################################### # 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 10309 _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 10309 1 2 '3D 15N-separated NOESY' 1 $sample_1 isotropic 10309 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 HA2 H 1 4.037 0.030 . 1 . . . . 7 GLY HA2 . 10309 1 2 . 1 1 7 7 GLY HA3 H 1 4.037 0.030 . 1 . . . . 7 GLY HA3 . 10309 1 3 . 1 1 7 7 GLY C C 13 174.521 0.300 . 1 . . . . 7 GLY C . 10309 1 4 . 1 1 7 7 GLY CA C 13 45.441 0.300 . 1 . . . . 7 GLY CA . 10309 1 5 . 1 1 8 8 THR H H 1 8.156 0.030 . 1 . . . . 8 THR H . 10309 1 6 . 1 1 8 8 THR HA H 1 4.367 0.030 . 1 . . . . 8 THR HA . 10309 1 7 . 1 1 8 8 THR HB H 1 4.296 0.030 . 1 . . . . 8 THR HB . 10309 1 8 . 1 1 8 8 THR HG21 H 1 1.189 0.030 . 1 . . . . 8 THR HG2 . 10309 1 9 . 1 1 8 8 THR HG22 H 1 1.189 0.030 . 1 . . . . 8 THR HG2 . 10309 1 10 . 1 1 8 8 THR HG23 H 1 1.189 0.030 . 1 . . . . 8 THR HG2 . 10309 1 11 . 1 1 8 8 THR C C 13 175.252 0.300 . 1 . . . . 8 THR C . 10309 1 12 . 1 1 8 8 THR CA C 13 61.883 0.300 . 1 . . . . 8 THR CA . 10309 1 13 . 1 1 8 8 THR CB C 13 69.839 0.300 . 1 . . . . 8 THR CB . 10309 1 14 . 1 1 8 8 THR CG2 C 13 21.513 0.300 . 1 . . . . 8 THR CG2 . 10309 1 15 . 1 1 8 8 THR N N 15 112.844 0.300 . 1 . . . . 8 THR N . 10309 1 16 . 1 1 9 9 GLY H H 1 8.446 0.030 . 1 . . . . 9 GLY H . 10309 1 17 . 1 1 9 9 GLY HA2 H 1 3.921 0.030 . 2 . . . . 9 GLY HA2 . 10309 1 18 . 1 1 9 9 GLY HA3 H 1 3.979 0.030 . 2 . . . . 9 GLY HA3 . 10309 1 19 . 1 1 9 9 GLY C C 13 174.024 0.300 . 1 . . . . 9 GLY C . 10309 1 20 . 1 1 9 9 GLY CA C 13 45.274 0.300 . 1 . . . . 9 GLY CA . 10309 1 21 . 1 1 9 9 GLY N N 15 111.009 0.300 . 1 . . . . 9 GLY N . 10309 1 22 . 1 1 10 10 GLU H H 1 8.219 0.030 . 1 . . . . 10 GLU H . 10309 1 23 . 1 1 10 10 GLU HA H 1 4.204 0.030 . 1 . . . . 10 GLU HA . 10309 1 24 . 1 1 10 10 GLU HB2 H 1 1.891 0.030 . 2 . . . . 10 GLU HB2 . 10309 1 25 . 1 1 10 10 GLU HB3 H 1 1.998 0.030 . 2 . . . . 10 GLU HB3 . 10309 1 26 . 1 1 10 10 GLU HG2 H 1 2.206 0.030 . 2 . . . . 10 GLU HG2 . 10309 1 27 . 1 1 10 10 GLU HG3 H 1 2.259 0.030 . 2 . . . . 10 GLU HG3 . 10309 1 28 . 1 1 10 10 GLU C C 13 176.306 0.300 . 1 . . . . 10 GLU C . 10309 1 29 . 1 1 10 10 GLU CA C 13 56.756 0.300 . 1 . . . . 10 GLU CA . 10309 1 30 . 1 1 10 10 GLU CB C 13 30.472 0.300 . 1 . . . . 10 GLU CB . 10309 1 31 . 1 1 10 10 GLU CG C 13 36.315 0.300 . 1 . . . . 10 GLU CG . 10309 1 32 . 1 1 10 10 GLU N N 15 120.440 0.300 . 1 . . . . 10 GLU N . 10309 1 33 . 1 1 11 11 LYS H H 1 8.269 0.030 . 1 . . . . 11 LYS H . 10309 1 34 . 1 1 11 11 LYS HA H 1 4.512 0.030 . 1 . . . . 11 LYS HA . 10309 1 35 . 1 1 11 11 LYS HB2 H 1 1.562 0.030 . 2 . . . . 11 LYS HB2 . 10309 1 36 . 1 1 11 11 LYS HB3 H 1 1.508 0.030 . 2 . . . . 11 LYS HB3 . 10309 1 37 . 1 1 11 11 LYS HD2 H 1 1.508 0.030 . 1 . . . . 11 LYS HD2 . 10309 1 38 . 1 1 11 11 LYS HD3 H 1 1.508 0.030 . 1 . . . . 11 LYS HD3 . 10309 1 39 . 1 1 11 11 LYS HE2 H 1 2.903 0.030 . 1 . . . . 11 LYS HE2 . 10309 1 40 . 1 1 11 11 LYS HE3 H 1 2.903 0.030 . 1 . . . . 11 LYS HE3 . 10309 1 41 . 1 1 11 11 LYS HG2 H 1 1.256 0.030 . 2 . . . . 11 LYS HG2 . 10309 1 42 . 1 1 11 11 LYS HG3 H 1 1.316 0.030 . 2 . . . . 11 LYS HG3 . 10309 1 43 . 1 1 11 11 LYS C C 13 173.990 0.300 . 1 . . . . 11 LYS C . 10309 1 44 . 1 1 11 11 LYS CA C 13 53.883 0.300 . 1 . . . . 11 LYS CA . 10309 1 45 . 1 1 11 11 LYS CB C 13 33.059 0.300 . 1 . . . . 11 LYS CB . 10309 1 46 . 1 1 11 11 LYS CD C 13 29.469 0.300 . 1 . . . . 11 LYS CD . 10309 1 47 . 1 1 11 11 LYS CE C 13 42.292 0.300 . 1 . . . . 11 LYS CE . 10309 1 48 . 1 1 11 11 LYS CG C 13 24.702 0.300 . 1 . . . . 11 LYS CG . 10309 1 49 . 1 1 11 11 LYS N N 15 122.187 0.300 . 1 . . . . 11 LYS N . 10309 1 50 . 1 1 12 12 PRO HA H 1 4.294 0.030 . 1 . . . . 12 PRO HA . 10309 1 51 . 1 1 12 12 PRO HB2 H 1 2.017 0.030 . 2 . . . . 12 PRO HB2 . 10309 1 52 . 1 1 12 12 PRO HB3 H 1 1.292 0.030 . 2 . . . . 12 PRO HB3 . 10309 1 53 . 1 1 12 12 PRO HD2 H 1 3.628 0.030 . 1 . . . . 12 PRO HD2 . 10309 1 54 . 1 1 12 12 PRO HD3 H 1 3.628 0.030 . 1 . . . . 12 PRO HD3 . 10309 1 55 . 1 1 12 12 PRO HG2 H 1 1.585 0.030 . 2 . . . . 12 PRO HG2 . 10309 1 56 . 1 1 12 12 PRO HG3 H 1 1.818 0.030 . 2 . . . . 12 PRO HG3 . 10309 1 57 . 1 1 12 12 PRO C C 13 176.255 0.300 . 1 . . . . 12 PRO C . 10309 1 58 . 1 1 12 12 PRO CA C 13 63.254 0.300 . 