################################### # 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 10186 _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 10186 1 2 '3D 15N-separated NOESY' 1 $sample_1 isotropic 10186 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 8 8 THR CA C 13 61.919 0.300 . 1 . . . . 8 THR CA . 10186 1 2 . 1 1 8 8 THR HA H 1 4.367 0.030 . 1 . . . . 8 THR HA . 10186 1 3 . 1 1 8 8 THR CB C 13 69.796 0.300 . 1 . . . . 8 THR CB . 10186 1 4 . 1 1 8 8 THR HB H 1 4.301 0.030 . 1 . . . . 8 THR HB . 10186 1 5 . 1 1 8 8 THR CG2 C 13 21.528 0.300 . 1 . . . . 8 THR CG2 . 10186 1 6 . 1 1 8 8 THR HG21 H 1 1.200 0.030 . 1 . . . . 8 THR HG2 . 10186 1 7 . 1 1 8 8 THR HG22 H 1 1.200 0.030 . 1 . . . . 8 THR HG2 . 10186 1 8 . 1 1 8 8 THR HG23 H 1 1.200 0.030 . 1 . . . . 8 THR HG2 . 10186 1 9 . 1 1 8 8 THR C C 13 175.193 0.300 . 1 . . . . 8 THR C . 10186 1 10 . 1 1 9 9 GLY N N 15 111.079 0.300 . 1 . . . . 9 GLY N . 10186 1 11 . 1 1 9 9 GLY H H 1 8.450 0.030 . 1 . . . . 9 GLY H . 10186 1 12 . 1 1 9 9 GLY CA C 13 45.243 0.300 . 1 . . . . 9 GLY CA . 10186 1 13 . 1 1 9 9 GLY HA2 H 1 3.956 0.030 . 1 . . . . 9 GLY HA2 . 10186 1 14 . 1 1 9 9 GLY HA3 H 1 3.956 0.030 . 1 . . . . 9 GLY HA3 . 10186 1 15 . 1 1 9 9 GLY C C 13 173.979 0.300 . 1 . . . . 9 GLY C . 10186 1 16 . 1 1 10 10 GLU N N 15 120.501 0.300 . 1 . . . . 10 GLU N . 10186 1 17 . 1 1 10 10 GLU H H 1 8.192 0.030 . 1 . . . . 10 GLU H . 10186 1 18 . 1 1 10 10 GLU CA C 13 56.560 0.300 . 1 . . . . 10 GLU CA . 10186 1 19 . 1 1 10 10 GLU HA H 1 4.198 0.030 . 1 . . . . 10 GLU HA . 10186 1 20 . 1 1 10 10 GLU CB C 13 30.474 0.300 . 1 . . . . 10 GLU CB . 10186 1 21 . 1 1 10 10 GLU HB2 H 1 1.884 0.030 . 2 . . . . 10 GLU HB2 . 10186 1 22 . 1 1 10 10 GLU HB3 H 1 1.968 0.030 . 2 . . . . 10 GLU HB3 . 10186 1 23 . 1 1 10 10 GLU CG C 13 36.242 0.300 . 1 . . . . 10 GLU CG . 10186 1 24 . 1 1 10 10 GLU HG2 H 1 2.220 0.030 . 1 . . . . 10 GLU HG2 . 10186 1 25 . 1 1 10 10 GLU HG3 H 1 2.220 0.030 . 1 . . . . 10 GLU HG3 . 10186 1 26 . 1 1 10 10 GLU C C 13 176.188 0.300 . 1 . . . . 10 GLU C . 10186 1 27 . 1 1 11 11 LYS N N 15 122.926 0.300 . 1 . . . . 11 LYS N . 10186 1 28 . 1 1 11 11 LYS H H 1 8.346 0.030 . 1 . . . . 11 LYS H . 10186 1 29 . 1 1 11 11 LYS CA C 13 54.399 0.300 . 1 . . . . 11 LYS CA . 10186 1 30 . 1 1 11 11 LYS HA H 1 4.447 0.030 . 1 . . . . 11 LYS HA . 10186 1 31 . 1 1 11 11 LYS CB C 13 32.473 0.300 . 1 . . . . 11 LYS CB . 10186 1 32 . 1 1 11 11 LYS HB2 H 1 1.488 0.030 . 1 . . . . 11 LYS HB2 . 10186 1 33 . 1 1 11 11 LYS HB3 H 1 1.488 0.030 . 1 . . . . 11 LYS HB3 . 10186 1 34 . 1 1 11 11 LYS CG C 13 25.201 0.300 . 1 . . . . 11 LYS CG . 10186 1 35 . 1 1 11 11 LYS HG2 H 1 1.242 0.030 . 2 . . . . 11 LYS HG2 . 10186 1 36 . 1 1 11 11 LYS HG3 H 1 1.343 0.030 . 2 . . . . 11 LYS HG3 . 10186 1 37 . 1 1 11 11 LYS CD C 13 29.380 0.300 . 1 . . . . 11 LYS CD . 10186 1 38 . 1 1 11 11 LYS HD2 H 1 1.515 0.030 . 2 . . . . 11 LYS HD2 . 10186 1 39 . 1 1 11 11 LYS HD3 H 1 1.429 0.030 . 2 . . . . 11 LYS HD3 . 10186 1 40 . 1 1 11 11 LYS CE C 13 42.318 0.300 . 1 . . . . 11 LYS CE . 10186 1 41 . 1 1 11 11 LYS HE2 H 1 2.935 0.030 . 1 . . . . 11 LYS HE2 . 10186 1 42 . 1 1 11 11 LYS HE3 H 1 2.935 0.030 . 1 . . . . 11 LYS HE3 . 10186 1 43 . 1 1 11 11 LYS C C 13 174.709 0.300 . 1 . . . . 11 LYS C . 10186 1 44 . 1 1 12 12 PRO CA C 13 64.071 0.300 . 1 . . . . 12 PRO CA . 10186 1 45 . 1 1 12 12 PRO HA H 1 4.194 0.030 . 1 . . . . 12 PRO HA . 10186 1 46 . 1 1 12 12 PRO CB C 13 32.233 0.300 . 1 . . . . 12 PRO CB . 10186 1 47 . 1 1 12 12 PRO HB2 H 1 1.992 0.030 . 2 . . . . 12 PRO HB2 . 10186 1 48 . 1 1 12 12 PRO HB3 H 1 1.132 0.030 . 2 . . . . 12 PRO HB3 . 10186 1 49 . 1 1 12 12 PRO CG C 13 27.025 0.300 . 1 . . . . 12 PRO CG . 10186 1 50 . 1 1 12 12 PRO HG2 H 1 1.704 0.030 . 2 . . . . 12 PRO HG2 . 10186 1 51 . 1 1 12 12 PRO HG3 H 1 1.860 0.030 . 2 . . . . 12 PRO HG3 . 10186 1 52 . 1 1 12 12 PRO CD C 13 50.623 0.300 . 1 . . . . 12 PRO CD . 10186 1 53 . 