . . . 21 THR C . 10154 1 189 . 1 1 22 22 PHE N N 15 117.251 0.300 . 1 . . . . 22 PHE N . 10154 1 190 . 1 1 22 22 PHE H H 1 8.746 0.030 . 1 . . . . 22 PHE H . 10154 1 191 . 1 1 22 22 PHE CA C 13 57.180 0.300 . 1 . . . . 22 PHE CA . 10154 1 192 . 1 1 22 22 PHE HA H 1 4.963 0.030 . 1 . . . . 22 PHE HA . 10154 1 193 . 1 1 22 22 PHE CB C 13 44.791 0.300 . 1 . . . . 22 PHE CB . 10154 1 194 . 1 1 22 22 PHE HB2 H 1 2.818 0.030 . 2 . . . . 22 PHE HB2 . 10154 1 195 . 1 1 22 22 PHE HB3 H 1 3.515 0.030 . 2 . . . . 22 PHE HB3 . 10154 1 196 . 1 1 22 22 PHE CD1 C 13 132.260 0.300 . 1 . . . . 22 PHE CD1 . 10154 1 197 . 1 1 22 22 PHE HD1 H 1 7.283 0.030 . 1 . . . . 22 PHE HD1 . 10154 1 198 . 1 1 22 22 PHE CD2 C 13 132.260 0.300 . 1 . . . . 22 PHE CD2 . 10154 1 199 . 1 1 22 22 PHE HD2 H 1 7.283 0.030 . 1 . . . . 22 PHE HD2 . 10154 1 200 . 1 1 22 22 PHE CE1 C 13 130.884 0.300 . 1 . . . . 22 PHE CE1 . 10154 1 201 . 1 1 22 22 PHE HE1 H 1 6.885 0.030 . 1 . . . . 22 PHE HE1 . 10154 1 202 . 1 1 22 22 PHE CE2 C 13 130.884 0.300 . 1 . . . . 22 PHE CE2 . 10154 1 203 . 1 1 22 22 PHE HE2 H 1 6.885 0.030 . 1 . . . . 22 PHE HE2 . 10154 1 204 . 1 1 22 22 PHE CZ C 13 129.256 0.300 . 1 . . . . 22 PHE CZ . 10154 1 205 . 1 1 22 22 PHE HZ H 1 6.241 0.030 . 1 . . . . 22 PHE HZ . 10154 1 206 . 1 1 22 22 PHE C C 13 176.046 0.300 . 1 . . . . 22 PHE C . 10154 1 207 . 1 1 23 23 SER CA C 13 59.336 0.300 . 1 . . . . 23 SER CA . 10154 1 208 . 1 1 23 23 SER HA H 1 4.754 0.030 . 1 . . . . 23 SER HA . 10154 1 209 . 1 1 23 23 SER CB C 13 64.271 0.300 . 1 . . . . 23 SER CB . 10154 1 210 . 1 1 23 23 SER HB2 H 1 4.226 0.030 . 2 . . . . 23 SER HB2 . 10154 1 211 . 1 1 23 23 SER HB3 H 1 4.035 0.030 . 2 . . . . 23 SER HB3 . 10154 1 212 . 1 1 24 24 CYS N N 15 113.033 0.300 . 1 . . . . 24 CYS N . 10154 1 213 . 1 1 24 24 CYS H H 1 7.330 0.030 . 1 . . . . 24 CYS H . 10154 1 214 . 1 1 24 24 CYS CA C 13 56.095 0.300 . 1 . . . . 24 CYS CA . 10154 1 215 . 1 1 24 24 CYS HA H 1 4.482 0.030 . 1 . . . . 24 CYS HA . 10154 1 216 . 1 1 24 24 CYS CB C 13 30.326 0.300 . 1 . . . . 24 CYS CB . 10154 1 217 . 1 1 24 24 CYS HB2 H 1 2.989 0.030 . 2 . . . . 24 CYS HB2 . 10154 1 218 . 1 1 24 24 CYS HB3 H 1 2.756 0.030 . 2 . . . . 24 CYS HB3 . 10154 1 219 . 1 1 25 25 SER CA C 13 60.983 0.300 . 1 . . . . 25 SER CA . 10154 1 220 . 1 1 25 25 SER HA H 1 3.348 0.030 . 1 . . . . 25 SER HA . 10154 1 221 . 1 1 25 25 SER CB C 13 62.224 0.300 . 1 . . . . 