################################### # 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 10228 _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 10228 1 2 '3D 15N-separated NOESY' 1 $sample_1 isotropic 10228 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 SER HA H 1 4.438 0.030 . 1 . . . . 8 SER HA . 10228 1 2 . 1 1 8 8 SER HB2 H 1 3.860 0.030 . 1 . . . . 8 SER HB2 . 10228 1 3 . 1 1 8 8 SER HB3 H 1 3.860 0.030 . 1 . . . . 8 SER HB3 . 10228 1 4 . 1 1 8 8 SER CA C 13 58.600 0.300 . 1 . . . . 8 SER CA . 10228 1 5 . 1 1 8 8 SER CB C 13 63.792 0.300 . 1 . . . . 8 SER CB . 10228 1 6 . 1 1 9 9 GLY H H 1 8.454 0.030 . 1 . . . . 9 GLY H . 10228 1 7 . 1 1 9 9 GLY HA2 H 1 3.938 0.030 . 1 . . . . 9 GLY HA2 . 10228 1 8 . 1 1 9 9 GLY HA3 H 1 3.938 0.030 . 1 . . . . 9 GLY HA3 . 10228 1 9 . 1 1 9 9 GLY CA C 13 45.227 0.300 . 1 . . . . 9 GLY CA . 10228 1 10 . 1 1 9 9 GLY N N 15 110.842 0.300 . 1 . . . . 9 GLY N . 10228 1 11 . 1 1 10 10 GLU H H 1 8.211 0.030 . 1 . . . . 10 GLU H . 10228 1 12 . 1 1 10 10 GLU HA H 1 4.206 0.030 . 1 . . . . 10 GLU HA . 10228 1 13 . 1 1 10 10 GLU HB2 H 1 1.975 0.030 . 2 . . . . 10 GLU HB2 . 10228 1 14 . 1 1 10 10 GLU HB3 H 1 1.889 0.030 . 2 . . . . 10 GLU HB3 . 10228 1 15 . 1 1 10 10 GLU HG2 H 1 2.249 0.030 . 2 . . . . 10 GLU HG2 . 10228 1 16 . 1 1 10 10 GLU HG3 H 1 2.195 0.030 . 2 . . . . 10 GLU HG3 . 10228 1 17 . 1 1 10 10 GLU CA C 13 56.709 0.300 . 1 . . . . 10 GLU CA . 10228 1 18 . 1 1 10 10 GLU CB C 13 30.317 0.300 . 1 . . . . 10 GLU CB . 10228 1 19 . 1 1 10 10 GLU CG C 13 36.263 0.300 . 1 . . . . 10 GLU CG . 10228 1 20 . 1 1 10 10 GLU N N 15 120.029 0.300 . 1 . . . . 10 GLU N . 10228 1 21 . 1 1 11 11 ARG HA H 1 4.425 0.030 . 1 . . . . 11 ARG HA . 10228 1 22 . 1 1 11 11 ARG HB2 H 1 1.546 0.030 . 2 . . . . 11 ARG HB2 . 10228 1 23 . 1 1 11 11 ARG HB3 H 1 1.411 0.030 . 2 . . . . 11 ARG HB3 . 10228 1 24 . 1 1 11 11 ARG HD2 H 1 3.022 0.030 . 2 . . . . 11 ARG HD2 . 10228 1 25 . 1 1 11 11 ARG HD3 H 1 2.928 0.030 . 2 . . . . 11 ARG HD3 . 10228 1 26 . 1 1 11 11 ARG HG2 H 1 1.485 0.030 . 2 . . . . 11 ARG HG2 . 10228 1 27 . 1 1 11 11 ARG HG3 H 1 1.351 0.030 . 2 . . . . 11 ARG HG3 . 10228 1 28 . 1 1 11 11 ARG CA C 13 53.417 0.300 . 1 . . . . 11 ARG CA . 10228 1 29 . 1 1 11 11 ARG CB C 13 29.953 0.300 . 1 . . . . 11 ARG CB . 10228 1 30 . 1 1 11 11 ARG CD C 13 43.356 0.300 . 1 . . . . 11 ARG CD . 10228 1 31 . 1 1 11 11 ARG CG C 13 27.033 0.300 . 1 . . . . 11 ARG CG . 10228 1 32 . 1 1 11 11 ARG N N 15 117.766 0.300 . 1 . . . . 11 ARG N . 10228 1 33 . 1 1 12 12 PRO HA H 1 4.203 0.030 . 1 . . . . 12 PRO HA . 10228 1 34 . 1 1 12 12 PRO HB2 H 1 1.967 0.030 . 2 . . . . 12 PRO HB2 . 10228 1 35 . 1 1 12 12 PRO HB3 H 1 1.221 0.030 . 2 . . . . 12 PRO HB3 . 10228 1 36 . 1 1 12 12 PRO HD2 H 1 3.630 0.030 . 2 . . . . 12 PRO HD2 . 10228 1 37 . 1 1 12 12 PRO HD3 H 1 3.521 0.030 . 2 . . . . 12 PRO HD3 . 10228 1 38 . 1 1 12 12 PRO HG2 H 1 1.786 0.030 . 2 . . . . 12 PRO HG2 . 10228 1 39 . 1 1 12 12 PRO HG3 H 1 1.480 0.030 . 2 . . . . 12 PRO HG3 . 10228 1 40 . 1 1 12 12 PRO C C 13 176.483 0.300 . 1 . . . . 12 PRO C . 10228 1 41 . 1 1 12 12 PRO CA C 13 63.898 0.300 . 1 . . . . 12 PRO CA . 10228 1 42 . 1 1 12 12 PRO CB C 13 32.127 0.300 . 1 . . . . 12 PRO CB . 10228 1 43 . 1 1 12 12 PRO CD C 13 50.380 0.300 . 1 . . . . 12 PRO CD . 10228 1 44 . 1 1 12 12 PRO CG C 13 26.584 0.300 . 1 . . . . 12 PRO CG . 10228 1 45 . 1 1 13 13 PHE H H 1 7.791 0.030 . 1 . . . . 13 PHE H . 10228 1 46 . 1 1 13 13 PHE HA H 1 4.757 0.030 . 1 . . . . 13 PHE HA . 10228 1 47 . 1 1 13 13 PHE HB2 H 1 3.059 0.030 . 2 . . . . 13 PHE HB2 . 10228 1 48 . 1 1 13 13 PHE HB3 H 1 2.857 0.030 . 2 . . . . 13 PHE HB3 . 10228 1 49 . 1 1 13 13 PHE HD1 H 1 7.094 0.030 . 