################################### # 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 10187 _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 10187 1 2 '3D 15N-separated NOESY' 1 $sample_1 isotropic 10187 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 9 9 GLY CA C 13 45.161 0.300 . 1 . . . . 9 GLY CA . 10187 1 2 . 1 1 9 9 GLY HA2 H 1 3.930 0.030 . 2 . . . . 9 GLY HA2 . 10187 1 3 . 1 1 9 9 GLY C C 13 174.105 0.300 . 1 . . . . 9 GLY C . 10187 1 4 . 1 1 10 10 GLU N N 15 120.165 0.300 . 1 . . . . 10 GLU N . 10187 1 5 . 1 1 10 10 GLU H H 1 8.176 0.030 . 1 . . . . 10 GLU H . 10187 1 6 . 1 1 10 10 GLU CA C 13 56.826 0.300 . 1 . . . . 10 GLU CA . 10187 1 7 . 1 1 10 10 GLU HA H 1 4.181 0.030 . 1 . . . . 10 GLU HA . 10187 1 8 . 1 1 10 10 GLU CB C 13 30.258 0.300 . 1 . . . . 10 GLU CB . 10187 1 9 . 1 1 10 10 GLU HB2 H 1 1.934 0.030 . 2 . . . . 10 GLU HB2 . 10187 1 10 . 1 1 10 10 GLU HB3 H 1 1.963 0.030 . 2 . . . . 10 GLU HB3 . 10187 1 11 . 1 1 10 10 GLU CG C 13 36.266 0.300 . 1 . . . . 10 GLU CG . 10187 1 12 . 1 1 10 10 GLU HG2 H 1 2.218 0.030 . 1 . . . . 10 GLU HG2 . 10187 1 13 . 1 1 10 10 GLU HG3 H 1 2.218 0.030 . 1 . . . . 10 GLU HG3 . 10187 1 14 . 1 1 10 10 GLU C C 13 176.388 0.300 . 1 . . . . 10 GLU C . 10187 1 15 . 1 1 11 11 LYS N N 15 121.439 0.300 . 1 . . . . 11 LYS N . 10187 1 16 . 1 1 11 11 LYS H H 1 8.315 0.030 . 1 . . . . 11 LYS H . 10187 1 17 . 1 1 11 11 LYS CA C 13 53.977 0.300 . 1 . . . . 11 LYS CA . 10187 1 18 . 1 1 11 11 LYS HA H 1 4.539 0.030 . 1 . . . . 11 LYS HA . 10187 1 19 . 1 1 11 11 LYS CB C 13 33.584 0.300 . 1 . . . . 11 LYS CB . 10187 1 20 . 1 1 11 11 LYS HB2 H 1 1.458 0.030 . 2 . . . . 11 LYS HB2 . 10187 1 21 . 1 1 11 11 LYS HB3 H 1 1.616 0.030 . 2 . . . . 11 LYS HB3 . 10187 1 22 . 1 1 11 11 LYS CG C 13 24.970 0.300 . 1 . . . . 11 LYS CG . 10187 1 23 . 1 1 11 11 LYS HG2 H 1 1.185 0.030 . 2 . . . . 11 LYS HG2 . 10187 1 24 . 1 1 11 11 LYS HG3 H 1 1.324 0.030 . 2 . . . . 11 LYS HG3 . 10187 1 25 . 1 1 11 11 LYS CD C 13 29.781 0.300 . 1 . . . . 11 LYS CD . 10187 1 26 . 1 1 11 11 LYS HD2 H 1 1.456 0.030 . 1 . . . . 11 LYS HD2 . 10187 1 27 . 1 1 11 11 LYS HD3 H 1 1.456 0.030 . 1 . . . . 11 LYS HD3 . 10187 1 28 . 1 1 11 11 LYS CE C 13 42.296 0.300 . 1 . . . . 11 LYS CE . 10187 1 29 . 1 1 11 11 LYS HE2 H 1 2.886 0.030 . 1 . . . . 11 LYS HE2 . 10187 1 30 . 1 1 11 11 LYS HE3 H 1 2.886 0.030 . 1 . . . . 11 LYS HE3 . 10187 1 31 . 1 1 11 11 LYS C C 13 174.251 0.300 . 1 . . . . 11 LYS C . 10187 1 32 . 1 1 12 12 PRO CA C 13 63.666 0.300 . 1 . . . . 12 PRO CA . 10187 1 33 . 1 1 12 12 PRO HA H 1 4.244 0.030 . 1 . . . . 12 PRO HA . 10187 1 34 . 1 1 12 12 PRO CB C 13 32.293 0.300 . 1 . . . . 12 PRO CB . 10187 1 35 . 1 1 12 12 PRO HB2 H 1 1.193 0.030 . 2 . . . . 12 PRO HB2 . 10187 1 36 . 1 1 12 12 PRO HB3 H 1 1.998 0.030 . 2 . . . . 12 PRO HB3 . 10187 1 37 . 1 1 12 12 PRO CG C 13 26.656 0.300 . 1 . . . . 12 PRO CG . 10187 1 38 . 1 1 12 12 PRO HG2 H 1 1.596 0.030 . 2 . . . . 12 PRO HG2 . 10187 1 39 . 1 1 12 12 PRO HG3 H 1 1.781 0.030 . 2 . . . . 12 PRO HG3 . 10187 1 40 . 1 1 12 12 PRO CD C 13 50.494 0.300 . 1 . . . . 12 PRO CD . 10187 1 41 . 1 1 12 12 PRO HD2 H 1 3.671 0.030 . 1 . . . . 12 PRO HD2 . 10187 1 42 . 1 1 12 12 PRO HD3 H 1 3.671 0.030 . 1 . . . . 12 PRO HD3 . 10187 1 43 . 1 1 12 12 PRO C C 13 176.348 0.300 . 1 . . . . 12 PRO C . 10187 1 44 . 1 1 13 13 PHE N N 15 117.694 0.300 . 1 . . . . 13 PHE N . 10187 1 45 . 1 1 13 13 PHE H H 1 7.752 0.030 . 1 . . . . 13 PHE H . 10187 1 46 . 1 1 13 13 PHE CA C 13 57.418 0.300 . 1 . . . . 13 PHE CA . 10187 1 47 . 1 1 13 13 PHE HA H 1 4.709 0.030 . 1 . . . . 13 PHE HA . 10187 1 48 . 1 1 13 13 PHE CB C 13 39.785 0.300 . 1 . . . . 13 PHE CB . 10187 1 49 . 1 1 13 13 PHE HB2 H 1 3.047 0.030 . 2 . . . . 13 PHE HB2 . 10187 1 50 . 1 1 13 13 PHE HB3 H 1 2.840 0.030 . 