################################### # 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 10210 _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 10210 1 2 '3D 15N-separated NOESY' 1 $sample_1 isotropic 10210 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 8 8 THR CA C 13 61.784 0.300 . 1 . . . . 8 THR CA . 10210 1 2 . 1 1 8 8 THR HA H 1 4.319 0.030 . 1 . . . . 8 THR HA . 10210 1 3 . 1 1 8 8 THR CB C 13 69.847 0.300 . 1 . . . . 8 THR CB . 10210 1 4 . 1 1 8 8 THR HB H 1 4.305 0.030 . 1 . . . . 8 THR HB . 10210 1 5 . 1 1 8 8 THR CG2 C 13 21.506 0.300 . 1 . . . . 8 THR CG2 . 10210 1 6 . 1 1 8 8 THR HG21 H 1 1.156 0.030 . 1 . . . . 8 THR HG2 . 10210 1 7 . 1 1 8 8 THR HG22 H 1 1.156 0.030 . 1 . . . . 8 THR HG2 . 10210 1 8 . 1 1 8 8 THR HG23 H 1 1.156 0.030 . 1 . . . . 8 THR HG2 . 10210 1 9 . 1 1 8 8 THR C C 13 175.419 0.300 . 1 . . . . 8 THR C . 10210 1 10 . 1 1 9 9 GLY N N 15 110.845 0.300 . 1 . . . . 9 GLY N . 10210 1 11 . 1 1 9 9 GLY H H 1 8.420 0.030 . 1 . . . . 9 GLY H . 10210 1 12 . 1 1 9 9 GLY CA C 13 45.170 0.300 . 1 . . . . 9 GLY CA . 10210 1 13 . 1 1 9 9 GLY HA2 H 1 3.904 0.030 . 1 . . . . 9 GLY HA2 . 10210 1 14 . 1 1 9 9 GLY HA3 H 1 3.904 0.030 . 1 . . . . 9 GLY HA3 . 10210 1 15 . 1 1 9 9 GLY C C 13 174.056 0.300 . 1 . . . . 9 GLY C . 10210 1 16 . 1 1 10 10 GLU N N 15 120.245 0.300 . 1 . . . . 10 GLU N . 10210 1 17 . 1 1 10 10 GLU H H 1 8.182 0.030 . 1 . . . . 10 GLU H . 10210 1 18 . 1 1 10 10 GLU CA C 13 56.868 0.300 . 1 . . . . 10 GLU CA . 10210 1 19 . 1 1 10 10 GLU HA H 1 4.130 0.030 . 1 . . . . 10 GLU HA . 10210 1 20 . 1 1 10 10 GLU CB C 13 30.270 0.300 . 1 . . . . 10 GLU CB . 10210 1 21 . 1 1 10 10 GLU HB2 H 1 1.875 0.030 . 2 . . . . 10 GLU HB2 . 10210 1 22 . 1 1 10 10 GLU HB3 H 1 1.947 0.030 . 2 . . . . 10 GLU HB3 . 10210 1 23 . 1 1 10 10 GLU CG C 13 36.426 0.300 . 1 . . . . 10 GLU CG . 10210 1 24 . 1 1 10 10 GLU HG2 H 1 2.207 0.030 . 2 . . . . 10 GLU HG2 . 10210 1 25 . 1 1 10 10 GLU HG3 H 1 2.172 0.030 . 2 . . . . 10 GLU HG3 . 10210 1 26 . 1 1 10 10 GLU C C 13 176.191 0.300 . 1 . . . . 10 GLU C . 10210 1 27 . 1 1 11 11 LYS N N 15 121.318 0.300 . 1 . . . . 11 LYS N . 10210 1 28 . 1 1 11 11 LYS H H 1 8.244 0.030 . 1 . . . . 11 LYS H . 10210 1 29 . 1 1 11 11 LYS CA C 13 53.800 0.300 . 1 . . . . 11 LYS CA . 10210 1 30 . 1 1 11 11 LYS HA H 1 4.483 0.030 . 1 . . . . 11 LYS HA . 10210 1 31 . 1 1 11 11 LYS CB C 13 32.900 0.300 . 1 . . . . 11 LYS CB . 10210 1 32 . 1 1 11 11 LYS HB2 H 1 1.556 0.030 . 2 . . . . 11 LYS HB2 . 10210 1 33 . 1 1 11 11 LYS HB3 H 1 1.359 0.030 . 2 . . . . 11 LYS HB3 . 10210 1 34 . 1 1 11 11 LYS CG C 13 24.962 0.300 . 1 . . . . 11 LYS CG . 10210 1 35 . 1 1 11 11 LYS HG2 H 1 1.283 0.030 . 2 . . . . 11 LYS HG2 . 10210 1 36 . 1 1 11 11 LYS HG3 H 1 1.040 0.030 . 2 . . . . 11 LYS HG3 . 10210 1 37 . 1 1 11 11 LYS CD C 13 29.516 0.300 . 1 . . . . 11 LYS CD . 10210 1 38 . 1 1 11 11 LYS HD2 H 1 1.472 0.030 . 2 . . . . 11 LYS HD2 . 10210 1 39 . 1 1 11 11 LYS HD3 H 1 1.427 0.030 . 2 . . . . 11 LYS HD3 . 10210 1 40 . 1 1 11 11 LYS CE C 13 42.128 0.300 . 1 . . . . 11 LYS CE . 10210 1 41 . 1 1 11 11 LYS HE2 H 1 2.855 0.030 . 1 . . . . 11 LYS HE2 . 10210 1 42 . 1 1 11 11 LYS HE3 H 1 2.855 0.030 . 1 . . . . 11 LYS HE3 . 10210 1 43 . 1 1 11 11 LYS C C 13 174.450 0.300 . 1 . . . . 11 LYS C . 10210 1 44 . 1 1 12 12 PRO CA C 13 63.627 0.300 . 1 . . . . 12 PRO CA . 10210 1 45 . 1 1 12 12 PRO HA H 1 4.275 0.030 . 1 . . . . 12 PRO HA . 10210 1 46 . 1 1 12 12 PRO CB C 13 32.265 0.300 . 1 . . . . 12 PRO CB . 10210 1 47 . 1 1 12 12 PRO HB2 H 1 2.000 0.030 . 2 . . . . 12 PRO HB2 . 10210 1 48 . 1 1 12 12 PRO HB3 H 1 1.368 0.030 . 2 . . . . 12 PRO HB3 . 10210 1 49 . 1 1 12 12 PRO CG C 13 26.661 0.300 . 