1 . . . . 13 PHE HD1 . 10228 1 50 . 1 1 13 13 PHE HD2 H 1 7.094 0.030 . 1 . . . . 13 PHE HD2 . 10228 1 51 . 1 1 13 13 PHE HE1 H 1 7.366 0.030 . 1 . . . . 13 PHE HE1 . 10228 1 52 . 1 1 13 13 PHE HE2 H 1 7.366 0.030 . 1 . . . . 13 PHE HE2 . 10228 1 53 . 1 1 13 13 PHE HZ H 1 7.358 0.030 . 1 . . . . 13 PHE HZ . 10228 1 54 . 1 1 13 13 PHE C C 13 174.511 0.300 . 1 . . . . 13 PHE C . 10228 1 55 . 1 1 13 13 PHE CA C 13 56.893 0.300 . 1 . . . . 13 PHE CA . 10228 1 56 . 1 1 13 13 PHE CB C 13 39.090 0.300 . 1 . . . . 13 PHE CB . 10228 1 57 . 1 1 13 13 PHE CD1 C 13 131.568 0.300 . 1 . . . . 13 PHE CD1 . 10228 1 58 . 1 1 13 13 PHE CD2 C 13 131.568 0.300 . 1 . . . . 13 PHE CD2 . 10228 1 59 . 1 1 13 13 PHE CE1 C 13 131.515 0.300 . 1 . . . . 13 PHE CE1 . 10228 1 60 . 1 1 13 13 PHE CE2 C 13 131.515 0.300 . 1 . . . . 13 PHE CE2 . 10228 1 61 . 1 1 13 13 PHE CZ C 13 130.152 0.300 . 1 . . . . 13 PHE CZ . 10228 1 62 . 1 1 13 13 PHE N N 15 118.173 0.300 . 1 . . . . 13 PHE N . 10228 1 63 . 1 1 14 14 LYS H H 1 8.611 0.030 . 1 . . . . 14 LYS H . 10228 1 64 . 1 1 14 14 LYS HA H 1 5.071 0.030 . 1 . . . . 14 LYS HA . 10228 1 65 . 1 1 14 14 LYS HB2 H 1 1.658 0.030 . 2 . . . . 14 LYS HB2 . 10228 1 66 . 1 1 14 14 LYS HB3 H 1 1.599 0.030 . 2 . . . . 14 LYS HB3 . 10228 1 67 . 1 1 14 14 LYS HD2 H 1 1.552 0.030 . 1 . . . . 14 LYS HD2 . 10228 1 68 . 1 1 14 14 LYS HD3 H 1 1.552 0.030 . 1 . . . . 14 LYS HD3 . 10228 1 69 . 1 1 14 14 LYS HE2 H 1 2.938 0.030 . 1 . . . . 14 LYS HE2 . 10228 1 70 . 1 1 14 14 LYS HE3 H 1 2.938 0.030 . 1 . . . . 14 LYS HE3 . 10228 1 71 . 1 1 14 14 LYS HG2 H 1 1.240 0.030 . 2 . . . . 14 LYS HG2 . 10228 1 72 . 1 1 14 14 LYS HG3 H 1 1.193 0.030 . 2 . . . . 14 LYS HG3 . 10228 1 73 . 1 1 14 14 LYS C C 13 175.322 0.300 . 1 . . . . 14 LYS C . 10228 1 74 . 1 1 14 14 LYS CA C 13 55.006 0.300 . 1 . . . . 14 LYS CA . 10228 1 75 . 1 1 14 14 LYS CB C 13 35.258 0.300 . 1 . . . . 14 LYS CB . 10228 1 76 . 1 1 14 14 LYS CD C 13 29.165 0.300 . 1 . . . . 14 LYS CD . 10228 1 77 . 1 1 14 14 LYS CE C 13 42.141 0.300 . 1 . . . . 14 LYS CE . 10228 1 78 . 1 1 14 14 LYS CG C 13 24.688 0.300 . 1 . . . . 14 LYS CG . 10228 1 79 . 1 1 14 14 LYS N N 15 124.455 0.300 . 1 . . . . 14 LYS N . 10228 1 80 . 1 1 15 15 CYS H H 1 9.115 0.030 . 1 . . . . 15 CYS H . 10228 1 81 . 1 1 15 15 CYS HA H 1 4.549 0.030 . 1 . . . . 15 CYS HA . 10228 1 82 . 1 1 15 15 CYS HB2 H 1 3.377 0.030 . 2 . . . . 15 CYS HB2 . 10228 1 83 . 1 1 15 15 CYS HB3 H 1 2.858 0.030 . 2 . . . . 15 CYS HB3 . 10228 1 84 . 1 1 15 15 CYS C C 13 177.457 0.300 . 1 . . . . 15 CYS C . 10228 1 85 . 1 1 15 15 CYS CA C 13 59.450 0.300 . 1 . . . . 15 CYS CA . 10228 1 86 . 1 1 15 15 CYS CB C 13 29.959 0.300 . 1 . . . . 15 CYS CB . 10228 1 87 . 1 1 15 15 CYS N N 15 125.796 0.300 . 1 . . . . 15 CYS N . 10228 1 88 . 1 1 16 16 ASN H H 1 9.439 0.030 . 1 . . . . 16 ASN H . 10228 1 89 . 1 1 16 16 ASN HA H 1 4.552 0.030 . 1 . . . . 16 ASN HA . 10228 1 90 . 1 1 16 16 ASN HB2 H 1 2.886 0.030 . 1 . . . . 16 ASN HB2 . 10228 1 91 . 1 1 16 16 ASN HB3 H 1 2.886 0.030 . 1 . . . . 16 ASN HB3 . 10228 1 92 . 1 1 16 16 ASN HD21 H 1 7.692 0.030 . 2 . . . . 16 ASN HD21 . 10228 1 93 . 1 1 16 16 ASN HD22 H 1 6.966 0.030 . 2 . . . . 16 ASN HD22 . 10228 1 94 . 1 1 16 16 ASN C C 13 175.327 0.300 . 1 . . . . 16 ASN C . 10228 1 95 . 1 1 16 16 ASN CA C 13 55.429 0.300 . 1 . . . . 16 ASN CA . 10228 1 96 . 1 1 16 16 ASN CB C 13 38.518 0.300 . 1 . . . . 16 ASN CB . 10228 1 97 . 1 1 16 16 ASN N N 15 130.041 0.300 . 1 . . . . 16 ASN N . 10228 1 98 . 1 1 16 16 ASN ND2 N 15 113.352 0.300 . 1 . . . . 16 ASN ND2 . 10228 1 99 . 1 1 17 17 GLU H H 1 9.013 0.030 . 1 . . . . 17 GLU H . 10228 1 100 . 1 1 17 17 GLU HA H 1 4.244 0.030 . 1 . . . . 17 GLU HA . 10228 1 101 . 