25 SER CB . 10154 1 222 . 1 1 25 25 SER HB2 H 1 3.410 0.030 . 2 . . . . 25 SER HB2 . 10154 1 223 . 1 1 25 25 SER HB3 H 1 3.619 0.030 . 2 . . . . 25 SER HB3 . 10154 1 224 . 1 1 26 26 LYS H H 1 8.166 0.030 . 1 . . . . 26 LYS H . 10154 1 225 . 1 1 26 26 LYS CA C 13 59.574 0.300 . 1 . . . . 26 LYS CA . 10154 1 226 . 1 1 26 26 LYS HA H 1 3.971 0.030 . 1 . . . . 26 LYS HA . 10154 1 227 . 1 1 26 26 LYS CB C 13 31.930 0.300 . 1 . . . . 26 LYS CB . 10154 1 228 . 1 1 26 26 LYS HB2 H 1 1.504 0.030 . 2 . . . . 26 LYS HB2 . 10154 1 229 . 1 1 26 26 LYS HB3 H 1 1.788 0.030 . 2 . . . . 26 LYS HB3 . 10154 1 230 . 1 1 26 26 LYS CG C 13 24.580 0.300 . 1 . . . . 26 LYS CG . 10154 1 231 . 1 1 26 26 LYS HG2 H 1 1.109 0.030 . 2 . . . . 26 LYS HG2 . 10154 1 232 . 1 1 26 26 LYS HG3 H 1 1.248 0.030 . 2 . . . . 26 LYS HG3 . 10154 1 233 . 1 1 26 26 LYS CD C 13 29.281 0.300 . 1 . . . . 26 LYS CD . 10154 1 234 . 1 1 26 26 LYS HD2 H 1 1.553 0.030 . 1 . . . . 26 LYS HD2 . 10154 1 235 . 1 1 26 26 LYS HD3 H 1 1.553 0.030 . 1 . . . . 26 LYS HD3 . 10154 1 236 . 1 1 26 26 LYS CE C 13 41.989 0.300 . 1 . . . . 26 LYS CE . 10154 1 237 . 1 1 26 26 LYS HE2 H 1 2.832 0.030 . 1 . . . . 26 LYS HE2 . 10154 1 238 . 1 1 26 26 LYS HE3 H 1 2.832 0.030 . 1 . . . . 26 LYS HE3 . 10154 1 239 . 1 1 26 26 LYS C C 13 178.526 0.300 . 1 . . . . 26 LYS C . 10154 1 240 . 1 1 27 27 TYR N N 15 117.062 0.300 . 1 . . . . 27 TYR N . 10154 1 241 . 1 1 27 27 TYR H H 1 6.995 0.030 . 1 . . . . 27 TYR H . 10154 1 242 . 1 1 27 27 TYR CA C 13 57.700 0.300 . 1 . . . . 27 TYR CA . 10154 1 243 . 1 1 27 27 TYR HA H 1 4.498 0.030 . 1 . . . . 27 TYR HA . 10154 1 244 . 1 1 27 27 TYR CB C 13 36.779 0.300 . 1 . . . . 27 TYR CB . 10154 1 245 . 1 1 27 27 TYR HB2 H 1 3.037 0.030 . 2 . . . . 27 TYR HB2 . 10154 1 246 . 1 1 27 27 TYR HB3 H 1 3.375 0.030 . 2 . . . . 27 TYR HB3 . 10154 1 247 . 1 1 27 27 TYR CD1 C 13 131.840 0.300 . 1 . . . . 27 TYR CD1 . 10154 1 248 . 1 1 27 27 TYR HD1 H 1 7.190 0.030 . 1 . . . . 27 TYR HD1 . 10154 1 249 . 1 1 27 27 TYR CD2 C 13 131.840 0.300 . 1 . . . . 27 TYR CD2 . 10154 1 250 . 1 1 27 27 TYR HD2 H 1 7.190 0.030 . 1 . . . . 27 TYR HD2 . 10154 1 251 . 1 1 27 27 TYR CE1 C 13 118.595 0.300 . 1 . . . . 27 TYR CE1 . 10154 1 252 . 1 1 27 27 TYR HE1 H 1 6.892 0.030 . 1 . . . . 27 TYR HE1 . 10154 1 253 . 1 1 27 27 TYR CE2 C 13 118.595 0.300 . 1 . . . . 27 TYR CE2 . 10154 1 254 . 1 1 27 27 TYR HE2 H 1 6.892 0.030 . 1 . . . . 