################################### # 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 11239 _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 11239 1 2 '3D 15N-separated NOESY' 1 $sample_1 isotropic 11239 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $Delta . . 11239 1 2 $NMRPipe . . 11239 1 3 $NMRVIEW . . 11239 1 4 $Kujira . . 11239 1 5 $CYANA . . 11239 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 3.949 0.030 . 1 . . . . 7 GLY HA2 . 11239 1 2 . 1 1 7 7 GLY HA3 H 1 3.949 0.030 . 1 . . . . 7 GLY HA3 . 11239 1 3 . 1 1 7 7 GLY C C 13 171.937 0.300 . 1 . . . . 7 GLY C . 11239 1 4 . 1 1 7 7 GLY CA C 13 42.777 0.300 . 1 . . . . 7 GLY CA . 11239 1 5 . 1 1 8 8 THR H H 1 8.041 0.030 . 1 . . . . 8 THR H . 11239 1 6 . 1 1 8 8 THR HA H 1 4.264 0.030 . 1 . . . . 8 THR HA . 11239 1 7 . 1 1 8 8 THR HB H 1 4.195 0.030 . 1 . . . . 8 THR HB . 11239 1 8 . 1 1 8 8 THR HG21 H 1 1.096 0.030 . 1 . . . . 8 THR HG2 . 11239 1 9 . 1 1 8 8 THR HG22 H 1 1.096 0.030 . 1 . . . . 8 THR HG2 . 11239 1 10 . 1 1 8 8 THR HG23 H 1 1.096 0.030 . 1 . . . . 8 THR HG2 . 11239 1 11 . 1 1 8 8 THR C C 13 172.655 0.300 . 1 . . . . 8 THR C . 11239 1 12 . 1 1 8 8 THR CA C 13 59.220 0.300 . 1 . . . . 8 THR CA . 11239 1 13 . 1 1 8 8 THR CB C 13 67.157 0.300 . 1 . . . . 8 THR CB . 11239 1 14 . 1 1 8 8 THR CG2 C 13 18.877 0.300 . 1 . . . . 8 THR CG2 . 11239 1 15 . 1 1 8 8 THR N N 15 112.799 0.300 . 1 . . . . 8 THR N . 11239 1 16 . 1 1 9 9 GLY H H 1 8.333 0.030 . 1 . . . . 9 GLY H . 11239 1 17 . 1 1 9 9 GLY HA2 H 1 3.870 0.030 . 2 . . . . 9 GLY HA2 . 11239 1 18 . 1 1 9 9 GLY HA3 H 1 3.937 0.030 . 2 . . . . 9 GLY HA3 . 11239 1 19 . 1 1 9 9 GLY C C 13 171.468 0.300 . 1 . . . . 9 GLY C . 11239 1 20 . 1 1 9 9 GLY CA C 13 42.749 0.300 . 1 . . . . 9 GLY CA . 11239 1 21 . 1 1 9 9 GLY N N 15 110.821 0.300 . 1 . . . . 9 GLY N . 11239 1 22 . 1 1 10 10 GLU H H 1 8.098 0.030 . 1 . . . . 10 GLU H . 11239 1 23 . 1 1 10 10 GLU HA H 1 4.086 0.030 . 1 . . . . 10 GLU HA . 11239 1 24 . 1 1 10 10 GLU HB2 H 1 1.881 0.030 . 2 . . . . 10 GLU HB2 . 11239 1 25 . 1 1 10 10 GLU HB3 H 1 1.806 0.030 . 2 . . . . 10 GLU HB3 . 11239 1 26 . 1 1 10 10 GLU HG2 H 1 2.102 0.030 . 2 . . . . 10 GLU HG2 . 11239 1 27 . 1 1 10 10 GLU HG3 H 1 2.144 0.030 . 2 . . . . 10 GLU HG3 . 11239 1 28 . 1 1 10 10 GLU C C 13 173.618 0.300 . 1 . . . . 10 GLU C . 11239 1 29 . 1 1 10 10 GLU CA C 13 54.250 0.300 . 1 . . . . 10 GLU CA . 11239 1 30 . 1 1 10 10 GLU CB C 13 27.784 0.300 . 1 . . . . 10 GLU CB . 11239 1 31 . 1 1 10 10 GLU CG C 13 33.600 0.300 . 1 . . . . 10 GLU CG . 11239 1 32 . 1 1 10 10 GLU N N 15 120.150 0.300 . 1 . . . . 10 GLU N . 11239 1 33 . 1 1 11 11 LYS H H 1 8.207 0.030 . 1 . . . . 11 LYS H . 11239 1 34 . 1 1 11 11 LYS HA H 1 4.401 0.030 . 1 . . . . 11 LYS HA . 11239 1 35 . 1 1 11 11 LYS HB2 H 1 1.242 0.030 . 2 . . . . 11 LYS HB2 . 11239 1 36 . 1 1 11 11 LYS HB3 H 1 1.471 0.030 . 2 . . . . 11 LYS HB3 . 11239 1 37 . 1 1 11 11 LYS HD2 H 1 1.405 0.030 . 2 . . . . 11 LYS HD2 . 11239 1 38 . 1 1 11 11 LYS HD3 H 1 1.361 0.030 . 2 . . . . 11 LYS HD3 . 11239 1 39 . 1 1 11 11 LYS HE2 H 1 2.828 0.030 . 1 . . . . 11 LYS HE2 . 11239 1 40 . 1 1 11 11 LYS HE3 H 1 2.828 0.030 . 1 . . . . 11 LYS HE3 . 11239 1 41 . 1 1 11 11 LYS HG2 H 1 1.031 0.030 . 2 . . . . 11 LYS HG2 . 11239 1 42 . 1 1 11 11 LYS HG3 H 1 1.242 0.030 . 2 . . . . 11 LYS HG3 . 11239 1 43 . 1 1 11 11 LYS C C 13 171.901 0.300 . 1 . . . . 11 LYS C . 11239 1 44 . 1 1 11 11 LYS CA C 13 51.161 0.300 . 1 . . . . 11 LYS CA . 11239 1 45 . 1 1 11 11 LYS CB C 13 30.660 0.300 . 1 . . . . 11 LYS CB . 11239 1 46 . 1 1 11 11 LYS CD C 13 26.938 0.300 . 1 . . . . 11 LYS CD . 11239 1 47 . 1 1 11 11 LYS CE C 13 39.668 0.300 . 1 . . . . 11 LYS CE . 11239 1 48 . 1 1 11 11 LYS CG C 13 22.457 0.300 . 1 . . . . 11 LYS CG . 11239 1 49 . 1 1 11 11 LYS N N 15 121.212 0.300 . 1 . . . . 11 LYS N . 11239 1 50 . 1 1 12 12 PRO HA H 1 4.160 0.030 . 1 . . . . 12 PRO HA . 11239 1 51 . 1 1 12 12 PRO HB2 H 1 1.058 0.030 . 2 . . . . 12 PRO HB2 . 11239 1 52 . 1 1 12 12 PRO HB3 H 1 1.906 0.030 . 2 . . . . 12 PRO HB3 . 11239 1 53 . 1 1 12 12 PRO HD2 H 1 3.519 0.030 . 