2 . . . . 13 PHE HB3 . 10187 1 51 . 1 1 13 13 PHE CD1 C 13 131.826 0.300 . 1 . . . . 13 PHE CD1 . 10187 1 52 . 1 1 13 13 PHE HD1 H 1 7.069 0.030 . 1 . . . . 13 PHE HD1 . 10187 1 53 . 1 1 13 13 PHE CD2 C 13 131.826 0.300 . 1 . . . . 13 PHE CD2 . 10187 1 54 . 1 1 13 13 PHE HD2 H 1 7.069 0.030 . 1 . . . . 13 PHE HD2 . 10187 1 55 . 1 1 13 13 PHE CE1 C 13 131.632 0.300 . 1 . . . . 13 PHE CE1 . 10187 1 56 . 1 1 13 13 PHE HE1 H 1 7.375 0.030 . 1 . . . . 13 PHE HE1 . 10187 1 57 . 1 1 13 13 PHE CE2 C 13 131.632 0.300 . 1 . . . . 13 PHE CE2 . 10187 1 58 . 1 1 13 13 PHE HE2 H 1 7.375 0.030 . 1 . . . . 13 PHE HE2 . 10187 1 59 . 1 1 13 13 PHE CZ C 13 130.196 0.300 . 1 . . . . 13 PHE CZ . 10187 1 60 . 1 1 13 13 PHE HZ H 1 7.360 0.030 . 1 . . . . 13 PHE HZ . 10187 1 61 . 1 1 13 13 PHE C C 13 174.405 0.300 . 1 . . . . 13 PHE C . 10187 1 62 . 1 1 14 14 GLN N N 15 124.070 0.300 . 1 . . . . 14 GLN N . 10187 1 63 . 1 1 14 14 GLN H H 1 8.923 0.030 . 1 . . . . 14 GLN H . 10187 1 64 . 1 1 14 14 GLN CA C 13 54.279 0.300 . 1 . . . . 14 GLN CA . 10187 1 65 . 1 1 14 14 GLN HA H 1 5.160 0.030 . 1 . . . . 14 GLN HA . 10187 1 66 . 1 1 14 14 GLN CB C 13 32.341 0.300 . 1 . . . . 14 GLN CB . 10187 1 67 . 1 1 14 14 GLN HB2 H 1 2.008 0.030 . 2 . . . . 14 GLN HB2 . 10187 1 68 . 1 1 14 14 GLN HB3 H 1 1.650 0.030 . 2 . . . . 14 GLN HB3 . 10187 1 69 . 1 1 14 14 GLN CG C 13 33.580 0.300 . 1 . . . . 14 GLN CG . 10187 1 70 . 1 1 14 14 GLN HG2 H 1 1.994 0.030 . 1 . . . . 14 GLN HG2 . 10187 1 71 . 1 1 14 14 GLN HG3 H 1 1.994 0.030 . 1 . . . . 14 GLN HG3 . 10187 1 72 . 1 1 14 14 GLN NE2 N 15 111.933 0.300 . 1 . . . . 14 GLN NE2 . 10187 1 73 . 1 1 14 14 GLN HE21 H 1 6.764 0.030 . 2 . . . . 14 GLN HE21 . 10187 1 74 . 1 1 14 14 GLN HE22 H 1 7.628 0.030 . 2 . . . . 14 GLN HE22 . 10187 1 75 . 1 1 14 14 GLN C C 13 173.888 0.300 . 1 . . . . 14 GLN C . 10187 1 76 . 1 1 15 15 CYS N N 15 117.013 0.300 . 1 . . . . 15 CYS N . 10187 1 77 . 1 1 15 15 CYS H H 1 9.281 0.030 . 1 . . . . 15 CYS H . 10187 1 78 . 1 1 15 15 CYS CA C 13 59.545 0.300 . 1 . . . . 15 CYS CA . 10187 1 79 . 1 1 15 15 CYS HA H 1 4.571 0.030 . 1 . . . . 15 CYS HA . 10187 1 80 . 1 1 15 15 CYS CB C 13 29.720 0.300 . 1 . . . . 15 CYS CB . 10187 1 81 . 1 1 15 15 CYS HB2 H 1 3.390 0.030 . 2 . . . . 15 CYS HB2 . 10187 1 82 . 1 1 15 15 CYS HB3 H 1 2.884 0.030 . 2 . . . . 15 CYS HB3 . 10187 1 83 . 1 1 15 15 CYS C C 13 177.248 0.300 . 1 . . . . 15 CYS C . 10187 1 84 . 1 1 16 16 GLU N N 15 121.917 0.300 . 1 . . . . 16 GLU N . 10187 1 85 . 1 1 16 16 GLU H H 1 9.724 0.030 . 1 . . . . 16 GLU H . 10187 1 86 . 1 1 16 16 GLU CA C 13 58.765 0.300 . 1 . . . . 16 GLU CA . 10187 1 87 . 1 1 16 16 GLU HA H 1 4.143 0.030 . 1 . . . . 16 GLU HA . 10187 1 88 . 1 1 16 16 GLU CB C 13 29.678 0.300 . 1 . . . . 16 GLU CB . 10187 1 89 . 1 1 16 16 GLU HB2 H 1 2.159 0.030 . 2 . . . . 16 GLU HB2 . 10187 1 90 . 1 1 16 16 GLU HB3 H 1 2.085 0.030 . 2 . . . . 16 GLU HB3 . 10187 1 91 . 1 1 16 16 GLU CG C 13 36.506 0.300 . 1 . . . . 16 GLU CG . 10187 1 92 . 1 1 16 16 GLU HG2 H 1 2.350 0.030 . 2 . . . . 16 GLU HG2 . 10187 1 93 . 1 1 16 16 GLU HG3 H 1 2.440 0.030 . 2 . . . . 16 GLU HG3 . 10187 1 94 . 1 1 16 16 GLU C C 13 177.332 0.300 . 1 . . . . 16 GLU C . 10187 1 95 . 1 1 17 17 GLU N N 15 125.342 0.300 . 1 . . . . 17 GLU N . 10187 1 96 . 1 1 17 17 GLU H H 1 7.948 0.030 . 1 . . . . 17 GLU H . 10187 1 97 . 1 1 17 17 GLU CA C 13 58.478 0.300 . 1 . . . . 17 GLU CA . 10187 1 98 . 1 1 17 17 GLU HA H 1 4.195 0.030 . 1 . . . . 17 GLU HA . 10187 1 99 . 1 1 17 17 GLU CB C 13 29.553 0.300 . 1 . . . . 17 GLU CB . 10187 1 100 . 1 1 17 17 GLU HB2 H 1 1.317 0.030 . 2 . . . . 17 GLU HB2 . 10187 1 101 . 1 1 17 17 GLU HB3 H 1 1.444 0.030 . 2 . . . . 17 GLU HB3 . 10187 1 102 . 1 1 17 17 GLU CG C 13 35.528 0.300 . 1 . . . . 17 GLU CG . 