1 . . . . 12 PRO CA . 10309 1 59 . 1 1 12 12 PRO CB C 13 32.296 0.300 . 1 . . . . 12 PRO CB . 10309 1 60 . 1 1 12 12 PRO CD C 13 50.195 0.300 . 1 . . . . 12 PRO CD . 10309 1 61 . 1 1 12 12 PRO CG C 13 26.664 0.300 . 1 . . . . 12 PRO CG . 10309 1 62 . 1 1 13 13 TYR H H 1 7.987 0.030 . 1 . . . . 13 TYR H . 10309 1 63 . 1 1 13 13 TYR HA H 1 4.646 0.030 . 1 . . . . 13 TYR HA . 10309 1 64 . 1 1 13 13 TYR HB2 H 1 3.023 0.030 . 2 . . . . 13 TYR HB2 . 10309 1 65 . 1 1 13 13 TYR HB3 H 1 2.865 0.030 . 2 . . . . 13 TYR HB3 . 10309 1 66 . 1 1 13 13 TYR HD1 H 1 7.010 0.030 . 1 . . . . 13 TYR HD1 . 10309 1 67 . 1 1 13 13 TYR HD2 H 1 7.010 0.030 . 1 . . . . 13 TYR HD2 . 10309 1 68 . 1 1 13 13 TYR HE1 H 1 6.917 0.030 . 1 . . . . 13 TYR HE1 . 10309 1 69 . 1 1 13 13 TYR HE2 H 1 6.917 0.030 . 1 . . . . 13 TYR HE2 . 10309 1 70 . 1 1 13 13 TYR C C 13 174.373 0.300 . 1 . . . . 13 TYR C . 10309 1 71 . 1 1 13 13 TYR CA C 13 57.559 0.300 . 1 . . . . 13 TYR CA . 10309 1 72 . 1 1 13 13 TYR CB C 13 38.553 0.300 . 1 . . . . 13 TYR CB . 10309 1 73 . 1 1 13 13 TYR CD1 C 13 133.168 0.300 . 1 . . . . 13 TYR CD1 . 10309 1 74 . 1 1 13 13 TYR CD2 C 13 133.168 0.300 . 1 . . . . 13 TYR CD2 . 10309 1 75 . 1 1 13 13 TYR CE1 C 13 118.514 0.300 . 1 . . . . 13 TYR CE1 . 10309 1 76 . 1 1 13 13 TYR CE2 C 13 118.514 0.300 . 1 . . . . 13 TYR CE2 . 10309 1 77 . 1 1 13 13 TYR N N 15 119.031 0.300 . 1 . . . . 13 TYR N . 10309 1 78 . 1 1 14 14 ILE H H 1 8.503 0.030 . 1 . . . . 14 ILE H . 10309 1 79 . 1 1 14 14 ILE HA H 1 4.670 0.030 . 1 . . . . 14 ILE HA . 10309 1 80 . 1 1 14 14 ILE HB H 1 1.671 0.030 . 1 . . . . 14 ILE HB . 10309 1 81 . 1 1 14 14 ILE HD11 H 1 0.775 0.030 . 1 . . . . 14 ILE HD1 . 10309 1 82 . 1 1 14 14 ILE HD12 H 1 0.775 0.030 . 1 . . . . 14 ILE HD1 . 10309 1 83 . 1 1 14 14 ILE HD13 H 1 0.775 0.030 . 1 . . . . 14 ILE HD1 . 10309 1 84 . 1 1 14 14 ILE HG12 H 1 1.385 0.030 . 2 . . . . 14 ILE HG12 . 10309 1 85 . 1 1 14 14 ILE HG13 H 1 0.983 0.030 . 2 . . . . 14 ILE HG13 . 10309 1 86 . 1 1 14 14 ILE HG21 H 1 0.697 0.030 . 1 . . . . 14 ILE HG2 . 10309 1 87 . 1 1 14 14 ILE HG22 H 1 0.697 0.030 . 1 . . . . 14 ILE HG2 . 10309 1 88 . 1 1 14 14 ILE HG23 H 1 0.697 0.030 . 1 . . . . 14 ILE HG2 . 10309 1 89 . 1 1 14 14 ILE C C 13 175.919 0.300 . 1 . . . . 14 ILE C . 10309 1 90 . 1 1 14 14 ILE CA C 13 59.744 0.300 . 1 . . . . 14 ILE CA . 10309 1 91 . 1 1 14 14 ILE CB C 13 40.548 0.300 . 1 . . . . 14 ILE CB . 10309 1 92 . 1 1 14 14 ILE CD1 C 13 12.888 0.300 . 1 . . . . 14 ILE CD1 . 10309 1 93 . 1 1 14 14 ILE CG1 C 13 27.802 0.300 . 1 . . . . 14 ILE CG1 . 10309 1 94 . 1 1 14 14 ILE CG2 C 13 17.204 0.300 . 1 . . . . 14 ILE CG2 . 10309 1 95 . 1 1 14 14 ILE N N 15 124.975 0.300 . 1 . . . . 14 ILE N . 10309 1 96 . 1 1 15 15 CYS H H 1 9.281 0.030 . 1 . . . . 15 CYS H . 10309 1 97 . 1 1 15 15 CYS HA H 1 4.471 0.030 . 1 . . . . 15 CYS HA . 10309 1 98 . 1 1 15 15 CYS HB2 H 1 3.427 0.030 . 2 . . . . 15 CYS HB2 . 10309 1 99 . 1 1 15 15 CYS HB3 H 1 2.909 0.030 . 2 . . . . 15 CYS HB3 . 10309 1 100 . 1 1 15 15 CYS C C 13 176.724 0.300 . 1 . . . . 15 CYS C . 10309 1 101 . 1 1 15 15 CYS CA C 13 59.950 0.300 . 1 . . . . 15 CYS CA . 10309 1 102 . 1 1 15 15 CYS CB C 13 29.421 0.300 . 1 . . . . 15 CYS CB . 10309 1 103 . 1 1 15 15 CYS N N 15 129.753 0.300 . 1 . . . . 15 CYS N . 10309 1 104 . 1 1 16 16 ALA H H 1 9.332 0.030 . 1 . . . . 16 ALA H . 10309 1 105 . 1 1 16 16 ALA HA H 1 4.173 0.030 . 1 . . . . 16 ALA HA . 10309 1 106 . 1 1 16 16 ALA HB1 H 1 1.528 0.030 . 1 . . . . 16 ALA HB . 10309 1 107 . 1 1 16 16 ALA HB2 H 1 1.528 0.030 . 1 . . . . 16 ALA HB . 10309 1 108 . 1 1 16 16 ALA HB3 H 1 1.528 0.030 . 1 . . . . 16 ALA HB . 10309 1 109 . 1 1 16 16 ALA C C 13 178.049 0.300 . 1 . . . . 16 ALA C . 10309 1 110 . 1 1 16 16 ALA CA C 13 54.571 0.300 . 1 . . . . 16 ALA CA . 10309 1 111 . 1 1 16 16 ALA CB C 13 18.910 0.300 . 1 . . . . 16 ALA CB . 10309 1 112 . 1 1 16 16 ALA N N 15 135.503 0.300 . 1 . . . . 16 ALA N . 10309 1 113 . 1 1 17 17 GLU H H 1 8.512 0.030 . 1 . . . . 17 GLU H . 10309 1 114 . 1 1 17 17 GLU HA H 1 4.170 0.030 . 1 . . . . 17 GLU HA . 10309 1 115 . 1 1 17 17 GLU HB2 H 1 1.304 0.030 . 2 . . . . 17 GLU HB2 . 10309 1 116 . 1 1 17 17 GLU HB3 H 1 1.372 0.030 . 2 . . . . 17 GLU HB3 . 10309 1 117 . 1 1 17 17 GLU HG2 H 1 1.753 0.030 . 2 . . . . 17 GLU HG2 . 10309 1 118 . 