################################### # 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 10202 _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 10202 1 2 '3D 15N-separated NOESY' 1 $sample_1 isotropic 10202 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 45.428 0.300 . 1 . . . . 7 GLY CA . 10202 1 2 . 1 1 7 7 GLY HA2 H 1 4.031 0.030 . 1 . . . . 7 GLY HA2 . 10202 1 3 . 1 1 7 7 GLY HA3 H 1 4.031 0.030 . 1 . . . . 7 GLY HA3 . 10202 1 4 . 1 1 7 7 GLY C C 13 174.504 0.300 . 1 . . . . 7 GLY C . 10202 1 5 . 1 1 8 8 THR N N 15 112.847 0.300 . 1 . . . . 8 THR N . 10202 1 6 . 1 1 8 8 THR H H 1 8.154 0.030 . 1 . . . . 8 THR H . 10202 1 7 . 1 1 8 8 THR CA C 13 61.882 0.300 . 1 . . . . 8 THR CA . 10202 1 8 . 1 1 8 8 THR HA H 1 4.361 0.030 . 1 . . . . 8 THR HA . 10202 1 9 . 1 1 8 8 THR CB C 13 69.841 0.300 . 1 . . . . 8 THR CB . 10202 1 10 . 1 1 8 8 THR HB H 1 4.287 0.030 . 1 . . . . 8 THR HB . 10202 1 11 . 1 1 8 8 THR CG2 C 13 21.511 0.300 . 1 . . . . 8 THR CG2 . 10202 1 12 . 1 1 8 8 THR HG21 H 1 1.185 0.030 . 1 . . . . 8 THR HG2 . 10202 1 13 . 1 1 8 8 THR HG22 H 1 1.185 0.030 . 1 . . . . 8 THR HG2 . 10202 1 14 . 1 1 8 8 THR HG23 H 1 1.185 0.030 . 1 . . . . 8 THR HG2 . 10202 1 15 . 1 1 8 8 THR C C 13 175.257 0.300 . 1 . . . . 8 THR C . 10202 1 16 . 1 1 9 9 GLY N N 15 110.940 0.300 . 1 . . . . 9 GLY N . 10202 1 17 . 1 1 9 9 GLY H H 1 8.452 0.030 . 1 . . . . 9 GLY H . 10202 1 18 . 1 1 9 9 GLY CA C 13 45.278 0.300 . 1 . . . . 9 GLY CA . 10202 1 19 . 1 1 9 9 GLY HA2 H 1 3.920 0.030 . 1 . . . . 9 GLY HA2 . 10202 1 20 . 1 1 9 9 GLY HA3 H 1 3.920 0.030 . 1 . . . . 9 GLY HA3 . 10202 1 21 . 1 1 9 9 GLY C C 13 174.062 0.300 . 1 . . . . 9 GLY C . 10202 1 22 . 1 1 10 10 GLU N N 15 120.294 0.300 . 1 . . . . 10 GLU N . 10202 1 23 . 1 1 10 10 GLU H H 1 8.237 0.030 . 1 . . . . 10 GLU H . 10202 1 24 . 1 1 10 10 GLU CA C 13 56.821 0.300 . 1 . . . . 10 GLU CA . 10202 1 25 . 1 1 10 10 GLU HA H 1 4.205 0.030 . 1 . . . . 10 GLU HA . 10202 1 26 . 1 1 10 10 GLU CB C 13 30.426 0.300 . 1 . . . . 10 GLU CB . 10202 1 27 . 1 1 10 10 GLU HB2 H 1 1.906 0.030 . 2 . . . . 10 GLU HB2 . 10202 1 28 . 1 1 10 10 GLU HB3 H 1 1.995 0.030 . 2 . . . . 10 GLU HB3 . 10202 1 29 . 1 1 10 10 GLU CG C 13 36.305 0.300 . 1 . . . . 10 GLU CG . 10202 1 30 . 1 1 10 10 GLU HG2 H 1 2.219 0.030 . 2 . . . . 10 GLU HG2 . 10202 1 31 . 1 1 10 10 GLU HG3 H 1 2.263 0.030 . 2 . . . . 10 GLU HG3 . 10202 1 32 . 1 1 10 10 GLU C C 13 176.322 0.300 . 1 . . . . 10 GLU C . 10202 1 33 . 1 1 11 11 ARG N N 15 121.374 0.300 . 1 . . . . 11 ARG N . 10202 1 34 . 1 1 11 11 ARG H H 1 8.295 0.030 . 1 . . . . 11 ARG H . 10202 1 35 . 1 1 11 11 ARG CA C 13 53.547 0.300 . 1 . . . . 11 ARG CA . 10202 1 36 . 1 1 11 11 ARG HA H 1 4.539 0.030 . 1 . . . . 11 ARG HA . 10202 1 37 . 1 1 11 11 ARG CB C 13 30.672 0.300 . 1 . . . . 11 ARG CB . 10202 1 38 . 1 1 11 11 ARG HB2 H 1 1.500 0.030 . 2 . . . . 11 ARG HB2 . 10202 1 39 . 1 1 11 11 ARG HB3 H 1 1.564 0.030 . 2 . . . . 11 ARG HB3 . 10202 1 40 . 1 1 11 11 ARG CG C 13 26.940 0.300 . 1 . . . . 11 ARG CG . 10202 1 41 . 1 1 11 11 ARG HG2 H 1 1.499 0.030 . 2 . . . . 11 ARG HG2 . 10202 1 42 . 1 1 11 11 ARG HG3 H 1 1.422 0.030 . 2 . . . . 11 ARG HG3 . 10202 1 43 . 1 1 11 11 ARG CD C 13 43.493 0.300 . 1 . . . . 11 ARG CD . 10202 1 44 . 1 1 11 11 ARG HD2 H 1 3.027 0.030 . 2 . . . . 11 ARG HD2 . 10202 1 45 . 1 1 11 11 ARG C C 13 173.550 0.300 . 1 . . . . 11 ARG C . 10202 1 46 . 1 1 12 12 PRO CA C 13 63.252 0.300 . 1 . . . . 12 PRO CA . 10202 1 47 . 1 1 12 12 PRO HA H 1 4.335 0.030 . 1 . . . . 12 PRO HA . 10202 1 48 . 1 1 12 12 PRO CB C 13 32.315 0.300 . 1 . . . . 12 PRO CB . 10202 1 49 . 1 1 12 12 PRO HB2 H 1 2.029 0.030 . 2 . . . . 12 PRO HB2 . 10202 1 50 . 1 1 12 12 PRO HB3 H 1 1.400 0.030 . 2 . . . . 12 PRO HB3 . 10202 1 51 . 1 1 12 12 PRO CG C 13 26.613 0.300 . 1 . . . . 12 PRO CG . 10202 1 52 . 1 1 12 12 PRO HG2 H 1 1.609 0.030 . 2 . . . . 12 PRO HG2 . 10202 1 53 . 1 1 12 12 PRO HG3 H 1 1.833 0.030 . 2 . . . . 12 PRO HG3 . 10202 1 54 . 1 1 12 12 PRO CD C 13 50.070 0.300 . 1 . . . . 12 PRO CD . 10202 1 55 . 1 1 12 12 PRO HD2 H 1 3.588 0.030 . 1 . . . . 12 PRO HD2 . 10202 1 56 . 