################################### # 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 10185 _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 10185 1 2 '3D 15N-separated NOESY' 1 $sample_1 isotropic 10185 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 45.428 0.300 . 1 . . . . 7 GLY CA . 10185 1 2 . 1 1 7 7 GLY HA2 H 1 4.049 0.030 . 1 . . . . 7 GLY HA2 . 10185 1 3 . 1 1 7 7 GLY HA3 H 1 4.049 0.030 . 1 . . . . 7 GLY HA3 . 10185 1 4 . 1 1 7 7 GLY C C 13 174.518 0.300 . 1 . . . . 7 GLY C . 10185 1 5 . 1 1 8 8 THR N N 15 112.808 0.300 . 1 . . . . 8 THR N . 10185 1 6 . 1 1 8 8 THR H H 1 8.145 0.030 . 1 . . . . 8 THR H . 10185 1 7 . 1 1 8 8 THR CA C 13 61.842 0.300 . 1 . . . . 8 THR CA . 10185 1 8 . 1 1 8 8 THR HA H 1 4.361 0.030 . 1 . . . . 8 THR HA . 10185 1 9 . 1 1 8 8 THR CB C 13 69.802 0.300 . 1 . . . . 8 THR CB . 10185 1 10 . 1 1 8 8 THR HB H 1 4.292 0.030 . 1 . . . . 8 THR HB . 10185 1 11 . 1 1 8 8 THR CG2 C 13 21.515 0.300 . 1 . . . . 8 THR CG2 . 10185 1 12 . 1 1 8 8 THR HG21 H 1 1.177 0.030 . 1 . . . . 8 THR HG2 . 10185 1 13 . 1 1 8 8 THR HG22 H 1 1.177 0.030 . 1 . . . . 8 THR HG2 . 10185 1 14 . 1 1 8 8 THR HG23 H 1 1.177 0.030 . 1 . . . . 8 THR HG2 . 10185 1 15 . 1 1 8 8 THR C C 13 175.285 0.300 . 1 . . . . 8 THR C . 10185 1 16 . 1 1 9 9 GLY N N 15 110.918 0.300 . 1 . . . . 9 GLY N . 10185 1 17 . 1 1 9 9 GLY H H 1 8.318 0.030 . 1 . . . . 9 GLY H . 10185 1 18 . 1 1 9 9 GLY CA C 13 45.316 0.300 . 1 . . . . 9 GLY CA . 10185 1 19 . 1 1 9 9 GLY HA2 H 1 3.961 0.030 . 1 . . . . 9 GLY HA2 . 10185 1 20 . 1 1 9 9 GLY HA3 H 1 3.961 0.030 . 1 . . . . 9 GLY HA3 . 10185 1 21 . 1 1 10 10 GLU N N 15 120.269 0.300 . 1 . . . . 10 GLU N . 10185 1 22 . 1 1 10 10 GLU H H 1 8.223 0.030 . 1 . . . . 10 GLU H . 10185 1 23 . 1 1 10 10 GLU CA C 13 56.774 0.300 . 1 . . . . 10 GLU CA . 10185 1 24 . 1 1 10 10 GLU HA H 1 4.196 0.030 . 1 . . . . 10 GLU HA . 10185 1 25 . 1 1 10 10 GLU CB C 13 30.450 0.300 . 1 . . . . 10 GLU CB . 10185 1 26 . 1 1 10 10 GLU HB2 H 1 1.986 0.030 . 2 . . . . 10 GLU HB2 . 10185 1 27 . 1 1 10 10 GLU HB3 H 1 1.881 0.030 . 2 . . . . 10 GLU HB3 . 10185 1 28 . 1 1 10 10 GLU CG C 13 36.265 0.300 . 1 . . . . 10 GLU CG . 10185 1 29 . 1 1 10 10 GLU HG2 H 1 2.206 0.030 . 2 . . . . 10 GLU HG2 . 10185 1 30 . 1 1 10 10 GLU HG3 H 1 2.247 0.030 . 2 . . . . 10 GLU HG3 . 10185 1 31 . 1 1 10 10 GLU C C 13 176.312 0.300 . 1 . . . . 10 GLU C . 10185 1 32 . 1 1 11 11 LYS N N 15 121.676 0.300 . 1 . . . . 11 LYS N . 10185 1 33 . 1 1 11 11 LYS H H 1 8.287 0.030 . 1 . . . . 11 LYS H . 10185 1 34 . 1 1 11 11 LYS CA C 13 53.916 0.300 . 1 . . . . 11 LYS CA . 10185 1 35 . 1 1 11 11 LYS HA H 1 4.497 0.030 . 1 . . . . 11 LYS HA . 10185 1 36 . 1 1 11 11 LYS CB C 13 32.952 0.300 . 1 . . . . 11 LYS CB . 10185 1 37 . 1 1 11 11 LYS HB2 H 1 1.559 0.030 . 2 . . . . 11 LYS HB2 . 10185 1 38 . 1 1 11 11 LYS HB3 H 1 1.490 0.030 . 2 . . . . 11 LYS HB3 . 10185 1 39 . 1 1 11 11 LYS CG C 13 24.768 0.300 . 1 . . . . 11 LYS CG . 10185 1 40 . 1 1 11 11 LYS HG2 H 1 1.206 0.030 . 2 . . . . 11 LYS HG2 . 10185 1 41 . 1 1 11 11 LYS HG3 H 1 1.329 0.030 . 2 . . . . 11 LYS HG3 . 10185 1 42 . 1 1 11 11 LYS CD C 13 29.338 0.300 . 1 . . . . 11 LYS CD . 10185 1 43 . 1 1 11 11 LYS HD2 H 1 1.510 0.030 . 1 . . . . 11 LYS HD2 . 10185 1 44 . 1 1 11 11 LYS HD3 H 1 1.510 0.030 . 1 . . . . 11 LYS HD3 . 10185 1 45 . 1 1 11 11 LYS CE C 13 42.222 0.300 . 1 . . . . 11 LYS CE . 10185 1 46 . 1 1 11 11 LYS HE2 H 1 2.921 0.030 . 1 . . . . 11 LYS HE2 . 10185 1 47 . 1 1 11 11 LYS HE3 H 1 2.921 0.030 . 1 . . . . 11 LYS HE3 . 10185 1 48 . 1 1 11 11 LYS C C 13 174.005 0.300 . 1 . . . . 11 LYS C . 10185 1 49 . 1 1 12 12 PRO CA C 13 63.420 0.300 . 1 . . . . 12 PRO CA . 10185 1 50 . 1 1 12 12 PRO HA H 1 4.272 0.030 . 1 . . . . 12 PRO HA . 10185 1 51 . 1 1 12 12 PRO CB C 13 32.270 0.300 . 1 . . . . 12 PRO CB . 10185 1 52 . 1 1 12 12 PRO HB2 H 1 2.003 0.030 . 2 . . . . 12 PRO HB2 . 10185 1 53 . 1 1 12 12 PRO HB3 H 1 1.330 0.030 . 2 . . . . 12 PRO HB3 . 10185 1 54 . 1 1 12 12 PRO CG C 13 26.867 0.300 . 1 . . . . 12 PRO CG . 