1 1 17 17 GLU HG3 H 1 1.896 0.030 . 2 . . . . 17 GLU HG3 . 10309 1 119 . 1 1 17 17 GLU C C 13 177.286 0.300 . 1 . . . . 17 GLU C . 10309 1 120 . 1 1 17 17 GLU CA C 13 58.287 0.300 . 1 . . . . 17 GLU CA . 10309 1 121 . 1 1 17 17 GLU CB C 13 29.519 0.300 . 1 . . . . 17 GLU CB . 10309 1 122 . 1 1 17 17 GLU CG C 13 35.708 0.300 . 1 . . . . 17 GLU CG . 10309 1 123 . 1 1 17 17 GLU N N 15 117.857 0.300 . 1 . . . . 17 GLU N . 10309 1 124 . 1 1 18 18 CYS H H 1 7.872 0.030 . 1 . . . . 18 CYS H . 10309 1 125 . 1 1 18 18 CYS HA H 1 5.183 0.030 . 1 . . . . 18 CYS HA . 10309 1 126 . 1 1 18 18 CYS HB2 H 1 3.444 0.030 . 2 . . . . 18 CYS HB2 . 10309 1 127 . 1 1 18 18 CYS HB3 H 1 2.805 0.030 . 2 . . . . 18 CYS HB3 . 10309 1 128 . 1 1 18 18 CYS C C 13 176.274 0.300 . 1 . . . . 18 CYS C . 10309 1 129 . 1 1 18 18 CYS CA C 13 58.407 0.300 . 1 . . . . 18 CYS CA . 10309 1 130 . 1 1 18 18 CYS CB C 13 32.754 0.300 . 1 . . . . 18 CYS CB . 10309 1 131 . 1 1 18 18 CYS N N 15 114.476 0.300 . 1 . . . . 18 CYS N . 10309 1 132 . 1 1 19 19 GLY H H 1 8.369 0.030 . 1 . . . . 19 GLY H . 10309 1 133 . 1 1 19 19 GLY HA2 H 1 4.221 0.030 . 2 . . . . 19 GLY HA2 . 10309 1 134 . 1 1 19 19 GLY HA3 H 1 3.720 0.030 . 2 . . . . 19 GLY HA3 . 10309 1 135 . 1 1 19 19 GLY C C 13 173.503 0.300 . 1 . . . . 19 GLY C . 10309 1 136 . 1 1 19 19 GLY CA C 13 46.066 0.300 . 1 . . . . 19 GLY CA . 10309 1 137 . 1 1 19 19 GLY N N 15 113.980 0.300 . 1 . . . . 19 GLY N . 10309 1 138 . 1 1 20 20 LYS H H 1 8.045 0.030 . 1 . . . . 20 LYS H . 10309 1 139 . 1 1 20 20 LYS HA H 1 3.906 0.030 . 1 . . . . 20 LYS HA . 10309 1 140 . 1 1 20 20 LYS HB2 H 1 1.484 0.030 . 2 . . . . 20 LYS HB2 . 10309 1 141 . 1 1 20 20 LYS HB3 H 1 1.181 0.030 . 2 . . . . 20 LYS HB3 . 10309 1 142 . 1 1 20 20 LYS HD2 H 1 1.372 0.030 . 2 . . . . 20 LYS HD2 . 10309 1 143 . 1 1 20 20 LYS HD3 H 1 1.483 0.030 . 2 . . . . 20 LYS HD3 . 10309 1 144 . 1 1 20 20 LYS HE2 H 1 2.953 0.030 . 2 . . . . 20 LYS HE2 . 10309 1 145 . 1 1 20 20 LYS HE3 H 1 2.859 0.030 . 2 . . . . 20 LYS HE3 . 10309 1 146 . 1 1 20 20 LYS HG2 H 1 0.990 0.030 . 2 . . . . 20 LYS HG2 . 10309 1 147 . 1 1 20 20 LYS HG3 H 1 1.329 0.030 . 2 . . . . 20 LYS HG3 . 10309 1 148 . 1 1 20 20 LYS C C 13 173.516 0.300 . 1 . . . . 20 LYS C . 10309 1 149 . 1 1 20 20 LYS CA C 13 58.415 0.300 . 1 . . . . 20 LYS CA . 10309 1 150 . 1 1 20 20 LYS CB C 13 33.466 0.300 . 1 . . . . 20 LYS CB . 10309 1 151 . 1 1 20 20 LYS CD C 13 29.238 0.300 . 1 . . . . 20 LYS CD . 10309 1 152 . 1 1 20 20 LYS CE C 13 42.149 0.300 . 1 . . . . 20 LYS CE . 10309 1 153 . 1 1 20 20 LYS CG C 13 26.119 0.300 . 1 . . . . 20 LYS CG . 10309 1 154 . 1 1 20 20 LYS N N 15 123.513 0.300 . 1 . . . . 20 LYS N . 10309 1 155 . 1 1 21 21 ALA H H 1 7.769 0.030 . 1 . . . . 21 ALA H . 10309 1 156 . 1 1 21 21 ALA HA H 1 5.142 0.030 . 1 . . . . 21 ALA HA . 10309 1 157 . 1 1 21 21 ALA HB1 H 1 1.189 0.030 . 1 . . . . 21 ALA HB . 10309 1 158 . 1 1 21 21 ALA HB2 H 1 1.189 0.030 . 1 . . . . 21 ALA HB . 10309 1 159 . 1 1 21 21 ALA HB3 H 1 1.189 0.030 . 1 . . . . 21 ALA HB . 10309 1 160 . 1 1 21 21 ALA C C 13 176.491 0.300 . 1 . . . . 21 ALA C . 10309 1 161 . 1 1 21 21 ALA CA C 13 50.458 0.300 . 1 . . . . 21 ALA CA . 10309 1 162 . 1 1 21 21 ALA CB C 13 22.705 0.300 . 1 . . . . 21 ALA CB . 10309 1 163 . 1 1 21 21 ALA N N 15 124.875 0.300 . 1 . . . . 21 ALA N . 10309 1 164 . 1 1 22 22 PHE H H 1 8.993 0.030 . 1 . . . . 22 PHE H . 10309 1 165 . 1 1 22 22 PHE HA H 1 4.733 0.030 . 1 . . . . 22 PHE HA . 10309 1 166 . 1 1 22 22 PHE HB2 H 1 3.444 0.030 . 2 . . . . 22 PHE HB2 . 10309 1 167 . 1 1 22 22 PHE HB3 H 1 2.708 0.030 . 2 . . . . 22 PHE HB3 . 10309 1 168 . 1 1 22 22 PHE HD1 H 1 7.355 0.030 . 1 . . . . 22 PHE HD1 . 10309 1 169 . 1 1 22 22 PHE HD2 H 1 7.355 0.030 . 1 . . . . 22 PHE HD2 . 10309 1 170 . 1 1 22 22 PHE HE1 H 1 6.856 0.030 . 1 . . . . 22 PHE HE1 . 10309 1 171 . 1 1 22 22 PHE HE2 H 1 6.856 0.030 . 1 . . . . 22 PHE HE2 . 10309 1 172 . 1 1 22 22 PHE HZ H 1 6.346 0.030 . 1 . . . . 22 PHE HZ . 10309 1 173 . 1 1 22 22 PHE C C 13 175.128 0.300 . 1 . . . . 22 PHE C . 10309 1 174 . 1 1 22 22 PHE CA C 13 57.490 0.300 . 1 . . . . 22 PHE CA . 10309 1 175 . 1 1 22 22 PHE CB C 13 42.894 0.300 . 1 . . . . 22 PHE CB . 10309 1 176 . 1 1 22 22 PHE CD1 C 13 132.545 0.300 . 1 . . . . 22 PHE CD1 . 10309 1 177 . 1 1 22 22 PHE CD2 C 13 132.545 0.300 . 