1 1 12 12 PRO HD3 H 1 3.588 0.030 . 1 . . . . 12 PRO HD3 . 10202 1 57 . 1 1 12 12 PRO C C 13 176.312 0.300 . 1 . . . . 12 PRO C . 10202 1 58 . 1 1 13 13 TYR N N 15 119.535 0.300 . 1 . . . . 13 TYR N . 10202 1 59 . 1 1 13 13 TYR H H 1 8.022 0.030 . 1 . . . . 13 TYR H . 10202 1 60 . 1 1 13 13 TYR CA C 13 57.666 0.300 . 1 . . . . 13 TYR CA . 10202 1 61 . 1 1 13 13 TYR HA H 1 4.597 0.030 . 1 . . . . 13 TYR HA . 10202 1 62 . 1 1 13 13 TYR CB C 13 38.476 0.300 . 1 . . . . 13 TYR CB . 10202 1 63 . 1 1 13 13 TYR HB2 H 1 2.827 0.030 . 2 . . . . 13 TYR HB2 . 10202 1 64 . 1 1 13 13 TYR HB3 H 1 2.950 0.030 . 2 . . . . 13 TYR HB3 . 10202 1 65 . 1 1 13 13 TYR CD1 C 13 133.047 0.300 . 1 . . . . 13 TYR CD1 . 10202 1 66 . 1 1 13 13 TYR HD1 H 1 6.997 0.030 . 1 . . . . 13 TYR HD1 . 10202 1 67 . 1 1 13 13 TYR CD2 C 13 133.047 0.300 . 1 . . . . 13 TYR CD2 . 10202 1 68 . 1 1 13 13 TYR HD2 H 1 6.997 0.030 . 1 . . . . 13 TYR HD2 . 10202 1 69 . 1 1 13 13 TYR CE1 C 13 118.424 0.300 . 1 . . . . 13 TYR CE1 . 10202 1 70 . 1 1 13 13 TYR HE1 H 1 6.883 0.030 . 1 . . . . 13 TYR HE1 . 10202 1 71 . 1 1 13 13 TYR CE2 C 13 118.424 0.300 . 1 . . . . 13 TYR CE2 . 10202 1 72 . 1 1 13 13 TYR HE2 H 1 6.883 0.030 . 1 . . . . 13 TYR HE2 . 10202 1 73 . 1 1 13 13 TYR C C 13 174.475 0.300 . 1 . . . . 13 TYR C . 10202 1 74 . 1 1 14 14 ILE N N 15 124.578 0.300 . 1 . . . . 14 ILE N . 10202 1 75 . 1 1 14 14 ILE H H 1 8.338 0.030 . 1 . . . . 14 ILE H . 10202 1 76 . 1 1 14 14 ILE CA C 13 59.714 0.300 . 1 . . . . 14 ILE CA . 10202 1 77 . 1 1 14 14 ILE HA H 1 4.675 0.030 . 1 . . . . 14 ILE HA . 10202 1 78 . 1 1 14 14 ILE CB C 13 40.638 0.300 . 1 . . . . 14 ILE CB . 10202 1 79 . 1 1 14 14 ILE HB H 1 1.675 0.030 . 1 . . . . 14 ILE HB . 10202 1 80 . 1 1 14 14 ILE CG1 C 13 27.860 0.300 . 1 . . . . 14 ILE CG1 . 10202 1 81 . 1 1 14 14 ILE HG12 H 1 0.998 0.030 . 2 . . . . 14 ILE HG12 . 10202 1 82 . 1 1 14 14 ILE HG13 H 1 1.369 0.030 . 2 . . . . 14 ILE HG13 . 10202 1 83 . 1 1 14 14 ILE CG2 C 13 17.143 0.300 . 1 . . . . 14 ILE CG2 . 10202 1 84 . 1 1 14 14 ILE HG21 H 1 0.701 0.030 . 1 . . . . 14 ILE HG2 . 10202 1 85 . 1 1 14 14 ILE HG22 H 1 0.701 0.030 . 1 . . . . 14 ILE HG2 . 10202 1 86 . 1 1 14 14 ILE HG23 H 1 0.701 0.030 . 1 . . . . 14 ILE HG2 . 10202 1 87 . 1 1 14 14 ILE CD1 C 13 12.772 0.300 . 1 . . . . 14 ILE CD1 . 10202 1 88 . 1 1 14 14 ILE HD11 H 1 0.762 0.030 . 1 . . . . 14 ILE HD1 . 10202 1 89 . 1 1 14 14 ILE HD12 H 1 0.762 0.030 . 1 . . . . 14 ILE HD1 . 10202 1 90 . 1 1 14 14 ILE HD13 H 1 0.762 0.030 . 1 . . . . 14 ILE HD1 . 10202 1 91 . 1 1 14 14 ILE C C 13 175.750 0.300 . 1 . . . . 14 ILE C . 10202 1 92 . 1 1 15 15 CYS N N 15 128.935 0.300 . 1 . . . . 15 CYS N . 10202 1 93 . 1 1 15 15 CYS H H 1 9.278 0.030 . 1 . . . . 15 CYS H . 10202 1 94 . 1 1 15 15 CYS CA C 13 59.752 0.300 . 1 . . . . 15 CYS CA . 10202 1 95 . 1 1 15 15 CYS HA H 1 4.624 0.030 . 1 . . . . 15 CYS HA . 10202 1 96 . 1 1 15 15 CYS CB C 13 29.428 0.300 . 1 . . . . 15 CYS CB . 10202 1 97 . 1 1 15 15 CYS HB2 H 1 3.441 0.030 . 2 . . . . 15 CYS HB2 . 10202 1 98 . 1 1 15 15 CYS HB3 H 1 2.920 0.030 . 2 . . . . 15 CYS HB3 . 10202 1 99 . 1 1 15 15 CYS C C 13 177.330 0.300 . 1 . . . . 15 CYS C . 10202 1 100 . 1 1 16 16 THR N N 15 124.216 0.300 . 1 . . . . 16 THR N . 10202 1 101 . 1 1 16 16 THR H H 1 8.902 0.030 . 1 . . . . 16 THR H . 10202 1 102 . 1 1 16 16 THR CA C 13 64.298 0.300 . 1 . . . . 16 THR CA . 10202 1 103 . 1 1 16 16 THR HA H 1 4.130 0.030 . 1 . . . . 16 THR HA . 10202 1 104 . 1 1 16 16 THR CB C 13 68.664 0.300 . 1 . . . . 16 THR CB . 10202 1 105 . 1 1 16 16 THR HB H 1 4.403 0.030 . 1 . . . . 16 THR HB . 10202 1 106 . 1 1 16 16 THR CG2 C 13 22.257 0.300 . 1 . . . . 16 THR CG2 . 10202 1 107 . 1 1 16 16 THR HG21 H 1 1.384 0.030 . 1 . . . . 16 THR HG2 . 10202 1 108 . 1 1 16 16 THR HG22 H 1 1.384 0.030 . 1 . . . . 16 THR HG2 . 10202 1 109 . 1 1 16 16 THR HG23 H 1 1.384 0.030 . 1 . . . . 16 THR HG2 . 10202 1 110 . 1 1 16 16 THR C C 13 174.750 0.300 . 1 . . . . 16 THR C . 10202 1 111 . 1 1 17 17 VAL N N 15 123.592 0.300 . 1 . . . . 17 VAL N . 10202 1 112 . 1 1 17 17 VAL H H 1 8.618 0.030 . 1 . . . . 17 VAL H . 10202 1 113 . 