################################### # 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 10205 _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 10205 1 2 '3D 15N-separated NOESY' 1 $sample_1 isotropic 10205 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 45.360 0.300 . 1 . . . . 7 GLY CA . 10205 1 2 . 1 1 7 7 GLY HA2 H 1 3.977 0.030 . 1 . . . . 7 GLY HA2 . 10205 1 3 . 1 1 7 7 GLY HA3 H 1 3.977 0.030 . 1 . . . . 7 GLY HA3 . 10205 1 4 . 1 1 7 7 GLY C C 13 174.507 0.300 . 1 . . . . 7 GLY C . 10205 1 5 . 1 1 8 8 THR N N 15 112.829 0.300 . 1 . . . . 8 THR N . 10205 1 6 . 1 1 8 8 THR H H 1 8.115 0.030 . 1 . . . . 8 THR H . 10205 1 7 . 1 1 8 8 THR CA C 13 61.759 0.300 . 1 . . . . 8 THR CA . 10205 1 8 . 1 1 8 8 THR HA H 1 4.312 0.030 . 1 . . . . 8 THR HA . 10205 1 9 . 1 1 8 8 THR CB C 13 69.817 0.300 . 1 . . . . 8 THR CB . 10205 1 10 . 1 1 8 8 THR HB H 1 4.234 0.030 . 1 . . . . 8 THR HB . 10205 1 11 . 1 1 8 8 THR CG2 C 13 21.470 0.300 . 1 . . . . 8 THR CG2 . 10205 1 12 . 1 1 8 8 THR HG21 H 1 1.127 0.030 . 1 . . . . 8 THR HG2 . 10205 1 13 . 1 1 8 8 THR HG22 H 1 1.127 0.030 . 1 . . . . 8 THR HG2 . 10205 1 14 . 1 1 8 8 THR HG23 H 1 1.127 0.030 . 1 . . . . 8 THR HG2 . 10205 1 15 . 1 1 8 8 THR C C 13 175.249 0.300 . 1 . . . . 8 THR C . 10205 1 16 . 1 1 9 9 GLY N N 15 110.896 0.300 . 1 . . . . 9 GLY N . 10205 1 17 . 1 1 9 9 GLY H H 1 8.416 0.030 . 1 . . . . 9 GLY H . 10205 1 18 . 1 1 9 9 GLY CA C 13 45.299 0.300 . 1 . . . . 9 GLY CA . 10205 1 19 . 1 1 9 9 GLY HA2 H 1 3.900 0.030 . 1 . . . . 9 GLY HA2 . 10205 1 20 . 1 1 9 9 GLY HA3 H 1 3.900 0.030 . 1 . . . . 9 GLY HA3 . 10205 1 21 . 1 1 9 9 GLY C C 13 174.082 0.300 . 1 . . . . 9 GLY C . 10205 1 22 . 1 1 10 10 GLU N N 15 120.023 0.300 . 1 . . . . 10 GLU N . 10205 1 23 . 1 1 10 10 GLU H H 1 8.184 0.030 . 1 . . . . 10 GLU H . 10205 1 24 . 1 1 10 10 GLU CA C 13 56.936 0.300 . 1 . . . . 10 GLU CA . 10205 1 25 . 1 1 10 10 GLU HA H 1 4.102 0.030 . 1 . . . . 10 GLU HA . 10205 1 26 . 1 1 10 10 GLU CB C 13 30.327 0.300 . 1 . . . . 10 GLU CB . 10205 1 27 . 1 1 10 10 GLU HB2 H 1 1.924 0.030 . 2 . . . . 10 GLU HB2 . 10205 1 28 . 1 1 10 10 GLU HB3 H 1 1.836 0.030 . 2 . . . . 10 GLU HB3 . 10205 1 29 . 1 1 10 10 GLU CG C 13 36.229 0.300 . 1 . . . . 10 GLU CG . 10205 1 30 . 1 1 10 10 GLU HG2 H 1 2.145 0.030 . 2 . . . . 10 GLU HG2 . 10205 1 31 . 1 1 10 10 GLU HG3 H 1 2.202 0.030 . 2 . . . . 10 GLU HG3 . 10205 1 32 . 1 1 10 10 GLU C C 13 176.503 0.300 . 1 . . . . 10 GLU C . 10205 1 33 . 1 1 11 11 LYS N N 15 121.280 0.300 . 1 . . . . 11 LYS N . 10205 1 34 . 1 1 11 11 LYS H H 1 8.281 0.030 . 1 . . . . 11 LYS H . 10205 1 35 . 1 1 11 11 LYS CA C 13 53.669 0.300 . 1 . . . . 11 LYS CA . 10205 1 36 . 1 1 11 11 LYS HA H 1 4.388 0.030 . 1 . . . . 11 LYS HA . 10205 1 37 . 1 1 11 11 LYS CB C 13 33.080 0.300 . 1 . . . . 11 LYS CB . 10205 1 38 . 1 1 11 11 LYS HB2 H 1 1.503 0.030 . 2 . . . . 11 LYS HB2 . 10205 1 39 . 1 1 11 11 LYS HB3 H 1 1.319 0.030 . 2 . . . . 11 LYS HB3 . 10205 1 40 . 1 1 11 11 LYS CG C 13 24.720 0.300 . 1 . . . . 11 LYS CG . 10205 1 41 . 1 1 11 11 LYS HG2 H 1 1.093 0.030 . 2 . . . . 11 LYS HG2 . 10205 1 42 . 1 1 11 11 LYS HG3 H 1 1.236 0.030 . 2 . . . . 11 LYS HG3 . 10205 1 43 . 1 1 11 11 LYS CD C 13 29.432 0.300 . 1 . . . . 11 LYS CD . 10205 1 44 . 1 1 11 11 LYS HD2 H 1 1.457 0.030 . 2 . . . . 11 LYS HD2 . 10205 1 45 . 1 1 11 11 LYS HD3 H 1 1.418 0.030 . 2 . . . . 11 LYS HD3 . 10205 1 46 . 1 1 11 11 LYS CE C 13 42.237 0.300 . 1 . . . . 11 LYS CE . 10205 1 47 . 1 1 11 11 LYS HE2 H 1 2.848 0.030 . 1 . . . . 11 LYS HE2 . 10205 1 48 . 1 1 11 11 LYS HE3 H 1 2.848 0.030 . 1 . . . . 11 LYS HE3 . 10205 1 49 . 1 1 11 11 LYS C C 13 173.641 0.300 . 1 . . . . 11 LYS C . 10205 1 50 . 1 1 12 12 PRO CA C 13 63.359 0.300 . 1 . . . . 12 PRO CA . 10205 1 51 . 1 1 12 12 PRO HA H 1 4.181 0.030 . 1 . . . . 12 PRO HA . 10205 1 52 . 1 1 12 12 PRO CB C 13 32.233 0.300 . 1 . . . . 12 PRO CB . 10205 1 53 . 1 1 12 12 PRO HB2 H 1 1.904 0.030 . 2 . . . . 12 PRO HB2 . 10205 1 54 . 1 1 12 12 PRO HB3 H 1 1.060 0.030 . 2 . . . . 