2 . . . . 12 PRO HD2 . 11239 1 54 . 1 1 12 12 PRO HD3 H 1 3.549 0.030 . 2 . . . . 12 PRO HD3 . 11239 1 55 . 1 1 12 12 PRO HG2 H 1 1.371 0.030 . 2 . . . . 12 PRO HG2 . 11239 1 56 . 1 1 12 12 PRO HG3 H 1 1.677 0.030 . 2 . . . . 12 PRO HG3 . 11239 1 57 . 1 1 12 12 PRO C C 13 173.981 0.300 . 1 . . . . 12 PRO C . 11239 1 58 . 1 1 12 12 PRO CA C 13 60.963 0.300 . 1 . . . . 12 PRO CA . 11239 1 59 . 1 1 12 12 PRO CB C 13 29.698 0.300 . 1 . . . . 12 PRO CB . 11239 1 60 . 1 1 12 12 PRO CD C 13 47.644 0.300 . 1 . . . . 12 PRO CD . 11239 1 61 . 1 1 12 12 PRO CG C 13 23.825 0.300 . 1 . . . . 12 PRO CG . 11239 1 62 . 1 1 13 13 TYR H H 1 7.671 0.030 . 1 . . . . 13 TYR H . 11239 1 63 . 1 1 13 13 TYR HA H 1 4.570 0.030 . 1 . . . . 13 TYR HA . 11239 1 64 . 1 1 13 13 TYR HB2 H 1 2.762 0.030 . 2 . . . . 13 TYR HB2 . 11239 1 65 . 1 1 13 13 TYR HB3 H 1 2.885 0.030 . 2 . . . . 13 TYR HB3 . 11239 1 66 . 1 1 13 13 TYR HD1 H 1 6.915 0.030 . 1 . . . . 13 TYR HD1 . 11239 1 67 . 1 1 13 13 TYR HD2 H 1 6.915 0.030 . 1 . . . . 13 TYR HD2 . 11239 1 68 . 1 1 13 13 TYR HE1 H 1 6.814 0.030 . 1 . . . . 13 TYR HE1 . 11239 1 69 . 1 1 13 13 TYR HE2 H 1 6.814 0.030 . 1 . . . . 13 TYR HE2 . 11239 1 70 . 1 1 13 13 TYR C C 13 171.875 0.300 . 1 . . . . 13 TYR C . 11239 1 71 . 1 1 13 13 TYR CA C 13 54.822 0.300 . 1 . . . . 13 TYR CA . 11239 1 72 . 1 1 13 13 TYR CB C 13 35.443 0.300 . 1 . . . . 13 TYR CB . 11239 1 73 . 1 1 13 13 TYR CD1 C 13 130.555 0.300 . 1 . . . . 13 TYR CD1 . 11239 1 74 . 1 1 13 13 TYR CD2 C 13 130.555 0.300 . 1 . . . . 13 TYR CD2 . 11239 1 75 . 1 1 13 13 TYR CE1 C 13 115.846 0.300 . 1 . . . . 13 TYR CE1 . 11239 1 76 . 1 1 13 13 TYR CE2 C 13 115.846 0.300 . 1 . . . . 13 TYR CE2 . 11239 1 77 . 1 1 13 13 TYR N N 15 118.237 0.300 . 1 . . . . 13 TYR N . 11239 1 78 . 1 1 14 14 ARG H H 1 8.521 0.030 . 1 . . . . 14 ARG H . 11239 1 79 . 1 1 14 14 ARG HA H 1 4.911 0.030 . 1 . . . . 14 ARG HA . 11239 1 80 . 1 1 14 14 ARG HB2 H 1 1.527 0.030 . 1 . . . . 14 ARG HB2 . 11239 1 81 . 1 1 14 14 ARG HB3 H 1 1.527 0.030 . 1 . . . . 14 ARG HB3 . 11239 1 82 . 1 1 14 14 ARG HD2 H 1 3.027 0.030 . 1 . . . . 14 ARG HD2 . 11239 1 83 . 1 1 14 14 ARG HD3 H 1 3.027 0.030 . 1 . . . . 14 ARG HD3 . 11239 1 84 . 1 1 14 14 ARG HG2 H 1 1.239 0.030 . 2 . . . . 14 ARG HG2 . 11239 1 85 . 1 1 14 14 ARG HG3 H 1 1.272 0.030 . 2 . . . . 14 ARG HG3 . 11239 1 86 . 1 1 14 14 ARG C C 13 172.519 0.300 . 1 . . . . 14 ARG C . 11239 1 87 . 1 1 14 14 ARG CA C 13 52.212 0.300 . 1 . . . . 14 ARG CA . 11239 1 88 . 1 1 14 14 ARG CB C 13 30.383 0.300 . 1 . . . . 14 ARG CB . 11239 1 89 . 1 1 14 14 ARG CD C 13 40.723 0.300 . 1 . . . . 14 ARG CD . 11239 1 90 . 1 1 14 14 ARG CG C 13 24.962 0.300 . 1 . . . . 14 ARG CG . 11239 1 91 . 1 1 14 14 ARG N N 15 124.740 0.300 . 1 . . . . 14 ARG N . 11239 1 92 . 1 1 15 15 CYS H H 1 9.200 0.030 . 1 . . . . 15 CYS H . 11239 1 93 . 1 1 15 15 CYS HA H 1 4.350 0.030 . 1 . . . . 15 CYS HA . 11239 1 94 . 1 1 15 15 CYS HB2 H 1 2.790 0.030 . 2 . . . . 15 CYS HB2 . 11239 1 95 . 1 1 15 15 CYS HB3 H 1 3.332 0.030 . 2 . . . . 15 CYS HB3 . 11239 1 96 . 1 1 15 15 CYS C C 13 174.885 0.300 . 1 . . . . 15 CYS C . 11239 1 97 . 1 1 15 15 CYS CA C 13 57.148 0.300 . 1 . . . . 15 CYS CA . 11239 1 98 . 1 1 15 15 CYS CB C 13 26.990 0.300 . 1 . . . . 15 CYS CB . 11239 1 99 . 1 1 15 15 CYS N N 15 127.509 0.300 . 1 . . . . 15 CYS N . 11239 1 100 . 1 1 16 16 GLY H H 1 9.310 0.030 . 1 . . . . 16 GLY H . 11239 1 101 . 1 1 16 16 GLY HA2 H 1 3.866 0.030 . 2 . . . . 16 GLY HA2 . 11239 1 102 . 1 1 16 16 GLY HA3 H 1 3.903 0.030 . 2 . . . . 16 GLY HA3 . 11239 1 103 . 1 1 16 16 GLY C C 13 171.567 0.300 . 1 . . . . 16 GLY C . 11239 1 104 . 1 1 16 16 GLY CA C 13 44.067 0.300 . 1 . . . . 16 GLY CA . 11239 1 105 . 1 1 16 16 GLY N N 15 120.502 0.300 . 1 . . . . 16 GLY N . 11239 1 106 . 1 1 17 17 GLU H H 1 8.536 0.030 . 1 . . . . 17 GLU H . 11239 1 107 . 1 1 17 17 GLU HA H 1 4.185 0.030 . 1 . . . . 17 GLU HA . 11239 1 108 . 1 1 17 17 GLU HB2 H 1 1.245 0.030 . 1 . . . . 17 GLU HB2 . 11239 1 109 . 1 1 17 17 GLU HB3 H 1 1.245 0.030 . 1 . . . . 17 GLU HB3 . 11239 1 110 . 1 1 17 17 GLU HG2 H 1 1.788 0.030 . 