################################### # 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 10184 _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 10184 1 2 '3D 15N-separated NOESY' 1 $sample_1 isotropic 10184 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 45.450 0.300 . 1 . . . . 7 GLY CA . 10184 1 2 . 1 1 7 7 GLY HA3 H 1 4.030 0.030 . 1 . . . . 7 GLY HA3 . 10184 1 3 . 1 1 7 7 GLY HA2 H 1 4.030 0.030 . 1 . . . . 7 GLY HA2 . 10184 1 4 . 1 1 8 8 THR N N 15 112.777 0.300 . 1 . . . . 8 THR N . 10184 1 5 . 1 1 8 8 THR H H 1 8.142 0.030 . 1 . . . . 8 THR H . 10184 1 6 . 1 1 8 8 THR CA C 13 61.874 0.300 . 1 . . . . 8 THR CA . 10184 1 7 . 1 1 8 8 THR HA H 1 4.374 0.030 . 1 . . . . 8 THR HA . 10184 1 8 . 1 1 8 8 THR CB C 13 69.838 0.300 . 1 . . . . 8 THR CB . 10184 1 9 . 1 1 8 8 THR HB H 1 4.304 0.030 . 1 . . . . 8 THR HB . 10184 1 10 . 1 1 8 8 THR CG2 C 13 21.547 0.300 . 1 . . . . 8 THR CG2 . 10184 1 11 . 1 1 8 8 THR HG21 H 1 1.190 0.030 . 1 . . . . 8 THR HG2 . 10184 1 12 . 1 1 8 8 THR HG22 H 1 1.190 0.030 . 1 . . . . 8 THR HG2 . 10184 1 13 . 1 1 8 8 THR HG23 H 1 1.190 0.030 . 1 . . . . 8 THR HG2 . 10184 1 14 . 1 1 8 8 THR C C 13 174.631 0.300 . 1 . . . . 8 THR C . 10184 1 15 . 1 1 9 9 GLY N N 15 110.604 0.300 . 1 . . . . 9 GLY N . 10184 1 16 . 1 1 9 9 GLY H H 1 8.219 0.030 . 1 . . . . 9 GLY H . 10184 1 17 . 1 1 9 9 GLY CA C 13 45.339 0.300 . 1 . . . . 9 GLY CA . 10184 1 18 . 1 1 9 9 GLY HA3 H 1 3.974 0.030 . 2 . . . . 9 GLY HA3 . 10184 1 19 . 1 1 9 9 GLY C C 13 173.976 0.300 . 1 . . . . 9 GLY C . 10184 1 20 . 1 1 9 9 GLY HA2 H 1 3.929 0.030 . 2 . . . . 9 GLY HA2 . 10184 1 21 . 1 1 10 10 GLU N N 15 120.077 0.300 . 1 . . . . 10 GLU N . 10184 1 22 . 1 1 10 10 GLU H H 1 8.193 0.030 . 1 . . . . 10 GLU H . 10184 1 23 . 1 1 10 10 GLU CA C 13 56.334 0.300 . 1 . . . . 10 GLU CA . 10184 1 24 . 1 1 10 10 GLU HA H 1 4.257 0.030 . 1 . . . . 10 GLU HA . 10184 1 25 . 1 1 10 10 GLU CB C 13 30.542 0.300 . 1 . . . . 10 GLU CB . 10184 1 26 . 1 1 10 10 GLU HB3 H 1 2.000 0.030 . 2 . . . . 10 GLU HB3 . 10184 1 27 . 1 1 10 10 GLU CG C 13 36.295 0.300 . 1 . . . . 10 GLU CG . 10184 1 28 . 1 1 10 10 GLU HG3 H 1 2.211 0.030 . 1 . . . . 10 GLU HG3 . 10184 1 29 . 1 1 10 10 GLU C C 13 175.869 0.300 . 1 . . . . 10 GLU C . 10184 1 30 . 1 1 10 10 GLU HB2 H 1 1.849 0.030 . 2 . . . . 10 GLU HB2 . 10184 1 31 . 1 1 10 10 GLU HG2 H 1 2.211 0.030 . 1 . . . . 10 GLU HG2 . 10184 1 32 . 1 1 11 11 ASN N N 15 120.072 0.300 . 1 . . . . 11 ASN N . 10184 1 33 . 1 1 11 11 ASN H H 1 8.365 0.030 . 1 . . . . 11 ASN H . 10184 1 34 . 1 1 11 11 ASN CA C 13 51.358 0.300 . 1 . . . . 11 ASN CA . 10184 1 35 . 1 1 11 11 ASN HA H 1 4.872 0.030 . 1 . . . . 11 ASN HA . 10184 1 36 . 1 1 11 11 ASN CB C 13 39.215 0.300 . 1 . . . . 11 ASN CB . 10184 1 37 . 1 1 11 11 ASN HB3 H 1 2.625 0.030 . 2 . . . . 11 ASN HB3 . 10184 1 38 . 1 1 11 11 ASN ND2 N 15 113.574 0.300 . 1 . . . . 11 ASN ND2 . 10184 1 39 . 1 1 11 11 ASN HD21 H 1 6.886 0.030 . 2 . . . . 11 ASN HD21 . 10184 1 40 . 1 1 11 11 ASN HD22 H 1 7.487 0.030 . 2 . . . . 11 ASN HD22 . 10184 1 41 . 1 1 11 11 ASN C C 13 173.417 0.300 . 1 . . . . 11 ASN C . 10184 1 42 . 1 1 11 11 ASN HB2 H 1 2.546 0.030 . 2 . . . . 11 ASN HB2 . 10184 1 43 . 1 1 12 12 PRO CA C 13 63.071 0.300 . 1 . . . . 12 PRO CA . 10184 1 44 . 1 1 12 12 PRO HA H 1 4.304 0.030 . 1 . . . . 12 PRO HA . 10184 1 45 . 1 1 12 12 PRO CB C 13 32.343 0.300 . 1 . . . . 12 PRO CB . 10184 1 46 . 1 1 12 12 PRO HB3 H 1 1.547 0.030 . 2 . . . . 12 PRO HB3 . 10184 1 47 . 1 1 12 12 PRO CG C 13 26.754 0.300 . 1 . . . . 12 PRO CG . 10184 1 48 . 1 1 12 12 PRO HG3 H 1 1.627 0.030 . 2 . . . . 12 PRO HG3 . 10184 1 49 . 1 1 12 12 PRO CD C 13 50.264 0.300 . 1 . . . . 12 PRO CD . 10184 1 50 . 1 1 12 12 PRO HD3 H 1 3.598 0.030 . 2 . . . . 12 PRO HD3 . 10184 1 51 . 1 1 12 12 PRO C C 13 175.981 0.300 . 1 . . . . 12 PRO C . 10184 1 52 . 1 1 12 12 PRO HB2 H 1 2.038 0.030 . 2 . . . . 12 PRO HB2 . 10184 1 53 . 1 1 12 12 PRO HD2 H 1 3.545 0.030 . 2 . . . . 12 PRO HD2 . 10184 1 54 . 1 1 12 12 PRO HG2 H 1 1.847 0.030 . 2 . . . . 12 PRO HG2 . 10184 1 55 . 1 1 13 13 PHE N N 15 119.314 0.300 . 1 . . . . 13 PHE N . 10184 1 56 . 1 1 13 13 PHE H H 1 8.292 0.030 . 