################################### # 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 10172 _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 10172 1 2 '3D 15N-separated NOESY' 1 $sample_1 isotropic 10172 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 9 9 GLY CA C 13 45.245 0.300 . 1 . . . . 9 GLY CA . 10172 1 2 . 1 1 9 9 GLY HA3 H 1 3.924 0.030 . 1 . . . . 9 GLY HA3 . 10172 1 3 . 1 1 9 9 GLY C C 13 174.036 0.300 . 1 . . . . 9 GLY C . 10172 1 4 . 1 1 9 9 GLY HA2 H 1 3.924 0.030 . 1 . . . . 9 GLY HA2 . 10172 1 5 . 1 1 10 10 GLU N N 15 120.696 0.300 . 1 . . . . 10 GLU N . 10172 1 6 . 1 1 10 10 GLU H H 1 8.207 0.030 . 1 . . . . 10 GLU H . 10172 1 7 . 1 1 10 10 GLU CA C 13 56.534 0.300 . 1 . . . . 10 GLU CA . 10172 1 8 . 1 1 10 10 GLU HA H 1 4.133 0.030 . 1 . . . . 10 GLU HA . 10172 1 9 . 1 1 10 10 GLU CB C 13 30.333 0.300 . 1 . . . . 10 GLU CB . 10172 1 10 . 1 1 10 10 GLU HB3 H 1 1.847 0.030 . 2 . . . . 10 GLU HB3 . 10172 1 11 . 1 1 10 10 GLU CG C 13 36.085 0.300 . 1 . . . . 10 GLU CG . 10172 1 12 . 1 1 10 10 GLU HG3 H 1 2.164 0.030 . 1 . . . . 10 GLU HG3 . 10172 1 13 . 1 1 10 10 GLU C C 13 175.895 0.300 . 1 . . . . 10 GLU C . 10172 1 14 . 1 1 10 10 GLU HB2 H 1 1.899 0.030 . 2 . . . . 10 GLU HB2 . 10172 1 15 . 1 1 10 10 GLU HG2 H 1 2.164 0.030 . 1 . . . . 10 GLU HG2 . 10172 1 16 . 1 1 11 11 LYS N N 15 122.388 0.300 . 1 . . . . 11 LYS N . 10172 1 17 . 1 1 11 11 LYS H H 1 8.194 0.030 . 1 . . . . 11 LYS H . 10172 1 18 . 1 1 11 11 LYS CA C 13 53.829 0.300 . 1 . . . . 11 LYS CA . 10172 1 19 . 1 1 11 11 LYS HA H 1 4.210 0.030 . 1 . . . . 11 LYS HA . 10172 1 20 . 1 1 11 11 LYS CB C 13 31.954 0.300 . 1 . . . . 11 LYS CB . 10172 1 21 . 1 1 11 11 LYS HB3 H 1 1.120 0.030 . 2 . . . . 11 LYS HB3 . 10172 1 22 . 1 1 11 11 LYS CG C 13 24.874 0.300 . 1 . . . . 11 LYS CG . 10172 1 23 . 1 1 11 11 LYS HG3 H 1 0.891 0.030 . 2 . . . . 11 LYS HG3 . 10172 1 24 . 1 1 11 11 LYS CD C 13 29.268 0.300 . 1 . . . . 11 LYS CD . 10172 1 25 . 1 1 11 11 LYS HD3 H 1 0.939 0.030 . 2 . . . . 11 LYS HD3 . 10172 1 26 . 1 1 11 11 LYS CE C 13 42.051 0.300 . 1 . . . . 11 LYS CE . 10172 1 27 . 1 1 11 11 LYS HE3 H 1 2.534 0.030 . 2 . . . . 11 LYS HE3 . 10172 1 28 . 1 1 11 11 LYS C C 13 174.474 0.300 . 1 . . . . 11 LYS C . 10172 1 29 . 1 1 11 11 LYS HB2 H 1 1.295 0.030 . 2 . . . . 11 LYS HB2 . 10172 1 30 . 1 1 11 11 LYS HD2 H 1 1.004 0.030 . 2 . . . . 11 LYS HD2 . 10172 1 31 . 1 1 11 11 LYS HE2 H 1 2.584 0.030 . 2 . . . . 11 LYS HE2 . 10172 1 32 . 1 1 11 11 LYS HG2 H 1 0.272 0.030 . 2 . . . . 11 LYS HG2 . 10172 1 33 . 1 1 12 12 PRO CA C 13 64.016 0.300 . 1 . . . . 12 PRO CA . 10172 1 34 . 1 1 12 12 PRO HA H 1 4.100 0.030 . 1 . . . . 12 PRO HA . 10172 1 35 . 1 1 12 12 PRO CB C 13 32.091 0.300 . 1 . . . . 12 PRO CB . 10172 1 36 . 1 1 12 12 PRO HB3 H 1 1.141 0.030 . 2 . . . . 12 PRO HB3 . 10172 1 37 . 1 1 12 12 PRO CG C 13 26.866 0.300 . 1 . . . . 12 PRO CG . 10172 1 38 . 1 1 12 12 PRO HG3 H 1 1.793 0.030 . 2 . . . . 12 PRO HG3 . 10172 1 39 . 1 1 12 12 PRO CD C 13 50.782 0.300 . 1 . . . . 12 PRO CD . 10172 1 40 . 1 1 12 12 PRO HD3 H 1 3.690 0.030 . 2 . . . . 12 PRO HD3 . 10172 1 41 . 1 1 12 12 PRO C C 13 176.288 0.300 . 1 . . . . 12 PRO C . 10172 1 42 . 1 1 12 12 PRO HB2 H 1 1.940 0.030 . 2 . . . . 12 PRO HB2 . 10172 1 43 . 1 1 12 12 PRO HD2 H 1 3.806 0.030 . 2 . . . . 12 PRO HD2 . 10172 1 44 . 1 1 12 12 PRO HG2 H 1 1.872 0.030 . 