10185 1 55 . 1 1 12 12 PRO HG2 H 1 1.695 0.030 . 2 . . . . 12 PRO HG2 . 10185 1 56 . 1 1 12 12 PRO HG3 H 1 1.811 0.030 . 2 . . . . 12 PRO HG3 . 10185 1 57 . 1 1 12 12 PRO CD C 13 50.281 0.300 . 1 . . . . 12 PRO CD . 10185 1 58 . 1 1 12 12 PRO HD2 H 1 3.636 0.030 . 1 . . . . 12 PRO HD2 . 10185 1 59 . 1 1 12 12 PRO HD3 H 1 3.636 0.030 . 1 . . . . 12 PRO HD3 . 10185 1 60 . 1 1 12 12 PRO C C 13 176.312 0.300 . 1 . . . . 12 PRO C . 10185 1 61 . 1 1 13 13 PHE N N 15 118.211 0.300 . 1 . . . . 13 PHE N . 10185 1 62 . 1 1 13 13 PHE H H 1 8.097 0.030 . 1 . . . . 13 PHE H . 10185 1 63 . 1 1 13 13 PHE CA C 13 57.267 0.300 . 1 . . . . 13 PHE CA . 10185 1 64 . 1 1 13 13 PHE HA H 1 4.640 0.030 . 1 . . . . 13 PHE HA . 10185 1 65 . 1 1 13 13 PHE CB C 13 39.302 0.300 . 1 . . . . 13 PHE CB . 10185 1 66 . 1 1 13 13 PHE HB2 H 1 2.908 0.030 . 2 . . . . 13 PHE HB2 . 10185 1 67 . 1 1 13 13 PHE HB3 H 1 3.008 0.030 . 2 . . . . 13 PHE HB3 . 10185 1 68 . 1 1 13 13 PHE CD1 C 13 131.785 0.300 . 1 . . . . 13 PHE CD1 . 10185 1 69 . 1 1 13 13 PHE HD1 H 1 7.127 0.030 . 1 . . . . 13 PHE HD1 . 10185 1 70 . 1 1 13 13 PHE CD2 C 13 131.785 0.300 . 1 . . . . 13 PHE CD2 . 10185 1 71 . 1 1 13 13 PHE HD2 H 1 7.127 0.030 . 1 . . . . 13 PHE HD2 . 10185 1 72 . 1 1 13 13 PHE CE1 C 13 131.582 0.300 . 1 . . . . 13 PHE CE1 . 10185 1 73 . 1 1 13 13 PHE HE1 H 1 7.398 0.030 . 1 . . . . 13 PHE HE1 . 10185 1 74 . 1 1 13 13 PHE CE2 C 13 131.582 0.300 . 1 . . . . 13 PHE CE2 . 10185 1 75 . 1 1 13 13 PHE HE2 H 1 7.398 0.030 . 1 . . . . 13 PHE HE2 . 10185 1 76 . 1 1 13 13 PHE CZ C 13 130.155 0.300 . 1 . . . . 13 PHE CZ . 10185 1 77 . 1 1 13 13 PHE HZ H 1 7.376 0.030 . 1 . . . . 13 PHE HZ . 10185 1 78 . 1 1 13 13 PHE C C 13 174.594 0.300 . 1 . . . . 13 PHE C . 10185 1 79 . 1 1 14 14 GLU N N 15 124.060 0.300 . 1 . . . . 14 GLU N . 10185 1 80 . 1 1 14 14 GLU H H 1 8.568 0.030 . 1 . . . . 14 GLU H . 10185 1 81 . 1 1 14 14 GLU CA C 13 55.291 0.300 . 1 . . . . 14 GLU CA . 10185 1 82 . 1 1 14 14 GLU HA H 1 4.849 0.030 . 1 . . . . 14 GLU HA . 10185 1 83 . 1 1 14 14 GLU CB C 13 32.713 0.300 . 1 . . . . 14 GLU CB . 10185 1 84 . 1 1 14 14 GLU HB2 H 1 1.862 0.030 . 1 . . . . 14 GLU HB2 . 10185 1 85 . 1 1 14 14 GLU HB3 H 1 1.862 0.030 . 1 . . . . 14 GLU HB3 . 10185 1 86 . 1 1 14 14 GLU CG C 13 36.785 0.300 . 1 . . . . 14 GLU CG . 10185 1 87 . 1 1 14 14 GLU HG2 H 1 1.983 0.030 . 1 . . . . 14 GLU HG2 . 10185 1 88 . 1 1 14 14 GLU HG3 H 1 1.983 0.030 . 1 . . . . 14 GLU HG3 . 10185 1 89 . 1 1 14 14 GLU C C 13 175.419 0.300 . 1 . . . . 14 GLU C . 10185 1 90 . 1 1 15 15 CYS N N 15 126.818 0.300 . 1 . . . . 15 CYS N . 10185 1 91 . 1 1 15 15 CYS H H 1 9.101 0.030 . 1 . . . . 15 CYS H . 10185 1 92 . 1 1 15 15 CYS CA C 13 59.631 0.300 . 1 . . . . 15 CYS CA . 10185 1 93 . 1 1 15 15 CYS HA H 1 4.558 0.030 . 1 . . . . 15 CYS HA . 10185 1 94 . 1 1 15 15 CYS CB C 13 29.865 0.300 . 1 . . . . 15 CYS CB . 10185 1 95 . 1 1 15 15 CYS HB2 H 1 3.420 0.030 . 2 . . . . 15 CYS HB2 . 10185 1 96 . 1 1 15 15 CYS HB3 H 1 2.878 0.030 . 2 . . . . 15 CYS HB3 . 10185 1 97 . 1 1 15 15 CYS C C 13 176.885 0.300 . 1 . . . . 15 CYS C . 10185 1 98 . 1 1 16 16 SER N N 15 112.930 0.300 . 1 . . . . 16 SER N . 10185 1 99 . 1 1 16 16 SER H H 1 9.124 0.030 . 1 . . . . 16 SER H . 10185 1 100 . 1 1 16 16 SER CA C 13 60.826 0.300 . 1 . . . . 16 SER CA . 10185 1 101 . 1 1 16 16 SER HA H 1 4.356 0.030 . 1 . . . . 16 SER HA . 10185 1 102 . 1 1 16 16 SER CB C 13 63.144 0.300 . 1 . . . . 16 SER CB . 10185 1 103 . 1 1 16 16 SER HB2 H 1 4.053 0.030 . 2 . . . . 16 SER HB2 . 10185 1 104 . 1 1 16 16 SER HB3 H 1 3.996 0.030 . 2 . . . . 16 SER HB3 . 10185 1 105 . 1 1 16 16 SER C C 13 174.769 0.300 . 1 . . . . 16 SER C . 10185 1 106 . 1 1 17 17 GLU N N 15 123.223 0.300 . 1 . . . . 17 GLU N . 10185 1 107 . 1 1 17 17 GLU H H 1 8.865 0.030 . 1 . . . . 17 GLU H . 10185 1 108 . 1 1 17 17 GLU CA C 13 57.918 0.300 . 1 . . . . 17 GLU CA . 10185 1 109 . 1 1 17 17 GLU HA H 1 4.287 0.030 . 1 . . . . 17 GLU HA . 10185 1 110 . 1 1 17 17 GLU CB C 13 29.917 0.300 . 1 . . . . 17 GLU CB . 10185 1 111 . 