12 PRO HB3 . 10205 1 55 . 1 1 12 12 PRO CG C 13 26.369 0.300 . 1 . . . . 12 PRO CG . 10205 1 56 . 1 1 12 12 PRO HG2 H 1 1.284 0.030 . 2 . . . . 12 PRO HG2 . 10205 1 57 . 1 1 12 12 PRO HG3 H 1 1.635 0.030 . 2 . . . . 12 PRO HG3 . 10205 1 58 . 1 1 12 12 PRO CD C 13 50.113 0.300 . 1 . . . . 12 PRO CD . 10205 1 59 . 1 1 12 12 PRO HD2 H 1 3.458 0.030 . 1 . . . . 12 PRO HD2 . 10205 1 60 . 1 1 12 12 PRO HD3 H 1 3.458 0.030 . 1 . . . . 12 PRO HD3 . 10205 1 61 . 1 1 12 12 PRO C C 13 176.415 0.300 . 1 . . . . 12 PRO C . 10205 1 62 . 1 1 13 13 TYR N N 15 118.435 0.300 . 1 . . . . 13 TYR N . 10205 1 63 . 1 1 13 13 TYR H H 1 7.798 0.030 . 1 . . . . 13 TYR H . 10205 1 64 . 1 1 13 13 TYR CA C 13 57.003 0.300 . 1 . . . . 13 TYR CA . 10205 1 65 . 1 1 13 13 TYR HA H 1 4.666 0.030 . 1 . . . . 13 TYR HA . 10205 1 66 . 1 1 13 13 TYR CB C 13 38.081 0.300 . 1 . . . . 13 TYR CB . 10205 1 67 . 1 1 13 13 TYR HB2 H 1 2.962 0.030 . 2 . . . . 13 TYR HB2 . 10205 1 68 . 1 1 13 13 TYR HB3 H 1 2.732 0.030 . 2 . . . . 13 TYR HB3 . 10205 1 69 . 1 1 13 13 TYR CD1 C 13 132.843 0.300 . 1 . . . . 13 TYR CD1 . 10205 1 70 . 1 1 13 13 TYR HD1 H 1 6.875 0.030 . 1 . . . . 13 TYR HD1 . 10205 1 71 . 1 1 13 13 TYR CD2 C 13 132.843 0.300 . 1 . . . . 13 TYR CD2 . 10205 1 72 . 1 1 13 13 TYR HD2 H 1 6.875 0.030 . 1 . . . . 13 TYR HD2 . 10205 1 73 . 1 1 13 13 TYR CE1 C 13 118.397 0.300 . 1 . . . . 13 TYR CE1 . 10205 1 74 . 1 1 13 13 TYR HE1 H 1 6.758 0.030 . 1 . . . . 13 TYR HE1 . 10205 1 75 . 1 1 13 13 TYR CE2 C 13 118.397 0.300 . 1 . . . . 13 TYR CE2 . 10205 1 76 . 1 1 13 13 TYR HE2 H 1 6.758 0.030 . 1 . . . . 13 TYR HE2 . 10205 1 77 . 1 1 13 13 TYR C C 13 174.560 0.300 . 1 . . . . 13 TYR C . 10205 1 78 . 1 1 14 14 GLU N N 15 124.052 0.300 . 1 . . . . 14 GLU N . 10205 1 79 . 1 1 14 14 GLU H H 1 8.452 0.030 . 1 . . . . 14 GLU H . 10205 1 80 . 1 1 14 14 GLU CA C 13 55.017 0.300 . 1 . . . . 14 GLU CA . 10205 1 81 . 1 1 14 14 GLU HA H 1 4.842 0.030 . 1 . . . . 14 GLU HA . 10205 1 82 . 1 1 14 14 GLU CB C 13 32.845 0.300 . 1 . . . . 14 GLU CB . 10205 1 83 . 1 1 14 14 GLU HB2 H 1 1.774 0.030 . 1 . . . . 14 GLU HB2 . 10205 1 84 . 1 1 14 14 GLU HB3 H 1 1.774 0.030 . 1 . . . . 14 GLU HB3 . 10205 1 85 . 1 1 14 14 GLU CG C 13 36.440 0.300 . 1 . . . . 14 GLU CG . 10205 1 86 . 1 1 14 14 GLU HG2 H 1 1.871 0.030 . 2 . . . . 14 GLU HG2 . 10205 1 87 . 1 1 14 14 GLU HG3 H 1 1.954 0.030 . 2 . . . . 14 GLU HG3 . 10205 1 88 . 1 1 14 14 GLU C C 13 175.274 0.300 . 1 . . . . 14 GLU C . 10205 1 89 . 1 1 15 15 CYS N N 15 126.436 0.300 . 1 . . . . 15 CYS N . 10205 1 90 . 1 1 15 15 CYS H H 1 9.246 0.030 . 1 . . . . 15 CYS H . 10205 1 91 . 1 1 15 15 CYS CA C 13 59.316 0.300 . 1 . . . . 15 CYS CA . 10205 1 92 . 1 1 15 15 CYS HA H 1 4.516 0.030 . 1 . . . . 15 CYS HA . 10205 1 93 . 1 1 15 15 CYS CB C 13 29.534 0.300 . 1 . . . . 15 CYS CB . 10205 1 94 . 1 1 15 15 CYS HB2 H 1 3.381 0.030 . 2 . . . . 15 CYS HB2 . 10205 1 95 . 1 1 15 15 CYS HB3 H 1 2.845 0.030 . 2 . . . . 15 CYS HB3 . 10205 1 96 . 1 1 15 15 CYS C C 13 177.358 0.300 . 1 . . . . 15 CYS C . 10205 1 97 . 1 1 16 16 LYS N N 15 117.311 0.300 . 1 . . . . 16 LYS N . 10205 1 98 . 1 1 16 16 LYS H H 1 9.330 0.030 . 1 . . . . 16 LYS H . 10205 1 99 . 1 1 16 16 LYS CA C 13 58.072 0.300 . 1 . . . . 16 LYS CA . 10205 1 100 . 1 1 16 16 LYS HA H 1 4.136 0.030 . 1 . . . . 16 LYS HA . 10205 1 101 . 1 1 16 16 LYS CB C 13 31.984 0.300 . 1 . . . . 16 LYS CB . 10205 1 102 . 1 1 16 16 LYS HB2 H 1 1.879 0.030 . 1 . . . . 16 LYS HB2 . 10205 1 103 . 1 1 16 16 LYS HB3 H 1 1.879 0.030 . 1 . . . . 16 LYS HB3 . 10205 1 104 . 1 1 16 16 LYS CG C 13 24.847 0.300 . 1 . . . . 16 LYS CG . 10205 1 105 . 1 1 16 16 LYS HG2 H 1 1.514 0.030 . 1 . . . . 16 LYS HG2 . 10205 1 106 . 1 1 16 16 LYS HG3 H 1 1.514 0.030 . 1 . . . . 16 LYS HG3 . 10205 1 107 . 1 1 16 16 LYS CD C 13 28.688 0.300 . 1 . . . . 16 LYS CD . 10205 1 108 . 1 1 16 16 LYS HD2 H 1 1.651 0.030 . 1 . . . . 16 LYS HD2 . 10205 1 109 . 1 1 16 16 LYS HD3 H 1 1.651 0.030 . 1 . . . . 16 LYS HD3 . 10205 1 110 . 1 1 16 16 LYS CE C 13 42.117 0.300 . 