################################### # 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 10191 _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 10191 1 2 '3D 15N-separated NOESY' 1 $sample_1 isotropic 10191 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 8 8 THR CA C 13 61.809 0.300 . 1 . . . . 8 THR CA . 10191 1 2 . 1 1 8 8 THR HA H 1 4.339 0.030 . 1 . . . . 8 THR HA . 10191 1 3 . 1 1 8 8 THR CB C 13 69.833 0.300 . 1 . . . . 8 THR CB . 10191 1 4 . 1 1 8 8 THR HB H 1 4.267 0.030 . 1 . . . . 8 THR HB . 10191 1 5 . 1 1 8 8 THR CG2 C 13 21.514 0.300 . 1 . . . . 8 THR CG2 . 10191 1 6 . 1 1 8 8 THR HG21 H 1 1.155 0.030 . 1 . . . . 8 THR HG2 . 10191 1 7 . 1 1 8 8 THR HG22 H 1 1.155 0.030 . 1 . . . . 8 THR HG2 . 10191 1 8 . 1 1 8 8 THR HG23 H 1 1.155 0.030 . 1 . . . . 8 THR HG2 . 10191 1 9 . 1 1 8 8 THR C C 13 175.270 0.300 . 1 . . . . 8 THR C . 10191 1 10 . 1 1 9 9 GLY N N 15 111.063 0.300 . 1 . . . . 9 GLY N . 10191 1 11 . 1 1 9 9 GLY H H 1 8.444 0.030 . 1 . . . . 9 GLY H . 10191 1 12 . 1 1 9 9 GLY CA C 13 45.198 0.300 . 1 . . . . 9 GLY CA . 10191 1 13 . 1 1 9 9 GLY HA2 H 1 3.925 0.030 . 2 . . . . 9 GLY HA2 . 10191 1 14 . 1 1 9 9 GLY HA3 H 1 3.888 0.030 . 2 . . . . 9 GLY HA3 . 10191 1 15 . 1 1 9 9 GLY C C 13 174.015 0.300 . 1 . . . . 9 GLY C . 10191 1 16 . 1 1 10 10 GLU N N 15 120.294 0.300 . 1 . . . . 10 GLU N . 10191 1 17 . 1 1 10 10 GLU H H 1 8.193 0.030 . 1 . . . . 10 GLU H . 10191 1 18 . 1 1 10 10 GLU CA C 13 56.635 0.300 . 1 . . . . 10 GLU CA . 10191 1 19 . 1 1 10 10 GLU HA H 1 4.170 0.030 . 1 . . . . 10 GLU HA . 10191 1 20 . 1 1 10 10 GLU CB C 13 30.501 0.300 . 1 . . . . 10 GLU CB . 10191 1 21 . 1 1 10 10 GLU HB2 H 1 1.954 0.030 . 2 . . . . 10 GLU HB2 . 10191 1 22 . 1 1 10 10 GLU HB3 H 1 1.849 0.030 . 2 . . . . 10 GLU HB3 . 10191 1 23 . 1 1 10 10 GLU CG C 13 36.237 0.300 . 1 . . . . 10 GLU CG . 10191 1 24 . 1 1 10 10 GLU HG2 H 1 2.210 0.030 . 2 . . . . 10 GLU HG2 . 10191 1 25 . 1 1 10 10 GLU HG3 H 1 2.168 0.030 . 2 . . . . 10 GLU HG3 . 10191 1 26 . 1 1 10 10 GLU C C 13 176.395 0.300 . 1 . . . . 10 GLU C . 10191 1 27 . 1 1 11 11 LYS N N 15 122.626 0.300 . 1 . . . . 11 LYS N . 10191 1 28 . 1 1 11 11 LYS H H 1 8.329 0.030 . 1 . . . . 11 LYS H . 10191 1 29 . 1 1 11 11 LYS CA C 13 53.922 0.300 . 1 . . . . 11 LYS CA . 10191 1 30 . 1 1 11 11 LYS HA H 1 4.446 0.030 . 1 . . . . 11 LYS HA . 10191 1 31 . 1 1 11 11 LYS CB C 13 32.479 0.300 . 1 . . . . 11 LYS CB . 10191 1 32 . 1 1 11 11 LYS HB2 H 1 1.557 0.030 . 2 . . . . 11 LYS HB2 . 10191 1 33 . 1 1 11 11 LYS HB3 H 1 1.467 0.030 . 2 . . . . 11 LYS HB3 . 10191 1 34 . 1 1 11 11 LYS CG C 13 24.586 0.300 . 1 . . . . 11 LYS CG . 10191 1 35 . 1 1 11 11 LYS HG2 H 1 1.277 0.030 . 2 . . . . 11 LYS HG2 . 10191 1 36 . 1 1 11 11 LYS HG3 H 1 1.221 0.030 . 2 . . . . 11 LYS HG3 . 10191 1 37 . 1 1 11 11 LYS CD C 13 29.229 0.300 . 1 . . . . 11 LYS CD . 10191 1 38 . 1 1 11 11 LYS HD2 H 1 1.532 0.030 . 2 . . . . 11 LYS HD2 . 10191 1 39 . 1 1 11 11 LYS HD3 H 1 1.466 0.030 . 2 . . . . 11 LYS HD3 . 10191 1 40 . 1 1 11 11 LYS CE C 13 42.132 0.300 . 1 . . . . 11 LYS CE . 10191 1 41 . 1 1 11 11 LYS HE2 H 1 2.870 0.030 . 1 . . . . 11 LYS HE2 . 10191 1 42 . 1 1 11 11 LYS HE3 H 1 2.870 0.030 . 1 . . . . 11 LYS HE3 . 10191 1 43 . 1 1 11 11 LYS C C 13 174.018 0.300 . 1 . . . . 11 LYS C . 10191 1 44 . 1 1 12 12 PRO CA C 13 63.321 0.300 . 1 . . . . 12 PRO CA . 10191 1 45 . 1 1 12 12 PRO HA H 1 4.283 0.030 . 1 . . . . 12 PRO HA . 10191 1 46 . 1 1 12 12 PRO CB C 13 32.313 0.300 . 1 . . . . 12 PRO CB . 10191 1 47 . 1 1 12 12 PRO HB2 H 1 1.467 0.030 . 2 . . . . 12 PRO HB2 . 10191 1 48 . 1 1 12 12 PRO HB3 H 1 2.014 0.030 . 2 . . . . 12 PRO HB3 . 10191 1 49 . 1 1 12 12 PRO CG C 13 26.743 0.300 . 1 . . . . 12 PRO CG . 10191 1 50 . 1 1 12 12 PRO HG2 H 1 1.620 0.030 . 2 . . . . 12 PRO HG2 . 10191 1 51 . 1 1 12 12 PRO HG3 H 1 1.821 0.030 . 2 . . . . 12 PRO HG3 . 10191 1 52 . 1 1 12 12 PRO CD C 13 50.199 0.300 . 