1 1 17 17 GLU HB2 H 1 1.335 0.030 . 2 . . . . 17 GLU HB2 . 10185 1 112 . 1 1 17 17 GLU HB3 H 1 1.455 0.030 . 2 . . . . 17 GLU HB3 . 10185 1 113 . 1 1 17 17 GLU CG C 13 35.884 0.300 . 1 . . . . 17 GLU CG . 10185 1 114 . 1 1 17 17 GLU HG2 H 1 1.805 0.030 . 2 . . . . 17 GLU HG2 . 10185 1 115 . 1 1 17 17 GLU HG3 H 1 1.904 0.030 . 2 . . . . 17 GLU HG3 . 10185 1 116 . 1 1 17 17 GLU C C 13 176.999 0.300 . 1 . . . . 17 GLU C . 10185 1 117 . 1 1 18 18 CYS N N 15 116.163 0.300 . 1 . . . . 18 CYS N . 10185 1 118 . 1 1 18 18 CYS H H 1 7.875 0.030 . 1 . . . . 18 CYS H . 10185 1 119 . 1 1 18 18 CYS CA C 13 58.661 0.300 . 1 . . . . 18 CYS CA . 10185 1 120 . 1 1 18 18 CYS HA H 1 5.031 0.030 . 1 . . . . 18 CYS HA . 10185 1 121 . 1 1 18 18 CYS CB C 13 31.745 0.300 . 1 . . . . 18 CYS CB . 10185 1 122 . 1 1 18 18 CYS HB2 H 1 3.372 0.030 . 2 . . . . 18 CYS HB2 . 10185 1 123 . 1 1 18 18 CYS HB3 H 1 2.878 0.030 . 2 . . . . 18 CYS HB3 . 10185 1 124 . 1 1 18 18 CYS C C 13 174.845 0.300 . 1 . . . . 18 CYS C . 10185 1 125 . 1 1 19 19 GLN N N 15 116.345 0.300 . 1 . . . . 19 GLN N . 10185 1 126 . 1 1 19 19 GLN H H 1 8.133 0.030 . 1 . . . . 19 GLN H . 10185 1 127 . 1 1 19 19 GLN CA C 13 58.722 0.300 . 1 . . . . 19 GLN CA . 10185 1 128 . 1 1 19 19 GLN HA H 1 4.117 0.030 . 1 . . . . 19 GLN HA . 10185 1 129 . 1 1 19 19 GLN CB C 13 26.290 0.300 . 1 . . . . 19 GLN CB . 10185 1 130 . 1 1 19 19 GLN HB2 H 1 2.271 0.030 . 2 . . . . 19 GLN HB2 . 10185 1 131 . 1 1 19 19 GLN HB3 H 1 2.387 0.030 . 2 . . . . 19 GLN HB3 . 10185 1 132 . 1 1 19 19 GLN CG C 13 35.339 0.300 . 1 . . . . 19 GLN CG . 10185 1 133 . 1 1 19 19 GLN HG2 H 1 2.249 0.030 . 2 . . . . 19 GLN HG2 . 10185 1 134 . 1 1 19 19 GLN HG3 H 1 2.327 0.030 . 2 . . . . 19 GLN HG3 . 10185 1 135 . 1 1 19 19 GLN NE2 N 15 112.603 0.300 . 1 . . . . 19 GLN NE2 . 10185 1 136 . 1 1 19 19 GLN HE21 H 1 6.486 0.030 . 2 . . . . 19 GLN HE21 . 10185 1 137 . 1 1 19 19 GLN HE22 H 1 7.425 0.030 . 2 . . . . 19 GLN HE22 . 10185 1 138 . 1 1 19 19 GLN C C 13 174.950 0.300 . 1 . . . . 19 GLN C . 10185 1 139 . 1 1 20 20 LYS N N 15 121.633 0.300 . 1 . . . . 20 LYS N . 10185 1 140 . 1 1 20 20 LYS H H 1 7.934 0.030 . 1 . . . . 20 LYS H . 10185 1 141 . 1 1 20 20 LYS CA C 13 57.862 0.300 . 1 . . . . 20 LYS CA . 10185 1 142 . 1 1 20 20 LYS HA H 1 4.083 0.030 . 1 . . . . 20 LYS HA . 10185 1 143 . 1 1 20 20 LYS CB C 13 34.143 0.300 . 1 . . . . 20 LYS CB . 10185 1 144 . 1 1 20 20 LYS HB2 H 1 1.424 0.030 . 2 . . . . 20 LYS HB2 . 10185 1 145 . 1 1 20 20 LYS HB3 H 1 1.269 0.030 . 2 . . . . 20 LYS HB3 . 10185 1 146 . 1 1 20 20 LYS CG C 13 26.340 0.300 . 1 . . . . 20 LYS CG . 10185 1 147 . 1 1 20 20 LYS HG2 H 1 1.175 0.030 . 2 . . . . 20 LYS HG2 . 10185 1 148 . 1 1 20 20 LYS HG3 H 1 1.492 0.030 . 2 . . . . 20 LYS HG3 . 10185 1 149 . 1 1 20 20 LYS CD C 13 29.295 0.300 . 1 . . . . 20 LYS CD . 10185 1 150 . 1 1 20 20 LYS HD2 H 1 1.509 0.030 . 1 . . . . 20 LYS HD2 . 10185 1 151 . 1 1 20 20 LYS HD3 H 1 1.509 0.030 . 1 . . . . 20 LYS HD3 . 10185 1 152 . 1 1 20 20 LYS CE C 13 42.229 0.300 . 1 . . . . 20 LYS CE . 10185 1 153 . 1 1 20 20 LYS HE2 H 1 2.992 0.030 . 1 . . . . 20 LYS HE2 . 10185 1 154 . 1 1 20 20 LYS HE3 H 1 2.992 0.030 . 1 . . . . 20 LYS HE3 . 10185 1 155 . 1 1 20 20 LYS C C 13 173.968 0.300 . 1 . . . . 20 LYS C . 10185 1 156 . 1 1 21 21 ALA N N 15 123.578 0.300 . 1 . . . . 21 ALA N . 10185 1 157 . 1 1 21 21 ALA H H 1 7.807 0.030 . 1 . . . . 21 ALA H . 10185 1 158 . 1 1 21 21 ALA CA C 13 50.538 0.300 . 1 . . . . 21 ALA CA . 10185 1 159 . 1 1 21 21 ALA HA H 1 5.067 0.030 . 1 . . . . 21 ALA HA . 10185 1 160 . 1 1 21 21 ALA CB C 13 22.260 0.300 . 1 . . . . 21 ALA CB . 10185 1 161 . 1 1 21 21 ALA HB1 H 1 1.217 0.030 . 1 . . . . 21 ALA HB . 10185 1 162 . 1 1 21 21 ALA HB2 H 1 1.217 0.030 . 1 . . . . 21 ALA HB . 10185 1 163 . 1 1 21 21 ALA HB3 H 1 1.217 0.030 . 1 . . . . 21 ALA HB . 10185 1 164 . 1 1 21 21 ALA C C 13 176.143 0.300 . 1 . . . . 21 ALA C . 10185 1 165 . 1 1 22 22 PHE N N 15 116.532 0.300 . 1 . . . . 22 PHE N . 10185 1 166 . 1 1 22 22 PHE H H 1 8.637 0.030 . 1 . . . . 22 PHE H . 