################################### # 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 10224 _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 10224 1 2 '3D 15N-separated NOESY' 1 $sample_1 isotropic 10224 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 3.984 0.030 . 1 . . . . 7 GLY HA2 . 10224 1 2 . 1 1 7 7 GLY HA3 H 1 3.984 0.030 . 1 . . . . 7 GLY HA3 . 10224 1 3 . 1 1 7 7 GLY C C 13 174.243 0.300 . 1 . . . . 7 GLY C . 10224 1 4 . 1 1 7 7 GLY CA C 13 45.345 0.300 . 1 . . . . 7 GLY CA . 10224 1 5 . 1 1 8 8 THR H H 1 8.056 0.030 . 1 . . . . 8 THR H . 10224 1 6 . 1 1 8 8 THR HA H 1 4.351 0.030 . 1 . . . . 8 THR HA . 10224 1 7 . 1 1 8 8 THR HB H 1 4.212 0.030 . 1 . . . . 8 THR HB . 10224 1 8 . 1 1 8 8 THR HG21 H 1 1.176 0.030 . 1 . . . . 8 THR HG2 . 10224 1 9 . 1 1 8 8 THR HG22 H 1 1.176 0.030 . 1 . . . . 8 THR HG2 . 10224 1 10 . 1 1 8 8 THR HG23 H 1 1.176 0.030 . 1 . . . . 8 THR HG2 . 10224 1 11 . 1 1 8 8 THR C C 13 174.506 0.300 . 1 . . . . 8 THR C . 10224 1 12 . 1 1 8 8 THR CA C 13 61.679 0.300 . 1 . . . . 8 THR CA . 10224 1 13 . 1 1 8 8 THR CB C 13 70.039 0.300 . 1 . . . . 8 THR CB . 10224 1 14 . 1 1 8 8 THR CG2 C 13 21.596 0.300 . 1 . . . . 8 THR CG2 . 10224 1 15 . 1 1 8 8 THR N N 15 114.027 0.300 . 1 . . . . 8 THR N . 10224 1 16 . 1 1 9 9 ARG H H 1 8.379 0.030 . 1 . . . . 9 ARG H . 10224 1 17 . 1 1 9 9 ARG HA H 1 4.291 0.030 . 1 . . . . 9 ARG HA . 10224 1 18 . 1 1 9 9 ARG HB2 H 1 1.807 0.030 . 2 . . . . 9 ARG HB2 . 10224 1 19 . 1 1 9 9 ARG HB3 H 1 1.719 0.030 . 2 . . . . 9 ARG HB3 . 10224 1 20 . 1 1 9 9 ARG HD2 H 1 3.167 0.030 . 1 . . . . 9 ARG HD2 . 10224 1 21 . 1 1 9 9 ARG HD3 H 1 3.167 0.030 . 1 . . . . 9 ARG HD3 . 10224 1 22 . 1 1 9 9 ARG HG2 H 1 1.606 0.030 . 1 . . . . 9 ARG HG2 . 10224 1 23 . 1 1 9 9 ARG HG3 H 1 1.606 0.030 . 1 . . . . 9 ARG HG3 . 10224 1 24 . 1 1 9 9 ARG C C 13 176.137 0.300 . 1 . . . . 9 ARG C . 10224 1 25 . 1 1 9 9 ARG CA C 13 56.291 0.300 . 1 . . . . 9 ARG CA . 10224 1 26 . 1 1 9 9 ARG CB C 13 30.735 0.300 . 1 . . . . 9 ARG CB . 10224 1 27 . 1 1 9 9 ARG CD C 13 43.346 0.300 . 1 . . . . 9 ARG CD . 10224 1 28 . 1 1 9 9 ARG CG C 13 27.011 0.300 . 1 . . . . 9 ARG CG . 10224 1 29 . 1 1 9 9 ARG N N 15 123.323 0.300 . 1 . . . . 9 ARG N . 10224 1 30 . 1 1 10 10 GLU H H 1 8.420 0.030 . 1 . . . . 10 GLU H . 10224 1 31 . 1 1 10 10 GLU HA H 1 4.142 0.030 . 1 . . . . 10 GLU HA . 10224 1 32 . 1 1 10 10 GLU HB2 H 1 2.000 0.030 . 2 . . . . 10 GLU HB2 . 10224 1 33 . 1 1 10 10 GLU HB3 H 1 1.921 0.030 . 2 . . . . 10 GLU HB3 . 10224 1 34 . 1 1 10 10 GLU HG2 H 1 2.279 0.030 . 2 . . . . 10 GLU HG2 . 10224 1 35 . 1 1 10 10 GLU HG3 H 1 2.237 0.030 . 2 . . . . 10 GLU HG3 . 10224 1 36 . 1 1 10 10 GLU C C 13 176.102 0.300 . 1 . . . . 10 GLU C . 10224 1 37 . 1 1 10 10 GLU CA C 13 57.284 0.300 . 1 . . . . 10 GLU CA . 10224 1 38 . 1 1 10 10 GLU CB C 13 30.289 0.300 . 1 . . . . 10 GLU CB . 10224 1 39 . 1 1 10 10 GLU CG C 13 36.222 0.300 . 1 . . . . 10 GLU CG . 10224 1 40 . 1 1 10 10 GLU N N 15 121.984 0.300 . 1 . . . . 10 GLU N . 10224 1 41 . 1 1 11 11 LYS H H 1 8.035 0.030 . 1 . . . . 11 LYS H . 10224 1 42 . 1 1 11 11 LYS HA H 1 4.545 0.030 . 1 . . . . 11 LYS HA . 10224 1 43 . 1 1 11 11 LYS HB2 H 1 1.595 0.030 . 2 . . . . 11 LYS HB2 . 10224 1 44 . 1 1 11 11 LYS HB3 H 1 1.468 0.030 . 2 . . . . 11 LYS HB3 . 10224 1 45 . 1 1 11 11 LYS HD2 H 1 1.523 0.030 . 1 . . . . 11 LYS HD2 . 10224 1 46 . 1 1 11 11 LYS HD3 H 1 1.523 0.030 . 1 . . . . 11 LYS HD3 . 10224 1 47 . 1 1 11 11 LYS HE2 H 1 2.908 0.030 . 1 . . . . 11 LYS HE2 . 10224 1 48 . 1 1 11 11 LYS HE3 H 1 2.908 0.030 . 1 . . . . 11 LYS HE3 . 10224 1 49 . 1 1 11 11 LYS HG2 H 1 1.310 0.030 . 2 . . . . 11 LYS HG2 . 10224 1 50 . 1 1 11 11 LYS HG3 H 1 1.207 0.030 . 2 . . . . 11 LYS HG3 . 10224 1 51 . 1 1 11 11 LYS C C 13 173.979 0.300 . 1 . . . . 