1 . . . . 22 PHE CD2 . 10309 1 178 . 1 1 22 22 PHE CE1 C 13 130.639 0.300 . 1 . . . . 22 PHE CE1 . 10309 1 179 . 1 1 22 22 PHE CE2 C 13 130.639 0.300 . 1 . . . . 22 PHE CE2 . 10309 1 180 . 1 1 22 22 PHE CZ C 13 128.847 0.300 . 1 . . . . 22 PHE CZ . 10309 1 181 . 1 1 22 22 PHE N N 15 117.792 0.300 . 1 . . . . 22 PHE N . 10309 1 182 . 1 1 23 23 THR H H 1 8.942 0.030 . 1 . . . . 23 THR H . 10309 1 183 . 1 1 23 23 THR HA H 1 4.501 0.030 . 1 . . . . 23 THR HA . 10309 1 184 . 1 1 23 23 THR HB H 1 4.389 0.030 . 1 . . . . 23 THR HB . 10309 1 185 . 1 1 23 23 THR HG21 H 1 1.373 0.030 . 1 . . . . 23 THR HG2 . 10309 1 186 . 1 1 23 23 THR HG22 H 1 1.373 0.030 . 1 . . . . 23 THR HG2 . 10309 1 187 . 1 1 23 23 THR HG23 H 1 1.373 0.030 . 1 . . . . 23 THR HG2 . 10309 1 188 . 1 1 23 23 THR C C 13 174.311 0.300 . 1 . . . . 23 THR C . 10309 1 189 . 1 1 23 23 THR CA C 13 64.419 0.300 . 1 . . . . 23 THR CA . 10309 1 190 . 1 1 23 23 THR CB C 13 69.694 0.300 . 1 . . . . 23 THR CB . 10309 1 191 . 1 1 23 23 THR CG2 C 13 22.758 0.300 . 1 . . . . 23 THR CG2 . 10309 1 192 . 1 1 23 23 THR N N 15 116.360 0.300 . 1 . . . . 23 THR N . 10309 1 193 . 1 1 24 24 ILE H H 1 7.649 0.030 . 1 . . . . 24 ILE H . 10309 1 194 . 1 1 24 24 ILE HA H 1 4.634 0.030 . 1 . . . . 24 ILE HA . 10309 1 195 . 1 1 24 24 ILE HB H 1 2.007 0.030 . 1 . . . . 24 ILE HB . 10309 1 196 . 1 1 24 24 ILE HD11 H 1 0.876 0.030 . 1 . . . . 24 ILE HD1 . 10309 1 197 . 1 1 24 24 ILE HD12 H 1 0.876 0.030 . 1 . . . . 24 ILE HD1 . 10309 1 198 . 1 1 24 24 ILE HD13 H 1 0.876 0.030 . 1 . . . . 24 ILE HD1 . 10309 1 199 . 1 1 24 24 ILE HG12 H 1 1.247 0.030 . 2 . . . . 24 ILE HG12 . 10309 1 200 . 1 1 24 24 ILE HG13 H 1 1.478 0.030 . 2 . . . . 24 ILE HG13 . 10309 1 201 . 1 1 24 24 ILE HG21 H 1 0.999 0.030 . 1 . . . . 24 ILE HG2 . 10309 1 202 . 1 1 24 24 ILE HG22 H 1 0.999 0.030 . 1 . . . . 24 ILE HG2 . 10309 1 203 . 1 1 24 24 ILE HG23 H 1 0.999 0.030 . 1 . . . . 24 ILE HG2 . 10309 1 204 . 1 1 24 24 ILE C C 13 176.775 0.300 . 1 . . . . 24 ILE C . 10309 1 205 . 1 1 24 24 ILE CA C 13 59.635 0.300 . 1 . . . . 24 ILE CA . 10309 1 206 . 1 1 24 24 ILE CB C 13 40.451 0.300 . 1 . . . . 24 ILE CB . 10309 1 207 . 1 1 24 24 ILE CD1 C 13 12.769 0.300 . 1 . . . . 24 ILE CD1 . 10309 1 208 . 1 1 24 24 ILE CG1 C 13 26.899 0.300 . 1 . . . . 24 ILE CG1 . 10309 1 209 . 1 1 24 24 ILE CG2 C 13 17.894 0.300 . 1 . . . . 24 ILE CG2 . 10309 1 210 . 1 1 24 24 ILE N N 15 118.357 0.300 . 1 . . . . 24 ILE N . 10309 1 211 . 1 1 25 25 ARG H H 1 8.709 0.030 . 1 . . . . 25 ARG H . 10309 1 212 . 1 1 25 25 ARG HA H 1 2.913 0.030 . 1 . . . . 25 ARG HA . 10309 1 213 . 1 1 25 25 ARG HB2 H 1 1.469 0.030 . 2 . . . . 25 ARG HB2 . 10309 1 214 . 1 1 25 25 ARG HB3 H 1 0.837 0.030 . 2 . . . . 25 ARG HB3 . 10309 1 215 . 1 1 25 25 ARG HD2 H 1 3.017 0.030 . 1 . . . . 25 ARG HD2 . 10309 1 216 . 1 1 25 25 ARG HD3 H 1 3.017 0.030 . 1 . . . . 25 ARG HD3 . 10309 1 217 . 1 1 25 25 ARG HG2 H 1 1.051 0.030 . 2 . . . . 25 ARG HG2 . 10309 1 218 . 1 1 25 25 ARG HG3 H 1 1.299 0.030 . 2 . . . . 25 ARG HG3 . 10309 1 219 . 1 1 25 25 ARG C C 13 178.387 0.300 . 1 . . . . 25 ARG C . 10309 1 220 . 1 1 25 25 ARG CA C 13 60.288 0.300 . 1 . . . . 25 ARG CA . 10309 1 221 . 1 1 25 25 ARG CB C 13 29.217 0.300 . 1 . . . . 25 ARG CB . 10309 1 222 . 1 1 25 25 ARG CD C 13 43.187 0.300 . 1 . . . . 25 ARG CD . 10309 1 223 . 1 1 25 25 ARG CG C 13 27.787 0.300 . 1 . . . . 25 ARG CG . 10309 1 224 . 1 1 25 25 ARG N N 15 130.520 0.300 . 1 . . . . 25 ARG N . 10309 1 225 . 1 1 26 26 SER H H 1 8.554 0.030 . 1 . . . . 26 SER H . 10309 1 226 . 1 1 26 26 SER HA H 1 3.926 0.030 . 1 . . . . 26 SER HA . 10309 1 227 . 1 1 26 26 SER HB2 H 1 3.799 0.030 . 2 . . . . 26 SER HB2 . 10309 1 228 . 1 1 26 26 SER HB3 H 1 3.825 0.030 . 2 . . . . 26 SER HB3 . 10309 1 229 . 1 1 26 26 SER C C 13 176.946 0.300 . 1 . . . . 26 SER C . 10309 1 230 . 1 1 26 26 SER CA C 13 61.482 0.300 . 1 . . . . 26 SER CA . 10309 1 231 . 1 1 26 26 SER CB C 13 61.728 0.300 . 1 . . . . 26 SER CB . 10309 1 232 . 1 1 26 26 SER N N 15 112.523 0.300 . 1 . . . . 26 SER N . 10309 1 233 . 1 1 27 27 ASN H H 1 7.105 0.030 . 1 . . . . 27 ASN H . 10309 1 234 . 1 1 27 27 ASN HA H 1 4.616 0.030 . 1 . . . . 27 ASN HA . 10309 1 235 . 1 1 27 27 ASN HB2 H 1 3.119 0.030 . 2 . . . . 27 ASN HB2 . 10309 1 236 . 1 1 27 27 ASN HB3 H 1 2.819 0.030 . 