10185 1 167 . 1 1 22 22 PHE CA C 13 57.465 0.300 . 1 . . . . 22 PHE CA . 10185 1 168 . 1 1 22 22 PHE HA H 1 4.665 0.030 . 1 . . . . 22 PHE HA . 10185 1 169 . 1 1 22 22 PHE CB C 13 43.945 0.300 . 1 . . . . 22 PHE CB . 10185 1 170 . 1 1 22 22 PHE HB2 H 1 2.741 0.030 . 2 . . . . 22 PHE HB2 . 10185 1 171 . 1 1 22 22 PHE HB3 H 1 3.313 0.030 . 2 . . . . 22 PHE HB3 . 10185 1 172 . 1 1 22 22 PHE CD1 C 13 132.041 0.300 . 1 . . . . 22 PHE CD1 . 10185 1 173 . 1 1 22 22 PHE HD1 H 1 7.227 0.030 . 1 . . . . 22 PHE HD1 . 10185 1 174 . 1 1 22 22 PHE CD2 C 13 132.041 0.300 . 1 . . . . 22 PHE CD2 . 10185 1 175 . 1 1 22 22 PHE HD2 H 1 7.227 0.030 . 1 . . . . 22 PHE HD2 . 10185 1 176 . 1 1 22 22 PHE CE1 C 13 130.843 0.300 . 1 . . . . 22 PHE CE1 . 10185 1 177 . 1 1 22 22 PHE HE1 H 1 6.804 0.030 . 1 . . . . 22 PHE HE1 . 10185 1 178 . 1 1 22 22 PHE CE2 C 13 130.843 0.300 . 1 . . . . 22 PHE CE2 . 10185 1 179 . 1 1 22 22 PHE HE2 H 1 6.804 0.030 . 1 . . . . 22 PHE HE2 . 10185 1 180 . 1 1 22 22 PHE CZ C 13 128.923 0.300 . 1 . . . . 22 PHE CZ . 10185 1 181 . 1 1 22 22 PHE HZ H 1 6.160 0.030 . 1 . . . . 22 PHE HZ . 10185 1 182 . 1 1 22 22 PHE C C 13 175.082 0.300 . 1 . . . . 22 PHE C . 10185 1 183 . 1 1 23 23 ASN CA C 13 55.192 0.300 . 1 . . . . 23 ASN CA . 10185 1 184 . 1 1 23 23 ASN HA H 1 4.880 0.030 . 1 . . . . 23 ASN HA . 10185 1 185 . 1 1 23 23 ASN CB C 13 39.136 0.300 . 1 . . . . 23 ASN CB . 10185 1 186 . 1 1 23 23 ASN HB2 H 1 3.090 0.030 . 2 . . . . 23 ASN HB2 . 10185 1 187 . 1 1 23 23 ASN HB3 H 1 2.997 0.030 . 2 . . . . 23 ASN HB3 . 10185 1 188 . 1 1 23 23 ASN ND2 N 15 119.439 0.300 . 1 . . . . 23 ASN ND2 . 10185 1 189 . 1 1 23 23 ASN HD21 H 1 7.734 0.030 . 2 . . . . 23 ASN HD21 . 10185 1 190 . 1 1 23 23 ASN HD22 H 1 7.004 0.030 . 2 . . . . 23 ASN HD22 . 10185 1 191 . 1 1 23 23 ASN C C 13 175.375 0.300 . 1 . . . . 23 ASN C . 10185 1 192 . 1 1 24 24 THR N N 15 120.293 0.300 . 1 . . . . 24 THR N . 10185 1 193 . 1 1 24 24 THR H H 1 7.421 0.030 . 1 . . . . 24 THR H . 10185 1 194 . 1 1 24 24 THR CA C 13 58.831 0.300 . 1 . . . . 24 THR CA . 10185 1 195 . 1 1 24 24 THR HA H 1 4.637 0.030 . 1 . . . . 24 THR HA . 10185 1 196 . 1 1 24 24 THR CB C 13 72.609 0.300 . 1 . . . . 24 THR CB . 10185 1 197 . 1 1 24 24 THR HB H 1 4.385 0.030 . 1 . . . . 24 THR HB . 10185 1 198 . 1 1 24 24 THR CG2 C 13 21.898 0.300 . 1 . . . . 24 THR CG2 . 10185 1 199 . 1 1 24 24 THR HG21 H 1 1.205 0.030 . 1 . . . . 24 THR HG2 . 10185 1 200 . 1 1 24 24 THR HG22 H 1 1.205 0.030 . 1 . . . . 24 THR HG2 . 10185 1 201 . 1 1 24 24 THR HG23 H 1 1.205 0.030 . 1 . . . . 24 THR HG2 . 10185 1 202 . 1 1 24 24 THR C C 13 173.507 0.300 . 1 . . . . 24 THR C . 10185 1 203 . 1 1 25 25 LYS N N 15 124.488 0.300 . 1 . . . . 25 LYS N . 10185 1 204 . 1 1 25 25 LYS H H 1 8.175 0.030 . 1 . . . . 25 LYS H . 10185 1 205 . 1 1 25 25 LYS CA C 13 58.622 0.300 . 1 . . . . 25 LYS CA . 10185 1 206 . 1 1 25 25 LYS HA H 1 3.105 0.030 . 1 . . . . 25 LYS HA . 10185 1 207 . 1 1 25 25 LYS CB C 13 31.613 0.300 . 1 . . . . 25 LYS CB . 10185 1 208 . 1 1 25 25 LYS HB2 H 1 1.494 0.030 . 2 . . . . 25 LYS HB2 . 10185 1 209 . 1 1 25 25 LYS HB3 H 1 1.168 0.030 . 2 . . . . 25 LYS HB3 . 10185 1 210 . 1 1 25 25 LYS CG C 13 24.733 0.300 . 1 . . . . 25 LYS CG . 10185 1 211 . 1 1 25 25 LYS HG2 H 1 1.102 0.030 . 2 . . . . 25 LYS HG2 . 10185 1 212 . 1 1 25 25 LYS HG3 H 1 1.249 0.030 . 2 . . . . 25 LYS HG3 . 10185 1 213 . 1 1 25 25 LYS CD C 13 29.100 0.300 . 1 . . . . 25 LYS CD . 10185 1 214 . 1 1 25 25 LYS HD2 H 1 1.576 0.030 . 2 . . . . 25 LYS HD2 . 10185 1 215 . 1 1 25 25 LYS HD3 H 1 1.636 0.030 . 2 . . . . 25 LYS HD3 . 10185 1 216 . 1 1 25 25 LYS CE C 13 42.258 0.300 . 1 . . . . 25 LYS CE . 10185 1 217 . 1 1 25 25 LYS HE2 H 1 2.934 0.030 . 1 . . . . 25 LYS HE2 . 10185 1 218 . 1 1 25 25 LYS HE3 H 1 2.934 0.030 . 1 . . . . 25 LYS HE3 . 10185 1 219 . 1 1 25 25 LYS C C 13 178.363 0.300 . 1 . . . . 25 LYS C . 10185 1 220 . 1 1 26 26 SER N N 15 112.511 0.300 . 1 . . . . 26 SER N . 10185 1 221 . 1 1 26 26 SER H H 1 8.248 0.030 . 1 . . . . 26 SER H . 10185 1 222 . 