27 TYR HE2 . 10154 1 255 . 1 1 27 27 TYR C C 13 178.560 0.300 . 1 . . . . 27 TYR C . 10154 1 256 . 1 1 28 28 LEU N N 15 122.433 0.300 . 1 . . . . 28 LEU N . 10154 1 257 . 1 1 28 28 LEU H H 1 7.156 0.030 . 1 . . . . 28 LEU H . 10154 1 258 . 1 1 28 28 LEU CA C 13 58.234 0.300 . 1 . . . . 28 LEU CA . 10154 1 259 . 1 1 28 28 LEU HA H 1 3.396 0.030 . 1 . . . . 28 LEU HA . 10154 1 260 . 1 1 28 28 LEU CB C 13 40.519 0.300 . 1 . . . . 28 LEU CB . 10154 1 261 . 1 1 28 28 LEU HB2 H 1 1.315 0.030 . 2 . . . . 28 LEU HB2 . 10154 1 262 . 1 1 28 28 LEU HB3 H 1 2.050 0.030 . 2 . . . . 28 LEU HB3 . 10154 1 263 . 1 1 28 28 LEU CG C 13 27.538 0.300 . 1 . . . . 28 LEU CG . 10154 1 264 . 1 1 28 28 LEU HG H 1 1.615 0.030 . 1 . . . . 28 LEU HG . 10154 1 265 . 1 1 28 28 LEU CD1 C 13 22.779 0.300 . 2 . . . . 28 LEU CD1 . 10154 1 266 . 1 1 28 28 LEU HD11 H 1 1.063 0.030 . 1 . . . . 28 LEU HD1 . 10154 1 267 . 1 1 28 28 LEU HD12 H 1 1.063 0.030 . 1 . . . . 28 LEU HD1 . 10154 1 268 . 1 1 28 28 LEU HD13 H 1 1.063 0.030 . 1 . . . . 28 LEU HD1 . 10154 1 269 . 1 1 28 28 LEU CD2 C 13 26.572 0.300 . 2 . . . . 28 LEU CD2 . 10154 1 270 . 1 1 28 28 LEU HD21 H 1 1.055 0.030 . 1 . . . . 28 LEU HD2 . 10154 1 271 . 1 1 28 28 LEU HD22 H 1 1.055 0.030 . 1 . . . . 28 LEU HD2 . 10154 1 272 . 1 1 28 28 LEU HD23 H 1 1.055 0.030 . 1 . . . . 28 LEU HD2 . 10154 1 273 . 1 1 28 28 LEU C C 13 177.446 0.300 . 1 . . . . 28 LEU C . 10154 1 274 . 1 1 29 29 THR N N 15 115.799 0.300 . 1 . . . . 29 THR N . 10154 1 275 . 1 1 29 29 THR H H 1 8.543 0.030 . 1 . . . . 29 THR H . 10154 1 276 . 1 1 29 29 THR CA C 13 66.539 0.300 . 1 . . . . 29 THR CA . 10154 1 277 . 1 1 29 29 THR HA H 1 3.972 0.030 . 1 . . . . 29 THR HA . 10154 1 278 . 1 1 29 29 THR CB C 13 68.701 0.300 . 1 . . . . 29 THR CB . 10154 1 279 . 1 1 29 29 THR HB H 1 4.128 0.030 . 1 . . . . 29 THR HB . 10154 1 280 . 1 1 29 29 THR CG2 C 13 21.862 0.300 . 1 . . . . 29 THR CG2 . 10154 1 281 . 1 1 29 29 THR HG21 H 1 1.225 0.030 . 1 . . . . 29 THR HG2 . 10154 1 282 . 1 1 29 29 THR HG22 H 1 1.225 0.030 . 1 . . . . 29 THR HG2 . 10154 1 283 . 1 1 29 29 THR HG23 H 1 1.225 0.030 . 1 . . . . 29 THR HG2 . 10154 1 284 . 1 1 29 29 THR C C 13 177.042 0.300 . 1 . . . . 29 THR C . 10154 1 285 . 1 1 30 30 GLN N N 15 118.831 0.300 . 1 . . . . 30 GLN N . 10154 1 286 . 1 1 30 30 GLN H H 1 7.568 0.030 . 1 . . . . 30 GLN H . 10154 1 287 . 1 1 30 30 GLN CA C 13 58.801 0.300 . 1 . . . . 