2 . . . . 27 ASN HB3 . 10309 1 237 . 1 1 27 27 ASN HD21 H 1 8.197 0.030 . 2 . . . . 27 ASN HD21 . 10309 1 238 . 1 1 27 27 ASN HD22 H 1 7.482 0.030 . 2 . . . . 27 ASN HD22 . 10309 1 239 . 1 1 27 27 ASN C C 13 177.587 0.300 . 1 . . . . 27 ASN C . 10309 1 240 . 1 1 27 27 ASN CA C 13 54.725 0.300 . 1 . . . . 27 ASN CA . 10309 1 241 . 1 1 27 27 ASN CB C 13 37.392 0.300 . 1 . . . . 27 ASN CB . 10309 1 242 . 1 1 27 27 ASN N N 15 119.330 0.300 . 1 . . . . 27 ASN N . 10309 1 243 . 1 1 27 27 ASN ND2 N 15 114.555 0.300 . 1 . . . . 27 ASN ND2 . 10309 1 244 . 1 1 28 28 LEU H H 1 6.928 0.030 . 1 . . . . 28 LEU H . 10309 1 245 . 1 1 28 28 LEU HA H 1 3.080 0.030 . 1 . . . . 28 LEU HA . 10309 1 246 . 1 1 28 28 LEU HB2 H 1 2.068 0.030 . 2 . . . . 28 LEU HB2 . 10309 1 247 . 1 1 28 28 LEU HB3 H 1 1.176 0.030 . 2 . . . . 28 LEU HB3 . 10309 1 248 . 1 1 28 28 LEU HD11 H 1 0.970 0.030 . 1 . . . . 28 LEU HD1 . 10309 1 249 . 1 1 28 28 LEU HD12 H 1 0.970 0.030 . 1 . . . . 28 LEU HD1 . 10309 1 250 . 1 1 28 28 LEU HD13 H 1 0.970 0.030 . 1 . . . . 28 LEU HD1 . 10309 1 251 . 1 1 28 28 LEU HD21 H 1 1.009 0.030 . 1 . . . . 28 LEU HD2 . 10309 1 252 . 1 1 28 28 LEU HD22 H 1 1.009 0.030 . 1 . . . . 28 LEU HD2 . 10309 1 253 . 1 1 28 28 LEU HD23 H 1 1.009 0.030 . 1 . . . . 28 LEU HD2 . 10309 1 254 . 1 1 28 28 LEU HG H 1 1.429 0.030 . 1 . . . . 28 LEU HG . 10309 1 255 . 1 1 28 28 LEU C C 13 177.379 0.300 . 1 . . . . 28 LEU C . 10309 1 256 . 1 1 28 28 LEU CA C 13 58.046 0.300 . 1 . . . . 28 LEU CA . 10309 1 257 . 1 1 28 28 LEU CB C 13 39.676 0.300 . 1 . . . . 28 LEU CB . 10309 1 258 . 1 1 28 28 LEU CD1 C 13 26.497 0.300 . 2 . . . . 28 LEU CD1 . 10309 1 259 . 1 1 28 28 LEU CD2 C 13 22.893 0.300 . 2 . . . . 28 LEU CD2 . 10309 1 260 . 1 1 28 28 LEU CG C 13 27.629 0.300 . 1 . . . . 28 LEU CG . 10309 1 261 . 1 1 28 28 LEU N N 15 124.567 0.300 . 1 . . . . 28 LEU N . 10309 1 262 . 1 1 29 29 ILE H H 1 7.785 0.030 . 1 . . . . 29 ILE H . 10309 1 263 . 1 1 29 29 ILE HA H 1 3.679 0.030 . 1 . . . . 29 ILE HA . 10309 1 264 . 1 1 29 29 ILE HB H 1 1.780 0.030 . 1 . . . . 29 ILE HB . 10309 1 265 . 1 1 29 29 ILE HD11 H 1 0.702 0.030 . 1 . . . . 29 ILE HD1 . 10309 1 266 . 1 1 29 29 ILE HD12 H 1 0.702 0.030 . 1 . . . . 29 ILE HD1 . 10309 1 267 . 1 1 29 29 ILE HD13 H 1 0.702 0.030 . 1 . . . . 29 ILE HD1 . 10309 1 268 . 1 1 29 29 ILE HG12 H 1 1.423 0.030 . 2 . . . . 29 ILE HG12 . 10309 1 269 . 1 1 29 29 ILE HG13 H 1 1.251 0.030 . 2 . . . . 29 ILE HG13 . 10309 1 270 . 1 1 29 29 ILE HG21 H 1 0.854 0.030 . 1 . . . . 29 ILE HG2 . 10309 1 271 . 1 1 29 29 ILE HG22 H 1 0.854 0.030 . 1 . . . . 29 ILE HG2 . 10309 1 272 . 1 1 29 29 ILE HG23 H 1 0.854 0.030 . 1 . . . . 29 ILE HG2 . 10309 1 273 . 1 1 29 29 ILE C C 13 178.950 0.300 . 1 . . . . 29 ILE C . 10309 1 274 . 1 1 29 29 ILE CA C 13 64.045 0.300 . 1 . . . . 29 ILE CA . 10309 1 275 . 1 1 29 29 ILE CB C 13 37.111 0.300 . 1 . . . . 29 ILE CB . 10309 1 276 . 1 1 29 29 ILE CD1 C 13 11.465 0.300 . 1 . . . . 29 ILE CD1 . 10309 1 277 . 1 1 29 29 ILE CG1 C 13 28.379 0.300 . 1 . . . . 29 ILE CG1 . 10309 1 278 . 1 1 29 29 ILE CG2 C 13 17.218 0.300 . 1 . . . . 29 ILE CG2 . 10309 1 279 . 1 1 29 29 ILE N N 15 119.096 0.300 . 1 . . . . 29 ILE N . 10309 1 280 . 1 1 30 30 LYS H H 1 7.467 0.030 . 1 . . . . 30 LYS H . 10309 1 281 . 1 1 30 30 LYS HA H 1 3.940 0.030 . 1 . . . . 30 LYS HA . 10309 1 282 . 1 1 30 30 LYS HB2 H 1 1.802 0.030 . 1 . . . . 30 LYS HB2 . 10309 1 283 . 1 1 30 30 LYS HB3 H 1 1.802 0.030 . 1 . . . . 30 LYS HB3 . 10309 1 284 . 1 1 30 30 LYS HD2 H 1 1.684 0.030 . 1 . . . . 30 LYS HD2 . 10309 1 285 . 1 1 30 30 LYS HD3 H 1 1.684 0.030 . 1 . . . . 30 LYS HD3 . 10309 1 286 . 1 1 30 30 LYS HE2 H 1 2.957 0.030 . 1 . . . . 30 LYS HE2 . 10309 1 287 . 1 1 30 30 LYS HE3 H 1 2.957 0.030 . 1 . . . . 30 LYS HE3 . 10309 1 288 . 1 1 30 30 LYS HG2 H 1 1.398 0.030 . 2 . . . . 30 LYS HG2 . 10309 1 289 . 1 1 30 30 LYS HG3 H 1 1.554 0.030 . 2 . . . . 30 LYS HG3 . 10309 1 290 . 1 1 30 30 LYS C C 13 179.005 0.300 . 1 . . . . 30 LYS C . 10309 1 291 . 1 1 30 30 LYS CA C 13 59.715 0.300 . 1 . . . . 30 LYS CA . 10309 1 292 . 1 1 30 30 LYS CB C 13 32.861 0.300 . 1 . . . . 30 LYS CB . 10309 1 293 . 1 1 30 30 LYS CD C 13 29.520 0.300 . 1 . . . . 30 LYS CD . 10309 1 294 . 1 1 30 30 LYS CE C 13 42.132 0.300 . 1 . . . . 30 LYS CE . 10309 1 295 . 