1 . . . . 12 PRO CD . 10191 1 53 . 1 1 12 12 PRO HD2 H 1 3.565 0.030 . 1 . . . . 12 PRO HD2 . 10191 1 54 . 1 1 12 12 PRO HD3 H 1 3.565 0.030 . 1 . . . . 12 PRO HD3 . 10191 1 55 . 1 1 12 12 PRO C C 13 176.149 0.300 . 1 . . . . 12 PRO C . 10191 1 56 . 1 1 13 13 HIS N N 15 119.256 0.300 . 1 . . . . 13 HIS N . 10191 1 57 . 1 1 13 13 HIS H H 1 8.026 0.030 . 1 . . . . 13 HIS H . 10191 1 58 . 1 1 13 13 HIS CA C 13 55.275 0.300 . 1 . . . . 13 HIS CA . 10191 1 59 . 1 1 13 13 HIS HA H 1 4.602 0.030 . 1 . . . . 13 HIS HA . 10191 1 60 . 1 1 13 13 HIS CB C 13 30.264 0.300 . 1 . . . . 13 HIS CB . 10191 1 61 . 1 1 13 13 HIS HB2 H 1 2.888 0.030 . 2 . . . . 13 HIS HB2 . 10191 1 62 . 1 1 13 13 HIS HB3 H 1 3.100 0.030 . 2 . . . . 13 HIS HB3 . 10191 1 63 . 1 1 13 13 HIS CD2 C 13 120.559 0.300 . 1 . . . . 13 HIS CD2 . 10191 1 64 . 1 1 13 13 HIS HD2 H 1 6.759 0.030 . 1 . . . . 13 HIS HD2 . 10191 1 65 . 1 1 13 13 HIS CE1 C 13 138.855 0.300 . 1 . . . . 13 HIS CE1 . 10191 1 66 . 1 1 13 13 HIS HE1 H 1 7.866 0.030 . 1 . . . . 13 HIS HE1 . 10191 1 67 . 1 1 13 13 HIS C C 13 174.072 0.300 . 1 . . . . 13 HIS C . 10191 1 68 . 1 1 14 14 GLU N N 15 124.697 0.300 . 1 . . . . 14 GLU N . 10191 1 69 . 1 1 14 14 GLU H H 1 8.462 0.030 . 1 . . . . 14 GLU H . 10191 1 70 . 1 1 14 14 GLU CA C 13 55.194 0.300 . 1 . . . . 14 GLU CA . 10191 1 71 . 1 1 14 14 GLU HA H 1 4.702 0.030 . 1 . . . . 14 GLU HA . 10191 1 72 . 1 1 14 14 GLU CB C 13 32.794 0.300 . 1 . . . . 14 GLU CB . 10191 1 73 . 1 1 14 14 GLU HB2 H 1 1.790 0.030 . 1 . . . . 14 GLU HB2 . 10191 1 74 . 1 1 14 14 GLU HB3 H 1 1.790 0.030 . 1 . . . . 14 GLU HB3 . 10191 1 75 . 1 1 14 14 GLU CG C 13 36.313 0.300 . 1 . . . . 14 GLU CG . 10191 1 76 . 1 1 14 14 GLU HG2 H 1 1.930 0.030 . 2 . . . . 14 GLU HG2 . 10191 1 77 . 1 1 14 14 GLU HG3 H 1 1.858 0.030 . 2 . . . . 14 GLU HG3 . 10191 1 78 . 1 1 14 14 GLU C C 13 175.024 0.300 . 1 . . . . 14 GLU C . 10191 1 79 . 1 1 15 15 CYS N N 15 126.805 0.300 . 1 . . . . 15 CYS N . 10191 1 80 . 1 1 15 15 CYS H H 1 9.220 0.030 . 1 . . . . 15 CYS H . 10191 1 81 . 1 1 15 15 CYS CA C 13 59.261 0.300 . 1 . . . . 15 CYS CA . 10191 1 82 . 1 1 15 15 CYS HA H 1 4.564 0.030 . 1 . . . . 15 CYS HA . 10191 1 83 . 1 1 15 15 CYS CB C 13 29.450 0.300 . 1 . . . . 15 CYS CB . 10191 1 84 . 1 1 15 15 CYS HB2 H 1 3.383 0.030 . 2 . . . . 15 CYS HB2 . 10191 1 85 . 1 1 15 15 CYS HB3 H 1 2.811 0.030 . 2 . . . . 15 CYS HB3 . 10191 1 86 . 1 1 15 15 CYS C C 13 177.227 0.300 . 1 . . . . 15 CYS C . 10191 1 87 . 1 1 16 16 ARG N N 15 114.338 0.300 . 1 . . . . 16 ARG N . 10191 1 88 . 1 1 16 16 ARG H H 1 9.348 0.030 . 1 . . . . 16 ARG H . 10191 1 89 . 1 1 16 16 ARG CA C 13 58.121 0.300 . 1 . . . . 16 ARG CA . 10191 1 90 . 1 1 16 16 ARG HA H 1 4.164 0.030 . 1 . . . . 16 ARG HA . 10191 1 91 . 1 1 16 16 ARG CB C 13 29.789 0.300 . 1 . . . . 16 ARG CB . 10191 1 92 . 1 1 16 16 ARG HB2 H 1 1.913 0.030 . 2 . . . . 16 ARG HB2 . 10191 1 93 . 1 1 16 16 ARG CG C 13 27.218 0.300 . 1 . . . . 16 ARG CG . 10191 1 94 . 1 1 16 16 ARG HG2 H 1 1.724 0.030 . 1 . . . . 16 ARG HG2 . 10191 1 95 . 1 1 16 16 ARG HG3 H 1 1.724 0.030 . 1 . . . . 16 ARG HG3 . 10191 1 96 . 1 1 16 16 ARG CD C 13 43.124 0.300 . 1 . . . . 16 ARG CD . 10191 1 97 . 1 1 16 16 ARG HD2 H 1 3.210 0.030 . 1 . . . . 16 ARG HD2 . 10191 1 98 . 1 1 16 16 ARG HD3 H 1 3.210 0.030 . 1 . . . . 16 ARG HD3 . 10191 1 99 . 1 1 16 16 ARG C C 13 176.716 0.300 . 1 . . . . 16 ARG C . 10191 1 100 . 1 1 17 17 GLU N N 15 119.673 0.300 . 1 . . . . 17 GLU N . 10191 1 101 . 1 1 17 17 GLU H H 1 8.516 0.030 . 1 . . . . 17 GLU H . 10191 1 102 . 1 1 17 17 GLU CA C 13 58.332 0.300 . 1 . . . . 17 GLU CA . 10191 1 103 . 1 1 17 17 GLU HA H 1 4.146 0.030 . 1 . . . . 17 GLU HA . 10191 1 104 . 1 1 17 17 GLU CB C 13 29.305 0.300 . 1 . . . . 17 GLU CB . 10191 1 105 . 1 1 17 17 GLU HB2 H 1 1.320 0.030 . 1 . . . . 17 GLU HB2 . 10191 1 106 . 1 1 17 17 GLU HB3 H 1 1.320 0.030 . 1 . . . . 17 GLU HB3 . 10191 1 107 . 