1 1 26 26 SER CA C 13 61.540 0.300 . 1 . . . . 26 SER CA . 10185 1 223 . 1 1 26 26 SER HA H 1 3.962 0.030 . 1 . . . . 26 SER HA . 10185 1 224 . 1 1 26 26 SER CB C 13 62.203 0.300 . 1 . . . . 26 SER CB . 10185 1 225 . 1 1 26 26 SER HB2 H 1 3.769 0.030 . 1 . . . . 26 SER HB2 . 10185 1 226 . 1 1 26 26 SER HB3 H 1 3.769 0.030 . 1 . . . . 26 SER HB3 . 10185 1 227 . 1 1 26 26 SER C C 13 176.506 0.300 . 1 . . . . 26 SER C . 10185 1 228 . 1 1 27 27 ASN N N 15 118.519 0.300 . 1 . . . . 27 ASN N . 10185 1 229 . 1 1 27 27 ASN H H 1 7.575 0.030 . 1 . . . . 27 ASN H . 10185 1 230 . 1 1 27 27 ASN CA C 13 55.248 0.300 . 1 . . . . 27 ASN CA . 10185 1 231 . 1 1 27 27 ASN HA H 1 4.432 0.030 . 1 . . . . 27 ASN HA . 10185 1 232 . 1 1 27 27 ASN CB C 13 37.796 0.300 . 1 . . . . 27 ASN CB . 10185 1 233 . 1 1 27 27 ASN HB2 H 1 2.899 0.030 . 2 . . . . 27 ASN HB2 . 10185 1 234 . 1 1 27 27 ASN HB3 H 1 2.801 0.030 . 2 . . . . 27 ASN HB3 . 10185 1 235 . 1 1 27 27 ASN ND2 N 15 112.825 0.300 . 1 . . . . 27 ASN ND2 . 10185 1 236 . 1 1 27 27 ASN HD21 H 1 7.099 0.030 . 2 . . . . 27 ASN HD21 . 10185 1 237 . 1 1 27 27 ASN HD22 H 1 7.918 0.030 . 2 . . . . 27 ASN HD22 . 10185 1 238 . 1 1 27 27 ASN C C 13 177.845 0.300 . 1 . . . . 27 ASN C . 10185 1 239 . 1 1 28 28 LEU N N 15 123.404 0.300 . 1 . . . . 28 LEU N . 10185 1 240 . 1 1 28 28 LEU H H 1 7.347 0.030 . 1 . . . . 28 LEU H . 10185 1 241 . 1 1 28 28 LEU CA C 13 58.281 0.300 . 1 . . . . 28 LEU CA . 10185 1 242 . 1 1 28 28 LEU HA H 1 3.278 0.030 . 1 . . . . 28 LEU HA . 10185 1 243 . 1 1 28 28 LEU CB C 13 40.486 0.300 . 1 . . . . 28 LEU CB . 10185 1 244 . 1 1 28 28 LEU HB2 H 1 2.126 0.030 . 2 . . . . 28 LEU HB2 . 10185 1 245 . 1 1 28 28 LEU HB3 H 1 1.320 0.030 . 2 . . . . 28 LEU HB3 . 10185 1 246 . 1 1 28 28 LEU CG C 13 27.467 0.300 . 1 . . . . 28 LEU CG . 10185 1 247 . 1 1 28 28 LEU HG H 1 1.479 0.030 . 1 . . . . 28 LEU HG . 10185 1 248 . 1 1 28 28 LEU CD1 C 13 26.545 0.300 . 2 . . . . 28 LEU CD1 . 10185 1 249 . 1 1 28 28 LEU HD11 H 1 1.014 0.030 . 1 . . . . 28 LEU HD1 . 10185 1 250 . 1 1 28 28 LEU HD12 H 1 1.014 0.030 . 1 . . . . 28 LEU HD1 . 10185 1 251 . 1 1 28 28 LEU HD13 H 1 1.014 0.030 . 1 . . . . 28 LEU HD1 . 10185 1 252 . 1 1 28 28 LEU CD2 C 13 22.915 0.300 . 2 . . . . 28 LEU CD2 . 10185 1 253 . 1 1 28 28 LEU HD21 H 1 0.993 0.030 . 1 . . . . 28 LEU HD2 . 10185 1 254 . 1 1 28 28 LEU HD22 H 1 0.993 0.030 . 1 . . . . 28 LEU HD2 . 10185 1 255 . 1 1 28 28 LEU HD23 H 1 0.993 0.030 . 1 . . . . 28 LEU HD2 . 10185 1 256 . 1 1 28 28 LEU C C 13 177.276 0.300 . 1 . . . . 28 LEU C . 10185 1 257 . 1 1 29 29 ILE N N 15 120.611 0.300 . 1 . . . . 29 ILE N . 10185 1 258 . 1 1 29 29 ILE H H 1 8.285 0.030 . 1 . . . . 29 ILE H . 10185 1 259 . 1 1 29 29 ILE CA C 13 65.036 0.300 . 1 . . . . 29 ILE CA . 10185 1 260 . 1 1 29 29 ILE HA H 1 3.727 0.030 . 1 . . . . 29 ILE HA . 10185 1 261 . 1 1 29 29 ILE CB C 13 37.616 0.300 . 1 . . . . 29 ILE CB . 10185 1 262 . 1 1 29 29 ILE HB H 1 1.855 0.030 . 1 . . . . 29 ILE HB . 10185 1 263 . 1 1 29 29 ILE CG1 C 13 29.101 0.300 . 1 . . . . 29 ILE CG1 . 10185 1 264 . 1 1 29 29 ILE HG12 H 1 1.170 0.030 . 2 . . . . 29 ILE HG12 . 10185 1 265 . 1 1 29 29 ILE HG13 H 1 1.577 0.030 . 2 . . . . 29 ILE HG13 . 10185 1 266 . 1 1 29 29 ILE CG2 C 13 17.086 0.300 . 1 . . . . 29 ILE CG2 . 10185 1 267 . 1 1 29 29 ILE HG21 H 1 0.856 0.030 . 1 . . . . 29 ILE HG2 . 10185 1 268 . 1 1 29 29 ILE HG22 H 1 0.856 0.030 . 1 . . . . 29 ILE HG2 . 10185 1 269 . 1 1 29 29 ILE HG23 H 1 0.856 0.030 . 1 . . . . 29 ILE HG2 . 10185 1 270 . 1 1 29 29 ILE CD1 C 13 13.051 0.300 . 1 . . . . 29 ILE CD1 . 10185 1 271 . 1 1 29 29 ILE HD11 H 1 0.761 0.030 . 1 . . . . 29 ILE HD1 . 10185 1 272 . 1 1 29 29 ILE HD12 H 1 0.761 0.030 . 1 . . . . 29 ILE HD1 . 10185 1 273 . 1 1 29 29 ILE HD13 H 1 0.761 0.030 . 1 . . . . 29 ILE HD1 . 10185 1 274 . 1 1 29 29 ILE C C 13 179.149 0.300 . 1 . . . . 29 ILE C . 10185 1 275 . 1 1 30 30 VAL N N 15 119.090 0.300 . 1 . . . . 30 VAL N . 10185 1 276 . 1 1 30 30 VAL H H 1 7.578 0.030 . 1 . . . . 30 VAL H . 10185 1 277 . 1 1 30 30 VAL CA C 13 66.753 0.300 . 