1 1 30 30 LYS CG C 13 25.293 0.300 . 1 . . . . 30 LYS CG . 10309 1 296 . 1 1 30 30 LYS N N 15 118.453 0.300 . 1 . . . . 30 LYS N . 10309 1 297 . 1 1 31 31 HIS H H 1 7.464 0.030 . 1 . . . . 31 HIS H . 10309 1 298 . 1 1 31 31 HIS HA H 1 4.199 0.030 . 1 . . . . 31 HIS HA . 10309 1 299 . 1 1 31 31 HIS HB2 H 1 3.206 0.030 . 2 . . . . 31 HIS HB2 . 10309 1 300 . 1 1 31 31 HIS HB3 H 1 3.043 0.030 . 2 . . . . 31 HIS HB3 . 10309 1 301 . 1 1 31 31 HIS HD2 H 1 6.958 0.030 . 1 . . . . 31 HIS HD2 . 10309 1 302 . 1 1 31 31 HIS HE1 H 1 8.021 0.030 . 1 . . . . 31 HIS HE1 . 10309 1 303 . 1 1 31 31 HIS C C 13 176.062 0.300 . 1 . . . . 31 HIS C . 10309 1 304 . 1 1 31 31 HIS CA C 13 59.061 0.300 . 1 . . . . 31 HIS CA . 10309 1 305 . 1 1 31 31 HIS CB C 13 28.682 0.300 . 1 . . . . 31 HIS CB . 10309 1 306 . 1 1 31 31 HIS CD2 C 13 127.297 0.300 . 1 . . . . 31 HIS CD2 . 10309 1 307 . 1 1 31 31 HIS CE1 C 13 139.660 0.300 . 1 . . . . 31 HIS CE1 . 10309 1 308 . 1 1 31 31 HIS N N 15 119.137 0.300 . 1 . . . . 31 HIS N . 10309 1 309 . 1 1 32 32 GLN H H 1 8.313 0.030 . 1 . . . . 32 GLN H . 10309 1 310 . 1 1 32 32 GLN HA H 1 3.636 0.030 . 1 . . . . 32 GLN HA . 10309 1 311 . 1 1 32 32 GLN HB2 H 1 2.198 0.030 . 2 . . . . 32 GLN HB2 . 10309 1 312 . 1 1 32 32 GLN HB3 H 1 2.313 0.030 . 2 . . . . 32 GLN HB3 . 10309 1 313 . 1 1 32 32 GLN HE21 H 1 6.951 0.030 . 2 . . . . 32 GLN HE21 . 10309 1 314 . 1 1 32 32 GLN HE22 H 1 7.611 0.030 . 2 . . . . 32 GLN HE22 . 10309 1 315 . 1 1 32 32 GLN HG2 H 1 2.855 0.030 . 1 . . . . 32 GLN HG2 . 10309 1 316 . 1 1 32 32 GLN HG3 H 1 2.855 0.030 . 1 . . . . 32 GLN HG3 . 10309 1 317 . 1 1 32 32 GLN C C 13 177.495 0.300 . 1 . . . . 32 GLN C . 10309 1 318 . 1 1 32 32 GLN CA C 13 59.301 0.300 . 1 . . . . 32 GLN CA . 10309 1 319 . 1 1 32 32 GLN CB C 13 28.258 0.300 . 1 . . . . 32 GLN CB . 10309 1 320 . 1 1 32 32 GLN CG C 13 35.572 0.300 . 1 . . . . 32 GLN CG . 10309 1 321 . 1 1 32 32 GLN N N 15 115.236 0.300 . 1 . . . . 32 GLN N . 10309 1 322 . 1 1 32 32 GLN NE2 N 15 111.898 0.300 . 1 . . . . 32 GLN NE2 . 10309 1 323 . 1 1 33 33 LYS H H 1 7.103 0.030 . 1 . . . . 33 LYS H . 10309 1 324 . 1 1 33 33 LYS HA H 1 4.059 0.030 . 1 . . . . 33 LYS HA . 10309 1 325 . 1 1 33 33 LYS HB2 H 1 1.859 0.030 . 2 . . . . 33 LYS HB2 . 10309 1 326 . 1 1 33 33 LYS HB3 H 1 1.807 0.030 . 2 . . . . 33 LYS HB3 . 10309 1 327 . 1 1 33 33 LYS HD2 H 1 1.688 0.030 . 1 . . . . 33 LYS HD2 . 10309 1 328 . 1 1 33 33 LYS HD3 H 1 1.688 0.030 . 1 . . . . 33 LYS HD3 . 10309 1 329 . 1 1 33 33 LYS HE2 H 1 2.954 0.030 . 1 . . . . 33 LYS HE2 . 10309 1 330 . 1 1 33 33 LYS HE3 H 1 2.954 0.030 . 1 . . . . 33 LYS HE3 . 10309 1 331 . 1 1 33 33 LYS HG2 H 1 1.488 0.030 . 2 . . . . 33 LYS HG2 . 10309 1 332 . 1 1 33 33 LYS HG3 H 1 1.635 0.030 . 2 . . . . 33 LYS HG3 . 10309 1 333 . 1 1 33 33 LYS C C 13 178.648 0.300 . 1 . . . . 33 LYS C . 10309 1 334 . 1 1 33 33 LYS CA C 13 58.465 0.300 . 1 . . . . 33 LYS CA . 10309 1 335 . 1 1 33 33 LYS CB C 13 32.331 0.300 . 1 . . . . 33 LYS CB . 10309 1 336 . 1 1 33 33 LYS CD C 13 29.087 0.300 . 1 . . . . 33 LYS CD . 10309 1 337 . 1 1 33 33 LYS CE C 13 42.034 0.300 . 1 . . . . 33 LYS CE . 10309 1 338 . 1 1 33 33 LYS CG C 13 25.149 0.300 . 1 . . . . 33 LYS CG . 10309 1 339 . 1 1 33 33 LYS N N 15 117.797 0.300 . 1 . . . . 33 LYS N . 10309 1 340 . 1 1 34 34 ILE H H 1 7.798 0.030 . 1 . . . . 34 ILE H . 10309 1 341 . 1 1 34 34 ILE HA H 1 3.989 0.030 . 1 . . . . 34 ILE HA . 10309 1 342 . 1 1 34 34 ILE HB H 1 1.724 0.030 . 1 . . . . 34 ILE HB . 10309 1 343 . 1 1 34 34 ILE HD11 H 1 0.697 0.030 . 1 . . . . 34 ILE HD1 . 10309 1 344 . 1 1 34 34 ILE HD12 H 1 0.697 0.030 . 1 . . . . 34 ILE HD1 . 10309 1 345 . 1 1 34 34 ILE HD13 H 1 0.697 0.030 . 1 . . . . 34 ILE HD1 . 10309 1 346 . 1 1 34 34 ILE HG12 H 1 0.931 0.030 . 2 . . . . 34 ILE HG12 . 10309 1 347 . 1 1 34 34 ILE HG13 H 1 0.693 0.030 . 2 . . . . 34 ILE HG13 . 10309 1 348 . 1 1 34 34 ILE HG21 H 1 0.573 0.030 . 1 . . . . 34 ILE HG2 . 10309 1 349 . 1 1 34 34 ILE HG22 H 1 0.573 0.030 . 1 . . . . 34 ILE HG2 . 10309 1 350 . 1 1 34 34 ILE HG23 H 1 0.573 0.030 . 1 . . . . 34 ILE HG2 . 10309 1 351 . 1 1 34 34 ILE C C 13 177.129 0.300 . 1 . . . . 34 ILE C . 10309 1 352 . 1 1 34 34 ILE CA C 13 62.910 0.300 . 1 . . . . 34 ILE CA . 10309 1 353 . 1 1 34 34 ILE CB C 13 37.770 0.300 . 1 . . . . 34 ILE CB . 10309 1 354 . 