1 1 17 17 GLU CG C 13 35.735 0.300 . 1 . . . . 17 GLU CG . 10191 1 108 . 1 1 17 17 GLU HG2 H 1 1.761 0.030 . 2 . . . . 17 GLU HG2 . 10191 1 109 . 1 1 17 17 GLU HG3 H 1 1.863 0.030 . 2 . . . . 17 GLU HG3 . 10191 1 110 . 1 1 17 17 GLU C C 13 177.290 0.300 . 1 . . . . 17 GLU C . 10191 1 111 . 1 1 18 18 CYS N N 15 114.190 0.300 . 1 . . . . 18 CYS N . 10191 1 112 . 1 1 18 18 CYS H H 1 7.848 0.030 . 1 . . . . 18 CYS H . 10191 1 113 . 1 1 18 18 CYS CA C 13 58.352 0.300 . 1 . . . . 18 CYS CA . 10191 1 114 . 1 1 18 18 CYS HA H 1 5.141 0.030 . 1 . . . . 18 CYS HA . 10191 1 115 . 1 1 18 18 CYS CB C 13 32.546 0.300 . 1 . . . . 18 CYS CB . 10191 1 116 . 1 1 18 18 CYS HB2 H 1 2.813 0.030 . 2 . . . . 18 CYS HB2 . 10191 1 117 . 1 1 18 18 CYS HB3 H 1 3.396 0.030 . 2 . . . . 18 CYS HB3 . 10191 1 118 . 1 1 18 18 CYS C C 13 176.195 0.300 . 1 . . . . 18 CYS C . 10191 1 119 . 1 1 19 19 GLY N N 15 113.563 0.300 . 1 . . . . 19 GLY N . 10191 1 120 . 1 1 19 19 GLY H H 1 8.233 0.030 . 1 . . . . 19 GLY H . 10191 1 121 . 1 1 19 19 GLY CA C 13 46.147 0.300 . 1 . . . . 19 GLY CA . 10191 1 122 . 1 1 19 19 GLY HA2 H 1 3.839 0.030 . 2 . . . . 19 GLY HA2 . 10191 1 123 . 1 1 19 19 GLY HA3 H 1 4.195 0.030 . 2 . . . . 19 GLY HA3 . 10191 1 124 . 1 1 19 19 GLY C C 13 173.979 0.300 . 1 . . . . 19 GLY C . 10191 1 125 . 1 1 20 20 LYS N N 15 122.714 0.300 . 1 . . . . 20 LYS N . 10191 1 126 . 1 1 20 20 LYS H H 1 7.906 0.030 . 1 . . . . 20 LYS H . 10191 1 127 . 1 1 20 20 LYS CA C 13 57.773 0.300 . 1 . . . . 20 LYS CA . 10191 1 128 . 1 1 20 20 LYS HA H 1 4.016 0.030 . 1 . . . . 20 LYS HA . 10191 1 129 . 1 1 20 20 LYS CB C 13 33.694 0.300 . 1 . . . . 20 LYS CB . 10191 1 130 . 1 1 20 20 LYS HB2 H 1 1.324 0.030 . 2 . . . . 20 LYS HB2 . 10191 1 131 . 1 1 20 20 LYS HB3 H 1 1.197 0.030 . 2 . . . . 20 LYS HB3 . 10191 1 132 . 1 1 20 20 LYS CG C 13 26.312 0.300 . 1 . . . . 20 LYS CG . 10191 1 133 . 1 1 20 20 LYS HG2 H 1 1.137 0.030 . 2 . . . . 20 LYS HG2 . 10191 1 134 . 1 1 20 20 LYS HG3 H 1 1.441 0.030 . 2 . . . . 20 LYS HG3 . 10191 1 135 . 1 1 20 20 LYS CD C 13 29.179 0.300 . 1 . . . . 20 LYS CD . 10191 1 136 . 1 1 20 20 LYS HD2 H 1 1.491 0.030 . 1 . . . . 20 LYS HD2 . 10191 1 137 . 1 1 20 20 LYS HD3 H 1 1.491 0.030 . 1 . . . . 20 LYS HD3 . 10191 1 138 . 1 1 20 20 LYS CE C 13 42.167 0.300 . 1 . . . . 20 LYS CE . 10191 1 139 . 1 1 20 20 LYS HE2 H 1 2.919 0.030 . 2 . . . . 20 LYS HE2 . 10191 1 140 . 1 1 20 20 LYS HE3 H 1 2.975 0.030 . 2 . . . . 20 LYS HE3 . 10191 1 141 . 1 1 20 20 LYS C C 13 174.181 0.300 . 1 . . . . 20 LYS C . 10191 1 142 . 1 1 21 21 SER N N 15 114.889 0.300 . 1 . . . . 21 SER N . 10191 1 143 . 1 1 21 21 SER H H 1 7.770 0.030 . 1 . . . . 21 SER H . 10191 1 144 . 1 1 21 21 SER CA C 13 56.643 0.300 . 1 . . . . 21 SER CA . 10191 1 145 . 1 1 21 21 SER HA H 1 5.178 0.030 . 1 . . . . 21 SER HA . 10191 1 146 . 1 1 21 21 SER CB C 13 65.863 0.300 . 1 . . . . 21 SER CB . 10191 1 147 . 1 1 21 21 SER HB2 H 1 3.541 0.030 . 1 . . . . 21 SER HB2 . 10191 1 148 . 1 1 21 21 SER HB3 H 1 3.541 0.030 . 1 . . . . 21 SER HB3 . 10191 1 149 . 1 1 21 21 SER C C 13 173.075 0.300 . 1 . . . . 21 SER C . 10191 1 150 . 1 1 22 22 PHE N N 15 118.070 0.300 . 1 . . . . 22 PHE N . 10191 1 151 . 1 1 22 22 PHE H H 1 8.425 0.030 . 1 . . . . 22 PHE H . 10191 1 152 . 1 1 22 22 PHE CA C 13 57.274 0.300 . 1 . . . . 22 PHE CA . 10191 1 153 . 1 1 22 22 PHE HA H 1 4.717 0.030 . 1 . . . . 22 PHE HA . 10191 1 154 . 1 1 22 22 PHE CB C 13 43.580 0.300 . 1 . . . . 22 PHE CB . 10191 1 155 . 1 1 22 22 PHE HB2 H 1 2.586 0.030 . 2 . . . . 22 PHE HB2 . 10191 1 156 . 1 1 22 22 PHE HB3 H 1 3.576 0.030 . 2 . . . . 22 PHE HB3 . 10191 1 157 . 1 1 22 22 PHE CD1 C 13 132.328 0.300 . 1 . . . . 22 PHE CD1 . 10191 1 158 . 1 1 22 22 PHE HD1 H 1 7.180 0.030 . 1 . . . . 22 PHE HD1 . 10191 1 159 . 1 1 22 22 PHE CD2 C 13 132.328 0.300 . 1 . . . . 22 PHE CD2 . 10191 1 160 . 1 1 22 22 PHE HD2 H 1 7.180 0.030 . 1 . . . . 22 PHE HD2 . 10191 1 161 . 