1 1 17 17 GLU HB2 H 1 1.422 0.030 . 2 . . . . 17 GLU HB2 . 10228 1 102 . 1 1 17 17 GLU HB3 H 1 1.366 0.030 . 2 . . . . 17 GLU HB3 . 10228 1 103 . 1 1 17 17 GLU HG2 H 1 1.891 0.030 . 2 . . . . 17 GLU HG2 . 10228 1 104 . 1 1 17 17 GLU HG3 H 1 1.792 0.030 . 2 . . . . 17 GLU HG3 . 10228 1 105 . 1 1 17 17 GLU C C 13 177.345 0.300 . 1 . . . . 17 GLU C . 10228 1 106 . 1 1 17 17 GLU CA C 13 58.195 0.300 . 1 . . . . 17 GLU CA . 10228 1 107 . 1 1 17 17 GLU CB C 13 29.394 0.300 . 1 . . . . 17 GLU CB . 10228 1 108 . 1 1 17 17 GLU CG C 13 35.340 0.300 . 1 . . . . 17 GLU CG . 10228 1 109 . 1 1 17 17 GLU N N 15 121.584 0.300 . 1 . . . . 17 GLU N . 10228 1 110 . 1 1 18 18 CYS H H 1 8.410 0.030 . 1 . . . . 18 CYS H . 10228 1 111 . 1 1 18 18 CYS HA H 1 5.193 0.030 . 1 . . . . 18 CYS HA . 10228 1 112 . 1 1 18 18 CYS HB2 H 1 3.449 0.030 . 2 . . . . 18 CYS HB2 . 10228 1 113 . 1 1 18 18 CYS HB3 H 1 2.879 0.030 . 2 . . . . 18 CYS HB3 . 10228 1 114 . 1 1 18 18 CYS C C 13 176.413 0.300 . 1 . . . . 18 CYS C . 10228 1 115 . 1 1 18 18 CYS CA C 13 58.391 0.300 . 1 . . . . 18 CYS CA . 10228 1 116 . 1 1 18 18 CYS CB C 13 32.346 0.300 . 1 . . . . 18 CYS CB . 10228 1 117 . 1 1 18 18 CYS N N 15 116.182 0.300 . 1 . . . . 18 CYS N . 10228 1 118 . 1 1 19 19 GLY H H 1 8.045 0.030 . 1 . . . . 19 GLY H . 10228 1 119 . 1 1 19 19 GLY HA2 H 1 4.260 0.030 . 2 . . . . 19 GLY HA2 . 10228 1 120 . 1 1 19 19 GLY HA3 H 1 3.829 0.030 . 2 . . . . 19 GLY HA3 . 10228 1 121 . 1 1 19 19 GLY C C 13 173.661 0.300 . 1 . . . . 19 GLY C . 10228 1 122 . 1 1 19 19 GLY CA C 13 46.298 0.300 . 1 . . . . 19 GLY CA . 10228 1 123 . 1 1 19 19 GLY N N 15 113.361 0.300 . 1 . . . . 19 GLY N . 10228 1 124 . 1 1 20 20 LYS H H 1 7.930 0.030 . 1 . . . . 20 LYS H . 10228 1 125 . 1 1 20 20 LYS HA H 1 3.967 0.030 . 1 . . . . 20 LYS HA . 10228 1 126 . 1 1 20 20 LYS HB2 H 1 1.254 0.030 . 2 . . . . 20 LYS HB2 . 10228 1 127 . 1 1 20 20 LYS HB3 H 1 1.499 0.030 . 2 . . . . 20 LYS HB3 . 10228 1 128 . 1 1 20 20 LYS HD2 H 1 1.547 0.030 . 2 . . . . 20 LYS HD2 . 10228 1 129 . 1 1 20 20 LYS HD3 H 1 1.454 0.030 . 2 . . . . 20 LYS HD3 . 10228 1 130 . 1 1 20 20 LYS HE2 H 1 2.973 0.030 . 2 . . . . 20 LYS HE2 . 10228 1 131 . 1 1 20 20 LYS HE3 H 1 2.906 0.030 . 2 . . . . 20 LYS HE3 . 10228 1 132 . 1 1 20 20 LYS HG2 H 1 1.412 0.030 . 2 . . . . 20 LYS HG2 . 10228 1 133 . 1 1 20 20 LYS HG3 H 1 1.053 0.030 . 2 . . . . 20 LYS HG3 . 10228 1 134 . 1 1 20 20 LYS C C 13 174.605 0.300 . 1 . . . . 20 LYS C . 10228 1 135 . 1 1 20 20 LYS CA C 13 58.241 0.300 . 1 . . . . 20 LYS CA . 10228 1 136 . 1 1 20 20 LYS CB C 13 33.836 0.300 . 1 . . . . 20 LYS CB . 10228 1 137 . 1 1 20 20 LYS CD C 13 29.405 0.300 . 1 . . . . 20 LYS CD . 10228 1 138 . 1 1 20 20 LYS CE C 13 42.168 0.300 . 1 . . . . 20 LYS CE . 10228 1 139 . 1 1 20 20 LYS CG C 13 26.125 0.300 . 1 . . . . 20 LYS CG . 10228 1 140 . 1 1 20 20 LYS N N 15 123.055 0.300 . 1 . . . . 20 LYS N . 10228 1 141 . 1 1 21 21 GLY H H 1 8.013 0.030 . 1 . . . . 21 GLY H . 10228 1 142 . 1 1 21 21 GLY HA2 H 1 4.880 0.030 . 2 . . . . 21 GLY HA2 . 10228 1 143 . 1 1 21 21 GLY HA3 H 1 3.336 0.030 . 2 . . . . 21 GLY HA3 . 10228 1 144 . 1 1 21 21 GLY CA C 13 44.008 0.300 . 1 . . . . 21 GLY CA . 10228 1 145 . 1 1 21 21 GLY N N 15 108.426 0.300 . 1 . . . . 21 GLY N . 10228 1 146 . 1 1 22 22 PHE H H 1 8.731 0.030 . 1 . . . . 22 PHE H . 10228 1 147 . 1 1 22 22 PHE HA H 1 4.731 0.030 . 1 . . . . 22 PHE HA . 10228 1 148 . 1 1 22 22 PHE HB2 H 1 3.468 0.030 . 2 . . . . 22 PHE HB2 . 10228 1 149 . 1 1 22 22 PHE HB3 H 1 2.814 0.030 . 2 . . . . 22 PHE HB3 . 10228 1 150 . 1 1 22 22 PHE HD1 H 1 7.283 0.030 . 1 . . . . 22 PHE HD1 . 10228 1 151 . 1 1 22 22 PHE HD2 H 1 7.283 0.030 . 1 . . . . 22 PHE HD2 . 10228 1 152 . 