2 . . . . 12 PRO HG2 . 10172 1 45 . 1 1 13 13 PHE N N 15 117.244 0.300 . 1 . . . . 13 PHE N . 10172 1 46 . 1 1 13 13 PHE H H 1 7.539 0.030 . 1 . . . . 13 PHE H . 10172 1 47 . 1 1 13 13 PHE CA C 13 57.505 0.300 . 1 . . . . 13 PHE CA . 10172 1 48 . 1 1 13 13 PHE HA H 1 4.650 0.030 . 1 . . . . 13 PHE HA . 10172 1 49 . 1 1 13 13 PHE CB C 13 39.645 0.300 . 1 . . . . 13 PHE CB . 10172 1 50 . 1 1 13 13 PHE HB3 H 1 3.010 0.030 . 2 . . . . 13 PHE HB3 . 10172 1 51 . 1 1 13 13 PHE CD1 C 13 132.090 0.300 . 1 . . . . 13 PHE CD1 . 10172 1 52 . 1 1 13 13 PHE HD1 H 1 7.058 0.030 . 1 . . . . 13 PHE HD1 . 10172 1 53 . 1 1 13 13 PHE CD2 C 13 132.090 0.300 . 1 . . . . 13 PHE CD2 . 10172 1 54 . 1 1 13 13 PHE HD2 H 1 7.058 0.030 . 1 . . . . 13 PHE HD2 . 10172 1 55 . 1 1 13 13 PHE CE1 C 13 131.319 0.300 . 1 . . . . 13 PHE CE1 . 10172 1 56 . 1 1 13 13 PHE HE1 H 1 7.358 0.030 . 1 . . . . 13 PHE HE1 . 10172 1 57 . 1 1 13 13 PHE CE2 C 13 131.319 0.300 . 1 . . . . 13 PHE CE2 . 10172 1 58 . 1 1 13 13 PHE HE2 H 1 7.358 0.030 . 1 . . . . 13 PHE HE2 . 10172 1 59 . 1 1 13 13 PHE CZ C 13 130.102 0.300 . 1 . . . . 13 PHE CZ . 10172 1 60 . 1 1 13 13 PHE HZ H 1 7.314 0.030 . 1 . . . . 13 PHE HZ . 10172 1 61 . 1 1 13 13 PHE C C 13 174.436 0.300 . 1 . . . . 13 PHE C . 10172 1 62 . 1 1 13 13 PHE HB2 H 1 2.603 0.030 . 2 . . . . 13 PHE HB2 . 10172 1 63 . 1 1 14 14 LYS N N 15 123.175 0.300 . 1 . . . . 14 LYS N . 10172 1 64 . 1 1 14 14 LYS H H 1 8.664 0.030 . 1 . . . . 14 LYS H . 10172 1 65 . 1 1 14 14 LYS CA C 13 54.292 0.300 . 1 . . . . 14 LYS CA . 10172 1 66 . 1 1 14 14 LYS HA H 1 5.102 0.030 . 1 . . . . 14 LYS HA . 10172 1 67 . 1 1 14 14 LYS CB C 13 34.850 0.300 . 1 . . . . 14 LYS CB . 10172 1 68 . 1 1 14 14 LYS HB3 H 1 1.445 0.030 . 2 . . . . 14 LYS HB3 . 10172 1 69 . 1 1 14 14 LYS CG C 13 24.467 0.300 . 1 . . . . 14 LYS CG . 10172 1 70 . 1 1 14 14 LYS HG3 H 1 1.158 0.030 . 1 . . . . 14 LYS HG3 . 10172 1 71 . 1 1 14 14 LYS CD C 13 28.969 0.300 . 1 . . . . 14 LYS CD . 10172 1 72 . 1 1 14 14 LYS HD3 H 1 1.473 0.030 . 1 . . . . 14 LYS HD3 . 10172 1 73 . 1 1 14 14 LYS CE C 13 42.142 0.300 . 1 . . . . 14 LYS CE . 10172 1 74 . 1 1 14 14 LYS HE3 H 1 2.853 0.030 . 1 . . . . 14 LYS HE3 . 10172 1 75 . 1 1 14 14 LYS C C 13 176.027 0.300 . 1 . . . . 14 LYS C . 10172 1 76 . 1 1 14 14 LYS HB2 H 1 1.567 0.030 . 2 . . . . 14 LYS HB2 . 10172 1 77 . 1 1 14 14 LYS HD2 H 1 1.473 0.030 . 1 . . . . 14 LYS HD2 . 10172 1 78 . 1 1 14 14 LYS HE2 H 1 2.853 0.030 . 1 . . . . 14 LYS HE2 . 10172 1 79 . 1 1 14 14 LYS HG2 H 1 1.158 0.030 . 1 . . . . 14 LYS HG2 . 10172 1 80 . 1 1 15 15 CYS N N 15 126.518 0.300 . 1 . . . . 15 CYS N . 10172 1 81 . 1 1 15 15 CYS H H 1 9.121 0.030 . 1 . . . . 15 CYS H . 10172 1 82 . 1 1 15 15 CYS CA C 13 59.421 0.300 . 1 . . . . 15 CYS CA . 10172 1 83 . 1 1 15 15 CYS HA H 1 4.379 0.030 . 1 . . . . 15 CYS HA . 10172 1 84 . 1 1 15 15 CYS CB C 13 30.467 0.300 . 1 . . . . 15 CYS CB . 10172 1 85 . 1 1 15 15 CYS HB3 H 1 3.376 0.030 . 2 . . . . 15 CYS HB3 . 10172 1 86 . 1 1 15 15 CYS C C 13 177.905 0.300 . 1 . . . . 15 CYS C . 10172 1 87 . 1 1 15 15 CYS HB2 H 1 3.065 0.030 . 2 . . . . 15 CYS HB2 . 10172 1 88 . 1 1 16 16 GLU N N 15 131.837 0.300 . 1 . . . . 16 GLU N . 10172 1 89 . 1 1 16 16 GLU H H 1 9.146 0.030 . 1 . . . . 16 GLU H . 10172 1 90 . 1 1 16 16 GLU CA C 13 58.767 0.300 . 1 . . . . 16 GLU CA . 