1 1 22 22 PHE CE1 C 13 130.574 0.300 . 1 . . . . 22 PHE CE1 . 10191 1 162 . 1 1 22 22 PHE HE1 H 1 6.808 0.030 . 1 . . . . 22 PHE HE1 . 10191 1 163 . 1 1 22 22 PHE CE2 C 13 130.574 0.300 . 1 . . . . 22 PHE CE2 . 10191 1 164 . 1 1 22 22 PHE HE2 H 1 6.808 0.030 . 1 . . . . 22 PHE HE2 . 10191 1 165 . 1 1 22 22 PHE CZ C 13 128.676 0.300 . 1 . . . . 22 PHE CZ . 10191 1 166 . 1 1 22 22 PHE HZ H 1 6.207 0.030 . 1 . . . . 22 PHE HZ . 10191 1 167 . 1 1 22 22 PHE C C 13 175.562 0.300 . 1 . . . . 22 PHE C . 10191 1 168 . 1 1 23 23 SER N N 15 117.719 0.300 . 1 . . . . 23 SER N . 10191 1 169 . 1 1 23 23 SER H H 1 8.890 0.030 . 1 . . . . 23 SER H . 10191 1 170 . 1 1 23 23 SER CA C 13 61.814 0.300 . 1 . . . . 23 SER CA . 10191 1 171 . 1 1 23 23 SER HA H 1 4.259 0.030 . 1 . . . . 23 SER HA . 10191 1 172 . 1 1 23 23 SER CB C 13 63.470 0.300 . 1 . . . . 23 SER CB . 10191 1 173 . 1 1 23 23 SER HB2 H 1 3.283 0.030 . 2 . . . . 23 SER HB2 . 10191 1 174 . 1 1 23 23 SER HB3 H 1 3.599 0.030 . 2 . . . . 23 SER HB3 . 10191 1 175 . 1 1 23 23 SER C C 13 173.419 0.300 . 1 . . . . 23 SER C . 10191 1 176 . 1 1 24 24 PHE N N 15 114.646 0.300 . 1 . . . . 24 PHE N . 10191 1 177 . 1 1 24 24 PHE H H 1 7.747 0.030 . 1 . . . . 24 PHE H . 10191 1 178 . 1 1 24 24 PHE CA C 13 55.800 0.300 . 1 . . . . 24 PHE CA . 10191 1 179 . 1 1 24 24 PHE HA H 1 4.891 0.030 . 1 . . . . 24 PHE HA . 10191 1 180 . 1 1 24 24 PHE CB C 13 42.497 0.300 . 1 . . . . 24 PHE CB . 10191 1 181 . 1 1 24 24 PHE HB2 H 1 3.425 0.030 . 2 . . . . 24 PHE HB2 . 10191 1 182 . 1 1 24 24 PHE HB3 H 1 2.466 0.030 . 2 . . . . 24 PHE HB3 . 10191 1 183 . 1 1 24 24 PHE CD1 C 13 132.233 0.300 . 1 . . . . 24 PHE CD1 . 10191 1 184 . 1 1 24 24 PHE HD1 H 1 7.239 0.030 . 1 . . . . 24 PHE HD1 . 10191 1 185 . 1 1 24 24 PHE CD2 C 13 132.233 0.300 . 1 . . . . 24 PHE CD2 . 10191 1 186 . 1 1 24 24 PHE HD2 H 1 7.239 0.030 . 1 . . . . 24 PHE HD2 . 10191 1 187 . 1 1 24 24 PHE CE1 C 13 131.331 0.300 . 1 . . . . 24 PHE CE1 . 10191 1 188 . 1 1 24 24 PHE HE1 H 1 7.375 0.030 . 1 . . . . 24 PHE HE1 . 10191 1 189 . 1 1 24 24 PHE CE2 C 13 131.331 0.300 . 1 . . . . 24 PHE CE2 . 10191 1 190 . 1 1 24 24 PHE HE2 H 1 7.375 0.030 . 1 . . . . 24 PHE HE2 . 10191 1 191 . 1 1 24 24 PHE CZ C 13 129.962 0.300 . 1 . . . . 24 PHE CZ . 10191 1 192 . 1 1 24 24 PHE HZ H 1 7.317 0.030 . 1 . . . . 24 PHE HZ . 10191 1 193 . 1 1 24 24 PHE C C 13 176.175 0.300 . 1 . . . . 24 PHE C . 10191 1 194 . 1 1 25 25 ASN CA C 13 56.980 0.300 . 1 . . . . 25 ASN CA . 10191 1 195 . 1 1 25 25 ASN HA H 1 3.746 0.030 . 1 . . . . 25 ASN HA . 10191 1 196 . 1 1 25 25 ASN CB C 13 38.999 0.300 . 1 . . . . 25 ASN CB . 10191 1 197 . 1 1 25 25 ASN HB2 H 1 2.480 0.030 . 2 . . . . 25 ASN HB2 . 10191 1 198 . 1 1 25 25 ASN HB3 H 1 2.356 0.030 . 2 . . . . 25 ASN HB3 . 10191 1 199 . 1 1 25 25 ASN ND2 N 15 112.793 0.300 . 1 . . . . 25 ASN ND2 . 10191 1 200 . 1 1 25 25 ASN HD21 H 1 7.621 0.030 . 2 . . . . 25 ASN HD21 . 10191 1 201 . 1 1 25 25 ASN HD22 H 1 6.899 0.030 . 2 . . . . 25 ASN HD22 . 10191 1 202 . 1 1 26 26 SER CA C 13 61.136 0.300 . 1 . . . . 26 SER CA . 10191 1 203 . 1 1 26 26 SER HA H 1 3.884 0.030 . 1 . . . . 26 SER HA . 10191 1 204 . 1 1 26 26 SER CB C 13 61.259 0.300 . 1 . . . . 26 SER CB . 10191 1 205 . 1 1 26 26 SER HB2 H 1 3.808 0.030 . 1 . . . . 26 SER HB2 . 10191 1 206 . 1 1 26 26 SER HB3 H 1 3.808 0.030 . 1 . . . . 26 SER HB3 . 10191 1 207 . 1 1 26 26 SER C C 13 176.598 0.300 . 1 . . . . 26 SER C . 10191 1 208 . 1 1 27 27 GLN N N 15 119.387 0.300 . 1 . . . . 27 GLN N . 10191 1 209 . 1 1 27 27 GLN H H 1 6.763 0.030 . 1 . . . . 27 GLN H . 10191 1 210 . 1 1 27 27 GLN CA C 13 57.426 0.300 . 1 . . . . 27 GLN CA . 10191 1 211 . 1 1 27 27 GLN HA H 1 3.946 0.030 . 1 . . . . 27 GLN HA . 10191 1 212 . 1 1 27 27 GLN CB C 13 28.943 0.300 . 1 . . . . 27 GLN CB . 10191 1 213 . 1 1 27 27 GLN HB2 H 1 2.563 0.030 . 2 . . . . 27 GLN HB2 . 10191 1 214 . 1 1 27 27 GLN HB3 H 1 1.972 0.030 . 2 . . . . 