1 . . . . 30 VAL CA . 10185 1 278 . 1 1 30 30 VAL HA H 1 3.469 0.030 . 1 . . . . 30 VAL HA . 10185 1 279 . 1 1 30 30 VAL CB C 13 31.959 0.300 . 1 . . . . 30 VAL CB . 10185 1 280 . 1 1 30 30 VAL HB H 1 1.946 0.030 . 1 . . . . 30 VAL HB . 10185 1 281 . 1 1 30 30 VAL CG1 C 13 22.666 0.300 . 2 . . . . 30 VAL CG1 . 10185 1 282 . 1 1 30 30 VAL HG11 H 1 1.031 0.030 . 1 . . . . 30 VAL HG1 . 10185 1 283 . 1 1 30 30 VAL HG12 H 1 1.031 0.030 . 1 . . . . 30 VAL HG1 . 10185 1 284 . 1 1 30 30 VAL HG13 H 1 1.031 0.030 . 1 . . . . 30 VAL HG1 . 10185 1 285 . 1 1 30 30 VAL CG2 C 13 21.115 0.300 . 2 . . . . 30 VAL CG2 . 10185 1 286 . 1 1 30 30 VAL HG21 H 1 0.893 0.030 . 1 . . . . 30 VAL HG2 . 10185 1 287 . 1 1 30 30 VAL HG22 H 1 0.893 0.030 . 1 . . . . 30 VAL HG2 . 10185 1 288 . 1 1 30 30 VAL HG23 H 1 0.893 0.030 . 1 . . . . 30 VAL HG2 . 10185 1 289 . 1 1 30 30 VAL C C 13 179.079 0.300 . 1 . . . . 30 VAL C . 10185 1 290 . 1 1 31 31 HIS N N 15 119.088 0.300 . 1 . . . . 31 HIS N . 10185 1 291 . 1 1 31 31 HIS H H 1 7.441 0.030 . 1 . . . . 31 HIS H . 10185 1 292 . 1 1 31 31 HIS CA C 13 59.210 0.300 . 1 . . . . 31 HIS CA . 10185 1 293 . 1 1 31 31 HIS HA H 1 4.197 0.030 . 1 . . . . 31 HIS HA . 10185 1 294 . 1 1 31 31 HIS CB C 13 28.110 0.300 . 1 . . . . 31 HIS CB . 10185 1 295 . 1 1 31 31 HIS HB2 H 1 2.964 0.030 . 2 . . . . 31 HIS HB2 . 10185 1 296 . 1 1 31 31 HIS HB3 H 1 2.708 0.030 . 2 . . . . 31 HIS HB3 . 10185 1 297 . 1 1 31 31 HIS CD2 C 13 127.394 0.300 . 1 . . . . 31 HIS CD2 . 10185 1 298 . 1 1 31 31 HIS HD2 H 1 6.827 0.030 . 1 . . . . 31 HIS HD2 . 10185 1 299 . 1 1 31 31 HIS CE1 C 13 139.442 0.300 . 1 . . . . 31 HIS CE1 . 10185 1 300 . 1 1 31 31 HIS HE1 H 1 7.961 0.030 . 1 . . . . 31 HIS HE1 . 10185 1 301 . 1 1 31 31 HIS C C 13 178.149 0.300 . 1 . . . . 31 HIS C . 10185 1 302 . 1 1 32 32 GLN N N 15 120.672 0.300 . 1 . . . . 32 GLN N . 10185 1 303 . 1 1 32 32 GLN H H 1 8.973 0.030 . 1 . . . . 32 GLN H . 10185 1 304 . 1 1 32 32 GLN CA C 13 59.954 0.300 . 1 . . . . 32 GLN CA . 10185 1 305 . 1 1 32 32 GLN HA H 1 3.620 0.030 . 1 . . . . 32 GLN HA . 10185 1 306 . 1 1 32 32 GLN CB C 13 28.132 0.300 . 1 . . . . 32 GLN CB . 10185 1 307 . 1 1 32 32 GLN HB2 H 1 2.158 0.030 . 2 . . . . 32 GLN HB2 . 10185 1 308 . 1 1 32 32 GLN HB3 H 1 2.349 0.030 . 2 . . . . 32 GLN HB3 . 10185 1 309 . 1 1 32 32 GLN CG C 13 35.762 0.300 . 1 . . . . 32 GLN CG . 10185 1 310 . 1 1 32 32 GLN HG2 H 1 2.831 0.030 . 2 . . . . 32 GLN HG2 . 10185 1 311 . 1 1 32 32 GLN HG3 H 1 2.748 0.030 . 2 . . . . 32 GLN HG3 . 10185 1 312 . 1 1 32 32 GLN NE2 N 15 111.786 0.300 . 1 . . . . 32 GLN NE2 . 10185 1 313 . 1 1 32 32 GLN HE21 H 1 6.894 0.030 . 2 . . . . 32 GLN HE21 . 10185 1 314 . 1 1 32 32 GLN HE22 H 1 7.691 0.030 . 2 . . . . 32 GLN HE22 . 10185 1 315 . 1 1 32 32 GLN C C 13 177.938 0.300 . 1 . . . . 32 GLN C . 10185 1 316 . 1 1 33 33 ARG N N 15 117.768 0.300 . 1 . . . . 33 ARG N . 10185 1 317 . 1 1 33 33 ARG H H 1 7.323 0.030 . 1 . . . . 33 ARG H . 10185 1 318 . 1 1 33 33 ARG CA C 13 58.576 0.300 . 1 . . . . 33 ARG CA . 10185 1 319 . 1 1 33 33 ARG HA H 1 4.171 0.030 . 1 . . . . 33 ARG HA . 10185 1 320 . 1 1 33 33 ARG CB C 13 30.016 0.300 . 1 . . . . 33 ARG CB . 10185 1 321 . 1 1 33 33 ARG HB2 H 1 1.836 0.030 . 2 . . . . 33 ARG HB2 . 10185 1 322 . 1 1 33 33 ARG HB3 H 1 1.932 0.030 . 2 . . . . 33 ARG HB3 . 10185 1 323 . 1 1 33 33 ARG CG C 13 27.793 0.300 . 1 . . . . 33 ARG CG . 10185 1 324 . 1 1 33 33 ARG HG2 H 1 1.674 0.030 . 2 . . . . 33 ARG HG2 . 10185 1 325 . 1 1 33 33 ARG HG3 H 1 1.896 0.030 . 2 . . . . 33 ARG HG3 . 10185 1 326 . 1 1 33 33 ARG CD C 13 43.799 0.300 . 1 . . . . 33 ARG CD . 10185 1 327 . 1 1 33 33 ARG HD2 H 1 3.166 0.030 . 1 . . . . 33 ARG HD2 . 10185 1 328 . 1 1 33 33 ARG HD3 H 1 3.166 0.030 . 1 . . . . 33 ARG HD3 . 10185 1 329 . 1 1 33 33 ARG C C 13 178.202 0.300 . 1 . . . . 33 ARG C . 10185 1 330 . 1 1 34 34 THR N N 15 109.590 0.300 . 1 . . . . 34 THR N . 10185 1 331 . 1 1 34 34 THR H H 1 7.812 0.030 . 1 . . . . 34 THR H . 10185 1 332 . 1 1 34 34 THR CA C 13 63.867 0.300 . 1 . . . . 34 THR CA . 