11 LYS C . 10224 1 52 . 1 1 11 11 LYS CA C 13 53.589 0.300 . 1 . . . . 11 LYS CA . 10224 1 53 . 1 1 11 11 LYS CB C 13 33.028 0.300 . 1 . . . . 11 LYS CB . 10224 1 54 . 1 1 11 11 LYS CD C 13 29.598 0.300 . 1 . . . . 11 LYS CD . 10224 1 55 . 1 1 11 11 LYS CE C 13 42.188 0.300 . 1 . . . . 11 LYS CE . 10224 1 56 . 1 1 11 11 LYS CG C 13 24.773 0.300 . 1 . . . . 11 LYS CG . 10224 1 57 . 1 1 11 11 LYS N N 15 120.453 0.300 . 1 . . . . 11 LYS N . 10224 1 58 . 1 1 12 12 PRO HA H 1 4.290 0.030 . 1 . . . . 12 PRO HA . 10224 1 59 . 1 1 12 12 PRO HB2 H 1 1.372 0.030 . 2 . . . . 12 PRO HB2 . 10224 1 60 . 1 1 12 12 PRO HB3 H 1 2.029 0.030 . 2 . . . . 12 PRO HB3 . 10224 1 61 . 1 1 12 12 PRO HD2 H 1 3.678 0.030 . 1 . . . . 12 PRO HD2 . 10224 1 62 . 1 1 12 12 PRO HD3 H 1 3.678 0.030 . 1 . . . . 12 PRO HD3 . 10224 1 63 . 1 1 12 12 PRO HG2 H 1 1.844 0.030 . 2 . . . . 12 PRO HG2 . 10224 1 64 . 1 1 12 12 PRO HG3 H 1 1.714 0.030 . 2 . . . . 12 PRO HG3 . 10224 1 65 . 1 1 12 12 PRO C C 13 176.186 0.300 . 1 . . . . 12 PRO C . 10224 1 66 . 1 1 12 12 PRO CA C 13 63.385 0.300 . 1 . . . . 12 PRO CA . 10224 1 67 . 1 1 12 12 PRO CB C 13 32.283 0.300 . 1 . . . . 12 PRO CB . 10224 1 68 . 1 1 12 12 PRO CD C 13 50.338 0.300 . 1 . . . . 12 PRO CD . 10224 1 69 . 1 1 12 12 PRO CG C 13 26.789 0.300 . 1 . . . . 12 PRO CG . 10224 1 70 . 1 1 13 13 TYR H H 1 8.036 0.030 . 1 . . . . 13 TYR H . 10224 1 71 . 1 1 13 13 TYR HA H 1 4.568 0.030 . 1 . . . . 13 TYR HA . 10224 1 72 . 1 1 13 13 TYR HB2 H 1 3.020 0.030 . 2 . . . . 13 TYR HB2 . 10224 1 73 . 1 1 13 13 TYR HB3 H 1 2.861 0.030 . 2 . . . . 13 TYR HB3 . 10224 1 74 . 1 1 13 13 TYR HD1 H 1 7.050 0.030 . 1 . . . . 13 TYR HD1 . 10224 1 75 . 1 1 13 13 TYR HD2 H 1 7.050 0.030 . 1 . . . . 13 TYR HD2 . 10224 1 76 . 1 1 13 13 TYR HE1 H 1 6.906 0.030 . 1 . . . . 13 TYR HE1 . 10224 1 77 . 1 1 13 13 TYR HE2 H 1 6.906 0.030 . 1 . . . . 13 TYR HE2 . 10224 1 78 . 1 1 13 13 TYR C C 13 174.612 0.300 . 1 . . . . 13 TYR C . 10224 1 79 . 1 1 13 13 TYR CA C 13 57.760 0.300 . 1 . . . . 13 TYR CA . 10224 1 80 . 1 1 13 13 TYR CB C 13 38.387 0.300 . 1 . . . . 13 TYR CB . 10224 1 81 . 1 1 13 13 TYR CD1 C 13 133.595 0.300 . 1 . . . . 13 TYR CD1 . 10224 1 82 . 1 1 13 13 TYR CD2 C 13 133.595 0.300 . 1 . . . . 13 TYR CD2 . 10224 1 83 . 1 1 13 13 TYR CE1 C 13 117.929 0.300 . 1 . . . . 13 TYR CE1 . 10224 1 84 . 1 1 13 13 TYR CE2 C 13 117.929 0.300 . 1 . . . . 13 TYR CE2 . 10224 1 85 . 1 1 13 13 TYR N N 15 118.849 0.300 . 1 . . . . 13 TYR N . 10224 1 86 . 1 1 14 14 GLU H H 1 8.552 0.030 . 1 . . . . 14 GLU H . 10224 1 87 . 1 1 14 14 GLU HA H 1 4.923 0.030 . 1 . . . . 14 GLU HA . 10224 1 88 . 1 1 14 14 GLU HB2 H 1 1.812 0.030 . 1 . . . . 14 GLU HB2 . 10224 1 89 . 1 1 14 14 GLU HB3 H 1 1.812 0.030 . 1 . . . . 14 GLU HB3 . 10224 1 90 . 1 1 14 14 GLU HG2 H 1 1.999 0.030 . 2 . . . . 14 GLU HG2 . 10224 1 91 . 1 1 14 14 GLU HG3 H 1 1.921 0.030 . 2 . . . . 14 GLU HG3 . 10224 1 92 . 1 1 14 14 GLU C C 13 175.204 0.300 . 1 . . . . 14 GLU C . 10224 1 93 . 1 1 14 14 GLU CA C 13 54.910 0.300 . 1 . . . . 14 GLU CA . 10224 1 94 . 1 1 14 14 GLU CB C 13 33.000 0.300 . 1 . . . . 14 GLU CB . 10224 1 95 . 1 1 14 14 GLU CG C 13 36.652 0.300 . 1 . . . . 14 GLU CG . 10224 1 96 . 1 1 14 14 GLU N N 15 123.988 0.300 . 1 . . . . 14 GLU N . 10224 1 97 . 1 1 15 15 CYS H H 1 9.288 0.030 . 1 . . . . 15 CYS H . 10224 1 98 . 1 1 15 15 CYS HA H 1 4.591 0.030 . 1 . . . . 15 CYS HA . 10224 1 99 . 1 1 15 15 CYS HB2 H 1 2.899 0.030 . 2 . . . . 15 CYS HB2 . 10224 1 100 . 1 1 15 15 CYS HB3 H 1 3.439 0.030 . 2 . . . . 15 CYS HB3 . 10224 1 101 . 1 1 15 15 CYS C C 13 177.502 0.300 . 1 . . . . 15 CYS C . 10224 1 102 . 1 1 15 15 CYS CA C 13 59.594 0.300 . 1 . . . . 15 CYS CA . 10224 1 103 . 1 1 15 15 CYS CB C 13 29.754 0.300 . 1 . . . . 15 CYS CB . 10224 1 104 . 