1 . . . . 12 PRO CG . 10210 1 50 . 1 1 12 12 PRO HG2 H 1 1.808 0.030 . 2 . . . . 12 PRO HG2 . 10210 1 51 . 1 1 12 12 PRO HG3 H 1 1.668 0.030 . 2 . . . . 12 PRO HG3 . 10210 1 52 . 1 1 12 12 PRO CD C 13 50.234 0.300 . 1 . . . . 12 PRO CD . 10210 1 53 . 1 1 12 12 PRO HD2 H 1 3.689 0.030 . 2 . . . . 12 PRO HD2 . 10210 1 54 . 1 1 12 12 PRO HD3 H 1 3.599 0.030 . 2 . . . . 12 PRO HD3 . 10210 1 55 . 1 1 12 12 PRO C C 13 176.363 0.300 . 1 . . . . 12 PRO C . 10210 1 56 . 1 1 13 13 TYR N N 15 118.698 0.300 . 1 . . . . 13 TYR N . 10210 1 57 . 1 1 13 13 TYR H H 1 7.867 0.030 . 1 . . . . 13 TYR H . 10210 1 58 . 1 1 13 13 TYR CA C 13 57.667 0.300 . 1 . . . . 13 TYR CA . 10210 1 59 . 1 1 13 13 TYR HA H 1 4.544 0.030 . 1 . . . . 13 TYR HA . 10210 1 60 . 1 1 13 13 TYR CB C 13 38.526 0.300 . 1 . . . . 13 TYR CB . 10210 1 61 . 1 1 13 13 TYR HB2 H 1 2.886 0.030 . 2 . . . . 13 TYR HB2 . 10210 1 62 . 1 1 13 13 TYR HB3 H 1 2.848 0.030 . 2 . . . . 13 TYR HB3 . 10210 1 63 . 1 1 13 13 TYR CD1 C 13 133.416 0.300 . 1 . . . . 13 TYR CD1 . 10210 1 64 . 1 1 13 13 TYR HD1 H 1 6.992 0.030 . 1 . . . . 13 TYR HD1 . 10210 1 65 . 1 1 13 13 TYR CD2 C 13 133.416 0.300 . 1 . . . . 13 TYR CD2 . 10210 1 66 . 1 1 13 13 TYR HD2 H 1 6.992 0.030 . 1 . . . . 13 TYR HD2 . 10210 1 67 . 1 1 13 13 TYR CE1 C 13 118.289 0.300 . 1 . . . . 13 TYR CE1 . 10210 1 68 . 1 1 13 13 TYR HE1 H 1 6.891 0.030 . 1 . . . . 13 TYR HE1 . 10210 1 69 . 1 1 13 13 TYR CE2 C 13 118.289 0.300 . 1 . . . . 13 TYR CE2 . 10210 1 70 . 1 1 13 13 TYR HE2 H 1 6.891 0.030 . 1 . . . . 13 TYR HE2 . 10210 1 71 . 1 1 13 13 TYR C C 13 174.411 0.300 . 1 . . . . 13 TYR C . 10210 1 72 . 1 1 14 14 LYS N N 15 124.941 0.300 . 1 . . . . 14 LYS N . 10210 1 73 . 1 1 14 14 LYS H H 1 8.654 0.030 . 1 . . . . 14 LYS H . 10210 1 74 . 1 1 14 14 LYS CA C 13 54.893 0.300 . 1 . . . . 14 LYS CA . 10210 1 75 . 1 1 14 14 LYS HA H 1 4.963 0.030 . 1 . . . . 14 LYS HA . 10210 1 76 . 1 1 14 14 LYS CB C 13 35.303 0.300 . 1 . . . . 14 LYS CB . 10210 1 77 . 1 1 14 14 LYS HB2 H 1 1.643 0.030 . 2 . . . . 14 LYS HB2 . 10210 1 78 . 1 1 14 14 LYS HB3 H 1 1.560 0.030 . 2 . . . . 14 LYS HB3 . 10210 1 79 . 1 1 14 14 LYS CG C 13 24.466 0.300 . 1 . . . . 14 LYS CG . 10210 1 80 . 1 1 14 14 LYS HG2 H 1 1.176 0.030 . 1 . . . . 14 LYS HG2 . 10210 1 81 . 1 1 14 14 LYS HG3 H 1 1.176 0.030 . 1 . . . . 14 LYS HG3 . 10210 1 82 . 1 1 14 14 LYS CD C 13 29.330 0.300 . 1 . . . . 14 LYS CD . 10210 1 83 . 1 1 14 14 LYS HD2 H 1 1.548 0.030 . 1 . . . . 14 LYS HD2 . 10210 1 84 . 1 1 14 14 LYS HD3 H 1 1.548 0.030 . 1 . . . . 14 LYS HD3 . 10210 1 85 . 1 1 14 14 LYS CE C 13 41.772 0.300 . 1 . . . . 14 LYS CE . 10210 1 86 . 1 1 14 14 LYS HE2 H 1 2.876 0.030 . 1 . . . . 14 LYS HE2 . 10210 1 87 . 1 1 14 14 LYS HE3 H 1 2.876 0.030 . 1 . . . . 14 LYS HE3 . 10210 1 88 . 1 1 14 14 LYS C C 13 175.030 0.300 . 1 . . . . 14 LYS C . 10210 1 89 . 1 1 15 15 CYS N N 15 126.764 0.300 . 1 . . . . 15 CYS N . 10210 1 90 . 1 1 15 15 CYS H H 1 9.018 0.030 . 1 . . . . 15 CYS H . 10210 1 91 . 1 1 15 15 CYS CA C 13 59.556 0.300 . 1 . . . . 15 CYS CA . 10210 1 92 . 1 1 15 15 CYS HA H 1 4.477 0.030 . 1 . . . . 15 CYS HA . 10210 1 93 . 1 1 15 15 CYS CB C 13 29.711 0.300 . 1 . . . . 15 CYS CB . 10210 1 94 . 1 1 15 15 CYS HB2 H 1 3.305 0.030 . 2 . . . . 15 CYS HB2 . 10210 1 95 . 1 1 15 15 CYS HB3 H 1 2.804 0.030 . 2 . . . . 15 CYS HB3 . 10210 1 96 . 1 1 15 15 CYS C C 13 176.438 0.300 . 1 . . . . 15 CYS C . 10210 1 97 . 1 1 16 16 ASP N N 15 130.452 0.300 . 1 . . . . 16 ASP N . 10210 1 98 . 1 1 16 16 ASP H H 1 9.146 0.030 . 1 . . . . 16 ASP H . 10210 1 99 . 1 1 16 16 ASP CA C 13 56.059 0.300 . 1 . . . . 16 ASP CA . 10210 1 100 . 1 1 16 16 ASP HA H 1 4.418 0.030 . 1 . . . . 16 ASP HA . 10210 1 101 . 