################################### # 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 10204 _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 10204 1 2 '3D 15N-separated NOESY' 1 $sample_1 isotropic 10204 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 45.446 0.300 . 1 . . . . 7 GLY CA . 10204 1 2 . 1 1 7 7 GLY HA2 H 1 4.044 0.030 . 2 . . . . 7 GLY HA2 . 10204 1 3 . 1 1 7 7 GLY C C 13 174.517 0.300 . 1 . . . . 7 GLY C . 10204 1 4 . 1 1 8 8 THR N N 15 112.820 0.300 . 1 . . . . 8 THR N . 10204 1 5 . 1 1 8 8 THR H H 1 8.156 0.030 . 1 . . . . 8 THR H . 10204 1 6 . 1 1 8 8 THR CA C 13 61.841 0.300 . 1 . . . . 8 THR CA . 10204 1 7 . 1 1 8 8 THR HA H 1 4.387 0.030 . 1 . . . . 8 THR HA . 10204 1 8 . 1 1 8 8 THR CB C 13 69.860 0.300 . 1 . . . . 8 THR CB . 10204 1 9 . 1 1 8 8 THR HB H 1 4.310 0.030 . 1 . . . . 8 THR HB . 10204 1 10 . 1 1 8 8 THR CG2 C 13 21.535 0.300 . 1 . . . . 8 THR CG2 . 10204 1 11 . 1 1 8 8 THR HG21 H 1 1.200 0.030 . 1 . . . . 8 THR HG2 . 10204 1 12 . 1 1 8 8 THR HG22 H 1 1.200 0.030 . 1 . . . . 8 THR HG2 . 10204 1 13 . 1 1 8 8 THR HG23 H 1 1.200 0.030 . 1 . . . . 8 THR HG2 . 10204 1 14 . 1 1 8 8 THR C C 13 175.270 0.300 . 1 . . . . 8 THR C . 10204 1 15 . 1 1 9 9 GLY N N 15 110.629 0.300 . 1 . . . . 9 GLY N . 10204 1 16 . 1 1 9 9 GLY H H 1 8.224 0.030 . 1 . . . . 9 GLY H . 10204 1 17 . 1 1 9 9 GLY CA C 13 45.301 0.300 . 1 . . . . 9 GLY CA . 10204 1 18 . 1 1 9 9 GLY HA2 H 1 3.936 0.030 . 2 . . . . 9 GLY HA2 . 10204 1 19 . 1 1 9 9 GLY HA3 H 1 3.974 0.030 . 2 . . . . 9 GLY HA3 . 10204 1 20 . 1 1 10 10 GLU N N 15 120.185 0.300 . 1 . . . . 10 GLU N . 10204 1 21 . 1 1 10 10 GLU H H 1 8.244 0.030 . 1 . . . . 10 GLU H . 10204 1 22 . 1 1 10 10 GLU CA C 13 56.913 0.300 . 1 . . . . 10 GLU CA . 10204 1 23 . 1 1 10 10 GLU HA H 1 4.206 0.030 . 1 . . . . 10 GLU HA . 10204 1 24 . 1 1 10 10 GLU CB C 13 30.432 0.300 . 1 . . . . 10 GLU CB . 10204 1 25 . 1 1 10 10 GLU HB2 H 1 2.013 0.030 . 2 . . . . 10 GLU HB2 . 10204 1 26 . 1 1 10 10 GLU HB3 H 1 1.910 0.030 . 2 . . . . 10 GLU HB3 . 10204 1 27 . 1 1 10 10 GLU CG C 13 36.317 0.300 . 1 . . . . 10 GLU CG . 10204 1 28 . 1 1 10 10 GLU HG2 H 1 2.218 0.030 . 2 . . . . 10 GLU HG2 . 10204 1 29 . 1 1 10 10 GLU HG3 H 1 2.268 0.030 . 2 . . . . 10 GLU HG3 . 10204 1 30 . 1 1 11 11 LYS N N 15 121.853 0.300 . 1 . . . . 11 LYS N . 10204 1 31 . 1 1 11 11 LYS H H 1 8.314 0.030 . 1 . . . . 11 LYS H . 10204 1 32 . 1 1 11 11 LYS CA C 13 53.894 0.300 . 1 . . . . 11 LYS CA . 10204 1 33 . 1 1 11 11 LYS HA H 1 4.547 0.030 . 1 . . . . 11 LYS HA . 10204 1 34 . 1 1 11 11 LYS CB C 13 32.861 0.300 . 1 . . . . 11 LYS CB . 10204 1 35 . 1 1 11 11 LYS HB2 H 1 1.610 0.030 . 2 . . . . 11 LYS HB2 . 10204 1 36 . 1 1 11 11 LYS HB3 H 1 1.498 0.030 . 2 . . . . 11 LYS HB3 . 10204 1 37 . 1 1 11 11 LYS CG C 13 24.690 0.300 . 1 . . . . 11 LYS CG . 10204 1 38 . 1 1 11 11 LYS HG2 H 1 1.332 0.030 . 2 . . . . 11 LYS HG2 . 10204 1 39 . 1 1 11 11 LYS HG3 H 1 1.236 0.030 . 2 . . . . 11 LYS HG3 . 10204 1 40 . 1 1 11 11 LYS CD C 13 29.363 0.300 . 1 . . . . 11 LYS CD . 10204 1 41 . 1 1 11 11 LYS HD2 H 1 1.571 0.030 . 2 . . . . 11 LYS HD2 . 10204 1 42 . 1 1 11 11 LYS HD3 H 1 1.499 0.030 . 2 . . . . 11 LYS HD3 . 10204 1 43 . 1 1 11 11 LYS CE C 13 42.241 0.300 . 1 . . . . 11 LYS CE . 10204 1 44 . 1 1 11 11 LYS HE2 H 1 2.922 0.030 . 2 . . . . 11 LYS HE2 . 10204 1 45 . 1 1 11 11 LYS C C 13 174.542 0.300 . 1 . . . . 11 LYS C . 10204 1 46 . 1 1 12 12 PRO CA C 13 63.480 0.300 . 1 . . . . 12 PRO CA . 10204 1 47 . 1 1 12 12 PRO HA H 1 4.305 0.030 . 1 . . . . 12 PRO HA . 10204 1 48 . 1 1 12 12 PRO CB C 13 32.288 0.300 . 1 . . . . 12 PRO CB . 10204 1 49 . 1 1 12 12 PRO HB2 H 1 2.013 0.030 . 2 . . . . 12 PRO HB2 . 10204 1 50 . 1 1 12 12 PRO HB3 H 1 1.378 0.030 . 2 . . . . 12 PRO HB3 . 10204 1 51 . 1 1 12 12 PRO CG C 13 26.768 0.300 . 1 . . . . 12 PRO CG . 10204 1 52 . 