1 1 15 15 CYS N N 15 126.830 0.300 . 1 . . . . 15 CYS N . 10224 1 105 . 1 1 16 16 SER H H 1 9.383 0.030 . 1 . . . . 16 SER H . 10224 1 106 . 1 1 16 16 SER HA H 1 4.287 0.030 . 1 . . . . 16 SER HA . 10224 1 107 . 1 1 16 16 SER HB2 H 1 4.053 0.030 . 2 . . . . 16 SER HB2 . 10224 1 108 . 1 1 16 16 SER HB3 H 1 4.006 0.030 . 2 . . . . 16 SER HB3 . 10224 1 109 . 1 1 16 16 SER C C 13 174.508 0.300 . 1 . . . . 16 SER C . 10224 1 110 . 1 1 16 16 SER CA C 13 60.955 0.300 . 1 . . . . 16 SER CA . 10224 1 111 . 1 1 16 16 SER CB C 13 63.100 0.300 . 1 . . . . 16 SER CB . 10224 1 112 . 1 1 16 16 SER N N 15 128.427 0.300 . 1 . . . . 16 SER N . 10224 1 113 . 1 1 17 17 GLU H H 1 8.727 0.030 . 1 . . . . 17 GLU H . 10224 1 114 . 1 1 17 17 GLU HA H 1 4.258 0.030 . 1 . . . . 17 GLU HA . 10224 1 115 . 1 1 17 17 GLU HB2 H 1 1.415 0.030 . 1 . . . . 17 GLU HB2 . 10224 1 116 . 1 1 17 17 GLU HB3 H 1 1.415 0.030 . 1 . . . . 17 GLU HB3 . 10224 1 117 . 1 1 17 17 GLU HG2 H 1 1.774 0.030 . 2 . . . . 17 GLU HG2 . 10224 1 118 . 1 1 17 17 GLU HG3 H 1 1.908 0.030 . 2 . . . . 17 GLU HG3 . 10224 1 119 . 1 1 17 17 GLU C C 13 177.133 0.300 . 1 . . . . 17 GLU C . 10224 1 120 . 1 1 17 17 GLU CA C 13 58.110 0.300 . 1 . . . . 17 GLU CA . 10224 1 121 . 1 1 17 17 GLU CB C 13 29.738 0.300 . 1 . . . . 17 GLU CB . 10224 1 122 . 1 1 17 17 GLU CG C 13 35.709 0.300 . 1 . . . . 17 GLU CG . 10224 1 123 . 1 1 17 17 GLU N N 15 123.127 0.300 . 1 . . . . 17 GLU N . 10224 1 124 . 1 1 18 18 CYS H H 1 7.939 0.030 . 1 . . . . 18 CYS H . 10224 1 125 . 1 1 18 18 CYS HA H 1 5.177 0.030 . 1 . . . . 18 CYS HA . 10224 1 126 . 1 1 18 18 CYS HB2 H 1 2.839 0.030 . 2 . . . . 18 CYS HB2 . 10224 1 127 . 1 1 18 18 CYS HB3 H 1 3.436 0.030 . 2 . . . . 18 CYS HB3 . 10224 1 128 . 1 1 18 18 CYS C C 13 176.246 0.300 . 1 . . . . 18 CYS C . 10224 1 129 . 1 1 18 18 CYS CA C 13 58.259 0.300 . 1 . . . . 18 CYS CA . 10224 1 130 . 1 1 18 18 CYS CB C 13 32.602 0.300 . 1 . . . . 18 CYS CB . 10224 1 131 . 1 1 18 18 CYS N N 15 114.781 0.300 . 1 . . . . 18 CYS N . 10224 1 132 . 1 1 19 19 GLY H H 1 8.186 0.030 . 1 . . . . 19 GLY H . 10224 1 133 . 1 1 19 19 GLY HA2 H 1 4.233 0.030 . 2 . . . . 19 GLY HA2 . 10224 1 134 . 1 1 19 19 GLY HA3 H 1 3.870 0.030 . 2 . . . . 19 GLY HA3 . 10224 1 135 . 1 1 19 19 GLY C C 13 173.749 0.300 . 1 . . . . 19 GLY C . 10224 1 136 . 1 1 19 19 GLY CA C 13 46.118 0.300 . 1 . . . . 19 GLY CA . 10224 1 137 . 1 1 19 19 GLY N N 15 113.365 0.300 . 1 . . . . 19 GLY N . 10224 1 138 . 1 1 20 20 LYS H H 1 8.006 0.030 . 1 . . . . 20 LYS H . 10224 1 139 . 1 1 20 20 LYS HA H 1 3.923 0.030 . 1 . . . . 20 LYS HA . 10224 1 140 . 1 1 20 20 LYS HB2 H 1 1.385 0.030 . 2 . . . . 20 LYS HB2 . 10224 1 141 . 1 1 20 20 LYS HB3 H 1 1.175 0.030 . 2 . . . . 20 LYS HB3 . 10224 1 142 . 1 1 20 20 LYS HD2 H 1 1.480 0.030 . 2 . . . . 20 LYS HD2 . 10224 1 143 . 1 1 20 20 LYS HD3 H 1 1.432 0.030 . 2 . . . . 20 LYS HD3 . 10224 1 144 . 1 1 20 20 LYS HE2 H 1 2.970 0.030 . 2 . . . . 20 LYS HE2 . 10224 1 145 . 1 1 20 20 LYS HE3 H 1 2.908 0.030 . 2 . . . . 20 LYS HE3 . 10224 1 146 . 1 1 20 20 LYS HG2 H 1 1.396 0.030 . 2 . . . . 20 LYS HG2 . 10224 1 147 . 1 1 20 20 LYS HG3 H 1 1.070 0.030 . 2 . . . . 20 LYS HG3 . 10224 1 148 . 1 1 20 20 LYS C C 13 173.687 0.300 . 1 . . . . 20 LYS C . 10224 1 149 . 1 1 20 20 LYS CA C 13 58.226 0.300 . 1 . . . . 20 LYS CA . 10224 1 150 . 1 1 20 20 LYS CB C 13 33.596 0.300 . 1 . . . . 20 LYS CB . 10224 1 151 . 1 1 20 20 LYS CD C 13 29.337 0.300 . 1 . . . . 20 LYS CD . 10224 1 152 . 1 1 20 20 LYS CE C 13 42.179 0.300 . 1 . . . . 20 LYS CE . 10224 1 153 . 1 1 20 20 LYS CG C 13 26.188 0.300 . 1 . . . . 20 LYS CG . 10224 1 154 . 1 1 20 20 LYS N N 15 123.138 0.300 . 1 . . . . 20 LYS N . 10224 1 155 . 1 1 21 21 ALA H H 1 7.748 0.030 . 1 . . . . 21 ALA H . 10224 1 156 . 1 1 21 21 ALA HA H 1 5.177 0.030 . 1 . . . . 