2 . . . . 17 GLU HG2 . 11239 1 111 . 1 1 17 17 GLU HG3 H 1 1.687 0.030 . 2 . . . . 17 GLU HG3 . 11239 1 112 . 1 1 17 17 GLU C C 13 174.557 0.300 . 1 . . . . 17 GLU C . 11239 1 113 . 1 1 17 17 GLU CA C 13 55.353 0.300 . 1 . . . . 17 GLU CA . 11239 1 114 . 1 1 17 17 GLU CB C 13 27.045 0.300 . 1 . . . . 17 GLU CB . 11239 1 115 . 1 1 17 17 GLU CG C 13 33.091 0.300 . 1 . . . . 17 GLU CG . 11239 1 116 . 1 1 17 17 GLU N N 15 121.265 0.300 . 1 . . . . 17 GLU N . 11239 1 117 . 1 1 18 18 CYS H H 1 7.807 0.030 . 1 . . . . 18 CYS H . 11239 1 118 . 1 1 18 18 CYS HA H 1 5.080 0.030 . 1 . . . . 18 CYS HA . 11239 1 119 . 1 1 18 18 CYS HB2 H 1 2.765 0.030 . 2 . . . . 18 CYS HB2 . 11239 1 120 . 1 1 18 18 CYS HB3 H 1 3.354 0.030 . 2 . . . . 18 CYS HB3 . 11239 1 121 . 1 1 18 18 CYS C C 13 173.695 0.300 . 1 . . . . 18 CYS C . 11239 1 122 . 1 1 18 18 CYS CA C 13 55.666 0.300 . 1 . . . . 18 CYS CA . 11239 1 123 . 1 1 18 18 CYS CB C 13 29.893 0.300 . 1 . . . . 18 CYS CB . 11239 1 124 . 1 1 18 18 CYS N N 15 114.535 0.300 . 1 . . . . 18 CYS N . 11239 1 125 . 1 1 19 19 GLY H H 1 8.041 0.030 . 1 . . . . 19 GLY H . 11239 1 126 . 1 1 19 19 GLY HA2 H 1 3.694 0.030 . 2 . . . . 19 GLY HA2 . 11239 1 127 . 1 1 19 19 GLY HA3 H 1 4.165 0.030 . 2 . . . . 19 GLY HA3 . 11239 1 128 . 1 1 19 19 GLY C C 13 171.136 0.300 . 1 . . . . 19 GLY C . 11239 1 129 . 1 1 19 19 GLY CA C 13 43.518 0.300 . 1 . . . . 19 GLY CA . 11239 1 130 . 1 1 19 19 GLY N N 15 113.308 0.300 . 1 . . . . 19 GLY N . 11239 1 131 . 1 1 20 20 LYS H H 1 7.907 0.030 . 1 . . . . 20 LYS H . 11239 1 132 . 1 1 20 20 LYS HA H 1 3.835 0.030 . 1 . . . . 20 LYS HA . 11239 1 133 . 1 1 20 20 LYS HB2 H 1 1.090 0.030 . 2 . . . . 20 LYS HB2 . 11239 1 134 . 1 1 20 20 LYS HB3 H 1 1.351 0.030 . 2 . . . . 20 LYS HB3 . 11239 1 135 . 1 1 20 20 LYS HD2 H 1 1.325 0.030 . 2 . . . . 20 LYS HD2 . 11239 1 136 . 1 1 20 20 LYS HD3 H 1 1.407 0.030 . 2 . . . . 20 LYS HD3 . 11239 1 137 . 1 1 20 20 LYS HE2 H 1 2.795 0.030 . 2 . . . . 20 LYS HE2 . 11239 1 138 . 1 1 20 20 LYS HE3 H 1 2.869 0.030 . 2 . . . . 20 LYS HE3 . 11239 1 139 . 1 1 20 20 LYS HG2 H 1 1.264 0.030 . 2 . . . . 20 LYS HG2 . 11239 1 140 . 1 1 20 20 LYS HG3 H 1 0.938 0.030 . 2 . . . . 20 LYS HG3 . 11239 1 141 . 1 1 20 20 LYS C C 13 171.222 0.300 . 1 . . . . 20 LYS C . 11239 1 142 . 1 1 20 20 LYS CA C 13 55.743 0.300 . 1 . . . . 20 LYS CA . 11239 1 143 . 1 1 20 20 LYS CB C 13 30.892 0.300 . 1 . . . . 20 LYS CB . 11239 1 144 . 1 1 20 20 LYS CD C 13 26.627 0.300 . 1 . . . . 20 LYS CD . 11239 1 145 . 1 1 20 20 LYS CE C 13 39.548 0.300 . 1 . . . . 20 LYS CE . 11239 1 146 . 1 1 20 20 LYS CG C 13 23.504 0.300 . 1 . . . . 20 LYS CG . 11239 1 147 . 1 1 20 20 LYS N N 15 123.428 0.300 . 1 . . . . 20 LYS N . 11239 1 148 . 1 1 21 21 ALA H H 1 7.742 0.030 . 1 . . . . 21 ALA H . 11239 1 149 . 1 1 21 21 ALA HA H 1 5.042 0.030 . 1 . . . . 21 ALA HA . 11239 1 150 . 1 1 21 21 ALA HB1 H 1 1.112 0.030 . 1 . . . . 21 ALA HB . 11239 1 151 . 1 1 21 21 ALA HB2 H 1 1.112 0.030 . 1 . . . . 21 ALA HB . 11239 1 152 . 1 1 21 21 ALA HB3 H 1 1.112 0.030 . 1 . . . . 21 ALA HB . 11239 1 153 . 1 1 21 21 ALA C C 13 173.452 0.300 . 1 . . . . 21 ALA C . 11239 1 154 . 1 1 21 21 ALA CA C 13 47.781 0.300 . 1 . . . . 21 ALA CA . 11239 1 155 . 1 1 21 21 ALA CB C 13 19.532 0.300 . 1 . . . . 21 ALA CB . 11239 1 156 . 1 1 21 21 ALA N N 15 124.609 0.300 . 1 . . . . 21 ALA N . 11239 1 157 . 1 1 22 22 PHE H H 1 8.650 0.030 . 1 . . . . 22 PHE H . 11239 1 158 . 1 1 22 22 PHE HA H 1 4.571 0.030 . 1 . . . . 22 PHE HA . 11239 1 159 . 1 1 22 22 PHE HB2 H 1 2.580 0.030 . 2 . . . . 22 PHE HB2 . 11239 1 160 . 1 1 22 22 PHE HB3 H 1 3.334 0.030 . 2 . . . . 22 PHE HB3 . 11239 1 161 . 1 1 22 22 PHE HD1 H 1 7.186 0.030 . 1 . . . . 22 PHE HD1 . 11239 1 162 . 1 1 22 22 PHE HD2 H 1 7.186 0.030 . 1 . . . . 22 PHE HD2 . 11239 1 163 . 1 1 22 22 PHE HE1 H 1 6.771 0.030 . 1 . . . . 22 PHE HE1 . 11239 1 164 . 1 1 22 22 PHE HE2 H 1 6.771 0.030 . 1 . . . . 22 PHE HE2 . 11239 1 165 . 1 1 22 22 PHE HZ H 1 6.281 0.030 . 1 . . . . 22 PHE HZ . 11239 1 166 . 1 1 22 22 PHE C C 13 172.108 0.300 . 1 . . . . 22 PHE C . 11239 1 167 . 