10172 1 91 . 1 1 16 16 GLU HA H 1 4.015 0.030 . 1 . . . . 16 GLU HA . 10172 1 92 . 1 1 16 16 GLU CB C 13 30.034 0.300 . 1 . . . . 16 GLU CB . 10172 1 93 . 1 1 16 16 GLU HB3 H 1 1.987 0.030 . 2 . . . . 16 GLU HB3 . 10172 1 94 . 1 1 16 16 GLU CG C 13 36.399 0.300 . 1 . . . . 16 GLU CG . 10172 1 95 . 1 1 16 16 GLU HG3 H 1 2.414 0.030 . 2 . . . . 16 GLU HG3 . 10172 1 96 . 1 1 16 16 GLU C C 13 176.586 0.300 . 1 . . . . 16 GLU C . 10172 1 97 . 1 1 16 16 GLU HB2 H 1 2.071 0.030 . 2 . . . . 16 GLU HB2 . 10172 1 98 . 1 1 16 16 GLU HG2 H 1 2.298 0.030 . 2 . . . . 16 GLU HG2 . 10172 1 99 . 1 1 17 17 GLU N N 15 120.271 0.300 . 1 . . . . 17 GLU N . 10172 1 100 . 1 1 17 17 GLU H H 1 8.759 0.030 . 1 . . . . 17 GLU H . 10172 1 101 . 1 1 17 17 GLU CA C 13 58.156 0.300 . 1 . . . . 17 GLU CA . 10172 1 102 . 1 1 17 17 GLU HA H 1 4.187 0.030 . 1 . . . . 17 GLU HA . 10172 1 103 . 1 1 17 17 GLU CB C 13 29.903 0.300 . 1 . . . . 17 GLU CB . 10172 1 104 . 1 1 17 17 GLU HB3 H 1 1.375 0.030 . 2 . . . . 17 GLU HB3 . 10172 1 105 . 1 1 17 17 GLU CG C 13 35.180 0.300 . 1 . . . . 17 GLU CG . 10172 1 106 . 1 1 17 17 GLU HG3 H 1 1.678 0.030 . 2 . . . . 17 GLU HG3 . 10172 1 107 . 1 1 17 17 GLU C C 13 177.311 0.300 . 1 . . . . 17 GLU C . 10172 1 108 . 1 1 17 17 GLU HB2 H 1 1.470 0.030 . 2 . . . . 17 GLU HB2 . 10172 1 109 . 1 1 17 17 GLU HG2 H 1 1.827 0.030 . 2 . . . . 17 GLU HG2 . 10172 1 110 . 1 1 18 18 CYS N N 15 115.586 0.300 . 1 . . . . 18 CYS N . 10172 1 111 . 1 1 18 18 CYS H H 1 8.194 0.030 . 1 . . . . 18 CYS H . 10172 1 112 . 1 1 18 18 CYS CA C 13 58.370 0.300 . 1 . . . . 18 CYS CA . 10172 1 113 . 1 1 18 18 CYS HA H 1 5.102 0.030 . 1 . . . . 18 CYS HA . 10172 1 114 . 1 1 18 18 CYS CB C 13 32.475 0.300 . 1 . . . . 18 CYS CB . 10172 1 115 . 1 1 18 18 CYS HB3 H 1 3.377 0.030 . 2 . . . . 18 CYS HB3 . 10172 1 116 . 1 1 18 18 CYS C C 13 176.599 0.300 . 1 . . . . 18 CYS C . 10172 1 117 . 1 1 18 18 CYS HB2 H 1 2.731 0.030 . 2 . . . . 18 CYS HB2 . 10172 1 118 . 1 1 19 19 GLY N N 15 113.385 0.300 . 1 . . . . 19 GLY N . 10172 1 119 . 1 1 19 19 GLY H H 1 8.078 0.030 . 1 . . . . 19 GLY H . 10172 1 120 . 1 1 19 19 GLY CA C 13 46.212 0.300 . 1 . . . . 19 GLY CA . 10172 1 121 . 1 1 19 19 GLY HA3 H 1 4.170 0.030 . 2 . . . . 19 GLY HA3 . 10172 1 122 . 1 1 19 19 GLY C C 13 173.387 0.300 . 1 . . . . 19 GLY C . 10172 1 123 . 1 1 19 19 GLY HA2 H 1 3.725 0.030 . 2 . . . . 19 GLY HA2 . 10172 1 124 . 1 1 20 20 LYS N N 15 123.491 0.300 . 1 . . . . 20 LYS N . 10172 1 125 . 1 1 20 20 LYS H H 1 8.031 0.030 . 1 . . . . 20 LYS H . 10172 1 126 . 1 1 20 20 LYS CA C 13 58.327 0.300 . 1 . . . . 20 LYS CA . 10172 1 127 . 1 1 20 20 LYS HA H 1 3.865 0.030 . 1 . . . . 20 LYS HA . 10172 1 128 . 1 1 20 20 LYS CB C 13 33.833 0.300 . 1 . . . . 20 LYS CB . 10172 1 129 . 1 1 20 20 LYS HB3 H 1 1.521 0.030 . 2 . . . . 20 LYS HB3 . 10172 1 130 . 1 1 20 20 LYS CG C 13 25.849 0.300 . 1 . . . . 20 LYS CG . 10172 1 131 . 1 1 20 20 LYS HG3 H 1 1.316 0.030 . 2 . . . . 20 LYS HG3 . 10172 1 132 . 1 1 20 20 LYS CD C 13 29.321 0.300 . 1 . . . . 20 LYS CD . 10172 1 133 . 1 1 20 20 LYS HD3 H 1 1.401 0.030 . 2 . . . . 20 LYS HD3 . 10172 1 134 . 1 1 20 20 LYS CE C 13 42.037 0.300 . 1 . . . . 20 LYS CE . 10172 1 135 . 1 1 20 20 LYS HE3 H 1 2.851 0.030 . 2 . . . . 20 LYS HE3 . 10172 1 136 . 1 1 20 20 LYS C C 13 174.752 0.300 . 1 . . . . 20 LYS C . 10172 1 137 . 