1 1 12 12 PRO HD2 H 1 3.656 0.030 . 2 . . . . 12 PRO HD2 . 10186 1 54 . 1 1 12 12 PRO HD3 H 1 3.740 0.030 . 2 . . . . 12 PRO HD3 . 10186 1 55 . 1 1 12 12 PRO C C 13 176.563 0.300 . 1 . . . . 12 PRO C . 10186 1 56 . 1 1 13 13 PHE N N 15 117.437 0.300 . 1 . . . . 13 PHE N . 10186 1 57 . 1 1 13 13 PHE H H 1 7.906 0.030 . 1 . . . . 13 PHE H . 10186 1 58 . 1 1 13 13 PHE CA C 13 57.216 0.300 . 1 . . . . 13 PHE CA . 10186 1 59 . 1 1 13 13 PHE HA H 1 4.733 0.030 . 1 . . . . 13 PHE HA . 10186 1 60 . 1 1 13 13 PHE CB C 13 38.760 0.300 . 1 . . . . 13 PHE CB . 10186 1 61 . 1 1 13 13 PHE HB2 H 1 2.917 0.030 . 2 . . . . 13 PHE HB2 . 10186 1 62 . 1 1 13 13 PHE HB3 H 1 3.018 0.030 . 2 . . . . 13 PHE HB3 . 10186 1 63 . 1 1 13 13 PHE CD1 C 13 131.626 0.300 . 1 . . . . 13 PHE CD1 . 10186 1 64 . 1 1 13 13 PHE HD1 H 1 7.113 0.030 . 1 . . . . 13 PHE HD1 . 10186 1 65 . 1 1 13 13 PHE CD2 C 13 131.626 0.300 . 1 . . . . 13 PHE CD2 . 10186 1 66 . 1 1 13 13 PHE HD2 H 1 7.113 0.030 . 1 . . . . 13 PHE HD2 . 10186 1 67 . 1 1 13 13 PHE CE1 C 13 131.606 0.300 . 1 . . . . 13 PHE CE1 . 10186 1 68 . 1 1 13 13 PHE HE1 H 1 7.397 0.030 . 1 . . . . 13 PHE HE1 . 10186 1 69 . 1 1 13 13 PHE CE2 C 13 131.606 0.300 . 1 . . . . 13 PHE CE2 . 10186 1 70 . 1 1 13 13 PHE HE2 H 1 7.397 0.030 . 1 . . . . 13 PHE HE2 . 10186 1 71 . 1 1 13 13 PHE CZ C 13 130.235 0.300 . 1 . . . . 13 PHE CZ . 10186 1 72 . 1 1 13 13 PHE HZ H 1 7.382 0.030 . 1 . . . . 13 PHE HZ . 10186 1 73 . 1 1 13 13 PHE C C 13 174.019 0.300 . 1 . . . . 13 PHE C . 10186 1 74 . 1 1 14 14 LYS N N 15 125.906 0.300 . 1 . . . . 14 LYS N . 10186 1 75 . 1 1 14 14 LYS H H 1 8.558 0.030 . 1 . . . . 14 LYS H . 10186 1 76 . 1 1 14 14 LYS CA C 13 55.253 0.300 . 1 . . . . 14 LYS CA . 10186 1 77 . 1 1 14 14 LYS HA H 1 4.753 0.030 . 1 . . . . 14 LYS HA . 10186 1 78 . 1 1 14 14 LYS CB C 13 35.471 0.300 . 1 . . . . 14 LYS CB . 10186 1 79 . 1 1 14 14 LYS HB2 H 1 1.580 0.030 . 2 . . . . 14 LYS HB2 . 10186 1 80 . 1 1 14 14 LYS HB3 H 1 1.708 0.030 . 2 . . . . 14 LYS HB3 . 10186 1 81 . 1 1 14 14 LYS CG C 13 24.698 0.300 . 1 . . . . 14 LYS CG . 10186 1 82 . 1 1 14 14 LYS HG2 H 1 1.153 0.030 . 2 . . . . 14 LYS HG2 . 10186 1 83 . 1 1 14 14 LYS HG3 H 1 1.205 0.030 . 2 . . . . 14 LYS HG3 . 10186 1 84 . 1 1 14 14 LYS CD C 13 29.530 0.300 . 1 . . . . 14 LYS CD . 10186 1 85 . 1 1 14 14 LYS HD2 H 1 1.604 0.030 . 1 . . . . 14 LYS HD2 . 10186 1 86 . 1 1 14 14 LYS HD3 H 1 1.604 0.030 . 1 . . . . 14 LYS HD3 . 10186 1 87 . 1 1 14 14 LYS CE C 13 42.063 0.300 . 1 . . . . 14 LYS CE . 10186 1 88 . 1 1 14 14 LYS HE2 H 1 2.961 0.030 . 1 . . . . 14 LYS HE2 . 10186 1 89 . 1 1 14 14 LYS HE3 H 1 2.961 0.030 . 1 . . . . 14 LYS HE3 . 10186 1 90 . 1 1 14 14 LYS C C 13 175.156 0.300 . 1 . . . . 14 LYS C . 10186 1 91 . 1 1 15 15 CYS N N 15 128.017 0.300 . 1 . . . . 15 CYS N . 10186 1 92 . 1 1 15 15 CYS H H 1 9.322 0.030 . 1 . . . . 15 CYS H . 10186 1 93 . 1 1 15 15 CYS CA C 13 59.976 0.300 . 1 . . . . 15 CYS CA . 10186 1 94 . 1 1 15 15 CYS HA H 1 4.451 0.030 . 1 . . . . 15 CYS HA . 10186 1 95 . 1 1 15 15 CYS CB C 13 29.411 0.300 . 1 . . . . 15 CYS CB . 10186 1 96 . 1 1 15 15 CYS HB2 H 1 3.442 0.030 . 2 . . . . 15 CYS HB2 . 10186 1 97 . 1 1 15 15 CYS HB3 H 1 2.908 0.030 . 2 . . . . 15 CYS HB3 . 10186 1 98 . 1 1 15 15 CYS C C 13 177.343 0.300 . 1 . . . . 15 CYS C . 10186 1 99 . 1 1 16 16 GLY N N 15 120.643 0.300 . 1 . . . . 16 GLY N . 10186 1 100 . 1 1 16 16 GLY H H 1 9.425 0.030 . 1 . . . . 16 GLY H . 10186 1 101 . 1 1 16 16 GLY CA C 13 46.692 0.300 . 1 . . . . 16 GLY CA . 10186 1 102 . 1 1 16 16 GLY HA2 H 1 3.969 0.030 . 2 . . . . 16 GLY HA2 . 10186 1 103 . 1 1 16 16 GLY HA3 H 1 4.034 0.030 . 2 . . . . 16 GLY HA3 . 10186 1 104 . 1 1 16 16 GLY C C 13 174.008 0.300 . 1 . . . . 16 GLY C . 10186 1 105 . 1 1 17 17 GLU N N 15 121.284 0.300 . 1 . . . . 17 GLU N . 10186 1 106 . 1 1 17 17 GLU H H 1 8.683 0.030 . 1 . . . . 17 GLU H . 10186 1 107 . 1 1 17 17 GLU CA C 13 57.922 0.300 . 1 . . . . 