1 1 17 17 VAL CA C 13 65.222 0.300 . 1 . . . . 17 VAL CA . 10202 1 114 . 1 1 17 17 VAL HA H 1 3.795 0.030 . 1 . . . . 17 VAL HA . 10202 1 115 . 1 1 17 17 VAL CB C 13 32.714 0.300 . 1 . . . . 17 VAL CB . 10202 1 116 . 1 1 17 17 VAL HB H 1 1.224 0.030 . 1 . . . . 17 VAL HB . 10202 1 117 . 1 1 17 17 VAL CG1 C 13 21.398 0.300 . 2 . . . . 17 VAL CG1 . 10202 1 118 . 1 1 17 17 VAL HG11 H 1 0.794 0.030 . 1 . . . . 17 VAL HG1 . 10202 1 119 . 1 1 17 17 VAL HG12 H 1 0.794 0.030 . 1 . . . . 17 VAL HG1 . 10202 1 120 . 1 1 17 17 VAL HG13 H 1 0.794 0.030 . 1 . . . . 17 VAL HG1 . 10202 1 121 . 1 1 17 17 VAL CG2 C 13 20.099 0.300 . 2 . . . . 17 VAL CG2 . 10202 1 122 . 1 1 17 17 VAL HG21 H 1 0.280 0.030 . 1 . . . . 17 VAL HG2 . 10202 1 123 . 1 1 17 17 VAL HG22 H 1 0.280 0.030 . 1 . . . . 17 VAL HG2 . 10202 1 124 . 1 1 17 17 VAL HG23 H 1 0.280 0.030 . 1 . . . . 17 VAL HG2 . 10202 1 125 . 1 1 17 17 VAL C C 13 177.090 0.300 . 1 . . . . 17 VAL C . 10202 1 126 . 1 1 18 18 CYS N N 15 115.099 0.300 . 1 . . . . 18 CYS N . 10202 1 127 . 1 1 18 18 CYS H H 1 7.957 0.030 . 1 . . . . 18 CYS H . 10202 1 128 . 1 1 18 18 CYS CA C 13 58.176 0.300 . 1 . . . . 18 CYS CA . 10202 1 129 . 1 1 18 18 CYS HA H 1 5.159 0.030 . 1 . . . . 18 CYS HA . 10202 1 130 . 1 1 18 18 CYS CB C 13 32.806 0.300 . 1 . . . . 18 CYS CB . 10202 1 131 . 1 1 18 18 CYS HB2 H 1 3.472 0.030 . 2 . . . . 18 CYS HB2 . 10202 1 132 . 1 1 18 18 CYS HB3 H 1 2.796 0.030 . 2 . . . . 18 CYS HB3 . 10202 1 133 . 1 1 18 18 CYS C C 13 176.462 0.300 . 1 . . . . 18 CYS C . 10202 1 134 . 1 1 19 19 GLY N N 15 113.815 0.300 . 1 . . . . 19 GLY N . 10202 1 135 . 1 1 19 19 GLY H H 1 8.183 0.030 . 1 . . . . 19 GLY H . 10202 1 136 . 1 1 19 19 GLY CA C 13 46.160 0.300 . 1 . . . . 19 GLY CA . 10202 1 137 . 1 1 19 19 GLY HA2 H 1 4.209 0.030 . 2 . . . . 19 GLY HA2 . 10202 1 138 . 1 1 19 19 GLY HA3 H 1 3.748 0.030 . 2 . . . . 19 GLY HA3 . 10202 1 139 . 1 1 19 19 GLY C C 13 173.546 0.300 . 1 . . . . 19 GLY C . 10202 1 140 . 1 1 20 20 LYS N N 15 123.111 0.300 . 1 . . . . 20 LYS N . 10202 1 141 . 1 1 20 20 LYS H H 1 7.986 0.030 . 1 . . . . 20 LYS H . 10202 1 142 . 1 1 20 20 LYS CA C 13 58.320 0.300 . 1 . . . . 20 LYS CA . 10202 1 143 . 1 1 20 20 LYS HA H 1 3.936 0.030 . 1 . . . . 20 LYS HA . 10202 1 144 . 1 1 20 20 LYS CB C 13 33.685 0.300 . 1 . . . . 20 LYS CB . 10202 1 145 . 1 1 20 20 LYS HB2 H 1 1.486 0.030 . 2 . . . . 20 LYS HB2 . 10202 1 146 . 1 1 20 20 LYS HB3 H 1 1.233 0.030 . 2 . . . . 20 LYS HB3 . 10202 1 147 . 1 1 20 20 LYS CG C 13 26.258 0.300 . 1 . . . . 20 LYS CG . 10202 1 148 . 1 1 20 20 LYS HG2 H 1 1.053 0.030 . 2 . . . . 20 LYS HG2 . 10202 1 149 . 1 1 20 20 LYS HG3 H 1 1.405 0.030 . 2 . . . . 20 LYS HG3 . 10202 1 150 . 1 1 20 20 LYS CD C 13 29.298 0.300 . 1 . . . . 20 LYS CD . 10202 1 151 . 1 1 20 20 LYS HD2 H 1 1.415 0.030 . 2 . . . . 20 LYS HD2 . 10202 1 152 . 1 1 20 20 LYS HD3 H 1 1.517 0.030 . 2 . . . . 20 LYS HD3 . 10202 1 153 . 1 1 20 20 LYS CE C 13 42.173 0.300 . 1 . . . . 20 LYS CE . 10202 1 154 . 1 1 20 20 LYS HE2 H 1 2.899 0.030 . 2 . . . . 20 LYS HE2 . 10202 1 155 . 1 1 20 20 LYS HE3 H 1 2.956 0.030 . 2 . . . . 20 LYS HE3 . 10202 1 156 . 1 1 20 20 LYS C C 13 173.419 0.300 . 1 . . . . 20 LYS C . 10202 1 157 . 1 1 21 21 ALA N N 15 124.165 0.300 . 1 . . . . 21 ALA N . 10202 1 158 . 1 1 21 21 ALA H H 1 7.779 0.030 . 1 . . . . 21 ALA H . 10202 1 159 . 1 1 21 21 ALA CA C 13 50.486 0.300 . 1 . . . . 21 ALA CA . 10202 1 160 . 1 1 21 21 ALA HA H 1 5.105 0.030 . 1 . . . . 21 ALA HA . 10202 1 161 . 1 1 21 21 ALA CB C 13 22.458 0.300 . 1 . . . . 21 ALA CB . 10202 1 162 . 1 1 21 21 ALA HB1 H 1 1.200 0.030 . 1 . . . . 21 ALA HB . 10202 1 163 . 1 1 21 21 ALA HB2 H 1 1.200 0.030 . 1 . . . . 21 ALA HB . 10202 1 164 . 1 1 21 21 ALA HB3 H 1 1.200 0.030 . 1 . . . . 21 ALA HB . 10202 1 165 . 1 1 21 21 ALA C C 13 176.756 0.300 . 1 . . . . 21 ALA C . 10202 1 166 . 1 1 22 22 PHE N N 15 118.244 0.300 . 1 . . . . 22 PHE N . 10202 1 167 . 1 1 22 22 PHE H H 1 8.986 0.030 . 1 . . . . 22 PHE H . 10202 1 168 . 1 1 22 22 PHE CA C 13 57.418 0.300 . 1 . . . . 22 PHE CA . 10202 1 169 . 1 1 22 22 PHE HA H 1 4.717 0.030 . 1 . . . . 