1 . . . . 13 PHE H . 10184 1 57 . 1 1 13 13 PHE CA C 13 57.055 0.300 . 1 . . . . 13 PHE CA . 10184 1 58 . 1 1 13 13 PHE HA H 1 4.705 0.030 . 1 . . . . 13 PHE HA . 10184 1 59 . 1 1 13 13 PHE CB C 13 39.402 0.300 . 1 . . . . 13 PHE CB . 10184 1 60 . 1 1 13 13 PHE HB3 H 1 3.040 0.030 . 1 . . . . 13 PHE HB3 . 10184 1 61 . 1 1 13 13 PHE CD1 C 13 131.664 0.300 . 1 . . . . 13 PHE CD1 . 10184 1 62 . 1 1 13 13 PHE HD1 H 1 7.129 0.030 . 1 . . . . 13 PHE HD1 . 10184 1 63 . 1 1 13 13 PHE CD2 C 13 131.664 0.300 . 1 . . . . 13 PHE CD2 . 10184 1 64 . 1 1 13 13 PHE HD2 H 1 7.129 0.030 . 1 . . . . 13 PHE HD2 . 10184 1 65 . 1 1 13 13 PHE CE1 C 13 131.664 0.300 . 1 . . . . 13 PHE CE1 . 10184 1 66 . 1 1 13 13 PHE HE1 H 1 7.405 0.030 . 1 . . . . 13 PHE HE1 . 10184 1 67 . 1 1 13 13 PHE CE2 C 13 131.664 0.300 . 1 . . . . 13 PHE CE2 . 10184 1 68 . 1 1 13 13 PHE HE2 H 1 7.405 0.030 . 1 . . . . 13 PHE HE2 . 10184 1 69 . 1 1 13 13 PHE CZ C 13 130.086 0.300 . 1 . . . . 13 PHE CZ . 10184 1 70 . 1 1 13 13 PHE HZ H 1 7.388 0.030 . 1 . . . . 13 PHE HZ . 10184 1 71 . 1 1 13 13 PHE C C 13 174.054 0.300 . 1 . . . . 13 PHE C . 10184 1 72 . 1 1 13 13 PHE HB2 H 1 3.040 0.030 . 1 . . . . 13 PHE HB2 . 10184 1 73 . 1 1 14 14 ILE N N 15 122.850 0.300 . 1 . . . . 14 ILE N . 10184 1 74 . 1 1 14 14 ILE H H 1 8.311 0.030 . 1 . . . . 14 ILE H . 10184 1 75 . 1 1 14 14 ILE CA C 13 59.824 0.300 . 1 . . . . 14 ILE CA . 10184 1 76 . 1 1 14 14 ILE HA H 1 4.848 0.030 . 1 . . . . 14 ILE HA . 10184 1 77 . 1 1 14 14 ILE CB C 13 41.237 0.300 . 1 . . . . 14 ILE CB . 10184 1 78 . 1 1 14 14 ILE HB H 1 1.586 0.030 . 1 . . . . 14 ILE HB . 10184 1 79 . 1 1 14 14 ILE CG1 C 13 28.093 0.300 . 1 . . . . 14 ILE CG1 . 10184 1 80 . 1 1 14 14 ILE HG13 H 1 1.424 0.030 . 2 . . . . 14 ILE HG13 . 10184 1 81 . 1 1 14 14 ILE CG2 C 13 16.641 0.300 . 1 . . . . 14 ILE CG2 . 10184 1 82 . 1 1 14 14 ILE HG21 H 1 0.729 0.030 . 1 . . . . 14 ILE HG2 . 10184 1 83 . 1 1 14 14 ILE HG22 H 1 0.729 0.030 . 1 . . . . 14 ILE HG2 . 10184 1 84 . 1 1 14 14 ILE HG23 H 1 0.729 0.030 . 1 . . . . 14 ILE HG2 . 10184 1 85 . 1 1 14 14 ILE CD1 C 13 13.727 0.300 . 1 . . . . 14 ILE CD1 . 10184 1 86 . 1 1 14 14 ILE HD11 H 1 0.804 0.030 . 1 . . . . 14 ILE HD1 . 10184 1 87 . 1 1 14 14 ILE HD12 H 1 0.804 0.030 . 1 . . . . 14 ILE HD1 . 10184 1 88 . 1 1 14 14 ILE HD13 H 1 0.804 0.030 . 1 . . . . 14 ILE HD1 . 10184 1 89 . 1 1 14 14 ILE C C 13 175.774 0.300 . 1 . . . . 14 ILE C . 10184 1 90 . 1 1 14 14 ILE HG12 H 1 0.905 0.030 . 2 . . . . 14 ILE HG12 . 10184 1 91 . 1 1 15 15 CYS N N 15 129.055 0.300 . 1 . . . . 15 CYS N . 10184 1 92 . 1 1 15 15 CYS H H 1 9.276 0.030 . 1 . . . . 15 CYS H . 10184 1 93 . 1 1 15 15 CYS CA C 13 59.920 0.300 . 1 . . . . 15 CYS CA . 10184 1 94 . 1 1 15 15 CYS HA H 1 4.586 0.030 . 1 . . . . 15 CYS HA . 10184 1 95 . 1 1 15 15 CYS CB C 13 29.432 0.300 . 1 . . . . 15 CYS CB . 10184 1 96 . 1 1 15 15 CYS HB3 H 1 2.915 0.030 . 2 . . . . 15 CYS HB3 . 10184 1 97 . 1 1 15 15 CYS C C 13 177.331 0.300 . 1 . . . . 15 CYS C . 10184 1 98 . 1 1 15 15 CYS HB2 H 1 3.421 0.030 . 2 . . . . 15 CYS HB2 . 10184 1 99 . 1 1 16 16 SER N N 15 114.664 0.300 . 1 . . . . 16 SER N . 10184 1 100 . 1 1 16 16 SER H H 1 9.283 0.030 . 1 . . . . 16 SER H . 10184 1 101 . 1 1 16 16 SER CA C 13 61.085 0.300 . 1 . . . . 16 SER CA . 10184 1 102 . 1 1 16 16 SER HA H 1 4.215 0.030 . 1 . . . . 16 SER HA . 10184 1 103 . 1 1 16 16 SER CB C 13 63.030 0.300 . 1 . . . . 16 SER CB . 10184 1 104 . 1 1 16 16 SER HB3 H 1 4.003 0.030 . 2 . . . . 16 SER HB3 . 10184 1 105 . 1 1 16 16 SER C C 13 174.495 0.300 . 1 . . . . 16 SER C . 10184 1 106 . 1 1 16 16 SER HB2 H 1 4.047 0.030 . 2 . . . . 16 SER HB2 . 10184 1 107 . 1 1 17 17 GLU N N 15 122.474 0.300 . 1 . . . . 17 GLU N . 10184 1 108 . 1 1 17 17 GLU H H 1 8.603 0.030 . 1 . . . . 17 GLU H . 10184 1 109 . 1 1 17 17 GLU CA C 13 58.006 0.300 . 1 . . . . 17 GLU CA . 10184 1 110 . 1 1 17 17 GLU HA H 1 4.251 0.030 . 1 . . . . 17 GLU HA . 10184 1 111 . 1 1 17 17 GLU CB C 13 29.542 0.300 . 1 . . . . 17 GLU CB . 10184 1 112 . 1 1 17 17 GLU HB3 H 1 1.258 0.030 . 2 . . . . 17 GLU HB3 . 10184 1 113 . 1 1 17 17 GLU CG C 13 35.794 0.300 . 1 . . . . 17 GLU CG . 