1 1 22 22 PHE HE1 H 1 6.826 0.030 . 1 . . . . 22 PHE HE1 . 10228 1 153 . 1 1 22 22 PHE HE2 H 1 6.826 0.030 . 1 . . . . 22 PHE HE2 . 10228 1 154 . 1 1 22 22 PHE HZ H 1 6.214 0.030 . 1 . . . . 22 PHE HZ . 10228 1 155 . 1 1 22 22 PHE CA C 13 57.510 0.300 . 1 . . . . 22 PHE CA . 10228 1 156 . 1 1 22 22 PHE CB C 13 44.105 0.300 . 1 . . . . 22 PHE CB . 10228 1 157 . 1 1 22 22 PHE CD1 C 13 132.340 0.300 . 1 . . . . 22 PHE CD1 . 10228 1 158 . 1 1 22 22 PHE CD2 C 13 132.340 0.300 . 1 . . . . 22 PHE CD2 . 10228 1 159 . 1 1 22 22 PHE CE1 C 13 130.761 0.300 . 1 . . . . 22 PHE CE1 . 10228 1 160 . 1 1 22 22 PHE CE2 C 13 130.761 0.300 . 1 . . . . 22 PHE CE2 . 10228 1 161 . 1 1 22 22 PHE CZ C 13 128.667 0.300 . 1 . . . . 22 PHE CZ . 10228 1 162 . 1 1 22 22 PHE N N 15 117.792 0.300 . 1 . . . . 22 PHE N . 10228 1 163 . 1 1 23 23 GLY HA2 H 1 4.454 0.030 . 2 . . . . 23 GLY HA2 . 10228 1 164 . 1 1 23 23 GLY HA3 H 1 4.094 0.030 . 2 . . . . 23 GLY HA3 . 10228 1 165 . 1 1 23 23 GLY CA C 13 45.710 0.300 . 1 . . . . 23 GLY CA . 10228 1 166 . 1 1 23 23 GLY N N 15 109.000 0.300 . 1 . . . . 23 GLY N . 10228 1 167 . 1 1 24 24 ARG H H 1 7.197 0.030 . 1 . . . . 24 ARG H . 10228 1 168 . 1 1 24 24 ARG HA H 1 4.743 0.030 . 1 . . . . 24 ARG HA . 10228 1 169 . 1 1 24 24 ARG HB2 H 1 1.707 0.030 . 2 . . . . 24 ARG HB2 . 10228 1 170 . 1 1 24 24 ARG HB3 H 1 0.892 0.030 . 2 . . . . 24 ARG HB3 . 10228 1 171 . 1 1 24 24 ARG HD2 H 1 3.006 0.030 . 2 . . . . 24 ARG HD2 . 10228 1 172 . 1 1 24 24 ARG HD3 H 1 2.896 0.030 . 2 . . . . 24 ARG HD3 . 10228 1 173 . 1 1 24 24 ARG HG2 H 1 1.456 0.030 . 1 . . . . 24 ARG HG2 . 10228 1 174 . 1 1 24 24 ARG HG3 H 1 1.456 0.030 . 1 . . . . 24 ARG HG3 . 10228 1 175 . 1 1 24 24 ARG CA C 13 53.655 0.300 . 1 . . . . 24 ARG CA . 10228 1 176 . 1 1 24 24 ARG CB C 13 33.460 0.300 . 1 . . . . 24 ARG CB . 10228 1 177 . 1 1 24 24 ARG CD C 13 43.183 0.300 . 1 . . . . 24 ARG CD . 10228 1 178 . 1 1 24 24 ARG CG C 13 26.772 0.300 . 1 . . . . 24 ARG CG . 10228 1 179 . 1 1 24 24 ARG N N 15 114.927 0.300 . 1 . . . . 24 ARG N . 10228 1 180 . 1 1 25 25 ARG HA H 1 2.980 0.030 . 1 . . . . 25 ARG HA . 10228 1 181 . 1 1 25 25 ARG HB2 H 1 1.453 0.030 . 2 . . . . 25 ARG HB2 . 10228 1 182 . 1 1 25 25 ARG HB3 H 1 1.259 0.030 . 2 . . . . 25 ARG HB3 . 10228 1 183 . 1 1 25 25 ARG HD2 H 1 3.056 0.030 . 2 . . . . 25 ARG HD2 . 10228 1 184 . 1 1 25 25 ARG HD3 H 1 3.016 0.030 . 2 . . . . 25 ARG HD3 . 10228 1 185 . 1 1 25 25 ARG HG2 H 1 1.132 0.030 . 1 . . . . 25 ARG HG2 . 10228 1 186 . 1 1 25 25 ARG HG3 H 1 1.132 0.030 . 1 . . . . 25 ARG HG3 . 10228 1 187 . 1 1 25 25 ARG CA C 13 59.693 0.300 . 1 . . . . 25 ARG CA . 10228 1 188 . 1 1 25 25 ARG CB C 13 29.253 0.300 . 1 . . . . 25 ARG CB . 10228 1 189 . 1 1 25 25 ARG CD C 13 43.009 0.300 . 1 . . . . 25 ARG CD . 10228 1 190 . 1 1 25 25 ARG CG C 13 27.386 0.300 . 1 . . . . 25 ARG CG . 10228 1 191 . 1 1 26 26 SER HA H 1 4.092 0.030 . 1 . . . . 26 SER HA . 10228 1 192 . 1 1 26 26 SER HB2 H 1 3.873 0.030 . 2 . . . . 26 SER HB2 . 10228 1 193 . 1 1 26 26 SER HB3 H 1 3.817 0.030 . 2 . . . . 26 SER HB3 . 10228 1 194 . 1 1 26 26 SER C C 13 177.471 0.300 . 1 . . . . 26 SER C . 10228 1 195 . 1 1 26 26 SER CA C 13 60.832 0.300 . 1 . . . . 26 SER CA . 10228 1 196 . 1 1 26 26 SER CB C 13 61.616 0.300 . 1 . . . . 26 SER CB . 10228 1 197 . 1 1 26 26 SER N N 15 120.568 0.300 . 1 . . . . 26 SER N . 10228 1 198 . 1 1 27 27 HIS H H 1 6.799 0.030 . 1 . . . . 27 HIS H . 10228 1 199 . 1 1 27 27 HIS HA H 1 4.556 0.030 . 1 . . . . 27 HIS HA . 10228 1 200 . 1 1 27 27 HIS HB2 H 1 3.360 0.030 . 2 . . . . 27 HIS HB2 . 10228 1 201 . 1 1 27 27 HIS HB3 H 1 3.272 0.030 . 2 . . . . 27 HIS HB3 . 10228 1 202 . 1 1 27 27 HIS HD2 H 1 6.972 0.030 . 1 . . . . 