1 1 22 22 PHE CA C 13 54.750 0.300 . 1 . . . . 22 PHE CA . 11239 1 168 . 1 1 22 22 PHE CB C 13 40.947 0.300 . 1 . . . . 22 PHE CB . 11239 1 169 . 1 1 22 22 PHE CD1 C 13 129.746 0.300 . 1 . . . . 22 PHE CD1 . 11239 1 170 . 1 1 22 22 PHE CD2 C 13 129.746 0.300 . 1 . . . . 22 PHE CD2 . 11239 1 171 . 1 1 22 22 PHE CE1 C 13 128.082 0.300 . 1 . . . . 22 PHE CE1 . 11239 1 172 . 1 1 22 22 PHE CE2 C 13 128.082 0.300 . 1 . . . . 22 PHE CE2 . 11239 1 173 . 1 1 22 22 PHE CZ C 13 126.241 0.300 . 1 . . . . 22 PHE CZ . 11239 1 174 . 1 1 22 22 PHE N N 15 116.671 0.300 . 1 . . . . 22 PHE N . 11239 1 175 . 1 1 23 23 ALA H H 1 9.001 0.030 . 1 . . . . 23 ALA H . 11239 1 176 . 1 1 23 23 ALA HA H 1 4.537 0.030 . 1 . . . . 23 ALA HA . 11239 1 177 . 1 1 23 23 ALA HB1 H 1 1.583 0.030 . 1 . . . . 23 ALA HB . 11239 1 178 . 1 1 23 23 ALA HB2 H 1 1.583 0.030 . 1 . . . . 23 ALA HB . 11239 1 179 . 1 1 23 23 ALA HB3 H 1 1.583 0.030 . 1 . . . . 23 ALA HB . 11239 1 180 . 1 1 23 23 ALA C C 13 174.748 0.300 . 1 . . . . 23 ALA C . 11239 1 181 . 1 1 23 23 ALA CA C 13 51.424 0.300 . 1 . . . . 23 ALA CA . 11239 1 182 . 1 1 23 23 ALA CB C 13 17.497 0.300 . 1 . . . . 23 ALA CB . 11239 1 183 . 1 1 23 23 ALA N N 15 123.666 0.300 . 1 . . . . 23 ALA N . 11239 1 184 . 1 1 24 24 GLN H H 1 7.627 0.030 . 1 . . . . 24 GLN H . 11239 1 185 . 1 1 24 24 GLN HA H 1 4.745 0.030 . 1 . . . . 24 GLN HA . 11239 1 186 . 1 1 24 24 GLN HB2 H 1 2.115 0.030 . 2 . . . . 24 GLN HB2 . 11239 1 187 . 1 1 24 24 GLN HB3 H 1 1.926 0.030 . 2 . . . . 24 GLN HB3 . 11239 1 188 . 1 1 24 24 GLN HE21 H 1 7.474 0.030 . 2 . . . . 24 GLN HE21 . 11239 1 189 . 1 1 24 24 GLN HE22 H 1 6.815 0.030 . 2 . . . . 24 GLN HE22 . 11239 1 190 . 1 1 24 24 GLN HG2 H 1 2.348 0.030 . 1 . . . . 24 GLN HG2 . 11239 1 191 . 1 1 24 24 GLN HG3 H 1 2.348 0.030 . 1 . . . . 24 GLN HG3 . 11239 1 192 . 1 1 24 24 GLN C C 13 173.572 0.300 . 1 . . . . 24 GLN C . 11239 1 193 . 1 1 24 24 GLN CA C 13 51.123 0.300 . 1 . . . . 24 GLN CA . 11239 1 194 . 1 1 24 24 GLN CB C 13 28.354 0.300 . 1 . . . . 24 GLN CB . 11239 1 195 . 1 1 24 24 GLN CG C 13 30.797 0.300 . 1 . . . . 24 GLN CG . 11239 1 196 . 1 1 24 24 GLN N N 15 112.630 0.300 . 1 . . . . 24 GLN N . 11239 1 197 . 1 1 24 24 GLN NE2 N 15 112.040 0.300 . 1 . . . . 24 GLN NE2 . 11239 1 198 . 1 1 25 25 LYS H H 1 8.399 0.030 . 1 . . . . 25 LYS H . 11239 1 199 . 1 1 25 25 LYS HA H 1 2.873 0.030 . 1 . . . . 25 LYS HA . 11239 1 200 . 1 1 25 25 LYS HB2 H 1 1.339 0.030 . 2 . . . . 25 LYS HB2 . 11239 1 201 . 1 1 25 25 LYS HB3 H 1 0.854 0.030 . 2 . . . . 25 LYS HB3 . 11239 1 202 . 1 1 25 25 LYS HD2 H 1 1.457 0.030 . 2 . . . . 25 LYS HD2 . 11239 1 203 . 1 1 25 25 LYS HD3 H 1 1.389 0.030 . 2 . . . . 25 LYS HD3 . 11239 1 204 . 1 1 25 25 LYS HE2 H 1 2.777 0.030 . 1 . . . . 25 LYS HE2 . 11239 1 205 . 1 1 25 25 LYS HE3 H 1 2.777 0.030 . 1 . . . . 25 LYS HE3 . 11239 1 206 . 1 1 25 25 LYS HG2 H 1 1.031 0.030 . 2 . . . . 25 LYS HG2 . 11239 1 207 . 1 1 25 25 LYS HG3 H 1 0.859 0.030 . 2 . . . . 25 LYS HG3 . 11239 1 208 . 1 1 25 25 LYS C C 13 175.576 0.300 . 1 . . . . 25 LYS C . 11239 1 209 . 1 1 25 25 LYS CA C 13 56.992 0.300 . 1 . . . . 25 LYS CA . 11239 1 210 . 1 1 25 25 LYS CB C 13 28.883 0.300 . 1 . . . . 25 LYS CB . 11239 1 211 . 1 1 25 25 LYS CD C 13 26.422 0.300 . 1 . . . . 25 LYS CD . 11239 1 212 . 1 1 25 25 LYS CE C 13 39.479 0.300 . 1 . . . . 25 LYS CE . 11239 1 213 . 1 1 25 25 LYS CG C 13 22.252 0.300 . 1 . . . . 25 LYS CG . 11239 1 214 . 1 1 25 25 LYS N N 15 127.980 0.300 . 1 . . . . 25 LYS N . 11239 1 215 . 1 1 26 26 ALA HA H 1 3.912 0.030 . 1 . . . . 26 ALA HA . 11239 1 216 . 1 1 26 26 ALA HB1 H 1 1.222 0.030 . 1 . . . . 26 ALA HB . 11239 1 217 . 1 1 26 26 ALA HB2 H 1 1.222 0.030 . 1 . . . . 26 ALA HB . 11239 1 218 . 1 1 26 26 ALA HB3 H 1 1.222 0.030 . 1 . . . . 26 ALA HB . 11239 1 219 . 1 1 26 26 ALA C C 13 177.367 0.300 . 1 . . . . 26 ALA C . 11239 1 220 . 1 1 26 26 ALA CA C 13 52.249 0.300 . 1 . . . . 26 ALA CA . 11239 1 221 . 1 1 26 26 ALA CB C 13 15.522 0.300 . 1 . . . . 26 ALA CB . 11239 1 222 . 1 1 27 27 ASN H H 1 6.912 0.030 . 1 . . . . 27 ASN H . 11239 1 223 . 