1 1 12 12 PRO HG2 H 1 1.672 0.030 . 2 . . . . 12 PRO HG2 . 10204 1 53 . 1 1 12 12 PRO HG3 H 1 1.835 0.030 . 2 . . . . 12 PRO HG3 . 10204 1 54 . 1 1 12 12 PRO CD C 13 50.355 0.300 . 1 . . . . 12 PRO CD . 10204 1 55 . 1 1 12 12 PRO HD2 H 1 3.684 0.030 . 2 . . . . 12 PRO HD2 . 10204 1 56 . 1 1 12 12 PRO HD3 H 1 3.635 0.030 . 2 . . . . 12 PRO HD3 . 10204 1 57 . 1 1 12 12 PRO C C 13 176.266 0.300 . 1 . . . . 12 PRO C . 10204 1 58 . 1 1 13 13 PHE N N 15 118.209 0.300 . 1 . . . . 13 PHE N . 10204 1 59 . 1 1 13 13 PHE H H 1 8.027 0.030 . 1 . . . . 13 PHE H . 10204 1 60 . 1 1 13 13 PHE CA C 13 57.480 0.300 . 1 . . . . 13 PHE CA . 10204 1 61 . 1 1 13 13 PHE HA H 1 4.646 0.030 . 1 . . . . 13 PHE HA . 10204 1 62 . 1 1 13 13 PHE CB C 13 39.143 0.300 . 1 . . . . 13 PHE CB . 10204 1 63 . 1 1 13 13 PHE HB2 H 1 2.964 0.030 . 2 . . . . 13 PHE HB2 . 10204 1 64 . 1 1 13 13 PHE HB3 H 1 3.050 0.030 . 2 . . . . 13 PHE HB3 . 10204 1 65 . 1 1 13 13 PHE CD1 C 13 131.713 0.300 . 1 . . . . 13 PHE CD1 . 10204 1 66 . 1 1 13 13 PHE HD1 H 1 7.159 0.030 . 1 . . . . 13 PHE HD1 . 10204 1 67 . 1 1 13 13 PHE CD2 C 13 131.713 0.300 . 1 . . . . 13 PHE CD2 . 10204 1 68 . 1 1 13 13 PHE HD2 H 1 7.159 0.030 . 1 . . . . 13 PHE HD2 . 10204 1 69 . 1 1 13 13 PHE CE1 C 13 131.675 0.300 . 1 . . . . 13 PHE CE1 . 10204 1 70 . 1 1 13 13 PHE HE1 H 1 7.457 0.030 . 1 . . . . 13 PHE HE1 . 10204 1 71 . 1 1 13 13 PHE CE2 C 13 131.675 0.300 . 1 . . . . 13 PHE CE2 . 10204 1 72 . 1 1 13 13 PHE HE2 H 1 7.457 0.030 . 1 . . . . 13 PHE HE2 . 10204 1 73 . 1 1 13 13 PHE CZ C 13 130.167 0.300 . 1 . . . . 13 PHE CZ . 10204 1 74 . 1 1 13 13 PHE HZ H 1 7.422 0.030 . 1 . . . . 13 PHE HZ . 10204 1 75 . 1 1 13 13 PHE C C 13 174.299 0.300 . 1 . . . . 13 PHE C . 10204 1 76 . 1 1 14 14 GLU N N 15 124.594 0.300 . 1 . . . . 14 GLU N . 10204 1 77 . 1 1 14 14 GLU H H 1 8.557 0.030 . 1 . . . . 14 GLU H . 10204 1 78 . 1 1 14 14 GLU CA C 13 55.040 0.300 . 1 . . . . 14 GLU CA . 10204 1 79 . 1 1 14 14 GLU HA H 1 4.808 0.030 . 1 . . . . 14 GLU HA . 10204 1 80 . 1 1 14 14 GLU CB C 13 32.995 0.300 . 1 . . . . 14 GLU CB . 10204 1 81 . 1 1 14 14 GLU HB2 H 1 1.842 0.030 . 1 . . . . 14 GLU HB2 . 10204 1 82 . 1 1 14 14 GLU HB3 H 1 1.842 0.030 . 1 . . . . 14 GLU HB3 . 10204 1 83 . 1 1 14 14 GLU CG C 13 36.453 0.300 . 1 . . . . 14 GLU CG . 10204 1 84 . 1 1 14 14 GLU HG2 H 1 1.912 0.030 . 2 . . . . 14 GLU HG2 . 10204 1 85 . 1 1 14 14 GLU HG3 H 1 1.990 0.030 . 2 . . . . 14 GLU HG3 . 10204 1 86 . 1 1 14 14 GLU C C 13 175.064 0.300 . 1 . . . . 14 GLU C . 10204 1 87 . 1 1 15 15 CYS N N 15 127.042 0.300 . 1 . . . . 15 CYS N . 10204 1 88 . 1 1 15 15 CYS H H 1 9.223 0.030 . 1 . . . . 15 CYS H . 10204 1 89 . 1 1 15 15 CYS CA C 13 59.448 0.300 . 1 . . . . 15 CYS CA . 10204 1 90 . 1 1 15 15 CYS HA H 1 4.559 0.030 . 1 . . . . 15 CYS HA . 10204 1 91 . 1 1 15 15 CYS CB C 13 29.596 0.300 . 1 . . . . 15 CYS CB . 10204 1 92 . 1 1 15 15 CYS HB2 H 1 3.417 0.030 . 2 . . . . 15 CYS HB2 . 10204 1 93 . 1 1 15 15 CYS HB3 H 1 2.855 0.030 . 2 . . . . 15 CYS HB3 . 10204 1 94 . 1 1 15 15 CYS C C 13 176.934 0.300 . 1 . . . . 15 CYS C . 10204 1 95 . 1 1 16 16 ALA N N 15 121.197 0.300 . 1 . . . . 16 ALA N . 10204 1 96 . 1 1 16 16 ALA H H 1 9.386 0.030 . 1 . . . . 16 ALA H . 10204 1 97 . 1 1 16 16 ALA CA C 13 54.526 0.300 . 1 . . . . 16 ALA CA . 10204 1 98 . 1 1 16 16 ALA HA H 1 4.243 0.030 . 1 . . . . 16 ALA HA . 10204 1 99 . 1 1 16 16 ALA CB C 13 18.918 0.300 . 1 . . . . 16 ALA CB . 10204 1 100 . 1 1 16 16 ALA HB1 H 1 1.535 0.030 . 1 . . . . 16 ALA HB . 10204 1 101 . 1 1 16 16 ALA HB2 H 1 1.535 0.030 . 1 . . . . 16 ALA HB . 10204 1 102 . 1 1 16 16 ALA HB3 H 1 1.535 0.030 . 1 . . . . 16 ALA HB . 10204 1 103 . 1 1 16 16 ALA C C 13 178.161 0.300 . 1 . . . . 16 ALA C . 10204 1 104 . 1 1 17 17 GLU N N 15 118.104 0.300 . 1 . . . . 17 GLU N . 10204 1 105 . 1 1 17 17 GLU H H 1 8.565 0.030 . 1 . . . . 17 GLU H . 