1 1 16 16 ASP CB C 13 40.594 0.300 . 1 . . . . 16 ASP CB . 10210 1 102 . 1 1 16 16 ASP HB2 H 1 2.739 0.030 . 1 . . . . 16 ASP HB2 . 10210 1 103 . 1 1 16 16 ASP HB3 H 1 2.739 0.030 . 1 . . . . 16 ASP HB3 . 10210 1 104 . 1 1 16 16 ASP C C 13 175.426 0.300 . 1 . . . . 16 ASP C . 10210 1 105 . 1 1 17 17 VAL N N 15 120.987 0.300 . 1 . . . . 17 VAL N . 10210 1 106 . 1 1 17 17 VAL H H 1 8.652 0.030 . 1 . . . . 17 VAL H . 10210 1 107 . 1 1 17 17 VAL CA C 13 64.823 0.300 . 1 . . . . 17 VAL CA . 10210 1 108 . 1 1 17 17 VAL HA H 1 3.696 0.030 . 1 . . . . 17 VAL HA . 10210 1 109 . 1 1 17 17 VAL CB C 13 33.002 0.300 . 1 . . . . 17 VAL CB . 10210 1 110 . 1 1 17 17 VAL HB H 1 1.094 0.030 . 1 . . . . 17 VAL HB . 10210 1 111 . 1 1 17 17 VAL CG1 C 13 21.233 0.300 . 2 . . . . 17 VAL CG1 . 10210 1 112 . 1 1 17 17 VAL HG11 H 1 0.733 0.030 . 1 . . . . 17 VAL HG1 . 10210 1 113 . 1 1 17 17 VAL HG12 H 1 0.733 0.030 . 1 . . . . 17 VAL HG1 . 10210 1 114 . 1 1 17 17 VAL HG13 H 1 0.733 0.030 . 1 . . . . 17 VAL HG1 . 10210 1 115 . 1 1 17 17 VAL CG2 C 13 20.233 0.300 . 2 . . . . 17 VAL CG2 . 10210 1 116 . 1 1 17 17 VAL HG21 H 1 0.258 0.030 . 1 . . . . 17 VAL HG2 . 10210 1 117 . 1 1 17 17 VAL HG22 H 1 0.258 0.030 . 1 . . . . 17 VAL HG2 . 10210 1 118 . 1 1 17 17 VAL HG23 H 1 0.258 0.030 . 1 . . . . 17 VAL HG2 . 10210 1 119 . 1 1 17 17 VAL C C 13 176.458 0.300 . 1 . . . . 17 VAL C . 10210 1 120 . 1 1 18 18 CYS N N 15 115.671 0.300 . 1 . . . . 18 CYS N . 10210 1 121 . 1 1 18 18 CYS H H 1 7.886 0.030 . 1 . . . . 18 CYS H . 10210 1 122 . 1 1 18 18 CYS CA C 13 57.837 0.300 . 1 . . . . 18 CYS CA . 10210 1 123 . 1 1 18 18 CYS HA H 1 4.894 0.030 . 1 . . . . 18 CYS HA . 10210 1 124 . 1 1 18 18 CYS CB C 13 31.838 0.300 . 1 . . . . 18 CYS CB . 10210 1 125 . 1 1 18 18 CYS HB2 H 1 3.394 0.030 . 2 . . . . 18 CYS HB2 . 10210 1 126 . 1 1 18 18 CYS HB3 H 1 2.748 0.030 . 2 . . . . 18 CYS HB3 . 10210 1 127 . 1 1 18 18 CYS C C 13 175.672 0.300 . 1 . . . . 18 CYS C . 10210 1 128 . 1 1 19 19 HIS N N 15 116.359 0.300 . 1 . . . . 19 HIS N . 10210 1 129 . 1 1 19 19 HIS H H 1 7.660 0.030 . 1 . . . . 19 HIS H . 10210 1 130 . 1 1 19 19 HIS CA C 13 57.841 0.300 . 1 . . . . 19 HIS CA . 10210 1 131 . 1 1 19 19 HIS HA H 1 4.496 0.030 . 1 . . . . 19 HIS HA . 10210 1 132 . 1 1 19 19 HIS CB C 13 27.348 0.300 . 1 . . . . 19 HIS CB . 10210 1 133 . 1 1 19 19 HIS HB2 H 1 3.269 0.030 . 2 . . . . 19 HIS HB2 . 10210 1 134 . 1 1 19 19 HIS HB3 H 1 3.511 0.030 . 2 . . . . 19 HIS HB3 . 10210 1 135 . 1 1 19 19 HIS CD2 C 13 118.602 0.300 . 1 . . . . 19 HIS CD2 . 10210 1 136 . 1 1 19 19 HIS HD2 H 1 6.930 0.030 . 1 . . . . 19 HIS HD2 . 10210 1 137 . 1 1 19 19 HIS CE1 C 13 137.930 0.300 . 1 . . . . 19 HIS CE1 . 10210 1 138 . 1 1 19 19 HIS HE1 H 1 7.931 0.030 . 1 . . . . 19 HIS HE1 . 10210 1 139 . 1 1 19 19 HIS C C 13 174.238 0.300 . 1 . . . . 19 HIS C . 10210 1 140 . 1 1 20 20 LYS N N 15 122.372 0.300 . 1 . . . . 20 LYS N . 10210 1 141 . 1 1 20 20 LYS H H 1 7.838 0.030 . 1 . . . . 20 LYS H . 10210 1 142 . 1 1 20 20 LYS CA C 13 57.897 0.300 . 1 . . . . 20 LYS CA . 10210 1 143 . 1 1 20 20 LYS HA H 1 4.131 0.030 . 1 . . . . 20 LYS HA . 10210 1 144 . 1 1 20 20 LYS CB C 13 34.042 0.300 . 1 . . . . 20 LYS CB . 10210 1 145 . 1 1 20 20 LYS HB2 H 1 1.419 0.030 . 2 . . . . 20 LYS HB2 . 10210 1 146 . 1 1 20 20 LYS HB3 H 1 1.251 0.030 . 2 . . . . 20 LYS HB3 . 10210 1 147 . 1 1 20 20 LYS CG C 13 26.293 0.300 . 1 . . . . 20 LYS CG . 10210 1 148 . 1 1 20 20 LYS HG2 H 1 1.461 0.030 . 2 . . . . 20 LYS HG2 . 10210 1 149 . 1 1 20 20 LYS HG3 H 1 1.107 0.030 . 2 . . . . 20 LYS HG3 . 10210 1 150 . 1 1 20 20 LYS CD C 13 29.437 0.300 . 1 . . . . 20 LYS CD . 10210 1 151 . 1 1 20 20 LYS HD2 H 1 1.470 0.030 . 2 . . . . 20 LYS HD2 . 