10184 1 114 . 1 1 17 17 GLU HG3 H 1 1.801 0.030 . 2 . . . . 17 GLU HG3 . 10184 1 115 . 1 1 17 17 GLU C C 13 177.153 0.300 . 1 . . . . 17 GLU C . 10184 1 116 . 1 1 17 17 GLU HB2 H 1 1.331 0.030 . 2 . . . . 17 GLU HB2 . 10184 1 117 . 1 1 17 17 GLU HG2 H 1 1.888 0.030 . 2 . . . . 17 GLU HG2 . 10184 1 118 . 1 1 18 18 CYS N N 15 114.558 0.300 . 1 . . . . 18 CYS N . 10184 1 119 . 1 1 18 18 CYS H H 1 7.882 0.030 . 1 . . . . 18 CYS H . 10184 1 120 . 1 1 18 18 CYS CA C 13 58.430 0.300 . 1 . . . . 18 CYS CA . 10184 1 121 . 1 1 18 18 CYS HA H 1 5.183 0.030 . 1 . . . . 18 CYS HA . 10184 1 122 . 1 1 18 18 CYS CB C 13 32.630 0.300 . 1 . . . . 18 CYS CB . 10184 1 123 . 1 1 18 18 CYS HB3 H 1 2.855 0.030 . 2 . . . . 18 CYS HB3 . 10184 1 124 . 1 1 18 18 CYS C C 13 176.361 0.300 . 1 . . . . 18 CYS C . 10184 1 125 . 1 1 18 18 CYS HB2 H 1 3.454 0.030 . 2 . . . . 18 CYS HB2 . 10184 1 126 . 1 1 19 19 GLY N N 15 113.615 0.300 . 1 . . . . 19 GLY N . 10184 1 127 . 1 1 19 19 GLY H H 1 8.332 0.030 . 1 . . . . 19 GLY H . 10184 1 128 . 1 1 19 19 GLY CA C 13 46.106 0.300 . 1 . . . . 19 GLY CA . 10184 1 129 . 1 1 19 19 GLY HA3 H 1 3.733 0.030 . 2 . . . . 19 GLY HA3 . 10184 1 130 . 1 1 19 19 GLY C C 13 173.422 0.300 . 1 . . . . 19 GLY C . 10184 1 131 . 1 1 19 19 GLY HA2 H 1 4.186 0.030 . 2 . . . . 19 GLY HA2 . 10184 1 132 . 1 1 20 20 LYS N N 15 122.607 0.300 . 1 . . . . 20 LYS N . 10184 1 133 . 1 1 20 20 LYS H H 1 7.917 0.030 . 1 . . . . 20 LYS H . 10184 1 134 . 1 1 20 20 LYS CA C 13 58.336 0.300 . 1 . . . . 20 LYS CA . 10184 1 135 . 1 1 20 20 LYS HA H 1 3.994 0.030 . 1 . . . . 20 LYS HA . 10184 1 136 . 1 1 20 20 LYS CB C 13 33.765 0.300 . 1 . . . . 20 LYS CB . 10184 1 137 . 1 1 20 20 LYS HB3 H 1 1.223 0.030 . 2 . . . . 20 LYS HB3 . 10184 1 138 . 1 1 20 20 LYS CG C 13 26.363 0.300 . 1 . . . . 20 LYS CG . 10184 1 139 . 1 1 20 20 LYS HG3 H 1 1.421 0.030 . 2 . . . . 20 LYS HG3 . 10184 1 140 . 1 1 20 20 LYS CD C 13 29.306 0.300 . 1 . . . . 20 LYS CD . 10184 1 141 . 1 1 20 20 LYS HD3 H 1 1.495 0.030 . 2 . . . . 20 LYS HD3 . 10184 1 142 . 1 1 20 20 LYS CE C 13 42.100 0.300 . 1 . . . . 20 LYS CE . 10184 1 143 . 1 1 20 20 LYS HE3 H 1 2.865 0.030 . 2 . . . . 20 LYS HE3 . 10184 1 144 . 1 1 20 20 LYS C C 13 174.018 0.300 . 1 . . . . 20 LYS C . 10184 1 145 . 1 1 20 20 LYS HB2 H 1 1.470 0.030 . 2 . . . . 20 LYS HB2 . 10184 1 146 . 1 1 20 20 LYS HD2 H 1 1.384 0.030 . 2 . . . . 20 LYS HD2 . 10184 1 147 . 1 1 20 20 LYS HE2 H 1 2.908 0.030 . 2 . . . . 20 LYS HE2 . 10184 1 148 . 1 1 20 20 LYS HG2 H 1 1.010 0.030 . 2 . . . . 20 LYS HG2 . 10184 1 149 . 1 1 21 21 VAL N N 15 119.988 0.300 . 1 . . . . 21 VAL N . 10184 1 150 . 1 1 21 21 VAL H H 1 7.622 0.030 . 1 . . . . 21 VAL H . 10184 1 151 . 1 1 21 21 VAL CA C 13 61.260 0.300 . 1 . . . . 21 VAL CA . 10184 1 152 . 1 1 21 21 VAL HA H 1 4.565 0.030 . 1 . . . . 21 VAL HA . 10184 1 153 . 1 1 21 21 VAL CB C 13 33.625 0.300 . 1 . . . . 21 VAL CB . 10184 1 154 . 1 1 21 21 VAL HB H 1 1.759 0.030 . 1 . . . . 21 VAL HB . 10184 1 155 . 1 1 21 21 VAL CG1 C 13 21.805 0.300 . 2 . . . . 21 VAL CG1 . 10184 1 156 . 1 1 21 21 VAL HG11 H 1 0.809 0.030 . 1 . . . . 21 VAL HG1 . 10184 1 157 . 1 1 21 21 VAL HG12 H 1 0.809 0.030 . 1 . . . . 21 VAL HG1 . 10184 1 158 . 1 1 21 21 VAL HG13 H 1 0.809 0.030 . 1 . . . . 21 VAL HG1 . 10184 1 159 . 1 1 21 21 VAL CG2 C 13 20.881 0.300 . 2 . . . . 21 VAL CG2 . 10184 1 160 . 1 1 21 21 VAL HG21 H 1 0.863 0.030 . 1 . . . . 21 VAL HG2 . 10184 1 161 . 1 1 21 21 VAL HG22 H 1 0.863 0.030 . 1 . . . . 21 VAL HG2 . 10184 1 162 . 1 1 21 21 VAL HG23 H 1 0.863 0.030 . 1 . . . . 21 VAL HG2 . 10184 1 163 . 1 1 21 21 VAL C C 13 175.348 0.300 . 1 . . . . 21 VAL C . 10184 1 164 . 1 1 22 22 PHE N N 15 122.931 0.300 . 1 . . . . 22 PHE N . 10184 1 165 . 1 1 22 22 PHE H H 1 8.909 0.030 . 1 . . . . 22 PHE H . 10184 1 166 . 1 1 22 22 PHE CA C 13 57.177 0.300 . 1 . . . . 22 PHE CA . 10184 1 167 . 1 1 22 22 PHE HA H 1 4.774 0.030 . 1 . . . . 22 PHE HA . 10184 1 168 . 1 1 22 22 PHE CB C 13 42.896 0.300 . 1 . . . . 22 PHE CB . 10184 1 169 . 1 1 22 22 PHE HB3 H 1 2.716 0.030 . 2 . . . . 22 PHE HB3 . 10184 1 170 . 1 1 22 22 PHE CD1 C 13 132.400 0.300 . 1 . . . . 22 PHE CD1 . 