27 GLN HB3 . 10191 1 215 . 1 1 27 27 GLN CG C 13 34.363 0.300 . 1 . . . . 27 GLN CG . 10191 1 216 . 1 1 27 27 GLN HG2 H 1 2.524 0.030 . 2 . . . . 27 GLN HG2 . 10191 1 217 . 1 1 27 27 GLN HG3 H 1 2.393 0.030 . 2 . . . . 27 GLN HG3 . 10191 1 218 . 1 1 27 27 GLN NE2 N 15 111.572 0.300 . 1 . . . . 27 GLN NE2 . 10191 1 219 . 1 1 27 27 GLN HE21 H 1 7.641 0.030 . 2 . . . . 27 GLN HE21 . 10191 1 220 . 1 1 27 27 GLN HE22 H 1 7.177 0.030 . 2 . . . . 27 GLN HE22 . 10191 1 221 . 1 1 27 27 GLN C C 13 178.638 0.300 . 1 . . . . 27 GLN C . 10191 1 222 . 1 1 28 28 LEU N N 15 122.438 0.300 . 1 . . . . 28 LEU N . 10191 1 223 . 1 1 28 28 LEU H H 1 6.991 0.030 . 1 . . . . 28 LEU H . 10191 1 224 . 1 1 28 28 LEU CA C 13 57.746 0.300 . 1 . . . . 28 LEU CA . 10191 1 225 . 1 1 28 28 LEU HA H 1 3.313 0.030 . 1 . . . . 28 LEU HA . 10191 1 226 . 1 1 28 28 LEU CB C 13 40.505 0.300 . 1 . . . . 28 LEU CB . 10191 1 227 . 1 1 28 28 LEU HB2 H 1 1.242 0.030 . 2 . . . . 28 LEU HB2 . 10191 1 228 . 1 1 28 28 LEU HB3 H 1 2.167 0.030 . 2 . . . . 28 LEU HB3 . 10191 1 229 . 1 1 28 28 LEU CG C 13 27.443 0.300 . 1 . . . . 28 LEU CG . 10191 1 230 . 1 1 28 28 LEU HG H 1 1.499 0.030 . 1 . . . . 28 LEU HG . 10191 1 231 . 1 1 28 28 LEU CD1 C 13 22.967 0.300 . 2 . . . . 28 LEU CD1 . 10191 1 232 . 1 1 28 28 LEU HD11 H 1 1.025 0.030 . 1 . . . . 28 LEU HD1 . 10191 1 233 . 1 1 28 28 LEU HD12 H 1 1.025 0.030 . 1 . . . . 28 LEU HD1 . 10191 1 234 . 1 1 28 28 LEU HD13 H 1 1.025 0.030 . 1 . . . . 28 LEU HD1 . 10191 1 235 . 1 1 28 28 LEU CD2 C 13 26.398 0.300 . 2 . . . . 28 LEU CD2 . 10191 1 236 . 1 1 28 28 LEU HD21 H 1 0.984 0.030 . 1 . . . . 28 LEU HD2 . 10191 1 237 . 1 1 28 28 LEU HD22 H 1 0.984 0.030 . 1 . . . . 28 LEU HD2 . 10191 1 238 . 1 1 28 28 LEU HD23 H 1 0.984 0.030 . 1 . . . . 28 LEU HD2 . 10191 1 239 . 1 1 28 28 LEU C C 13 177.395 0.300 . 1 . . . . 28 LEU C . 10191 1 240 . 1 1 29 29 ILE N N 15 118.379 0.300 . 1 . . . . 29 ILE N . 10191 1 241 . 1 1 29 29 ILE H H 1 7.976 0.030 . 1 . . . . 29 ILE H . 10191 1 242 . 1 1 29 29 ILE CA C 13 64.459 0.300 . 1 . . . . 29 ILE CA . 10191 1 243 . 1 1 29 29 ILE HA H 1 3.726 0.030 . 1 . . . . 29 ILE HA . 10191 1 244 . 1 1 29 29 ILE CB C 13 37.373 0.300 . 1 . . . . 29 ILE CB . 10191 1 245 . 1 1 29 29 ILE HB H 1 1.782 0.030 . 1 . . . . 29 ILE HB . 10191 1 246 . 1 1 29 29 ILE CG1 C 13 28.319 0.300 . 1 . . . . 29 ILE CG1 . 10191 1 247 . 1 1 29 29 ILE HG12 H 1 1.450 0.030 . 2 . . . . 29 ILE HG12 . 10191 1 248 . 1 1 29 29 ILE HG13 H 1 1.215 0.030 . 2 . . . . 29 ILE HG13 . 10191 1 249 . 1 1 29 29 ILE CG2 C 13 17.234 0.300 . 1 . . . . 29 ILE CG2 . 10191 1 250 . 1 1 29 29 ILE HG21 H 1 0.824 0.030 . 1 . . . . 29 ILE HG2 . 10191 1 251 . 1 1 29 29 ILE HG22 H 1 0.824 0.030 . 1 . . . . 29 ILE HG2 . 10191 1 252 . 1 1 29 29 ILE HG23 H 1 0.824 0.030 . 1 . . . . 29 ILE HG2 . 10191 1 253 . 1 1 29 29 ILE CD1 C 13 12.345 0.300 . 1 . . . . 29 ILE CD1 . 10191 1 254 . 1 1 29 29 ILE HD11 H 1 0.734 0.030 . 1 . . . . 29 ILE HD1 . 10191 1 255 . 1 1 29 29 ILE HD12 H 1 0.734 0.030 . 1 . . . . 29 ILE HD1 . 10191 1 256 . 1 1 29 29 ILE HD13 H 1 0.734 0.030 . 1 . . . . 29 ILE HD1 . 10191 1 257 . 1 1 29 29 ILE C C 13 178.970 0.300 . 1 . . . . 29 ILE C . 10191 1 258 . 1 1 30 30 VAL N N 15 118.496 0.300 . 1 . . . . 30 VAL N . 10191 1 259 . 1 1 30 30 VAL H H 1 7.047 0.030 . 1 . . . . 30 VAL H . 10191 1 260 . 1 1 30 30 VAL CA C 13 66.457 0.300 . 1 . . . . 30 VAL CA . 10191 1 261 . 1 1 30 30 VAL HA H 1 3.491 0.030 . 1 . . . . 30 VAL HA . 10191 1 262 . 1 1 30 30 VAL CB C 13 32.038 0.300 . 1 . . . . 30 VAL CB . 10191 1 263 . 1 1 30 30 VAL HB H 1 1.876 0.030 . 1 . . . . 30 VAL HB . 10191 1 264 . 1 1 30 30 VAL CG1 C 13 22.647 0.300 . 2 . . . . 30 VAL CG1 . 10191 1 265 . 1 1 30 30 VAL HG11 H 1 1.000 0.030 . 1 . . . . 30 VAL HG1 . 10191 1 266 . 1 1 30 30 VAL HG12 H 1 1.000 0.030 . 1 . . . . 30 VAL HG1 . 10191 1 267 . 1 1 30 30 VAL HG13 H 1 1.000 0.030 . 1 . . . . 30 VAL HG1 . 10191 1 268 . 