10210 1 152 . 1 1 20 20 LYS HD3 H 1 1.537 0.030 . 2 . . . . 20 LYS HD3 . 10210 1 153 . 1 1 20 20 LYS CE C 13 42.232 0.300 . 1 . . . . 20 LYS CE . 10210 1 154 . 1 1 20 20 LYS HE2 H 1 2.973 0.030 . 2 . . . . 20 LYS HE2 . 10210 1 155 . 1 1 20 20 LYS HE3 H 1 2.932 0.030 . 2 . . . . 20 LYS HE3 . 10210 1 156 . 1 1 20 20 LYS C C 13 174.512 0.300 . 1 . . . . 20 LYS C . 10210 1 157 . 1 1 21 21 SER N N 15 115.643 0.300 . 1 . . . . 21 SER N . 10210 1 158 . 1 1 21 21 SER H H 1 7.862 0.030 . 1 . . . . 21 SER H . 10210 1 159 . 1 1 21 21 SER CA C 13 56.970 0.300 . 1 . . . . 21 SER CA . 10210 1 160 . 1 1 21 21 SER HA H 1 5.289 0.030 . 1 . . . . 21 SER HA . 10210 1 161 . 1 1 21 21 SER CB C 13 66.008 0.300 . 1 . . . . 21 SER CB . 10210 1 162 . 1 1 21 21 SER HB2 H 1 3.608 0.030 . 1 . . . . 21 SER HB2 . 10210 1 163 . 1 1 21 21 SER HB3 H 1 3.608 0.030 . 1 . . . . 21 SER HB3 . 10210 1 164 . 1 1 21 21 SER C C 13 173.011 0.300 . 1 . . . . 21 SER C . 10210 1 165 . 1 1 22 22 PHE N N 15 117.902 0.300 . 1 . . . . 22 PHE N . 10210 1 166 . 1 1 22 22 PHE H H 1 8.876 0.030 . 1 . . . . 22 PHE H . 10210 1 167 . 1 1 22 22 PHE CA C 13 57.348 0.300 . 1 . . . . 22 PHE CA . 10210 1 168 . 1 1 22 22 PHE HA H 1 4.673 0.030 . 1 . . . . 22 PHE HA . 10210 1 169 . 1 1 22 22 PHE CB C 13 43.619 0.300 . 1 . . . . 22 PHE CB . 10210 1 170 . 1 1 22 22 PHE HB2 H 1 3.402 0.030 . 2 . . . . 22 PHE HB2 . 10210 1 171 . 1 1 22 22 PHE HB3 H 1 2.586 0.030 . 2 . . . . 22 PHE HB3 . 10210 1 172 . 1 1 22 22 PHE CD1 C 13 132.286 0.300 . 1 . . . . 22 PHE CD1 . 10210 1 173 . 1 1 22 22 PHE HD1 H 1 7.183 0.030 . 1 . . . . 22 PHE HD1 . 10210 1 174 . 1 1 22 22 PHE CD2 C 13 132.286 0.300 . 1 . . . . 22 PHE CD2 . 10210 1 175 . 1 1 22 22 PHE HD2 H 1 7.183 0.030 . 1 . . . . 22 PHE HD2 . 10210 1 176 . 1 1 22 22 PHE CE1 C 13 130.653 0.300 . 1 . . . . 22 PHE CE1 . 10210 1 177 . 1 1 22 22 PHE HE1 H 1 6.806 0.030 . 1 . . . . 22 PHE HE1 . 10210 1 178 . 1 1 22 22 PHE CE2 C 13 130.653 0.300 . 1 . . . . 22 PHE CE2 . 10210 1 179 . 1 1 22 22 PHE HE2 H 1 6.806 0.030 . 1 . . . . 22 PHE HE2 . 10210 1 180 . 1 1 22 22 PHE CZ C 13 128.547 0.300 . 1 . . . . 22 PHE CZ . 10210 1 181 . 1 1 22 22 PHE HZ H 1 6.132 0.030 . 1 . . . . 22 PHE HZ . 10210 1 182 . 1 1 22 22 PHE C C 13 174.751 0.300 . 1 . . . . 22 PHE C . 10210 1 183 . 1 1 23 23 ARG CA C 13 58.414 0.300 . 1 . . . . 23 ARG CA . 10210 1 184 . 1 1 23 23 ARG HA H 1 4.207 0.030 . 1 . . . . 23 ARG HA . 10210 1 185 . 1 1 23 23 ARG CB C 13 31.078 0.300 . 1 . . . . 23 ARG CB . 10210 1 186 . 1 1 23 23 ARG HB2 H 1 1.568 0.030 . 2 . . . . 23 ARG HB2 . 10210 1 187 . 1 1 23 23 ARG HB3 H 1 1.405 0.030 . 2 . . . . 23 ARG HB3 . 10210 1 188 . 1 1 23 23 ARG CG C 13 27.220 0.300 . 1 . . . . 23 ARG CG . 10210 1 189 . 1 1 23 23 ARG HG2 H 1 1.331 0.030 . 2 . . . . 23 ARG HG2 . 10210 1 190 . 1 1 23 23 ARG HG3 H 1 1.061 0.030 . 2 . . . . 23 ARG HG3 . 10210 1 191 . 1 1 23 23 ARG CD C 13 43.461 0.300 . 1 . . . . 23 ARG CD . 10210 1 192 . 1 1 23 23 ARG HD2 H 1 3.055 0.030 . 2 . . . . 23 ARG HD2 . 10210 1 193 . 1 1 23 23 ARG HD3 H 1 3.001 0.030 . 2 . . . . 23 ARG HD3 . 10210 1 194 . 1 1 23 23 ARG C C 13 175.172 0.300 . 1 . . . . 23 ARG C . 10210 1 195 . 1 1 24 24 TYR N N 15 112.481 0.300 . 1 . . . . 24 TYR N . 10210 1 196 . 1 1 24 24 TYR H H 1 7.392 0.030 . 1 . . . . 24 TYR H . 10210 1 197 . 1 1 24 24 TYR CA C 13 55.424 0.300 . 1 . . . . 24 TYR CA . 10210 1 198 . 1 1 24 24 TYR HA H 1 4.990 0.030 . 1 . . . . 24 TYR HA . 10210 1 199 . 1 1 24 24 TYR CB C 13 41.056 0.300 . 1 . . . . 24 TYR CB . 10210 1 200 . 1 1 24 24 TYR HB2 H 1 3.275 0.030 . 2 . . . . 24 TYR HB2 . 10210 1 201 . 1 1 24 24 TYR HB3 H 1 2.741 0.030 . 2 . . . . 24 TYR HB3 . 10210 1 202 . 1 1 24 24 TYR CD1 C 13 133.634 0.300 . 