10185 1 333 . 1 1 34 34 THR HA H 1 4.113 0.030 . 1 . . . . 34 THR HA . 10185 1 334 . 1 1 34 34 THR CB C 13 69.435 0.300 . 1 . . . . 34 THR CB . 10185 1 335 . 1 1 34 34 THR HB H 1 4.012 0.030 . 1 . . . . 34 THR HB . 10185 1 336 . 1 1 34 34 THR CG2 C 13 20.915 0.300 . 1 . . . . 34 THR CG2 . 10185 1 337 . 1 1 34 34 THR HG21 H 1 1.149 0.030 . 1 . . . . 34 THR HG2 . 10185 1 338 . 1 1 34 34 THR HG22 H 1 1.149 0.030 . 1 . . . . 34 THR HG2 . 10185 1 339 . 1 1 34 34 THR HG23 H 1 1.149 0.030 . 1 . . . . 34 THR HG2 . 10185 1 340 . 1 1 34 34 THR C C 13 175.584 0.300 . 1 . . . . 34 THR C . 10185 1 341 . 1 1 35 35 HIS N N 15 118.698 0.300 . 1 . . . . 35 HIS N . 10185 1 342 . 1 1 35 35 HIS H H 1 7.187 0.030 . 1 . . . . 35 HIS H . 10185 1 343 . 1 1 35 35 HIS CA C 13 55.498 0.300 . 1 . . . . 35 HIS CA . 10185 1 344 . 1 1 35 35 HIS HA H 1 4.864 0.030 . 1 . . . . 35 HIS HA . 10185 1 345 . 1 1 35 35 HIS CB C 13 28.676 0.300 . 1 . . . . 35 HIS CB . 10185 1 346 . 1 1 35 35 HIS HB2 H 1 3.180 0.030 . 2 . . . . 35 HIS HB2 . 10185 1 347 . 1 1 35 35 HIS HB3 H 1 3.312 0.030 . 2 . . . . 35 HIS HB3 . 10185 1 348 . 1 1 35 35 HIS CD2 C 13 126.962 0.300 . 1 . . . . 35 HIS CD2 . 10185 1 349 . 1 1 35 35 HIS HD2 H 1 6.627 0.030 . 1 . . . . 35 HIS HD2 . 10185 1 350 . 1 1 35 35 HIS CE1 C 13 139.871 0.300 . 1 . . . . 35 HIS CE1 . 10185 1 351 . 1 1 35 35 HIS HE1 H 1 7.987 0.030 . 1 . . . . 35 HIS HE1 . 10185 1 352 . 1 1 35 35 HIS C C 13 175.584 0.300 . 1 . . . . 35 HIS C . 10185 1 353 . 1 1 36 36 THR N N 15 112.399 0.300 . 1 . . . . 36 THR N . 10185 1 354 . 1 1 36 36 THR H H 1 7.811 0.030 . 1 . . . . 36 THR H . 10185 1 355 . 1 1 36 36 THR CA C 13 62.362 0.300 . 1 . . . . 36 THR CA . 10185 1 356 . 1 1 36 36 THR HA H 1 4.358 0.030 . 1 . . . . 36 THR HA . 10185 1 357 . 1 1 36 36 THR CB C 13 69.845 0.300 . 1 . . . . 36 THR CB . 10185 1 358 . 1 1 36 36 THR HB H 1 4.313 0.030 . 1 . . . . 36 THR HB . 10185 1 359 . 1 1 36 36 THR CG2 C 13 21.572 0.300 . 1 . . . . 36 THR CG2 . 10185 1 360 . 1 1 36 36 THR HG21 H 1 1.223 0.030 . 1 . . . . 36 THR HG2 . 10185 1 361 . 1 1 36 36 THR HG22 H 1 1.223 0.030 . 1 . . . . 36 THR HG2 . 10185 1 362 . 1 1 36 36 THR HG23 H 1 1.223 0.030 . 1 . . . . 36 THR HG2 . 10185 1 363 . 1 1 36 36 THR C C 13 175.377 0.300 . 1 . . . . 36 THR C . 10185 1 364 . 1 1 37 37 GLY N N 15 111.020 0.300 . 1 . . . . 37 GLY N . 10185 1 365 . 1 1 37 37 GLY H H 1 8.446 0.030 . 1 . . . . 37 GLY H . 10185 1 366 . 1 1 37 37 GLY CA C 13 45.083 0.300 . 1 . . . . 37 GLY CA . 10185 1 367 . 1 1 37 37 GLY HA2 H 1 3.985 0.030 . 1 . . . . 37 GLY HA2 . 10185 1 368 . 1 1 37 37 GLY HA3 H 1 3.985 0.030 . 1 . . . . 37 GLY HA3 . 10185 1 369 . 1 1 37 37 GLY C C 13 174.005 0.300 . 1 . . . . 37 GLY C . 10185 1 370 . 1 1 38 38 GLU N N 15 120.659 0.300 . 1 . . . . 38 GLU N . 10185 1 371 . 1 1 38 38 GLU H H 1 8.132 0.030 . 1 . . . . 38 GLU H . 10185 1 372 . 1 1 38 38 GLU CA C 13 56.441 0.300 . 1 . . . . 38 GLU CA . 10185 1 373 . 1 1 38 38 GLU HA H 1 4.240 0.030 . 1 . . . . 38 GLU HA . 10185 1 374 . 1 1 38 38 GLU CB C 13 30.497 0.300 . 1 . . . . 38 GLU CB . 10185 1 375 . 1 1 38 38 GLU HB2 H 1 1.987 0.030 . 2 . . . . 38 GLU HB2 . 10185 1 376 . 1 1 38 38 GLU HB3 H 1 1.905 0.030 . 2 . . . . 38 GLU HB3 . 10185 1 377 . 1 1 38 38 GLU CG C 13 36.273 0.300 . 1 . . . . 38 GLU CG . 10185 1 378 . 1 1 38 38 GLU HG2 H 1 2.248 0.030 . 2 . . . . 38 GLU HG2 . 10185 1 379 . 1 1 38 38 GLU HG3 H 1 2.204 0.030 . 2 . . . . 38 GLU HG3 . 10185 1 380 . 1 1 38 38 GLU C C 13 176.239 0.300 . 1 . . . . 38 GLU C . 10185 1 381 . 1 1 39 39 LYS N N 15 123.933 0.300 . 1 . . . . 39 LYS N . 10185 1 382 . 1 1 39 39 LYS H H 1 8.428 0.030 . 1 . . . . 39 LYS H . 10185 1 383 . 1 1 39 39 LYS CA C 13 54.087 0.300 . 1 . . . . 39 LYS CA . 10185 1 384 . 1 1 39 39 LYS HA H 1 4.601 0.030 . 1 . . . . 39 LYS HA . 10185 1 385 . 1 1 39 39 LYS CB C 13 32.513 0.300 . 1 . . . . 39 LYS CB . 10185 1 386 . 1 1 39 39 LYS HB2 H 1 1.812 0.030 . 2 . . . . 39 LYS HB2 . 10185 1 387 . 1 1 39 39 LYS HB3 H 1 1.725 0.030 . 2 . . . . 39 LYS HB3 . 10185 1 388 . 1 1 39 39 LYS CG C 13 24.496 0.300 . 