27 HIS HD2 . 10228 1 203 . 1 1 27 27 HIS HE1 H 1 7.833 0.030 . 1 . . . . 27 HIS HE1 . 10228 1 204 . 1 1 27 27 HIS C C 13 178.281 0.300 . 1 . . . . 27 HIS C . 10228 1 205 . 1 1 27 27 HIS CA C 13 56.589 0.300 . 1 . . . . 27 HIS CA . 10228 1 206 . 1 1 27 27 HIS CB C 13 31.722 0.300 . 1 . . . . 27 HIS CB . 10228 1 207 . 1 1 27 27 HIS CD2 C 13 116.737 0.300 . 1 . . . . 27 HIS CD2 . 10228 1 208 . 1 1 27 27 HIS CE1 C 13 139.045 0.300 . 1 . . . . 27 HIS CE1 . 10228 1 209 . 1 1 27 27 HIS N N 15 122.717 0.300 . 1 . . . . 27 HIS N . 10228 1 210 . 1 1 28 28 LEU H H 1 7.026 0.030 . 1 . . . . 28 LEU H . 10228 1 211 . 1 1 28 28 LEU HA H 1 3.249 0.030 . 1 . . . . 28 LEU HA . 10228 1 212 . 1 1 28 28 LEU HB2 H 1 1.904 0.030 . 2 . . . . 28 LEU HB2 . 10228 1 213 . 1 1 28 28 LEU HB3 H 1 1.273 0.030 . 2 . . . . 28 LEU HB3 . 10228 1 214 . 1 1 28 28 LEU HD11 H 1 1.015 0.030 . 1 . . . . 28 LEU HD1 . 10228 1 215 . 1 1 28 28 LEU HD12 H 1 1.015 0.030 . 1 . . . . 28 LEU HD1 . 10228 1 216 . 1 1 28 28 LEU HD13 H 1 1.015 0.030 . 1 . . . . 28 LEU HD1 . 10228 1 217 . 1 1 28 28 LEU HD21 H 1 1.006 0.030 . 1 . . . . 28 LEU HD2 . 10228 1 218 . 1 1 28 28 LEU HD22 H 1 1.006 0.030 . 1 . . . . 28 LEU HD2 . 10228 1 219 . 1 1 28 28 LEU HD23 H 1 1.006 0.030 . 1 . . . . 28 LEU HD2 . 10228 1 220 . 1 1 28 28 LEU HG H 1 1.576 0.030 . 1 . . . . 28 LEU HG . 10228 1 221 . 1 1 28 28 LEU C C 13 177.146 0.300 . 1 . . . . 28 LEU C . 10228 1 222 . 1 1 28 28 LEU CA C 13 57.742 0.300 . 1 . . . . 28 LEU CA . 10228 1 223 . 1 1 28 28 LEU CB C 13 40.422 0.300 . 1 . . . . 28 LEU CB . 10228 1 224 . 1 1 28 28 LEU CD1 C 13 26.512 0.300 . 2 . . . . 28 LEU CD1 . 10228 1 225 . 1 1 28 28 LEU CD2 C 13 22.504 0.300 . 2 . . . . 28 LEU CD2 . 10228 1 226 . 1 1 28 28 LEU CG C 13 27.293 0.300 . 1 . . . . 28 LEU CG . 10228 1 227 . 1 1 28 28 LEU N N 15 121.528 0.300 . 1 . . . . 28 LEU N . 10228 1 228 . 1 1 29 29 ALA H H 1 8.188 0.030 . 1 . . . . 29 ALA H . 10228 1 229 . 1 1 29 29 ALA HA H 1 3.979 0.030 . 1 . . . . 29 ALA HA . 10228 1 230 . 1 1 29 29 ALA HB1 H 1 1.396 0.030 . 1 . . . . 29 ALA HB . 10228 1 231 . 1 1 29 29 ALA HB2 H 1 1.396 0.030 . 1 . . . . 29 ALA HB . 10228 1 232 . 1 1 29 29 ALA HB3 H 1 1.396 0.030 . 1 . . . . 29 ALA HB . 10228 1 233 . 1 1 29 29 ALA C C 13 180.981 0.300 . 1 . . . . 29 ALA C . 10228 1 234 . 1 1 29 29 ALA CA C 13 55.545 0.300 . 1 . . . . 29 ALA CA . 10228 1 235 . 1 1 29 29 ALA CB C 13 17.763 0.300 . 1 . . . . 29 ALA CB . 10228 1 236 . 1 1 29 29 ALA N N 15 120.526 0.300 . 1 . . . . 29 ALA N . 10228 1 237 . 1 1 30 30 GLY H H 1 7.724 0.030 . 1 . . . . 30 GLY H . 10228 1 238 . 1 1 30 30 GLY HA2 H 1 3.886 0.030 . 2 . . . . 30 GLY HA2 . 10228 1 239 . 1 1 30 30 GLY HA3 H 1 3.785 0.030 . 2 . . . . 30 GLY HA3 . 10228 1 240 . 1 1 30 30 GLY C C 13 175.878 0.300 . 1 . . . . 30 GLY C . 10228 1 241 . 1 1 30 30 GLY CA C 13 46.909 0.300 . 1 . . . . 30 GLY CA . 10228 1 242 . 1 1 30 30 GLY N N 15 103.375 0.300 . 1 . . . . 30 GLY N . 10228 1 243 . 1 1 31 31 HIS H H 1 7.499 0.030 . 1 . . . . 31 HIS H . 10228 1 244 . 1 1 31 31 HIS HA H 1 4.195 0.030 . 1 . . . . 31 HIS HA . 10228 1 245 . 1 1 31 31 HIS HB2 H 1 2.794 0.030 . 2 . . . . 31 HIS HB2 . 10228 1 246 . 1 1 31 31 HIS HB3 H 1 3.167 0.030 . 2 . . . . 31 HIS HB3 . 10228 1 247 . 1 1 31 31 HIS HD2 H 1 7.029 0.030 . 1 . . . . 31 HIS HD2 . 10228 1 248 . 1 1 31 31 HIS HE1 H 1 8.017 0.030 . 1 . . . . 31 HIS HE1 . 10228 1 249 . 1 1 31 31 HIS C C 13 176.680 0.300 . 1 . . . . 31 HIS C . 10228 1 250 . 1 1 31 31 HIS CA C 13 59.232 0.300 . 1 . . . . 31 HIS CA . 10228 1 251 . 1 1 31 31 HIS CB C 13 28.775 0.300 . 1 . . . . 31 HIS CB . 10228 1 252 . 1 1 31 31 HIS CD2 C 13 127.363 0.300 . 1 . . . . 31 HIS CD2 . 10228 1 253 . 1 1 31 31 HIS CE1 C 13 139.481 0.300 . 