21 ALA HA . 10224 1 157 . 1 1 21 21 ALA HB1 H 1 1.205 0.030 . 1 . . . . 21 ALA HB . 10224 1 158 . 1 1 21 21 ALA HB2 H 1 1.205 0.030 . 1 . . . . 21 ALA HB . 10224 1 159 . 1 1 21 21 ALA HB3 H 1 1.205 0.030 . 1 . . . . 21 ALA HB . 10224 1 160 . 1 1 21 21 ALA C C 13 176.281 0.300 . 1 . . . . 21 ALA C . 10224 1 161 . 1 1 21 21 ALA CA C 13 50.328 0.300 . 1 . . . . 21 ALA CA . 10224 1 162 . 1 1 21 21 ALA CB C 13 22.412 0.300 . 1 . . . . 21 ALA CB . 10224 1 163 . 1 1 21 21 ALA N N 15 123.859 0.300 . 1 . . . . 21 ALA N . 10224 1 164 . 1 1 22 22 PHE H H 1 8.670 0.030 . 1 . . . . 22 PHE H . 10224 1 165 . 1 1 22 22 PHE HA H 1 4.744 0.030 . 1 . . . . 22 PHE HA . 10224 1 166 . 1 1 22 22 PHE HB2 H 1 2.621 0.030 . 2 . . . . 22 PHE HB2 . 10224 1 167 . 1 1 22 22 PHE HB3 H 1 3.522 0.030 . 2 . . . . 22 PHE HB3 . 10224 1 168 . 1 1 22 22 PHE HD1 H 1 7.196 0.030 . 1 . . . . 22 PHE HD1 . 10224 1 169 . 1 1 22 22 PHE HD2 H 1 7.196 0.030 . 1 . . . . 22 PHE HD2 . 10224 1 170 . 1 1 22 22 PHE HE1 H 1 6.848 0.030 . 1 . . . . 22 PHE HE1 . 10224 1 171 . 1 1 22 22 PHE HE2 H 1 6.848 0.030 . 1 . . . . 22 PHE HE2 . 10224 1 172 . 1 1 22 22 PHE HZ H 1 6.270 0.030 . 1 . . . . 22 PHE HZ . 10224 1 173 . 1 1 22 22 PHE C C 13 175.220 0.300 . 1 . . . . 22 PHE C . 10224 1 174 . 1 1 22 22 PHE CA C 13 57.170 0.300 . 1 . . . . 22 PHE CA . 10224 1 175 . 1 1 22 22 PHE CB C 13 43.555 0.300 . 1 . . . . 22 PHE CB . 10224 1 176 . 1 1 22 22 PHE CD1 C 13 132.493 0.300 . 1 . . . . 22 PHE CD1 . 10224 1 177 . 1 1 22 22 PHE CD2 C 13 132.493 0.300 . 1 . . . . 22 PHE CD2 . 10224 1 178 . 1 1 22 22 PHE CE1 C 13 130.566 0.300 . 1 . . . . 22 PHE CE1 . 10224 1 179 . 1 1 22 22 PHE CE2 C 13 130.566 0.300 . 1 . . . . 22 PHE CE2 . 10224 1 180 . 1 1 22 22 PHE CZ C 13 128.641 0.300 . 1 . . . . 22 PHE CZ . 10224 1 181 . 1 1 22 22 PHE N N 15 117.277 0.300 . 1 . . . . 22 PHE N . 10224 1 182 . 1 1 23 23 ILE H H 1 8.681 0.030 . 1 . . . . 23 ILE H . 10224 1 183 . 1 1 23 23 ILE HA H 1 4.317 0.030 . 1 . . . . 23 ILE HA . 10224 1 184 . 1 1 23 23 ILE HB H 1 2.060 0.030 . 1 . . . . 23 ILE HB . 10224 1 185 . 1 1 23 23 ILE HD11 H 1 0.970 0.030 . 1 . . . . 23 ILE HD1 . 10224 1 186 . 1 1 23 23 ILE HD12 H 1 0.970 0.030 . 1 . . . . 23 ILE HD1 . 10224 1 187 . 1 1 23 23 ILE HD13 H 1 0.970 0.030 . 1 . . . . 23 ILE HD1 . 10224 1 188 . 1 1 23 23 ILE HG12 H 1 1.687 0.030 . 2 . . . . 23 ILE HG12 . 10224 1 189 . 1 1 23 23 ILE HG13 H 1 1.417 0.030 . 2 . . . . 23 ILE HG13 . 10224 1 190 . 1 1 23 23 ILE HG21 H 1 1.084 0.030 . 1 . . . . 23 ILE HG2 . 10224 1 191 . 1 1 23 23 ILE HG22 H 1 1.084 0.030 . 1 . . . . 23 ILE HG2 . 10224 1 192 . 1 1 23 23 ILE HG23 H 1 1.084 0.030 . 1 . . . . 23 ILE HG2 . 10224 1 193 . 1 1 23 23 ILE C C 13 175.969 0.300 . 1 . . . . 23 ILE C . 10224 1 194 . 1 1 23 23 ILE CA C 13 63.252 0.300 . 1 . . . . 23 ILE CA . 10224 1 195 . 1 1 23 23 ILE CB C 13 38.840 0.300 . 1 . . . . 23 ILE CB . 10224 1 196 . 1 1 23 23 ILE CD1 C 13 13.413 0.300 . 1 . . . . 23 ILE CD1 . 10224 1 197 . 1 1 23 23 ILE CG1 C 13 28.464 0.300 . 1 . . . . 23 ILE CG1 . 10224 1 198 . 1 1 23 23 ILE CG2 C 13 17.911 0.300 . 1 . . . . 23 ILE CG2 . 10224 1 199 . 1 1 23 23 ILE N N 15 119.186 0.300 . 1 . . . . 23 ILE N . 10224 1 200 . 1 1 24 24 ARG H H 1 7.716 0.030 . 1 . . . . 24 ARG H . 10224 1 201 . 1 1 24 24 ARG HA H 1 4.794 0.030 . 1 . . . . 24 ARG HA . 10224 1 202 . 1 1 24 24 ARG HB2 H 1 1.606 0.030 . 2 . . . . 24 ARG HB2 . 10224 1 203 . 1 1 24 24 ARG HB3 H 1 1.993 0.030 . 2 . . . . 24 ARG HB3 . 10224 1 204 . 1 1 24 24 ARG HD2 H 1 3.266 0.030 . 2 . . . . 24 ARG HD2 . 10224 1 205 . 1 1 24 24 ARG HD3 H 1 3.180 0.030 . 2 . . . . 24 ARG HD3 . 10224 1 206 . 1 1 24 24 ARG HG2 H 1 1.674 0.030 . 1 . . . . 24 ARG HG2 . 10224 1 207 . 1 1 24 24 ARG HG3 H 1 1.674 0.030 . 1 . . . . 24 ARG HG3 . 10224 1 208 . 1 1 24 24 ARG C C 13 176.531 0.300 . 