10204 1 106 . 1 1 17 17 GLU CA C 13 58.342 0.300 . 1 . . . . 17 GLU CA . 10204 1 107 . 1 1 17 17 GLU HA H 1 4.183 0.030 . 1 . . . . 17 GLU HA . 10204 1 108 . 1 1 17 17 GLU CB C 13 29.540 0.300 . 1 . . . . 17 GLU CB . 10204 1 109 . 1 1 17 17 GLU HB2 H 1 1.365 0.030 . 2 . . . . 17 GLU HB2 . 10204 1 110 . 1 1 17 17 GLU HB3 H 1 1.402 0.030 . 2 . . . . 17 GLU HB3 . 10204 1 111 . 1 1 17 17 GLU CG C 13 35.697 0.300 . 1 . . . . 17 GLU CG . 10204 1 112 . 1 1 17 17 GLU HG2 H 1 1.789 0.030 . 2 . . . . 17 GLU HG2 . 10204 1 113 . 1 1 17 17 GLU HG3 H 1 1.911 0.030 . 2 . . . . 17 GLU HG3 . 10204 1 114 . 1 1 17 17 GLU C C 13 177.383 0.300 . 1 . . . . 17 GLU C . 10204 1 115 . 1 1 18 18 CYS N N 15 114.477 0.300 . 1 . . . . 18 CYS N . 10204 1 116 . 1 1 18 18 CYS H H 1 7.922 0.030 . 1 . . . . 18 CYS H . 10204 1 117 . 1 1 18 18 CYS CA C 13 58.458 0.300 . 1 . . . . 18 CYS CA . 10204 1 118 . 1 1 18 18 CYS HA H 1 5.191 0.030 . 1 . . . . 18 CYS HA . 10204 1 119 . 1 1 18 18 CYS CB C 13 32.615 0.300 . 1 . . . . 18 CYS CB . 10204 1 120 . 1 1 18 18 CYS HB2 H 1 3.448 0.030 . 2 . . . . 18 CYS HB2 . 10204 1 121 . 1 1 18 18 CYS HB3 H 1 2.859 0.030 . 2 . . . . 18 CYS HB3 . 10204 1 122 . 1 1 18 18 CYS C C 13 176.327 0.300 . 1 . . . . 18 CYS C . 10204 1 123 . 1 1 19 19 GLY N N 15 113.483 0.300 . 1 . . . . 19 GLY N . 10204 1 124 . 1 1 19 19 GLY H H 1 8.278 0.030 . 1 . . . . 19 GLY H . 10204 1 125 . 1 1 19 19 GLY CA C 13 46.201 0.300 . 1 . . . . 19 GLY CA . 10204 1 126 . 1 1 19 19 GLY HA2 H 1 4.245 0.030 . 2 . . . . 19 GLY HA2 . 10204 1 127 . 1 1 19 19 GLY HA3 H 1 3.885 0.030 . 2 . . . . 19 GLY HA3 . 10204 1 128 . 1 1 19 19 GLY C C 13 173.983 0.300 . 1 . . . . 19 GLY C . 10204 1 129 . 1 1 20 20 LYS N N 15 122.831 0.300 . 1 . . . . 20 LYS N . 10204 1 130 . 1 1 20 20 LYS H H 1 7.964 0.030 . 1 . . . . 20 LYS H . 10204 1 131 . 1 1 20 20 LYS CA C 13 57.920 0.300 . 1 . . . . 20 LYS CA . 10204 1 132 . 1 1 20 20 LYS HA H 1 4.054 0.030 . 1 . . . . 20 LYS HA . 10204 1 133 . 1 1 20 20 LYS CB C 13 33.613 0.300 . 1 . . . . 20 LYS CB . 10204 1 134 . 1 1 20 20 LYS HB2 H 1 1.248 0.030 . 2 . . . . 20 LYS HB2 . 10204 1 135 . 1 1 20 20 LYS HB3 H 1 1.378 0.030 . 2 . . . . 20 LYS HB3 . 10204 1 136 . 1 1 20 20 LYS CG C 13 26.368 0.300 . 1 . . . . 20 LYS CG . 10204 1 137 . 1 1 20 20 LYS HG2 H 1 1.196 0.030 . 2 . . . . 20 LYS HG2 . 10204 1 138 . 1 1 20 20 LYS HG3 H 1 1.475 0.030 . 2 . . . . 20 LYS HG3 . 10204 1 139 . 1 1 20 20 LYS CD C 13 29.195 0.300 . 1 . . . . 20 LYS CD . 10204 1 140 . 1 1 20 20 LYS HD2 H 1 1.534 0.030 . 1 . . . . 20 LYS HD2 . 10204 1 141 . 1 1 20 20 LYS HD3 H 1 1.534 0.030 . 1 . . . . 20 LYS HD3 . 10204 1 142 . 1 1 20 20 LYS CE C 13 42.273 0.300 . 1 . . . . 20 LYS CE . 10204 1 143 . 1 1 20 20 LYS HE2 H 1 2.962 0.030 . 2 . . . . 20 LYS HE2 . 10204 1 144 . 1 1 20 20 LYS HE3 H 1 3.025 0.030 . 2 . . . . 20 LYS HE3 . 10204 1 145 . 1 1 20 20 LYS C C 13 174.311 0.300 . 1 . . . . 20 LYS C . 10204 1 146 . 1 1 21 21 SER N N 15 115.065 0.300 . 1 . . . . 21 SER N . 10204 1 147 . 1 1 21 21 SER H H 1 7.780 0.030 . 1 . . . . 21 SER H . 10204 1 148 . 1 1 21 21 SER CA C 13 56.653 0.300 . 1 . . . . 21 SER CA . 10204 1 149 . 1 1 21 21 SER HA H 1 5.311 0.030 . 1 . . . . 21 SER HA . 10204 1 150 . 1 1 21 21 SER CB C 13 66.094 0.300 . 1 . . . . 21 SER CB . 10204 1 151 . 1 1 21 21 SER HB2 H 1 3.638 0.030 . 1 . . . . 21 SER HB2 . 10204 1 152 . 1 1 21 21 SER HB3 H 1 3.638 0.030 . 1 . . . . 21 SER HB3 . 10204 1 153 . 1 1 21 21 SER C C 13 173.133 0.300 . 1 . . . . 21 SER C . 10204 1 154 . 1 1 22 22 PHE N N 15 117.950 0.300 . 1 . . . . 22 PHE N . 10204 1 155 . 1 1 22 22 PHE H H 1 8.696 0.030 . 1 . . . . 22 PHE H . 10204 1 156 . 1 1 22 22 PHE CA C 13 57.415 0.300 . 1 . . . . 22 PHE CA . 10204 1 157 . 1 1 22 22 PHE HA H 1 4.824 0.030 . 1 . . . . 22 PHE HA . 10204 1 158 . 1 1 22 22 PHE CB C 13 43.800 0.300 . 1 . . . . 22 PHE CB . 10204 1 159 . 