1 . . . . 24 TYR CD1 . 10210 1 203 . 1 1 24 24 TYR HD1 H 1 7.266 0.030 . 1 . . . . 24 TYR HD1 . 10210 1 204 . 1 1 24 24 TYR CD2 C 13 133.634 0.300 . 1 . . . . 24 TYR CD2 . 10210 1 205 . 1 1 24 24 TYR HD2 H 1 7.266 0.030 . 1 . . . . 24 TYR HD2 . 10210 1 206 . 1 1 24 24 TYR CE1 C 13 118.052 0.300 . 1 . . . . 24 TYR CE1 . 10210 1 207 . 1 1 24 24 TYR HE1 H 1 6.875 0.030 . 1 . . . . 24 TYR HE1 . 10210 1 208 . 1 1 24 24 TYR CE2 C 13 118.052 0.300 . 1 . . . . 24 TYR CE2 . 10210 1 209 . 1 1 24 24 TYR HE2 H 1 6.875 0.030 . 1 . . . . 24 TYR HE2 . 10210 1 210 . 1 1 24 24 TYR C C 13 176.547 0.300 . 1 . . . . 24 TYR C . 10210 1 211 . 1 1 25 25 GLY N N 15 113.229 0.300 . 1 . . . . 25 GLY N . 10210 1 212 . 1 1 25 25 GLY H H 1 8.444 0.030 . 1 . . . . 25 GLY H . 10210 1 213 . 1 1 25 25 GLY CA C 13 46.807 0.300 . 1 . . . . 25 GLY CA . 10210 1 214 . 1 1 25 25 GLY HA2 H 1 3.339 0.030 . 2 . . . . 25 GLY HA2 . 10210 1 215 . 1 1 25 25 GLY HA3 H 1 2.763 0.030 . 2 . . . . 25 GLY HA3 . 10210 1 216 . 1 1 25 25 GLY C C 13 176.648 0.300 . 1 . . . . 25 GLY C . 10210 1 217 . 1 1 26 26 SER CA C 13 60.443 0.300 . 1 . . . . 26 SER CA . 10210 1 218 . 1 1 26 26 SER HA H 1 4.070 0.030 . 1 . . . . 26 SER HA . 10210 1 219 . 1 1 26 26 SER CB C 13 61.509 0.300 . 1 . . . . 26 SER CB . 10210 1 220 . 1 1 26 26 SER HB2 H 1 3.827 0.030 . 1 . . . . 26 SER HB2 . 10210 1 221 . 1 1 26 26 SER HB3 H 1 3.827 0.030 . 1 . . . . 26 SER HB3 . 10210 1 222 . 1 1 27 27 SER N N 15 117.119 0.300 . 1 . . . . 27 SER N . 10210 1 223 . 1 1 27 27 SER H H 1 6.975 0.030 . 1 . . . . 27 SER H . 10210 1 224 . 1 1 27 27 SER CA C 13 60.612 0.300 . 1 . . . . 27 SER CA . 10210 1 225 . 1 1 27 27 SER HA H 1 4.193 0.030 . 1 . . . . 27 SER HA . 10210 1 226 . 1 1 27 27 SER CB C 13 62.516 0.300 . 1 . . . . 27 SER CB . 10210 1 227 . 1 1 27 27 SER HB2 H 1 4.079 0.030 . 2 . . . . 27 SER HB2 . 10210 1 228 . 1 1 27 27 SER HB3 H 1 3.950 0.030 . 2 . . . . 27 SER HB3 . 10210 1 229 . 1 1 28 28 LEU N N 15 123.770 0.300 . 1 . . . . 28 LEU N . 10210 1 230 . 1 1 28 28 LEU H H 1 7.044 0.030 . 1 . . . . 28 LEU H . 10210 1 231 . 1 1 28 28 LEU CA C 13 57.811 0.300 . 1 . . . . 28 LEU CA . 10210 1 232 . 1 1 28 28 LEU HA H 1 3.243 0.030 . 1 . . . . 28 LEU HA . 10210 1 233 . 1 1 28 28 LEU CB C 13 40.095 0.300 . 1 . . . . 28 LEU CB . 10210 1 234 . 1 1 28 28 LEU HB2 H 1 2.019 0.030 . 2 . . . . 28 LEU HB2 . 10210 1 235 . 1 1 28 28 LEU HB3 H 1 1.154 0.030 . 2 . . . . 28 LEU HB3 . 10210 1 236 . 1 1 28 28 LEU CG C 13 27.425 0.300 . 1 . . . . 28 LEU CG . 10210 1 237 . 1 1 28 28 LEU HG H 1 1.472 0.030 . 1 . . . . 28 LEU HG . 10210 1 238 . 1 1 28 28 LEU CD1 C 13 22.946 0.300 . 2 . . . . 28 LEU CD1 . 10210 1 239 . 1 1 28 28 LEU HD11 H 1 0.953 0.030 . 1 . . . . 28 LEU HD1 . 10210 1 240 . 1 1 28 28 LEU HD12 H 1 0.953 0.030 . 1 . . . . 28 LEU HD1 . 10210 1 241 . 1 1 28 28 LEU HD13 H 1 0.953 0.030 . 1 . . . . 28 LEU HD1 . 10210 1 242 . 1 1 28 28 LEU CD2 C 13 26.322 0.300 . 2 . . . . 28 LEU CD2 . 10210 1 243 . 1 1 28 28 LEU HD21 H 1 1.012 0.030 . 1 . . . . 28 LEU HD2 . 10210 1 244 . 1 1 28 28 LEU HD22 H 1 1.012 0.030 . 1 . . . . 28 LEU HD2 . 10210 1 245 . 1 1 28 28 LEU HD23 H 1 1.012 0.030 . 1 . . . . 28 LEU HD2 . 10210 1 246 . 1 1 28 28 LEU C C 13 177.169 0.300 . 1 . . . . 28 LEU C . 10210 1 247 . 1 1 29 29 THR N N 15 116.170 0.300 . 1 . . . . 29 THR N . 10210 1 248 . 1 1 29 29 THR H H 1 8.074 0.030 . 1 . . . . 29 THR H . 10210 1 249 . 1 1 29 29 THR CA C 13 66.661 0.300 . 1 . . . . 29 THR CA . 10210 1 250 . 1 1 29 29 THR HA H 1 3.920 0.030 . 1 . . . . 29 THR HA . 10210 1 251 . 1 1 29 29 THR CB C 13 68.519 0.300 . 1 . . . . 29 THR CB . 10210 1 252 . 1 1 29 29 THR HB H 1 4.095 0.030 . 1 . . . . 29 THR HB . 10210 1 253 . 