10184 1 171 . 1 1 22 22 PHE HD1 H 1 7.244 0.030 . 1 . . . . 22 PHE HD1 . 10184 1 172 . 1 1 22 22 PHE CD2 C 13 132.400 0.300 . 1 . . . . 22 PHE CD2 . 10184 1 173 . 1 1 22 22 PHE HD2 H 1 7.244 0.030 . 1 . . . . 22 PHE HD2 . 10184 1 174 . 1 1 22 22 PHE CE1 C 13 130.606 0.300 . 1 . . . . 22 PHE CE1 . 10184 1 175 . 1 1 22 22 PHE HE1 H 1 6.848 0.030 . 1 . . . . 22 PHE HE1 . 10184 1 176 . 1 1 22 22 PHE CE2 C 13 130.606 0.300 . 1 . . . . 22 PHE CE2 . 10184 1 177 . 1 1 22 22 PHE HE2 H 1 6.848 0.030 . 1 . . . . 22 PHE HE2 . 10184 1 178 . 1 1 22 22 PHE CZ C 13 128.720 0.300 . 1 . . . . 22 PHE CZ . 10184 1 179 . 1 1 22 22 PHE HZ H 1 6.186 0.030 . 1 . . . . 22 PHE HZ . 10184 1 180 . 1 1 22 22 PHE C C 13 175.213 0.300 . 1 . . . . 22 PHE C . 10184 1 181 . 1 1 22 22 PHE HB2 H 1 3.361 0.030 . 2 . . . . 22 PHE HB2 . 10184 1 182 . 1 1 23 23 THR N N 15 113.904 0.300 . 1 . . . . 23 THR N . 10184 1 183 . 1 1 23 23 THR H H 1 8.911 0.030 . 1 . . . . 23 THR H . 10184 1 184 . 1 1 23 23 THR CA C 13 63.768 0.300 . 1 . . . . 23 THR CA . 10184 1 185 . 1 1 23 23 THR HA H 1 4.347 0.030 . 1 . . . . 23 THR HA . 10184 1 186 . 1 1 23 23 THR CB C 13 69.464 0.300 . 1 . . . . 23 THR CB . 10184 1 187 . 1 1 23 23 THR HB H 1 4.229 0.030 . 1 . . . . 23 THR HB . 10184 1 188 . 1 1 23 23 THR CG2 C 13 21.881 0.300 . 1 . . . . 23 THR CG2 . 10184 1 189 . 1 1 23 23 THR HG21 H 1 1.107 0.030 . 1 . . . . 23 THR HG2 . 10184 1 190 . 1 1 23 23 THR HG22 H 1 1.107 0.030 . 1 . . . . 23 THR HG2 . 10184 1 191 . 1 1 23 23 THR HG23 H 1 1.107 0.030 . 1 . . . . 23 THR HG2 . 10184 1 192 . 1 1 23 23 THR C C 13 174.304 0.300 . 1 . . . . 23 THR C . 10184 1 193 . 1 1 24 24 HIS N N 15 118.243 0.300 . 1 . . . . 24 HIS N . 10184 1 194 . 1 1 24 24 HIS H H 1 7.673 0.030 . 1 . . . . 24 HIS H . 10184 1 195 . 1 1 24 24 HIS CA C 13 55.567 0.300 . 1 . . . . 24 HIS CA . 10184 1 196 . 1 1 24 24 HIS HA H 1 4.801 0.030 . 1 . . . . 24 HIS HA . 10184 1 197 . 1 1 24 24 HIS CB C 13 33.368 0.300 . 1 . . . . 24 HIS CB . 10184 1 198 . 1 1 24 24 HIS HB3 H 1 3.008 0.030 . 2 . . . . 24 HIS HB3 . 10184 1 199 . 1 1 24 24 HIS CD2 C 13 119.421 0.300 . 1 . . . . 24 HIS CD2 . 10184 1 200 . 1 1 24 24 HIS HD2 H 1 7.166 0.030 . 1 . . . . 24 HIS HD2 . 10184 1 201 . 1 1 24 24 HIS CE1 C 13 138.840 0.300 . 1 . . . . 24 HIS CE1 . 10184 1 202 . 1 1 24 24 HIS HE1 H 1 7.806 0.030 . 1 . . . . 24 HIS HE1 . 10184 1 203 . 1 1 24 24 HIS C C 13 175.494 0.300 . 1 . . . . 24 HIS C . 10184 1 204 . 1 1 24 24 HIS HB2 H 1 3.173 0.030 . 2 . . . . 24 HIS HB2 . 10184 1 205 . 1 1 25 25 LYS N N 15 127.606 0.300 . 1 . . . . 25 LYS N . 10184 1 206 . 1 1 25 25 LYS H H 1 8.431 0.030 . 1 . . . . 25 LYS H . 10184 1 207 . 1 1 25 25 LYS CA C 13 59.580 0.300 . 1 . . . . 25 LYS CA . 10184 1 208 . 1 1 25 25 LYS HA H 1 2.970 0.030 . 1 . . . . 25 LYS HA . 10184 1 209 . 1 1 25 25 LYS CB C 13 31.932 0.300 . 1 . . . . 25 LYS CB . 10184 1 210 . 1 1 25 25 LYS HB3 H 1 1.087 0.030 . 2 . . . . 25 LYS HB3 . 10184 1 211 . 1 1 25 25 LYS CG C 13 24.892 0.300 . 1 . . . . 25 LYS CG . 10184 1 212 . 1 1 25 25 LYS HG3 H 1 1.239 0.030 . 2 . . . . 25 LYS HG3 . 10184 1 213 . 1 1 25 25 LYS CD C 13 29.206 0.300 . 1 . . . . 25 LYS CD . 10184 1 214 . 1 1 25 25 LYS HD3 H 1 1.546 0.030 . 2 . . . . 25 LYS HD3 . 10184 1 215 . 1 1 25 25 LYS CE C 13 42.078 0.300 . 1 . . . . 25 LYS CE . 10184 1 216 . 1 1 25 25 LYS C C 13 178.019 0.300 . 1 . . . . 25 LYS C . 10184 1 217 . 1 1 25 25 LYS HB2 H 1 1.463 0.030 . 2 . . . . 25 LYS HB2 . 10184 1 218 . 1 1 25 25 LYS HD2 H 1 1.585 0.030 . 2 . . . . 25 LYS HD2 . 10184 1 219 . 1 1 25 25 LYS HE2 H 1 2.972 0.030 . 2 . . . . 25 LYS HE2 . 10184 1 220 . 1 1 25 25 LYS HG2 H 1 1.007 0.030 . 2 . . . . 25 LYS HG2 . 10184 1 221 . 1 1 26 26 THR N N 15 111.783 0.300 . 1 . . . . 26 THR N . 10184 1 222 . 1 1 26 26 THR H H 1 8.670 0.030 . 1 . . . . 26 THR H . 10184 1 223 . 1 1 26 26 THR CA C 13 65.774 0.300 . 1 . . . . 26 THR CA . 10184 1 224 . 1 1 26 26 THR HA H 1 3.753 0.030 . 1 . . . . 26 THR HA . 10184 1 225 . 1 1 26 26 THR CB C 13 68.322 0.300 . 1 . . . . 26 THR CB . 10184 1 226 . 1 1 26 26 THR HB H 1 4.004 0.030 . 1 . . . . 26 THR HB . 10184 1 227 . 1 1 26 26 THR CG2 C 13 22.261 0.300 . 1 . . . . 