1 1 22 22 PHE HB2 H 1 3.609 0.030 . 2 . . . . 22 PHE HB2 . 10204 1 160 . 1 1 22 22 PHE HB3 H 1 2.643 0.030 . 2 . . . . 22 PHE HB3 . 10204 1 161 . 1 1 22 22 PHE CD1 C 13 132.504 0.300 . 1 . . . . 22 PHE CD1 . 10204 1 162 . 1 1 22 22 PHE HD1 H 1 7.219 0.030 . 1 . . . . 22 PHE HD1 . 10204 1 163 . 1 1 22 22 PHE CD2 C 13 132.504 0.300 . 1 . . . . 22 PHE CD2 . 10204 1 164 . 1 1 22 22 PHE HD2 H 1 7.219 0.030 . 1 . . . . 22 PHE HD2 . 10204 1 165 . 1 1 22 22 PHE CE1 C 13 130.656 0.300 . 1 . . . . 22 PHE CE1 . 10204 1 166 . 1 1 22 22 PHE HE1 H 1 6.855 0.030 . 1 . . . . 22 PHE HE1 . 10204 1 167 . 1 1 22 22 PHE CE2 C 13 130.656 0.300 . 1 . . . . 22 PHE CE2 . 10204 1 168 . 1 1 22 22 PHE HE2 H 1 6.855 0.030 . 1 . . . . 22 PHE HE2 . 10204 1 169 . 1 1 22 22 PHE CZ C 13 128.803 0.300 . 1 . . . . 22 PHE CZ . 10204 1 170 . 1 1 22 22 PHE HZ H 1 6.300 0.030 . 1 . . . . 22 PHE HZ . 10204 1 171 . 1 1 22 22 PHE C C 13 175.440 0.300 . 1 . . . . 22 PHE C . 10204 1 172 . 1 1 23 23 SER N N 15 116.091 0.300 . 1 . . . . 23 SER N . 10204 1 173 . 1 1 23 23 SER H H 1 9.091 0.030 . 1 . . . . 23 SER H . 10204 1 174 . 1 1 23 23 SER CA C 13 61.106 0.300 . 1 . . . . 23 SER CA . 10204 1 175 . 1 1 23 23 SER HA H 1 4.681 0.030 . 1 . . . . 23 SER HA . 10204 1 176 . 1 1 23 23 SER CB C 13 64.301 0.300 . 1 . . . . 23 SER CB . 10204 1 177 . 1 1 23 23 SER HB2 H 1 4.104 0.030 . 1 . . . . 23 SER HB2 . 10204 1 178 . 1 1 23 23 SER HB3 H 1 4.104 0.030 . 1 . . . . 23 SER HB3 . 10204 1 179 . 1 1 23 23 SER C C 13 173.898 0.300 . 1 . . . . 23 SER C . 10204 1 180 . 1 1 24 24 ILE N N 15 114.094 0.300 . 1 . . . . 24 ILE N . 10204 1 181 . 1 1 24 24 ILE H H 1 7.324 0.030 . 1 . . . . 24 ILE H . 10204 1 182 . 1 1 24 24 ILE CA C 13 59.668 0.300 . 1 . . . . 24 ILE CA . 10204 1 183 . 1 1 24 24 ILE HA H 1 4.710 0.030 . 1 . . . . 24 ILE HA . 10204 1 184 . 1 1 24 24 ILE CB C 13 41.565 0.300 . 1 . . . . 24 ILE CB . 10204 1 185 . 1 1 24 24 ILE HB H 1 1.885 0.030 . 1 . . . . 24 ILE HB . 10204 1 186 . 1 1 24 24 ILE CG1 C 13 26.386 0.300 . 1 . . . . 24 ILE CG1 . 10204 1 187 . 1 1 24 24 ILE HG12 H 1 1.131 0.030 . 2 . . . . 24 ILE HG12 . 10204 1 188 . 1 1 24 24 ILE HG13 H 1 1.338 0.030 . 2 . . . . 24 ILE HG13 . 10204 1 189 . 1 1 24 24 ILE CG2 C 13 17.984 0.300 . 1 . . . . 24 ILE CG2 . 10204 1 190 . 1 1 24 24 ILE HG21 H 1 1.013 0.030 . 1 . . . . 24 ILE HG2 . 10204 1 191 . 1 1 24 24 ILE HG22 H 1 1.013 0.030 . 1 . . . . 24 ILE HG2 . 10204 1 192 . 1 1 24 24 ILE HG23 H 1 1.013 0.030 . 1 . . . . 24 ILE HG2 . 10204 1 193 . 1 1 24 24 ILE CD1 C 13 13.184 0.300 . 1 . . . . 24 ILE CD1 . 10204 1 194 . 1 1 24 24 ILE HD11 H 1 0.888 0.030 . 1 . . . . 24 ILE HD1 . 10204 1 195 . 1 1 24 24 ILE HD12 H 1 0.888 0.030 . 1 . . . . 24 ILE HD1 . 10204 1 196 . 1 1 24 24 ILE HD13 H 1 0.888 0.030 . 1 . . . . 24 ILE HD1 . 10204 1 197 . 1 1 24 24 ILE C C 13 176.812 0.300 . 1 . . . . 24 ILE C . 10204 1 198 . 1 1 25 25 SER N N 15 122.408 0.300 . 1 . . . . 25 SER N . 10204 1 199 . 1 1 25 25 SER H H 1 8.516 0.030 . 1 . . . . 25 SER H . 10204 1 200 . 1 1 25 25 SER CA C 13 61.632 0.300 . 1 . . . . 25 SER CA . 10204 1 201 . 1 1 25 25 SER HA H 1 2.913 0.030 . 1 . . . . 25 SER HA . 10204 1 202 . 1 1 25 25 SER CB C 13 61.900 0.300 . 1 . . . . 25 SER CB . 10204 1 203 . 1 1 25 25 SER HB2 H 1 3.245 0.030 . 2 . . . . 25 SER HB2 . 10204 1 204 . 1 1 25 25 SER HB3 H 1 3.432 0.030 . 2 . . . . 25 SER HB3 . 10204 1 205 . 1 1 25 25 SER C C 13 175.441 0.300 . 1 . . . . 25 SER C . 10204 1 206 . 1 1 26 26 SER CA C 13 60.783 0.300 . 1 . . . . 26 SER CA . 10204 1 207 . 1 1 26 26 SER HA H 1 4.116 0.030 . 1 . . . . 26 SER HA . 10204 1 208 . 1 1 26 26 SER CB C 13 61.616 0.300 . 1 . . . . 26 SER CB . 10204 1 209 . 1 1 26 26 SER HB2 H 1 3.864 0.030 . 1 . . . . 26 SER HB2 . 10204 1 210 . 1 1 26 26 SER HB3 H 1 3.864 0.030 . 1 . . . . 26 SER HB3 . 10204 1 211 . 1 1 26 26 SER C C 13 177.043 0.300 . 1 . . . . 