1 1 20 20 LYS HB2 H 1 1.196 0.030 . 2 . . . . 20 LYS HB2 . 10172 1 138 . 1 1 20 20 LYS HD2 H 1 1.265 0.030 . 2 . . . . 20 LYS HD2 . 10172 1 139 . 1 1 20 20 LYS HE2 H 1 2.790 0.030 . 2 . . . . 20 LYS HE2 . 10172 1 140 . 1 1 20 20 LYS HG2 H 1 0.909 0.030 . 2 . . . . 20 LYS HG2 . 10172 1 141 . 1 1 21 21 GLY N N 15 108.772 0.300 . 1 . . . . 21 GLY N . 10172 1 142 . 1 1 21 21 GLY H H 1 7.874 0.030 . 1 . . . . 21 GLY H . 10172 1 143 . 1 1 21 21 GLY CA C 13 44.209 0.300 . 1 . . . . 21 GLY CA . 10172 1 144 . 1 1 21 21 GLY HA3 H 1 4.844 0.030 . 2 . . . . 21 GLY HA3 . 10172 1 145 . 1 1 21 21 GLY C C 13 172.496 0.300 . 1 . . . . 21 GLY C . 10172 1 146 . 1 1 21 21 GLY HA2 H 1 3.160 0.030 . 2 . . . . 21 GLY HA2 . 10172 1 147 . 1 1 22 22 PHE N N 15 117.732 0.300 . 1 . . . . 22 PHE N . 10172 1 148 . 1 1 22 22 PHE H H 1 8.744 0.030 . 1 . . . . 22 PHE H . 10172 1 149 . 1 1 22 22 PHE CA C 13 57.105 0.300 . 1 . . . . 22 PHE CA . 10172 1 150 . 1 1 22 22 PHE HA H 1 4.459 0.030 . 1 . . . . 22 PHE HA . 10172 1 151 . 1 1 22 22 PHE CB C 13 44.303 0.300 . 1 . . . . 22 PHE CB . 10172 1 152 . 1 1 22 22 PHE HB3 H 1 3.437 0.030 . 2 . . . . 22 PHE HB3 . 10172 1 153 . 1 1 22 22 PHE CD1 C 13 132.262 0.300 . 1 . . . . 22 PHE CD1 . 10172 1 154 . 1 1 22 22 PHE HD1 H 1 7.165 0.030 . 1 . . . . 22 PHE HD1 . 10172 1 155 . 1 1 22 22 PHE CD2 C 13 132.262 0.300 . 1 . . . . 22 PHE CD2 . 10172 1 156 . 1 1 22 22 PHE HD2 H 1 7.165 0.030 . 1 . . . . 22 PHE HD2 . 10172 1 157 . 1 1 22 22 PHE CE1 C 13 130.969 0.300 . 1 . . . . 22 PHE CE1 . 10172 1 158 . 1 1 22 22 PHE HE1 H 1 6.829 0.030 . 1 . . . . 22 PHE HE1 . 10172 1 159 . 1 1 22 22 PHE CE2 C 13 130.969 0.300 . 1 . . . . 22 PHE CE2 . 10172 1 160 . 1 1 22 22 PHE HE2 H 1 6.829 0.030 . 1 . . . . 22 PHE HE2 . 10172 1 161 . 1 1 22 22 PHE CZ C 13 128.622 0.300 . 1 . . . . 22 PHE CZ . 10172 1 162 . 1 1 22 22 PHE HZ H 1 6.049 0.030 . 1 . . . . 22 PHE HZ . 10172 1 163 . 1 1 22 22 PHE C C 13 175.019 0.300 . 1 . . . . 22 PHE C . 10172 1 164 . 1 1 22 22 PHE HB2 H 1 2.599 0.030 . 2 . . . . 22 PHE HB2 . 10172 1 165 . 1 1 23 23 TYR N N 15 117.772 0.300 . 1 . . . . 23 TYR N . 10172 1 166 . 1 1 23 23 TYR H H 1 8.874 0.030 . 1 . . . . 23 TYR H . 10172 1 167 . 1 1 23 23 TYR CA C 13 61.344 0.300 . 1 . . . . 23 TYR CA . 10172 1 168 . 1 1 23 23 TYR HA H 1 4.596 0.030 . 1 . . . . 23 TYR HA . 10172 1 169 . 1 1 23 23 TYR CB C 13 39.493 0.300 . 1 . . . . 23 TYR CB . 10172 1 170 . 1 1 23 23 TYR HB3 H 1 3.338 0.030 . 2 . . . . 23 TYR HB3 . 10172 1 171 . 1 1 23 23 TYR CD1 C 13 133.264 0.300 . 1 . . . . 23 TYR CD1 . 10172 1 172 . 1 1 23 23 TYR HD1 H 1 7.368 0.030 . 1 . . . . 23 TYR HD1 . 10172 1 173 . 1 1 23 23 TYR CD2 C 13 133.264 0.300 . 1 . . . . 23 TYR CD2 . 10172 1 174 . 1 1 23 23 TYR HD2 H 1 7.368 0.030 . 1 . . . . 23 TYR HD2 . 10172 1 175 . 1 1 23 23 TYR CE1 C 13 118.488 0.300 . 1 . . . . 23 TYR CE1 . 10172 1 176 . 1 1 23 23 TYR HE1 H 1 6.783 0.030 . 1 . . . . 23 TYR HE1 . 10172 1 177 . 1 1 23 23 TYR CE2 C 13 118.488 0.300 . 1 . . . . 23 TYR CE2 . 10172 1 178 . 1 1 23 23 TYR HE2 H 1 6.783 0.030 . 1 . . . . 23 TYR HE2 . 10172 1 179 . 1 1 23 23 TYR C C 13 176.259 0.300 . 1 . . . . 23 TYR C . 10172 1 180 . 1 1 23 23 TYR HB2 H 1 3.112 0.030 . 2 . . . . 23 TYR HB2 . 10172 1 181 . 1 1 24 24 THR N N 15 104.091 0.300 . 1 . . . . 24 THR N . 10172 1 182 . 1 1 24 24 THR H H 1 7.364 0.030 . 1 . . . . 24 THR H . 10172 1 183 . 