30 GLN CA . 10154 1 288 . 1 1 30 30 GLN HA H 1 3.971 0.030 . 1 . . . . 30 GLN HA . 10154 1 289 . 1 1 30 30 GLN CB C 13 28.596 0.300 . 1 . . . . 30 GLN CB . 10154 1 290 . 1 1 30 30 GLN HB2 H 1 2.070 0.030 . 1 . . . . 30 GLN HB2 . 10154 1 291 . 1 1 30 30 GLN HB3 H 1 2.070 0.030 . 1 . . . . 30 GLN HB3 . 10154 1 292 . 1 1 30 30 GLN CG C 13 33.853 0.300 . 1 . . . . 30 GLN CG . 10154 1 293 . 1 1 30 30 GLN HG2 H 1 2.532 0.030 . 2 . . . . 30 GLN HG2 . 10154 1 294 . 1 1 30 30 GLN HG3 H 1 2.384 0.030 . 2 . . . . 30 GLN HG3 . 10154 1 295 . 1 1 30 30 GLN NE2 N 15 112.657 0.300 . 1 . . . . 30 GLN NE2 . 10154 1 296 . 1 1 30 30 GLN HE21 H 1 6.873 0.030 . 2 . . . . 30 GLN HE21 . 10154 1 297 . 1 1 30 30 GLN HE22 H 1 7.567 0.030 . 2 . . . . 30 GLN HE22 . 10154 1 298 . 1 1 30 30 GLN C C 13 178.233 0.300 . 1 . . . . 30 GLN C . 10154 1 299 . 1 1 31 31 HIS N N 15 119.357 0.300 . 1 . . . . 31 HIS N . 10154 1 300 . 1 1 31 31 HIS H H 1 7.565 0.030 . 1 . . . . 31 HIS H . 10154 1 301 . 1 1 31 31 HIS CA C 13 59.086 0.300 . 1 . . . . 31 HIS CA . 10154 1 302 . 1 1 31 31 HIS HA H 1 4.227 0.030 . 1 . . . . 31 HIS HA . 10154 1 303 . 1 1 31 31 HIS CB C 13 28.676 0.300 . 1 . . . . 31 HIS CB . 10154 1 304 . 1 1 31 31 HIS HB2 H 1 3.127 0.030 . 2 . . . . 31 HIS HB2 . 10154 1 305 . 1 1 31 31 HIS HB3 H 1 2.859 0.030 . 2 . . . . 31 HIS HB3 . 10154 1 306 . 1 1 31 31 HIS CD2 C 13 127.606 0.300 . 1 . . . . 31 HIS CD2 . 10154 1 307 . 1 1 31 31 HIS HD2 H 1 7.059 0.030 . 1 . . . . 31 HIS HD2 . 10154 1 308 . 1 1 31 31 HIS CE1 C 13 139.365 0.300 . 1 . . . . 31 HIS CE1 . 10154 1 309 . 1 1 31 31 HIS HE1 H 1 7.987 0.030 . 1 . . . . 31 HIS HE1 . 10154 1 310 . 1 1 31 31 HIS C C 13 176.294 0.300 . 1 . . . . 31 HIS C . 10154 1 311 . 1 1 32 32 GLU N N 15 116.614 0.300 . 1 . . . . 32 GLU N . 10154 1 312 . 1 1 32 32 GLU H H 1 8.508 0.030 . 1 . . . . 32 GLU H . 10154 1 313 . 1 1 32 32 GLU CA C 13 60.064 0.300 . 1 . . . . 32 GLU CA . 10154 1 314 . 1 1 32 32 GLU HA H 1 3.695 0.030 . 1 . . . . 32 GLU HA . 10154 1 315 . 1 1 32 32 GLU CB C 13 29.809 0.300 . 1 . . . . 32 GLU CB . 10154 1 316 . 1 1 32 32 GLU HB2 H 1 2.274 0.030 . 2 . . . . 32 GLU HB2 . 10154 1 317 . 1 1 32 32 GLU HB3 H 1 2.130 0.030 . 2 . . . . 32 GLU HB3 . 10154 1 318 . 1 1 32 32 GLU CG C 13 37.668 0.300 . 1 . . . . 32 GLU CG . 10154 1 319 . 1 1 32 32 GLU HG2 H 1 2.718 0.030 . 2 . . . . 32 GLU HG2 . 10154 1 320 . 1 1 32 32 GLU HG3 H 1 2.636 0.030 . 2 . . . . 