1 1 29 29 THR CG2 C 13 22.014 0.300 . 1 . . . . 29 THR CG2 . 10210 1 254 . 1 1 29 29 THR HG21 H 1 1.154 0.030 . 1 . . . . 29 THR HG2 . 10210 1 255 . 1 1 29 29 THR HG22 H 1 1.154 0.030 . 1 . . . . 29 THR HG2 . 10210 1 256 . 1 1 29 29 THR HG23 H 1 1.154 0.030 . 1 . . . . 29 THR HG2 . 10210 1 257 . 1 1 29 29 THR C C 13 176.819 0.300 . 1 . . . . 29 THR C . 10210 1 258 . 1 1 30 30 VAL N N 15 119.670 0.300 . 1 . . . . 30 VAL N . 10210 1 259 . 1 1 30 30 VAL H H 1 7.348 0.030 . 1 . . . . 30 VAL H . 10210 1 260 . 1 1 30 30 VAL CA C 13 66.447 0.300 . 1 . . . . 30 VAL CA . 10210 1 261 . 1 1 30 30 VAL HA H 1 3.514 0.030 . 1 . . . . 30 VAL HA . 10210 1 262 . 1 1 30 30 VAL CB C 13 32.129 0.300 . 1 . . . . 30 VAL CB . 10210 1 263 . 1 1 30 30 VAL HB H 1 1.911 0.030 . 1 . . . . 30 VAL HB . 10210 1 264 . 1 1 30 30 VAL CG1 C 13 21.089 0.300 . 2 . . . . 30 VAL CG1 . 10210 1 265 . 1 1 30 30 VAL HG11 H 1 0.895 0.030 . 1 . . . . 30 VAL HG1 . 10210 1 266 . 1 1 30 30 VAL HG12 H 1 0.895 0.030 . 1 . . . . 30 VAL HG1 . 10210 1 267 . 1 1 30 30 VAL HG13 H 1 0.895 0.030 . 1 . . . . 30 VAL HG1 . 10210 1 268 . 1 1 30 30 VAL CG2 C 13 22.499 0.300 . 2 . . . . 30 VAL CG2 . 10210 1 269 . 1 1 30 30 VAL HG21 H 1 0.994 0.030 . 1 . . . . 30 VAL HG2 . 10210 1 270 . 1 1 30 30 VAL HG22 H 1 0.994 0.030 . 1 . . . . 30 VAL HG2 . 10210 1 271 . 1 1 30 30 VAL HG23 H 1 0.994 0.030 . 1 . . . . 30 VAL HG2 . 10210 1 272 . 1 1 30 30 VAL C C 13 178.591 0.300 . 1 . . . . 30 VAL C . 10210 1 273 . 1 1 31 31 HIS N N 15 120.141 0.300 . 1 . . . . 31 HIS N . 10210 1 274 . 1 1 31 31 HIS H H 1 7.568 0.030 . 1 . . . . 31 HIS H . 10210 1 275 . 1 1 31 31 HIS CA C 13 59.358 0.300 . 1 . . . . 31 HIS CA . 10210 1 276 . 1 1 31 31 HIS HA H 1 4.126 0.030 . 1 . . . . 31 HIS HA . 10210 1 277 . 1 1 31 31 HIS CB C 13 28.376 0.300 . 1 . . . . 31 HIS CB . 10210 1 278 . 1 1 31 31 HIS HB2 H 1 3.093 0.030 . 2 . . . . 31 HIS HB2 . 10210 1 279 . 1 1 31 31 HIS HB3 H 1 2.835 0.030 . 2 . . . . 31 HIS HB3 . 10210 1 280 . 1 1 31 31 HIS CD2 C 13 126.814 0.300 . 1 . . . . 31 HIS CD2 . 10210 1 281 . 1 1 31 31 HIS HD2 H 1 6.844 0.030 . 1 . . . . 31 HIS HD2 . 10210 1 282 . 1 1 31 31 HIS CE1 C 13 139.600 0.300 . 1 . . . . 31 HIS CE1 . 10210 1 283 . 1 1 31 31 HIS HE1 H 1 8.034 0.030 . 1 . . . . 31 HIS HE1 . 10210 1 284 . 1 1 31 31 HIS C C 13 176.177 0.300 . 1 . . . . 31 HIS C . 10210 1 285 . 1 1 32 32 GLN N N 15 114.511 0.300 . 1 . . . . 32 GLN N . 10210 1 286 . 1 1 32 32 GLN H H 1 8.405 0.030 . 1 . . . . 32 GLN H . 10210 1 287 . 1 1 32 32 GLN CA C 13 59.401 0.300 . 1 . . . . 32 GLN CA . 10210 1 288 . 1 1 32 32 GLN HA H 1 3.641 0.030 . 1 . . . . 32 GLN HA . 10210 1 289 . 1 1 32 32 GLN CB C 13 28.353 0.300 . 1 . . . . 32 GLN CB . 10210 1 290 . 1 1 32 32 GLN HB2 H 1 2.310 0.030 . 2 . . . . 32 GLN HB2 . 10210 1 291 . 1 1 32 32 GLN HB3 H 1 2.170 0.030 . 2 . . . . 32 GLN HB3 . 10210 1 292 . 1 1 32 32 GLN CG C 13 35.401 0.300 . 1 . . . . 32 GLN CG . 10210 1 293 . 1 1 32 32 GLN HG2 H 1 2.801 0.030 . 2 . . . . 32 GLN HG2 . 10210 1 294 . 1 1 32 32 GLN HG3 H 1 2.741 0.030 . 2 . . . . 32 GLN HG3 . 10210 1 295 . 1 1 32 32 GLN NE2 N 15 112.569 0.300 . 1 . . . . 32 GLN NE2 . 10210 1 296 . 1 1 32 32 GLN HE21 H 1 7.583 0.030 . 2 . . . . 32 GLN HE21 . 10210 1 297 . 1 1 32 32 GLN HE22 H 1 7.043 0.030 . 2 . . . . 32 GLN HE22 . 10210 1 298 . 1 1 32 32 GLN C C 13 177.404 0.300 . 1 . . . . 32 GLN C . 10210 1 299 . 1 1 33 33 ARG N N 15 117.508 0.300 . 1 . . . . 33 ARG N . 10210 1 300 . 1 1 33 33 ARG H H 1 7.166 0.030 . 1 . . . . 33 ARG H . 10210 1 301 . 1 1 33 33 ARG CA C 13 58.468 0.300 . 1 . . . . 33 ARG CA . 10210 1 302 . 1 1 33 33 ARG HA H 1 4.118 0.030 . 1 . . . . 33 ARG HA . 10210 1 303 . 1 1 33 33 ARG CB C 13 30.021 0.300 . 1 . . . . 