1 1 27 27 ASN HA H 1 4.338 0.030 . 1 . . . . 27 ASN HA . 11239 1 224 . 1 1 27 27 ASN HB2 H 1 2.760 0.030 . 2 . . . . 27 ASN HB2 . 11239 1 225 . 1 1 27 27 ASN HB3 H 1 2.822 0.030 . 2 . . . . 27 ASN HB3 . 11239 1 226 . 1 1 27 27 ASN HD21 H 1 7.062 0.030 . 2 . . . . 27 ASN HD21 . 11239 1 227 . 1 1 27 27 ASN HD22 H 1 7.879 0.030 . 2 . . . . 27 ASN HD22 . 11239 1 228 . 1 1 27 27 ASN C C 13 174.945 0.300 . 1 . . . . 27 ASN C . 11239 1 229 . 1 1 27 27 ASN CA C 13 52.537 0.300 . 1 . . . . 27 ASN CA . 11239 1 230 . 1 1 27 27 ASN CB C 13 35.717 0.300 . 1 . . . . 27 ASN CB . 11239 1 231 . 1 1 27 27 ASN N N 15 113.467 0.300 . 1 . . . . 27 ASN N . 11239 1 232 . 1 1 27 27 ASN ND2 N 15 112.420 0.300 . 1 . . . . 27 ASN ND2 . 11239 1 233 . 1 1 28 28 LEU H H 1 6.937 0.030 . 1 . . . . 28 LEU H . 11239 1 234 . 1 1 28 28 LEU HA H 1 3.165 0.030 . 1 . . . . 28 LEU HA . 11239 1 235 . 1 1 28 28 LEU HB2 H 1 1.971 0.030 . 2 . . . . 28 LEU HB2 . 11239 1 236 . 1 1 28 28 LEU HB3 H 1 1.122 0.030 . 2 . . . . 28 LEU HB3 . 11239 1 237 . 1 1 28 28 LEU HD11 H 1 0.879 0.030 . 1 . . . . 28 LEU HD1 . 11239 1 238 . 1 1 28 28 LEU HD12 H 1 0.879 0.030 . 1 . . . . 28 LEU HD1 . 11239 1 239 . 1 1 28 28 LEU HD13 H 1 0.879 0.030 . 1 . . . . 28 LEU HD1 . 11239 1 240 . 1 1 28 28 LEU HD21 H 1 0.921 0.030 . 1 . . . . 28 LEU HD2 . 11239 1 241 . 1 1 28 28 LEU HD22 H 1 0.921 0.030 . 1 . . . . 28 LEU HD2 . 11239 1 242 . 1 1 28 28 LEU HD23 H 1 0.921 0.030 . 1 . . . . 28 LEU HD2 . 11239 1 243 . 1 1 28 28 LEU HG H 1 1.391 0.030 . 1 . . . . 28 LEU HG . 11239 1 244 . 1 1 28 28 LEU C C 13 174.933 0.300 . 1 . . . . 28 LEU C . 11239 1 245 . 1 1 28 28 LEU CA C 13 55.410 0.300 . 1 . . . . 28 LEU CA . 11239 1 246 . 1 1 28 28 LEU CB C 13 37.114 0.300 . 1 . . . . 28 LEU CB . 11239 1 247 . 1 1 28 28 LEU CD1 C 13 23.892 0.300 . 2 . . . . 28 LEU CD1 . 11239 1 248 . 1 1 28 28 LEU CD2 C 13 20.170 0.300 . 2 . . . . 28 LEU CD2 . 11239 1 249 . 1 1 28 28 LEU CG C 13 24.918 0.300 . 1 . . . . 28 LEU CG . 11239 1 250 . 1 1 28 28 LEU N N 15 123.256 0.300 . 1 . . . . 28 LEU N . 11239 1 251 . 1 1 29 29 THR H H 1 8.359 0.030 . 1 . . . . 29 THR H . 11239 1 252 . 1 1 29 29 THR HA H 1 3.839 0.030 . 1 . . . . 29 THR HA . 11239 1 253 . 1 1 29 29 THR HB H 1 3.995 0.030 . 1 . . . . 29 THR HB . 11239 1 254 . 1 1 29 29 THR HG21 H 1 1.078 0.030 . 1 . . . . 29 THR HG2 . 11239 1 255 . 1 1 29 29 THR HG22 H 1 1.078 0.030 . 1 . . . . 29 THR HG2 . 11239 1 256 . 1 1 29 29 THR HG23 H 1 1.078 0.030 . 1 . . . . 29 THR HG2 . 11239 1 257 . 1 1 29 29 THR C C 13 174.364 0.300 . 1 . . . . 29 THR C . 11239 1 258 . 1 1 29 29 THR CA C 13 63.683 0.300 . 1 . . . . 29 THR CA . 11239 1 259 . 1 1 29 29 THR CB C 13 65.714 0.300 . 1 . . . . 29 THR CB . 11239 1 260 . 1 1 29 29 THR CG2 C 13 19.487 0.300 . 1 . . . . 29 THR CG2 . 11239 1 261 . 1 1 29 29 THR N N 15 116.236 0.300 . 1 . . . . 29 THR N . 11239 1 262 . 1 1 30 30 GLN H H 1 7.414 0.030 . 1 . . . . 30 GLN H . 11239 1 263 . 1 1 30 30 GLN HA H 1 3.860 0.030 . 1 . . . . 30 GLN HA . 11239 1 264 . 1 1 30 30 GLN HB2 H 1 1.948 0.030 . 1 . . . . 30 GLN HB2 . 11239 1 265 . 1 1 30 30 GLN HB3 H 1 1.948 0.030 . 1 . . . . 30 GLN HB3 . 11239 1 266 . 1 1 30 30 GLN HE21 H 1 7.322 0.030 . 2 . . . . 30 GLN HE21 . 11239 1 267 . 1 1 30 30 GLN HE22 H 1 6.747 0.030 . 2 . . . . 30 GLN HE22 . 11239 1 268 . 1 1 30 30 GLN HG2 H 1 2.322 0.030 . 2 . . . . 30 GLN HG2 . 11239 1 269 . 1 1 30 30 GLN HG3 H 1 2.299 0.030 . 2 . . . . 30 GLN HG3 . 11239 1 270 . 1 1 30 30 GLN C C 13 175.744 0.300 . 1 . . . . 30 GLN C . 11239 1 271 . 1 1 30 30 GLN CA C 13 56.158 0.300 . 1 . . . . 30 GLN CA . 11239 1 272 . 1 1 30 30 GLN CB C 13 25.909 0.300 . 1 . . . . 30 GLN CB . 11239 1 273 . 1 1 30 30 GLN CG C 13 30.873 0.300 . 1 . . . . 30 GLN CG . 11239 1 274 . 1 1 30 30 GLN N N 15 118.935 0.300 . 1 . . . . 30 GLN N . 11239 1 275 . 1 1 30 30 GLN NE2 N 15 111.809 0.300 . 1 . . . . 30 GLN NE2 . 11239 1 276 . 1 1 31 31 HIS H H 1 7.471 0.030 . 1 . . . . 31 HIS H . 11239 1 277 . 1 1 31 31 HIS HA H 1 4.106 0.030 . 1 . . . . 31 HIS HA . 11239 1 278 . 1 1 31 31 HIS HB2 H 1 2.899 0.030 . 2 . . . . 31 HIS HB2 . 11239 1 279 . 1 1 31 31 HIS HB3 H 1 3.130 0.030 . 