22 PHE HA . 10202 1 170 . 1 1 22 22 PHE CB C 13 43.231 0.300 . 1 . . . . 22 PHE CB . 10202 1 171 . 1 1 22 22 PHE HB2 H 1 3.372 0.030 . 2 . . . . 22 PHE HB2 . 10202 1 172 . 1 1 22 22 PHE HB3 H 1 2.762 0.030 . 2 . . . . 22 PHE HB3 . 10202 1 173 . 1 1 22 22 PHE CD1 C 13 132.350 0.300 . 1 . . . . 22 PHE CD1 . 10202 1 174 . 1 1 22 22 PHE HD1 H 1 7.281 0.030 . 1 . . . . 22 PHE HD1 . 10202 1 175 . 1 1 22 22 PHE CD2 C 13 132.350 0.300 . 1 . . . . 22 PHE CD2 . 10202 1 176 . 1 1 22 22 PHE HD2 H 1 7.281 0.030 . 1 . . . . 22 PHE HD2 . 10202 1 177 . 1 1 22 22 PHE CE1 C 13 130.713 0.300 . 1 . . . . 22 PHE CE1 . 10202 1 178 . 1 1 22 22 PHE HE1 H 1 6.837 0.030 . 1 . . . . 22 PHE HE1 . 10202 1 179 . 1 1 22 22 PHE CE2 C 13 130.713 0.300 . 1 . . . . 22 PHE CE2 . 10202 1 180 . 1 1 22 22 PHE HE2 H 1 6.837 0.030 . 1 . . . . 22 PHE HE2 . 10202 1 181 . 1 1 22 22 PHE CZ C 13 128.763 0.300 . 1 . . . . 22 PHE CZ . 10202 1 182 . 1 1 22 22 PHE HZ H 1 6.205 0.030 . 1 . . . . 22 PHE HZ . 10202 1 183 . 1 1 22 22 PHE C C 13 175.604 0.300 . 1 . . . . 22 PHE C . 10202 1 184 . 1 1 23 23 THR N N 15 112.986 0.300 . 1 . . . . 23 THR N . 10202 1 185 . 1 1 23 23 THR H H 1 8.941 0.030 . 1 . . . . 23 THR H . 10202 1 186 . 1 1 23 23 THR CA C 13 63.847 0.300 . 1 . . . . 23 THR CA . 10202 1 187 . 1 1 23 23 THR HA H 1 4.470 0.030 . 1 . . . . 23 THR HA . 10202 1 188 . 1 1 23 23 THR CB C 13 69.556 0.300 . 1 . . . . 23 THR CB . 10202 1 189 . 1 1 23 23 THR HB H 1 4.429 0.030 . 1 . . . . 23 THR HB . 10202 1 190 . 1 1 23 23 THR CG2 C 13 22.331 0.300 . 1 . . . . 23 THR CG2 . 10202 1 191 . 1 1 23 23 THR HG21 H 1 1.335 0.030 . 1 . . . . 23 THR HG2 . 10202 1 192 . 1 1 23 23 THR HG22 H 1 1.335 0.030 . 1 . . . . 23 THR HG2 . 10202 1 193 . 1 1 23 23 THR HG23 H 1 1.335 0.030 . 1 . . . . 23 THR HG2 . 10202 1 194 . 1 1 23 23 THR C C 13 174.032 0.300 . 1 . . . . 23 THR C . 10202 1 195 . 1 1 24 24 ASP N N 15 118.330 0.300 . 1 . . . . 24 ASP N . 10202 1 196 . 1 1 24 24 ASP H H 1 7.637 0.030 . 1 . . . . 24 ASP H . 10202 1 197 . 1 1 24 24 ASP CA C 13 52.811 0.300 . 1 . . . . 24 ASP CA . 10202 1 198 . 1 1 24 24 ASP HA H 1 4.808 0.030 . 1 . . . . 24 ASP HA . 10202 1 199 . 1 1 24 24 ASP CB C 13 43.632 0.300 . 1 . . . . 24 ASP CB . 10202 1 200 . 1 1 24 24 ASP HB2 H 1 2.714 0.030 . 2 . . . . 24 ASP HB2 . 10202 1 201 . 1 1 24 24 ASP HB3 H 1 2.795 0.030 . 2 . . . . 24 ASP HB3 . 10202 1 202 . 1 1 24 24 ASP C C 13 175.092 0.300 . 1 . . . . 24 ASP C . 10202 1 203 . 1 1 25 25 ARG N N 15 124.562 0.300 . 1 . . . . 25 ARG N . 10202 1 204 . 1 1 25 25 ARG H H 1 8.384 0.030 . 1 . . . . 25 ARG H . 10202 1 205 . 1 1 25 25 ARG CA C 13 59.227 0.300 . 1 . . . . 25 ARG CA . 10202 1 206 . 1 1 25 25 ARG HA H 1 3.139 0.030 . 1 . . . . 25 ARG HA . 10202 1 207 . 1 1 25 25 ARG CB C 13 29.797 0.300 . 1 . . . . 25 ARG CB . 10202 1 208 . 1 1 25 25 ARG HB2 H 1 1.474 0.030 . 2 . . . . 25 ARG HB2 . 10202 1 209 . 1 1 25 25 ARG HB3 H 1 1.111 0.030 . 2 . . . . 25 ARG HB3 . 10202 1 210 . 1 1 25 25 ARG CG C 13 27.743 0.300 . 1 . . . . 25 ARG CG . 10202 1 211 . 1 1 25 25 ARG HG2 H 1 1.253 0.030 . 2 . . . . 25 ARG HG2 . 10202 1 212 . 1 1 25 25 ARG HG3 H 1 1.395 0.030 . 2 . . . . 25 ARG HG3 . 10202 1 213 . 1 1 25 25 ARG CD C 13 43.238 0.300 . 1 . . . . 25 ARG CD . 10202 1 214 . 1 1 25 25 ARG HD2 H 1 3.087 0.030 . 1 . . . . 25 ARG HD2 . 10202 1 215 . 1 1 25 25 ARG HD3 H 1 3.087 0.030 . 1 . . . . 25 ARG HD3 . 10202 1 216 . 1 1 25 25 ARG C C 13 177.768 0.300 . 1 . . . . 25 ARG C . 10202 1 217 . 1 1 26 26 SER N N 15 114.310 0.300 . 1 . . . . 26 SER N . 10202 1 218 . 1 1 26 26 SER H H 1 8.404 0.030 . 1 . . . . 26 SER H . 10202 1 219 . 1 1 26 26 SER CA C 13 61.865 0.300 . 1 . . . . 26 SER CA . 10202 1 220 . 1 1 26 26 SER HA H 1 3.981 0.030 . 1 . . . . 26 SER HA . 10202 1 221 . 1 1 26 26 SER CB C 13 62.116 0.300 . 1 . . . . 26 SER CB . 10202 1 222 . 1 1 26 26 SER HB2 H 1 3.824 0.030 . 1 . . . . 26 SER HB2 . 10202 1 223 . 1 1 26 26 SER HB3 H 1 3.824 0.030 . 1 . . . . 26 SER HB3 . 10202 1 224 . 1 1 26 26 SER C C 13 177.339 0.300 . 1 . . . . 26 SER C . 10202 1 225 . 1 1 27 27 ASN N N 15 120.170 0.300 . 1 . . . . 27 ASN N . 10202 1 226 . 