33 ARG CB . 10210 1 304 . 1 1 33 33 ARG HB2 H 1 1.881 0.030 . 2 . . . . 33 ARG HB2 . 10210 1 305 . 1 1 33 33 ARG HB3 H 1 1.756 0.030 . 2 . . . . 33 ARG HB3 . 10210 1 306 . 1 1 33 33 ARG CG C 13 27.705 0.300 . 1 . . . . 33 ARG CG . 10210 1 307 . 1 1 33 33 ARG HG2 H 1 1.860 0.030 . 2 . . . . 33 ARG HG2 . 10210 1 308 . 1 1 33 33 ARG HG3 H 1 1.641 0.030 . 2 . . . . 33 ARG HG3 . 10210 1 309 . 1 1 33 33 ARG CD C 13 43.727 0.300 . 1 . . . . 33 ARG CD . 10210 1 310 . 1 1 33 33 ARG HD2 H 1 3.167 0.030 . 1 . . . . 33 ARG HD2 . 10210 1 311 . 1 1 33 33 ARG HD3 H 1 3.167 0.030 . 1 . . . . 33 ARG HD3 . 10210 1 312 . 1 1 33 33 ARG C C 13 178.686 0.300 . 1 . . . . 33 ARG C . 10210 1 313 . 1 1 34 34 ILE N N 15 115.983 0.300 . 1 . . . . 34 ILE N . 10210 1 314 . 1 1 34 34 ILE H H 1 7.823 0.030 . 1 . . . . 34 ILE H . 10210 1 315 . 1 1 34 34 ILE CA C 13 63.142 0.300 . 1 . . . . 34 ILE CA . 10210 1 316 . 1 1 34 34 ILE HA H 1 3.945 0.030 . 1 . . . . 34 ILE HA . 10210 1 317 . 1 1 34 34 ILE CB C 13 37.712 0.300 . 1 . . . . 34 ILE CB . 10210 1 318 . 1 1 34 34 ILE HB H 1 1.616 0.030 . 1 . . . . 34 ILE HB . 10210 1 319 . 1 1 34 34 ILE CG1 C 13 26.408 0.300 . 1 . . . . 34 ILE CG1 . 10210 1 320 . 1 1 34 34 ILE HG12 H 1 0.867 0.030 . 2 . . . . 34 ILE HG12 . 10210 1 321 . 1 1 34 34 ILE HG13 H 1 0.668 0.030 . 2 . . . . 34 ILE HG13 . 10210 1 322 . 1 1 34 34 ILE CG2 C 13 16.291 0.300 . 1 . . . . 34 ILE CG2 . 10210 1 323 . 1 1 34 34 ILE HG21 H 1 0.553 0.030 . 1 . . . . 34 ILE HG2 . 10210 1 324 . 1 1 34 34 ILE HG22 H 1 0.553 0.030 . 1 . . . . 34 ILE HG2 . 10210 1 325 . 1 1 34 34 ILE HG23 H 1 0.553 0.030 . 1 . . . . 34 ILE HG2 . 10210 1 326 . 1 1 34 34 ILE CD1 C 13 14.455 0.300 . 1 . . . . 34 ILE CD1 . 10210 1 327 . 1 1 34 34 ILE HD11 H 1 0.671 0.030 . 1 . . . . 34 ILE HD1 . 10210 1 328 . 1 1 34 34 ILE HD12 H 1 0.671 0.030 . 1 . . . . 34 ILE HD1 . 10210 1 329 . 1 1 34 34 ILE HD13 H 1 0.671 0.030 . 1 . . . . 34 ILE HD1 . 10210 1 330 . 1 1 34 34 ILE C C 13 177.354 0.300 . 1 . . . . 34 ILE C . 10210 1 331 . 1 1 35 35 HIS N N 15 117.112 0.300 . 1 . . . . 35 HIS N . 10210 1 332 . 1 1 35 35 HIS H H 1 7.179 0.030 . 1 . . . . 35 HIS H . 10210 1 333 . 1 1 35 35 HIS CA C 13 54.859 0.300 . 1 . . . . 35 HIS CA . 10210 1 334 . 1 1 35 35 HIS HA H 1 4.905 0.030 . 1 . . . . 35 HIS HA . 10210 1 335 . 1 1 35 35 HIS CB C 13 28.376 0.300 . 1 . . . . 35 HIS CB . 10210 1 336 . 1 1 35 35 HIS HB2 H 1 3.358 0.030 . 2 . . . . 35 HIS HB2 . 10210 1 337 . 1 1 35 35 HIS HB3 H 1 3.291 0.030 . 2 . . . . 35 HIS HB3 . 10210 1 338 . 1 1 35 35 HIS CD2 C 13 127.656 0.300 . 1 . . . . 35 HIS CD2 . 10210 1 339 . 1 1 35 35 HIS HD2 H 1 6.724 0.030 . 1 . . . . 35 HIS HD2 . 10210 1 340 . 1 1 35 35 HIS CE1 C 13 140.261 0.300 . 1 . . . . 35 HIS CE1 . 10210 1 341 . 1 1 35 35 HIS HE1 H 1 8.077 0.030 . 1 . . . . 35 HIS HE1 . 10210 1 342 . 1 1 35 35 HIS C C 13 175.680 0.300 . 1 . . . . 35 HIS C . 10210 1 343 . 1 1 36 36 THR N N 15 112.051 0.300 . 1 . . . . 36 THR N . 10210 1 344 . 1 1 36 36 THR H H 1 7.737 0.030 . 1 . . . . 36 THR H . 10210 1 345 . 1 1 36 36 THR CA C 13 62.670 0.300 . 1 . . . . 36 THR CA . 10210 1 346 . 1 1 36 36 THR HA H 1 4.312 0.030 . 1 . . . . 36 THR HA . 10210 1 347 . 1 1 36 36 THR CB C 13 69.743 0.300 . 1 . . . . 36 THR CB . 10210 1 348 . 1 1 36 36 THR HB H 1 4.296 0.030 . 1 . . . . 36 THR HB . 10210 1 349 . 1 1 36 36 THR CG2 C 13 21.547 0.300 . 1 . . . . 36 THR CG2 . 10210 1 350 . 1 1 36 36 THR HG21 H 1 1.221 0.030 . 1 . . . . 36 THR HG2 . 10210 1 351 . 1 1 36 36 THR HG22 H 1 1.221 0.030 . 1 . . . . 36 THR HG2 . 10210 1 352 . 1 1 36 36 THR HG23 H 1 1.221 0.030 . 1 . . . . 36 THR HG2 . 10210 1 353 . 1 1 36 36 THR C C 13 175.483 0.300 . 1 . . . . 36 THR C . 10210 1 354 . 