10187 1 103 . 1 1 17 17 GLU HG2 H 1 1.716 0.030 . 2 . . . . 17 GLU HG2 . 10187 1 104 . 1 1 17 17 GLU HG3 H 1 1.870 0.030 . 2 . . . . 17 GLU HG3 . 10187 1 105 . 1 1 17 17 GLU C C 13 176.702 0.300 . 1 . . . . 17 GLU C . 10187 1 106 . 1 1 18 18 CYS N N 15 120.318 0.300 . 1 . . . . 18 CYS N . 10187 1 107 . 1 1 18 18 CYS H H 1 8.582 0.030 . 1 . . . . 18 CYS H . 10187 1 108 . 1 1 18 18 CYS CA C 13 58.297 0.300 . 1 . . . . 18 CYS CA . 10187 1 109 . 1 1 18 18 CYS HA H 1 5.188 0.030 . 1 . . . . 18 CYS HA . 10187 1 110 . 1 1 18 18 CYS CB C 13 32.633 0.300 . 1 . . . . 18 CYS CB . 10187 1 111 . 1 1 18 18 CYS HB2 H 1 3.451 0.030 . 2 . . . . 18 CYS HB2 . 10187 1 112 . 1 1 18 18 CYS HB3 H 1 2.855 0.030 . 2 . . . . 18 CYS HB3 . 10187 1 113 . 1 1 18 18 CYS C C 13 176.394 0.300 . 1 . . . . 18 CYS C . 10187 1 114 . 1 1 19 19 GLY N N 15 113.672 0.300 . 1 . . . . 19 GLY N . 10187 1 115 . 1 1 19 19 GLY H H 1 8.197 0.030 . 1 . . . . 19 GLY H . 10187 1 116 . 1 1 19 19 GLY CA C 13 46.144 0.300 . 1 . . . . 19 GLY CA . 10187 1 117 . 1 1 19 19 GLY HA2 H 1 4.273 0.030 . 2 . . . . 19 GLY HA2 . 10187 1 118 . 1 1 19 19 GLY HA3 H 1 3.815 0.030 . 2 . . . . 19 GLY HA3 . 10187 1 119 . 1 1 19 19 GLY C C 13 174.170 0.300 . 1 . . . . 19 GLY C . 10187 1 120 . 1 1 20 20 LYS N N 15 123.697 0.300 . 1 . . . . 20 LYS N . 10187 1 121 . 1 1 20 20 LYS H H 1 8.041 0.030 . 1 . . . . 20 LYS H . 10187 1 122 . 1 1 20 20 LYS CA C 13 58.531 0.300 . 1 . . . . 20 LYS CA . 10187 1 123 . 1 1 20 20 LYS HA H 1 3.945 0.030 . 1 . . . . 20 LYS HA . 10187 1 124 . 1 1 20 20 LYS CB C 13 33.689 0.300 . 1 . . . . 20 LYS CB . 10187 1 125 . 1 1 20 20 LYS HB2 H 1 1.439 0.030 . 2 . . . . 20 LYS HB2 . 10187 1 126 . 1 1 20 20 LYS HB3 H 1 1.217 0.030 . 2 . . . . 20 LYS HB3 . 10187 1 127 . 1 1 20 20 LYS CG C 13 26.407 0.300 . 1 . . . . 20 LYS CG . 10187 1 128 . 1 1 20 20 LYS HG2 H 1 1.055 0.030 . 2 . . . . 20 LYS HG2 . 10187 1 129 . 1 1 20 20 LYS HG3 H 1 1.447 0.030 . 2 . . . . 20 LYS HG3 . 10187 1 130 . 1 1 20 20 LYS CD C 13 29.401 0.300 . 1 . . . . 20 LYS CD . 10187 1 131 . 1 1 20 20 LYS HD2 H 1 1.482 0.030 . 2 . . . . 20 LYS HD2 . 10187 1 132 . 1 1 20 20 LYS HD3 H 1 1.424 0.030 . 2 . . . . 20 LYS HD3 . 10187 1 133 . 1 1 20 20 LYS CE C 13 42.187 0.300 . 1 . . . . 20 LYS CE . 10187 1 134 . 1 1 20 20 LYS HE2 H 1 2.976 0.030 . 2 . . . . 20 LYS HE2 . 10187 1 135 . 1 1 20 20 LYS HE3 H 1 2.925 0.030 . 2 . . . . 20 LYS HE3 . 10187 1 136 . 1 1 20 20 LYS C C 13 174.434 0.300 . 1 . . . . 20 LYS C . 10187 1 137 . 1 1 21 21 ARG N N 15 119.834 0.300 . 1 . . . . 21 ARG N . 10187 1 138 . 1 1 21 21 ARG H H 1 7.850 0.030 . 1 . . . . 21 ARG H . 10187 1 139 . 1 1 21 21 ARG CA C 13 54.746 0.300 . 1 . . . . 21 ARG CA . 10187 1 140 . 1 1 21 21 ARG HA H 1 5.181 0.030 . 1 . . . . 21 ARG HA . 10187 1 141 . 1 1 21 21 ARG CB C 13 33.630 0.300 . 1 . . . . 21 ARG CB . 10187 1 142 . 1 1 21 21 ARG HB2 H 1 1.822 0.030 . 2 . . . . 21 ARG HB2 . 10187 1 143 . 1 1 21 21 ARG HB3 H 1 1.429 0.030 . 2 . . . . 21 ARG HB3 . 10187 1 144 . 1 1 21 21 ARG CG C 13 28.577 0.300 . 1 . . . . 21 ARG CG . 10187 1 145 . 1 1 21 21 ARG HG2 H 1 1.280 0.030 . 2 . . . . 21 ARG HG2 . 10187 1 146 . 1 1 21 21 ARG HG3 H 1 1.771 0.030 . 2 . . . . 21 ARG HG3 . 10187 1 147 . 1 1 21 21 ARG CD C 13 43.310 0.300 . 1 . . . . 21 ARG CD . 10187 1 148 . 1 1 21 21 ARG HD2 H 1 3.185 0.030 . 1 . . . . 21 ARG HD2 . 10187 1 149 . 1 1 21 21 ARG HD3 H 1 3.185 0.030 . 1 . . . . 21 ARG HD3 . 10187 1 150 . 1 1 21 21 ARG C C 13 175.430 0.300 . 1 . . . . 21 ARG C . 10187 1 151 . 1 1 22 22 PHE N N 15 116.396 0.300 . 1 . . . . 22 PHE N . 10187 1 152 . 1 1 22 22 PHE H H 1 8.788 0.030 . 1 . . . . 22 PHE H . 10187 1 153 . 1 1 22 22 PHE CA C 13 57.095 0.300 . 1 . . . . 22 PHE CA . 10187 1 154 . 1 1 22 22 PHE HA H 1 4.895 0.030 . 1 . . . . 22 PHE HA . 10187 1 155 . 