32 GLU HG3 . 10154 1 321 . 1 1 32 32 GLU C C 13 178.085 0.300 . 1 . . . . 32 GLU C . 10154 1 322 . 1 1 33 33 ARG N N 15 116.851 0.300 . 1 . . . . 33 ARG N . 10154 1 323 . 1 1 33 33 ARG H H 1 7.041 0.030 . 1 . . . . 33 ARG H . 10154 1 324 . 1 1 33 33 ARG CA C 13 58.355 0.300 . 1 . . . . 33 ARG CA . 10154 1 325 . 1 1 33 33 ARG HA H 1 4.121 0.030 . 1 . . . . 33 ARG HA . 10154 1 326 . 1 1 33 33 ARG CB C 13 30.200 0.300 . 1 . . . . 33 ARG CB . 10154 1 327 . 1 1 33 33 ARG HB2 H 1 1.889 0.030 . 2 . . . . 33 ARG HB2 . 10154 1 328 . 1 1 33 33 ARG HB3 H 1 1.806 0.030 . 2 . . . . 33 ARG HB3 . 10154 1 329 . 1 1 33 33 ARG CG C 13 27.389 0.300 . 1 . . . . 33 ARG CG . 10154 1 330 . 1 1 33 33 ARG HG2 H 1 1.824 0.030 . 2 . . . . 33 ARG HG2 . 10154 1 331 . 1 1 33 33 ARG HG3 H 1 1.707 0.030 . 2 . . . . 33 ARG HG3 . 10154 1 332 . 1 1 33 33 ARG CD C 13 43.490 0.300 . 1 . . . . 33 ARG CD . 10154 1 333 . 1 1 33 33 ARG HD2 H 1 3.215 0.030 . 1 . . . . 33 ARG HD2 . 10154 1 334 . 1 1 33 33 ARG HD3 H 1 3.215 0.030 . 1 . . . . 33 ARG HD3 . 10154 1 335 . 1 1 33 33 ARG C C 13 178.487 0.300 . 1 . . . . 33 ARG C . 10154 1 336 . 1 1 34 34 ILE N N 15 116.576 0.300 . 1 . . . . 34 ILE N . 10154 1 337 . 1 1 34 34 ILE H H 1 7.947 0.030 . 1 . . . . 34 ILE H . 10154 1 338 . 1 1 34 34 ILE CA C 13 63.154 0.300 . 1 . . . . 34 ILE CA . 10154 1 339 . 1 1 34 34 ILE HA H 1 3.952 0.030 . 1 . . . . 34 ILE HA . 10154 1 340 . 1 1 34 34 ILE CB C 13 37.652 0.300 . 1 . . . . 34 ILE CB . 10154 1 341 . 1 1 34 34 ILE HB H 1 1.733 0.030 . 1 . . . . 34 ILE HB . 10154 1 342 . 1 1 34 34 ILE CG1 C 13 26.926 0.300 . 1 . . . . 34 ILE CG1 . 10154 1 343 . 1 1 34 34 ILE HG12 H 1 0.988 0.030 . 2 . . . . 34 ILE HG12 . 10154 1 344 . 1 1 34 34 ILE HG13 H 1 0.819 0.030 . 2 . . . . 34 ILE HG13 . 10154 1 345 . 1 1 34 34 ILE CG2 C 13 16.732 0.300 . 1 . . . . 34 ILE CG2 . 10154 1 346 . 1 1 34 34 ILE HG21 H 1 0.580 0.030 . 1 . . . . 34 ILE HG2 . 10154 1 347 . 1 1 34 34 ILE HG22 H 1 0.580 0.030 . 1 . . . . 34 ILE HG2 . 10154 1 348 . 1 1 34 34 ILE HG23 H 1 0.580 0.030 . 1 . . . . 34 ILE HG2 . 10154 1 349 . 1 1 34 34 ILE CD1 C 13 14.380 0.300 . 1 . . . . 34 ILE CD1 . 10154 1 350 . 1 1 34 34 ILE HD11 H 1 0.706 0.030 . 1 . . . . 34 ILE HD1 . 10154 1 351 . 1 1 34 34 ILE HD12 H 1 0.706 0.030 . 1 . . . . 34 ILE HD1 . 10154 1 352 . 1 1 34 34 ILE HD13 H 1 0.706 0.030 . 1 . . . . 34 ILE HD1 . 10154 1 353 . 1 1 34 34 ILE C C 13 177.459 0.300 . 1 . . . . 