2 . . . . 31 HIS HB3 . 11239 1 280 . 1 1 31 31 HIS HD2 H 1 6.859 0.030 . 1 . . . . 31 HIS HD2 . 11239 1 281 . 1 1 31 31 HIS HE1 H 1 7.950 0.030 . 1 . . . . 31 HIS HE1 . 11239 1 282 . 1 1 31 31 HIS C C 13 173.588 0.300 . 1 . . . . 31 HIS C . 11239 1 283 . 1 1 31 31 HIS CA C 13 56.542 0.300 . 1 . . . . 31 HIS CA . 11239 1 284 . 1 1 31 31 HIS CB C 13 25.942 0.300 . 1 . . . . 31 HIS CB . 11239 1 285 . 1 1 31 31 HIS CD2 C 13 124.487 0.300 . 1 . . . . 31 HIS CD2 . 11239 1 286 . 1 1 31 31 HIS CE1 C 13 137.136 0.300 . 1 . . . . 31 HIS CE1 . 11239 1 287 . 1 1 31 31 HIS N N 15 119.621 0.300 . 1 . . . . 31 HIS N . 11239 1 288 . 1 1 32 32 GLN H H 1 8.279 0.030 . 1 . . . . 32 GLN H . 11239 1 289 . 1 1 32 32 GLN HA H 1 3.585 0.030 . 1 . . . . 32 GLN HA . 11239 1 290 . 1 1 32 32 GLN HB2 H 1 2.124 0.030 . 2 . . . . 32 GLN HB2 . 11239 1 291 . 1 1 32 32 GLN HB3 H 1 2.231 0.030 . 2 . . . . 32 GLN HB3 . 11239 1 292 . 1 1 32 32 GLN HE21 H 1 6.947 0.030 . 2 . . . . 32 GLN HE21 . 11239 1 293 . 1 1 32 32 GLN HE22 H 1 7.564 0.030 . 2 . . . . 32 GLN HE22 . 11239 1 294 . 1 1 32 32 GLN HG2 H 1 2.727 0.030 . 1 . . . . 32 GLN HG2 . 11239 1 295 . 1 1 32 32 GLN HG3 H 1 2.727 0.030 . 1 . . . . 32 GLN HG3 . 11239 1 296 . 1 1 32 32 GLN C C 13 174.719 0.300 . 1 . . . . 32 GLN C . 11239 1 297 . 1 1 32 32 GLN CA C 13 56.776 0.300 . 1 . . . . 32 GLN CA . 11239 1 298 . 1 1 32 32 GLN CB C 13 25.745 0.300 . 1 . . . . 32 GLN CB . 11239 1 299 . 1 1 32 32 GLN CG C 13 32.983 0.300 . 1 . . . . 32 GLN CG . 11239 1 300 . 1 1 32 32 GLN N N 15 115.138 0.300 . 1 . . . . 32 GLN N . 11239 1 301 . 1 1 32 32 GLN NE2 N 15 112.501 0.300 . 1 . . . . 32 GLN NE2 . 11239 1 302 . 1 1 33 33 ARG H H 1 7.023 0.030 . 1 . . . . 33 ARG H . 11239 1 303 . 1 1 33 33 ARG HA H 1 4.038 0.030 . 1 . . . . 33 ARG HA . 11239 1 304 . 1 1 33 33 ARG HB2 H 1 1.690 0.030 . 2 . . . . 33 ARG HB2 . 11239 1 305 . 1 1 33 33 ARG HB3 H 1 1.797 0.030 . 2 . . . . 33 ARG HB3 . 11239 1 306 . 1 1 33 33 ARG HD2 H 1 3.103 0.030 . 1 . . . . 33 ARG HD2 . 11239 1 307 . 1 1 33 33 ARG HD3 H 1 3.103 0.030 . 1 . . . . 33 ARG HD3 . 11239 1 308 . 1 1 33 33 ARG HG2 H 1 1.571 0.030 . 2 . . . . 33 ARG HG2 . 11239 1 309 . 1 1 33 33 ARG HG3 H 1 1.742 0.030 . 2 . . . . 33 ARG HG3 . 11239 1 310 . 1 1 33 33 ARG C C 13 175.935 0.300 . 1 . . . . 33 ARG C . 11239 1 311 . 1 1 33 33 ARG CA C 13 55.806 0.300 . 1 . . . . 33 ARG CA . 11239 1 312 . 1 1 33 33 ARG CB C 13 27.318 0.300 . 1 . . . . 33 ARG CB . 11239 1 313 . 1 1 33 33 ARG CD C 13 40.846 0.300 . 1 . . . . 33 ARG CD . 11239 1 314 . 1 1 33 33 ARG CG C 13 24.955 0.300 . 1 . . . . 33 ARG CG . 11239 1 315 . 1 1 33 33 ARG N N 15 117.333 0.300 . 1 . . . . 33 ARG N . 11239 1 316 . 1 1 34 34 ILE H H 1 7.716 0.030 . 1 . . . . 34 ILE H . 11239 1 317 . 1 1 34 34 ILE HA H 1 3.893 0.030 . 1 . . . . 34 ILE HA . 11239 1 318 . 1 1 34 34 ILE HB H 1 1.588 0.030 . 1 . . . . 34 ILE HB . 11239 1 319 . 1 1 34 34 ILE HD11 H 1 0.614 0.030 . 1 . . . . 34 ILE HD1 . 11239 1 320 . 1 1 34 34 ILE HD12 H 1 0.614 0.030 . 1 . . . . 34 ILE HD1 . 11239 1 321 . 1 1 34 34 ILE HD13 H 1 0.614 0.030 . 1 . . . . 34 ILE HD1 . 11239 1 322 . 1 1 34 34 ILE HG12 H 1 0.848 0.030 . 2 . . . . 34 ILE HG12 . 11239 1 323 . 1 1 34 34 ILE HG13 H 1 0.670 0.030 . 2 . . . . 34 ILE HG13 . 11239 1 324 . 1 1 34 34 ILE HG21 H 1 0.481 0.030 . 1 . . . . 34 ILE HG2 . 11239 1 325 . 1 1 34 34 ILE HG22 H 1 0.481 0.030 . 1 . . . . 34 ILE HG2 . 11239 1 326 . 1 1 34 34 ILE HG23 H 1 0.481 0.030 . 1 . . . . 34 ILE HG2 . 11239 1 327 . 1 1 34 34 ILE C C 13 174.785 0.300 . 1 . . . . 34 ILE C . 11239 1 328 . 1 1 34 34 ILE CA C 13 60.385 0.300 . 1 . . . . 34 ILE CA . 11239 1 329 . 1 1 34 34 ILE CB C 13 35.066 0.300 . 1 . . . . 34 ILE CB . 11239 1 330 . 1 1 34 34 ILE CD1 C 13 11.730 0.300 . 1 . . . . 34 ILE CD1 . 11239 1 331 . 1 1 34 34 ILE CG1 C 13 24.050 0.300 . 1 . . . . 34 ILE CG1 . 11239 1 332 . 1 1 34 34 ILE CG2 C 13 13.868 0.300 . 1 . . . . 34 ILE CG2 . 11239 1 333 . 1 1 34 34 ILE N N 15 116.092 0.300 . 1 . . . . 34 ILE N . 11239 1 334 . 1 1 35 35 HIS H H 1 7.098 0.030 . 1 . . . . 35 HIS H . 11239 1 335 . 1 1 35 35 HIS HA H 1 4.774 0.030 . 