1 1 34 34 ILE CD1 C 13 14.506 0.300 . 1 . . . . 34 ILE CD1 . 10309 1 355 . 1 1 34 34 ILE CG1 C 13 26.458 0.300 . 1 . . . . 34 ILE CG1 . 10309 1 356 . 1 1 34 34 ILE CG2 C 13 16.465 0.300 . 1 . . . . 34 ILE CG2 . 10309 1 357 . 1 1 34 34 ILE N N 15 115.649 0.300 . 1 . . . . 34 ILE N . 10309 1 358 . 1 1 35 35 HIS H H 1 7.186 0.030 . 1 . . . . 35 HIS H . 10309 1 359 . 1 1 35 35 HIS HA H 1 4.852 0.030 . 1 . . . . 35 HIS HA . 10309 1 360 . 1 1 35 35 HIS HB2 H 1 3.338 0.030 . 2 . . . . 35 HIS HB2 . 10309 1 361 . 1 1 35 35 HIS HB3 H 1 3.176 0.030 . 2 . . . . 35 HIS HB3 . 10309 1 362 . 1 1 35 35 HIS HD2 H 1 6.735 0.030 . 1 . . . . 35 HIS HD2 . 10309 1 363 . 1 1 35 35 HIS HE1 H 1 8.066 0.030 . 1 . . . . 35 HIS HE1 . 10309 1 364 . 1 1 35 35 HIS C C 13 175.179 0.300 . 1 . . . . 35 HIS C . 10309 1 365 . 1 1 35 35 HIS CA C 13 54.743 0.300 . 1 . . . . 35 HIS CA . 10309 1 366 . 1 1 35 35 HIS CB C 13 28.442 0.300 . 1 . . . . 35 HIS CB . 10309 1 367 . 1 1 35 35 HIS CD2 C 13 127.664 0.300 . 1 . . . . 35 HIS CD2 . 10309 1 368 . 1 1 35 35 HIS CE1 C 13 140.029 0.300 . 1 . . . . 35 HIS CE1 . 10309 1 369 . 1 1 35 35 HIS N N 15 117.930 0.300 . 1 . . . . 35 HIS N . 10309 1 370 . 1 1 36 36 THR H H 1 7.678 0.030 . 1 . . . . 36 THR H . 10309 1 371 . 1 1 36 36 THR HA H 1 4.295 0.030 . 1 . . . . 36 THR HA . 10309 1 372 . 1 1 36 36 THR HB H 1 4.229 0.030 . 1 . . . . 36 THR HB . 10309 1 373 . 1 1 36 36 THR HG21 H 1 1.229 0.030 . 1 . . . . 36 THR HG2 . 10309 1 374 . 1 1 36 36 THR HG22 H 1 1.229 0.030 . 1 . . . . 36 THR HG2 . 10309 1 375 . 1 1 36 36 THR HG23 H 1 1.229 0.030 . 1 . . . . 36 THR HG2 . 10309 1 376 . 1 1 36 36 THR C C 13 174.443 0.300 . 1 . . . . 36 THR C . 10309 1 377 . 1 1 36 36 THR CA C 13 62.490 0.300 . 1 . . . . 36 THR CA . 10309 1 378 . 1 1 36 36 THR CB C 13 69.844 0.300 . 1 . . . . 36 THR CB . 10309 1 379 . 1 1 36 36 THR CG2 C 13 21.691 0.300 . 1 . . . . 36 THR CG2 . 10309 1 380 . 1 1 36 36 THR N N 15 114.109 0.300 . 1 . . . . 36 THR N . 10309 1 381 . 1 1 37 37 LYS H H 1 8.303 0.030 . 1 . . . . 37 LYS H . 10309 1 382 . 1 1 37 37 LYS HA H 1 4.338 0.030 . 1 . . . . 37 LYS HA . 10309 1 383 . 1 1 37 37 LYS HB2 H 1 1.771 0.030 . 2 . . . . 37 LYS HB2 . 10309 1 384 . 1 1 37 37 LYS HB3 H 1 1.848 0.030 . 2 . . . . 37 LYS HB3 . 10309 1 385 . 1 1 37 37 LYS HD2 H 1 1.676 0.030 . 1 . . . . 37 LYS HD2 . 10309 1 386 . 1 1 37 37 LYS HD3 H 1 1.676 0.030 . 1 . . . . 37 LYS HD3 . 10309 1 387 . 1 1 37 37 LYS HE2 H 1 3.210 0.030 . 1 . . . . 37 LYS HE2 . 10309 1 388 . 1 1 37 37 LYS HE3 H 1 3.210 0.030 . 1 . . . . 37 LYS HE3 . 10309 1 389 . 1 1 37 37 LYS HG2 H 1 1.456 0.030 . 1 . . . . 37 LYS HG2 . 10309 1 390 . 1 1 37 37 LYS HG3 H 1 1.456 0.030 . 1 . . . . 37 LYS HG3 . 10309 1 391 . 1 1 37 37 LYS C C 13 176.406 0.300 . 1 . . . . 37 LYS C . 10309 1 392 . 1 1 37 37 LYS CA C 13 56.291 0.300 . 1 . . . . 37 LYS CA . 10309 1 393 . 1 1 37 37 LYS CB C 13 32.858 0.300 . 1 . . . . 37 LYS CB . 10309 1 394 . 1 1 37 37 LYS CD C 13 29.054 0.300 . 1 . . . . 37 LYS CD . 10309 1 395 . 1 1 37 37 LYS CE C 13 43.334 0.300 . 1 . . . . 37 LYS CE . 10309 1 396 . 1 1 37 37 LYS CG C 13 24.719 0.300 . 1 . . . . 37 LYS CG . 10309 1 397 . 1 1 37 37 LYS N N 15 123.906 0.300 . 1 . . . . 37 LYS N . 10309 1 398 . 1 1 38 38 GLN H H 1 8.355 0.030 . 1 . . . . 38 GLN H . 10309 1 399 . 1 1 38 38 GLN HA H 1 4.306 0.030 . 1 . . . . 38 GLN HA . 10309 1 400 . 1 1 38 38 GLN HB2 H 1 1.959 0.030 . 2 . . . . 38 GLN HB2 . 10309 1 401 . 1 1 38 38 GLN HB3 H 1 2.070 0.030 . 2 . . . . 38 GLN HB3 . 10309 1 402 . 1 1 38 38 GLN HE21 H 1 7.548 0.030 . 2 . . . . 38 GLN HE21 . 10309 1 403 . 1 1 38 38 GLN HE22 H 1 6.878 0.030 . 2 . . . . 38 GLN HE22 . 10309 1 404 . 1 1 38 38 GLN HG2 H 1 2.366 0.030 . 1 . . . . 38 GLN HG2 . 10309 1 405 . 1 1 38 38 GLN HG3 H 1 2.366 0.030 . 1 . . . . 38 GLN HG3 . 10309 1 406 . 1 1 38 38 GLN C C 13 175.669 0.300 . 1 . . . . 38 GLN C . 10309 1 407 . 1 1 38 38 GLN CA C 13 55.655 0.300 . 1 . . . . 38 GLN CA . 10309 1 408 . 1 1 38 38 GLN CB C 13 29.589 0.300 . 1 . . . . 38 GLN CB . 10309 1 409 . 1 1 38 38 GLN CG C 13 33.809 0.300 . 1 . . . . 38 GLN CG . 10309 1 410 . 1 1 38 38 GLN N N 15 121.721 0.300 . 1 . . . . 38 GLN N . 10309 1 411 . 1 1 38 38 GLN NE2 N 15 112.870 0.300 . 1 . . . . 38 GLN NE2 . 10309 1 412 . 1 1 39 39 LYS H H 1 8.423 0.030 . 1 . . . . 39 LYS H . 10309 1 413 . 