1 1 24 24 THR CA C 13 58.807 0.300 . 1 . . . . 24 THR CA . 10172 1 184 . 1 1 24 24 THR HA H 1 4.697 0.030 . 1 . . . . 24 THR HA . 10172 1 185 . 1 1 24 24 THR CB C 13 72.491 0.300 . 1 . . . . 24 THR CB . 10172 1 186 . 1 1 24 24 THR HB H 1 4.339 0.030 . 1 . . . . 24 THR HB . 10172 1 187 . 1 1 24 24 THR CG2 C 13 21.543 0.300 . 1 . . . . 24 THR CG2 . 10172 1 188 . 1 1 24 24 THR HG21 H 1 1.178 0.030 . 1 . . . . 24 THR HG2 . 10172 1 189 . 1 1 24 24 THR HG22 H 1 1.178 0.030 . 1 . . . . 24 THR HG2 . 10172 1 190 . 1 1 24 24 THR HG23 H 1 1.178 0.030 . 1 . . . . 24 THR HG2 . 10172 1 191 . 1 1 24 24 THR C C 13 173.941 0.300 . 1 . . . . 24 THR C . 10172 1 192 . 1 1 25 25 ASN N N 15 121.743 0.300 . 1 . . . . 25 ASN N . 10172 1 193 . 1 1 25 25 ASN H H 1 8.167 0.030 . 1 . . . . 25 ASN H . 10172 1 194 . 1 1 25 25 ASN CA C 13 55.394 0.300 . 1 . . . . 25 ASN CA . 10172 1 195 . 1 1 25 25 ASN HA H 1 3.488 0.030 . 1 . . . . 25 ASN HA . 10172 1 196 . 1 1 25 25 ASN CB C 13 37.914 0.300 . 1 . . . . 25 ASN CB . 10172 1 197 . 1 1 25 25 ASN HB3 H 1 1.965 0.030 . 2 . . . . 25 ASN HB3 . 10172 1 198 . 1 1 25 25 ASN ND2 N 15 112.509 0.300 . 1 . . . . 25 ASN ND2 . 10172 1 199 . 1 1 25 25 ASN HD21 H 1 7.297 0.030 . 2 . . . . 25 ASN HD21 . 10172 1 200 . 1 1 25 25 ASN HD22 H 1 6.687 0.030 . 2 . . . . 25 ASN HD22 . 10172 1 201 . 1 1 25 25 ASN C C 13 177.445 0.300 . 1 . . . . 25 ASN C . 10172 1 202 . 1 1 25 25 ASN HB2 H 1 2.188 0.030 . 2 . . . . 25 ASN HB2 . 10172 1 203 . 1 1 26 26 SER CA C 13 61.273 0.300 . 1 . . . . 26 SER CA . 10172 1 204 . 1 1 26 26 SER HA H 1 4.001 0.030 . 1 . . . . 26 SER HA . 10172 1 205 . 1 1 26 26 SER CB C 13 62.053 0.300 . 1 . . . . 26 SER CB . 10172 1 206 . 1 1 26 26 SER HB3 H 1 3.765 0.030 . 1 . . . . 26 SER HB3 . 10172 1 207 . 1 1 26 26 SER C C 13 177.544 0.300 . 1 . . . . 26 SER C . 10172 1 208 . 1 1 26 26 SER HB2 H 1 3.765 0.030 . 1 . . . . 26 SER HB2 . 10172 1 209 . 1 1 27 27 GLN N N 15 121.070 0.300 . 1 . . . . 27 GLN N . 10172 1 210 . 1 1 27 27 GLN H H 1 7.488 0.030 . 1 . . . . 27 GLN H . 10172 1 211 . 1 1 27 27 GLN CA C 13 58.360 0.300 . 1 . . . . 27 GLN CA . 10172 1 212 . 1 1 27 27 GLN HA H 1 3.904 0.030 . 1 . . . . 27 GLN HA . 10172 1 213 . 1 1 27 27 GLN CB C 13 28.821 0.300 . 1 . . . . 27 GLN CB . 10172 1 214 . 1 1 27 27 GLN HB3 H 1 2.167 0.030 . 2 . . . . 27 GLN HB3 . 10172 1 215 . 1 1 27 27 GLN CG C 13 34.439 0.300 . 1 . . . . 27 GLN CG . 10172 1 216 . 1 1 27 27 GLN HG3 H 1 2.421 0.030 . 1 . . . . 27 GLN HG3 . 10172 1 217 . 1 1 27 27 GLN NE2 N 15 111.962 0.300 . 1 . . . . 27 GLN NE2 . 10172 1 218 . 1 1 27 27 GLN HE21 H 1 7.567 0.030 . 2 . . . . 27 GLN HE21 . 10172 1 219 . 1 1 27 27 GLN HE22 H 1 7.096 0.030 . 2 . . . . 27 GLN HE22 . 10172 1 220 . 1 1 27 27 GLN C C 13 178.094 0.300 . 1 . . . . 27 GLN C . 10172 1 221 . 1 1 27 27 GLN HB2 H 1 2.032 0.030 . 2 . . . . 27 GLN HB2 . 10172 1 222 . 1 1 27 27 GLN HG2 H 1 2.421 0.030 . 1 . . . . 27 GLN HG2 . 10172 1 223 . 1 1 28 28 CYS N N 15 120.697 0.300 . 1 . . . . 28 CYS N . 10172 1 224 . 1 1 28 28 CYS H H 1 7.220 0.030 . 1 . . . . 28 CYS H . 10172 1 225 . 1 1 28 28 CYS CA C 13 61.758 0.300 . 1 . . . . 28 CYS CA . 10172 1 226 . 1 1 28 28 CYS HA H 1 2.831 0.030 . 1 . . . . 28 CYS HA . 10172 1 227 . 1 1 28 28 CYS CB C 13 26.350 0.300 . 1 . . . . 28 CYS CB . 10172 1 228 . 1 1 28 28 CYS HB3 H 1 2.439 0.030 . 2 . . . . 28 CYS HB3 . 10172 1 229 . 