17 GLU CA . 10186 1 108 . 1 1 17 17 GLU HA H 1 4.295 0.030 . 1 . . . . 17 GLU HA . 10186 1 109 . 1 1 17 17 GLU CB C 13 29.778 0.300 . 1 . . . . 17 GLU CB . 10186 1 110 . 1 1 17 17 GLU HB2 H 1 1.344 0.030 . 1 . . . . 17 GLU HB2 . 10186 1 111 . 1 1 17 17 GLU HB3 H 1 1.344 0.030 . 1 . . . . 17 GLU HB3 . 10186 1 112 . 1 1 17 17 GLU CG C 13 35.803 0.300 . 1 . . . . 17 GLU CG . 10186 1 113 . 1 1 17 17 GLU HG2 H 1 1.783 0.030 . 2 . . . . 17 GLU HG2 . 10186 1 114 . 1 1 17 17 GLU HG3 H 1 1.885 0.030 . 2 . . . . 17 GLU HG3 . 10186 1 115 . 1 1 17 17 GLU C C 13 177.066 0.300 . 1 . . . . 17 GLU C . 10186 1 116 . 1 1 18 18 CYS N N 15 115.033 0.300 . 1 . . . . 18 CYS N . 10186 1 117 . 1 1 18 18 CYS H H 1 7.942 0.030 . 1 . . . . 18 CYS H . 10186 1 118 . 1 1 18 18 CYS CA C 13 58.453 0.300 . 1 . . . . 18 CYS CA . 10186 1 119 . 1 1 18 18 CYS HA H 1 5.187 0.030 . 1 . . . . 18 CYS HA . 10186 1 120 . 1 1 18 18 CYS CB C 13 32.524 0.300 . 1 . . . . 18 CYS CB . 10186 1 121 . 1 1 18 18 CYS HB2 H 1 3.438 0.030 . 2 . . . . 18 CYS HB2 . 10186 1 122 . 1 1 18 18 CYS HB3 H 1 2.886 0.030 . 2 . . . . 18 CYS HB3 . 10186 1 123 . 1 1 18 18 CYS C C 13 176.135 0.300 . 1 . . . . 18 CYS C . 10186 1 124 . 1 1 19 19 GLY N N 15 112.484 0.300 . 1 . . . . 19 GLY N . 10186 1 125 . 1 1 19 19 GLY H H 1 8.139 0.030 . 1 . . . . 19 GLY H . 10186 1 126 . 1 1 19 19 GLY CA C 13 46.297 0.300 . 1 . . . . 19 GLY CA . 10186 1 127 . 1 1 19 19 GLY HA2 H 1 4.269 0.030 . 2 . . . . 19 GLY HA2 . 10186 1 128 . 1 1 19 19 GLY HA3 H 1 3.800 0.030 . 2 . . . . 19 GLY HA3 . 10186 1 129 . 1 1 19 19 GLY C C 13 174.065 0.300 . 1 . . . . 19 GLY C . 10186 1 130 . 1 1 20 20 LYS N N 15 123.711 0.300 . 1 . . . . 20 LYS N . 10186 1 131 . 1 1 20 20 LYS H H 1 8.048 0.030 . 1 . . . . 20 LYS H . 10186 1 132 . 1 1 20 20 LYS CA C 13 58.446 0.300 . 1 . . . . 20 LYS CA . 10186 1 133 . 1 1 20 20 LYS HA H 1 4.045 0.030 . 1 . . . . 20 LYS HA . 10186 1 134 . 1 1 20 20 LYS CB C 13 33.391 0.300 . 1 . . . . 20 LYS CB . 10186 1 135 . 1 1 20 20 LYS HB2 H 1 1.293 0.030 . 2 . . . . 20 LYS HB2 . 10186 1 136 . 1 1 20 20 LYS HB3 H 1 1.345 0.030 . 2 . . . . 20 LYS HB3 . 10186 1 137 . 1 1 20 20 LYS CG C 13 26.539 0.300 . 1 . . . . 20 LYS CG . 10186 1 138 . 1 1 20 20 LYS HG2 H 1 1.294 0.030 . 2 . . . . 20 LYS HG2 . 10186 1 139 . 1 1 20 20 LYS HG3 H 1 1.526 0.030 . 2 . . . . 20 LYS HG3 . 10186 1 140 . 1 1 20 20 LYS CD C 13 29.043 0.300 . 1 . . . . 20 LYS CD . 10186 1 141 . 1 1 20 20 LYS HD2 H 1 1.499 0.030 . 2 . . . . 20 LYS HD2 . 10186 1 142 . 1 1 20 20 LYS HD3 H 1 1.544 0.030 . 2 . . . . 20 LYS HD3 . 10186 1 143 . 1 1 20 20 LYS CE C 13 42.322 0.300 . 1 . . . . 20 LYS CE . 10186 1 144 . 1 1 20 20 LYS HE2 H 1 2.932 0.030 . 1 . . . . 20 LYS HE2 . 10186 1 145 . 1 1 20 20 LYS HE3 H 1 2.932 0.030 . 1 . . . . 20 LYS HE3 . 10186 1 146 . 1 1 20 20 LYS C C 13 174.750 0.300 . 1 . . . . 20 LYS C . 10186 1 147 . 1 1 21 21 SER N N 15 114.286 0.300 . 1 . . . . 21 SER N . 10186 1 148 . 1 1 21 21 SER H H 1 7.863 0.030 . 1 . . . . 21 SER H . 10186 1 149 . 1 1 21 21 SER CA C 13 56.933 0.300 . 1 . . . . 21 SER CA . 10186 1 150 . 1 1 21 21 SER HA H 1 5.398 0.030 . 1 . . . . 21 SER HA . 10186 1 151 . 1 1 21 21 SER CB C 13 66.461 0.300 . 1 . . . . 21 SER CB . 10186 1 152 . 1 1 21 21 SER HB2 H 1 3.595 0.030 . 1 . . . . 21 SER HB2 . 10186 1 153 . 1 1 21 21 SER HB3 H 1 3.595 0.030 . 1 . . . . 21 SER HB3 . 10186 1 154 . 1 1 21 21 SER C C 13 172.635 0.300 . 1 . . . . 21 SER C . 10186 1 155 . 1 1 22 22 TYR N N 15 117.528 0.300 . 1 . . . . 22 TYR N . 10186 1 156 . 1 1 22 22 TYR H H 1 8.774 0.030 . 1 . . . . 22 TYR H . 10186 1 157 . 1 1 22 22 TYR CA C 13 58.061 0.300 . 1 . . . . 22 TYR CA . 10186 1 158 . 1 1 22 22 TYR HA H 1 4.750 0.030 . 1 . . . . 22 TYR HA . 10186 1 159 . 1 1 22 22 TYR CB C 13 44.125 0.300 . 1 . . . . 22 TYR CB . 10186 1 160 . 1 1 22 22 TYR HB2 H 1 3.588 0.030 . 2 . . . . 22 TYR HB2 . 10186 1 161 . 1 1 22 22 TYR HB3 H 1 2.642 0.030 . 2 . . . . 22 TYR HB3 . 10186 1 162 . 