1 . . . . 16 LYS CE . 10205 1 111 . 1 1 16 16 LYS HE2 H 1 2.977 0.030 . 1 . . . . 16 LYS HE2 . 10205 1 112 . 1 1 16 16 LYS HE3 H 1 2.977 0.030 . 1 . . . . 16 LYS HE3 . 10205 1 113 . 1 1 16 16 LYS C C 13 177.050 0.300 . 1 . . . . 16 LYS C . 10205 1 114 . 1 1 17 17 GLU N N 15 119.733 0.300 . 1 . . . . 17 GLU N . 10205 1 115 . 1 1 17 17 GLU H H 1 8.535 0.030 . 1 . . . . 17 GLU H . 10205 1 116 . 1 1 17 17 GLU CA C 13 58.258 0.300 . 1 . . . . 17 GLU CA . 10205 1 117 . 1 1 17 17 GLU HA H 1 4.129 0.030 . 1 . . . . 17 GLU HA . 10205 1 118 . 1 1 17 17 GLU CB C 13 29.273 0.300 . 1 . . . . 17 GLU CB . 10205 1 119 . 1 1 17 17 GLU HB2 H 1 1.290 0.030 . 1 . . . . 17 GLU HB2 . 10205 1 120 . 1 1 17 17 GLU HB3 H 1 1.290 0.030 . 1 . . . . 17 GLU HB3 . 10205 1 121 . 1 1 17 17 GLU CG C 13 35.598 0.300 . 1 . . . . 17 GLU CG . 10205 1 122 . 1 1 17 17 GLU HG2 H 1 1.833 0.030 . 2 . . . . 17 GLU HG2 . 10205 1 123 . 1 1 17 17 GLU HG3 H 1 1.725 0.030 . 2 . . . . 17 GLU HG3 . 10205 1 124 . 1 1 17 17 GLU C C 13 177.315 0.300 . 1 . . . . 17 GLU C . 10205 1 125 . 1 1 18 18 CYS N N 15 129.046 0.300 . 1 . . . . 18 CYS N . 10205 1 126 . 1 1 18 18 CYS H H 1 7.834 0.030 . 1 . . . . 18 CYS H . 10205 1 127 . 1 1 18 18 CYS CA C 13 58.321 0.300 . 1 . . . . 18 CYS CA . 10205 1 128 . 1 1 18 18 CYS HA H 1 5.122 0.030 . 1 . . . . 18 CYS HA . 10205 1 129 . 1 1 18 18 CYS CB C 13 32.639 0.300 . 1 . . . . 18 CYS CB . 10205 1 130 . 1 1 18 18 CYS HB2 H 1 2.798 0.030 . 2 . . . . 18 CYS HB2 . 10205 1 131 . 1 1 18 18 CYS HB3 H 1 3.381 0.030 . 2 . . . . 18 CYS HB3 . 10205 1 132 . 1 1 18 18 CYS C C 13 176.226 0.300 . 1 . . . . 18 CYS C . 10205 1 133 . 1 1 19 19 GLY N N 15 113.826 0.300 . 1 . . . . 19 GLY N . 10205 1 134 . 1 1 19 19 GLY H H 1 8.242 0.030 . 1 . . . . 19 GLY H . 10205 1 135 . 1 1 19 19 GLY CA C 13 46.088 0.300 . 1 . . . . 19 GLY CA . 10205 1 136 . 1 1 19 19 GLY HA2 H 1 4.179 0.030 . 2 . . . . 19 GLY HA2 . 10205 1 137 . 1 1 19 19 GLY HA3 H 1 3.816 0.030 . 2 . . . . 19 GLY HA3 . 10205 1 138 . 1 1 19 19 GLY C C 13 173.827 0.300 . 1 . . . . 19 GLY C . 10205 1 139 . 1 1 20 20 LYS N N 15 122.964 0.300 . 1 . . . . 20 LYS N . 10205 1 140 . 1 1 20 20 LYS H H 1 7.922 0.030 . 1 . . . . 20 LYS H . 10205 1 141 . 1 1 20 20 LYS CA C 13 58.100 0.300 . 1 . . . . 20 LYS CA . 10205 1 142 . 1 1 20 20 LYS HA H 1 3.891 0.030 . 1 . . . . 20 LYS HA . 10205 1 143 . 1 1 20 20 LYS CB C 13 33.635 0.300 . 1 . . . . 20 LYS CB . 10205 1 144 . 1 1 20 20 LYS HB2 H 1 1.342 0.030 . 2 . . . . 20 LYS HB2 . 10205 1 145 . 1 1 20 20 LYS HB3 H 1 1.158 0.030 . 2 . . . . 20 LYS HB3 . 10205 1 146 . 1 1 20 20 LYS CG C 13 26.202 0.300 . 1 . . . . 20 LYS CG . 10205 1 147 . 1 1 20 20 LYS HG2 H 1 1.027 0.030 . 2 . . . . 20 LYS HG2 . 10205 1 148 . 1 1 20 20 LYS HG3 H 1 1.358 0.030 . 2 . . . . 20 LYS HG3 . 10205 1 149 . 1 1 20 20 LYS CD C 13 29.243 0.300 . 1 . . . . 20 LYS CD . 10205 1 150 . 1 1 20 20 LYS HD2 H 1 1.390 0.030 . 2 . . . . 20 LYS HD2 . 10205 1 151 . 1 1 20 20 LYS HD3 H 1 1.440 0.030 . 2 . . . . 20 LYS HD3 . 10205 1 152 . 1 1 20 20 LYS CE C 13 42.151 0.300 . 1 . . . . 20 LYS CE . 10205 1 153 . 1 1 20 20 LYS HE2 H 1 2.858 0.030 . 2 . . . . 20 LYS HE2 . 10205 1 154 . 1 1 20 20 LYS HE3 H 1 2.926 0.030 . 2 . . . . 20 LYS HE3 . 10205 1 155 . 1 1 20 20 LYS C C 13 173.610 0.300 . 1 . . . . 20 LYS C . 10205 1 156 . 1 1 21 21 ALA N N 15 123.854 0.300 . 1 . . . . 21 ALA N . 10205 1 157 . 1 1 21 21 ALA H H 1 7.723 0.030 . 1 . . . . 21 ALA H . 10205 1 158 . 1 1 21 21 ALA CA C 13 50.412 0.300 . 1 . . . . 21 ALA CA . 10205 1 159 . 1 1 21 21 ALA HA H 1 5.067 0.030 . 1 . . . . 21 ALA HA . 10205 1 160 . 1 1 21 21 ALA CB C 13 22.154 0.300 . 1 . . . . 21 ALA CB . 10205 1 161 . 1 1 21 21 ALA HB1 H 1 1.171 0.030 . 1 . . . . 21 ALA HB . 10205 1 162 . 1 1 21 21 ALA HB2 H 1 1.171 0.030 . 1 . . . . 21 ALA HB . 10205 1 163 . 1 1 21 21 ALA HB3 H 1 1.171 0.030 . 1 . . . . 21 ALA HB . 10205 1 164 . 1 1 21 21 ALA C C 13 176.234 0.300 . 1 . . . . 21 ALA C . 10205 1 165 . 1 1 22 22 PHE N N 15 116.521 0.300 . 1 . . . . 22 PHE N . 10205 1 166 . 