1 1 27 27 ASN H H 1 8.024 0.030 . 1 . . . . 27 ASN H . 10202 1 227 . 1 1 27 27 ASN CA C 13 55.713 0.300 . 1 . . . . 27 ASN CA . 10202 1 228 . 1 1 27 27 ASN HA H 1 4.426 0.030 . 1 . . . . 27 ASN HA . 10202 1 229 . 1 1 27 27 ASN CB C 13 38.343 0.300 . 1 . . . . 27 ASN CB . 10202 1 230 . 1 1 27 27 ASN HB2 H 1 2.987 0.030 . 2 . . . . 27 ASN HB2 . 10202 1 231 . 1 1 27 27 ASN HB3 H 1 2.733 0.030 . 2 . . . . 27 ASN HB3 . 10202 1 232 . 1 1 27 27 ASN ND2 N 15 115.365 0.300 . 1 . . . . 27 ASN ND2 . 10202 1 233 . 1 1 27 27 ASN HD21 H 1 7.149 0.030 . 2 . . . . 27 ASN HD21 . 10202 1 234 . 1 1 27 27 ASN HD22 H 1 8.416 0.030 . 2 . . . . 27 ASN HD22 . 10202 1 235 . 1 1 27 27 ASN C C 13 177.564 0.300 . 1 . . . . 27 ASN C . 10202 1 236 . 1 1 28 28 LEU N N 15 123.285 0.300 . 1 . . . . 28 LEU N . 10202 1 237 . 1 1 28 28 LEU H H 1 7.047 0.030 . 1 . . . . 28 LEU H . 10202 1 238 . 1 1 28 28 LEU CA C 13 58.259 0.300 . 1 . . . . 28 LEU CA . 10202 1 239 . 1 1 28 28 LEU HA H 1 3.147 0.030 . 1 . . . . 28 LEU HA . 10202 1 240 . 1 1 28 28 LEU CB C 13 40.313 0.300 . 1 . . . . 28 LEU CB . 10202 1 241 . 1 1 28 28 LEU HB2 H 1 2.033 0.030 . 2 . . . . 28 LEU HB2 . 10202 1 242 . 1 1 28 28 LEU HB3 H 1 1.230 0.030 . 2 . . . . 28 LEU HB3 . 10202 1 243 . 1 1 28 28 LEU CG C 13 27.607 0.300 . 1 . . . . 28 LEU CG . 10202 1 244 . 1 1 28 28 LEU HG H 1 1.463 0.030 . 1 . . . . 28 LEU HG . 10202 1 245 . 1 1 28 28 LEU CD1 C 13 22.829 0.300 . 2 . . . . 28 LEU CD1 . 10202 1 246 . 1 1 28 28 LEU HD11 H 1 0.991 0.030 . 1 . . . . 28 LEU HD1 . 10202 1 247 . 1 1 28 28 LEU HD12 H 1 0.991 0.030 . 1 . . . . 28 LEU HD1 . 10202 1 248 . 1 1 28 28 LEU HD13 H 1 0.991 0.030 . 1 . . . . 28 LEU HD1 . 10202 1 249 . 1 1 28 28 LEU CD2 C 13 26.510 0.300 . 2 . . . . 28 LEU CD2 . 10202 1 250 . 1 1 28 28 LEU HD21 H 1 1.015 0.030 . 1 . . . . 28 LEU HD2 . 10202 1 251 . 1 1 28 28 LEU HD22 H 1 1.015 0.030 . 1 . . . . 28 LEU HD2 . 10202 1 252 . 1 1 28 28 LEU HD23 H 1 1.015 0.030 . 1 . . . . 28 LEU HD2 . 10202 1 253 . 1 1 28 28 LEU C C 13 177.394 0.300 . 1 . . . . 28 LEU C . 10202 1 254 . 1 1 29 29 ILE N N 15 119.714 0.300 . 1 . . . . 29 ILE N . 10202 1 255 . 1 1 29 29 ILE H H 1 8.148 0.030 . 1 . . . . 29 ILE H . 10202 1 256 . 1 1 29 29 ILE CA C 13 64.564 0.300 . 1 . . . . 29 ILE CA . 10202 1 257 . 1 1 29 29 ILE HA H 1 3.692 0.030 . 1 . . . . 29 ILE HA . 10202 1 258 . 1 1 29 29 ILE CB C 13 37.503 0.300 . 1 . . . . 29 ILE CB . 10202 1 259 . 1 1 29 29 ILE HB H 1 1.809 0.030 . 1 . . . . 29 ILE HB . 10202 1 260 . 1 1 29 29 ILE CG1 C 13 28.862 0.300 . 1 . . . . 29 ILE CG1 . 10202 1 261 . 1 1 29 29 ILE HG12 H 1 1.220 0.030 . 2 . . . . 29 ILE HG12 . 10202 1 262 . 1 1 29 29 ILE HG13 H 1 1.529 0.030 . 2 . . . . 29 ILE HG13 . 10202 1 263 . 1 1 29 29 ILE CG2 C 13 17.165 0.300 . 1 . . . . 29 ILE CG2 . 10202 1 264 . 1 1 29 29 ILE HG21 H 1 0.859 0.030 . 1 . . . . 29 ILE HG2 . 10202 1 265 . 1 1 29 29 ILE HG22 H 1 0.859 0.030 . 1 . . . . 29 ILE HG2 . 10202 1 266 . 1 1 29 29 ILE HG23 H 1 0.859 0.030 . 1 . . . . 29 ILE HG2 . 10202 1 267 . 1 1 29 29 ILE CD1 C 13 12.394 0.300 . 1 . . . . 29 ILE CD1 . 10202 1 268 . 1 1 29 29 ILE HD11 H 1 0.740 0.030 . 1 . . . . 29 ILE HD1 . 10202 1 269 . 1 1 29 29 ILE HD12 H 1 0.740 0.030 . 1 . . . . 29 ILE HD1 . 10202 1 270 . 1 1 29 29 ILE HD13 H 1 0.740 0.030 . 1 . . . . 29 ILE HD1 . 10202 1 271 . 1 1 29 29 ILE C C 13 179.034 0.300 . 1 . . . . 29 ILE C . 10202 1 272 . 1 1 30 30 LYS N N 15 118.869 0.300 . 1 . . . . 30 LYS N . 10202 1 273 . 1 1 30 30 LYS H H 1 7.539 0.030 . 1 . . . . 30 LYS H . 10202 1 274 . 1 1 30 30 LYS CA C 13 59.707 0.300 . 1 . . . . 30 LYS CA . 10202 1 275 . 1 1 30 30 LYS HA H 1 3.917 0.030 . 1 . . . . 30 LYS HA . 10202 1 276 . 1 1 30 30 LYS CB C 13 32.807 0.300 . 1 . . . . 30 LYS CB . 10202 1 277 . 1 1 30 30 LYS HB2 H 1 1.799 0.030 . 1 . . . . 30 LYS HB2 . 10202 1 278 . 1 1 30 30 LYS HB3 H 1 1.799 0.030 . 1 . . . . 30 LYS HB3 . 10202 1 279 . 1 1 30 30 LYS CG C 13 25.306 0.300 . 1 . . . . 30 LYS CG . 10202 1 280 . 1 1 30 30 LYS HG2 H 1 1.534 0.030 . 2 . . . . 30 LYS HG2 . 10202 1 281 . 1 1 30 30 LYS HG3 H 1 1.383 0.030 . 2 . . . . 30 LYS HG3 . 10202 1 282 . 1 1 30 30 LYS CD C 13 29.511 0.300 . 