1 . . . . 24 ARG C . 10224 1 209 . 1 1 24 24 ARG CA C 13 53.902 0.300 . 1 . . . . 24 ARG CA . 10224 1 210 . 1 1 24 24 ARG CB C 13 33.380 0.300 . 1 . . . . 24 ARG CB . 10224 1 211 . 1 1 24 24 ARG CD C 13 43.295 0.300 . 1 . . . . 24 ARG CD . 10224 1 212 . 1 1 24 24 ARG CG C 13 27.425 0.300 . 1 . . . . 24 ARG CG . 10224 1 213 . 1 1 24 24 ARG N N 15 115.336 0.300 . 1 . . . . 24 ARG N . 10224 1 214 . 1 1 25 25 ASN H H 1 8.492 0.030 . 1 . . . . 25 ASN H . 10224 1 215 . 1 1 25 25 ASN HA H 1 3.587 0.030 . 1 . . . . 25 ASN HA . 10224 1 216 . 1 1 25 25 ASN HB2 H 1 2.355 0.030 . 2 . . . . 25 ASN HB2 . 10224 1 217 . 1 1 25 25 ASN HB3 H 1 1.919 0.030 . 2 . . . . 25 ASN HB3 . 10224 1 218 . 1 1 25 25 ASN HD21 H 1 7.127 0.030 . 2 . . . . 25 ASN HD21 . 10224 1 219 . 1 1 25 25 ASN HD22 H 1 6.761 0.030 . 2 . . . . 25 ASN HD22 . 10224 1 220 . 1 1 25 25 ASN C C 13 177.332 0.300 . 1 . . . . 25 ASN C . 10224 1 221 . 1 1 25 25 ASN CA C 13 56.127 0.300 . 1 . . . . 25 ASN CA . 10224 1 222 . 1 1 25 25 ASN CB C 13 38.325 0.300 . 1 . . . . 25 ASN CB . 10224 1 223 . 1 1 25 25 ASN N N 15 124.604 0.300 . 1 . . . . 25 ASN N . 10224 1 224 . 1 1 25 25 ASN ND2 N 15 111.596 0.300 . 1 . . . . 25 ASN ND2 . 10224 1 225 . 1 1 26 26 SER HA H 1 3.868 0.030 . 1 . . . . 26 SER HA . 10224 1 226 . 1 1 26 26 SER HB2 H 1 3.825 0.030 . 1 . . . . 26 SER HB2 . 10224 1 227 . 1 1 26 26 SER HB3 H 1 3.825 0.030 . 1 . . . . 26 SER HB3 . 10224 1 228 . 1 1 26 26 SER C C 13 176.671 0.300 . 1 . . . . 26 SER C . 10224 1 229 . 1 1 26 26 SER CA C 13 61.484 0.300 . 1 . . . . 26 SER CA . 10224 1 230 . 1 1 26 26 SER CB C 13 59.671 0.300 . 1 . . . . 26 SER CB . 10224 1 231 . 1 1 26 26 SER N N 15 116.000 0.300 . 1 . . . . 26 SER N . 10224 1 232 . 1 1 27 27 GLN H H 1 6.676 0.030 . 1 . . . . 27 GLN H . 10224 1 233 . 1 1 27 27 GLN HA H 1 3.939 0.030 . 1 . . . . 27 GLN HA . 10224 1 234 . 1 1 27 27 GLN HB2 H 1 2.434 0.030 . 2 . . . . 27 GLN HB2 . 10224 1 235 . 1 1 27 27 GLN HB3 H 1 1.989 0.030 . 2 . . . . 27 GLN HB3 . 10224 1 236 . 1 1 27 27 GLN HE21 H 1 7.623 0.030 . 2 . . . . 27 GLN HE21 . 10224 1 237 . 1 1 27 27 GLN HE22 H 1 6.955 0.030 . 2 . . . . 27 GLN HE22 . 10224 1 238 . 1 1 27 27 GLN HG2 H 1 2.309 0.030 . 2 . . . . 27 GLN HG2 . 10224 1 239 . 1 1 27 27 GLN HG3 H 1 2.466 0.030 . 2 . . . . 27 GLN HG3 . 10224 1 240 . 1 1 27 27 GLN C C 13 178.435 0.300 . 1 . . . . 27 GLN C . 10224 1 241 . 1 1 27 27 GLN CA C 13 57.514 0.300 . 1 . . . . 27 GLN CA . 10224 1 242 . 1 1 27 27 GLN CB C 13 28.989 0.300 . 1 . . . . 27 GLN CB . 10224 1 243 . 1 1 27 27 GLN CG C 13 34.442 0.300 . 1 . . . . 27 GLN CG . 10224 1 244 . 1 1 27 27 GLN N N 15 119.416 0.300 . 1 . . . . 27 GLN N . 10224 1 245 . 1 1 27 27 GLN NE2 N 15 111.489 0.300 . 1 . . . . 27 GLN NE2 . 10224 1 246 . 1 1 28 28 LEU H H 1 6.916 0.030 . 1 . . . . 28 LEU H . 10224 1 247 . 1 1 28 28 LEU HA H 1 3.284 0.030 . 1 . . . . 28 LEU HA . 10224 1 248 . 1 1 28 28 LEU HB2 H 1 1.256 0.030 . 2 . . . . 28 LEU HB2 . 10224 1 249 . 1 1 28 28 LEU HB3 H 1 2.150 0.030 . 2 . . . . 28 LEU HB3 . 10224 1 250 . 1 1 28 28 LEU HD11 H 1 1.054 0.030 . 1 . . . . 28 LEU HD1 . 10224 1 251 . 1 1 28 28 LEU HD12 H 1 1.054 0.030 . 1 . . . . 28 LEU HD1 . 10224 1 252 . 1 1 28 28 LEU HD13 H 1 1.054 0.030 . 1 . . . . 28 LEU HD1 . 10224 1 253 . 1 1 28 28 LEU HD21 H 1 1.060 0.030 . 1 . . . . 28 LEU HD2 . 10224 1 254 . 1 1 28 28 LEU HD22 H 1 1.060 0.030 . 1 . . . . 28 LEU HD2 . 10224 1 255 . 1 1 28 28 LEU HD23 H 1 1.060 0.030 . 1 . . . . 28 LEU HD2 . 10224 1 256 . 1 1 28 28 LEU HG H 1 1.525 0.030 . 1 . . . . 28 LEU HG . 10224 1 257 . 1 1 28 28 LEU C C 13 177.490 0.300 . 1 . . . . 28 LEU C . 10224 1 258 . 1 1 28 28 LEU CA C 13 57.911 0.300 . 1 . . . . 28 LEU CA . 10224 1 259 . 1 1 28 28 LEU CB C 13 40.185 0.300 . 1 . . . . 28 LEU CB . 10224 1 260 . 