1 1 22 22 PHE H H 1 8.639 0.030 . 1 . . . . 22 PHE H . 10205 1 167 . 1 1 22 22 PHE CA C 13 57.304 0.300 . 1 . . . . 22 PHE CA . 10205 1 168 . 1 1 22 22 PHE HA H 1 4.745 0.030 . 1 . . . . 22 PHE HA . 10205 1 169 . 1 1 22 22 PHE CB C 13 44.191 0.300 . 1 . . . . 22 PHE CB . 10205 1 170 . 1 1 22 22 PHE HB2 H 1 3.518 0.030 . 2 . . . . 22 PHE HB2 . 10205 1 171 . 1 1 22 22 PHE HB3 H 1 2.741 0.030 . 2 . . . . 22 PHE HB3 . 10205 1 172 . 1 1 22 22 PHE CD1 C 13 132.447 0.300 . 1 . . . . 22 PHE CD1 . 10205 1 173 . 1 1 22 22 PHE HD1 H 1 7.272 0.030 . 1 . . . . 22 PHE HD1 . 10205 1 174 . 1 1 22 22 PHE CD2 C 13 132.447 0.300 . 1 . . . . 22 PHE CD2 . 10205 1 175 . 1 1 22 22 PHE HD2 H 1 7.272 0.030 . 1 . . . . 22 PHE HD2 . 10205 1 176 . 1 1 22 22 PHE CE1 C 13 130.698 0.300 . 1 . . . . 22 PHE CE1 . 10205 1 177 . 1 1 22 22 PHE HE1 H 1 6.819 0.030 . 1 . . . . 22 PHE HE1 . 10205 1 178 . 1 1 22 22 PHE CE2 C 13 130.698 0.300 . 1 . . . . 22 PHE CE2 . 10205 1 179 . 1 1 22 22 PHE HE2 H 1 6.819 0.030 . 1 . . . . 22 PHE HE2 . 10205 1 180 . 1 1 22 22 PHE CZ C 13 128.905 0.300 . 1 . . . . 22 PHE CZ . 10205 1 181 . 1 1 22 22 PHE HZ H 1 6.208 0.030 . 1 . . . . 22 PHE HZ . 10205 1 182 . 1 1 22 22 PHE C C 13 175.366 0.300 . 1 . . . . 22 PHE C . 10205 1 183 . 1 1 23 23 SER N N 15 115.521 0.300 . 1 . . . . 23 SER N . 10205 1 184 . 1 1 23 23 SER H H 1 9.661 0.030 . 1 . . . . 23 SER H . 10205 1 185 . 1 1 23 23 SER CA C 13 59.967 0.300 . 1 . . . . 23 SER CA . 10205 1 186 . 1 1 23 23 SER HA H 1 4.679 0.030 . 1 . . . . 23 SER HA . 10205 1 187 . 1 1 23 23 SER CB C 13 64.445 0.300 . 1 . . . . 23 SER CB . 10205 1 188 . 1 1 23 23 SER HB2 H 1 4.139 0.030 . 2 . . . . 23 SER HB2 . 10205 1 189 . 1 1 23 23 SER HB3 H 1 4.043 0.030 . 2 . . . . 23 SER HB3 . 10205 1 190 . 1 1 23 23 SER C C 13 174.027 0.300 . 1 . . . . 23 SER C . 10205 1 191 . 1 1 24 24 GLN N N 15 115.852 0.300 . 1 . . . . 24 GLN N . 10205 1 192 . 1 1 24 24 GLN H H 1 7.218 0.030 . 1 . . . . 24 GLN H . 10205 1 193 . 1 1 24 24 GLN CA C 13 53.982 0.300 . 1 . . . . 24 GLN CA . 10205 1 194 . 1 1 24 24 GLN HA H 1 4.834 0.030 . 1 . . . . 24 GLN HA . 10205 1 195 . 1 1 24 24 GLN CB C 13 32.152 0.300 . 1 . . . . 24 GLN CB . 10205 1 196 . 1 1 24 24 GLN HB2 H 1 2.017 0.030 . 2 . . . . 24 GLN HB2 . 10205 1 197 . 1 1 24 24 GLN HB3 H 1 0.987 0.030 . 2 . . . . 24 GLN HB3 . 10205 1 198 . 1 1 24 24 GLN CG C 13 33.378 0.300 . 1 . . . . 24 GLN CG . 10205 1 199 . 1 1 24 24 GLN HG2 H 1 2.103 0.030 . 2 . . . . 24 GLN HG2 . 10205 1 200 . 1 1 24 24 GLN HG3 H 1 2.222 0.030 . 2 . . . . 24 GLN HG3 . 10205 1 201 . 1 1 24 24 GLN NE2 N 15 111.850 0.300 . 1 . . . . 24 GLN NE2 . 10205 1 202 . 1 1 24 24 GLN HE21 H 1 7.381 0.030 . 2 . . . . 24 GLN HE21 . 10205 1 203 . 1 1 24 24 GLN HE22 H 1 6.805 0.030 . 2 . . . . 24 GLN HE22 . 10205 1 204 . 1 1 24 24 GLN C C 13 176.620 0.300 . 1 . . . . 24 GLN C . 10205 1 205 . 1 1 25 25 THR CA C 13 65.709 0.300 . 1 . . . . 25 THR CA . 10205 1 206 . 1 1 25 25 THR HA H 1 3.211 0.030 . 1 . . . . 25 THR HA . 10205 1 207 . 1 1 25 25 THR CB C 13 67.811 0.300 . 1 . . . . 25 THR CB . 10205 1 208 . 1 1 25 25 THR HB H 1 3.808 0.030 . 1 . . . . 25 THR HB . 10205 1 209 . 1 1 25 25 THR CG2 C 13 21.689 0.300 . 1 . . . . 25 THR CG2 . 10205 1 210 . 1 1 25 25 THR HG21 H 1 0.739 0.030 . 1 . . . . 25 THR HG2 . 10205 1 211 . 1 1 25 25 THR HG22 H 1 0.739 0.030 . 1 . . . . 25 THR HG2 . 10205 1 212 . 1 1 25 25 THR HG23 H 1 0.739 0.030 . 1 . . . . 25 THR HG2 . 10205 1 213 . 1 1 25 25 THR C C 13 176.919 0.300 . 1 . . . . 25 THR C . 10205 1 214 . 1 1 26 26 THR N N 15 112.897 0.300 . 1 . . . . 26 THR N . 10205 1 215 . 1 1 26 26 THR H H 1 7.831 0.030 . 1 . . . . 26 THR H . 10205 1 216 . 1 1 26 26 THR CA C 13 65.080 0.300 . 1 . . . . 26 THR CA . 10205 1 217 . 1 1 26 26 THR HA H 1 3.757 0.030 . 1 . . . . 26 THR HA . 10205 1 218 . 1 1 26 26 THR CB C 13 68.011 0.300 . 1 . . . . 26 THR CB . 10205 1 219 . 1 1 26 26 THR HB H 1 3.948 0.030 . 1 . . . . 26 THR HB . 10205 1 220 . 1 1 26 26 THR CG2 C 13 22.077 0.300 . 1 . . . . 26 THR CG2 . 10205 1 221 . 1 1 26 26 THR HG21 H 1 1.105 0.030 . 