1 1 28 28 CYS C C 13 175.755 0.300 . 1 . . . . 28 CYS C . 10172 1 230 . 1 1 28 28 CYS HB2 H 1 3.118 0.030 . 2 . . . . 28 CYS HB2 . 10172 1 231 . 1 1 29 29 TYR N N 15 119.853 0.300 . 1 . . . . 29 TYR N . 10172 1 232 . 1 1 29 29 TYR H H 1 8.676 0.030 . 1 . . . . 29 TYR H . 10172 1 233 . 1 1 29 29 TYR CA C 13 61.209 0.300 . 1 . . . . 29 TYR CA . 10172 1 234 . 1 1 29 29 TYR HA H 1 4.190 0.030 . 1 . . . . 29 TYR HA . 10172 1 235 . 1 1 29 29 TYR CB C 13 37.680 0.300 . 1 . . . . 29 TYR CB . 10172 1 236 . 1 1 29 29 TYR HB3 H 1 2.902 0.030 . 2 . . . . 29 TYR HB3 . 10172 1 237 . 1 1 29 29 TYR CD1 C 13 132.887 0.300 . 1 . . . . 29 TYR CD1 . 10172 1 238 . 1 1 29 29 TYR HD1 H 1 7.031 0.030 . 1 . . . . 29 TYR HD1 . 10172 1 239 . 1 1 29 29 TYR CD2 C 13 132.887 0.300 . 1 . . . . 29 TYR CD2 . 10172 1 240 . 1 1 29 29 TYR HD2 H 1 7.031 0.030 . 1 . . . . 29 TYR HD2 . 10172 1 241 . 1 1 29 29 TYR CE1 C 13 118.024 0.300 . 1 . . . . 29 TYR CE1 . 10172 1 242 . 1 1 29 29 TYR HE1 H 1 6.735 0.030 . 1 . . . . 29 TYR HE1 . 10172 1 243 . 1 1 29 29 TYR CE2 C 13 118.024 0.300 . 1 . . . . 29 TYR CE2 . 10172 1 244 . 1 1 29 29 TYR HE2 H 1 6.735 0.030 . 1 . . . . 29 TYR HE2 . 10172 1 245 . 1 1 29 29 TYR C C 13 178.450 0.300 . 1 . . . . 29 TYR C . 10172 1 246 . 1 1 29 29 TYR HB2 H 1 3.027 0.030 . 2 . . . . 29 TYR HB2 . 10172 1 247 . 1 1 30 30 SER N N 15 113.870 0.300 . 1 . . . . 30 SER N . 10172 1 248 . 1 1 30 30 SER H H 1 7.941 0.030 . 1 . . . . 30 SER H . 10172 1 249 . 1 1 30 30 SER CA C 13 61.619 0.300 . 1 . . . . 30 SER CA . 10172 1 250 . 1 1 30 30 SER HA H 1 3.929 0.030 . 1 . . . . 30 SER HA . 10172 1 251 . 1 1 30 30 SER CB C 13 62.511 0.300 . 1 . . . . 30 SER CB . 10172 1 252 . 1 1 30 30 SER HB3 H 1 3.813 0.030 . 1 . . . . 30 SER HB3 . 10172 1 253 . 1 1 30 30 SER C C 13 177.338 0.300 . 1 . . . . 30 SER C . 10172 1 254 . 1 1 30 30 SER HB2 H 1 3.813 0.030 . 1 . . . . 30 SER HB2 . 10172 1 255 . 1 1 31 31 HIS N N 15 120.082 0.300 . 1 . . . . 31 HIS N . 10172 1 256 . 1 1 31 31 HIS H H 1 7.472 0.030 . 1 . . . . 31 HIS H . 10172 1 257 . 1 1 31 31 HIS CA C 13 59.031 0.300 . 1 . . . . 31 HIS CA . 10172 1 258 . 1 1 31 31 HIS HA H 1 4.166 0.030 . 1 . . . . 31 HIS HA . 10172 1 259 . 1 1 31 31 HIS CB C 13 27.883 0.300 . 1 . . . . 31 HIS CB . 10172 1 260 . 1 1 31 31 HIS HB3 H 1 2.829 0.030 . 2 . . . . 31 HIS HB3 . 10172 1 261 . 1 1 31 31 HIS CD2 C 13 128.547 0.300 . 1 . . . . 31 HIS CD2 . 10172 1 262 . 1 1 31 31 HIS HD2 H 1 7.020 0.030 . 1 . . . . 31 HIS HD2 . 10172 1 263 . 1 1 31 31 HIS CE1 C 13 139.118 0.300 . 1 . . . . 31 HIS CE1 . 10172 1 264 . 1 1 31 31 HIS HE1 H 1 7.890 0.030 . 1 . . . . 31 HIS HE1 . 10172 1 265 . 1 1 31 31 HIS C C 13 177.933 0.300 . 1 . . . . 31 HIS C . 10172 1 266 . 1 1 31 31 HIS HB2 H 1 2.889 0.030 . 2 . . . . 31 HIS HB2 . 10172 1 267 . 1 1 32 32 GLN N N 15 122.469 0.300 . 1 . . . . 32 GLN N . 10172 1 268 . 1 1 32 32 GLN H H 1 8.922 0.030 . 1 . . . . 32 GLN H . 10172 1 269 . 1 1 32 32 GLN CA C 13 59.712 0.300 . 1 . . . . 32 GLN CA . 10172 1 270 . 1 1 32 32 GLN HA H 1 3.803 0.030 . 1 . . . . 32 GLN HA . 10172 1 271 . 1 1 32 32 GLN CB C 13 28.541 0.300 . 1 . . . . 32 GLN CB . 10172 1 272 . 1 1 32 32 GLN HB3 H 1 2.367 0.030 . 2 . . . . 32 GLN HB3 . 10172 1 273 . 1 1 32 32 GLN CG C 13 35.089 0.300 . 1 . . . . 32 GLN CG . 10172 1 274 . 1 1 32 32 GLN HG3 H 1 2.825 0.030 . 1 . . . . 32 GLN HG3 . 10172 1 275 . 