1 1 22 22 PHE CB C 13 44.347 0.300 . 1 . . . . 22 PHE CB . 10187 1 156 . 1 1 22 22 PHE HB2 H 1 3.550 0.030 . 2 . . . . 22 PHE HB2 . 10187 1 157 . 1 1 22 22 PHE HB3 H 1 2.628 0.030 . 2 . . . . 22 PHE HB3 . 10187 1 158 . 1 1 22 22 PHE CD1 C 13 132.398 0.300 . 1 . . . . 22 PHE CD1 . 10187 1 159 . 1 1 22 22 PHE HD1 H 1 7.205 0.030 . 1 . . . . 22 PHE HD1 . 10187 1 160 . 1 1 22 22 PHE CD2 C 13 132.398 0.300 . 1 . . . . 22 PHE CD2 . 10187 1 161 . 1 1 22 22 PHE HD2 H 1 7.205 0.030 . 1 . . . . 22 PHE HD2 . 10187 1 162 . 1 1 22 22 PHE CE1 C 13 130.773 0.300 . 1 . . . . 22 PHE CE1 . 10187 1 163 . 1 1 22 22 PHE HE1 H 1 6.864 0.030 . 1 . . . . 22 PHE HE1 . 10187 1 164 . 1 1 22 22 PHE CE2 C 13 130.773 0.300 . 1 . . . . 22 PHE CE2 . 10187 1 165 . 1 1 22 22 PHE HE2 H 1 6.864 0.030 . 1 . . . . 22 PHE HE2 . 10187 1 166 . 1 1 22 22 PHE CZ C 13 128.773 0.300 . 1 . . . . 22 PHE CZ . 10187 1 167 . 1 1 22 22 PHE HZ H 1 6.096 0.030 . 1 . . . . 22 PHE HZ . 10187 1 168 . 1 1 22 22 PHE C C 13 175.617 0.300 . 1 . . . . 22 PHE C . 10187 1 169 . 1 1 23 23 THR N N 15 112.933 0.300 . 1 . . . . 23 THR N . 10187 1 170 . 1 1 23 23 THR H H 1 9.631 0.030 . 1 . . . . 23 THR H . 10187 1 171 . 1 1 23 23 THR CA C 13 64.070 0.300 . 1 . . . . 23 THR CA . 10187 1 172 . 1 1 23 23 THR HA H 1 4.522 0.030 . 1 . . . . 23 THR HA . 10187 1 173 . 1 1 23 23 THR CB C 13 69.777 0.300 . 1 . . . . 23 THR CB . 10187 1 174 . 1 1 23 23 THR HB H 1 4.481 0.030 . 1 . . . . 23 THR HB . 10187 1 175 . 1 1 23 23 THR CG2 C 13 22.836 0.300 . 1 . . . . 23 THR CG2 . 10187 1 176 . 1 1 23 23 THR HG21 H 1 1.439 0.030 . 1 . . . . 23 THR HG2 . 10187 1 177 . 1 1 23 23 THR HG22 H 1 1.439 0.030 . 1 . . . . 23 THR HG2 . 10187 1 178 . 1 1 23 23 THR HG23 H 1 1.439 0.030 . 1 . . . . 23 THR HG2 . 10187 1 179 . 1 1 23 23 THR C C 13 174.715 0.300 . 1 . . . . 23 THR C . 10187 1 180 . 1 1 24 24 GLN N N 15 115.100 0.300 . 1 . . . . 24 GLN N . 10187 1 181 . 1 1 24 24 GLN H H 1 7.065 0.030 . 1 . . . . 24 GLN H . 10187 1 182 . 1 1 24 24 GLN CA C 13 53.879 0.300 . 1 . . . . 24 GLN CA . 10187 1 183 . 1 1 24 24 GLN HA H 1 4.636 0.030 . 1 . . . . 24 GLN HA . 10187 1 184 . 1 1 24 24 GLN CB C 13 31.873 0.300 . 1 . . . . 24 GLN CB . 10187 1 185 . 1 1 24 24 GLN HB2 H 1 1.926 0.030 . 2 . . . . 24 GLN HB2 . 10187 1 186 . 1 1 24 24 GLN HB3 H 1 0.882 0.030 . 2 . . . . 24 GLN HB3 . 10187 1 187 . 1 1 24 24 GLN CG C 13 33.318 0.300 . 1 . . . . 24 GLN CG . 10187 1 188 . 1 1 24 24 GLN HG2 H 1 2.087 0.030 . 2 . . . . 24 GLN HG2 . 10187 1 189 . 1 1 24 24 GLN HG3 H 1 2.171 0.030 . 2 . . . . 24 GLN HG3 . 10187 1 190 . 1 1 24 24 GLN NE2 N 15 111.687 0.300 . 1 . . . . 24 GLN NE2 . 10187 1 191 . 1 1 24 24 GLN HE21 H 1 6.830 0.030 . 2 . . . . 24 GLN HE21 . 10187 1 192 . 1 1 24 24 GLN HE22 H 1 7.298 0.030 . 2 . . . . 24 GLN HE22 . 10187 1 193 . 1 1 24 24 GLN C C 13 175.862 0.300 . 1 . . . . 24 GLN C . 10187 1 194 . 1 1 25 25 ASN CA C 13 55.617 0.300 . 1 . . . . 25 ASN CA . 10187 1 195 . 1 1 25 25 ASN HA H 1 3.376 0.030 . 1 . . . . 25 ASN HA . 10187 1 196 . 1 1 25 25 ASN CB C 13 38.001 0.300 . 1 . . . . 25 ASN CB . 10187 1 197 . 1 1 25 25 ASN HB2 H 1 2.002 0.030 . 2 . . . . 25 ASN HB2 . 10187 1 198 . 1 1 25 25 ASN HB3 H 1 2.235 0.030 . 2 . . . . 25 ASN HB3 . 10187 1 199 . 1 1 25 25 ASN ND2 N 15 111.001 0.300 . 1 . . . . 25 ASN ND2 . 10187 1 200 . 1 1 25 25 ASN HD21 H 1 6.694 0.030 . 2 . . . . 25 ASN HD21 . 10187 1 201 . 1 1 25 25 ASN HD22 H 1 7.119 0.030 . 2 . . . . 25 ASN HD22 . 10187 1 202 . 1 1 26 26 SER CA C 13 60.922 0.300 . 1 . . . . 26 SER CA . 10187 1 203 . 1 1 26 26 SER HA H 1 4.009 0.030 . 1 . . . . 26 SER HA . 10187 1 204 . 1 1 26 26 SER CB C 13 61.595 0.300 . 1 . . . . 26 SER CB . 10187 1 205 . 1 1 26 26 SER HB2 H 1 3.827 0.030 . 1 . . . . 26 SER HB2 . 10187 1 206 . 1 1 26 26 SER HB3 H 1 3.827 0.030 . 