1 . . . . 30 LYS CD . 10202 1 283 . 1 1 30 30 LYS HD2 H 1 1.662 0.030 . 1 . . . . 30 LYS HD2 . 10202 1 284 . 1 1 30 30 LYS HD3 H 1 1.662 0.030 . 1 . . . . 30 LYS HD3 . 10202 1 285 . 1 1 30 30 LYS CE C 13 42.077 0.300 . 1 . . . . 30 LYS CE . 10202 1 286 . 1 1 30 30 LYS HE2 H 1 2.941 0.030 . 1 . . . . 30 LYS HE2 . 10202 1 287 . 1 1 30 30 LYS HE3 H 1 2.941 0.030 . 1 . . . . 30 LYS HE3 . 10202 1 288 . 1 1 30 30 LYS C C 13 179.031 0.300 . 1 . . . . 30 LYS C . 10202 1 289 . 1 1 31 31 HIS N N 15 118.737 0.300 . 1 . . . . 31 HIS N . 10202 1 290 . 1 1 31 31 HIS H H 1 7.554 0.030 . 1 . . . . 31 HIS H . 10202 1 291 . 1 1 31 31 HIS CA C 13 59.020 0.300 . 1 . . . . 31 HIS CA . 10202 1 292 . 1 1 31 31 HIS HA H 1 4.175 0.030 . 1 . . . . 31 HIS HA . 10202 1 293 . 1 1 31 31 HIS CB C 13 28.480 0.300 . 1 . . . . 31 HIS CB . 10202 1 294 . 1 1 31 31 HIS HB2 H 1 3.123 0.030 . 2 . . . . 31 HIS HB2 . 10202 1 295 . 1 1 31 31 HIS HB3 H 1 2.921 0.030 . 2 . . . . 31 HIS HB3 . 10202 1 296 . 1 1 31 31 HIS CD2 C 13 127.257 0.300 . 1 . . . . 31 HIS CD2 . 10202 1 297 . 1 1 31 31 HIS HD2 H 1 6.892 0.030 . 1 . . . . 31 HIS HD2 . 10202 1 298 . 1 1 31 31 HIS CE1 C 13 139.527 0.300 . 1 . . . . 31 HIS CE1 . 10202 1 299 . 1 1 31 31 HIS HE1 H 1 8.043 0.030 . 1 . . . . 31 HIS HE1 . 10202 1 300 . 1 1 31 31 HIS C C 13 176.197 0.300 . 1 . . . . 31 HIS C . 10202 1 301 . 1 1 32 32 GLN N N 15 115.420 0.300 . 1 . . . . 32 GLN N . 10202 1 302 . 1 1 32 32 GLN H H 1 8.379 0.030 . 1 . . . . 32 GLN H . 10202 1 303 . 1 1 32 32 GLN CA C 13 59.377 0.300 . 1 . . . . 32 GLN CA . 10202 1 304 . 1 1 32 32 GLN HA H 1 3.642 0.030 . 1 . . . . 32 GLN HA . 10202 1 305 . 1 1 32 32 GLN CB C 13 28.253 0.300 . 1 . . . . 32 GLN CB . 10202 1 306 . 1 1 32 32 GLN HB2 H 1 2.179 0.030 . 2 . . . . 32 GLN HB2 . 10202 1 307 . 1 1 32 32 GLN HB3 H 1 2.321 0.030 . 2 . . . . 32 GLN HB3 . 10202 1 308 . 1 1 32 32 GLN CG C 13 35.368 0.300 . 1 . . . . 32 GLN CG . 10202 1 309 . 1 1 32 32 GLN HG2 H 1 2.832 0.030 . 1 . . . . 32 GLN HG2 . 10202 1 310 . 1 1 32 32 GLN HG3 H 1 2.832 0.030 . 1 . . . . 32 GLN HG3 . 10202 1 311 . 1 1 32 32 GLN NE2 N 15 111.379 0.300 . 1 . . . . 32 GLN NE2 . 10202 1 312 . 1 1 32 32 GLN HE21 H 1 7.515 0.030 . 2 . . . . 32 GLN HE21 . 10202 1 313 . 1 1 32 32 GLN HE22 H 1 6.966 0.030 . 2 . . . . 32 GLN HE22 . 10202 1 314 . 1 1 32 32 GLN C C 13 177.510 0.300 . 1 . . . . 32 GLN C . 10202 1 315 . 1 1 33 33 LYS N N 15 117.483 0.300 . 1 . . . . 33 LYS N . 10202 1 316 . 1 1 33 33 LYS H H 1 7.088 0.030 . 1 . . . . 33 LYS H . 10202 1 317 . 1 1 33 33 LYS CA C 13 58.393 0.300 . 1 . . . . 33 LYS CA . 10202 1 318 . 1 1 33 33 LYS HA H 1 4.094 0.030 . 1 . . . . 33 LYS HA . 10202 1 319 . 1 1 33 33 LYS CB C 13 32.312 0.300 . 1 . . . . 33 LYS CB . 10202 1 320 . 1 1 33 33 LYS HB2 H 1 1.837 0.030 . 2 . . . . 33 LYS HB2 . 10202 1 321 . 1 1 33 33 LYS HB3 H 1 1.812 0.030 . 2 . . . . 33 LYS HB3 . 10202 1 322 . 1 1 33 33 LYS CG C 13 25.130 0.300 . 1 . . . . 33 LYS CG . 10202 1 323 . 1 1 33 33 LYS HG2 H 1 1.627 0.030 . 2 . . . . 33 LYS HG2 . 10202 1 324 . 1 1 33 33 LYS HG3 H 1 1.477 0.030 . 2 . . . . 33 LYS HG3 . 10202 1 325 . 1 1 33 33 LYS CD C 13 29.010 0.300 . 1 . . . . 33 LYS CD . 10202 1 326 . 1 1 33 33 LYS HD2 H 1 1.674 0.030 . 1 . . . . 33 LYS HD2 . 10202 1 327 . 1 1 33 33 LYS HD3 H 1 1.674 0.030 . 1 . . . . 33 LYS HD3 . 10202 1 328 . 1 1 33 33 LYS CE C 13 42.145 0.300 . 1 . . . . 33 LYS CE . 10202 1 329 . 1 1 33 33 LYS HE2 H 1 2.941 0.030 . 1 . . . . 33 LYS HE2 . 10202 1 330 . 1 1 33 33 LYS HE3 H 1 2.941 0.030 . 1 . . . . 33 LYS HE3 . 10202 1 331 . 1 1 33 33 LYS C C 13 178.685 0.300 . 1 . . . . 33 LYS C . 10202 1 332 . 1 1 34 34 ILE N N 15 116.168 0.300 . 1 . . . . 34 ILE N . 10202 1 333 . 1 1 34 34 ILE H H 1 7.815 0.030 . 1 . . . . 34 ILE H . 10202 1 334 . 1 1 34 34 ILE CA C 13 63.019 0.300 . 1 . . . . 34 ILE CA . 10202 1 335 . 1 1 34 34 ILE HA H 1 3.979 0.030 . 1 . . . . 34 ILE HA . 10202 1 336 . 1 1 34 34 ILE CB C 13 37.697 0.300 . 1 . . . . 34 ILE CB . 10202 1 337 . 1 1 34 34 ILE HB H 1 1.687 0.030 . 1 . . . . 34 ILE HB . 10202 1 338 . 1 1 34 34 ILE CG1 C 13 26.563 0.300 . 1 . . . . 34 ILE CG1 . 10202 1 339 . 