1 1 30 30 VAL CG2 C 13 21.082 0.300 . 2 . . . . 30 VAL CG2 . 10191 1 269 . 1 1 30 30 VAL HG21 H 1 0.882 0.030 . 1 . . . . 30 VAL HG2 . 10191 1 270 . 1 1 30 30 VAL HG22 H 1 0.882 0.030 . 1 . . . . 30 VAL HG2 . 10191 1 271 . 1 1 30 30 VAL HG23 H 1 0.882 0.030 . 1 . . . . 30 VAL HG2 . 10191 1 272 . 1 1 30 30 VAL C C 13 178.763 0.300 . 1 . . . . 30 VAL C . 10191 1 273 . 1 1 31 31 HIS N N 15 119.928 0.300 . 1 . . . . 31 HIS N . 10191 1 274 . 1 1 31 31 HIS H H 1 7.577 0.030 . 1 . . . . 31 HIS H . 10191 1 275 . 1 1 31 31 HIS CA C 13 59.301 0.300 . 1 . . . . 31 HIS CA . 10191 1 276 . 1 1 31 31 HIS HA H 1 4.113 0.030 . 1 . . . . 31 HIS HA . 10191 1 277 . 1 1 31 31 HIS CB C 13 28.544 0.300 . 1 . . . . 31 HIS CB . 10191 1 278 . 1 1 31 31 HIS HB2 H 1 2.768 0.030 . 2 . . . . 31 HIS HB2 . 10191 1 279 . 1 1 31 31 HIS HB3 H 1 3.085 0.030 . 2 . . . . 31 HIS HB3 . 10191 1 280 . 1 1 31 31 HIS CD2 C 13 127.163 0.300 . 1 . . . . 31 HIS CD2 . 10191 1 281 . 1 1 31 31 HIS HD2 H 1 6.928 0.030 . 1 . . . . 31 HIS HD2 . 10191 1 282 . 1 1 31 31 HIS CE1 C 13 139.642 0.300 . 1 . . . . 31 HIS CE1 . 10191 1 283 . 1 1 31 31 HIS HE1 H 1 8.016 0.030 . 1 . . . . 31 HIS HE1 . 10191 1 284 . 1 1 31 31 HIS C C 13 176.226 0.300 . 1 . . . . 31 HIS C . 10191 1 285 . 1 1 32 32 GLN N N 15 114.793 0.300 . 1 . . . . 32 GLN N . 10191 1 286 . 1 1 32 32 GLN H H 1 8.456 0.030 . 1 . . . . 32 GLN H . 10191 1 287 . 1 1 32 32 GLN CA C 13 59.269 0.300 . 1 . . . . 32 GLN CA . 10191 1 288 . 1 1 32 32 GLN HA H 1 3.645 0.030 . 1 . . . . 32 GLN HA . 10191 1 289 . 1 1 32 32 GLN CB C 13 28.282 0.300 . 1 . . . . 32 GLN CB . 10191 1 290 . 1 1 32 32 GLN HB2 H 1 2.297 0.030 . 2 . . . . 32 GLN HB2 . 10191 1 291 . 1 1 32 32 GLN HB3 H 1 2.190 0.030 . 2 . . . . 32 GLN HB3 . 10191 1 292 . 1 1 32 32 GLN CG C 13 35.496 0.300 . 1 . . . . 32 GLN CG . 10191 1 293 . 1 1 32 32 GLN HG2 H 1 2.834 0.030 . 2 . . . . 32 GLN HG2 . 10191 1 294 . 1 1 32 32 GLN HG3 H 1 2.797 0.030 . 2 . . . . 32 GLN HG3 . 10191 1 295 . 1 1 32 32 GLN NE2 N 15 111.685 0.300 . 1 . . . . 32 GLN NE2 . 10191 1 296 . 1 1 32 32 GLN HE21 H 1 6.946 0.030 . 2 . . . . 32 GLN HE21 . 10191 1 297 . 1 1 32 32 GLN HE22 H 1 7.573 0.030 . 2 . . . . 32 GLN HE22 . 10191 1 298 . 1 1 32 32 GLN C C 13 177.376 0.300 . 1 . . . . 32 GLN C . 10191 1 299 . 1 1 33 33 ARG N N 15 117.873 0.300 . 1 . . . . 33 ARG N . 10191 1 300 . 1 1 33 33 ARG H H 1 7.186 0.030 . 1 . . . . 33 ARG H . 10191 1 301 . 1 1 33 33 ARG CA C 13 58.401 0.300 . 1 . . . . 33 ARG CA . 10191 1 302 . 1 1 33 33 ARG HA H 1 4.125 0.030 . 1 . . . . 33 ARG HA . 10191 1 303 . 1 1 33 33 ARG CB C 13 30.016 0.300 . 1 . . . . 33 ARG CB . 10191 1 304 . 1 1 33 33 ARG HB2 H 1 1.869 0.030 . 2 . . . . 33 ARG HB2 . 10191 1 305 . 1 1 33 33 ARG HB3 H 1 1.756 0.030 . 2 . . . . 33 ARG HB3 . 10191 1 306 . 1 1 33 33 ARG CG C 13 27.746 0.300 . 1 . . . . 33 ARG CG . 10191 1 307 . 1 1 33 33 ARG HG2 H 1 1.867 0.030 . 2 . . . . 33 ARG HG2 . 10191 1 308 . 1 1 33 33 ARG HG3 H 1 1.632 0.030 . 2 . . . . 33 ARG HG3 . 10191 1 309 . 1 1 33 33 ARG CD C 13 43.761 0.300 . 1 . . . . 33 ARG CD . 10191 1 310 . 1 1 33 33 ARG HD2 H 1 3.164 0.030 . 1 . . . . 33 ARG HD2 . 10191 1 311 . 1 1 33 33 ARG HD3 H 1 3.164 0.030 . 1 . . . . 33 ARG HD3 . 10191 1 312 . 1 1 33 33 ARG C C 13 178.684 0.300 . 1 . . . . 33 ARG C . 10191 1 313 . 1 1 34 34 ILE N N 15 116.164 0.300 . 1 . . . . 34 ILE N . 10191 1 314 . 1 1 34 34 ILE H H 1 7.837 0.030 . 1 . . . . 34 ILE H . 10191 1 315 . 1 1 34 34 ILE CA C 13 63.143 0.300 . 1 . . . . 34 ILE CA . 10191 1 316 . 1 1 34 34 ILE HA H 1 3.937 0.030 . 1 . . . . 34 ILE HA . 10191 1 317 . 1 1 34 34 ILE CB C 13 37.689 0.300 . 1 . . . . 34 ILE CB . 10191 1 318 . 1 1 34 34 ILE HB H 1 1.618 0.030 . 1 . . . . 34 ILE HB . 10191 1 319 . 1 1 34 34 ILE CG1 C 13 26.618 0.300 . 1 . . . . 34 ILE CG1 . 10191 1 320 . 1 1 34 34 ILE HG12 H 1 0.876 0.030 . 2 . . . . 34 ILE HG12 . 10191 1 321 . 1 1 34 34 ILE HG13 H 1 0.698 0.030 . 