1 1 28 28 LEU CD1 C 13 26.212 0.300 . 2 . . . . 28 LEU CD1 . 10224 1 261 . 1 1 28 28 LEU CD2 C 13 22.856 0.300 . 2 . . . . 28 LEU CD2 . 10224 1 262 . 1 1 28 28 LEU CG C 13 27.427 0.300 . 1 . . . . 28 LEU CG . 10224 1 263 . 1 1 28 28 LEU N N 15 122.389 0.300 . 1 . . . . 28 LEU N . 10224 1 264 . 1 1 29 29 ILE H H 1 7.971 0.030 . 1 . . . . 29 ILE H . 10224 1 265 . 1 1 29 29 ILE HA H 1 3.731 0.030 . 1 . . . . 29 ILE HA . 10224 1 266 . 1 1 29 29 ILE HB H 1 1.749 0.030 . 1 . . . . 29 ILE HB . 10224 1 267 . 1 1 29 29 ILE HD11 H 1 0.720 0.030 . 1 . . . . 29 ILE HD1 . 10224 1 268 . 1 1 29 29 ILE HD12 H 1 0.720 0.030 . 1 . . . . 29 ILE HD1 . 10224 1 269 . 1 1 29 29 ILE HD13 H 1 0.720 0.030 . 1 . . . . 29 ILE HD1 . 10224 1 270 . 1 1 29 29 ILE HG12 H 1 1.158 0.030 . 2 . . . . 29 ILE HG12 . 10224 1 271 . 1 1 29 29 ILE HG13 H 1 1.472 0.030 . 2 . . . . 29 ILE HG13 . 10224 1 272 . 1 1 29 29 ILE HG21 H 1 0.838 0.030 . 1 . . . . 29 ILE HG2 . 10224 1 273 . 1 1 29 29 ILE HG22 H 1 0.838 0.030 . 1 . . . . 29 ILE HG2 . 10224 1 274 . 1 1 29 29 ILE HG23 H 1 0.838 0.030 . 1 . . . . 29 ILE HG2 . 10224 1 275 . 1 1 29 29 ILE C C 13 179.073 0.300 . 1 . . . . 29 ILE C . 10224 1 276 . 1 1 29 29 ILE CA C 13 64.438 0.300 . 1 . . . . 29 ILE CA . 10224 1 277 . 1 1 29 29 ILE CB C 13 37.464 0.300 . 1 . . . . 29 ILE CB . 10224 1 278 . 1 1 29 29 ILE CD1 C 13 12.666 0.300 . 1 . . . . 29 ILE CD1 . 10224 1 279 . 1 1 29 29 ILE CG1 C 13 28.625 0.300 . 1 . . . . 29 ILE CG1 . 10224 1 280 . 1 1 29 29 ILE CG2 C 13 17.094 0.300 . 1 . . . . 29 ILE CG2 . 10224 1 281 . 1 1 29 29 ILE N N 15 119.136 0.300 . 1 . . . . 29 ILE N . 10224 1 282 . 1 1 30 30 VAL H H 1 7.101 0.030 . 1 . . . . 30 VAL H . 10224 1 283 . 1 1 30 30 VAL HA H 1 3.510 0.030 . 1 . . . . 30 VAL HA . 10224 1 284 . 1 1 30 30 VAL HB H 1 1.898 0.030 . 1 . . . . 30 VAL HB . 10224 1 285 . 1 1 30 30 VAL HG11 H 1 0.904 0.030 . 1 . . . . 30 VAL HG1 . 10224 1 286 . 1 1 30 30 VAL HG12 H 1 0.904 0.030 . 1 . . . . 30 VAL HG1 . 10224 1 287 . 1 1 30 30 VAL HG13 H 1 0.904 0.030 . 1 . . . . 30 VAL HG1 . 10224 1 288 . 1 1 30 30 VAL HG21 H 1 1.024 0.030 . 1 . . . . 30 VAL HG2 . 10224 1 289 . 1 1 30 30 VAL HG22 H 1 1.024 0.030 . 1 . . . . 30 VAL HG2 . 10224 1 290 . 1 1 30 30 VAL HG23 H 1 1.024 0.030 . 1 . . . . 30 VAL HG2 . 10224 1 291 . 1 1 30 30 VAL C C 13 178.913 0.300 . 1 . . . . 30 VAL C . 10224 1 292 . 1 1 30 30 VAL CA C 13 66.454 0.300 . 1 . . . . 30 VAL CA . 10224 1 293 . 1 1 30 30 VAL CB C 13 31.972 0.300 . 1 . . . . 30 VAL CB . 10224 1 294 . 1 1 30 30 VAL CG1 C 13 21.082 0.300 . 2 . . . . 30 VAL CG1 . 10224 1 295 . 1 1 30 30 VAL CG2 C 13 22.589 0.300 . 2 . . . . 30 VAL CG2 . 10224 1 296 . 1 1 30 30 VAL N N 15 118.445 0.300 . 1 . . . . 30 VAL N . 10224 1 297 . 1 1 31 31 HIS H H 1 7.640 0.030 . 1 . . . . 31 HIS H . 10224 1 298 . 1 1 31 31 HIS HA H 1 4.227 0.030 . 1 . . . . 31 HIS HA . 10224 1 299 . 1 1 31 31 HIS HB2 H 1 2.870 0.030 . 2 . . . . 31 HIS HB2 . 10224 1 300 . 1 1 31 31 HIS HB3 H 1 3.097 0.030 . 2 . . . . 31 HIS HB3 . 10224 1 301 . 1 1 31 31 HIS HD2 H 1 6.973 0.030 . 1 . . . . 31 HIS HD2 . 10224 1 302 . 1 1 31 31 HIS HE1 H 1 8.000 0.030 . 1 . . . . 31 HIS HE1 . 10224 1 303 . 1 1 31 31 HIS C C 13 178.068 0.300 . 1 . . . . 31 HIS C . 10224 1 304 . 1 1 31 31 HIS CA C 13 59.324 0.300 . 1 . . . . 31 HIS CA . 10224 1 305 . 1 1 31 31 HIS CB C 13 28.585 0.300 . 1 . . . . 31 HIS CB . 10224 1 306 . 1 1 31 31 HIS CD2 C 13 127.248 0.300 . 1 . . . . 31 HIS CD2 . 10224 1 307 . 1 1 31 31 HIS CE1 C 13 139.748 0.300 . 1 . . . . 31 HIS CE1 . 10224 1 308 . 1 1 31 31 HIS N N 15 119.473 0.300 . 1 . . . . 31 HIS N . 10224 1 309 . 1 1 32 32 GLN H H 1 9.000 0.030 . 1 . . . . 32 GLN H . 10224 1 310 . 1 1 32 32 GLN HA H 1 3.726 0.030 . 1 . . . . 32 GLN HA . 10224 1 311 . 1 1 32 32 GLN HB2 H 1 2.182 0.030 . 2 . . . . 32 GLN HB2 . 