1 1 22 22 TYR CD1 C 13 133.345 0.300 . 1 . . . . 22 TYR CD1 . 10186 1 163 . 1 1 22 22 TYR HD1 H 1 7.103 0.030 . 1 . . . . 22 TYR HD1 . 10186 1 164 . 1 1 22 22 TYR CD2 C 13 133.345 0.300 . 1 . . . . 22 TYR CD2 . 10186 1 165 . 1 1 22 22 TYR HD2 H 1 7.103 0.030 . 1 . . . . 22 TYR HD2 . 10186 1 166 . 1 1 22 22 TYR CE1 C 13 117.557 0.300 . 1 . . . . 22 TYR CE1 . 10186 1 167 . 1 1 22 22 TYR HE1 H 1 6.345 0.030 . 1 . . . . 22 TYR HE1 . 10186 1 168 . 1 1 22 22 TYR CE2 C 13 117.557 0.300 . 1 . . . . 22 TYR CE2 . 10186 1 169 . 1 1 22 22 TYR HE2 H 1 6.345 0.030 . 1 . . . . 22 TYR HE2 . 10186 1 170 . 1 1 22 22 TYR C C 13 174.955 0.300 . 1 . . . . 22 TYR C . 10186 1 171 . 1 1 23 23 ASN N N 15 118.657 0.300 . 1 . . . . 23 ASN N . 10186 1 172 . 1 1 23 23 ASN H H 1 9.444 0.030 . 1 . . . . 23 ASN H . 10186 1 173 . 1 1 23 23 ASN CA C 13 54.765 0.300 . 1 . . . . 23 ASN CA . 10186 1 174 . 1 1 23 23 ASN HA H 1 5.029 0.030 . 1 . . . . 23 ASN HA . 10186 1 175 . 1 1 23 23 ASN CB C 13 40.282 0.300 . 1 . . . . 23 ASN CB . 10186 1 176 . 1 1 23 23 ASN HB2 H 1 3.003 0.030 . 2 . . . . 23 ASN HB2 . 10186 1 177 . 1 1 23 23 ASN HB3 H 1 3.089 0.030 . 2 . . . . 23 ASN HB3 . 10186 1 178 . 1 1 23 23 ASN ND2 N 15 112.369 0.300 . 1 . . . . 23 ASN ND2 . 10186 1 179 . 1 1 23 23 ASN HD21 H 1 7.828 0.030 . 2 . . . . 23 ASN HD21 . 10186 1 180 . 1 1 23 23 ASN HD22 H 1 7.096 0.030 . 2 . . . . 23 ASN HD22 . 10186 1 181 . 1 1 23 23 ASN C C 13 175.004 0.300 . 1 . . . . 23 ASN C . 10186 1 182 . 1 1 24 24 GLN N N 15 114.619 0.300 . 1 . . . . 24 GLN N . 10186 1 183 . 1 1 24 24 GLN H H 1 7.579 0.030 . 1 . . . . 24 GLN H . 10186 1 184 . 1 1 24 24 GLN CA C 13 54.151 0.300 . 1 . . . . 24 GLN CA . 10186 1 185 . 1 1 24 24 GLN HA H 1 4.692 0.030 . 1 . . . . 24 GLN HA . 10186 1 186 . 1 1 24 24 GLN CB C 13 31.829 0.300 . 1 . . . . 24 GLN CB . 10186 1 187 . 1 1 24 24 GLN HB2 H 1 1.940 0.030 . 2 . . . . 24 GLN HB2 . 10186 1 188 . 1 1 24 24 GLN HB3 H 1 1.233 0.030 . 2 . . . . 24 GLN HB3 . 10186 1 189 . 1 1 24 24 GLN CG C 13 33.617 0.300 . 1 . . . . 24 GLN CG . 10186 1 190 . 1 1 24 24 GLN HG2 H 1 2.262 0.030 . 2 . . . . 24 GLN HG2 . 10186 1 191 . 1 1 24 24 GLN HG3 H 1 2.329 0.030 . 2 . . . . 24 GLN HG3 . 10186 1 192 . 1 1 24 24 GLN NE2 N 15 111.933 0.300 . 1 . . . . 24 GLN NE2 . 10186 1 193 . 1 1 24 24 GLN HE21 H 1 6.863 0.030 . 2 . . . . 24 GLN HE21 . 10186 1 194 . 1 1 24 24 GLN HE22 H 1 7.510 0.030 . 2 . . . . 24 GLN HE22 . 10186 1 195 . 1 1 24 24 GLN C C 13 175.731 0.300 . 1 . . . . 24 GLN C . 10186 1 196 . 1 1 25 25 ARG N N 15 127.274 0.300 . 1 . . . . 25 ARG N . 10186 1 197 . 1 1 25 25 ARG H H 1 8.350 0.030 . 1 . . . . 25 ARG H . 10186 1 198 . 1 1 25 25 ARG CA C 13 59.687 0.300 . 1 . . . . 25 ARG CA . 10186 1 199 . 1 1 25 25 ARG HA H 1 2.879 0.030 . 1 . . . . 25 ARG HA . 10186 1 200 . 1 1 25 25 ARG CB C 13 29.082 0.300 . 1 . . . . 25 ARG CB . 10186 1 201 . 1 1 25 25 ARG HB2 H 1 0.965 0.030 . 2 . . . . 25 ARG HB2 . 10186 1 202 . 1 1 25 25 ARG HB3 H 1 1.381 0.030 . 2 . . . . 25 ARG HB3 . 10186 1 203 . 1 1 25 25 ARG CG C 13 27.235 0.300 . 1 . . . . 25 ARG CG . 10186 1 204 . 1 1 25 25 ARG HG2 H 1 1.197 0.030 . 2 . . . . 25 ARG HG2 . 10186 1 205 . 1 1 25 25 ARG HG3 H 1 1.315 0.030 . 2 . . . . 25 ARG HG3 . 10186 1 206 . 1 1 25 25 ARG CD C 13 42.931 0.300 . 1 . . . . 25 ARG CD . 10186 1 207 . 1 1 25 25 ARG HD2 H 1 3.005 0.030 . 2 . . . . 25 ARG HD2 . 10186 1 208 . 1 1 25 25 ARG HD3 H 1 3.081 0.030 . 2 . . . . 25 ARG HD3 . 10186 1 209 . 1 1 25 25 ARG C C 13 178.363 0.300 . 1 . . . . 25 ARG C . 10186 1 210 . 1 1 26 26 VAL N N 15 115.093 0.300 . 1 . . . . 26 VAL N . 10186 1 211 . 1 1 26 26 VAL H H 1 8.274 0.030 . 1 . . . . 26 VAL H . 10186 1 212 . 1 1 26 26 VAL CA C 13 64.611 0.300 . 1 . . . . 26 VAL CA . 10186 1 213 . 1 1 26 26 VAL HA H 1 3.908 0.030 . 1 . . . . 26 VAL HA . 10186 1 214 . 1 1 26 26 VAL CB C 13 31.070 0.300 . 1 . . . . 26 VAL CB . 10186 1 215 . 1 1 26 26 VAL HB H 1 1.979 0.030 . 1 . . . . 26 VAL HB . 10186 1 216 . 