1 . . . . 26 THR HG2 . 10205 1 222 . 1 1 26 26 THR HG22 H 1 1.105 0.030 . 1 . . . . 26 THR HG2 . 10205 1 223 . 1 1 26 26 THR HG23 H 1 1.105 0.030 . 1 . . . . 26 THR HG2 . 10205 1 224 . 1 1 26 26 THR C C 13 176.443 0.300 . 1 . . . . 26 THR C . 10205 1 225 . 1 1 27 27 HIS N N 15 119.551 0.300 . 1 . . . . 27 HIS N . 10205 1 226 . 1 1 27 27 HIS H H 1 6.604 0.030 . 1 . . . . 27 HIS H . 10205 1 227 . 1 1 27 27 HIS CA C 13 56.982 0.300 . 1 . . . . 27 HIS CA . 10205 1 228 . 1 1 27 27 HIS HA H 1 4.367 0.030 . 1 . . . . 27 HIS HA . 10205 1 229 . 1 1 27 27 HIS CB C 13 31.824 0.300 . 1 . . . . 27 HIS CB . 10205 1 230 . 1 1 27 27 HIS HB2 H 1 3.240 0.030 . 1 . . . . 27 HIS HB2 . 10205 1 231 . 1 1 27 27 HIS HB3 H 1 3.240 0.030 . 1 . . . . 27 HIS HB3 . 10205 1 232 . 1 1 27 27 HIS CD2 C 13 116.664 0.300 . 1 . . . . 27 HIS CD2 . 10205 1 233 . 1 1 27 27 HIS HD2 H 1 6.862 0.030 . 1 . . . . 27 HIS HD2 . 10205 1 234 . 1 1 27 27 HIS CE1 C 13 139.104 0.300 . 1 . . . . 27 HIS CE1 . 10205 1 235 . 1 1 27 27 HIS HE1 H 1 7.722 0.030 . 1 . . . . 27 HIS HE1 . 10205 1 236 . 1 1 27 27 HIS C C 13 178.059 0.300 . 1 . . . . 27 HIS C . 10205 1 237 . 1 1 28 28 LEU N N 15 121.872 0.300 . 1 . . . . 28 LEU N . 10205 1 238 . 1 1 28 28 LEU H H 1 6.995 0.030 . 1 . . . . 28 LEU H . 10205 1 239 . 1 1 28 28 LEU CA C 13 57.919 0.300 . 1 . . . . 28 LEU CA . 10205 1 240 . 1 1 28 28 LEU HA H 1 3.210 0.030 . 1 . . . . 28 LEU HA . 10205 1 241 . 1 1 28 28 LEU CB C 13 40.630 0.300 . 1 . . . . 28 LEU CB . 10205 1 242 . 1 1 28 28 LEU HB2 H 1 1.957 0.030 . 2 . . . . 28 LEU HB2 . 10205 1 243 . 1 1 28 28 LEU HB3 H 1 1.190 0.030 . 2 . . . . 28 LEU HB3 . 10205 1 244 . 1 1 28 28 LEU CG C 13 27.421 0.300 . 1 . . . . 28 LEU CG . 10205 1 245 . 1 1 28 28 LEU HG H 1 1.446 0.030 . 1 . . . . 28 LEU HG . 10205 1 246 . 1 1 28 28 LEU CD1 C 13 26.263 0.300 . 2 . . . . 28 LEU CD1 . 10205 1 247 . 1 1 28 28 LEU HD11 H 1 0.899 0.030 . 1 . . . . 28 LEU HD1 . 10205 1 248 . 1 1 28 28 LEU HD12 H 1 0.899 0.030 . 1 . . . . 28 LEU HD1 . 10205 1 249 . 1 1 28 28 LEU HD13 H 1 0.899 0.030 . 1 . . . . 28 LEU HD1 . 10205 1 250 . 1 1 28 28 LEU CD2 C 13 22.865 0.300 . 2 . . . . 28 LEU CD2 . 10205 1 251 . 1 1 28 28 LEU HD21 H 1 0.971 0.030 . 1 . . . . 28 LEU HD2 . 10205 1 252 . 1 1 28 28 LEU HD22 H 1 0.971 0.030 . 1 . . . . 28 LEU HD2 . 10205 1 253 . 1 1 28 28 LEU HD23 H 1 0.971 0.030 . 1 . . . . 28 LEU HD2 . 10205 1 254 . 1 1 28 28 LEU C C 13 177.447 0.300 . 1 . . . . 28 LEU C . 10205 1 255 . 1 1 29 29 ILE N N 15 119.734 0.300 . 1 . . . . 29 ILE N . 10205 1 256 . 1 1 29 29 ILE H H 1 8.121 0.030 . 1 . . . . 29 ILE H . 10205 1 257 . 1 1 29 29 ILE CA C 13 64.592 0.300 . 1 . . . . 29 ILE CA . 10205 1 258 . 1 1 29 29 ILE HA H 1 3.681 0.030 . 1 . . . . 29 ILE HA . 10205 1 259 . 1 1 29 29 ILE CB C 13 37.668 0.300 . 1 . . . . 29 ILE CB . 10205 1 260 . 1 1 29 29 ILE HB H 1 1.731 0.030 . 1 . . . . 29 ILE HB . 10205 1 261 . 1 1 29 29 ILE CG1 C 13 28.912 0.300 . 1 . . . . 29 ILE CG1 . 10205 1 262 . 1 1 29 29 ILE HG12 H 1 1.498 0.030 . 2 . . . . 29 ILE HG12 . 10205 1 263 . 1 1 29 29 ILE HG13 H 1 1.119 0.030 . 2 . . . . 29 ILE HG13 . 10205 1 264 . 1 1 29 29 ILE CG2 C 13 17.091 0.300 . 1 . . . . 29 ILE CG2 . 10205 1 265 . 1 1 29 29 ILE HG21 H 1 0.809 0.030 . 1 . . . . 29 ILE HG2 . 10205 1 266 . 1 1 29 29 ILE HG22 H 1 0.809 0.030 . 1 . . . . 29 ILE HG2 . 10205 1 267 . 1 1 29 29 ILE HG23 H 1 0.809 0.030 . 1 . . . . 29 ILE HG2 . 10205 1 268 . 1 1 29 29 ILE CD1 C 13 12.522 0.300 . 1 . . . . 29 ILE CD1 . 10205 1 269 . 1 1 29 29 ILE HD11 H 1 0.691 0.030 . 1 . . . . 29 ILE HD1 . 10205 1 270 . 1 1 29 29 ILE HD12 H 1 0.691 0.030 . 1 . . . . 29 ILE HD1 . 10205 1 271 . 1 1 29 29 ILE HD13 H 1 0.691 0.030 . 1 . . . . 29 ILE HD1 . 10205 1 272 . 1 1 29 29 ILE C C 13 179.288 0.300 . 1 . . . . 29 ILE C . 10205 1 273 . 1 1 30 30 GLN N N 15 117.944 0.300 . 1 . . . . 30 GLN N . 10205 1 274 . 1 1 30 30 GLN H H 1 7.660 0.030 . 1 . . . . 30 GLN H . 10205 1 275 . 1 1 30 30 GLN CA C 13 58.702 0.300 . 1 . . . . 30 GLN CA . 10205 1 276 . 1 1 30 30 GLN HA H 1 3.893 0.030 . 