10224 1 312 . 1 1 32 32 GLN HB3 H 1 2.363 0.030 . 2 . . . . 32 GLN HB3 . 10224 1 313 . 1 1 32 32 GLN HE21 H 1 7.655 0.030 . 2 . . . . 32 GLN HE21 . 10224 1 314 . 1 1 32 32 GLN HE22 H 1 6.919 0.030 . 2 . . . . 32 GLN HE22 . 10224 1 315 . 1 1 32 32 GLN HG2 H 1 2.833 0.030 . 2 . . . . 32 GLN HG2 . 10224 1 316 . 1 1 32 32 GLN HG3 H 1 2.769 0.030 . 2 . . . . 32 GLN HG3 . 10224 1 317 . 1 1 32 32 GLN C C 13 178.082 0.300 . 1 . . . . 32 GLN C . 10224 1 318 . 1 1 32 32 GLN CA C 13 59.828 0.300 . 1 . . . . 32 GLN CA . 10224 1 319 . 1 1 32 32 GLN CB C 13 28.009 0.300 . 1 . . . . 32 GLN CB . 10224 1 320 . 1 1 32 32 GLN CG C 13 35.459 0.300 . 1 . . . . 32 GLN CG . 10224 1 321 . 1 1 32 32 GLN N N 15 120.303 0.300 . 1 . . . . 32 GLN N . 10224 1 322 . 1 1 32 32 GLN NE2 N 15 111.620 0.300 . 1 . . . . 32 GLN NE2 . 10224 1 323 . 1 1 33 33 ARG H H 1 7.300 0.030 . 1 . . . . 33 ARG H . 10224 1 324 . 1 1 33 33 ARG HA H 1 4.192 0.030 . 1 . . . . 33 ARG HA . 10224 1 325 . 1 1 33 33 ARG HB2 H 1 1.958 0.030 . 2 . . . . 33 ARG HB2 . 10224 1 326 . 1 1 33 33 ARG HB3 H 1 1.863 0.030 . 2 . . . . 33 ARG HB3 . 10224 1 327 . 1 1 33 33 ARG HD2 H 1 3.182 0.030 . 1 . . . . 33 ARG HD2 . 10224 1 328 . 1 1 33 33 ARG HD3 H 1 3.182 0.030 . 1 . . . . 33 ARG HD3 . 10224 1 329 . 1 1 33 33 ARG HG2 H 1 1.686 0.030 . 2 . . . . 33 ARG HG2 . 10224 1 330 . 1 1 33 33 ARG HG3 H 1 1.893 0.030 . 2 . . . . 33 ARG HG3 . 10224 1 331 . 1 1 33 33 ARG C C 13 178.428 0.300 . 1 . . . . 33 ARG C . 10224 1 332 . 1 1 33 33 ARG CA C 13 58.472 0.300 . 1 . . . . 33 ARG CA . 10224 1 333 . 1 1 33 33 ARG CB C 13 29.899 0.300 . 1 . . . . 33 ARG CB . 10224 1 334 . 1 1 33 33 ARG CD C 13 43.699 0.300 . 1 . . . . 33 ARG CD . 10224 1 335 . 1 1 33 33 ARG CG C 13 27.788 0.300 . 1 . . . . 33 ARG CG . 10224 1 336 . 1 1 33 33 ARG N N 15 117.936 0.300 . 1 . . . . 33 ARG N . 10224 1 337 . 1 1 34 34 THR H H 1 7.787 0.030 . 1 . . . . 34 THR H . 10224 1 338 . 1 1 34 34 THR HA H 1 4.127 0.030 . 1 . . . . 34 THR HA . 10224 1 339 . 1 1 34 34 THR HB H 1 4.001 0.030 . 1 . . . . 34 THR HB . 10224 1 340 . 1 1 34 34 THR HG21 H 1 1.153 0.030 . 1 . . . . 34 THR HG2 . 10224 1 341 . 1 1 34 34 THR HG22 H 1 1.153 0.030 . 1 . . . . 34 THR HG2 . 10224 1 342 . 1 1 34 34 THR HG23 H 1 1.153 0.030 . 1 . . . . 34 THR HG2 . 10224 1 343 . 1 1 34 34 THR C C 13 175.625 0.300 . 1 . . . . 34 THR C . 10224 1 344 . 1 1 34 34 THR CA C 13 64.023 0.300 . 1 . . . . 34 THR CA . 10224 1 345 . 1 1 34 34 THR CB C 13 69.314 0.300 . 1 . . . . 34 THR CB . 10224 1 346 . 1 1 34 34 THR CG2 C 13 20.942 0.300 . 1 . . . . 34 THR CG2 . 10224 1 347 . 1 1 34 34 THR N N 15 109.902 0.300 . 1 . . . . 34 THR N . 10224 1 348 . 1 1 35 35 HIS H H 1 7.100 0.030 . 1 . . . . 35 HIS H . 10224 1 349 . 1 1 35 35 HIS HA H 1 4.859 0.030 . 1 . . . . 35 HIS HA . 10224 1 350 . 1 1 35 35 HIS HB2 H 1 3.158 0.030 . 2 . . . . 35 HIS HB2 . 10224 1 351 . 1 1 35 35 HIS HB3 H 1 3.346 0.030 . 2 . . . . 35 HIS HB3 . 10224 1 352 . 1 1 35 35 HIS HD2 H 1 6.681 0.030 . 1 . . . . 35 HIS HD2 . 10224 1 353 . 1 1 35 35 HIS HE1 H 1 8.013 0.030 . 1 . . . . 35 HIS HE1 . 10224 1 354 . 1 1 35 35 HIS C C 13 175.369 0.300 . 1 . . . . 35 HIS C . 10224 1 355 . 1 1 35 35 HIS CA C 13 55.421 0.300 . 1 . . . . 35 HIS CA . 10224 1 356 . 1 1 35 35 HIS CB C 13 28.730 0.300 . 1 . . . . 35 HIS CB . 10224 1 357 . 1 1 35 35 HIS CD2 C 13 127.131 0.300 . 1 . . . . 35 HIS CD2 . 10224 1 358 . 1 1 35 35 HIS CE1 C 13 139.948 0.300 . 1 . . . . 35 HIS CE1 . 10224 1 359 . 1 1 35 35 HIS N N 15 118.308 0.300 . 1 . . . . 35 HIS N . 10224 1 360 . 1 1 36 36 SER H H 1 7.832 0.030 . 1 . . . . 36 SER H . 10224 1 361 . 1 1 36 36 SER HA H 1 4.488 0.030 . 1 . . . . 36 SER HA . 10224 1 362 . 1 1 36 36 SER HB2 H 1 3.970 0.030 . 2 . . . . 36 SER HB2 . 10224 1 363 . 1 1 36 36 SER HB3 H 1 3.913 0.030 . 2 . . . . 36 SER HB3 . 