1 1 26 26 VAL CG1 C 13 20.955 0.300 . 2 . . . . 26 VAL CG1 . 10186 1 217 . 1 1 26 26 VAL HG11 H 1 0.849 0.030 . 1 . . . . 26 VAL HG1 . 10186 1 218 . 1 1 26 26 VAL HG12 H 1 0.849 0.030 . 1 . . . . 26 VAL HG1 . 10186 1 219 . 1 1 26 26 VAL HG13 H 1 0.849 0.030 . 1 . . . . 26 VAL HG1 . 10186 1 220 . 1 1 26 26 VAL CG2 C 13 20.021 0.300 . 2 . . . . 26 VAL CG2 . 10186 1 221 . 1 1 26 26 VAL HG21 H 1 0.687 0.030 . 1 . . . . 26 VAL HG2 . 10186 1 222 . 1 1 26 26 VAL HG22 H 1 0.687 0.030 . 1 . . . . 26 VAL HG2 . 10186 1 223 . 1 1 26 26 VAL HG23 H 1 0.687 0.030 . 1 . . . . 26 VAL HG2 . 10186 1 224 . 1 1 26 26 VAL C C 13 176.893 0.300 . 1 . . . . 26 VAL C . 10186 1 225 . 1 1 27 27 HIS N N 15 119.161 0.300 . 1 . . . . 27 HIS N . 10186 1 226 . 1 1 27 27 HIS H H 1 6.525 0.030 . 1 . . . . 27 HIS H . 10186 1 227 . 1 1 27 27 HIS CA C 13 57.177 0.300 . 1 . . . . 27 HIS CA . 10186 1 228 . 1 1 27 27 HIS HA H 1 4.387 0.030 . 1 . . . . 27 HIS HA . 10186 1 229 . 1 1 27 27 HIS CB C 13 31.423 0.300 . 1 . . . . 27 HIS CB . 10186 1 230 . 1 1 27 27 HIS HB2 H 1 3.167 0.030 . 2 . . . . 27 HIS HB2 . 10186 1 231 . 1 1 27 27 HIS HB3 H 1 2.991 0.030 . 2 . . . . 27 HIS HB3 . 10186 1 232 . 1 1 27 27 HIS CD2 C 13 116.677 0.300 . 1 . . . . 27 HIS CD2 . 10186 1 233 . 1 1 27 27 HIS HD2 H 1 6.922 0.030 . 1 . . . . 27 HIS HD2 . 10186 1 234 . 1 1 27 27 HIS CE1 C 13 138.975 0.300 . 1 . . . . 27 HIS CE1 . 10186 1 235 . 1 1 27 27 HIS HE1 H 1 7.782 0.030 . 1 . . . . 27 HIS HE1 . 10186 1 236 . 1 1 27 27 HIS C C 13 178.508 0.300 . 1 . . . . 27 HIS C . 10186 1 237 . 1 1 28 28 LEU N N 15 121.662 0.300 . 1 . . . . 28 LEU N . 10186 1 238 . 1 1 28 28 LEU H H 1 7.064 0.030 . 1 . . . . 28 LEU H . 10186 1 239 . 1 1 28 28 LEU CA C 13 58.041 0.300 . 1 . . . . 28 LEU CA . 10186 1 240 . 1 1 28 28 LEU HA H 1 3.807 0.030 . 1 . . . . 28 LEU HA . 10186 1 241 . 1 1 28 28 LEU CB C 13 40.232 0.300 . 1 . . . . 28 LEU CB . 10186 1 242 . 1 1 28 28 LEU HB2 H 1 2.158 0.030 . 2 . . . . 28 LEU HB2 . 10186 1 243 . 1 1 28 28 LEU HB3 H 1 1.394 0.030 . 2 . . . . 28 LEU HB3 . 10186 1 244 . 1 1 28 28 LEU CG C 13 27.544 0.300 . 1 . . . . 28 LEU CG . 10186 1 245 . 1 1 28 28 LEU HG H 1 1.596 0.030 . 1 . . . . 28 LEU HG . 10186 1 246 . 1 1 28 28 LEU CD1 C 13 26.478 0.300 . 2 . . . . 28 LEU CD1 . 10186 1 247 . 1 1 28 28 LEU HD11 H 1 1.031 0.030 . 1 . . . . 28 LEU HD1 . 10186 1 248 . 1 1 28 28 LEU HD12 H 1 1.031 0.030 . 1 . . . . 28 LEU HD1 . 10186 1 249 . 1 1 28 28 LEU HD13 H 1 1.031 0.030 . 1 . . . . 28 LEU HD1 . 10186 1 250 . 1 1 28 28 LEU CD2 C 13 22.740 0.300 . 2 . . . . 28 LEU CD2 . 10186 1 251 . 1 1 28 28 LEU HD21 H 1 1.132 0.030 . 1 . . . . 28 LEU HD2 . 10186 1 252 . 1 1 28 28 LEU HD22 H 1 1.132 0.030 . 1 . . . . 28 LEU HD2 . 10186 1 253 . 1 1 28 28 LEU HD23 H 1 1.132 0.030 . 1 . . . . 28 LEU HD2 . 10186 1 254 . 1 1 28 28 LEU C C 13 177.776 0.300 . 1 . . . . 28 LEU C . 10186 1 255 . 1 1 29 29 THR N N 15 116.331 0.300 . 1 . . . . 29 THR N . 10186 1 256 . 1 1 29 29 THR H H 1 8.606 0.030 . 1 . . . . 29 THR H . 10186 1 257 . 1 1 29 29 THR CA C 13 66.300 0.300 . 1 . . . . 29 THR CA . 10186 1 258 . 1 1 29 29 THR HA H 1 4.009 0.030 . 1 . . . . 29 THR HA . 10186 1 259 . 1 1 29 29 THR CB C 13 68.317 0.300 . 1 . . . . 29 THR CB . 10186 1 260 . 1 1 29 29 THR HB H 1 4.152 0.030 . 1 . . . . 29 THR HB . 10186 1 261 . 1 1 29 29 THR CG2 C 13 22.220 0.300 . 1 . . . . 29 THR CG2 . 10186 1 262 . 1 1 29 29 THR HG21 H 1 1.199 0.030 . 1 . . . . 29 THR HG2 . 10186 1 263 . 1 1 29 29 THR HG22 H 1 1.199 0.030 . 1 . . . . 29 THR HG2 . 10186 1 264 . 1 1 29 29 THR HG23 H 1 1.199 0.030 . 1 . . . . 29 THR HG2 . 10186 1 265 . 1 1 29 29 THR C C 13 177.336 0.300 . 1 . . . . 29 THR C . 10186 1 266 . 1 1 30 30 GLN N N 15 119.465 0.300 . 1 . . . . 30 GLN N . 10186 1 267 . 1 1 30 30 GLN H H 1 7.838 0.030 . 1 . . . . 30 GLN H . 10186 1 268 . 1 1 30 30 GLN CA C 13 58.851 0.300 . 1 . . . . 30 GLN CA . 10186 1 269 . 1 1 30 30 GLN HA H 1 3.969 0.030 . 1 . . . . 30 GLN HA . 