26 SER C . 10204 1 212 . 1 1 27 27 GLN N N 15 120.773 0.300 . 1 . . . . 27 GLN N . 10204 1 213 . 1 1 27 27 GLN H H 1 6.969 0.030 . 1 . . . . 27 GLN H . 10204 1 214 . 1 1 27 27 GLN CA C 13 57.897 0.300 . 1 . . . . 27 GLN CA . 10204 1 215 . 1 1 27 27 GLN HA H 1 4.039 0.030 . 1 . . . . 27 GLN HA . 10204 1 216 . 1 1 27 27 GLN CB C 13 28.426 0.300 . 1 . . . . 27 GLN CB . 10204 1 217 . 1 1 27 27 GLN HB2 H 1 2.372 0.030 . 2 . . . . 27 GLN HB2 . 10204 1 218 . 1 1 27 27 GLN HB3 H 1 2.017 0.030 . 2 . . . . 27 GLN HB3 . 10204 1 219 . 1 1 27 27 GLN CG C 13 34.237 0.300 . 1 . . . . 27 GLN CG . 10204 1 220 . 1 1 27 27 GLN HG2 H 1 2.494 0.030 . 2 . . . . 27 GLN HG2 . 10204 1 221 . 1 1 27 27 GLN HG3 H 1 2.348 0.030 . 2 . . . . 27 GLN HG3 . 10204 1 222 . 1 1 27 27 GLN NE2 N 15 110.806 0.300 . 1 . . . . 27 GLN NE2 . 10204 1 223 . 1 1 27 27 GLN HE21 H 1 7.037 0.030 . 2 . . . . 27 GLN HE21 . 10204 1 224 . 1 1 27 27 GLN HE22 H 1 7.588 0.030 . 2 . . . . 27 GLN HE22 . 10204 1 225 . 1 1 27 27 GLN C C 13 178.938 0.300 . 1 . . . . 27 GLN C . 10204 1 226 . 1 1 28 28 LEU N N 15 120.821 0.300 . 1 . . . . 28 LEU N . 10204 1 227 . 1 1 28 28 LEU H H 1 6.728 0.030 . 1 . . . . 28 LEU H . 10204 1 228 . 1 1 28 28 LEU CA C 13 57.617 0.300 . 1 . . . . 28 LEU CA . 10204 1 229 . 1 1 28 28 LEU HA H 1 3.384 0.030 . 1 . . . . 28 LEU HA . 10204 1 230 . 1 1 28 28 LEU CB C 13 40.143 0.300 . 1 . . . . 28 LEU CB . 10204 1 231 . 1 1 28 28 LEU HB2 H 1 1.977 0.030 . 2 . . . . 28 LEU HB2 . 10204 1 232 . 1 1 28 28 LEU HB3 H 1 1.291 0.030 . 2 . . . . 28 LEU HB3 . 10204 1 233 . 1 1 28 28 LEU CG C 13 27.503 0.300 . 1 . . . . 28 LEU CG . 10204 1 234 . 1 1 28 28 LEU HG H 1 1.567 0.030 . 1 . . . . 28 LEU HG . 10204 1 235 . 1 1 28 28 LEU CD1 C 13 26.417 0.300 . 2 . . . . 28 LEU CD1 . 10204 1 236 . 1 1 28 28 LEU HD11 H 1 1.063 0.030 . 1 . . . . 28 LEU HD1 . 10204 1 237 . 1 1 28 28 LEU HD12 H 1 1.063 0.030 . 1 . . . . 28 LEU HD1 . 10204 1 238 . 1 1 28 28 LEU HD13 H 1 1.063 0.030 . 1 . . . . 28 LEU HD1 . 10204 1 239 . 1 1 28 28 LEU CD2 C 13 22.889 0.300 . 2 . . . . 28 LEU CD2 . 10204 1 240 . 1 1 28 28 LEU HD21 H 1 1.078 0.030 . 1 . . . . 28 LEU HD2 . 10204 1 241 . 1 1 28 28 LEU HD22 H 1 1.078 0.030 . 1 . . . . 28 LEU HD2 . 10204 1 242 . 1 1 28 28 LEU HD23 H 1 1.078 0.030 . 1 . . . . 28 LEU HD2 . 10204 1 243 . 1 1 28 28 LEU C C 13 177.298 0.300 . 1 . . . . 28 LEU C . 10204 1 244 . 1 1 29 29 ALA N N 15 121.094 0.300 . 1 . . . . 29 ALA N . 10204 1 245 . 1 1 29 29 ALA H H 1 7.783 0.030 . 1 . . . . 29 ALA H . 10204 1 246 . 1 1 29 29 ALA CA C 13 55.263 0.300 . 1 . . . . 29 ALA CA . 10204 1 247 . 1 1 29 29 ALA HA H 1 4.170 0.030 . 1 . . . . 29 ALA HA . 10204 1 248 . 1 1 29 29 ALA CB C 13 17.736 0.300 . 1 . . . . 29 ALA CB . 10204 1 249 . 1 1 29 29 ALA HB1 H 1 1.410 0.030 . 1 . . . . 29 ALA HB . 10204 1 250 . 1 1 29 29 ALA HB2 H 1 1.410 0.030 . 1 . . . . 29 ALA HB . 10204 1 251 . 1 1 29 29 ALA HB3 H 1 1.410 0.030 . 1 . . . . 29 ALA HB . 10204 1 252 . 1 1 29 29 ALA C C 13 180.735 0.300 . 1 . . . . 29 ALA C . 10204 1 253 . 1 1 30 30 THR N N 15 113.821 0.300 . 1 . . . . 30 THR N . 10204 1 254 . 1 1 30 30 THR H H 1 7.746 0.030 . 1 . . . . 30 THR H . 10204 1 255 . 1 1 30 30 THR CA C 13 66.306 0.300 . 1 . . . . 30 THR CA . 10204 1 256 . 1 1 30 30 THR HA H 1 3.817 0.030 . 1 . . . . 30 THR HA . 10204 1 257 . 1 1 30 30 THR CB C 13 68.819 0.300 . 1 . . . . 30 THR CB . 10204 1 258 . 1 1 30 30 THR HB H 1 4.032 0.030 . 1 . . . . 30 THR HB . 10204 1 259 . 1 1 30 30 THR CG2 C 13 22.008 0.300 . 1 . . . . 30 THR CG2 . 10204 1 260 . 1 1 30 30 THR HG21 H 1 1.212 0.030 . 1 . . . . 30 THR HG2 . 10204 1 261 . 1 1 30 30 THR HG22 H 1 1.212 0.030 . 1 . . . . 30 THR HG2 . 10204 1 262 . 1 1 30 30 THR HG23 H 1 1.212 0.030 . 1 . . . . 30 THR HG2 . 10204 1 263 . 1 1 30 30 THR C C 13 176.566 0.300 . 1 . . . . 30 THR C . 10204 1 264 . 1 1 31 31 HIS N N 15 121.819 0.300 . 