1 . . . . 26 SER HB3 . 10187 1 207 . 1 1 26 26 SER C C 13 177.198 0.300 . 1 . . . . 26 SER C . 10187 1 208 . 1 1 27 27 HIS N N 15 121.685 0.300 . 1 . . . . 27 HIS N . 10187 1 209 . 1 1 27 27 HIS H H 1 6.680 0.030 . 1 . . . . 27 HIS H . 10187 1 210 . 1 1 27 27 HIS CA C 13 56.723 0.300 . 1 . . . . 27 HIS CA . 10187 1 211 . 1 1 27 27 HIS HA H 1 4.500 0.030 . 1 . . . . 27 HIS HA . 10187 1 212 . 1 1 27 27 HIS CB C 13 31.798 0.300 . 1 . . . . 27 HIS CB . 10187 1 213 . 1 1 27 27 HIS HB2 H 1 3.267 0.030 . 2 . . . . 27 HIS HB2 . 10187 1 214 . 1 1 27 27 HIS HB3 H 1 3.306 0.030 . 2 . . . . 27 HIS HB3 . 10187 1 215 . 1 1 27 27 HIS CD2 C 13 117.023 0.300 . 1 . . . . 27 HIS CD2 . 10187 1 216 . 1 1 27 27 HIS HD2 H 1 6.968 0.030 . 1 . . . . 27 HIS HD2 . 10187 1 217 . 1 1 27 27 HIS CE1 C 13 139.118 0.300 . 1 . . . . 27 HIS CE1 . 10187 1 218 . 1 1 27 27 HIS HE1 H 1 7.755 0.030 . 1 . . . . 27 HIS HE1 . 10187 1 219 . 1 1 27 27 HIS C C 13 178.161 0.300 . 1 . . . . 27 HIS C . 10187 1 220 . 1 1 28 28 LEU N N 15 121.741 0.300 . 1 . . . . 28 LEU N . 10187 1 221 . 1 1 28 28 LEU H H 1 6.910 0.030 . 1 . . . . 28 LEU H . 10187 1 222 . 1 1 28 28 LEU CA C 13 57.762 0.300 . 1 . . . . 28 LEU CA . 10187 1 223 . 1 1 28 28 LEU HA H 1 3.087 0.030 . 1 . . . . 28 LEU HA . 10187 1 224 . 1 1 28 28 LEU CB C 13 40.341 0.300 . 1 . . . . 28 LEU CB . 10187 1 225 . 1 1 28 28 LEU HB2 H 1 1.978 0.030 . 2 . . . . 28 LEU HB2 . 10187 1 226 . 1 1 28 28 LEU HB3 H 1 1.105 0.030 . 2 . . . . 28 LEU HB3 . 10187 1 227 . 1 1 28 28 LEU CG C 13 27.569 0.300 . 1 . . . . 28 LEU CG . 10187 1 228 . 1 1 28 28 LEU HG H 1 1.463 0.030 . 1 . . . . 28 LEU HG . 10187 1 229 . 1 1 28 28 LEU CD1 C 13 26.502 0.300 . 2 . . . . 28 LEU CD1 . 10187 1 230 . 1 1 28 28 LEU HD11 H 1 1.042 0.030 . 1 . . . . 28 LEU HD1 . 10187 1 231 . 1 1 28 28 LEU HD12 H 1 1.042 0.030 . 1 . . . . 28 LEU HD1 . 10187 1 232 . 1 1 28 28 LEU HD13 H 1 1.042 0.030 . 1 . . . . 28 LEU HD1 . 10187 1 233 . 1 1 28 28 LEU CD2 C 13 23.133 0.300 . 2 . . . . 28 LEU CD2 . 10187 1 234 . 1 1 28 28 LEU HD21 H 1 0.995 0.030 . 1 . . . . 28 LEU HD2 . 10187 1 235 . 1 1 28 28 LEU HD22 H 1 0.995 0.030 . 1 . . . . 28 LEU HD2 . 10187 1 236 . 1 1 28 28 LEU HD23 H 1 0.995 0.030 . 1 . . . . 28 LEU HD2 . 10187 1 237 . 1 1 28 28 LEU C C 13 177.649 0.300 . 1 . . . . 28 LEU C . 10187 1 238 . 1 1 29 29 HIS N N 15 118.276 0.300 . 1 . . . . 29 HIS N . 10187 1 239 . 1 1 29 29 HIS H H 1 8.195 0.030 . 1 . . . . 29 HIS H . 10187 1 240 . 1 1 29 29 HIS CA C 13 59.210 0.300 . 1 . . . . 29 HIS CA . 10187 1 241 . 1 1 29 29 HIS HA H 1 4.387 0.030 . 1 . . . . 29 HIS HA . 10187 1 242 . 1 1 29 29 HIS CB C 13 29.860 0.300 . 1 . . . . 29 HIS CB . 10187 1 243 . 1 1 29 29 HIS HB2 H 1 3.085 0.030 . 1 . . . . 29 HIS HB2 . 10187 1 244 . 1 1 29 29 HIS HB3 H 1 3.085 0.030 . 1 . . . . 29 HIS HB3 . 10187 1 245 . 1 1 29 29 HIS CD2 C 13 119.354 0.300 . 1 . . . . 29 HIS CD2 . 10187 1 246 . 1 1 29 29 HIS HD2 H 1 6.938 0.030 . 1 . . . . 29 HIS HD2 . 10187 1 247 . 1 1 29 29 HIS CE1 C 13 138.031 0.300 . 1 . . . . 29 HIS CE1 . 10187 1 248 . 1 1 29 29 HIS HE1 H 1 7.821 0.030 . 1 . . . . 29 HIS HE1 . 10187 1 249 . 1 1 29 29 HIS C C 13 178.599 0.300 . 1 . . . . 29 HIS C . 10187 1 250 . 1 1 30 30 SER N N 15 113.782 0.300 . 1 . . . . 30 SER N . 10187 1 251 . 1 1 30 30 SER H H 1 7.957 0.030 . 1 . . . . 30 SER H . 10187 1 252 . 1 1 30 30 SER CA C 13 61.487 0.300 . 1 . . . . 30 SER CA . 10187 1 253 . 1 1 30 30 SER HA H 1 4.135 0.030 . 1 . . . . 30 SER HA . 10187 1 254 . 1 1 30 30 SER CB C 13 62.677 0.300 . 1 . . . . 30 SER CB . 10187 1 255 . 1 1 30 30 SER HB2 H 1 3.910 0.030 . 1 . . . . 30 SER HB2 . 10187 1 256 . 1 1 30 30 SER HB3 H 1 3.910 0.030 . 1 . . . . 30 SER HB3 . 10187 1 257 . 1 1 30 30 SER C C 13 176.976 0.300 . 1 . . . . 30 SER C . 10187 1 258 . 1 1 31 31 HIS N N 15 121.068 0.300 . 