26 THR CG2 . 10184 1 228 . 1 1 26 26 THR HG21 H 1 1.207 0.030 . 1 . . . . 26 THR HG2 . 10184 1 229 . 1 1 26 26 THR HG22 H 1 1.207 0.030 . 1 . . . . 26 THR HG2 . 10184 1 230 . 1 1 26 26 THR HG23 H 1 1.207 0.030 . 1 . . . . 26 THR HG2 . 10184 1 231 . 1 1 26 26 THR C C 13 176.052 0.300 . 1 . . . . 26 THR C . 10184 1 232 . 1 1 27 27 ASN N N 15 116.833 0.300 . 1 . . . . 27 ASN N . 10184 1 233 . 1 1 27 27 ASN H H 1 6.988 0.030 . 1 . . . . 27 ASN H . 10184 1 234 . 1 1 27 27 ASN CA C 13 55.638 0.300 . 1 . . . . 27 ASN CA . 10184 1 235 . 1 1 27 27 ASN HA H 1 4.441 0.030 . 1 . . . . 27 ASN HA . 10184 1 236 . 1 1 27 27 ASN CB C 13 38.215 0.300 . 1 . . . . 27 ASN CB . 10184 1 237 . 1 1 27 27 ASN HB3 H 1 2.964 0.030 . 1 . . . . 27 ASN HB3 . 10184 1 238 . 1 1 27 27 ASN ND2 N 15 113.074 0.300 . 1 . . . . 27 ASN ND2 . 10184 1 239 . 1 1 27 27 ASN HD21 H 1 7.188 0.030 . 2 . . . . 27 ASN HD21 . 10184 1 240 . 1 1 27 27 ASN HD22 H 1 8.049 0.030 . 2 . . . . 27 ASN HD22 . 10184 1 241 . 1 1 27 27 ASN C C 13 177.347 0.300 . 1 . . . . 27 ASN C . 10184 1 242 . 1 1 27 27 ASN HB2 H 1 2.964 0.030 . 1 . . . . 27 ASN HB2 . 10184 1 243 . 1 1 28 28 LEU N N 15 122.994 0.300 . 1 . . . . 28 LEU N . 10184 1 244 . 1 1 28 28 LEU H H 1 6.999 0.030 . 1 . . . . 28 LEU H . 10184 1 245 . 1 1 28 28 LEU CA C 13 57.966 0.300 . 1 . . . . 28 LEU CA . 10184 1 246 . 1 1 28 28 LEU HA H 1 2.973 0.030 . 1 . . . . 28 LEU HA . 10184 1 247 . 1 1 28 28 LEU CB C 13 40.441 0.300 . 1 . . . . 28 LEU CB . 10184 1 248 . 1 1 28 28 LEU HB3 H 1 1.085 0.030 . 2 . . . . 28 LEU HB3 . 10184 1 249 . 1 1 28 28 LEU CG C 13 27.444 0.300 . 1 . . . . 28 LEU CG . 10184 1 250 . 1 1 28 28 LEU HG H 1 1.449 0.030 . 1 . . . . 28 LEU HG . 10184 1 251 . 1 1 28 28 LEU CD1 C 13 26.586 0.300 . 2 . . . . 28 LEU CD1 . 10184 1 252 . 1 1 28 28 LEU HD11 H 1 0.986 0.030 . 1 . . . . 28 LEU HD1 . 10184 1 253 . 1 1 28 28 LEU HD12 H 1 0.986 0.030 . 1 . . . . 28 LEU HD1 . 10184 1 254 . 1 1 28 28 LEU HD13 H 1 0.986 0.030 . 1 . . . . 28 LEU HD1 . 10184 1 255 . 1 1 28 28 LEU CD2 C 13 22.992 0.300 . 2 . . . . 28 LEU CD2 . 10184 1 256 . 1 1 28 28 LEU HD21 H 1 0.954 0.030 . 1 . . . . 28 LEU HD2 . 10184 1 257 . 1 1 28 28 LEU HD22 H 1 0.954 0.030 . 1 . . . . 28 LEU HD2 . 10184 1 258 . 1 1 28 28 LEU HD23 H 1 0.954 0.030 . 1 . . . . 28 LEU HD2 . 10184 1 259 . 1 1 28 28 LEU C C 13 177.008 0.300 . 1 . . . . 28 LEU C . 10184 1 260 . 1 1 28 28 LEU HB2 H 1 1.997 0.030 . 2 . . . . 28 LEU HB2 . 10184 1 261 . 1 1 29 29 ILE N N 15 119.568 0.300 . 1 . . . . 29 ILE N . 10184 1 262 . 1 1 29 29 ILE H H 1 7.936 0.030 . 1 . . . . 29 ILE H . 10184 1 263 . 1 1 29 29 ILE CA C 13 64.632 0.300 . 1 . . . . 29 ILE CA . 10184 1 264 . 1 1 29 29 ILE HA H 1 3.709 0.030 . 1 . . . . 29 ILE HA . 10184 1 265 . 1 1 29 29 ILE CB C 13 37.474 0.300 . 1 . . . . 29 ILE CB . 10184 1 266 . 1 1 29 29 ILE HB H 1 1.865 0.030 . 1 . . . . 29 ILE HB . 10184 1 267 . 1 1 29 29 ILE CG1 C 13 28.738 0.300 . 1 . . . . 29 ILE CG1 . 10184 1 268 . 1 1 29 29 ILE HG13 H 1 1.533 0.030 . 2 . . . . 29 ILE HG13 . 10184 1 269 . 1 1 29 29 ILE CG2 C 13 17.230 0.300 . 1 . . . . 29 ILE CG2 . 10184 1 270 . 1 1 29 29 ILE HG21 H 1 0.869 0.030 . 1 . . . . 29 ILE HG2 . 10184 1 271 . 1 1 29 29 ILE HG22 H 1 0.869 0.030 . 1 . . . . 29 ILE HG2 . 10184 1 272 . 1 1 29 29 ILE HG23 H 1 0.869 0.030 . 1 . . . . 29 ILE HG2 . 10184 1 273 . 1 1 29 29 ILE CD1 C 13 12.669 0.300 . 1 . . . . 29 ILE CD1 . 10184 1 274 . 1 1 29 29 ILE HD11 H 1 0.762 0.030 . 1 . . . . 29 ILE HD1 . 10184 1 275 . 1 1 29 29 ILE HD12 H 1 0.762 0.030 . 1 . . . . 29 ILE HD1 . 10184 1 276 . 1 1 29 29 ILE HD13 H 1 0.762 0.030 . 1 . . . . 29 ILE HD1 . 10184 1 277 . 1 1 29 29 ILE C C 13 179.171 0.300 . 1 . . . . 29 ILE C . 10184 1 278 . 1 1 29 29 ILE HG12 H 1 1.210 0.030 . 2 . . . . 29 ILE HG12 . 10184 1 279 . 1 1 30 30 ILE N N 15 119.207 0.300 . 1 . . . . 30 ILE N . 10184 1 280 . 1 1 30 30 ILE H H 1 7.589 0.030 . 1 . . . . 30 ILE H . 10184 1 281 . 1 1 30 30 ILE CA C 13 64.891 0.300 . 1 . . . . 30 ILE CA . 10184 1 282 . 1 1 30 30 ILE HA H 1 3.617 0.030 . 1 . . . . 30 ILE HA . 10184 1 283 . 1 1 30 30 ILE CB C 13 38.513 0.300 . 1 . . . . 30 ILE CB . 10184 1 284 . 1 1 30 30 ILE HB H 1 1.713 0.030 . 