2 . . . . 34 ILE HG13 . 10191 1 322 . 1 1 34 34 ILE CG2 C 13 16.349 0.300 . 1 . . . . 34 ILE CG2 . 10191 1 323 . 1 1 34 34 ILE HG21 H 1 0.540 0.030 . 1 . . . . 34 ILE HG2 . 10191 1 324 . 1 1 34 34 ILE HG22 H 1 0.540 0.030 . 1 . . . . 34 ILE HG2 . 10191 1 325 . 1 1 34 34 ILE HG23 H 1 0.540 0.030 . 1 . . . . 34 ILE HG2 . 10191 1 326 . 1 1 34 34 ILE CD1 C 13 14.408 0.300 . 1 . . . . 34 ILE CD1 . 10191 1 327 . 1 1 34 34 ILE HD11 H 1 0.672 0.030 . 1 . . . . 34 ILE HD1 . 10191 1 328 . 1 1 34 34 ILE HD12 H 1 0.672 0.030 . 1 . . . . 34 ILE HD1 . 10191 1 329 . 1 1 34 34 ILE HD13 H 1 0.672 0.030 . 1 . . . . 34 ILE HD1 . 10191 1 330 . 1 1 34 34 ILE C C 13 177.369 0.300 . 1 . . . . 34 ILE C . 10191 1 331 . 1 1 35 35 HIS N N 15 117.537 0.300 . 1 . . . . 35 HIS N . 10191 1 332 . 1 1 35 35 HIS H H 1 7.184 0.030 . 1 . . . . 35 HIS H . 10191 1 333 . 1 1 35 35 HIS CA C 13 55.178 0.300 . 1 . . . . 35 HIS CA . 10191 1 334 . 1 1 35 35 HIS HA H 1 4.842 0.030 . 1 . . . . 35 HIS HA . 10191 1 335 . 1 1 35 35 HIS CB C 13 28.550 0.300 . 1 . . . . 35 HIS CB . 10191 1 336 . 1 1 35 35 HIS HB2 H 1 3.338 0.030 . 2 . . . . 35 HIS HB2 . 10191 1 337 . 1 1 35 35 HIS HB3 H 1 3.210 0.030 . 2 . . . . 35 HIS HB3 . 10191 1 338 . 1 1 35 35 HIS CD2 C 13 127.650 0.300 . 1 . . . . 35 HIS CD2 . 10191 1 339 . 1 1 35 35 HIS HD2 H 1 6.734 0.030 . 1 . . . . 35 HIS HD2 . 10191 1 340 . 1 1 35 35 HIS CE1 C 13 139.990 0.300 . 1 . . . . 35 HIS CE1 . 10191 1 341 . 1 1 35 35 HIS HE1 H 1 8.025 0.030 . 1 . . . . 35 HIS HE1 . 10191 1 342 . 1 1 35 35 HIS C C 13 175.800 0.300 . 1 . . . . 35 HIS C . 10191 1 343 . 1 1 36 36 THR N N 15 111.364 0.300 . 1 . . . . 36 THR N . 10191 1 344 . 1 1 36 36 THR H H 1 7.747 0.030 . 1 . . . . 36 THR H . 10191 1 345 . 1 1 36 36 THR CA C 13 62.359 0.300 . 1 . . . . 36 THR CA . 10191 1 346 . 1 1 36 36 THR HA H 1 4.337 0.030 . 1 . . . . 36 THR HA . 10191 1 347 . 1 1 36 36 THR CB C 13 69.835 0.300 . 1 . . . . 36 THR CB . 10191 1 348 . 1 1 36 36 THR HB H 1 4.303 0.030 . 1 . . . . 36 THR HB . 10191 1 349 . 1 1 36 36 THR CG2 C 13 21.588 0.300 . 1 . . . . 36 THR CG2 . 10191 1 350 . 1 1 36 36 THR HG21 H 1 1.214 0.030 . 1 . . . . 36 THR HG2 . 10191 1 351 . 1 1 36 36 THR HG22 H 1 1.214 0.030 . 1 . . . . 36 THR HG2 . 10191 1 352 . 1 1 36 36 THR HG23 H 1 1.214 0.030 . 1 . . . . 36 THR HG2 . 10191 1 353 . 1 1 36 36 THR C C 13 175.474 0.300 . 1 . . . . 36 THR C . 10191 1 354 . 1 1 37 37 GLY N N 15 110.552 0.300 . 1 . . . . 37 GLY N . 10191 1 355 . 1 1 37 37 GLY H H 1 8.181 0.030 . 1 . . . . 37 GLY H . 10191 1 356 . 1 1 37 37 GLY CA C 13 45.346 0.300 . 1 . . . . 37 GLY CA . 10191 1 357 . 1 1 37 37 GLY HA2 H 1 4.001 0.030 . 2 . . . . 37 GLY HA2 . 10191 1 358 . 1 1 37 37 GLY HA3 H 1 3.922 0.030 . 2 . . . . 37 GLY HA3 . 10191 1 359 . 1 1 37 37 GLY C C 13 174.041 0.300 . 1 . . . . 37 GLY C . 10191 1 360 . 1 1 38 38 GLU N N 15 120.135 0.300 . 1 . . . . 38 GLU N . 10191 1 361 . 1 1 38 38 GLU H H 1 8.080 0.030 . 1 . . . . 38 GLU H . 10191 1 362 . 1 1 38 38 GLU CA C 13 56.450 0.300 . 1 . . . . 38 GLU CA . 10191 1 363 . 1 1 38 38 GLU HA H 1 4.205 0.030 . 1 . . . . 38 GLU HA . 10191 1 364 . 1 1 38 38 GLU CB C 13 30.467 0.300 . 1 . . . . 38 GLU CB . 10191 1 365 . 1 1 38 38 GLU HB2 H 1 1.956 0.030 . 2 . . . . 38 GLU HB2 . 10191 1 366 . 1 1 38 38 GLU HB3 H 1 1.854 0.030 . 2 . . . . 38 GLU HB3 . 10191 1 367 . 1 1 38 38 GLU CG C 13 36.303 0.300 . 1 . . . . 38 GLU CG . 10191 1 368 . 1 1 38 38 GLU HG2 H 1 2.211 0.030 . 2 . . . . 38 GLU HG2 . 10191 1 369 . 1 1 38 38 GLU HG3 H 1 2.167 0.030 . 2 . . . . 38 GLU HG3 . 10191 1 370 . 1 1 38 38 GLU C C 13 175.932 0.300 . 1 . . . . 38 GLU C . 10191 1 371 . 1 1 39 39 ASN N N 15 120.503 0.300 . 1 . . . . 39 ASN N . 10191 1 372 . 1 1 39 39 ASN H H 1 8.511 0.030 . 1 . . . . 39 ASN H . 10191 1 373 . 1 1 39 39 ASN CA C 13 51.313 0.300 . 1 . . . . 39 ASN CA . 10191 1 374 . 1 1 39 39 ASN HA H 1 4.931 0.030 . 1 . . . . 39 ASN HA . 10191 1 375 . 