1 . . . . 30 GLN HA . 10205 1 277 . 1 1 30 30 GLN CB C 13 28.308 0.300 . 1 . . . . 30 GLN CB . 10205 1 278 . 1 1 30 30 GLN HB2 H 1 2.005 0.030 . 1 . . . . 30 GLN HB2 . 10205 1 279 . 1 1 30 30 GLN HB3 H 1 2.005 0.030 . 1 . . . . 30 GLN HB3 . 10205 1 280 . 1 1 30 30 GLN CG C 13 33.709 0.300 . 1 . . . . 30 GLN CG . 10205 1 281 . 1 1 30 30 GLN HG2 H 1 2.345 0.030 . 2 . . . . 30 GLN HG2 . 10205 1 282 . 1 1 30 30 GLN HG3 H 1 2.427 0.030 . 2 . . . . 30 GLN HG3 . 10205 1 283 . 1 1 30 30 GLN NE2 N 15 111.939 0.300 . 1 . . . . 30 GLN NE2 . 10205 1 284 . 1 1 30 30 GLN HE21 H 1 7.385 0.030 . 2 . . . . 30 GLN HE21 . 10205 1 285 . 1 1 30 30 GLN HE22 H 1 6.817 0.030 . 2 . . . . 30 GLN HE22 . 10205 1 286 . 1 1 30 30 GLN C C 13 178.753 0.300 . 1 . . . . 30 GLN C . 10205 1 287 . 1 1 31 31 HIS N N 15 118.960 0.300 . 1 . . . . 31 HIS N . 10205 1 288 . 1 1 31 31 HIS H H 1 7.639 0.030 . 1 . . . . 31 HIS H . 10205 1 289 . 1 1 31 31 HIS CA C 13 58.828 0.300 . 1 . . . . 31 HIS CA . 10205 1 290 . 1 1 31 31 HIS HA H 1 4.183 0.030 . 1 . . . . 31 HIS HA . 10205 1 291 . 1 1 31 31 HIS CB C 13 28.483 0.300 . 1 . . . . 31 HIS CB . 10205 1 292 . 1 1 31 31 HIS HB2 H 1 3.115 0.030 . 2 . . . . 31 HIS HB2 . 10205 1 293 . 1 1 31 31 HIS HB3 H 1 2.840 0.030 . 2 . . . . 31 HIS HB3 . 10205 1 294 . 1 1 31 31 HIS CD2 C 13 127.250 0.300 . 1 . . . . 31 HIS CD2 . 10205 1 295 . 1 1 31 31 HIS HD2 H 1 6.906 0.030 . 1 . . . . 31 HIS HD2 . 10205 1 296 . 1 1 31 31 HIS CE1 C 13 139.761 0.300 . 1 . . . . 31 HIS CE1 . 10205 1 297 . 1 1 31 31 HIS HE1 H 1 7.962 0.030 . 1 . . . . 31 HIS HE1 . 10205 1 298 . 1 1 31 31 HIS C C 13 175.999 0.300 . 1 . . . . 31 HIS C . 10205 1 299 . 1 1 32 32 GLN N N 15 115.694 0.300 . 1 . . . . 32 GLN N . 10205 1 300 . 1 1 32 32 GLN H H 1 8.201 0.030 . 1 . . . . 32 GLN H . 10205 1 301 . 1 1 32 32 GLN CA C 13 59.179 0.300 . 1 . . . . 32 GLN CA . 10205 1 302 . 1 1 32 32 GLN HA H 1 3.596 0.030 . 1 . . . . 32 GLN HA . 10205 1 303 . 1 1 32 32 GLN CB C 13 28.048 0.300 . 1 . . . . 32 GLN CB . 10205 1 304 . 1 1 32 32 GLN HB2 H 1 2.161 0.030 . 2 . . . . 32 GLN HB2 . 10205 1 305 . 1 1 32 32 GLN HB3 H 1 2.249 0.030 . 2 . . . . 32 GLN HB3 . 10205 1 306 . 1 1 32 32 GLN CG C 13 35.202 0.300 . 1 . . . . 32 GLN CG . 10205 1 307 . 1 1 32 32 GLN HG2 H 1 2.781 0.030 . 1 . . . . 32 GLN HG2 . 10205 1 308 . 1 1 32 32 GLN HG3 H 1 2.781 0.030 . 1 . . . . 32 GLN HG3 . 10205 1 309 . 1 1 32 32 GLN NE2 N 15 112.089 0.300 . 1 . . . . 32 GLN NE2 . 10205 1 310 . 1 1 32 32 GLN HE21 H 1 7.499 0.030 . 2 . . . . 32 GLN HE21 . 10205 1 311 . 1 1 32 32 GLN HE22 H 1 6.955 0.030 . 2 . . . . 32 GLN HE22 . 10205 1 312 . 1 1 32 32 GLN C C 13 177.337 0.300 . 1 . . . . 32 GLN C . 10205 1 313 . 1 1 33 33 ARG N N 15 117.574 0.300 . 1 . . . . 33 ARG N . 10205 1 314 . 1 1 33 33 ARG H H 1 7.079 0.030 . 1 . . . . 33 ARG H . 10205 1 315 . 1 1 33 33 ARG CA C 13 58.431 0.300 . 1 . . . . 33 ARG CA . 10205 1 316 . 1 1 33 33 ARG HA H 1 4.090 0.030 . 1 . . . . 33 ARG HA . 10205 1 317 . 1 1 33 33 ARG CB C 13 29.971 0.300 . 1 . . . . 33 ARG CB . 10205 1 318 . 1 1 33 33 ARG HB2 H 1 1.733 0.030 . 2 . . . . 33 ARG HB2 . 10205 1 319 . 1 1 33 33 ARG HB3 H 1 1.825 0.030 . 2 . . . . 33 ARG HB3 . 10205 1 320 . 1 1 33 33 ARG CG C 13 27.464 0.300 . 1 . . . . 33 ARG CG . 10205 1 321 . 1 1 33 33 ARG HG2 H 1 1.611 0.030 . 2 . . . . 33 ARG HG2 . 10205 1 322 . 1 1 33 33 ARG HG3 H 1 1.755 0.030 . 2 . . . . 33 ARG HG3 . 10205 1 323 . 1 1 33 33 ARG CD C 13 43.449 0.300 . 1 . . . . 33 ARG CD . 10205 1 324 . 1 1 33 33 ARG HD2 H 1 3.138 0.030 . 2 . . . . 33 ARG HD2 . 10205 1 325 . 1 1 33 33 ARG C C 13 178.500 0.300 . 1 . . . . 33 ARG C . 10205 1 326 . 1 1 34 34 VAL N N 15 116.091 0.300 . 1 . . . . 34 VAL N . 10205 1 327 . 1 1 34 34 VAL H H 1 7.860 0.030 . 1 . . . . 34 VAL H . 10205 1 328 . 1 1 34 34 VAL CA C 13 63.986 0.300 . 1 . . . . 34 VAL CA . 10205 1 329 . 1 1 34 34 VAL HA H 1 3.853 0.030 . 1 . . . . 34 VAL HA . 10205 1 330 . 1 1 34 34 VAL CB C 13 31.100 0.300 . 1 . . . . 34 VAL CB . 10205 1 331 . 1 1 34 34 VAL HB H 1 1.844 0.030 . 