1 1 32 32 GLN NE2 N 15 113.281 0.300 . 1 . . . . 32 GLN NE2 . 10172 1 276 . 1 1 32 32 GLN HE21 H 1 7.593 0.030 . 2 . . . . 32 GLN HE21 . 10172 1 277 . 1 1 32 32 GLN HE22 H 1 7.174 0.030 . 2 . . . . 32 GLN HE22 . 10172 1 278 . 1 1 32 32 GLN C C 13 178.714 0.300 . 1 . . . . 32 GLN C . 10172 1 279 . 1 1 32 32 GLN HB2 H 1 2.157 0.030 . 2 . . . . 32 GLN HB2 . 10172 1 280 . 1 1 32 32 GLN HG2 H 1 2.825 0.030 . 1 . . . . 32 GLN HG2 . 10172 1 281 . 1 1 33 33 ARG N N 15 117.875 0.300 . 1 . . . . 33 ARG N . 10172 1 282 . 1 1 33 33 ARG H H 1 7.460 0.030 . 1 . . . . 33 ARG H . 10172 1 283 . 1 1 33 33 ARG CA C 13 58.084 0.300 . 1 . . . . 33 ARG CA . 10172 1 284 . 1 1 33 33 ARG HA H 1 3.987 0.030 . 1 . . . . 33 ARG HA . 10172 1 285 . 1 1 33 33 ARG CB C 13 29.643 0.300 . 1 . . . . 33 ARG CB . 10172 1 286 . 1 1 33 33 ARG HB3 H 1 1.703 0.030 . 2 . . . . 33 ARG HB3 . 10172 1 287 . 1 1 33 33 ARG CG C 13 26.900 0.300 . 1 . . . . 33 ARG CG . 10172 1 288 . 1 1 33 33 ARG HG3 H 1 1.478 0.030 . 2 . . . . 33 ARG HG3 . 10172 1 289 . 1 1 33 33 ARG CD C 13 43.043 0.300 . 1 . . . . 33 ARG CD . 10172 1 290 . 1 1 33 33 ARG HD3 H 1 3.012 0.030 . 1 . . . . 33 ARG HD3 . 10172 1 291 . 1 1 33 33 ARG C C 13 177.881 0.300 . 1 . . . . 33 ARG C . 10172 1 292 . 1 1 33 33 ARG HB2 H 1 1.767 0.030 . 2 . . . . 33 ARG HB2 . 10172 1 293 . 1 1 33 33 ARG HD2 H 1 3.012 0.030 . 1 . . . . 33 ARG HD2 . 10172 1 294 . 1 1 33 33 ARG HG2 H 1 1.545 0.030 . 2 . . . . 33 ARG HG2 . 10172 1 295 . 1 1 34 34 SER N N 15 114.760 0.300 . 1 . . . . 34 SER N . 10172 1 296 . 1 1 34 34 SER H H 1 7.661 0.030 . 1 . . . . 34 SER H . 10172 1 297 . 1 1 34 34 SER CA C 13 60.528 0.300 . 1 . . . . 34 SER CA . 10172 1 298 . 1 1 34 34 SER HA H 1 4.157 0.030 . 1 . . . . 34 SER HA . 10172 1 299 . 1 1 34 34 SER CB C 13 63.155 0.300 . 1 . . . . 34 SER CB . 10172 1 300 . 1 1 34 34 SER HB3 H 1 3.717 0.030 . 1 . . . . 34 SER HB3 . 10172 1 301 . 1 1 34 34 SER C C 13 175.370 0.300 . 1 . . . . 34 SER C . 10172 1 302 . 1 1 34 34 SER HB2 H 1 3.717 0.030 . 1 . . . . 34 SER HB2 . 10172 1 303 . 1 1 35 35 HIS N N 15 119.408 0.300 . 1 . . . . 35 HIS N . 10172 1 304 . 1 1 35 35 HIS H H 1 7.149 0.030 . 1 . . . . 35 HIS H . 10172 1 305 . 1 1 35 35 HIS CA C 13 56.612 0.300 . 1 . . . . 35 HIS CA . 10172 1 306 . 1 1 35 35 HIS HA H 1 4.591 0.030 . 1 . . . . 35 HIS HA . 10172 1 307 . 1 1 35 35 HIS CB C 13 28.543 0.300 . 1 . . . . 35 HIS CB . 10172 1 308 . 1 1 35 35 HIS HB3 H 1 3.075 0.030 . 2 . . . . 35 HIS HB3 . 10172 1 309 . 1 1 35 35 HIS CD2 C 13 127.422 0.300 . 1 . . . . 35 HIS CD2 . 10172 1 310 . 1 1 35 35 HIS HD2 H 1 6.722 0.030 . 1 . . . . 35 HIS HD2 . 10172 1 311 . 1 1 35 35 HIS CE1 C 13 139.946 0.300 . 1 . . . . 35 HIS CE1 . 10172 1 312 . 1 1 35 35 HIS HE1 H 1 7.987 0.030 . 1 . . . . 35 HIS HE1 . 10172 1 313 . 1 1 35 35 HIS C C 13 175.587 0.300 . 1 . . . . 35 HIS C . 10172 1 314 . 1 1 35 35 HIS HB2 H 1 3.238 0.030 . 2 . . . . 35 HIS HB2 . 10172 1 315 . 1 1 36 36 SER N N 15 114.717 0.300 . 1 . . . . 36 SER N . 10172 1 316 . 1 1 36 36 SER H H 1 7.831 0.030 . 1 . . . . 36 SER H . 10172 1 317 . 1 1 36 36 SER CA C 13 58.643 0.300 . 1 . . . . 36 SER CA . 10172 1 318 . 1 1 36 36 SER HA H 1 4.412 0.030 . 1 . . . . 36 SER HA . 10172 1 319 . 1 1 36 36 SER CB C 13 63.865 0.300 . 1 . . . . 36 SER CB . 10172 1 320 . 1 1 36 36 SER C C 13 175.009 0.300 . 1 . . . . 36 SER C . 10172 1 321 . 