1 1 39 39 LYS HA H 1 4.592 0.030 . 1 . . . . 39 LYS HA . 10309 1 414 . 1 1 39 39 LYS HB2 H 1 1.740 0.030 . 2 . . . . 39 LYS HB2 . 10309 1 415 . 1 1 39 39 LYS HB3 H 1 1.825 0.030 . 2 . . . . 39 LYS HB3 . 10309 1 416 . 1 1 39 39 LYS HD2 H 1 1.683 0.030 . 1 . . . . 39 LYS HD2 . 10309 1 417 . 1 1 39 39 LYS HD3 H 1 1.683 0.030 . 1 . . . . 39 LYS HD3 . 10309 1 418 . 1 1 39 39 LYS HE2 H 1 3.003 0.030 . 1 . . . . 39 LYS HE2 . 10309 1 419 . 1 1 39 39 LYS HE3 H 1 3.003 0.030 . 1 . . . . 39 LYS HE3 . 10309 1 420 . 1 1 39 39 LYS HG2 H 1 1.477 0.030 . 1 . . . . 39 LYS HG2 . 10309 1 421 . 1 1 39 39 LYS HG3 H 1 1.477 0.030 . 1 . . . . 39 LYS HG3 . 10309 1 422 . 1 1 39 39 LYS C C 13 174.502 0.300 . 1 . . . . 39 LYS C . 10309 1 423 . 1 1 39 39 LYS CA C 13 54.353 0.300 . 1 . . . . 39 LYS CA . 10309 1 424 . 1 1 39 39 LYS CB C 13 32.489 0.300 . 1 . . . . 39 LYS CB . 10309 1 425 . 1 1 39 39 LYS CD C 13 29.353 0.300 . 1 . . . . 39 LYS CD . 10309 1 426 . 1 1 39 39 LYS CE C 13 42.161 0.300 . 1 . . . . 39 LYS CE . 10309 1 427 . 1 1 39 39 LYS CG C 13 24.585 0.300 . 1 . . . . 39 LYS CG . 10309 1 428 . 1 1 39 39 LYS N N 15 124.462 0.300 . 1 . . . . 39 LYS N . 10309 1 429 . 1 1 40 40 PRO HA H 1 4.476 0.030 . 1 . . . . 40 PRO HA . 10309 1 430 . 1 1 40 40 PRO HB2 H 1 2.322 0.030 . 2 . . . . 40 PRO HB2 . 10309 1 431 . 1 1 40 40 PRO HB3 H 1 1.942 0.030 . 2 . . . . 40 PRO HB3 . 10309 1 432 . 1 1 40 40 PRO HD2 H 1 3.654 0.030 . 2 . . . . 40 PRO HD2 . 10309 1 433 . 1 1 40 40 PRO HD3 H 1 3.843 0.030 . 2 . . . . 40 PRO HD3 . 10309 1 434 . 1 1 40 40 PRO HG2 H 1 2.022 0.030 . 1 . . . . 40 PRO HG2 . 10309 1 435 . 1 1 40 40 PRO HG3 H 1 2.022 0.030 . 1 . . . . 40 PRO HG3 . 10309 1 436 . 1 1 40 40 PRO C C 13 176.921 0.300 . 1 . . . . 40 PRO C . 10309 1 437 . 1 1 40 40 PRO CA C 13 63.271 0.300 . 1 . . . . 40 PRO CA . 10309 1 438 . 1 1 40 40 PRO CB C 13 32.158 0.300 . 1 . . . . 40 PRO CB . 10309 1 439 . 1 1 40 40 PRO CD C 13 50.733 0.300 . 1 . . . . 40 PRO CD . 10309 1 440 . 1 1 40 40 PRO CG C 13 27.408 0.300 . 1 . . . . 40 PRO CG . 10309 1 441 . 1 1 41 41 SER H H 1 8.471 0.030 . 1 . . . . 41 SER H . 10309 1 442 . 1 1 41 41 SER C C 13 174.579 0.300 . 1 . . . . 41 SER C . 10309 1 443 . 1 1 41 41 SER CA C 13 58.328 0.300 . 1 . . . . 41 SER CA . 10309 1 444 . 1 1 41 41 SER CB C 13 64.178 0.300 . 1 . . . . 41 SER CB . 10309 1 445 . 1 1 41 41 SER N N 15 116.494 0.300 . 1 . . . . 41 SER N . 10309 1 446 . 1 1 42 42 GLY HA2 H 1 4.152 0.030 . 2 . . . . 42 GLY HA2 . 10309 1 447 . 1 1 42 42 GLY HA3 H 1 4.118 0.030 . 2 . . . . 42 GLY HA3 . 10309 1 448 . 1 1 42 42 GLY CA C 13 44.667 0.300 . 1 . . . . 42 GLY CA . 10309 1 449 . 1 1 43 43 PRO HA H 1 4.448 0.030 . 1 . . . . 43 PRO HA . 10309 1 450 . 1 1 43 43 PRO HB2 H 1 2.288 0.030 . 2 . . . . 43 PRO HB2 . 10309 1 451 . 1 1 43 43 PRO HB3 H 1 1.985 0.030 . 2 . . . . 43 PRO HB3 . 10309 1 452 . 1 1 43 43 PRO HD2 H 1 3.628 0.030 . 1 . . . . 43 PRO HD2 . 10309 1 453 . 1 1 43 43 PRO HD3 H 1 3.628 0.030 . 1 . . . . 43 PRO HD3 . 10309 1 454 . 1 1 43 43 PRO HG2 H 1 2.019 0.030 . 1 . . . . 43 PRO HG2 . 10309 1 455 . 1 1 43 43 PRO HG3 H 1 2.019 0.030 . 1 . . . . 43 PRO HG3 . 10309 1 456 . 1 1 43 43 PRO CA C 13 63.201 0.300 . 1 . . . . 43 PRO CA . 10309 1 457 . 1 1 43 43 PRO CB C 13 32.199 0.300 . 1 . . . . 43 PRO CB . 10309 1 458 . 1 1 43 43 PRO CD C 13 49.802 0.300 . 1 . . . . 43 PRO CD . 10309 1 459 . 1 1 43 43 PRO CG C 13 27.156 0.300 . 1 . . . . 43 PRO CG . 10309 1 460 . 1 1 45 45 SER HA H 1 4.490 0.030 . 1 . . . . 45 SER HA . 10309 1 461 . 1 1 45 45 SER HB2 H 1 3.863 0.030 . 1 . . . . 45 SER HB2 . 10309 1 462 . 1 1 45 45 SER HB3 H 1 3.863 0.030 . 1 . . . . 45 SER HB3 . 10309 1 463 . 1 1 45 45 SER C C 13 173.891 0.300 . 1 . . . . 45 SER C . 10309 1 464 . 1 1 45 45 SER CA C 13 58.350 0.300 . 1 . . . . 45 SER CA . 10309 1 465 . 1 1 45 45 SER CB C 13 64.040 0.300 . 1 . . . . 45 SER CB . 10309 1 466 . 1 1 46 46 GLY H H 1 8.052 0.030 . 1 . . . . 46 GLY H . 10309 1 467 . 1 1 46 46 GLY HA2 H 1 3.797 0.030 . 2 . . . . 46 GLY HA2 . 10309 1 468 . 1 1 46 46 GLY HA3 H 1 3.748 0.030 . 2 . . . . 46 GLY HA3 . 10309 1 469 . 1 1 46 46 GLY C C 13 178.964 0.300 . 1 . . . . 46 GLY C . 10309 1 470 . 1 1 46 46 GLY CA C 13 46.209 0.300 . 1 . . . . 46 GLY CA . 10309 1 471 . 1 1 46 46 GLY N N 15 116.874 0.300 . 1 . . . . 46 GLY N . 10309 1 stop_ save_