1 . . . . 31 HIS CE1 . 10228 1 254 . 1 1 31 31 HIS N N 15 122.268 0.300 . 1 . . . . 31 HIS N . 10228 1 255 . 1 1 32 32 LEU H H 1 8.464 0.030 . 1 . . . . 32 LEU H . 10228 1 256 . 1 1 32 32 LEU HA H 1 3.900 0.030 . 1 . . . . 32 LEU HA . 10228 1 257 . 1 1 32 32 LEU HB2 H 1 1.914 0.030 . 2 . . . . 32 LEU HB2 . 10228 1 258 . 1 1 32 32 LEU HB3 H 1 1.572 0.030 . 2 . . . . 32 LEU HB3 . 10228 1 259 . 1 1 32 32 LEU HD11 H 1 1.024 0.030 . 1 . . . . 32 LEU HD1 . 10228 1 260 . 1 1 32 32 LEU HD12 H 1 1.024 0.030 . 1 . . . . 32 LEU HD1 . 10228 1 261 . 1 1 32 32 LEU HD13 H 1 1.024 0.030 . 1 . . . . 32 LEU HD1 . 10228 1 262 . 1 1 32 32 LEU HD21 H 1 1.281 0.030 . 1 . . . . 32 LEU HD2 . 10228 1 263 . 1 1 32 32 LEU HD22 H 1 1.281 0.030 . 1 . . . . 32 LEU HD2 . 10228 1 264 . 1 1 32 32 LEU HD23 H 1 1.281 0.030 . 1 . . . . 32 LEU HD2 . 10228 1 265 . 1 1 32 32 LEU HG H 1 2.004 0.030 . 1 . . . . 32 LEU HG . 10228 1 266 . 1 1 32 32 LEU C C 13 179.964 0.300 . 1 . . . . 32 LEU C . 10228 1 267 . 1 1 32 32 LEU CA C 13 58.183 0.300 . 1 . . . . 32 LEU CA . 10228 1 268 . 1 1 32 32 LEU CB C 13 41.777 0.300 . 1 . . . . 32 LEU CB . 10228 1 269 . 1 1 32 32 LEU CD1 C 13 25.643 0.300 . 2 . . . . 32 LEU CD1 . 10228 1 270 . 1 1 32 32 LEU CD2 C 13 24.653 0.300 . 2 . . . . 32 LEU CD2 . 10228 1 271 . 1 1 32 32 LEU CG C 13 27.119 0.300 . 1 . . . . 32 LEU CG . 10228 1 272 . 1 1 32 32 LEU N N 15 118.124 0.300 . 1 . . . . 32 LEU N . 10228 1 273 . 1 1 33 33 ARG H H 1 7.236 0.030 . 1 . . . . 33 ARG H . 10228 1 274 . 1 1 33 33 ARG HA H 1 4.097 0.030 . 1 . . . . 33 ARG HA . 10228 1 275 . 1 1 33 33 ARG HB2 H 1 1.890 0.030 . 1 . . . . 33 ARG HB2 . 10228 1 276 . 1 1 33 33 ARG HB3 H 1 1.890 0.030 . 1 . . . . 33 ARG HB3 . 10228 1 277 . 1 1 33 33 ARG HD2 H 1 3.228 0.030 . 1 . . . . 33 ARG HD2 . 10228 1 278 . 1 1 33 33 ARG HD3 H 1 3.228 0.030 . 1 . . . . 33 ARG HD3 . 10228 1 279 . 1 1 33 33 ARG HG2 H 1 1.816 0.030 . 2 . . . . 33 ARG HG2 . 10228 1 280 . 1 1 33 33 ARG HG3 H 1 1.673 0.030 . 2 . . . . 33 ARG HG3 . 10228 1 281 . 1 1 33 33 ARG C C 13 178.375 0.300 . 1 . . . . 33 ARG C . 10228 1 282 . 1 1 33 33 ARG CA C 13 58.637 0.300 . 1 . . . . 33 ARG CA . 10228 1 283 . 1 1 33 33 ARG CB C 13 29.760 0.300 . 1 . . . . 33 ARG CB . 10228 1 284 . 1 1 33 33 ARG CD C 13 43.315 0.300 . 1 . . . . 33 ARG CD . 10228 1 285 . 1 1 33 33 ARG CG C 13 27.575 0.300 . 1 . . . . 33 ARG CG . 10228 1 286 . 1 1 33 33 ARG N N 15 117.491 0.300 . 1 . . . . 33 ARG N . 10228 1 287 . 1 1 34 34 LEU H H 1 7.702 0.030 . 1 . . . . 34 LEU H . 10228 1 288 . 1 1 34 34 LEU HA H 1 4.031 0.030 . 1 . . . . 34 LEU HA . 10228 1 289 . 1 1 34 34 LEU HB2 H 1 1.418 0.030 . 2 . . . . 34 LEU HB2 . 10228 1 290 . 1 1 34 34 LEU HB3 H 1 1.287 0.030 . 2 . . . . 34 LEU HB3 . 10228 1 291 . 1 1 34 34 LEU HD11 H 1 0.823 0.030 . 1 . . . . 34 LEU HD1 . 10228 1 292 . 1 1 34 34 LEU HD12 H 1 0.823 0.030 . 1 . . . . 34 LEU HD1 . 10228 1 293 . 1 1 34 34 LEU HD13 H 1 0.823 0.030 . 1 . . . . 34 LEU HD1 . 10228 1 294 . 1 1 34 34 LEU HD21 H 1 0.753 0.030 . 1 . . . . 34 LEU HD2 . 10228 1 295 . 1 1 34 34 LEU HD22 H 1 0.753 0.030 . 1 . . . . 34 LEU HD2 . 10228 1 296 . 1 1 34 34 LEU HD23 H 1 0.753 0.030 . 1 . . . . 34 LEU HD2 . 10228 1 297 . 1 1 34 34 LEU HG H 1 1.585 0.030 . 1 . . . . 34 LEU HG . 10228 1 298 . 1 1 34 34 LEU C C 13 178.952 0.300 . 1 . . . . 34 LEU C . 10228 1 299 . 1 1 34 34 LEU CA C 13 56.816 0.300 . 1 . . . . 34 LEU CA . 10228 1 300 . 1 1 34 34 LEU CB C 13 40.886 0.300 . 1 . . . . 34 LEU CB . 10228 1 301 . 1 1 34 34 LEU CD1 C 13 24.999 0.300 . 2 . . . . 34 LEU CD1 . 10228 1 302 . 1 1 34 34 LEU CD2 C 13 22.995 0.300 . 2 . . . . 34 LEU CD2 . 10228 1 303 . 1 1 34 34 LEU CG C 13 26.859 0.300 . 1 . . . . 34 LEU CG . 10228 1 304 . 