1 1 36 36 SER HB2 H 1 3.894 0.030 . 2 . . . . 36 SER HB2 . 10172 1 322 . 1 1 37 37 GLY N N 15 110.718 0.300 . 1 . . . . 37 GLY N . 10172 1 323 . 1 1 37 37 GLY H H 1 8.233 0.030 . 1 . . . . 37 GLY H . 10172 1 324 . 1 1 37 37 GLY CA C 13 45.254 0.300 . 1 . . . . 37 GLY CA . 10172 1 325 . 1 1 37 37 GLY HA3 H 1 3.930 0.030 . 1 . . . . 37 GLY HA3 . 10172 1 326 . 1 1 37 37 GLY C C 13 174.063 0.300 . 1 . . . . 37 GLY C . 10172 1 327 . 1 1 37 37 GLY HA2 H 1 3.930 0.030 . 1 . . . . 37 GLY HA2 . 10172 1 328 . 1 1 38 38 GLU N N 15 120.467 0.300 . 1 . . . . 38 GLU N . 10172 1 329 . 1 1 38 38 GLU H H 1 8.063 0.030 . 1 . . . . 38 GLU H . 10172 1 330 . 1 1 38 38 GLU CA C 13 56.324 0.300 . 1 . . . . 38 GLU CA . 10172 1 331 . 1 1 38 38 GLU HA H 1 4.202 0.030 . 1 . . . . 38 GLU HA . 10172 1 332 . 1 1 38 38 GLU CB C 13 30.407 0.300 . 1 . . . . 38 GLU CB . 10172 1 333 . 1 1 38 38 GLU HB3 H 1 1.854 0.030 . 2 . . . . 38 GLU HB3 . 10172 1 334 . 1 1 38 38 GLU CG C 13 36.146 0.300 . 1 . . . . 38 GLU CG . 10172 1 335 . 1 1 38 38 GLU HG3 H 1 2.204 0.030 . 1 . . . . 38 GLU HG3 . 10172 1 336 . 1 1 38 38 GLU C C 13 176.234 0.300 . 1 . . . . 38 GLU C . 10172 1 337 . 1 1 38 38 GLU HB2 H 1 1.943 0.030 . 2 . . . . 38 GLU HB2 . 10172 1 338 . 1 1 38 38 GLU HG2 H 1 2.204 0.030 . 1 . . . . 38 GLU HG2 . 10172 1 339 . 1 1 39 39 LYS N N 15 123.848 0.300 . 1 . . . . 39 LYS N . 10172 1 340 . 1 1 39 39 LYS H H 1 8.379 0.030 . 1 . . . . 39 LYS H . 10172 1 341 . 1 1 39 39 LYS CA C 13 54.044 0.300 . 1 . . . . 39 LYS CA . 10172 1 342 . 1 1 39 39 LYS HA H 1 4.553 0.030 . 1 . . . . 39 LYS HA . 10172 1 343 . 1 1 39 39 LYS CB C 13 32.409 0.300 . 1 . . . . 39 LYS CB . 10172 1 344 . 1 1 39 39 LYS HB3 H 1 1.760 0.030 . 2 . . . . 39 LYS HB3 . 10172 1 345 . 1 1 39 39 LYS CG C 13 24.440 0.300 . 1 . . . . 39 LYS CG . 10172 1 346 . 1 1 39 39 LYS HG3 H 1 1.409 0.030 . 1 . . . . 39 LYS HG3 . 10172 1 347 . 1 1 39 39 LYS CD C 13 29.096 0.300 . 1 . . . . 39 LYS CD . 10172 1 348 . 1 1 39 39 LYS HD3 H 1 1.623 0.030 . 1 . . . . 39 LYS HD3 . 10172 1 349 . 1 1 39 39 LYS CE C 13 42.125 0.300 . 1 . . . . 39 LYS CE . 10172 1 350 . 1 1 39 39 LYS HE3 H 1 2.939 0.030 . 1 . . . . 39 LYS HE3 . 10172 1 351 . 1 1 39 39 LYS C C 13 174.964 0.300 . 1 . . . . 39 LYS C . 10172 1 352 . 1 1 39 39 LYS HB2 H 1 1.670 0.030 . 2 . . . . 39 LYS HB2 . 10172 1 353 . 1 1 39 39 LYS HD2 H 1 1.623 0.030 . 1 . . . . 39 LYS HD2 . 10172 1 354 . 1 1 39 39 LYS HE2 H 1 2.939 0.030 . 1 . . . . 39 LYS HE2 . 10172 1 355 . 1 1 39 39 LYS HG2 H 1 1.409 0.030 . 1 . . . . 39 LYS HG2 . 10172 1 356 . 1 1 40 40 PRO CA C 13 63.191 0.300 . 1 . . . . 40 PRO CA . 10172 1 357 . 1 1 40 40 PRO HA H 1 4.410 0.030 . 1 . . . . 40 PRO HA . 10172 1 358 . 1 1 40 40 PRO CB C 13 32.091 0.300 . 1 . . . . 40 PRO CB . 10172 1 359 . 1 1 40 40 PRO HB3 H 1 1.884 0.030 . 2 . . . . 40 PRO HB3 . 10172 1 360 . 1 1 40 40 PRO CG C 13 27.106 0.300 . 1 . . . . 40 PRO CG . 10172 1 361 . 1 1 40 40 PRO HG3 H 1 1.954 0.030 . 1 . . . . 40 PRO HG3 . 10172 1 362 . 1 1 40 40 PRO CD C 13 50.649 0.300 . 1 . . . . 40 PRO CD . 10172 1 363 . 1 1 40 40 PRO HD3 H 1 3.582 0.030 . 2 . . . . 40 PRO HD3 . 10172 1 364 . 1 1 40 40 PRO HB2 H 1 2.251 0.030 . 2 . . . . 40 PRO HB2 . 10172 1 365 . 1 1 40 40 PRO HD2 H 1 3.766 0.030 . 2 . . . . 40 PRO HD2 . 10172 1 366 . 1 1 40 40 PRO HG2 H 1 1.954 0.030 . 1 . . . . 40 PRO HG2 . 10172 1 stop_ save_