1 . . . . 31 HIS N . 10187 1 259 . 1 1 31 31 HIS H H 1 7.669 0.030 . 1 . . . . 31 HIS H . 10187 1 260 . 1 1 31 31 HIS CA C 13 58.850 0.300 . 1 . . . . 31 HIS CA . 10187 1 261 . 1 1 31 31 HIS HA H 1 4.253 0.030 . 1 . . . . 31 HIS HA . 10187 1 262 . 1 1 31 31 HIS CB C 13 28.477 0.300 . 1 . . . . 31 HIS CB . 10187 1 263 . 1 1 31 31 HIS HB2 H 1 3.163 0.030 . 2 . . . . 31 HIS HB2 . 10187 1 264 . 1 1 31 31 HIS HB3 H 1 2.951 0.030 . 2 . . . . 31 HIS HB3 . 10187 1 265 . 1 1 31 31 HIS CD2 C 13 127.271 0.300 . 1 . . . . 31 HIS CD2 . 10187 1 266 . 1 1 31 31 HIS HD2 H 1 6.948 0.030 . 1 . . . . 31 HIS HD2 . 10187 1 267 . 1 1 31 31 HIS CE1 C 13 139.844 0.300 . 1 . . . . 31 HIS CE1 . 10187 1 268 . 1 1 31 31 HIS HE1 H 1 8.019 0.030 . 1 . . . . 31 HIS HE1 . 10187 1 269 . 1 1 31 31 HIS C C 13 175.956 0.300 . 1 . . . . 31 HIS C . 10187 1 270 . 1 1 32 32 GLN N N 15 115.453 0.300 . 1 . . . . 32 GLN N . 10187 1 271 . 1 1 32 32 GLN H H 1 8.123 0.030 . 1 . . . . 32 GLN H . 10187 1 272 . 1 1 32 32 GLN CA C 13 59.264 0.300 . 1 . . . . 32 GLN CA . 10187 1 273 . 1 1 32 32 GLN HA H 1 3.659 0.030 . 1 . . . . 32 GLN HA . 10187 1 274 . 1 1 32 32 GLN CB C 13 28.152 0.300 . 1 . . . . 32 GLN CB . 10187 1 275 . 1 1 32 32 GLN HB2 H 1 2.266 0.030 . 2 . . . . 32 GLN HB2 . 10187 1 276 . 1 1 32 32 GLN HB3 H 1 2.195 0.030 . 2 . . . . 32 GLN HB3 . 10187 1 277 . 1 1 32 32 GLN CG C 13 35.125 0.300 . 1 . . . . 32 GLN CG . 10187 1 278 . 1 1 32 32 GLN HG2 H 1 2.797 0.030 . 1 . . . . 32 GLN HG2 . 10187 1 279 . 1 1 32 32 GLN HG3 H 1 2.797 0.030 . 1 . . . . 32 GLN HG3 . 10187 1 280 . 1 1 32 32 GLN NE2 N 15 112.669 0.300 . 1 . . . . 32 GLN NE2 . 10187 1 281 . 1 1 32 32 GLN HE21 H 1 7.547 0.030 . 2 . . . . 32 GLN HE21 . 10187 1 282 . 1 1 32 32 GLN HE22 H 1 7.117 0.030 . 2 . . . . 32 GLN HE22 . 10187 1 283 . 1 1 32 32 GLN C C 13 177.332 0.300 . 1 . . . . 32 GLN C . 10187 1 284 . 1 1 33 33 ARG N N 15 117.364 0.300 . 1 . . . . 33 ARG N . 10187 1 285 . 1 1 33 33 ARG H H 1 7.077 0.030 . 1 . . . . 33 ARG H . 10187 1 286 . 1 1 33 33 ARG CA C 13 58.389 0.300 . 1 . . . . 33 ARG CA . 10187 1 287 . 1 1 33 33 ARG HA H 1 4.131 0.030 . 1 . . . . 33 ARG HA . 10187 1 288 . 1 1 33 33 ARG CB C 13 29.966 0.300 . 1 . . . . 33 ARG CB . 10187 1 289 . 1 1 33 33 ARG HB2 H 1 1.800 0.030 . 2 . . . . 33 ARG HB2 . 10187 1 290 . 1 1 33 33 ARG HB3 H 1 1.848 0.030 . 2 . . . . 33 ARG HB3 . 10187 1 291 . 1 1 33 33 ARG CG C 13 27.394 0.300 . 1 . . . . 33 ARG CG . 10187 1 292 . 1 1 33 33 ARG HG2 H 1 1.649 0.030 . 2 . . . . 33 ARG HG2 . 10187 1 293 . 1 1 33 33 ARG HG3 H 1 1.734 0.030 . 2 . . . . 33 ARG HG3 . 10187 1 294 . 1 1 33 33 ARG CD C 13 43.355 0.300 . 1 . . . . 33 ARG CD . 10187 1 295 . 1 1 33 33 ARG HD2 H 1 3.186 0.030 . 1 . . . . 33 ARG HD2 . 10187 1 296 . 1 1 33 33 ARG HD3 H 1 3.186 0.030 . 1 . . . . 33 ARG HD3 . 10187 1 297 . 1 1 33 33 ARG C C 13 178.497 0.300 . 1 . . . . 33 ARG C . 10187 1 298 . 1 1 34 34 VAL N N 15 116.278 0.300 . 1 . . . . 34 VAL N . 10187 1 299 . 1 1 34 34 VAL H H 1 7.886 0.030 . 1 . . . . 34 VAL H . 10187 1 300 . 1 1 34 34 VAL CA C 13 64.069 0.300 . 1 . . . . 34 VAL CA . 10187 1 301 . 1 1 34 34 VAL HA H 1 3.900 0.030 . 1 . . . . 34 VAL HA . 10187 1 302 . 1 1 34 34 VAL CB C 13 31.122 0.300 . 1 . . . . 34 VAL CB . 10187 1 303 . 1 1 34 34 VAL HB H 1 1.887 0.030 . 1 . . . . 34 VAL HB . 10187 1 304 . 1 1 34 34 VAL CG1 C 13 19.651 0.300 . 2 . . . . 34 VAL CG1 . 10187 1 305 . 1 1 34 34 VAL HG11 H 1 0.493 0.030 . 1 . . . . 34 VAL HG1 . 10187 1 306 . 1 1 34 34 VAL HG12 H 1 0.493 0.030 . 1 . . . . 34 VAL HG1 . 10187 1 307 . 1 1 34 34 VAL HG13 H 1 0.493 0.030 . 1 . . . . 34 VAL HG1 . 10187 1 308 . 1 1 34 34 VAL CG2 C 13 19.879 0.300 . 2 . . . . 34 VAL CG2 . 10187 1 309 . 1 1 34 34 VAL HG21 H 1 0.630 0.030 . 1 . . . . 34 VAL HG2 . 10187 1 310 . 