10186 1 270 . 1 1 30 30 GLN CB C 13 28.349 0.300 . 1 . . . . 30 GLN CB . 10186 1 271 . 1 1 30 30 GLN HB2 H 1 2.028 0.030 . 2 . . . . 30 GLN HB2 . 10186 1 272 . 1 1 30 30 GLN HB3 H 1 2.113 0.030 . 2 . . . . 30 GLN HB3 . 10186 1 273 . 1 1 30 30 GLN CG C 13 33.877 0.300 . 1 . . . . 30 GLN CG . 10186 1 274 . 1 1 30 30 GLN HG2 H 1 2.388 0.030 . 2 . . . . 30 GLN HG2 . 10186 1 275 . 1 1 30 30 GLN HG3 H 1 2.535 0.030 . 2 . . . . 30 GLN HG3 . 10186 1 276 . 1 1 30 30 GLN NE2 N 15 111.292 0.300 . 1 . . . . 30 GLN NE2 . 10186 1 277 . 1 1 30 30 GLN HE21 H 1 7.396 0.030 . 2 . . . . 30 GLN HE21 . 10186 1 278 . 1 1 30 30 GLN HE22 H 1 6.851 0.030 . 2 . . . . 30 GLN HE22 . 10186 1 279 . 1 1 30 30 GLN C C 13 178.722 0.300 . 1 . . . . 30 GLN C . 10186 1 280 . 1 1 31 31 HIS N N 15 119.993 0.300 . 1 . . . . 31 HIS N . 10186 1 281 . 1 1 31 31 HIS H H 1 7.664 0.030 . 1 . . . . 31 HIS H . 10186 1 282 . 1 1 31 31 HIS CA C 13 59.107 0.300 . 1 . . . . 31 HIS CA . 10186 1 283 . 1 1 31 31 HIS HA H 1 4.287 0.030 . 1 . . . . 31 HIS HA . 10186 1 284 . 1 1 31 31 HIS CB C 13 28.026 0.300 . 1 . . . . 31 HIS CB . 10186 1 285 . 1 1 31 31 HIS HB2 H 1 3.404 0.030 . 2 . . . . 31 HIS HB2 . 10186 1 286 . 1 1 31 31 HIS HB3 H 1 3.148 0.030 . 2 . . . . 31 HIS HB3 . 10186 1 287 . 1 1 31 31 HIS CD2 C 13 126.074 0.300 . 1 . . . . 31 HIS CD2 . 10186 1 288 . 1 1 31 31 HIS HD2 H 1 6.914 0.030 . 1 . . . . 31 HIS HD2 . 10186 1 289 . 1 1 31 31 HIS CE1 C 13 139.639 0.300 . 1 . . . . 31 HIS CE1 . 10186 1 290 . 1 1 31 31 HIS HE1 H 1 7.909 0.030 . 1 . . . . 31 HIS HE1 . 10186 1 291 . 1 1 31 31 HIS C C 13 176.251 0.300 . 1 . . . . 31 HIS C . 10186 1 292 . 1 1 32 32 GLN N N 15 115.117 0.300 . 1 . . . . 32 GLN N . 10186 1 293 . 1 1 32 32 GLN H H 1 8.424 0.030 . 1 . . . . 32 GLN H . 10186 1 294 . 1 1 32 32 GLN CA C 13 59.472 0.300 . 1 . . . . 32 GLN CA . 10186 1 295 . 1 1 32 32 GLN HA H 1 3.613 0.030 . 1 . . . . 32 GLN HA . 10186 1 296 . 1 1 32 32 GLN CB C 13 28.286 0.300 . 1 . . . . 32 GLN CB . 10186 1 297 . 1 1 32 32 GLN HB2 H 1 2.237 0.030 . 2 . . . . 32 GLN HB2 . 10186 1 298 . 1 1 32 32 GLN HB3 H 1 2.336 0.030 . 2 . . . . 32 GLN HB3 . 10186 1 299 . 1 1 32 32 GLN CG C 13 35.790 0.300 . 1 . . . . 32 GLN CG . 10186 1 300 . 1 1 32 32 GLN HG2 H 1 2.831 0.030 . 2 . . . . 32 GLN HG2 . 10186 1 301 . 1 1 32 32 GLN HG3 H 1 2.902 0.030 . 2 . . . . 32 GLN HG3 . 10186 1 302 . 1 1 32 32 GLN NE2 N 15 112.865 0.300 . 1 . . . . 32 GLN NE2 . 10186 1 303 . 1 1 32 32 GLN HE21 H 1 7.090 0.030 . 2 . . . . 32 GLN HE21 . 10186 1 304 . 1 1 32 32 GLN HE22 H 1 7.714 0.030 . 2 . . . . 32 GLN HE22 . 10186 1 305 . 1 1 32 32 GLN C C 13 177.186 0.300 . 1 . . . . 32 GLN C . 10186 1 306 . 1 1 33 33 ARG N N 15 117.852 0.300 . 1 . . . . 33 ARG N . 10186 1 307 . 1 1 33 33 ARG H H 1 7.105 0.030 . 1 . . . . 33 ARG H . 10186 1 308 . 1 1 33 33 ARG CA C 13 58.492 0.300 . 1 . . . . 33 ARG CA . 10186 1 309 . 1 1 33 33 ARG HA H 1 4.149 0.030 . 1 . . . . 33 ARG HA . 10186 1 310 . 1 1 33 33 ARG CB C 13 30.080 0.300 . 1 . . . . 33 ARG CB . 10186 1 311 . 1 1 33 33 ARG HB2 H 1 1.790 0.030 . 2 . . . . 33 ARG HB2 . 10186 1 312 . 1 1 33 33 ARG HB3 H 1 1.898 0.030 . 2 . . . . 33 ARG HB3 . 10186 1 313 . 1 1 33 33 ARG CG C 13 27.494 0.300 . 1 . . . . 33 ARG CG . 10186 1 314 . 1 1 33 33 ARG HG2 H 1 1.687 0.030 . 2 . . . . 33 ARG HG2 . 10186 1 315 . 1 1 33 33 ARG HG3 H 1 1.843 0.030 . 2 . . . . 33 ARG HG3 . 10186 1 316 . 1 1 33 33 ARG CD C 13 43.488 0.300 . 1 . . . . 33 ARG CD . 10186 1 317 . 1 1 33 33 ARG HD2 H 1 3.213 0.030 . 1 . . . . 33 ARG HD2 . 10186 1 318 . 1 1 33 33 ARG HD3 H 1 3.213 0.030 . 1 . . . . 33 ARG HD3 . 10186 1 319 . 1 1 33 33 ARG C C 13 178.535 0.300 . 1 . . . . 33 ARG C . 10186 1 320 . 1 1 34 34 VAL N N 15 115.844 0.300 . 1 . . . . 34 VAL N . 10186 1 321 . 1 1 34 34 VAL H H 1 7.971 0.030 . 1 . . . . 34 VAL H . 10186 1 322 . 1 1 34 34 VAL CA C 13 63.982 0.300 . 1 . . . . 34 VAL CA . 10186 1 323 . 1 1 34 34 VAL HA H 1 3.936 0.030 . 1 . . . . 34 VAL HA . 