1 . . . . 31 HIS N . 10204 1 265 . 1 1 31 31 HIS H H 1 7.543 0.030 . 1 . . . . 31 HIS H . 10204 1 266 . 1 1 31 31 HIS CA C 13 59.405 0.300 . 1 . . . . 31 HIS CA . 10204 1 267 . 1 1 31 31 HIS HA H 1 4.166 0.030 . 1 . . . . 31 HIS HA . 10204 1 268 . 1 1 31 31 HIS CB C 13 28.632 0.300 . 1 . . . . 31 HIS CB . 10204 1 269 . 1 1 31 31 HIS HB2 H 1 3.138 0.030 . 2 . . . . 31 HIS HB2 . 10204 1 270 . 1 1 31 31 HIS HB3 H 1 2.862 0.030 . 2 . . . . 31 HIS HB3 . 10204 1 271 . 1 1 31 31 HIS CD2 C 13 127.186 0.300 . 1 . . . . 31 HIS CD2 . 10204 1 272 . 1 1 31 31 HIS HD2 H 1 6.982 0.030 . 1 . . . . 31 HIS HD2 . 10204 1 273 . 1 1 31 31 HIS CE1 C 13 139.679 0.300 . 1 . . . . 31 HIS CE1 . 10204 1 274 . 1 1 31 31 HIS HE1 H 1 8.041 0.030 . 1 . . . . 31 HIS HE1 . 10204 1 275 . 1 1 31 31 HIS C C 13 176.084 0.300 . 1 . . . . 31 HIS C . 10204 1 276 . 1 1 32 32 GLN N N 15 115.014 0.300 . 1 . . . . 32 GLN N . 10204 1 277 . 1 1 32 32 GLN H H 1 8.439 0.030 . 1 . . . . 32 GLN H . 10204 1 278 . 1 1 32 32 GLN CA C 13 59.346 0.300 . 1 . . . . 32 GLN CA . 10204 1 279 . 1 1 32 32 GLN HA H 1 3.717 0.030 . 1 . . . . 32 GLN HA . 10204 1 280 . 1 1 32 32 GLN CB C 13 28.356 0.300 . 1 . . . . 32 GLN CB . 10204 1 281 . 1 1 32 32 GLN HB2 H 1 2.218 0.030 . 2 . . . . 32 GLN HB2 . 10204 1 282 . 1 1 32 32 GLN HB3 H 1 2.326 0.030 . 2 . . . . 32 GLN HB3 . 10204 1 283 . 1 1 32 32 GLN CG C 13 35.321 0.300 . 1 . . . . 32 GLN CG . 10204 1 284 . 1 1 32 32 GLN HG2 H 1 2.813 0.030 . 1 . . . . 32 GLN HG2 . 10204 1 285 . 1 1 32 32 GLN HG3 H 1 2.813 0.030 . 1 . . . . 32 GLN HG3 . 10204 1 286 . 1 1 32 32 GLN NE2 N 15 112.498 0.300 . 1 . . . . 32 GLN NE2 . 10204 1 287 . 1 1 32 32 GLN HE21 H 1 7.640 0.030 . 2 . . . . 32 GLN HE21 . 10204 1 288 . 1 1 32 32 GLN HE22 H 1 7.067 0.030 . 2 . . . . 32 GLN HE22 . 10204 1 289 . 1 1 32 32 GLN C C 13 177.457 0.300 . 1 . . . . 32 GLN C . 10204 1 290 . 1 1 33 33 ARG N N 15 117.225 0.300 . 1 . . . . 33 ARG N . 10204 1 291 . 1 1 33 33 ARG H H 1 7.124 0.030 . 1 . . . . 33 ARG H . 10204 1 292 . 1 1 33 33 ARG CA C 13 58.406 0.300 . 1 . . . . 33 ARG CA . 10204 1 293 . 1 1 33 33 ARG HA H 1 4.151 0.030 . 1 . . . . 33 ARG HA . 10204 1 294 . 1 1 33 33 ARG CB C 13 29.973 0.300 . 1 . . . . 33 ARG CB . 10204 1 295 . 1 1 33 33 ARG HB2 H 1 1.810 0.030 . 2 . . . . 33 ARG HB2 . 10204 1 296 . 1 1 33 33 ARG HB3 H 1 1.914 0.030 . 2 . . . . 33 ARG HB3 . 10204 1 297 . 1 1 33 33 ARG CG C 13 27.633 0.300 . 1 . . . . 33 ARG CG . 10204 1 298 . 1 1 33 33 ARG HG2 H 1 1.874 0.030 . 2 . . . . 33 ARG HG2 . 10204 1 299 . 1 1 33 33 ARG HG3 H 1 1.681 0.030 . 2 . . . . 33 ARG HG3 . 10204 1 300 . 1 1 33 33 ARG CD C 13 43.547 0.300 . 1 . . . . 33 ARG CD . 10204 1 301 . 1 1 33 33 ARG HD2 H 1 3.223 0.030 . 1 . . . . 33 ARG HD2 . 10204 1 302 . 1 1 33 33 ARG HD3 H 1 3.223 0.030 . 1 . . . . 33 ARG HD3 . 10204 1 303 . 1 1 33 33 ARG C C 13 178.610 0.300 . 1 . . . . 33 ARG C . 10204 1 304 . 1 1 34 34 ILE N N 15 116.430 0.300 . 1 . . . . 34 ILE N . 10204 1 305 . 1 1 34 34 ILE H H 1 7.824 0.030 . 1 . . . . 34 ILE H . 10204 1 306 . 1 1 34 34 ILE CA C 13 63.156 0.300 . 1 . . . . 34 ILE CA . 10204 1 307 . 1 1 34 34 ILE HA H 1 3.975 0.030 . 1 . . . . 34 ILE HA . 10204 1 308 . 1 1 34 34 ILE CB C 13 37.697 0.300 . 1 . . . . 34 ILE CB . 10204 1 309 . 1 1 34 34 ILE HB H 1 1.669 0.030 . 1 . . . . 34 ILE HB . 10204 1 310 . 1 1 34 34 ILE CG1 C 13 26.729 0.300 . 1 . . . . 34 ILE CG1 . 10204 1 311 . 1 1 34 34 ILE HG12 H 1 0.786 0.030 . 2 . . . . 34 ILE HG12 . 10204 1 312 . 1 1 34 34 ILE HG13 H 1 0.938 0.030 . 2 . . . . 34 ILE HG13 . 10204 1 313 . 1 1 34 34 ILE CG2 C 13 16.465 0.300 . 1 . . . . 34 ILE CG2 . 10204 1 314 . 1 1 34 34 ILE HG21 H 1 0.589 0.030 . 1 . . . . 34 ILE HG2 . 10204 1 315 . 1 1 34 34 ILE HG22 H 1 0.589 0.030 . 1 . . . . 34 ILE HG2 . 10204 1 316 . 1 1 34 34 ILE HG23 H 1 0.589 0.030 . 1 . . . . 34 ILE HG2 . 10204 1 317 . 