1 1 34 34 VAL HG22 H 1 0.630 0.030 . 1 . . . . 34 VAL HG2 . 10187 1 311 . 1 1 34 34 VAL HG23 H 1 0.630 0.030 . 1 . . . . 34 VAL HG2 . 10187 1 312 . 1 1 34 34 VAL C C 13 177.295 0.300 . 1 . . . . 34 VAL C . 10187 1 313 . 1 1 35 35 HIS N N 15 117.224 0.300 . 1 . . . . 35 HIS N . 10187 1 314 . 1 1 35 35 HIS H H 1 7.217 0.030 . 1 . . . . 35 HIS H . 10187 1 315 . 1 1 35 35 HIS CA C 13 55.233 0.300 . 1 . . . . 35 HIS CA . 10187 1 316 . 1 1 35 35 HIS HA H 1 4.864 0.030 . 1 . . . . 35 HIS HA . 10187 1 317 . 1 1 35 35 HIS CB C 13 28.692 0.300 . 1 . . . . 35 HIS CB . 10187 1 318 . 1 1 35 35 HIS HB2 H 1 3.359 0.030 . 2 . . . . 35 HIS HB2 . 10187 1 319 . 1 1 35 35 HIS HB3 H 1 3.196 0.030 . 2 . . . . 35 HIS HB3 . 10187 1 320 . 1 1 35 35 HIS CD2 C 13 127.567 0.300 . 1 . . . . 35 HIS CD2 . 10187 1 321 . 1 1 35 35 HIS HD2 H 1 6.724 0.030 . 1 . . . . 35 HIS HD2 . 10187 1 322 . 1 1 35 35 HIS CE1 C 13 139.965 0.300 . 1 . . . . 35 HIS CE1 . 10187 1 323 . 1 1 35 35 HIS HE1 H 1 8.036 0.030 . 1 . . . . 35 HIS HE1 . 10187 1 324 . 1 1 35 35 HIS C C 13 175.824 0.300 . 1 . . . . 35 HIS C . 10187 1 325 . 1 1 36 36 THR N N 15 111.706 0.300 . 1 . . . . 36 THR N . 10187 1 326 . 1 1 36 36 THR H H 1 7.770 0.030 . 1 . . . . 36 THR H . 10187 1 327 . 1 1 36 36 THR CA C 13 62.523 0.300 . 1 . . . . 36 THR CA . 10187 1 328 . 1 1 36 36 THR HA H 1 4.347 0.030 . 1 . . . . 36 THR HA . 10187 1 329 . 1 1 36 36 THR CB C 13 69.863 0.300 . 1 . . . . 36 THR CB . 10187 1 330 . 1 1 36 36 THR HB H 1 4.308 0.030 . 1 . . . . 36 THR HB . 10187 1 331 . 1 1 36 36 THR CG2 C 13 21.583 0.300 . 1 . . . . 36 THR CG2 . 10187 1 332 . 1 1 36 36 THR HG21 H 1 1.225 0.030 . 1 . . . . 36 THR HG2 . 10187 1 333 . 1 1 36 36 THR HG22 H 1 1.225 0.030 . 1 . . . . 36 THR HG2 . 10187 1 334 . 1 1 36 36 THR HG23 H 1 1.225 0.030 . 1 . . . . 36 THR HG2 . 10187 1 335 . 1 1 36 36 THR C C 13 175.637 0.300 . 1 . . . . 36 THR C . 10187 1 336 . 1 1 37 37 GLY N N 15 110.627 0.300 . 1 . . . . 37 GLY N . 10187 1 337 . 1 1 37 37 GLY H H 1 8.221 0.030 . 1 . . . . 37 GLY H . 10187 1 338 . 1 1 37 37 GLY CA C 13 45.344 0.300 . 1 . . . . 37 GLY CA . 10187 1 339 . 1 1 37 37 GLY HA2 H 1 4.018 0.030 . 2 . . . . 37 GLY HA2 . 10187 1 340 . 1 1 37 37 GLY HA3 H 1 3.943 0.030 . 2 . . . . 37 GLY HA3 . 10187 1 341 . 1 1 37 37 GLY C C 13 174.070 0.300 . 1 . . . . 37 GLY C . 10187 1 342 . 1 1 38 38 GLU N N 15 120.538 0.300 . 1 . . . . 38 GLU N . 10187 1 343 . 1 1 38 38 GLU H H 1 8.081 0.030 . 1 . . . . 38 GLU H . 10187 1 344 . 1 1 38 38 GLU CA C 13 56.425 0.300 . 1 . . . . 38 GLU CA . 10187 1 345 . 1 1 38 38 GLU HA H 1 4.240 0.030 . 1 . . . . 38 GLU HA . 10187 1 346 . 1 1 38 38 GLU CB C 13 30.510 0.300 . 1 . . . . 38 GLU CB . 10187 1 347 . 1 1 38 38 GLU HB2 H 1 1.897 0.030 . 2 . . . . 38 GLU HB2 . 10187 1 348 . 1 1 38 38 GLU HB3 H 1 1.991 0.030 . 2 . . . . 38 GLU HB3 . 10187 1 349 . 1 1 38 38 GLU CG C 13 36.241 0.300 . 1 . . . . 38 GLU CG . 10187 1 350 . 1 1 38 38 GLU HG2 H 1 2.219 0.030 . 1 . . . . 38 GLU HG2 . 10187 1 351 . 1 1 38 38 GLU HG3 H 1 2.219 0.030 . 1 . . . . 38 GLU HG3 . 10187 1 352 . 1 1 38 38 GLU C C 13 176.244 0.300 . 1 . . . . 38 GLU C . 10187 1 353 . 1 1 39 39 LYS N N 15 123.780 0.300 . 1 . . . . 39 LYS N . 10187 1 354 . 1 1 39 39 LYS H H 1 8.381 0.030 . 1 . . . . 39 LYS H . 10187 1 355 . 1 1 39 39 LYS CA C 13 54.135 0.300 . 1 . . . . 39 LYS CA . 10187 1 356 . 1 1 39 39 LYS HA H 1 4.593 0.030 . 1 . . . . 39 LYS HA . 10187 1 357 . 1 1 39 39 LYS CB C 13 32.496 0.300 . 1 . . . . 39 LYS CB . 10187 1 358 . 1 1 39 39 LYS HB2 H 1 1.719 0.030 . 2 . . . . 39 LYS HB2 . 10187 1 359 . 1 1 39 39 LYS HB3 H 1 1.810 0.030 . 2 . . . . 39 LYS HB3 . 10187 1 360 . 1 1 39 39 LYS CG C 13 24.471 0.300 . 1 . . . . 39 LYS CG . 10187 1 361 . 1 1 39 39 LYS HG2 H 1 1.464 0.030 . 1 . . . . 39 LYS HG2 . 10187 1 362 . 