1 1 34 34 ILE HG12 H 1 0.937 0.030 . 2 . . . . 34 ILE HG12 . 10202 1 340 . 1 1 34 34 ILE HG13 H 1 0.731 0.030 . 2 . . . . 34 ILE HG13 . 10202 1 341 . 1 1 34 34 ILE CG2 C 13 16.391 0.300 . 1 . . . . 34 ILE CG2 . 10202 1 342 . 1 1 34 34 ILE HG21 H 1 0.575 0.030 . 1 . . . . 34 ILE HG2 . 10202 1 343 . 1 1 34 34 ILE HG22 H 1 0.575 0.030 . 1 . . . . 34 ILE HG2 . 10202 1 344 . 1 1 34 34 ILE HG23 H 1 0.575 0.030 . 1 . . . . 34 ILE HG2 . 10202 1 345 . 1 1 34 34 ILE CD1 C 13 14.388 0.300 . 1 . . . . 34 ILE CD1 . 10202 1 346 . 1 1 34 34 ILE HD11 H 1 0.703 0.030 . 1 . . . . 34 ILE HD1 . 10202 1 347 . 1 1 34 34 ILE HD12 H 1 0.703 0.030 . 1 . . . . 34 ILE HD1 . 10202 1 348 . 1 1 34 34 ILE HD13 H 1 0.703 0.030 . 1 . . . . 34 ILE HD1 . 10202 1 349 . 1 1 34 34 ILE C C 13 177.346 0.300 . 1 . . . . 34 ILE C . 10202 1 350 . 1 1 35 35 HIS N N 15 117.330 0.300 . 1 . . . . 35 HIS N . 10202 1 351 . 1 1 35 35 HIS H H 1 7.193 0.030 . 1 . . . . 35 HIS H . 10202 1 352 . 1 1 35 35 HIS CA C 13 54.932 0.300 . 1 . . . . 35 HIS CA . 10202 1 353 . 1 1 35 35 HIS HA H 1 4.916 0.030 . 1 . . . . 35 HIS HA . 10202 1 354 . 1 1 35 35 HIS CB C 13 28.387 0.300 . 1 . . . . 35 HIS CB . 10202 1 355 . 1 1 35 35 HIS HB2 H 1 3.283 0.030 . 2 . . . . 35 HIS HB2 . 10202 1 356 . 1 1 35 35 HIS HB3 H 1 3.369 0.030 . 2 . . . . 35 HIS HB3 . 10202 1 357 . 1 1 35 35 HIS CD2 C 13 127.594 0.300 . 1 . . . . 35 HIS CD2 . 10202 1 358 . 1 1 35 35 HIS HD2 H 1 6.717 0.030 . 1 . . . . 35 HIS HD2 . 10202 1 359 . 1 1 35 35 HIS CE1 C 13 140.421 0.300 . 1 . . . . 35 HIS CE1 . 10202 1 360 . 1 1 35 35 HIS HE1 H 1 8.117 0.030 . 1 . . . . 35 HIS HE1 . 10202 1 361 . 1 1 35 35 HIS C C 13 175.585 0.300 . 1 . . . . 35 HIS C . 10202 1 362 . 1 1 36 36 THR N N 15 112.446 0.300 . 1 . . . . 36 THR N . 10202 1 363 . 1 1 36 36 THR H H 1 7.752 0.030 . 1 . . . . 36 THR H . 10202 1 364 . 1 1 36 36 THR CA C 13 62.671 0.300 . 1 . . . . 36 THR CA . 10202 1 365 . 1 1 36 36 THR HA H 1 4.329 0.030 . 1 . . . . 36 THR HA . 10202 1 366 . 1 1 36 36 THR CB C 13 69.763 0.300 . 1 . . . . 36 THR CB . 10202 1 367 . 1 1 36 36 THR HB H 1 4.311 0.030 . 1 . . . . 36 THR HB . 10202 1 368 . 1 1 36 36 THR CG2 C 13 21.603 0.300 . 1 . . . . 36 THR CG2 . 10202 1 369 . 1 1 36 36 THR HG21 H 1 1.236 0.030 . 1 . . . . 36 THR HG2 . 10202 1 370 . 1 1 36 36 THR HG22 H 1 1.236 0.030 . 1 . . . . 36 THR HG2 . 10202 1 371 . 1 1 36 36 THR HG23 H 1 1.236 0.030 . 1 . . . . 36 THR HG2 . 10202 1 372 . 1 1 36 36 THR C C 13 175.346 0.300 . 1 . . . . 36 THR C . 10202 1 373 . 1 1 37 37 GLY N N 15 110.884 0.300 . 1 . . . . 37 GLY N . 10202 1 374 . 1 1 37 37 GLY H H 1 8.312 0.030 . 1 . . . . 37 GLY H . 10202 1 375 . 1 1 37 37 GLY CA C 13 45.315 0.300 . 1 . . . . 37 GLY CA . 10202 1 376 . 1 1 37 37 GLY HA2 H 1 3.987 0.030 . 1 . . . . 37 GLY HA2 . 10202 1 377 . 1 1 37 37 GLY HA3 H 1 3.987 0.030 . 1 . . . . 37 GLY HA3 . 10202 1 378 . 1 1 37 37 GLY C C 13 174.024 0.300 . 1 . . . . 37 GLY C . 10202 1 379 . 1 1 38 38 GLU N N 15 120.586 0.300 . 1 . . . . 38 GLU N . 10202 1 380 . 1 1 38 38 GLU H H 1 8.084 0.030 . 1 . . . . 38 GLU H . 10202 1 381 . 1 1 38 38 GLU CA C 13 56.427 0.300 . 1 . . . . 38 GLU CA . 10202 1 382 . 1 1 38 38 GLU HA H 1 4.248 0.030 . 1 . . . . 38 GLU HA . 10202 1 383 . 1 1 38 38 GLU CB C 13 30.573 0.300 . 1 . . . . 38 GLU CB . 10202 1 384 . 1 1 38 38 GLU HB2 H 1 2.001 0.030 . 2 . . . . 38 GLU HB2 . 10202 1 385 . 1 1 38 38 GLU HB3 H 1 1.921 0.030 . 2 . . . . 38 GLU HB3 . 10202 1 386 . 1 1 38 38 GLU CG C 13 36.311 0.300 . 1 . . . . 38 GLU CG . 10202 1 387 . 1 1 38 38 GLU HG2 H 1 2.219 0.030 . 2 . . . . 38 GLU HG2 . 10202 1 388 . 1 1 38 38 GLU HG3 H 1 2.262 0.030 . 2 . . . . 38 GLU HG3 . 10202 1 389 . 1 1 38 38 GLU C C 13 176.226 0.300 . 1 . . . . 38 GLU C . 10202 1 390 . 1 1 39 39 LYS N N 15 123.823 0.300 . 1 . . . . 39 LYS N . 10202 1 391 . 1 1 39 39 LYS H H 1 8.425 0.030 . 1 . . . . 39 LYS H . 10202 1 392 . 1 1 39 39 LYS CA C 13 54.118 0.300 . 1 . . . . 39 LYS CA . 10202 1 393 . 1 1 39 39 LYS HA H 1 4.604 0.030 . 1 . . . . 39 LYS HA . 10202 1 394 . 1 1 39 39 LYS CB C 13 32.536 0.300 . 1 . . . . 39 LYS CB . 10202 1 395 . 1 1 39 39 LYS HB2 H 1 1.724 0.030 . 