1 1 39 39 ASN CB C 13 38.883 0.300 . 1 . . . . 39 ASN CB . 10191 1 376 . 1 1 39 39 ASN HB2 H 1 2.636 0.030 . 2 . . . . 39 ASN HB2 . 10191 1 377 . 1 1 39 39 ASN HB3 H 1 2.777 0.030 . 2 . . . . 39 ASN HB3 . 10191 1 378 . 1 1 39 39 ASN ND2 N 15 113.222 0.300 . 1 . . . . 39 ASN ND2 . 10191 1 379 . 1 1 39 39 ASN HD21 H 1 6.916 0.030 . 2 . . . . 39 ASN HD21 . 10191 1 380 . 1 1 39 39 ASN HD22 H 1 7.589 0.030 . 2 . . . . 39 ASN HD22 . 10191 1 381 . 1 1 39 39 ASN C C 13 173.367 0.300 . 1 . . . . 39 ASN C . 10191 1 382 . 1 1 40 40 PRO CA C 13 63.564 0.300 . 1 . . . . 40 PRO CA . 10191 1 383 . 1 1 40 40 PRO HA H 1 4.419 0.030 . 1 . . . . 40 PRO HA . 10191 1 384 . 1 1 40 40 PRO CB C 13 32.140 0.300 . 1 . . . . 40 PRO CB . 10191 1 385 . 1 1 40 40 PRO HB2 H 1 1.957 0.030 . 2 . . . . 40 PRO HB2 . 10191 1 386 . 1 1 40 40 PRO HB3 H 1 2.253 0.030 . 2 . . . . 40 PRO HB3 . 10191 1 387 . 1 1 40 40 PRO CG C 13 27.381 0.300 . 1 . . . . 40 PRO CG . 10191 1 388 . 1 1 40 40 PRO CD C 13 50.706 0.300 . 1 . . . . 40 PRO CD . 10191 1 389 . 1 1 40 40 PRO HD2 H 1 3.717 0.030 . 1 . . . . 40 PRO HD2 . 10191 1 390 . 1 1 40 40 PRO HD3 H 1 3.717 0.030 . 1 . . . . 40 PRO HD3 . 10191 1 391 . 1 1 40 40 PRO C C 13 177.061 0.300 . 1 . . . . 40 PRO C . 10191 1 392 . 1 1 41 41 SER N N 15 115.581 0.300 . 1 . . . . 41 SER N . 10191 1 393 . 1 1 41 41 SER H H 1 8.354 0.030 . 1 . . . . 41 SER H . 10191 1 394 . 1 1 41 41 SER CA C 13 58.463 0.300 . 1 . . . . 41 SER CA . 10191 1 395 . 1 1 41 41 SER HA H 1 4.442 0.030 . 1 . . . . 41 SER HA . 10191 1 396 . 1 1 41 41 SER CB C 13 63.856 0.300 . 1 . . . . 41 SER CB . 10191 1 397 . 1 1 41 41 SER HB2 H 1 3.864 0.030 . 1 . . . . 41 SER HB2 . 10191 1 398 . 1 1 41 41 SER HB3 H 1 3.864 0.030 . 1 . . . . 41 SER HB3 . 10191 1 399 . 1 1 41 41 SER C C 13 174.582 0.300 . 1 . . . . 41 SER C . 10191 1 400 . 1 1 42 42 GLY N N 15 110.438 0.300 . 1 . . . . 42 GLY N . 10191 1 401 . 1 1 42 42 GLY H H 1 8.097 0.030 . 1 . . . . 42 GLY H . 10191 1 402 . 1 1 42 42 GLY CA C 13 44.649 0.300 . 1 . . . . 42 GLY CA . 10191 1 403 . 1 1 42 42 GLY HA2 H 1 4.121 0.030 . 2 . . . . 42 GLY HA2 . 10191 1 404 . 1 1 42 42 GLY HA3 H 1 4.072 0.030 . 2 . . . . 42 GLY HA3 . 10191 1 405 . 1 1 42 42 GLY C C 13 171.675 0.300 . 1 . . . . 42 GLY C . 10191 1 406 . 1 1 43 43 PRO CA C 13 63.436 0.300 . 1 . . . . 43 PRO CA . 10191 1 407 . 1 1 43 43 PRO HA H 1 4.421 0.030 . 1 . . . . 43 PRO HA . 10191 1 408 . 1 1 43 43 PRO CB C 13 32.168 0.300 . 1 . . . . 43 PRO CB . 10191 1 409 . 1 1 43 43 PRO HB2 H 1 2.254 0.030 . 1 . . . . 43 PRO HB2 . 10191 1 410 . 1 1 43 43 PRO HB3 H 1 2.254 0.030 . 1 . . . . 43 PRO HB3 . 10191 1 411 . 1 1 43 43 PRO CG C 13 27.172 0.300 . 1 . . . . 43 PRO CG . 10191 1 412 . 1 1 43 43 PRO HG2 H 1 1.977 0.030 . 1 . . . . 43 PRO HG2 . 10191 1 413 . 1 1 43 43 PRO HG3 H 1 1.977 0.030 . 1 . . . . 43 PRO HG3 . 10191 1 414 . 1 1 43 43 PRO CD C 13 49.759 0.300 . 1 . . . . 43 PRO CD . 10191 1 415 . 1 1 43 43 PRO HD2 H 1 3.595 0.030 . 1 . . . . 43 PRO HD2 . 10191 1 416 . 1 1 43 43 PRO HD3 H 1 3.595 0.030 . 1 . . . . 43 PRO HD3 . 10191 1 417 . 1 1 43 43 PRO C C 13 177.358 0.300 . 1 . . . . 43 PRO C . 10191 1 418 . 1 1 44 44 SER N N 15 116.459 0.300 . 1 . . . . 44 SER N . 10191 1 419 . 1 1 44 44 SER H H 1 8.513 0.030 . 1 . . . . 44 SER H . 10191 1 420 . 1 1 44 44 SER CA C 13 58.367 0.300 . 1 . . . . 44 SER CA . 10191 1 421 . 1 1 44 44 SER HA H 1 4.465 0.030 . 1 . . . . 44 SER HA . 10191 1 422 . 1 1 44 44 SER CB C 13 63.692 0.300 . 1 . . . . 44 SER CB . 10191 1 423 . 1 1 44 44 SER HB2 H 1 3.869 0.030 . 1 . . . . 44 SER HB2 . 10191 1 424 . 1 1 44 44 SER HB3 H 1 3.869 0.030 . 1 . . . . 44 SER HB3 . 10191 1 425 . 1 1 44 44 SER C C 13 174.649 0.300 . 1 . . . . 44 SER C . 10191 1 426 . 1 1 45 45 SER N N 15 117.890 0.300 . 1 . . . . 45 SER N . 10191 1 427 . 1 1 45 45 SER H H 1 8.318 0.030 . 1 . . . . 45 SER H . 10191 1 428 . 1 1 45 45 SER C C 13 173.888 0.300 . 1 . . . . 45 SER C . 10191 1 stop_ save_