10186 1 324 . 1 1 34 34 VAL CB C 13 31.159 0.300 . 1 . . . . 34 VAL CB . 10186 1 325 . 1 1 34 34 VAL HB H 1 1.946 0.030 . 1 . . . . 34 VAL HB . 10186 1 326 . 1 1 34 34 VAL CG1 C 13 19.531 0.300 . 2 . . . . 34 VAL CG1 . 10186 1 327 . 1 1 34 34 VAL HG11 H 1 0.509 0.030 . 1 . . . . 34 VAL HG1 . 10186 1 328 . 1 1 34 34 VAL HG12 H 1 0.509 0.030 . 1 . . . . 34 VAL HG1 . 10186 1 329 . 1 1 34 34 VAL HG13 H 1 0.509 0.030 . 1 . . . . 34 VAL HG1 . 10186 1 330 . 1 1 34 34 VAL CG2 C 13 19.819 0.300 . 2 . . . . 34 VAL CG2 . 10186 1 331 . 1 1 34 34 VAL HG21 H 1 0.658 0.030 . 1 . . . . 34 VAL HG2 . 10186 1 332 . 1 1 34 34 VAL HG22 H 1 0.658 0.030 . 1 . . . . 34 VAL HG2 . 10186 1 333 . 1 1 34 34 VAL HG23 H 1 0.658 0.030 . 1 . . . . 34 VAL HG2 . 10186 1 334 . 1 1 34 34 VAL C C 13 177.254 0.300 . 1 . . . . 34 VAL C . 10186 1 335 . 1 1 35 35 HIS N N 15 117.345 0.300 . 1 . . . . 35 HIS N . 10186 1 336 . 1 1 35 35 HIS H H 1 7.225 0.030 . 1 . . . . 35 HIS H . 10186 1 337 . 1 1 35 35 HIS CA C 13 55.058 0.300 . 1 . . . . 35 HIS CA . 10186 1 338 . 1 1 35 35 HIS HA H 1 4.895 0.030 . 1 . . . . 35 HIS HA . 10186 1 339 . 1 1 35 35 HIS CB C 13 28.620 0.300 . 1 . . . . 35 HIS CB . 10186 1 340 . 1 1 35 35 HIS HB2 H 1 3.387 0.030 . 2 . . . . 35 HIS HB2 . 10186 1 341 . 1 1 35 35 HIS HB3 H 1 3.218 0.030 . 2 . . . . 35 HIS HB3 . 10186 1 342 . 1 1 35 35 HIS CD2 C 13 127.505 0.300 . 1 . . . . 35 HIS CD2 . 10186 1 343 . 1 1 35 35 HIS HD2 H 1 6.721 0.030 . 1 . . . . 35 HIS HD2 . 10186 1 344 . 1 1 35 35 HIS CE1 C 13 139.962 0.300 . 1 . . . . 35 HIS CE1 . 10186 1 345 . 1 1 35 35 HIS HE1 H 1 8.042 0.030 . 1 . . . . 35 HIS HE1 . 10186 1 346 . 1 1 35 35 HIS C C 13 175.716 0.300 . 1 . . . . 35 HIS C . 10186 1 347 . 1 1 36 36 THR N N 15 111.842 0.300 . 1 . . . . 36 THR N . 10186 1 348 . 1 1 36 36 THR H H 1 7.775 0.030 . 1 . . . . 36 THR H . 10186 1 349 . 1 1 36 36 THR CA C 13 62.514 0.300 . 1 . . . . 36 THR CA . 10186 1 350 . 1 1 36 36 THR HA H 1 4.374 0.030 . 1 . . . . 36 THR HA . 10186 1 351 . 1 1 36 36 THR CB C 13 69.853 0.300 . 1 . . . . 36 THR CB . 10186 1 352 . 1 1 36 36 THR HB H 1 4.339 0.030 . 1 . . . . 36 THR HB . 10186 1 353 . 1 1 36 36 THR CG2 C 13 21.597 0.300 . 1 . . . . 36 THR CG2 . 10186 1 354 . 1 1 36 36 THR HG21 H 1 1.252 0.030 . 1 . . . . 36 THR HG2 . 10186 1 355 . 1 1 36 36 THR HG22 H 1 1.252 0.030 . 1 . . . . 36 THR HG2 . 10186 1 356 . 1 1 36 36 THR HG23 H 1 1.252 0.030 . 1 . . . . 36 THR HG2 . 10186 1 357 . 1 1 36 36 THR C C 13 175.509 0.300 . 1 . . . . 36 THR C . 10186 1 358 . 1 1 37 37 GLY N N 15 110.650 0.300 . 1 . . . . 37 GLY N . 10186 1 359 . 1 1 37 37 GLY H H 1 8.235 0.030 . 1 . . . . 37 GLY H . 10186 1 360 . 1 1 37 37 GLY CA C 13 45.420 0.300 . 1 . . . . 37 GLY CA . 10186 1 361 . 1 1 37 37 GLY HA2 H 1 3.960 0.030 . 2 . . . . 37 GLY HA2 . 10186 1 362 . 1 1 37 37 GLY HA3 H 1 4.040 0.030 . 2 . . . . 37 GLY HA3 . 10186 1 363 . 1 1 37 37 GLY C C 13 173.979 0.300 . 1 . . . . 37 GLY C . 10186 1 364 . 1 1 38 38 GLU N N 15 120.601 0.300 . 1 . . . . 38 GLU N . 10186 1 365 . 1 1 38 38 GLU H H 1 8.101 0.030 . 1 . . . . 38 GLU H . 10186 1 366 . 1 1 38 38 GLU CA C 13 56.476 0.300 . 1 . . . . 38 GLU CA . 10186 1 367 . 1 1 38 38 GLU HA H 1 4.255 0.030 . 1 . . . . 38 GLU HA . 10186 1 368 . 1 1 38 38 GLU CB C 13 30.561 0.300 . 1 . . . . 38 GLU CB . 10186 1 369 . 1 1 38 38 GLU HB2 H 1 1.916 0.030 . 2 . . . . 38 GLU HB2 . 10186 1 370 . 1 1 38 38 GLU HB3 H 1 2.002 0.030 . 2 . . . . 38 GLU HB3 . 10186 1 371 . 1 1 38 38 GLU CG C 13 36.279 0.300 . 1 . . . . 38 GLU CG . 10186 1 372 . 1 1 38 38 GLU HG2 H 1 2.279 0.030 . 2 . . . . 38 GLU HG2 . 10186 1 373 . 1 1 38 38 GLU HG3 H 1 2.225 0.030 . 2 . . . . 38 GLU HG3 . 10186 1 374 . 1 1 38 38 GLU C C 13 176.212 0.300 . 1 . . . . 38 GLU C . 10186 1 375 . 1 1 39 39 LYS N N 15 123.814 0.300 . 1 . . . . 39 LYS N . 10186 1 376 . 1 1 39 39 LYS H H 1 8.413 0.030 . 1 . . . . 39 LYS H . 10186 1 377 . 1 1 39 39 LYS CA C 13 54.245 0.300 . 1 . . . . 39 LYS CA . 10186 1 378 . 