1 . . . . 34 VAL HB . 10205 1 332 . 1 1 34 34 VAL CG1 C 13 19.783 0.300 . 2 . . . . 34 VAL CG1 . 10205 1 333 . 1 1 34 34 VAL HG11 H 1 0.580 0.030 . 1 . . . . 34 VAL HG1 . 10205 1 334 . 1 1 34 34 VAL HG12 H 1 0.580 0.030 . 1 . . . . 34 VAL HG1 . 10205 1 335 . 1 1 34 34 VAL HG13 H 1 0.580 0.030 . 1 . . . . 34 VAL HG1 . 10205 1 336 . 1 1 34 34 VAL CG2 C 13 19.584 0.300 . 2 . . . . 34 VAL CG2 . 10205 1 337 . 1 1 34 34 VAL HG21 H 1 0.442 0.030 . 1 . . . . 34 VAL HG2 . 10205 1 338 . 1 1 34 34 VAL HG22 H 1 0.442 0.030 . 1 . . . . 34 VAL HG2 . 10205 1 339 . 1 1 34 34 VAL HG23 H 1 0.442 0.030 . 1 . . . . 34 VAL HG2 . 10205 1 340 . 1 1 34 34 VAL C C 13 177.255 0.300 . 1 . . . . 34 VAL C . 10205 1 341 . 1 1 35 35 HIS N N 15 117.210 0.300 . 1 . . . . 35 HIS N . 10205 1 342 . 1 1 35 35 HIS H H 1 7.164 0.030 . 1 . . . . 35 HIS H . 10205 1 343 . 1 1 35 35 HIS CA C 13 55.166 0.300 . 1 . . . . 35 HIS CA . 10205 1 344 . 1 1 35 35 HIS HA H 1 4.811 0.030 . 1 . . . . 35 HIS HA . 10205 1 345 . 1 1 35 35 HIS CB C 13 28.575 0.300 . 1 . . . . 35 HIS CB . 10205 1 346 . 1 1 35 35 HIS HB2 H 1 3.308 0.030 . 2 . . . . 35 HIS HB2 . 10205 1 347 . 1 1 35 35 HIS HB3 H 1 3.141 0.030 . 2 . . . . 35 HIS HB3 . 10205 1 348 . 1 1 35 35 HIS CD2 C 13 127.443 0.300 . 1 . . . . 35 HIS CD2 . 10205 1 349 . 1 1 35 35 HIS HD2 H 1 6.652 0.030 . 1 . . . . 35 HIS HD2 . 10205 1 350 . 1 1 35 35 HIS CE1 C 13 139.967 0.300 . 1 . . . . 35 HIS CE1 . 10205 1 351 . 1 1 35 35 HIS HE1 H 1 7.982 0.030 . 1 . . . . 35 HIS HE1 . 10205 1 352 . 1 1 35 35 HIS C C 13 175.753 0.300 . 1 . . . . 35 HIS C . 10205 1 353 . 1 1 36 36 THR N N 15 111.834 0.300 . 1 . . . . 36 THR N . 10205 1 354 . 1 1 36 36 THR H H 1 7.736 0.030 . 1 . . . . 36 THR H . 10205 1 355 . 1 1 36 36 THR CA C 13 62.474 0.300 . 1 . . . . 36 THR CA . 10205 1 356 . 1 1 36 36 THR HA H 1 4.296 0.030 . 1 . . . . 36 THR HA . 10205 1 357 . 1 1 36 36 THR CB C 13 69.785 0.300 . 1 . . . . 36 THR CB . 10205 1 358 . 1 1 36 36 THR HB H 1 4.265 0.030 . 1 . . . . 36 THR HB . 10205 1 359 . 1 1 36 36 THR CG2 C 13 21.542 0.300 . 1 . . . . 36 THR CG2 . 10205 1 360 . 1 1 36 36 THR HG21 H 1 1.184 0.030 . 1 . . . . 36 THR HG2 . 10205 1 361 . 1 1 36 36 THR HG22 H 1 1.184 0.030 . 1 . . . . 36 THR HG2 . 10205 1 362 . 1 1 36 36 THR HG23 H 1 1.184 0.030 . 1 . . . . 36 THR HG2 . 10205 1 363 . 1 1 36 36 THR C C 13 175.464 0.300 . 1 . . . . 36 THR C . 10205 1 364 . 1 1 37 37 GLY N N 15 110.633 0.300 . 1 . . . . 37 GLY N . 10205 1 365 . 1 1 37 37 GLY H H 1 8.203 0.030 . 1 . . . . 37 GLY H . 10205 1 366 . 1 1 37 37 GLY CA C 13 45.294 0.300 . 1 . . . . 37 GLY CA . 10205 1 367 . 1 1 37 37 GLY HA2 H 1 3.963 0.030 . 2 . . . . 37 GLY HA2 . 10205 1 368 . 1 1 37 37 GLY HA3 H 1 3.898 0.030 . 2 . . . . 37 GLY HA3 . 10205 1 369 . 1 1 37 37 GLY C C 13 174.023 0.300 . 1 . . . . 37 GLY C . 10205 1 370 . 1 1 38 38 GLU N N 15 120.541 0.300 . 1 . . . . 38 GLU N . 10205 1 371 . 1 1 38 38 GLU H H 1 8.056 0.030 . 1 . . . . 38 GLU H . 10205 1 372 . 1 1 38 38 GLU CA C 13 56.376 0.300 . 1 . . . . 38 GLU CA . 10205 1 373 . 1 1 38 38 GLU HA H 1 4.185 0.030 . 1 . . . . 38 GLU HA . 10205 1 374 . 1 1 38 38 GLU CB C 13 30.483 0.300 . 1 . . . . 38 GLU CB . 10205 1 375 . 1 1 38 38 GLU HB2 H 1 1.931 0.030 . 2 . . . . 38 GLU HB2 . 10205 1 376 . 1 1 38 38 GLU HB3 H 1 1.847 0.030 . 2 . . . . 38 GLU HB3 . 10205 1 377 . 1 1 38 38 GLU CG C 13 36.214 0.300 . 1 . . . . 38 GLU CG . 10205 1 378 . 1 1 38 38 GLU HG2 H 1 2.150 0.030 . 2 . . . . 38 GLU HG2 . 10205 1 379 . 1 1 38 38 GLU HG3 H 1 2.212 0.030 . 2 . . . . 38 GLU HG3 . 10205 1 380 . 1 1 38 38 GLU C C 13 176.222 0.300 . 1 . . . . 38 GLU C . 10205 1 381 . 1 1 39 39 LYS N N 15 123.877 0.300 . 1 . . . . 39 LYS N . 10205 1 382 . 1 1 39 39 LYS H H 1 8.382 0.030 . 1 . . . . 39 LYS H . 10205 1 383 . 1 1 39 39 LYS CA C 13 54.071 0.300 . 1 . . . . 39 LYS CA . 10205 1 384 . 1 1 39 39 LYS HA H 1 4.545 0.030 . 1 . . . . 39 LYS HA . 10205 1 385 . 1 1 39 39 LYS CB C 13 32.423 0.300 . 1 . . . . 39 LYS CB . 10205 1 386 . 1 1 39 39 LYS HB2 H 1 1.667 0.030 . 2 . . . . 39 LYS HB2 . 