1 . . . . 30 ILE HB . 10184 1 285 . 1 1 30 30 ILE CG1 C 13 29.171 0.300 . 1 . . . . 30 ILE CG1 . 10184 1 286 . 1 1 30 30 ILE HG13 H 1 1.694 0.030 . 2 . . . . 30 ILE HG13 . 10184 1 287 . 1 1 30 30 ILE CG2 C 13 17.260 0.300 . 1 . . . . 30 ILE CG2 . 10184 1 288 . 1 1 30 30 ILE HG21 H 1 0.903 0.030 . 1 . . . . 30 ILE HG2 . 10184 1 289 . 1 1 30 30 ILE HG22 H 1 0.903 0.030 . 1 . . . . 30 ILE HG2 . 10184 1 290 . 1 1 30 30 ILE HG23 H 1 0.903 0.030 . 1 . . . . 30 ILE HG2 . 10184 1 291 . 1 1 30 30 ILE CD1 C 13 12.966 0.300 . 1 . . . . 30 ILE CD1 . 10184 1 292 . 1 1 30 30 ILE HD11 H 1 0.820 0.030 . 1 . . . . 30 ILE HD1 . 10184 1 293 . 1 1 30 30 ILE HD12 H 1 0.820 0.030 . 1 . . . . 30 ILE HD1 . 10184 1 294 . 1 1 30 30 ILE HD13 H 1 0.820 0.030 . 1 . . . . 30 ILE HD1 . 10184 1 295 . 1 1 30 30 ILE C C 13 178.757 0.300 . 1 . . . . 30 ILE C . 10184 1 296 . 1 1 30 30 ILE HG12 H 1 1.157 0.030 . 2 . . . . 30 ILE HG12 . 10184 1 297 . 1 1 31 31 HIS N N 15 119.828 0.300 . 1 . . . . 31 HIS N . 10184 1 298 . 1 1 31 31 HIS H H 1 7.534 0.030 . 1 . . . . 31 HIS H . 10184 1 299 . 1 1 31 31 HIS CA C 13 59.278 0.300 . 1 . . . . 31 HIS CA . 10184 1 300 . 1 1 31 31 HIS HA H 1 4.193 0.030 . 1 . . . . 31 HIS HA . 10184 1 301 . 1 1 31 31 HIS CB C 13 28.635 0.300 . 1 . . . . 31 HIS CB . 10184 1 302 . 1 1 31 31 HIS HB3 H 1 3.152 0.030 . 2 . . . . 31 HIS HB3 . 10184 1 303 . 1 1 31 31 HIS CD2 C 13 127.324 0.300 . 1 . . . . 31 HIS CD2 . 10184 1 304 . 1 1 31 31 HIS HD2 H 1 6.944 0.030 . 1 . . . . 31 HIS HD2 . 10184 1 305 . 1 1 31 31 HIS CE1 C 13 139.571 0.300 . 1 . . . . 31 HIS CE1 . 10184 1 306 . 1 1 31 31 HIS HE1 H 1 8.048 0.030 . 1 . . . . 31 HIS HE1 . 10184 1 307 . 1 1 31 31 HIS C C 13 176.316 0.300 . 1 . . . . 31 HIS C . 10184 1 308 . 1 1 31 31 HIS HB2 H 1 2.986 0.030 . 2 . . . . 31 HIS HB2 . 10184 1 309 . 1 1 32 32 GLN N N 15 115.270 0.300 . 1 . . . . 32 GLN N . 10184 1 310 . 1 1 32 32 GLN H H 1 8.431 0.030 . 1 . . . . 32 GLN H . 10184 1 311 . 1 1 32 32 GLN CA C 13 59.504 0.300 . 1 . . . . 32 GLN CA . 10184 1 312 . 1 1 32 32 GLN HA H 1 3.661 0.030 . 1 . . . . 32 GLN HA . 10184 1 313 . 1 1 32 32 GLN CB C 13 28.316 0.300 . 1 . . . . 32 GLN CB . 10184 1 314 . 1 1 32 32 GLN HB3 H 1 2.326 0.030 . 2 . . . . 32 GLN HB3 . 10184 1 315 . 1 1 32 32 GLN CG C 13 35.648 0.300 . 1 . . . . 32 GLN CG . 10184 1 316 . 1 1 32 32 GLN HG3 H 1 2.878 0.030 . 2 . . . . 32 GLN HG3 . 10184 1 317 . 1 1 32 32 GLN NE2 N 15 111.775 0.300 . 1 . . . . 32 GLN NE2 . 10184 1 318 . 1 1 32 32 GLN HE21 H 1 7.631 0.030 . 2 . . . . 32 GLN HE21 . 10184 1 319 . 1 1 32 32 GLN HE22 H 1 6.913 0.030 . 2 . . . . 32 GLN HE22 . 10184 1 320 . 1 1 32 32 GLN C C 13 177.585 0.300 . 1 . . . . 32 GLN C . 10184 1 321 . 1 1 32 32 GLN HB2 H 1 2.194 0.030 . 2 . . . . 32 GLN HB2 . 10184 1 322 . 1 1 32 32 GLN HG2 H 1 2.798 0.030 . 2 . . . . 32 GLN HG2 . 10184 1 323 . 1 1 33 33 LYS N N 15 117.874 0.300 . 1 . . . . 33 LYS N . 10184 1 324 . 1 1 33 33 LYS H H 1 7.208 0.030 . 1 . . . . 33 LYS H . 10184 1 325 . 1 1 33 33 LYS CA C 13 58.591 0.300 . 1 . . . . 33 LYS CA . 10184 1 326 . 1 1 33 33 LYS HA H 1 4.110 0.030 . 1 . . . . 33 LYS HA . 10184 1 327 . 1 1 33 33 LYS CB C 13 32.257 0.300 . 1 . . . . 33 LYS CB . 10184 1 328 . 1 1 33 33 LYS HB3 H 1 1.839 0.030 . 1 . . . . 33 LYS HB3 . 10184 1 329 . 1 1 33 33 LYS CG C 13 25.287 0.300 . 1 . . . . 33 LYS CG . 10184 1 330 . 1 1 33 33 LYS HG3 H 1 1.673 0.030 . 2 . . . . 33 LYS HG3 . 10184 1 331 . 1 1 33 33 LYS CD C 13 29.151 0.300 . 1 . . . . 33 LYS CD . 10184 1 332 . 1 1 33 33 LYS HD3 H 1 1.686 0.030 . 1 . . . . 33 LYS HD3 . 10184 1 333 . 1 1 33 33 LYS CE C 13 42.173 0.300 . 1 . . . . 33 LYS CE . 10184 1 334 . 1 1 33 33 LYS HE3 H 1 2.924 0.030 . 2 . . . . 33 LYS HE3 . 10184 1 335 . 1 1 33 33 LYS C C 13 178.936 0.300 . 1 . . . . 33 LYS C . 10184 1 336 . 1 1 33 33 LYS HB2 H 1 1.839 0.030 . 1 . . . . 33 LYS HB2 . 10184 1 337 . 1 1 33 33 LYS HD2 H 1 1.686 0.030 . 1 . . . . 33 LYS HD2 . 10184 1 338 . 1 1 33 33 LYS HE2 H 1 2.967 0.030 . 2 . . . . 33 LYS HE2 . 10184 1 339 . 1 1 33 33 LYS HG2 H 1 1.476 0.030 . 2 . . . . 33 LYS HG2 . 10184 1 340 . 1 1 34 34 ILE N N 15 116.468 0.300 . 1 . . . . 34 ILE N . 10184 1 341 . 