1 . . . . 39 LYS CG . 10185 1 389 . 1 1 39 39 LYS HG2 H 1 1.458 0.030 . 1 . . . . 39 LYS HG2 . 10185 1 390 . 1 1 39 39 LYS HG3 H 1 1.458 0.030 . 1 . . . . 39 LYS HG3 . 10185 1 391 . 1 1 39 39 LYS CD C 13 29.127 0.300 . 1 . . . . 39 LYS CD . 10185 1 392 . 1 1 39 39 LYS HD2 H 1 1.671 0.030 . 1 . . . . 39 LYS HD2 . 10185 1 393 . 1 1 39 39 LYS HD3 H 1 1.671 0.030 . 1 . . . . 39 LYS HD3 . 10185 1 394 . 1 1 39 39 LYS CE C 13 42.224 0.300 . 1 . . . . 39 LYS CE . 10185 1 395 . 1 1 39 39 LYS HE2 H 1 2.987 0.030 . 1 . . . . 39 LYS HE2 . 10185 1 396 . 1 1 39 39 LYS HE3 H 1 2.987 0.030 . 1 . . . . 39 LYS HE3 . 10185 1 397 . 1 1 39 39 LYS C C 13 174.467 0.300 . 1 . . . . 39 LYS C . 10185 1 398 . 1 1 40 40 PRO CA C 13 63.220 0.300 . 1 . . . . 40 PRO CA . 10185 1 399 . 1 1 40 40 PRO HA H 1 4.446 0.030 . 1 . . . . 40 PRO HA . 10185 1 400 . 1 1 40 40 PRO CB C 13 32.146 0.300 . 1 . . . . 40 PRO CB . 10185 1 401 . 1 1 40 40 PRO HB2 H 1 2.316 0.030 . 2 . . . . 40 PRO HB2 . 10185 1 402 . 1 1 40 40 PRO HB3 H 1 1.935 0.030 . 2 . . . . 40 PRO HB3 . 10185 1 403 . 1 1 40 40 PRO CG C 13 27.377 0.300 . 1 . . . . 40 PRO CG . 10185 1 404 . 1 1 40 40 PRO HG2 H 1 2.011 0.030 . 1 . . . . 40 PRO HG2 . 10185 1 405 . 1 1 40 40 PRO HG3 H 1 2.011 0.030 . 1 . . . . 40 PRO HG3 . 10185 1 406 . 1 1 40 40 PRO CD C 13 50.697 0.300 . 1 . . . . 40 PRO CD . 10185 1 407 . 1 1 40 40 PRO HD2 H 1 3.634 0.030 . 2 . . . . 40 PRO HD2 . 10185 1 408 . 1 1 40 40 PRO HD3 H 1 3.807 0.030 . 2 . . . . 40 PRO HD3 . 10185 1 409 . 1 1 40 40 PRO C C 13 176.972 0.300 . 1 . . . . 40 PRO C . 10185 1 410 . 1 1 41 41 SER N N 15 116.493 0.300 . 1 . . . . 41 SER N . 10185 1 411 . 1 1 41 41 SER H H 1 8.462 0.030 . 1 . . . . 41 SER H . 10185 1 412 . 1 1 41 41 SER CA C 13 58.320 0.300 . 1 . . . . 41 SER CA . 10185 1 413 . 1 1 41 41 SER HA H 1 4.470 0.030 . 1 . . . . 41 SER HA . 10185 1 414 . 1 1 41 41 SER CB C 13 64.163 0.300 . 1 . . . . 41 SER CB . 10185 1 415 . 1 1 41 41 SER HB2 H 1 3.907 0.030 . 1 . . . . 41 SER HB2 . 10185 1 416 . 1 1 41 41 SER HB3 H 1 3.907 0.030 . 1 . . . . 41 SER HB3 . 10185 1 417 . 1 1 41 41 SER C C 13 174.635 0.300 . 1 . . . . 41 SER C . 10185 1 418 . 1 1 42 42 GLY CA C 13 44.675 0.300 . 1 . . . . 42 GLY CA . 10185 1 419 . 1 1 42 42 GLY HA2 H 1 4.151 0.030 . 2 . . . . 42 GLY HA2 . 10185 1 420 . 1 1 42 42 GLY HA3 H 1 4.095 0.030 . 2 . . . . 42 GLY HA3 . 10185 1 421 . 1 1 43 43 PRO CA C 13 63.213 0.300 . 1 . . . . 43 PRO CA . 10185 1 422 . 1 1 43 43 PRO HA H 1 4.476 0.030 . 1 . . . . 43 PRO HA . 10185 1 423 . 1 1 43 43 PRO CB C 13 32.217 0.300 . 1 . . . . 43 PRO CB . 10185 1 424 . 1 1 43 43 PRO HB2 H 1 2.280 0.030 . 2 . . . . 43 PRO HB2 . 10185 1 425 . 1 1 43 43 PRO HB3 H 1 1.993 0.030 . 2 . . . . 43 PRO HB3 . 10185 1 426 . 1 1 43 43 PRO CG C 13 27.178 0.300 . 1 . . . . 43 PRO CG . 10185 1 427 . 1 1 43 43 PRO HG2 H 1 2.010 0.030 . 1 . . . . 43 PRO HG2 . 10185 1 428 . 1 1 43 43 PRO HG3 H 1 2.010 0.030 . 1 . . . . 43 PRO HG3 . 10185 1 429 . 1 1 43 43 PRO CD C 13 49.789 0.300 . 1 . . . . 43 PRO CD . 10185 1 430 . 1 1 43 43 PRO HD2 H 1 3.619 0.030 . 1 . . . . 43 PRO HD2 . 10185 1 431 . 1 1 43 43 PRO HD3 H 1 3.619 0.030 . 1 . . . . 43 PRO HD3 . 10185 1 432 . 1 1 45 45 SER CA C 13 58.359 0.300 . 1 . . . . 45 SER CA . 10185 1 433 . 1 1 45 45 SER HA H 1 4.496 0.030 . 1 . . . . 45 SER HA . 10185 1 434 . 1 1 45 45 SER CB C 13 64.036 0.300 . 1 . . . . 45 SER CB . 10185 1 435 . 1 1 45 45 SER HB2 H 1 3.894 0.030 . 1 . . . . 45 SER HB2 . 10185 1 436 . 1 1 45 45 SER HB3 H 1 3.894 0.030 . 1 . . . . 45 SER HB3 . 10185 1 437 . 1 1 45 45 SER C C 13 173.895 0.300 . 1 . . . . 45 SER C . 10185 1 438 . 1 1 46 46 GLY N N 15 116.863 0.300 . 1 . . . . 46 GLY N . 10185 1 439 . 1 1 46 46 GLY H H 1 8.039 0.030 . 1 . . . . 46 GLY H . 10185 1 440 . 1 1 46 46 GLY CA C 13 46.234 0.300 . 1 . . . . 46 GLY CA . 10185 1 441 . 1 1 46 46 GLY HA2 H 1 3.745 0.030 . 2 . . . . 46 GLY HA2 . 10185 1 442 . 1 1 46 46 GLY HA3 H 1 3.781 0.030 . 2 . . . . 46 GLY HA3 . 10185 1 443 . 1 1 46 46 GLY C C 13 178.966 0.300 . 1 . . . . 46 GLY C . 10185 1 stop_ save_