1 . . . . 35 HIS HA . 11239 1 336 . 1 1 35 35 HIS HB2 H 1 3.270 0.030 . 2 . . . . 35 HIS HB2 . 11239 1 337 . 1 1 35 35 HIS HB3 H 1 3.136 0.030 . 2 . . . . 35 HIS HB3 . 11239 1 338 . 1 1 35 35 HIS HD2 H 1 6.667 0.030 . 1 . . . . 35 HIS HD2 . 11239 1 339 . 1 1 35 35 HIS HE1 H 1 7.979 0.030 . 1 . . . . 35 HIS HE1 . 11239 1 340 . 1 1 35 35 HIS C C 13 173.172 0.300 . 1 . . . . 35 HIS C . 11239 1 341 . 1 1 35 35 HIS CA C 13 52.531 0.300 . 1 . . . . 35 HIS CA . 11239 1 342 . 1 1 35 35 HIS CB C 13 25.876 0.300 . 1 . . . . 35 HIS CB . 11239 1 343 . 1 1 35 35 HIS CD2 C 13 125.001 0.300 . 1 . . . . 35 HIS CD2 . 11239 1 344 . 1 1 35 35 HIS CE1 C 13 137.386 0.300 . 1 . . . . 35 HIS CE1 . 11239 1 345 . 1 1 35 35 HIS N N 15 117.611 0.300 . 1 . . . . 35 HIS N . 11239 1 346 . 1 1 36 36 THR H H 1 7.668 0.030 . 1 . . . . 36 THR H . 11239 1 347 . 1 1 36 36 THR HA H 1 4.266 0.030 . 1 . . . . 36 THR HA . 11239 1 348 . 1 1 36 36 THR HB H 1 4.238 0.030 . 1 . . . . 36 THR HB . 11239 1 349 . 1 1 36 36 THR HG21 H 1 1.147 0.030 . 1 . . . . 36 THR HG2 . 11239 1 350 . 1 1 36 36 THR HG22 H 1 1.147 0.030 . 1 . . . . 36 THR HG2 . 11239 1 351 . 1 1 36 36 THR HG23 H 1 1.147 0.030 . 1 . . . . 36 THR HG2 . 11239 1 352 . 1 1 36 36 THR C C 13 172.828 0.300 . 1 . . . . 36 THR C . 11239 1 353 . 1 1 36 36 THR CA C 13 59.838 0.300 . 1 . . . . 36 THR CA . 11239 1 354 . 1 1 36 36 THR CB C 13 67.176 0.300 . 1 . . . . 36 THR CB . 11239 1 355 . 1 1 36 36 THR CG2 C 13 18.961 0.300 . 1 . . . . 36 THR CG2 . 11239 1 356 . 1 1 36 36 THR N N 15 111.677 0.300 . 1 . . . . 36 THR N . 11239 1 357 . 1 1 37 37 GLY H H 1 8.118 0.030 . 1 . . . . 37 GLY H . 11239 1 358 . 1 1 37 37 GLY HA2 H 1 3.933 0.030 . 2 . . . . 37 GLY HA2 . 11239 1 359 . 1 1 37 37 GLY HA3 H 1 3.871 0.030 . 2 . . . . 37 GLY HA3 . 11239 1 360 . 1 1 37 37 GLY C C 13 171.468 0.300 . 1 . . . . 37 GLY C . 11239 1 361 . 1 1 37 37 GLY CA C 13 42.692 0.300 . 1 . . . . 37 GLY CA . 11239 1 362 . 1 1 37 37 GLY N N 15 110.498 0.300 . 1 . . . . 37 GLY N . 11239 1 363 . 1 1 38 38 GLU H H 1 7.981 0.030 . 1 . . . . 38 GLU H . 11239 1 364 . 1 1 38 38 GLU HA H 1 4.158 0.030 . 1 . . . . 38 GLU HA . 11239 1 365 . 1 1 38 38 GLU HB2 H 1 1.813 0.030 . 2 . . . . 38 GLU HB2 . 11239 1 366 . 1 1 38 38 GLU HB3 H 1 1.901 0.030 . 2 . . . . 38 GLU HB3 . 11239 1 367 . 1 1 38 38 GLU HG2 H 1 2.117 0.030 . 2 . . . . 38 GLU HG2 . 11239 1 368 . 1 1 38 38 GLU HG3 H 1 2.174 0.030 . 2 . . . . 38 GLU HG3 . 11239 1 369 . 1 1 38 38 GLU C C 13 173.909 0.300 . 1 . . . . 38 GLU C . 11239 1 370 . 1 1 38 38 GLU CA C 13 53.822 0.300 . 1 . . . . 38 GLU CA . 11239 1 371 . 1 1 38 38 GLU CB C 13 27.909 0.300 . 1 . . . . 38 GLU CB . 11239 1 372 . 1 1 38 38 GLU CG C 13 33.669 0.300 . 1 . . . . 38 GLU CG . 11239 1 373 . 1 1 38 38 GLU N N 15 120.500 0.300 . 1 . . . . 38 GLU N . 11239 1 374 . 1 1 39 39 LYS H H 1 8.281 0.030 . 1 . . . . 39 LYS H . 11239 1 375 . 1 1 39 39 LYS HA H 1 4.520 0.030 . 1 . . . . 39 LYS HA . 11239 1 376 . 1 1 39 39 LYS HB2 H 1 1.634 0.030 . 2 . . . . 39 LYS HB2 . 11239 1 377 . 1 1 39 39 LYS HB3 H 1 1.725 0.030 . 2 . . . . 39 LYS HB3 . 11239 1 378 . 1 1 39 39 LYS HD2 H 1 1.597 0.030 . 1 . . . . 39 LYS HD2 . 11239 1 379 . 1 1 39 39 LYS HD3 H 1 1.597 0.030 . 1 . . . . 39 LYS HD3 . 11239 1 380 . 1 1 39 39 LYS HE2 H 1 2.911 0.030 . 1 . . . . 39 LYS HE2 . 11239 1 381 . 1 1 39 39 LYS HE3 H 1 2.911 0.030 . 1 . . . . 39 LYS HE3 . 11239 1 382 . 1 1 39 39 LYS HG2 H 1 1.371 0.030 . 1 . . . . 39 LYS HG2 . 11239 1 383 . 1 1 39 39 LYS HG3 H 1 1.371 0.030 . 1 . . . . 39 LYS HG3 . 11239 1 384 . 1 1 39 39 LYS C C 13 171.343 0.300 . 1 . . . . 39 LYS C . 11239 1 385 . 1 1 39 39 LYS CA C 13 51.431 0.300 . 1 . . . . 39 LYS CA . 11239 1 386 . 1 1 39 39 LYS CB C 13 29.909 0.300 . 1 . . . . 39 LYS CB . 11239 1 387 . 1 1 39 39 LYS CD C 13 26.491 0.300 . 1 . . . . 39 LYS CD . 11239 1 388 . 1 1 39 39 LYS CE C 13 39.568 0.300 . 1 . . . . 39 LYS CE . 11239 1 389 . 1 1 39 39 LYS CG C 13 21.885 0.300 . 1 . . . . 39 LYS CG . 11239 1 390 . 1 1 39 39 LYS N N 15 123.617 0.300 . 1 . . . . 39 LYS N . 11239 1 391 . 1 1 40 40 PRO HA H 1 4.373 0.030 . 1 . . . . 