10224 1 364 . 1 1 36 36 SER C C 13 175.116 0.300 . 1 . . . . 36 SER C . 10224 1 365 . 1 1 36 36 SER CA C 13 58.823 0.300 . 1 . . . . 36 SER CA . 10224 1 366 . 1 1 36 36 SER CB C 13 63.948 0.300 . 1 . . . . 36 SER CB . 10224 1 367 . 1 1 36 36 SER N N 15 114.683 0.300 . 1 . . . . 36 SER N . 10224 1 368 . 1 1 37 37 GLY H H 1 8.324 0.030 . 1 . . . . 37 GLY H . 10224 1 369 . 1 1 37 37 GLY HA2 H 1 4.012 0.030 . 1 . . . . 37 GLY HA2 . 10224 1 370 . 1 1 37 37 GLY HA3 H 1 4.012 0.030 . 1 . . . . 37 GLY HA3 . 10224 1 371 . 1 1 37 37 GLY C C 13 174.303 0.300 . 1 . . . . 37 GLY C . 10224 1 372 . 1 1 37 37 GLY CA C 13 45.417 0.300 . 1 . . . . 37 GLY CA . 10224 1 373 . 1 1 37 37 GLY N N 15 110.893 0.300 . 1 . . . . 37 GLY N . 10224 1 374 . 1 1 38 38 GLU H H 1 8.206 0.030 . 1 . . . . 38 GLU H . 10224 1 375 . 1 1 38 38 GLU HA H 1 4.331 0.030 . 1 . . . . 38 GLU HA . 10224 1 376 . 1 1 38 38 GLU HB2 H 1 2.074 0.030 . 2 . . . . 38 GLU HB2 . 10224 1 377 . 1 1 38 38 GLU HB3 H 1 1.922 0.030 . 2 . . . . 38 GLU HB3 . 10224 1 378 . 1 1 38 38 GLU HG2 H 1 2.261 0.030 . 1 . . . . 38 GLU HG2 . 10224 1 379 . 1 1 38 38 GLU HG3 H 1 2.261 0.030 . 1 . . . . 38 GLU HG3 . 10224 1 380 . 1 1 38 38 GLU C C 13 176.590 0.300 . 1 . . . . 38 GLU C . 10224 1 381 . 1 1 38 38 GLU CA C 13 56.589 0.300 . 1 . . . . 38 GLU CA . 10224 1 382 . 1 1 38 38 GLU CB C 13 30.477 0.300 . 1 . . . . 38 GLU CB . 10224 1 383 . 1 1 38 38 GLU CG C 13 36.412 0.300 . 1 . . . . 38 GLU CG . 10224 1 384 . 1 1 38 38 GLU N N 15 120.603 0.300 . 1 . . . . 38 GLU N . 10224 1 385 . 1 1 39 39 SER H H 1 8.416 0.030 . 1 . . . . 39 SER H . 10224 1 386 . 1 1 39 39 SER HA H 1 4.490 0.030 . 1 . . . . 39 SER HA . 10224 1 387 . 1 1 39 39 SER HB2 H 1 3.885 0.030 . 1 . . . . 39 SER HB2 . 10224 1 388 . 1 1 39 39 SER HB3 H 1 3.885 0.030 . 1 . . . . 39 SER HB3 . 10224 1 389 . 1 1 39 39 SER C C 13 174.575 0.300 . 1 . . . . 39 SER C . 10224 1 390 . 1 1 39 39 SER CA C 13 58.289 0.300 . 1 . . . . 39 SER CA . 10224 1 391 . 1 1 39 39 SER CB C 13 63.935 0.300 . 1 . . . . 39 SER CB . 10224 1 392 . 1 1 39 39 SER N N 15 116.772 0.300 . 1 . . . . 39 SER N . 10224 1 393 . 1 1 40 40 GLY H H 1 8.240 0.030 . 1 . . . . 40 GLY H . 10224 1 394 . 1 1 40 40 GLY HA2 H 1 4.149 0.030 . 2 . . . . 40 GLY HA2 . 10224 1 395 . 1 1 40 40 GLY HA3 H 1 4.051 0.030 . 2 . . . . 40 GLY HA3 . 10224 1 396 . 1 1 40 40 GLY C C 13 171.726 0.300 . 1 . . . . 40 GLY C . 10224 1 397 . 1 1 40 40 GLY CA C 13 44.662 0.300 . 1 . . . . 40 GLY CA . 10224 1 398 . 1 1 40 40 GLY N N 15 110.640 0.300 . 1 . . . . 40 GLY N . 10224 1 399 . 1 1 41 41 PRO HA H 1 4.481 0.030 . 1 . . . . 41 PRO HA . 10224 1 400 . 1 1 41 41 PRO HB2 H 1 1.969 0.030 . 2 . . . . 41 PRO HB2 . 10224 1 401 . 1 1 41 41 PRO HB3 H 1 2.288 0.030 . 2 . . . . 41 PRO HB3 . 10224 1 402 . 1 1 41 41 PRO HD2 H 1 3.620 0.030 . 1 . . . . 41 PRO HD2 . 10224 1 403 . 1 1 41 41 PRO HD3 H 1 3.620 0.030 . 1 . . . . 41 PRO HD3 . 10224 1 404 . 1 1 41 41 PRO HG2 H 1 2.012 0.030 . 1 . . . . 41 PRO HG2 . 10224 1 405 . 1 1 41 41 PRO HG3 H 1 2.012 0.030 . 1 . . . . 41 PRO HG3 . 10224 1 406 . 1 1 41 41 PRO C C 13 177.367 0.300 . 1 . . . . 41 PRO C . 10224 1 407 . 1 1 41 41 PRO CA C 13 63.234 0.300 . 1 . . . . 41 PRO CA . 10224 1 408 . 1 1 41 41 PRO CB C 13 32.193 0.300 . 1 . . . . 41 PRO CB . 10224 1 409 . 1 1 41 41 PRO CD C 13 49.786 0.300 . 1 . . . . 41 PRO CD . 10224 1 410 . 1 1 41 41 PRO CG C 13 27.145 0.300 . 1 . . . . 41 PRO CG . 10224 1 411 . 1 1 42 42 SER H H 1 8.538 0.030 . 1 . . . . 42 SER H . 10224 1 412 . 1 1 42 42 SER C C 13 174.673 0.300 . 1 . . . . 42 SER C . 10224 1 413 . 1 1 42 42 SER CA C 13 58.495 0.300 . 1 . . . . 42 SER CA . 10224 1 414 . 1 1 42 42 SER CB C 13 64.033 0.300 . 1 . . . . 42 SER CB . 10224 1 415 . 1 1 42 42 SER N N 15 116.501 0.300 . 1 . . . . 42 SER N . 10224 1 stop_ save_