34 ILE C . 10154 1 354 . 1 1 35 35 HIS N N 15 117.114 0.300 . 1 . . . . 35 HIS N . 10154 1 355 . 1 1 35 35 HIS H H 1 7.243 0.030 . 1 . . . . 35 HIS H . 10154 1 356 . 1 1 35 35 HIS CA C 13 55.496 0.300 . 1 . . . . 35 HIS CA . 10154 1 357 . 1 1 35 35 HIS HA H 1 4.776 0.030 . 1 . . . . 35 HIS HA . 10154 1 358 . 1 1 35 35 HIS CB C 13 28.583 0.300 . 1 . . . . 35 HIS CB . 10154 1 359 . 1 1 35 35 HIS HB2 H 1 3.292 0.030 . 2 . . . . 35 HIS HB2 . 10154 1 360 . 1 1 35 35 HIS HB3 H 1 3.255 0.030 . 2 . . . . 35 HIS HB3 . 10154 1 361 . 1 1 35 35 HIS CD2 C 13 127.859 0.300 . 1 . . . . 35 HIS CD2 . 10154 1 362 . 1 1 35 35 HIS HD2 H 1 6.690 0.030 . 1 . . . . 35 HIS HD2 . 10154 1 363 . 1 1 35 35 HIS CE1 C 13 140.197 0.300 . 1 . . . . 35 HIS CE1 . 10154 1 364 . 1 1 35 35 HIS HE1 H 1 8.045 0.030 . 1 . . . . 35 HIS HE1 . 10154 1 365 . 1 1 35 35 HIS C C 13 175.451 0.300 . 1 . . . . 35 HIS C . 10154 1 366 . 1 1 36 36 THR N N 15 112.873 0.300 . 1 . . . . 36 THR N . 10154 1 367 . 1 1 36 36 THR H H 1 7.691 0.030 . 1 . . . . 36 THR H . 10154 1 368 . 1 1 36 36 THR CA C 13 62.256 0.300 . 1 . . . . 36 THR CA . 10154 1 369 . 1 1 36 36 THR HA H 1 4.377 0.030 . 1 . . . . 36 THR HA . 10154 1 370 . 1 1 36 36 THR CB C 13 69.760 0.300 . 1 . . . . 36 THR CB . 10154 1 371 . 1 1 36 36 THR HB H 1 4.307 0.030 . 1 . . . . 36 THR HB . 10154 1 372 . 1 1 36 36 THR CG2 C 13 21.725 0.300 . 1 . . . . 36 THR CG2 . 10154 1 373 . 1 1 36 36 THR HG21 H 1 1.237 0.030 . 1 . . . . 36 THR HG2 . 10154 1 374 . 1 1 36 36 THR HG22 H 1 1.237 0.030 . 1 . . . . 36 THR HG2 . 10154 1 375 . 1 1 36 36 THR HG23 H 1 1.237 0.030 . 1 . . . . 36 THR HG2 . 10154 1 376 . 1 1 36 36 THR C C 13 174.552 0.300 . 1 . . . . 36 THR C . 10154 1 377 . 1 1 37 37 ARG N N 15 122.792 0.300 . 1 . . . . 37 ARG N . 10154 1 378 . 1 1 37 37 ARG H H 1 8.176 0.030 . 1 . . . . 37 ARG H . 10154 1 379 . 1 1 37 37 ARG CA C 13 56.728 0.300 . 1 . . . . 37 ARG CA . 10154 1 380 . 1 1 37 37 ARG HA H 1 4.369 0.030 . 1 . . . . 37 ARG HA . 10154 1 381 . 1 1 37 37 ARG CB C 13 30.703 0.300 . 1 . . . . 37 ARG CB . 10154 1 382 . 1 1 37 37 ARG HB2 H 1 1.845 0.030 . 2 . . . . 37 ARG HB2 . 10154 1 383 . 1 1 37 37 ARG HB3 H 1 1.912 0.030 . 2 . . . . 37 ARG HB3 . 10154 1 384 . 1 1 37 37 ARG CG C 13 26.984 0.300 . 1 . . . . 37 ARG CG . 10154 1 385 . 1 1 37 37 ARG HG2 H 1 1.680 0.030 . 2 . . . . 37 ARG HG2 . 10154 1 386 . 1 1 37 37 ARG HG3 H 1 1.704 0.030 . 2 . . . . 37 ARG HG3 . 