1 1 34 34 ILE H H 1 7.885 0.030 . 1 . . . . 34 ILE H . 10184 1 342 . 1 1 34 34 ILE CA C 13 63.144 0.300 . 1 . . . . 34 ILE CA . 10184 1 343 . 1 1 34 34 ILE HA H 1 3.968 0.030 . 1 . . . . 34 ILE HA . 10184 1 344 . 1 1 34 34 ILE CB C 13 37.733 0.300 . 1 . . . . 34 ILE CB . 10184 1 345 . 1 1 34 34 ILE HB H 1 1.673 0.030 . 1 . . . . 34 ILE HB . 10184 1 346 . 1 1 34 34 ILE CG1 C 13 26.765 0.300 . 1 . . . . 34 ILE CG1 . 10184 1 347 . 1 1 34 34 ILE HG13 H 1 0.933 0.030 . 2 . . . . 34 ILE HG13 . 10184 1 348 . 1 1 34 34 ILE CG2 C 13 16.459 0.300 . 1 . . . . 34 ILE CG2 . 10184 1 349 . 1 1 34 34 ILE HG21 H 1 0.579 0.030 . 1 . . . . 34 ILE HG2 . 10184 1 350 . 1 1 34 34 ILE HG22 H 1 0.579 0.030 . 1 . . . . 34 ILE HG2 . 10184 1 351 . 1 1 34 34 ILE HG23 H 1 0.579 0.030 . 1 . . . . 34 ILE HG2 . 10184 1 352 . 1 1 34 34 ILE CD1 C 13 14.404 0.300 . 1 . . . . 34 ILE CD1 . 10184 1 353 . 1 1 34 34 ILE HD11 H 1 0.710 0.030 . 1 . . . . 34 ILE HD1 . 10184 1 354 . 1 1 34 34 ILE HD12 H 1 0.710 0.030 . 1 . . . . 34 ILE HD1 . 10184 1 355 . 1 1 34 34 ILE HD13 H 1 0.710 0.030 . 1 . . . . 34 ILE HD1 . 10184 1 356 . 1 1 34 34 ILE C C 13 177.569 0.300 . 1 . . . . 34 ILE C . 10184 1 357 . 1 1 34 34 ILE HG12 H 1 0.794 0.030 . 2 . . . . 34 ILE HG12 . 10184 1 358 . 1 1 35 35 HIS N N 15 117.615 0.300 . 1 . . . . 35 HIS N . 10184 1 359 . 1 1 35 35 HIS H H 1 7.189 0.030 . 1 . . . . 35 HIS H . 10184 1 360 . 1 1 35 35 HIS CA C 13 55.293 0.300 . 1 . . . . 35 HIS CA . 10184 1 361 . 1 1 35 35 HIS HA H 1 4.851 0.030 . 1 . . . . 35 HIS HA . 10184 1 362 . 1 1 35 35 HIS CB C 13 28.494 0.300 . 1 . . . . 35 HIS CB . 10184 1 363 . 1 1 35 35 HIS HB3 H 1 3.233 0.030 . 2 . . . . 35 HIS HB3 . 10184 1 364 . 1 1 35 35 HIS CD2 C 13 127.636 0.300 . 1 . . . . 35 HIS CD2 . 10184 1 365 . 1 1 35 35 HIS HD2 H 1 6.731 0.030 . 1 . . . . 35 HIS HD2 . 10184 1 366 . 1 1 35 35 HIS CE1 C 13 140.126 0.300 . 1 . . . . 35 HIS CE1 . 10184 1 367 . 1 1 35 35 HIS HE1 H 1 8.075 0.030 . 1 . . . . 35 HIS HE1 . 10184 1 368 . 1 1 35 35 HIS C C 13 175.810 0.300 . 1 . . . . 35 HIS C . 10184 1 369 . 1 1 35 35 HIS HB2 H 1 3.350 0.030 . 2 . . . . 35 HIS HB2 . 10184 1 370 . 1 1 36 36 THR N N 15 111.886 0.300 . 1 . . . . 36 THR N . 10184 1 371 . 1 1 36 36 THR H H 1 7.768 0.030 . 1 . . . . 36 THR H . 10184 1 372 . 1 1 36 36 THR CA C 13 62.648 0.300 . 1 . . . . 36 THR CA . 10184 1 373 . 1 1 36 36 THR HA H 1 4.341 0.030 . 1 . . . . 36 THR HA . 10184 1 374 . 1 1 36 36 THR CB C 13 69.832 0.300 . 1 . . . . 36 THR CB . 10184 1 375 . 1 1 36 36 THR HB H 1 4.325 0.030 . 1 . . . . 36 THR HB . 10184 1 376 . 1 1 36 36 THR CG2 C 13 21.628 0.300 . 1 . . . . 36 THR CG2 . 10184 1 377 . 1 1 36 36 THR HG21 H 1 1.240 0.030 . 1 . . . . 36 THR HG2 . 10184 1 378 . 1 1 36 36 THR HG22 H 1 1.240 0.030 . 1 . . . . 36 THR HG2 . 10184 1 379 . 1 1 36 36 THR HG23 H 1 1.240 0.030 . 1 . . . . 36 THR HG2 . 10184 1 380 . 1 1 36 36 THR C C 13 175.433 0.300 . 1 . . . . 36 THR C . 10184 1 381 . 1 1 37 37 GLY N N 15 110.507 0.300 . 1 . . . . 37 GLY N . 10184 1 382 . 1 1 37 37 GLY H H 1 8.214 0.030 . 1 . . . . 37 GLY H . 10184 1 383 . 1 1 37 37 GLY CA C 13 45.365 0.300 . 1 . . . . 37 GLY CA . 10184 1 384 . 1 1 37 37 GLY HA3 H 1 4.013 0.030 . 2 . . . . 37 GLY HA3 . 10184 1 385 . 1 1 37 37 GLY C C 13 174.057 0.300 . 1 . . . . 37 GLY C . 10184 1 386 . 1 1 37 37 GLY HA2 H 1 3.972 0.030 . 2 . . . . 37 GLY HA2 . 10184 1 387 . 1 1 38 38 GLU N N 15 120.478 0.300 . 1 . . . . 38 GLU N . 10184 1 388 . 1 1 38 38 GLU H H 1 8.114 0.030 . 1 . . . . 38 GLU H . 10184 1 389 . 1 1 38 38 GLU CA C 13 56.517 0.300 . 1 . . . . 38 GLU CA . 10184 1 390 . 1 1 38 38 GLU HA H 1 4.258 0.030 . 1 . . . . 38 GLU HA . 10184 1 391 . 1 1 38 38 GLU CB C 13 30.505 0.300 . 1 . . . . 38 GLU CB . 10184 1 392 . 1 1 38 38 GLU HB3 H 1 1.924 0.030 . 2 . . . . 38 GLU HB3 . 10184 1 393 . 1 1 38 38 GLU CG C 13 36.287 0.300 . 1 . . . . 38 GLU CG . 10184 1 394 . 1 1 38 38 GLU HG3 H 1 2.218 0.030 . 2 . . . . 38 GLU HG3 . 10184 1 395 . 1 1 38 38 GLU C C 13 176.260 0.300 . 1 . . . . 38 GLU C . 10184 1 396 . 1 1 38 38 GLU HB2 H 1 2.001 0.030 . 2 . . . . 38 GLU HB2 . 10184 1 397 . 1 1 38 38 GLU HG2 H 1 2.279 0.030 . 2 . . . . 38 GLU HG2 . 10184 1 398 . 