1 1 34 34 ILE CD1 C 13 14.372 0.300 . 1 . . . . 34 ILE CD1 . 10204 1 318 . 1 1 34 34 ILE HD11 H 1 0.712 0.030 . 1 . . . . 34 ILE HD1 . 10204 1 319 . 1 1 34 34 ILE HD12 H 1 0.712 0.030 . 1 . . . . 34 ILE HD1 . 10204 1 320 . 1 1 34 34 ILE HD13 H 1 0.712 0.030 . 1 . . . . 34 ILE HD1 . 10204 1 321 . 1 1 34 34 ILE C C 13 177.432 0.300 . 1 . . . . 34 ILE C . 10204 1 322 . 1 1 35 35 HIS N N 15 117.622 0.300 . 1 . . . . 35 HIS N . 10204 1 323 . 1 1 35 35 HIS H H 1 7.205 0.030 . 1 . . . . 35 HIS H . 10204 1 324 . 1 1 35 35 HIS CA C 13 55.332 0.300 . 1 . . . . 35 HIS CA . 10204 1 325 . 1 1 35 35 HIS HA H 1 4.866 0.030 . 1 . . . . 35 HIS HA . 10204 1 326 . 1 1 35 35 HIS CB C 13 28.598 0.300 . 1 . . . . 35 HIS CB . 10204 1 327 . 1 1 35 35 HIS HB2 H 1 3.246 0.030 . 2 . . . . 35 HIS HB2 . 10204 1 328 . 1 1 35 35 HIS HB3 H 1 3.371 0.030 . 2 . . . . 35 HIS HB3 . 10204 1 329 . 1 1 35 35 HIS CD2 C 13 127.694 0.300 . 1 . . . . 35 HIS CD2 . 10204 1 330 . 1 1 35 35 HIS HD2 H 1 6.779 0.030 . 1 . . . . 35 HIS HD2 . 10204 1 331 . 1 1 35 35 HIS CE1 C 13 139.993 0.300 . 1 . . . . 35 HIS CE1 . 10204 1 332 . 1 1 35 35 HIS HE1 H 1 8.053 0.030 . 1 . . . . 35 HIS HE1 . 10204 1 333 . 1 1 35 35 HIS C C 13 175.877 0.300 . 1 . . . . 35 HIS C . 10204 1 334 . 1 1 36 36 THR N N 15 111.682 0.300 . 1 . . . . 36 THR N . 10204 1 335 . 1 1 36 36 THR H H 1 7.791 0.030 . 1 . . . . 36 THR H . 10204 1 336 . 1 1 36 36 THR CA C 13 62.540 0.300 . 1 . . . . 36 THR CA . 10204 1 337 . 1 1 36 36 THR HA H 1 4.366 0.030 . 1 . . . . 36 THR HA . 10204 1 338 . 1 1 36 36 THR CB C 13 69.869 0.300 . 1 . . . . 36 THR CB . 10204 1 339 . 1 1 36 36 THR HB H 1 4.339 0.030 . 1 . . . . 36 THR HB . 10204 1 340 . 1 1 36 36 THR CG2 C 13 21.610 0.300 . 1 . . . . 36 THR CG2 . 10204 1 341 . 1 1 36 36 THR HG21 H 1 1.257 0.030 . 1 . . . . 36 THR HG2 . 10204 1 342 . 1 1 36 36 THR HG22 H 1 1.257 0.030 . 1 . . . . 36 THR HG2 . 10204 1 343 . 1 1 36 36 THR HG23 H 1 1.257 0.030 . 1 . . . . 36 THR HG2 . 10204 1 344 . 1 1 36 36 THR C C 13 175.490 0.300 . 1 . . . . 36 THR C . 10204 1 345 . 1 1 37 37 GLY N N 15 111.018 0.300 . 1 . . . . 37 GLY N . 10204 1 346 . 1 1 37 37 GLY H H 1 8.462 0.030 . 1 . . . . 37 GLY H . 10204 1 347 . 1 1 37 37 GLY CA C 13 45.323 0.300 . 1 . . . . 37 GLY CA . 10204 1 348 . 1 1 37 37 GLY HA2 H 1 3.967 0.030 . 2 . . . . 37 GLY HA2 . 10204 1 349 . 1 1 37 37 GLY HA3 H 1 4.042 0.030 . 2 . . . . 37 GLY HA3 . 10204 1 350 . 1 1 37 37 GLY C C 13 174.068 0.300 . 1 . . . . 37 GLY C . 10204 1 351 . 1 1 38 38 GLU N N 15 120.568 0.300 . 1 . . . . 38 GLU N . 10204 1 352 . 1 1 38 38 GLU H H 1 8.092 0.030 . 1 . . . . 38 GLU H . 10204 1 353 . 1 1 38 38 GLU CA C 13 56.475 0.300 . 1 . . . . 38 GLU CA . 10204 1 354 . 1 1 38 38 GLU HA H 1 4.262 0.030 . 1 . . . . 38 GLU HA . 10204 1 355 . 1 1 38 38 GLU CB C 13 30.555 0.300 . 1 . . . . 38 GLU CB . 10204 1 356 . 1 1 38 38 GLU HB2 H 1 1.917 0.030 . 2 . . . . 38 GLU HB2 . 10204 1 357 . 1 1 38 38 GLU HB3 H 1 2.007 0.030 . 2 . . . . 38 GLU HB3 . 10204 1 358 . 1 1 38 38 GLU CG C 13 36.185 0.300 . 1 . . . . 38 GLU CG . 10204 1 359 . 1 1 38 38 GLU HG2 H 1 2.220 0.030 . 2 . . . . 38 GLU HG2 . 10204 1 360 . 1 1 38 38 GLU HG3 H 1 2.290 0.030 . 2 . . . . 38 GLU HG3 . 10204 1 361 . 1 1 38 38 GLU C C 13 176.242 0.300 . 1 . . . . 38 GLU C . 10204 1 362 . 1 1 39 39 LYS N N 15 123.829 0.300 . 1 . . . . 39 LYS N . 10204 1 363 . 1 1 39 39 LYS H H 1 8.398 0.030 . 1 . . . . 39 LYS H . 10204 1 364 . 1 1 39 39 LYS CA C 13 54.142 0.300 . 1 . . . . 39 LYS CA . 10204 1 365 . 1 1 39 39 LYS HA H 1 4.624 0.030 . 1 . . . . 39 LYS HA . 10204 1 366 . 1 1 39 39 LYS CB C 13 32.528 0.300 . 1 . . . . 39 LYS CB . 10204 1 367 . 1 1 39 39 LYS HB2 H 1 1.834 0.030 . 2 . . . . 39 LYS HB2 . 10204 1 368 . 1 1 39 39 LYS HB3 H 1 1.743 0.030 . 2 . . . . 39 LYS HB3 . 10204 1 369 . 1 1 39 39 LYS CG C 13 24.516 0.300 . 1 . . . . 39 LYS CG . 10204 1 370 . 