2 . . . . 39 LYS HB2 . 10202 1 396 . 1 1 39 39 LYS HB3 H 1 1.818 0.030 . 2 . . . . 39 LYS HB3 . 10202 1 397 . 1 1 39 39 LYS CG C 13 24.486 0.300 . 1 . . . . 39 LYS CG . 10202 1 398 . 1 1 39 39 LYS HG2 H 1 1.460 0.030 . 1 . . . . 39 LYS HG2 . 10202 1 399 . 1 1 39 39 LYS HG3 H 1 1.460 0.030 . 1 . . . . 39 LYS HG3 . 10202 1 400 . 1 1 39 39 LYS CD C 13 29.162 0.300 . 1 . . . . 39 LYS CD . 10202 1 401 . 1 1 39 39 LYS HD2 H 1 1.689 0.030 . 1 . . . . 39 LYS HD2 . 10202 1 402 . 1 1 39 39 LYS HD3 H 1 1.689 0.030 . 1 . . . . 39 LYS HD3 . 10202 1 403 . 1 1 39 39 LYS CE C 13 42.106 0.300 . 1 . . . . 39 LYS CE . 10202 1 404 . 1 1 39 39 LYS HE2 H 1 2.927 0.030 . 1 . . . . 39 LYS HE2 . 10202 1 405 . 1 1 39 39 LYS HE3 H 1 2.927 0.030 . 1 . . . . 39 LYS HE3 . 10202 1 406 . 1 1 39 39 LYS C C 13 174.461 0.300 . 1 . . . . 39 LYS C . 10202 1 407 . 1 1 40 40 PRO CA C 13 63.231 0.300 . 1 . . . . 40 PRO CA . 10202 1 408 . 1 1 40 40 PRO HA H 1 4.460 0.030 . 1 . . . . 40 PRO HA . 10202 1 409 . 1 1 40 40 PRO CB C 13 32.200 0.300 . 1 . . . . 40 PRO CB . 10202 1 410 . 1 1 40 40 PRO HB2 H 1 2.297 0.030 . 2 . . . . 40 PRO HB2 . 10202 1 411 . 1 1 40 40 PRO HB3 H 1 1.970 0.030 . 2 . . . . 40 PRO HB3 . 10202 1 412 . 1 1 40 40 PRO CG C 13 27.377 0.300 . 1 . . . . 40 PRO CG . 10202 1 413 . 1 1 40 40 PRO HG2 H 1 2.020 0.030 . 1 . . . . 40 PRO HG2 . 10202 1 414 . 1 1 40 40 PRO HG3 H 1 2.020 0.030 . 1 . . . . 40 PRO HG3 . 10202 1 415 . 1 1 40 40 PRO CD C 13 50.705 0.300 . 1 . . . . 40 PRO CD . 10202 1 416 . 1 1 40 40 PRO HD2 H 1 3.638 0.030 . 2 . . . . 40 PRO HD2 . 10202 1 417 . 1 1 40 40 PRO HD3 H 1 3.821 0.030 . 2 . . . . 40 PRO HD3 . 10202 1 418 . 1 1 40 40 PRO C C 13 176.951 0.300 . 1 . . . . 40 PRO C . 10202 1 419 . 1 1 41 41 SER N N 15 116.497 0.300 . 1 . . . . 41 SER N . 10202 1 420 . 1 1 41 41 SER H H 1 8.475 0.030 . 1 . . . . 41 SER H . 10202 1 421 . 1 1 41 41 SER CA C 13 58.375 0.300 . 1 . . . . 41 SER CA . 10202 1 422 . 1 1 41 41 SER HA H 1 4.491 0.030 . 1 . . . . 41 SER HA . 10202 1 423 . 1 1 41 41 SER CB C 13 63.953 0.300 . 1 . . . . 41 SER CB . 10202 1 424 . 1 1 41 41 SER HB2 H 1 3.894 0.030 . 2 . . . . 41 SER HB2 . 10202 1 425 . 1 1 41 41 SER C C 13 174.588 0.300 . 1 . . . . 41 SER C . 10202 1 426 . 1 1 42 42 GLY CA C 13 44.665 0.300 . 1 . . . . 42 GLY CA . 10202 1 427 . 1 1 42 42 GLY HA2 H 1 4.111 0.030 . 2 . . . . 42 GLY HA2 . 10202 1 428 . 1 1 42 42 GLY HA3 H 1 4.153 0.030 . 2 . . . . 42 GLY HA3 . 10202 1 429 . 1 1 43 43 PRO CA C 13 63.238 0.300 . 1 . . . . 43 PRO CA . 10202 1 430 . 1 1 43 43 PRO HA H 1 4.467 0.030 . 1 . . . . 43 PRO HA . 10202 1 431 . 1 1 43 43 PRO CB C 13 32.174 0.300 . 1 . . . . 43 PRO CB . 10202 1 432 . 1 1 43 43 PRO HB2 H 1 1.936 0.030 . 2 . . . . 43 PRO HB2 . 10202 1 433 . 1 1 43 43 PRO HB3 H 1 2.324 0.030 . 2 . . . . 43 PRO HB3 . 10202 1 434 . 1 1 43 43 PRO CG C 13 27.176 0.300 . 1 . . . . 43 PRO CG . 10202 1 435 . 1 1 43 43 PRO HG2 H 1 2.015 0.030 . 1 . . . . 43 PRO HG2 . 10202 1 436 . 1 1 43 43 PRO HG3 H 1 2.015 0.030 . 1 . . . . 43 PRO HG3 . 10202 1 437 . 1 1 43 43 PRO CD C 13 49.835 0.300 . 1 . . . . 43 PRO CD . 10202 1 438 . 1 1 43 43 PRO HD2 H 1 3.624 0.030 . 1 . . . . 43 PRO HD2 . 10202 1 439 . 1 1 43 43 PRO HD3 H 1 3.624 0.030 . 1 . . . . 43 PRO HD3 . 10202 1 440 . 1 1 45 45 SER CA C 13 58.360 0.300 . 1 . . . . 45 SER CA . 10202 1 441 . 1 1 45 45 SER HA H 1 4.482 0.030 . 1 . . . . 45 SER HA . 10202 1 442 . 1 1 45 45 SER CB C 13 64.038 0.300 . 1 . . . . 45 SER CB . 10202 1 443 . 1 1 45 45 SER HB2 H 1 3.884 0.030 . 1 . . . . 45 SER HB2 . 10202 1 444 . 1 1 45 45 SER HB3 H 1 3.884 0.030 . 1 . . . . 45 SER HB3 . 10202 1 445 . 1 1 45 45 SER C C 13 173.890 0.300 . 1 . . . . 45 SER C . 10202 1 446 . 1 1 46 46 GLY N N 15 116.864 0.300 . 1 . . . . 46 GLY N . 10202 1 447 . 1 1 46 46 GLY H H 1 8.056 0.030 . 1 . . . . 46 GLY H . 10202 1 448 . 1 1 46 46 GLY CA C 13 46.196 0.300 . 1 . . . . 46 GLY CA . 10202 1 449 . 1 1 46 46 GLY HA2 H 1 3.778 0.030 . 1 . . . . 46 GLY HA2 . 10202 1 450 . 1 1 46 46 GLY HA3 H 1 3.778 0.030 . 1 . . . . 46 GLY HA3 . 10202 1 451 . 1 1 46 46 GLY C C 13 178.965 0.300 . 1 . . . . 46 GLY C . 10202 1 stop_ save_