1 1 39 39 ARG N N 15 123.108 0.300 . 1 . . . . 39 ARG N . 10184 1 399 . 1 1 39 39 ARG H H 1 8.347 0.030 . 1 . . . . 39 ARG H . 10184 1 400 . 1 1 39 39 ARG CA C 13 53.836 0.300 . 1 . . . . 39 ARG CA . 10184 1 401 . 1 1 39 39 ARG HA H 1 4.641 0.030 . 1 . . . . 39 ARG HA . 10184 1 402 . 1 1 39 39 ARG CB C 13 30.295 0.300 . 1 . . . . 39 ARG CB . 10184 1 403 . 1 1 39 39 ARG HB3 H 1 1.838 0.030 . 2 . . . . 39 ARG HB3 . 10184 1 404 . 1 1 39 39 ARG CG C 13 26.781 0.300 . 1 . . . . 39 ARG CG . 10184 1 405 . 1 1 39 39 ARG HG3 H 1 1.669 0.030 . 1 . . . . 39 ARG HG3 . 10184 1 406 . 1 1 39 39 ARG CD C 13 43.389 0.300 . 1 . . . . 39 ARG CD . 10184 1 407 . 1 1 39 39 ARG HD3 H 1 3.208 0.030 . 1 . . . . 39 ARG HD3 . 10184 1 408 . 1 1 39 39 ARG C C 13 174.196 0.300 . 1 . . . . 39 ARG C . 10184 1 409 . 1 1 39 39 ARG HB2 H 1 1.734 0.030 . 2 . . . . 39 ARG HB2 . 10184 1 410 . 1 1 39 39 ARG HD2 H 1 3.208 0.030 . 1 . . . . 39 ARG HD2 . 10184 1 411 . 1 1 39 39 ARG HG2 H 1 1.669 0.030 . 1 . . . . 39 ARG HG2 . 10184 1 412 . 1 1 40 40 PRO CA C 13 63.247 0.300 . 1 . . . . 40 PRO CA . 10184 1 413 . 1 1 40 40 PRO HA H 1 4.475 0.030 . 1 . . . . 40 PRO HA . 10184 1 414 . 1 1 40 40 PRO CB C 13 32.174 0.300 . 1 . . . . 40 PRO CB . 10184 1 415 . 1 1 40 40 PRO HB3 H 1 1.942 0.030 . 2 . . . . 40 PRO HB3 . 10184 1 416 . 1 1 40 40 PRO CG C 13 27.367 0.300 . 1 . . . . 40 PRO CG . 10184 1 417 . 1 1 40 40 PRO HG3 H 1 2.022 0.030 . 1 . . . . 40 PRO HG3 . 10184 1 418 . 1 1 40 40 PRO CD C 13 50.675 0.300 . 1 . . . . 40 PRO CD . 10184 1 419 . 1 1 40 40 PRO HD3 H 1 3.636 0.030 . 2 . . . . 40 PRO HD3 . 10184 1 420 . 1 1 40 40 PRO HB2 H 1 2.315 0.030 . 2 . . . . 40 PRO HB2 . 10184 1 421 . 1 1 40 40 PRO HD2 H 1 3.808 0.030 . 2 . . . . 40 PRO HD2 . 10184 1 422 . 1 1 40 40 PRO HG2 H 1 2.022 0.030 . 1 . . . . 40 PRO HG2 . 10184 1 423 . 1 1 41 41 SER N N 15 116.362 0.300 . 1 . . . . 41 SER N . 10184 1 424 . 1 1 41 41 SER H H 1 8.471 0.030 . 1 . . . . 41 SER H . 10184 1 425 . 1 1 41 41 SER CA C 13 58.579 0.300 . 1 . . . . 41 SER CA . 10184 1 426 . 1 1 41 41 SER HA H 1 4.503 0.030 . 1 . . . . 41 SER HA . 10184 1 427 . 1 1 41 41 SER CB C 13 63.945 0.300 . 1 . . . . 41 SER CB . 10184 1 428 . 1 1 41 41 SER HB3 H 1 3.902 0.030 . 1 . . . . 41 SER HB3 . 10184 1 429 . 1 1 41 41 SER HB2 H 1 3.902 0.030 . 1 . . . . 41 SER HB2 . 10184 1 430 . 1 1 42 42 GLY CA C 13 44.665 0.300 . 1 . . . . 42 GLY CA . 10184 1 431 . 1 1 42 42 GLY HA3 H 1 4.158 0.030 . 2 . . . . 42 GLY HA3 . 10184 1 432 . 1 1 42 42 GLY HA2 H 1 4.116 0.030 . 2 . . . . 42 GLY HA2 . 10184 1 433 . 1 1 43 43 PRO CA C 13 63.255 0.300 . 1 . . . . 43 PRO CA . 10184 1 434 . 1 1 43 43 PRO HA H 1 4.474 0.030 . 1 . . . . 43 PRO HA . 10184 1 435 . 1 1 43 43 PRO CB C 13 32.218 0.300 . 1 . . . . 43 PRO CB . 10184 1 436 . 1 1 43 43 PRO HB3 H 1 1.977 0.030 . 2 . . . . 43 PRO HB3 . 10184 1 437 . 1 1 43 43 PRO CG C 13 27.152 0.300 . 1 . . . . 43 PRO CG . 10184 1 438 . 1 1 43 43 PRO HG3 H 1 2.020 0.030 . 1 . . . . 43 PRO HG3 . 10184 1 439 . 1 1 43 43 PRO CD C 13 49.807 0.300 . 1 . . . . 43 PRO CD . 10184 1 440 . 1 1 43 43 PRO HD3 H 1 3.629 0.030 . 1 . . . . 43 PRO HD3 . 10184 1 441 . 1 1 43 43 PRO HB2 H 1 2.300 0.030 . 2 . . . . 43 PRO HB2 . 10184 1 442 . 1 1 43 43 PRO HD2 H 1 3.629 0.030 . 1 . . . . 43 PRO HD2 . 10184 1 443 . 1 1 43 43 PRO HG2 H 1 2.020 0.030 . 1 . . . . 43 PRO HG2 . 10184 1 444 . 1 1 45 45 SER CA C 13 58.342 0.300 . 1 . . . . 45 SER CA . 10184 1 445 . 1 1 45 45 SER HA H 1 4.495 0.030 . 1 . . . . 45 SER HA . 10184 1 446 . 1 1 45 45 SER CB C 13 63.915 0.300 . 1 . . . . 45 SER CB . 10184 1 447 . 1 1 45 45 SER C C 13 173.905 0.300 . 1 . . . . 45 SER C . 10184 1 448 . 1 1 45 45 SER HB2 H 1 3.906 0.030 . 2 . . . . 45 SER HB2 . 10184 1 449 . 1 1 46 46 GLY N N 15 116.854 0.300 . 1 . . . . 46 GLY N . 10184 1 450 . 1 1 46 46 GLY H H 1 8.042 0.030 . 1 . . . . 46 GLY H . 10184 1 451 . 1 1 46 46 GLY CA C 13 46.219 0.300 . 1 . . . . 46 GLY CA . 10184 1 452 . 1 1 46 46 GLY HA3 H 1 3.750 0.030 . 2 . . . . 46 GLY HA3 . 10184 1 453 . 1 1 46 46 GLY C C 13 178.995 0.300 . 1 . . . . 46 GLY C . 10184 1 454 . 1 1 46 46 GLY HA2 H 1 3.798 0.030 . 2 . . . . 46 GLY HA2 . 10184 1 stop_ save_