10154 1 387 . 1 1 37 37 ARG CD C 13 43.486 0.300 . 1 . . . . 37 ARG CD . 10154 1 388 . 1 1 37 37 ARG HD2 H 1 3.217 0.030 . 1 . . . . 37 ARG HD2 . 10154 1 389 . 1 1 37 37 ARG HD3 H 1 3.217 0.030 . 1 . . . . 37 ARG HD3 . 10154 1 390 . 1 1 37 37 ARG C C 13 176.742 0.300 . 1 . . . . 37 ARG C . 10154 1 391 . 1 1 38 38 GLY N N 15 110.024 0.300 . 1 . . . . 38 GLY N . 10154 1 392 . 1 1 38 38 GLY H H 1 8.396 0.030 . 1 . . . . 38 GLY H . 10154 1 393 . 1 1 38 38 GLY CA C 13 45.327 0.300 . 1 . . . . 38 GLY CA . 10154 1 394 . 1 1 38 38 GLY HA2 H 1 3.983 0.030 . 1 . . . . 38 GLY HA2 . 10154 1 395 . 1 1 38 38 GLY HA3 H 1 3.983 0.030 . 1 . . . . 38 GLY HA3 . 10154 1 396 . 1 1 38 38 GLY C C 13 174.010 0.300 . 1 . . . . 38 GLY C . 10154 1 397 . 1 1 39 39 VAL N N 15 119.355 0.300 . 1 . . . . 39 VAL N . 10154 1 398 . 1 1 39 39 VAL H H 1 7.972 0.030 . 1 . . . . 39 VAL H . 10154 1 399 . 1 1 39 39 VAL CA C 13 62.275 0.300 . 1 . . . . 39 VAL CA . 10154 1 400 . 1 1 39 39 VAL HA H 1 4.134 0.030 . 1 . . . . 39 VAL HA . 10154 1 401 . 1 1 39 39 VAL CB C 13 32.877 0.300 . 1 . . . . 39 VAL CB . 10154 1 402 . 1 1 39 39 VAL HB H 1 2.091 0.030 . 1 . . . . 39 VAL HB . 10154 1 403 . 1 1 39 39 VAL CG1 C 13 20.506 0.300 . 2 . . . . 39 VAL CG1 . 10154 1 404 . 1 1 39 39 VAL HG11 H 1 0.934 0.030 . 1 . . . . 39 VAL HG1 . 10154 1 405 . 1 1 39 39 VAL HG12 H 1 0.934 0.030 . 1 . . . . 39 VAL HG1 . 10154 1 406 . 1 1 39 39 VAL HG13 H 1 0.934 0.030 . 1 . . . . 39 VAL HG1 . 10154 1 407 . 1 1 39 39 VAL CG2 C 13 21.170 0.300 . 2 . . . . 39 VAL CG2 . 10154 1 408 . 1 1 39 39 VAL HG21 H 1 0.941 0.030 . 1 . . . . 39 VAL HG2 . 10154 1 409 . 1 1 39 39 VAL HG22 H 1 0.941 0.030 . 1 . . . . 39 VAL HG2 . 10154 1 410 . 1 1 39 39 VAL HG23 H 1 0.941 0.030 . 1 . . . . 39 VAL HG2 . 10154 1 411 . 1 1 39 39 VAL C C 13 176.275 0.300 . 1 . . . . 39 VAL C . 10154 1 412 . 1 1 40 40 LYS N N 15 125.416 0.300 . 1 . . . . 40 LYS N . 10154 1 413 . 1 1 40 40 LYS H H 1 8.482 0.030 . 1 . . . . 40 LYS H . 10154 1 414 . 1 1 40 40 LYS CA C 13 56.257 0.300 . 1 . . . . 40 LYS CA . 10154 1 415 . 1 1 40 40 LYS HA H 1 4.392 0.030 . 1 . . . . 40 LYS HA . 10154 1 416 . 1 1 40 40 LYS CB C 13 33.006 0.300 . 1 . . . . 40 LYS CB . 10154 1 417 . 1 1 40 40 LYS HB2 H 1 1.875 0.030 . 2 . . . . 40 LYS HB2 . 10154 1 418 . 1 1 40 40 LYS HB3 H 1 1.780 0.030 . 2 . . . . 40 LYS HB3 . 10154 1 419 . 1 1 40 40 LYS CG C 13 24.817 0.300 . 1 . . . . 40 LYS CG . 