10205 1 387 . 1 1 39 39 LYS HB3 H 1 1.757 0.030 . 2 . . . . 39 LYS HB3 . 10205 1 388 . 1 1 39 39 LYS CG C 13 24.456 0.300 . 1 . . . . 39 LYS CG . 10205 1 389 . 1 1 39 39 LYS HG2 H 1 1.412 0.030 . 1 . . . . 39 LYS HG2 . 10205 1 390 . 1 1 39 39 LYS HG3 H 1 1.412 0.030 . 1 . . . . 39 LYS HG3 . 10205 1 391 . 1 1 39 39 LYS CD C 13 29.089 0.300 . 1 . . . . 39 LYS CD . 10205 1 392 . 1 1 39 39 LYS HD2 H 1 1.628 0.030 . 1 . . . . 39 LYS HD2 . 10205 1 393 . 1 1 39 39 LYS HD3 H 1 1.628 0.030 . 1 . . . . 39 LYS HD3 . 10205 1 394 . 1 1 39 39 LYS CE C 13 42.137 0.300 . 1 . . . . 39 LYS CE . 10205 1 395 . 1 1 39 39 LYS HE2 H 1 2.987 0.030 . 2 . . . . 39 LYS HE2 . 10205 1 396 . 1 1 39 39 LYS C C 13 174.477 0.300 . 1 . . . . 39 LYS C . 10205 1 397 . 1 1 40 40 PRO CA C 13 63.142 0.300 . 1 . . . . 40 PRO CA . 10205 1 398 . 1 1 40 40 PRO HA H 1 4.399 0.030 . 1 . . . . 40 PRO HA . 10205 1 399 . 1 1 40 40 PRO CB C 13 32.100 0.300 . 1 . . . . 40 PRO CB . 10205 1 400 . 1 1 40 40 PRO HB2 H 1 2.248 0.030 . 2 . . . . 40 PRO HB2 . 10205 1 401 . 1 1 40 40 PRO HB3 H 1 1.878 0.030 . 2 . . . . 40 PRO HB3 . 10205 1 402 . 1 1 40 40 PRO CG C 13 27.350 0.300 . 1 . . . . 40 PRO CG . 10205 1 403 . 1 1 40 40 PRO HG2 H 1 1.964 0.030 . 1 . . . . 40 PRO HG2 . 10205 1 404 . 1 1 40 40 PRO HG3 H 1 1.964 0.030 . 1 . . . . 40 PRO HG3 . 10205 1 405 . 1 1 40 40 PRO CD C 13 50.641 0.300 . 1 . . . . 40 PRO CD . 10205 1 406 . 1 1 40 40 PRO HD2 H 1 3.588 0.030 . 2 . . . . 40 PRO HD2 . 10205 1 407 . 1 1 40 40 PRO HD3 H 1 3.763 0.030 . 2 . . . . 40 PRO HD3 . 10205 1 408 . 1 1 40 40 PRO C C 13 176.965 0.300 . 1 . . . . 40 PRO C . 10205 1 409 . 1 1 41 41 SER N N 15 116.545 0.300 . 1 . . . . 41 SER N . 10205 1 410 . 1 1 41 41 SER H H 1 8.456 0.030 . 1 . . . . 41 SER H . 10205 1 411 . 1 1 41 41 SER CA C 13 58.303 0.300 . 1 . . . . 41 SER CA . 10205 1 412 . 1 1 41 41 SER HA H 1 4.418 0.030 . 1 . . . . 41 SER HA . 10205 1 413 . 1 1 41 41 SER CB C 13 64.033 0.300 . 1 . . . . 41 SER CB . 10205 1 414 . 1 1 41 41 SER HB2 H 1 3.824 0.030 . 1 . . . . 41 SER HB2 . 10205 1 415 . 1 1 41 41 SER HB3 H 1 3.824 0.030 . 1 . . . . 41 SER HB3 . 10205 1 416 . 1 1 41 41 SER C C 13 174.604 0.300 . 1 . . . . 41 SER C . 10205 1 417 . 1 1 42 42 GLY CA C 13 44.595 0.300 . 1 . . . . 42 GLY CA . 10205 1 418 . 1 1 42 42 GLY HA2 H 1 4.043 0.030 . 2 . . . . 42 GLY HA2 . 10205 1 419 . 1 1 42 42 GLY HA3 H 1 4.102 0.030 . 2 . . . . 42 GLY HA3 . 10205 1 420 . 1 1 43 43 PRO CA C 13 63.183 0.300 . 1 . . . . 43 PRO CA . 10205 1 421 . 1 1 43 43 PRO HA H 1 4.409 0.030 . 1 . . . . 43 PRO HA . 10205 1 422 . 1 1 43 43 PRO CB C 13 32.160 0.300 . 1 . . . . 43 PRO CB . 10205 1 423 . 1 1 43 43 PRO HB2 H 1 2.239 0.030 . 2 . . . . 43 PRO HB2 . 10205 1 424 . 1 1 43 43 PRO HB3 H 1 1.912 0.030 . 2 . . . . 43 PRO HB3 . 10205 1 425 . 1 1 43 43 PRO CG C 13 27.137 0.300 . 1 . . . . 43 PRO CG . 10205 1 426 . 1 1 43 43 PRO HG2 H 1 1.958 0.030 . 1 . . . . 43 PRO HG2 . 10205 1 427 . 1 1 43 43 PRO HG3 H 1 1.958 0.030 . 1 . . . . 43 PRO HG3 . 10205 1 428 . 1 1 43 43 PRO CD C 13 49.720 0.300 . 1 . . . . 43 PRO CD . 10205 1 429 . 1 1 43 43 PRO HD2 H 1 3.568 0.030 . 1 . . . . 43 PRO HD2 . 10205 1 430 . 1 1 43 43 PRO HD3 H 1 3.568 0.030 . 1 . . . . 43 PRO HD3 . 10205 1 431 . 1 1 45 45 SER CA C 13 58.358 0.300 . 1 . . . . 45 SER CA . 10205 1 432 . 1 1 45 45 SER HA H 1 4.458 0.030 . 1 . . . . 45 SER HA . 10205 1 433 . 1 1 45 45 SER CB C 13 64.035 0.300 . 1 . . . . 45 SER CB . 10205 1 434 . 1 1 45 45 SER HB2 H 1 3.847 0.030 . 2 . . . . 45 SER HB2 . 10205 1 435 . 1 1 45 45 SER C C 13 173.906 0.300 . 1 . . . . 45 SER C . 10205 1 436 . 1 1 46 46 GLY N N 15 116.835 0.300 . 1 . . . . 46 GLY N . 10205 1 437 . 1 1 46 46 GLY H H 1 8.019 0.030 . 1 . . . . 46 GLY H . 10205 1 438 . 1 1 46 46 GLY CA C 13 46.121 0.300 . 1 . . . . 46 GLY CA . 10205 1 439 . 1 1 46 46 GLY HA2 H 1 3.738 0.030 . 2 . . . . 46 GLY HA2 . 10205 1 440 . 1 1 46 46 GLY HA3 H 1 3.687 0.030 . 2 . . . . 46 GLY HA3 . 10205 1 441 . 1 1 46 46 GLY C C 13 178.964 0.300 . 1 . . . . 46 GLY C . 10205 1 stop_ save_