1 1 39 39 LYS HG3 H 1 1.464 0.030 . 1 . . . . 39 LYS HG3 . 10187 1 363 . 1 1 39 39 LYS CD C 13 29.143 0.300 . 1 . . . . 39 LYS CD . 10187 1 364 . 1 1 39 39 LYS HD2 H 1 1.674 0.030 . 1 . . . . 39 LYS HD2 . 10187 1 365 . 1 1 39 39 LYS HD3 H 1 1.674 0.030 . 1 . . . . 39 LYS HD3 . 10187 1 366 . 1 1 39 39 LYS CE C 13 42.186 0.300 . 1 . . . . 39 LYS CE . 10187 1 367 . 1 1 39 39 LYS HE2 H 1 2.988 0.030 . 1 . . . . 39 LYS HE2 . 10187 1 368 . 1 1 39 39 LYS HE3 H 1 2.988 0.030 . 1 . . . . 39 LYS HE3 . 10187 1 369 . 1 1 39 39 LYS C C 13 174.521 0.300 . 1 . . . . 39 LYS C . 10187 1 370 . 1 1 40 40 PRO CA C 13 63.225 0.300 . 1 . . . . 40 PRO CA . 10187 1 371 . 1 1 40 40 PRO HA H 1 4.452 0.030 . 1 . . . . 40 PRO HA . 10187 1 372 . 1 1 40 40 PRO CB C 13 32.181 0.300 . 1 . . . . 40 PRO CB . 10187 1 373 . 1 1 40 40 PRO HB2 H 1 2.297 0.030 . 2 . . . . 40 PRO HB2 . 10187 1 374 . 1 1 40 40 PRO HB3 H 1 1.932 0.030 . 2 . . . . 40 PRO HB3 . 10187 1 375 . 1 1 40 40 PRO CG C 13 27.402 0.300 . 1 . . . . 40 PRO CG . 10187 1 376 . 1 1 40 40 PRO HG2 H 1 2.009 0.030 . 1 . . . . 40 PRO HG2 . 10187 1 377 . 1 1 40 40 PRO HG3 H 1 2.009 0.030 . 1 . . . . 40 PRO HG3 . 10187 1 378 . 1 1 40 40 PRO CD C 13 50.700 0.300 . 1 . . . . 40 PRO CD . 10187 1 379 . 1 1 40 40 PRO HD2 H 1 3.634 0.030 . 2 . . . . 40 PRO HD2 . 10187 1 380 . 1 1 40 40 PRO HD3 H 1 3.804 0.030 . 2 . . . . 40 PRO HD3 . 10187 1 381 . 1 1 40 40 PRO C C 13 176.999 0.300 . 1 . . . . 40 PRO C . 10187 1 382 . 1 1 41 41 SER N N 15 116.501 0.300 . 1 . . . . 41 SER N . 10187 1 383 . 1 1 41 41 SER H H 1 8.466 0.030 . 1 . . . . 41 SER H . 10187 1 384 . 1 1 41 41 SER CA C 13 58.367 0.300 . 1 . . . . 41 SER CA . 10187 1 385 . 1 1 41 41 SER HA H 1 4.512 0.030 . 1 . . . . 41 SER HA . 10187 1 386 . 1 1 41 41 SER CB C 13 63.986 0.300 . 1 . . . . 41 SER CB . 10187 1 387 . 1 1 41 41 SER HB2 H 1 3.880 0.030 . 2 . . . . 41 SER HB2 . 10187 1 388 . 1 1 41 41 SER C C 13 174.682 0.300 . 1 . . . . 41 SER C . 10187 1 389 . 1 1 42 42 GLY CA C 13 44.661 0.300 . 1 . . . . 42 GLY CA . 10187 1 390 . 1 1 42 42 GLY HA2 H 1 4.099 0.030 . 2 . . . . 42 GLY HA2 . 10187 1 391 . 1 1 42 42 GLY HA3 H 1 4.147 0.030 . 2 . . . . 42 GLY HA3 . 10187 1 392 . 1 1 43 43 PRO CA C 13 63.240 0.300 . 1 . . . . 43 PRO CA . 10187 1 393 . 1 1 43 43 PRO HA H 1 4.463 0.030 . 1 . . . . 43 PRO HA . 10187 1 394 . 1 1 43 43 PRO CB C 13 32.179 0.300 . 1 . . . . 43 PRO CB . 10187 1 395 . 1 1 43 43 PRO HB2 H 1 2.002 0.030 . 2 . . . . 43 PRO HB2 . 10187 1 396 . 1 1 43 43 PRO HB3 H 1 2.287 0.030 . 2 . . . . 43 PRO HB3 . 10187 1 397 . 1 1 43 43 PRO CG C 13 27.151 0.300 . 1 . . . . 43 PRO CG . 10187 1 398 . 1 1 43 43 PRO HG2 H 1 2.006 0.030 . 1 . . . . 43 PRO HG2 . 10187 1 399 . 1 1 43 43 PRO HG3 H 1 2.006 0.030 . 1 . . . . 43 PRO HG3 . 10187 1 400 . 1 1 43 43 PRO CD C 13 49.803 0.300 . 1 . . . . 43 PRO CD . 10187 1 401 . 1 1 43 43 PRO HD2 H 1 3.619 0.030 . 1 . . . . 43 PRO HD2 . 10187 1 402 . 1 1 43 43 PRO HD3 H 1 3.619 0.030 . 1 . . . . 43 PRO HD3 . 10187 1 403 . 1 1 45 45 SER CA C 13 58.420 0.300 . 1 . . . . 45 SER CA . 10187 1 404 . 1 1 45 45 SER HA H 1 4.496 0.030 . 1 . . . . 45 SER HA . 10187 1 405 . 1 1 45 45 SER CB C 13 63.789 0.300 . 1 . . . . 45 SER CB . 10187 1 406 . 1 1 45 45 SER HB2 H 1 3.894 0.030 . 2 . . . . 45 SER HB2 . 10187 1 407 . 1 1 45 45 SER C C 13 173.912 0.300 . 1 . . . . 45 SER C . 10187 1 408 . 1 1 46 46 GLY N N 15 116.852 0.300 . 1 . . . . 46 GLY N . 10187 1 409 . 1 1 46 46 GLY H H 1 8.037 0.030 . 1 . . . . 46 GLY H . 10187 1 410 . 1 1 46 46 GLY CA C 13 46.206 0.300 . 1 . . . . 46 GLY CA . 10187 1 411 . 1 1 46 46 GLY HA2 H 1 3.789 0.030 . 2 . . . . 46 GLY HA2 . 10187 1 412 . 1 1 46 46 GLY HA3 H 1 3.743 0.030 . 2 . . . . 46 GLY HA3 . 10187 1 413 . 1 1 46 46 GLY C C 13 179.000 0.300 . 1 . . . . 46 GLY C . 10187 1 stop_ save_