40 PRO HA . 11239 1 392 . 1 1 40 40 PRO HB2 H 1 1.851 0.030 . 2 . . . . 40 PRO HB2 . 11239 1 393 . 1 1 40 40 PRO HB3 H 1 2.213 0.030 . 2 . . . . 40 PRO HB3 . 11239 1 394 . 1 1 40 40 PRO HD2 H 1 3.553 0.030 . 2 . . . . 40 PRO HD2 . 11239 1 395 . 1 1 40 40 PRO HD3 H 1 3.724 0.030 . 2 . . . . 40 PRO HD3 . 11239 1 396 . 1 1 40 40 PRO HG2 H 1 1.909 0.030 . 2 . . . . 40 PRO HG2 . 11239 1 397 . 1 1 40 40 PRO HG3 H 1 1.943 0.030 . 2 . . . . 40 PRO HG3 . 11239 1 398 . 1 1 40 40 PRO C C 13 174.409 0.300 . 1 . . . . 40 PRO C . 11239 1 399 . 1 1 40 40 PRO CA C 13 60.564 0.300 . 1 . . . . 40 PRO CA . 11239 1 400 . 1 1 40 40 PRO CB C 13 29.480 0.300 . 1 . . . . 40 PRO CB . 11239 1 401 . 1 1 40 40 PRO CD C 13 47.956 0.300 . 1 . . . . 40 PRO CD . 11239 1 402 . 1 1 40 40 PRO CG C 13 24.782 0.300 . 1 . . . . 40 PRO CG . 11239 1 403 . 1 1 41 41 SER H H 1 8.371 0.030 . 1 . . . . 41 SER H . 11239 1 404 . 1 1 41 41 SER HA H 1 4.378 0.030 . 1 . . . . 41 SER HA . 11239 1 405 . 1 1 41 41 SER HB2 H 1 3.789 0.030 . 1 . . . . 41 SER HB2 . 11239 1 406 . 1 1 41 41 SER HB3 H 1 3.789 0.030 . 1 . . . . 41 SER HB3 . 11239 1 407 . 1 1 41 41 SER C C 13 172.076 0.300 . 1 . . . . 41 SER C . 11239 1 408 . 1 1 41 41 SER CA C 13 55.670 0.300 . 1 . . . . 41 SER CA . 11239 1 409 . 1 1 41 41 SER CB C 13 61.396 0.300 . 1 . . . . 41 SER CB . 11239 1 410 . 1 1 41 41 SER N N 15 116.330 0.300 . 1 . . . . 41 SER N . 11239 1 411 . 1 1 42 42 GLY H H 1 8.116 0.030 . 1 . . . . 42 GLY H . 11239 1 412 . 1 1 42 42 GLY HA2 H 1 4.069 0.030 . 2 . . . . 42 GLY HA2 . 11239 1 413 . 1 1 42 42 GLY HA3 H 1 4.017 0.030 . 2 . . . . 42 GLY HA3 . 11239 1 414 . 1 1 42 42 GLY C C 13 169.218 0.300 . 1 . . . . 42 GLY C . 11239 1 415 . 1 1 42 42 GLY CA C 13 42.034 0.300 . 1 . . . . 42 GLY CA . 11239 1 416 . 1 1 42 42 GLY N N 15 110.522 0.300 . 1 . . . . 42 GLY N . 11239 1 417 . 1 1 43 43 PRO HA H 1 4.383 0.030 . 1 . . . . 43 PRO HA . 11239 1 418 . 1 1 43 43 PRO HB2 H 1 1.903 0.030 . 2 . . . . 43 PRO HB2 . 11239 1 419 . 1 1 43 43 PRO HB3 H 1 2.202 0.030 . 2 . . . . 43 PRO HB3 . 11239 1 420 . 1 1 43 43 PRO HD2 H 1 3.536 0.030 . 1 . . . . 43 PRO HD2 . 11239 1 421 . 1 1 43 43 PRO HD3 H 1 3.536 0.030 . 1 . . . . 43 PRO HD3 . 11239 1 422 . 1 1 43 43 PRO HG2 H 1 1.926 0.030 . 1 . . . . 43 PRO HG2 . 11239 1 423 . 1 1 43 43 PRO HG3 H 1 1.926 0.030 . 1 . . . . 43 PRO HG3 . 11239 1 424 . 1 1 43 43 PRO CA C 13 60.671 0.300 . 1 . . . . 43 PRO CA . 11239 1 425 . 1 1 43 43 PRO CB C 13 29.499 0.300 . 1 . . . . 43 PRO CB . 11239 1 426 . 1 1 43 43 PRO CD C 13 47.167 0.300 . 1 . . . . 43 PRO CD . 11239 1 427 . 1 1 43 43 PRO CG C 13 24.544 0.300 . 1 . . . . 43 PRO CG . 11239 1 428 . 1 1 44 44 SER HA H 1 4.419 0.030 . 1 . . . . 44 SER HA . 11239 1 429 . 1 1 44 44 SER HB2 H 1 3.812 0.030 . 1 . . . . 44 SER HB2 . 11239 1 430 . 1 1 44 44 SER HB3 H 1 3.812 0.030 . 1 . . . . 44 SER HB3 . 11239 1 431 . 1 1 44 44 SER C C 13 172.048 0.300 . 1 . . . . 44 SER C . 11239 1 432 . 1 1 44 44 SER CA C 13 55.923 0.300 . 1 . . . . 44 SER CA . 11239 1 433 . 1 1 44 44 SER CB C 13 61.241 0.300 . 1 . . . . 44 SER CB . 11239 1 434 . 1 1 45 45 SER H H 1 8.219 0.030 . 1 . . . . 45 SER H . 11239 1 435 . 1 1 45 45 SER HA H 1 4.480 0.030 . 1 . . . . 45 SER HA . 11239 1 436 . 1 1 45 45 SER HB2 H 1 3.800 0.030 . 1 . . . . 45 SER HB2 . 11239 1 437 . 1 1 45 45 SER HB3 H 1 3.800 0.030 . 1 . . . . 45 SER HB3 . 11239 1 438 . 1 1 45 45 SER C C 13 171.313 0.300 . 1 . . . . 45 SER C . 11239 1 439 . 1 1 45 45 SER CA C 13 55.642 0.300 . 1 . . . . 45 SER CA . 11239 1 440 . 1 1 45 45 SER CB C 13 61.288 0.300 . 1 . . . . 45 SER CB . 11239 1 441 . 1 1 45 45 SER N N 15 117.721 0.300 . 1 . . . . 45 SER N . 11239 1 442 . 1 1 46 46 GLY H H 1 7.935 0.030 . 1 . . . . 46 GLY H . 11239 1 443 . 1 1 46 46 GLY HA2 H 1 3.660 0.030 . 2 . . . . 46 GLY HA2 . 11239 1 444 . 1 1 46 46 GLY HA3 H 1 3.709 0.030 . 2 . . . . 46 GLY HA3 . 11239 1 445 . 1 1 46 46 GLY C C 13 176.360 0.300 . 1 . . . . 46 GLY C . 11239 1 446 . 1 1 46 46 GLY CA C 13 43.623 0.300 . 1 . . . . 46 GLY CA . 11239 1 447 . 1 1 46 46 GLY N N 15 116.763 0.300 . 1 . . . . 46 GLY N . 11239 1 stop_ save_