1 1 39 39 LYS HA H 1 4.618 0.030 . 1 . . . . 39 LYS HA . 10186 1 379 . 1 1 39 39 LYS CB C 13 32.519 0.300 . 1 . . . . 39 LYS CB . 10186 1 380 . 1 1 39 39 LYS HB2 H 1 1.827 0.030 . 2 . . . . 39 LYS HB2 . 10186 1 381 . 1 1 39 39 LYS HB3 H 1 1.738 0.030 . 2 . . . . 39 LYS HB3 . 10186 1 382 . 1 1 39 39 LYS CG C 13 24.515 0.300 . 1 . . . . 39 LYS CG . 10186 1 383 . 1 1 39 39 LYS HG2 H 1 1.480 0.030 . 1 . . . . 39 LYS HG2 . 10186 1 384 . 1 1 39 39 LYS HG3 H 1 1.480 0.030 . 1 . . . . 39 LYS HG3 . 10186 1 385 . 1 1 39 39 LYS CD C 13 29.151 0.300 . 1 . . . . 39 LYS CD . 10186 1 386 . 1 1 39 39 LYS HD2 H 1 1.699 0.030 . 1 . . . . 39 LYS HD2 . 10186 1 387 . 1 1 39 39 LYS HD3 H 1 1.699 0.030 . 1 . . . . 39 LYS HD3 . 10186 1 388 . 1 1 39 39 LYS CE C 13 42.211 0.300 . 1 . . . . 39 LYS CE . 10186 1 389 . 1 1 39 39 LYS HE2 H 1 3.013 0.030 . 1 . . . . 39 LYS HE2 . 10186 1 390 . 1 1 39 39 LYS HE3 H 1 3.013 0.030 . 1 . . . . 39 LYS HE3 . 10186 1 391 . 1 1 39 39 LYS C C 13 174.467 0.300 . 1 . . . . 39 LYS C . 10186 1 392 . 1 1 40 40 PRO CA C 13 63.219 0.300 . 1 . . . . 40 PRO CA . 10186 1 393 . 1 1 40 40 PRO HA H 1 4.467 0.030 . 1 . . . . 40 PRO HA . 10186 1 394 . 1 1 40 40 PRO CB C 13 32.203 0.300 . 1 . . . . 40 PRO CB . 10186 1 395 . 1 1 40 40 PRO HB2 H 1 2.309 0.030 . 2 . . . . 40 PRO HB2 . 10186 1 396 . 1 1 40 40 PRO HB3 H 1 1.949 0.030 . 2 . . . . 40 PRO HB3 . 10186 1 397 . 1 1 40 40 PRO CG C 13 27.411 0.300 . 1 . . . . 40 PRO CG . 10186 1 398 . 1 1 40 40 PRO HG2 H 1 2.028 0.030 . 1 . . . . 40 PRO HG2 . 10186 1 399 . 1 1 40 40 PRO HG3 H 1 2.028 0.030 . 1 . . . . 40 PRO HG3 . 10186 1 400 . 1 1 40 40 PRO CD C 13 50.682 0.300 . 1 . . . . 40 PRO CD . 10186 1 401 . 1 1 40 40 PRO HD2 H 1 3.655 0.030 . 2 . . . . 40 PRO HD2 . 10186 1 402 . 1 1 40 40 PRO HD3 H 1 3.828 0.030 . 2 . . . . 40 PRO HD3 . 10186 1 403 . 1 1 40 40 PRO C C 13 173.930 0.300 . 1 . . . . 40 PRO C . 10186 1 404 . 1 1 41 41 SER N N 15 116.519 0.300 . 1 . . . . 41 SER N . 10186 1 405 . 1 1 41 41 SER H H 1 8.488 0.030 . 1 . . . . 41 SER H . 10186 1 406 . 1 1 41 41 SER C C 13 178.949 0.300 . 1 . . . . 41 SER C . 10186 1 407 . 1 1 42 42 GLY CA C 13 44.689 0.300 . 1 . . . . 42 GLY CA . 10186 1 408 . 1 1 42 42 GLY HA2 H 1 4.119 0.030 . 2 . . . . 42 GLY HA2 . 10186 1 409 . 1 1 42 42 GLY HA3 H 1 4.173 0.030 . 2 . . . . 42 GLY HA3 . 10186 1 410 . 1 1 43 43 PRO CA C 13 63.267 0.300 . 1 . . . . 43 PRO CA . 10186 1 411 . 1 1 43 43 PRO HA H 1 4.485 0.030 . 1 . . . . 43 PRO HA . 10186 1 412 . 1 1 43 43 PRO CB C 13 32.227 0.300 . 1 . . . . 43 PRO CB . 10186 1 413 . 1 1 43 43 PRO HB2 H 1 2.303 0.030 . 2 . . . . 43 PRO HB2 . 10186 1 414 . 1 1 43 43 PRO HB3 H 1 1.968 0.030 . 2 . . . . 43 PRO HB3 . 10186 1 415 . 1 1 43 43 PRO CG C 13 27.179 0.300 . 1 . . . . 43 PRO CG . 10186 1 416 . 1 1 43 43 PRO HG2 H 1 2.026 0.030 . 1 . . . . 43 PRO HG2 . 10186 1 417 . 1 1 43 43 PRO HG3 H 1 2.026 0.030 . 1 . . . . 43 PRO HG3 . 10186 1 418 . 1 1 43 43 PRO CD C 13 49.806 0.300 . 1 . . . . 43 PRO CD . 10186 1 419 . 1 1 43 43 PRO HD2 H 1 3.636 0.030 . 1 . . . . 43 PRO HD2 . 10186 1 420 . 1 1 43 43 PRO HD3 H 1 3.636 0.030 . 1 . . . . 43 PRO HD3 . 10186 1 421 . 1 1 45 45 SER CA C 13 58.370 0.300 . 1 . . . . 45 SER CA . 10186 1 422 . 1 1 45 45 SER HA H 1 4.495 0.030 . 1 . . . . 45 SER HA . 10186 1 423 . 1 1 45 45 SER CB C 13 64.018 0.300 . 1 . . . . 45 SER CB . 10186 1 424 . 1 1 45 45 SER HB2 H 1 3.879 0.030 . 2 . . . . 45 SER HB2 . 10186 1 425 . 1 1 45 45 SER C C 13 173.890 0.300 . 1 . . . . 45 SER C . 10186 1 426 . 1 1 46 46 GLY N N 15 116.869 0.300 . 1 . . . . 46 GLY N . 10186 1 427 . 1 1 46 46 GLY H H 1 8.053 0.030 . 1 . . . . 46 GLY H . 10186 1 428 . 1 1 46 46 GLY CA C 13 46.243 0.300 . 1 . . . . 46 GLY CA . 10186 1 429 . 1 1 46 46 GLY HA2 H 1 3.806 0.030 . 2 . . . . 46 GLY HA2 . 10186 1 430 . 1 1 46 46 GLY HA3 H 1 3.764 0.030 . 2 . . . . 46 GLY HA3 . 10186 1 431 . 1 1 46 46 GLY C C 13 178.949 0.300 . 1 . . . . 46 GLY C . 10186 1 stop_ save_