1 1 34 34 LEU N N 15 118.773 0.300 . 1 . . . . 34 LEU N . 10228 1 305 . 1 1 35 35 HIS H H 1 7.172 0.030 . 1 . . . . 35 HIS H . 10228 1 306 . 1 1 35 35 HIS HA H 1 4.721 0.030 . 1 . . . . 35 HIS HA . 10228 1 307 . 1 1 35 35 HIS HB2 H 1 3.294 0.030 . 2 . . . . 35 HIS HB2 . 10228 1 308 . 1 1 35 35 HIS HB3 H 1 3.126 0.030 . 2 . . . . 35 HIS HB3 . 10228 1 309 . 1 1 35 35 HIS HD2 H 1 6.689 0.030 . 1 . . . . 35 HIS HD2 . 10228 1 310 . 1 1 35 35 HIS HE1 H 1 8.025 0.030 . 1 . . . . 35 HIS HE1 . 10228 1 311 . 1 1 35 35 HIS C C 13 175.730 0.300 . 1 . . . . 35 HIS C . 10228 1 312 . 1 1 35 35 HIS CA C 13 55.788 0.300 . 1 . . . . 35 HIS CA . 10228 1 313 . 1 1 35 35 HIS CB C 13 28.787 0.300 . 1 . . . . 35 HIS CB . 10228 1 314 . 1 1 35 35 HIS CD2 C 13 127.237 0.300 . 1 . . . . 35 HIS CD2 . 10228 1 315 . 1 1 35 35 HIS CE1 C 13 139.786 0.300 . 1 . . . . 35 HIS CE1 . 10228 1 316 . 1 1 35 35 HIS N N 15 115.314 0.300 . 1 . . . . 35 HIS N . 10228 1 317 . 1 1 36 36 SER H H 1 7.773 0.030 . 1 . . . . 36 SER H . 10228 1 318 . 1 1 36 36 SER HA H 1 4.410 0.030 . 1 . . . . 36 SER HA . 10228 1 319 . 1 1 36 36 SER HB2 H 1 3.957 0.030 . 2 . . . . 36 SER HB2 . 10228 1 320 . 1 1 36 36 SER HB3 H 1 3.915 0.030 . 2 . . . . 36 SER HB3 . 10228 1 321 . 1 1 36 36 SER C C 13 175.092 0.300 . 1 . . . . 36 SER C . 10228 1 322 . 1 1 36 36 SER CA C 13 59.320 0.300 . 1 . . . . 36 SER CA . 10228 1 323 . 1 1 36 36 SER CB C 13 63.614 0.300 . 1 . . . . 36 SER CB . 10228 1 324 . 1 1 36 36 SER N N 15 114.851 0.300 . 1 . . . . 36 SER N . 10228 1 325 . 1 1 37 37 ARG H H 1 8.264 0.030 . 1 . . . . 37 ARG H . 10228 1 326 . 1 1 37 37 ARG HA H 1 4.340 0.030 . 1 . . . . 37 ARG HA . 10228 1 327 . 1 1 37 37 ARG HB2 H 1 1.933 0.030 . 2 . . . . 37 ARG HB2 . 10228 1 328 . 1 1 37 37 ARG HB3 H 1 1.816 0.030 . 2 . . . . 37 ARG HB3 . 10228 1 329 . 1 1 37 37 ARG HD2 H 1 3.206 0.030 . 1 . . . . 37 ARG HD2 . 10228 1 330 . 1 1 37 37 ARG HD3 H 1 3.206 0.030 . 1 . . . . 37 ARG HD3 . 10228 1 331 . 1 1 37 37 ARG HG2 H 1 1.678 0.030 . 1 . . . . 37 ARG HG2 . 10228 1 332 . 1 1 37 37 ARG HG3 H 1 1.678 0.030 . 1 . . . . 37 ARG HG3 . 10228 1 333 . 1 1 37 37 ARG C C 13 176.804 0.300 . 1 . . . . 37 ARG C . 10228 1 334 . 1 1 37 37 ARG CA C 13 56.665 0.300 . 1 . . . . 37 ARG CA . 10228 1 335 . 1 1 37 37 ARG CB C 13 30.544 0.300 . 1 . . . . 37 ARG CB . 10228 1 336 . 1 1 37 37 ARG CD C 13 43.314 0.300 . 1 . . . . 37 ARG CD . 10228 1 337 . 1 1 37 37 ARG CG C 13 27.119 0.300 . 1 . . . . 37 ARG CG . 10228 1 338 . 1 1 37 37 ARG N N 15 122.680 0.300 . 1 . . . . 37 ARG N . 10228 1 339 . 1 1 38 38 GLU H H 1 8.236 0.030 . 1 . . . . 38 GLU H . 10228 1 340 . 1 1 38 38 GLU HA H 1 4.242 0.030 . 1 . . . . 38 GLU HA . 10228 1 341 . 1 1 38 38 GLU HB2 H 1 2.056 0.030 . 2 . . . . 38 GLU HB2 . 10228 1 342 . 1 1 38 38 GLU HB3 H 1 2.001 0.030 . 2 . . . . 38 GLU HB3 . 10228 1 343 . 1 1 38 38 GLU HG2 H 1 2.332 0.030 . 2 . . . . 38 GLU HG2 . 10228 1 344 . 1 1 38 38 GLU HG3 H 1 2.269 0.030 . 2 . . . . 38 GLU HG3 . 10228 1 345 . 1 1 38 38 GLU C C 13 176.807 0.300 . 1 . . . . 38 GLU C . 10228 1 346 . 1 1 38 38 GLU CA C 13 56.861 0.300 . 1 . . . . 38 GLU CA . 10228 1 347 . 1 1 38 38 GLU CB C 13 30.121 0.300 . 1 . . . . 38 GLU CB . 10228 1 348 . 1 1 38 38 GLU CG C 13 36.279 0.300 . 1 . . . . 38 GLU CG . 10228 1 349 . 1 1 38 38 GLU N N 15 120.831 0.300 . 1 . . . . 38 GLU N . 10228 1 350 . 1 1 39 39 LYS H H 1 8.214 0.030 . 1 . . . . 39 LYS H . 10228 1 351 . 1 1 39 39 LYS HA H 1 4.337 0.030 . 1 . . . . 39 LYS HA . 10228 1 352 . 1 1 39 39 LYS HB2 H 1 1.887 0.030 . 2 . . . . 39 LYS HB2 . 10228 1 353 . 1 1 39 39 LYS HB3 H 1 1.790 0.030 . 2 . . . . 39 LYS HB3 . 10228 1 354 . 1 1 39 39 LYS HD2 H 1 1.684 0.030 . 1 . . . . 39 LYS HD2 . 10228 1 355 . 