1 1 39 39 LYS HG2 H 1 1.485 0.030 . 1 . . . . 39 LYS HG2 . 10204 1 371 . 1 1 39 39 LYS HG3 H 1 1.485 0.030 . 1 . . . . 39 LYS HG3 . 10204 1 372 . 1 1 39 39 LYS CD C 13 29.164 0.300 . 1 . . . . 39 LYS CD . 10204 1 373 . 1 1 39 39 LYS HD2 H 1 1.702 0.030 . 1 . . . . 39 LYS HD2 . 10204 1 374 . 1 1 39 39 LYS HD3 H 1 1.702 0.030 . 1 . . . . 39 LYS HD3 . 10204 1 375 . 1 1 39 39 LYS CE C 13 42.244 0.300 . 1 . . . . 39 LYS CE . 10204 1 376 . 1 1 39 39 LYS HE2 H 1 2.928 0.030 . 1 . . . . 39 LYS HE2 . 10204 1 377 . 1 1 39 39 LYS HE3 H 1 2.928 0.030 . 1 . . . . 39 LYS HE3 . 10204 1 378 . 1 1 40 40 PRO CA C 13 63.167 0.300 . 1 . . . . 40 PRO CA . 10204 1 379 . 1 1 40 40 PRO HA H 1 4.470 0.030 . 1 . . . . 40 PRO HA . 10204 1 380 . 1 1 40 40 PRO CB C 13 32.193 0.300 . 1 . . . . 40 PRO CB . 10204 1 381 . 1 1 40 40 PRO HB2 H 1 2.318 0.030 . 2 . . . . 40 PRO HB2 . 10204 1 382 . 1 1 40 40 PRO HB3 H 1 1.957 0.030 . 2 . . . . 40 PRO HB3 . 10204 1 383 . 1 1 40 40 PRO CG C 13 27.432 0.300 . 1 . . . . 40 PRO CG . 10204 1 384 . 1 1 40 40 PRO HG2 H 1 2.034 0.030 . 1 . . . . 40 PRO HG2 . 10204 1 385 . 1 1 40 40 PRO HG3 H 1 2.034 0.030 . 1 . . . . 40 PRO HG3 . 10204 1 386 . 1 1 40 40 PRO CD C 13 50.706 0.300 . 1 . . . . 40 PRO CD . 10204 1 387 . 1 1 40 40 PRO HD2 H 1 3.662 0.030 . 2 . . . . 40 PRO HD2 . 10204 1 388 . 1 1 40 40 PRO HD3 H 1 3.831 0.030 . 2 . . . . 40 PRO HD3 . 10204 1 389 . 1 1 40 40 PRO C C 13 177.019 0.300 . 1 . . . . 40 PRO C . 10204 1 390 . 1 1 41 41 SER N N 15 116.494 0.300 . 1 . . . . 41 SER N . 10204 1 391 . 1 1 41 41 SER H H 1 8.475 0.030 . 1 . . . . 41 SER H . 10204 1 392 . 1 1 41 41 SER CA C 13 58.355 0.300 . 1 . . . . 41 SER CA . 10204 1 393 . 1 1 41 41 SER HA H 1 4.472 0.030 . 1 . . . . 41 SER HA . 10204 1 394 . 1 1 41 41 SER CB C 13 64.047 0.300 . 1 . . . . 41 SER CB . 10204 1 395 . 1 1 41 41 SER HB2 H 1 3.899 0.030 . 2 . . . . 41 SER HB2 . 10204 1 396 . 1 1 41 41 SER C C 13 174.761 0.300 . 1 . . . . 41 SER C . 10204 1 397 . 1 1 42 42 GLY CA C 13 44.674 0.300 . 1 . . . . 42 GLY CA . 10204 1 398 . 1 1 42 42 GLY HA2 H 1 4.117 0.030 . 2 . . . . 42 GLY HA2 . 10204 1 399 . 1 1 42 42 GLY HA3 H 1 4.175 0.030 . 2 . . . . 42 GLY HA3 . 10204 1 400 . 1 1 43 43 PRO CA C 13 63.252 0.300 . 1 . . . . 43 PRO CA . 10204 1 401 . 1 1 43 43 PRO HA H 1 4.485 0.030 . 1 . . . . 43 PRO HA . 10204 1 402 . 1 1 43 43 PRO CB C 13 32.259 0.300 . 1 . . . . 43 PRO CB . 10204 1 403 . 1 1 43 43 PRO HB2 H 1 2.304 0.030 . 2 . . . . 43 PRO HB2 . 10204 1 404 . 1 1 43 43 PRO HB3 H 1 2.005 0.030 . 2 . . . . 43 PRO HB3 . 10204 1 405 . 1 1 43 43 PRO CG C 13 27.181 0.300 . 1 . . . . 43 PRO CG . 10204 1 406 . 1 1 43 43 PRO HG2 H 1 2.029 0.030 . 1 . . . . 43 PRO HG2 . 10204 1 407 . 1 1 43 43 PRO HG3 H 1 2.029 0.030 . 1 . . . . 43 PRO HG3 . 10204 1 408 . 1 1 43 43 PRO CD C 13 49.823 0.300 . 1 . . . . 43 PRO CD . 10204 1 409 . 1 1 43 43 PRO HD2 H 1 3.642 0.030 . 1 . . . . 43 PRO HD2 . 10204 1 410 . 1 1 43 43 PRO HD3 H 1 3.642 0.030 . 1 . . . . 43 PRO HD3 . 10204 1 411 . 1 1 45 45 SER CA C 13 58.354 0.300 . 1 . . . . 45 SER CA . 10204 1 412 . 1 1 45 45 SER HA H 1 4.511 0.030 . 1 . . . . 45 SER HA . 10204 1 413 . 1 1 45 45 SER CB C 13 64.043 0.300 . 1 . . . . 45 SER CB . 10204 1 414 . 1 1 45 45 SER HB2 H 1 3.888 0.030 . 1 . . . . 45 SER HB2 . 10204 1 415 . 1 1 45 45 SER HB3 H 1 3.888 0.030 . 1 . . . . 45 SER HB3 . 10204 1 416 . 1 1 45 45 SER C C 13 173.934 0.300 . 1 . . . . 45 SER C . 10204 1 417 . 1 1 46 46 GLY N N 15 109.873 0.300 . 1 . . . . 46 GLY N . 10204 1 418 . 1 1 46 46 GLY H H 1 8.047 0.030 . 1 . . . . 46 GLY H . 10204 1 419 . 1 1 46 46 GLY CA C 13 46.247 0.300 . 1 . . . . 46 GLY CA . 10204 1 420 . 1 1 46 46 GLY HA2 H 1 3.812 0.030 . 2 . . . . 46 GLY HA2 . 10204 1 421 . 1 1 46 46 GLY HA3 H 1 3.764 0.030 . 2 . . . . 46 GLY HA3 . 10204 1 422 . 1 1 46 46 GLY C C 13 178.987 0.300 . 1 . . . . 46 GLY C . 10204 1 stop_ save_