10154 1 420 . 1 1 40 40 LYS HG2 H 1 1.449 0.030 . 1 . . . . 40 LYS HG2 . 10154 1 421 . 1 1 40 40 LYS HG3 H 1 1.449 0.030 . 1 . . . . 40 LYS HG3 . 10154 1 422 . 1 1 40 40 LYS CD C 13 29.257 0.300 . 1 . . . . 40 LYS CD . 10154 1 423 . 1 1 40 40 LYS HD2 H 1 1.650 0.030 . 2 . . . . 40 LYS HD2 . 10154 1 424 . 1 1 40 40 LYS CE C 13 42.073 0.300 . 1 . . . . 40 LYS CE . 10154 1 425 . 1 1 40 40 LYS HE2 H 1 2.965 0.030 . 1 . . . . 40 LYS HE2 . 10154 1 426 . 1 1 40 40 LYS HE3 H 1 2.965 0.030 . 1 . . . . 40 LYS HE3 . 10154 1 427 . 1 1 40 40 LYS C C 13 176.346 0.300 . 1 . . . . 40 LYS C . 10154 1 428 . 1 1 41 41 SER N N 15 117.710 0.300 . 1 . . . . 41 SER N . 10154 1 429 . 1 1 41 41 SER H H 1 8.326 0.030 . 1 . . . . 41 SER H . 10154 1 430 . 1 1 41 41 SER CA C 13 58.775 0.300 . 1 . . . . 41 SER CA . 10154 1 431 . 1 1 41 41 SER HA H 1 4.491 0.030 . 1 . . . . 41 SER HA . 10154 1 432 . 1 1 41 41 SER CB C 13 63.841 0.300 . 1 . . . . 41 SER CB . 10154 1 433 . 1 1 41 41 SER HB2 H 1 3.933 0.030 . 2 . . . . 41 SER HB2 . 10154 1 434 . 1 1 41 41 SER HB3 H 1 3.874 0.030 . 2 . . . . 41 SER HB3 . 10154 1 435 . 1 1 41 41 SER C C 13 173.882 0.300 . 1 . . . . 41 SER C . 10154 1 436 . 1 1 42 42 GLY N N 15 116.832 0.300 . 1 . . . . 42 GLY N . 10154 1 437 . 1 1 42 42 GLY H H 1 8.057 0.030 . 1 . . . . 42 GLY H . 10154 1 438 . 1 1 42 42 GLY CA C 13 44.640 0.300 . 1 . . . . 42 GLY CA . 10154 1 439 . 1 1 42 42 GLY HA2 H 1 4.144 0.030 . 1 . . . . 42 GLY HA2 . 10154 1 440 . 1 1 42 42 GLY HA3 H 1 4.144 0.030 . 1 . . . . 42 GLY HA3 . 10154 1 441 . 1 1 42 42 GLY C C 13 178.957 0.300 . 1 . . . . 42 GLY C . 10154 1 442 . 1 1 43 43 PRO CA C 13 63.377 0.300 . 1 . . . . 43 PRO CA . 10154 1 443 . 1 1 43 43 PRO HA H 1 4.491 0.030 . 1 . . . . 43 PRO HA . 10154 1 444 . 1 1 43 43 PRO CB C 13 32.201 0.300 . 1 . . . . 43 PRO CB . 10154 1 445 . 1 1 43 43 PRO HB2 H 1 1.993 0.030 . 2 . . . . 43 PRO HB2 . 10154 1 446 . 1 1 43 43 PRO HB3 H 1 2.313 0.030 . 2 . . . . 43 PRO HB3 . 10154 1 447 . 1 1 43 43 PRO CG C 13 27.092 0.300 . 1 . . . . 43 PRO CG . 10154 1 448 . 1 1 43 43 PRO HG2 H 1 2.035 0.030 . 1 . . . . 43 PRO HG2 . 10154 1 449 . 1 1 43 43 PRO HG3 H 1 2.035 0.030 . 1 . . . . 43 PRO HG3 . 10154 1 450 . 1 1 43 43 PRO CD C 13 49.840 0.300 . 1 . . . . 43 PRO CD . 10154 1 451 . 1 1 43 43 PRO HD2 H 1 3.645 0.030 . 1 . . . . 43 PRO HD2 . 10154 1 452 . 1 1 43 43 PRO HD3 H 1 3.645 0.030 . 1 . . . . 43 PRO HD3 . 10154 1 stop_ save_