1 1 39 39 LYS HD3 H 1 1.684 0.030 . 1 . . . . 39 LYS HD3 . 10228 1 356 . 1 1 39 39 LYS HE2 H 1 2.992 0.030 . 1 . . . . 39 LYS HE2 . 10228 1 357 . 1 1 39 39 LYS HE3 H 1 2.992 0.030 . 1 . . . . 39 LYS HE3 . 10228 1 358 . 1 1 39 39 LYS HG2 H 1 1.487 0.030 . 2 . . . . 39 LYS HG2 . 10228 1 359 . 1 1 39 39 LYS HG3 H 1 1.436 0.030 . 2 . . . . 39 LYS HG3 . 10228 1 360 . 1 1 39 39 LYS C C 13 176.749 0.300 . 1 . . . . 39 LYS C . 10228 1 361 . 1 1 39 39 LYS CA C 13 56.498 0.300 . 1 . . . . 39 LYS CA . 10228 1 362 . 1 1 39 39 LYS CB C 13 32.926 0.300 . 1 . . . . 39 LYS CB . 10228 1 363 . 1 1 39 39 LYS CD C 13 29.030 0.300 . 1 . . . . 39 LYS CD . 10228 1 364 . 1 1 39 39 LYS CE C 13 42.141 0.300 . 1 . . . . 39 LYS CE . 10228 1 365 . 1 1 39 39 LYS CG C 13 24.688 0.300 . 1 . . . . 39 LYS CG . 10228 1 366 . 1 1 39 39 LYS N N 15 121.436 0.300 . 1 . . . . 39 LYS N . 10228 1 367 . 1 1 40 40 SER H H 1 8.282 0.030 . 1 . . . . 40 SER H . 10228 1 368 . 1 1 40 40 SER HA H 1 4.471 0.030 . 1 . . . . 40 SER HA . 10228 1 369 . 1 1 40 40 SER HB2 H 1 3.881 0.030 . 1 . . . . 40 SER HB2 . 10228 1 370 . 1 1 40 40 SER HB3 H 1 3.881 0.030 . 1 . . . . 40 SER HB3 . 10228 1 371 . 1 1 40 40 SER C C 13 174.618 0.300 . 1 . . . . 40 SER C . 10228 1 372 . 1 1 40 40 SER CA C 13 58.313 0.300 . 1 . . . . 40 SER CA . 10228 1 373 . 1 1 40 40 SER CB C 13 63.713 0.300 . 1 . . . . 40 SER CB . 10228 1 374 . 1 1 40 40 SER N N 15 116.652 0.300 . 1 . . . . 40 SER N . 10228 1 375 . 1 1 41 41 SER H H 1 8.315 0.030 . 1 . . . . 41 SER H . 10228 1 376 . 1 1 41 41 SER HA H 1 4.505 0.030 . 1 . . . . 41 SER HA . 10228 1 377 . 1 1 41 41 SER HB2 H 1 3.879 0.030 . 1 . . . . 41 SER HB2 . 10228 1 378 . 1 1 41 41 SER HB3 H 1 3.879 0.030 . 1 . . . . 41 SER HB3 . 10228 1 379 . 1 1 41 41 SER C C 13 174.491 0.300 . 1 . . . . 41 SER C . 10228 1 380 . 1 1 41 41 SER CA C 13 58.298 0.300 . 1 . . . . 41 SER CA . 10228 1 381 . 1 1 41 41 SER CB C 13 63.977 0.300 . 1 . . . . 41 SER CB . 10228 1 382 . 1 1 41 41 SER N N 15 117.808 0.300 . 1 . . . . 41 SER N . 10228 1 383 . 1 1 42 42 GLY H H 1 8.209 0.030 . 1 . . . . 42 GLY H . 10228 1 384 . 1 1 42 42 GLY HA2 H 1 4.137 0.030 . 1 . . . . 42 GLY HA2 . 10228 1 385 . 1 1 42 42 GLY HA3 H 1 4.137 0.030 . 1 . . . . 42 GLY HA3 . 10228 1 386 . 1 1 42 42 GLY C C 13 171.766 0.300 . 1 . . . . 42 GLY C . 10228 1 387 . 1 1 42 42 GLY CA C 13 44.693 0.300 . 1 . . . . 42 GLY CA . 10228 1 388 . 1 1 42 42 GLY N N 15 110.577 0.300 . 1 . . . . 42 GLY N . 10228 1 389 . 1 1 43 43 PRO HA H 1 4.477 0.030 . 1 . . . . 43 PRO HA . 10228 1 390 . 1 1 43 43 PRO HB2 H 1 1.964 0.030 . 2 . . . . 43 PRO HB2 . 10228 1 391 . 1 1 43 43 PRO HB3 H 1 2.291 0.030 . 2 . . . . 43 PRO HB3 . 10228 1 392 . 1 1 43 43 PRO HD2 H 1 3.629 0.030 . 1 . . . . 43 PRO HD2 . 10228 1 393 . 1 1 43 43 PRO HD3 H 1 3.629 0.030 . 1 . . . . 43 PRO HD3 . 10228 1 394 . 1 1 43 43 PRO HG2 H 1 2.020 0.030 . 1 . . . . 43 PRO HG2 . 10228 1 395 . 1 1 43 43 PRO HG3 H 1 2.020 0.030 . 1 . . . . 43 PRO HG3 . 10228 1 396 . 1 1 43 43 PRO C C 13 177.379 0.300 . 1 . . . . 43 PRO C . 10228 1 397 . 1 1 43 43 PRO CA C 13 63.211 0.300 . 1 . . . . 43 PRO CA . 10228 1 398 . 1 1 43 43 PRO CB C 13 32.181 0.300 . 1 . . . . 43 PRO CB . 10228 1 399 . 1 1 43 43 PRO CD C 13 49.869 0.300 . 1 . . . . 43 PRO CD . 10228 1 400 . 1 1 43 43 PRO CG C 13 27.141 0.300 . 1 . . . . 43 PRO CG . 10228 1 401 . 1 1 44 44 SER H H 1 8.517 0.030 . 1 . . . . 44 SER H . 10228 1 402 . 1 1 44 44 SER C C 13 174.661 0.300 . 1 . . . . 44 SER C . 10228 1 403 . 1 1 44 44 SER CA C 13 58.543 0.300 . 1 . . . . 44 SER CA . 10228 1 404 . 1 1 44 44 SER CB C 13 64.118 0.300 . 1 . . . . 44 SER CB . 10228 1 405 . 1 1 44 44 SER N N 15 116.460 0.300 . 1 . . . . 44 SER N . 10228 1 stop_ save_