1 1 37 37 GLY N N 15 110.845 0.300 . 1 . . . . 37 GLY N . 10210 1 355 . 1 1 37 37 GLY H H 1 8.289 0.030 . 1 . . . . 37 GLY H . 10210 1 356 . 1 1 37 37 GLY CA C 13 45.151 0.300 . 1 . . . . 37 GLY CA . 10210 1 357 . 1 1 37 37 GLY HA2 H 1 3.988 0.030 . 2 . . . . 37 GLY HA2 . 10210 1 358 . 1 1 37 37 GLY HA3 H 1 3.945 0.030 . 2 . . . . 37 GLY HA3 . 10210 1 359 . 1 1 37 37 GLY C C 13 174.025 0.300 . 1 . . . . 37 GLY C . 10210 1 360 . 1 1 38 38 GLU N N 15 120.598 0.300 . 1 . . . . 38 GLU N . 10210 1 361 . 1 1 38 38 GLU H H 1 8.039 0.030 . 1 . . . . 38 GLU H . 10210 1 362 . 1 1 38 38 GLU CA C 13 56.442 0.300 . 1 . . . . 38 GLU CA . 10210 1 363 . 1 1 38 38 GLU HA H 1 4.220 0.030 . 1 . . . . 38 GLU HA . 10210 1 364 . 1 1 38 38 GLU CB C 13 30.525 0.300 . 1 . . . . 38 GLU CB . 10210 1 365 . 1 1 38 38 GLU HB2 H 1 1.960 0.030 . 2 . . . . 38 GLU HB2 . 10210 1 366 . 1 1 38 38 GLU HB3 H 1 1.897 0.030 . 2 . . . . 38 GLU HB3 . 10210 1 367 . 1 1 38 38 GLU CG C 13 36.276 0.300 . 1 . . . . 38 GLU CG . 10210 1 368 . 1 1 38 38 GLU HG2 H 1 2.249 0.030 . 2 . . . . 38 GLU HG2 . 10210 1 369 . 1 1 38 38 GLU HG3 H 1 2.191 0.030 . 2 . . . . 38 GLU HG3 . 10210 1 370 . 1 1 38 38 GLU C C 13 176.246 0.300 . 1 . . . . 38 GLU C . 10210 1 371 . 1 1 39 39 LYS N N 15 123.884 0.300 . 1 . . . . 39 LYS N . 10210 1 372 . 1 1 39 39 LYS H H 1 8.420 0.030 . 1 . . . . 39 LYS H . 10210 1 373 . 1 1 39 39 LYS CA C 13 54.071 0.300 . 1 . . . . 39 LYS CA . 10210 1 374 . 1 1 39 39 LYS HA H 1 4.590 0.030 . 1 . . . . 39 LYS HA . 10210 1 375 . 1 1 39 39 LYS CB C 13 32.486 0.300 . 1 . . . . 39 LYS CB . 10210 1 376 . 1 1 39 39 LYS HB2 H 1 1.790 0.030 . 2 . . . . 39 LYS HB2 . 10210 1 377 . 1 1 39 39 LYS HB3 H 1 1.702 0.030 . 2 . . . . 39 LYS HB3 . 10210 1 378 . 1 1 39 39 LYS CG C 13 24.492 0.300 . 1 . . . . 39 LYS CG . 10210 1 379 . 1 1 39 39 LYS HG2 H 1 1.438 0.030 . 1 . . . . 39 LYS HG2 . 10210 1 380 . 1 1 39 39 LYS HG3 H 1 1.438 0.030 . 1 . . . . 39 LYS HG3 . 10210 1 381 . 1 1 39 39 LYS CD C 13 29.109 0.300 . 1 . . . . 39 LYS CD . 10210 1 382 . 1 1 39 39 LYS HD2 H 1 1.664 0.030 . 1 . . . . 39 LYS HD2 . 10210 1 383 . 1 1 39 39 LYS HD3 H 1 1.664 0.030 . 1 . . . . 39 LYS HD3 . 10210 1 384 . 1 1 39 39 LYS CE C 13 42.199 0.300 . 1 . . . . 39 LYS CE . 10210 1 385 . 1 1 39 39 LYS HE2 H 1 2.990 0.030 . 1 . . . . 39 LYS HE2 . 10210 1 386 . 1 1 39 39 LYS HE3 H 1 2.990 0.030 . 1 . . . . 39 LYS HE3 . 10210 1 387 . 1 1 39 39 LYS C C 13 174.070 0.300 . 1 . . . . 39 LYS C . 10210 1 388 . 1 1 40 40 PRO CA C 13 63.186 0.300 . 1 . . . . 40 PRO CA . 10210 1 389 . 1 1 40 40 PRO HA H 1 4.436 0.030 . 1 . . . . 40 PRO HA . 10210 1 390 . 1 1 40 40 PRO CB C 13 32.163 0.300 . 1 . . . . 40 PRO CB . 10210 1 391 . 1 1 40 40 PRO HB2 H 1 2.279 0.030 . 2 . . . . 40 PRO HB2 . 10210 1 392 . 1 1 40 40 PRO HB3 H 1 1.916 0.030 . 2 . . . . 40 PRO HB3 . 10210 1 393 . 1 1 40 40 PRO CG C 13 27.510 0.300 . 1 . . . . 40 PRO CG . 10210 1 394 . 1 1 40 40 PRO HG2 H 1 1.990 0.030 . 1 . . . . 40 PRO HG2 . 10210 1 395 . 1 1 40 40 PRO HG3 H 1 1.990 0.030 . 1 . . . . 40 PRO HG3 . 10210 1 396 . 1 1 40 40 PRO CD C 13 50.674 0.300 . 1 . . . . 40 PRO CD . 10210 1 397 . 1 1 40 40 PRO HD2 H 1 3.789 0.030 . 2 . . . . 40 PRO HD2 . 10210 1 398 . 1 1 40 40 PRO HD3 H 1 3.624 0.030 . 2 . . . . 40 PRO HD3 . 10210 1 399 . 1 1 41 41 SER N N 15 116.479 0.300 . 1 . . . . 41 SER N . 10210 1 400 . 1 1 41 41 SER H H 1 8.459 0.030 . 1 . . . . 41 SER H . 10210 1 401 . 1 1 41 41 SER CA C 13 58.355 0.300 . 1 . . . . 41 SER CA . 10210 1 402 . 1 1 41 41 SER HA H 1 4.461 0.030 . 1 . . . . 41 SER HA . 10210 1 403 . 1 1 41 41 SER CB C 13 63.936 0.300 . 1 . . . . 41 SER CB . 10210 1 404 . 1 1 41 41 SER HB2 H 1 3.866 0.030 . 1 . . . . 41 SER HB2 . 10210 1 405 . 1 1 41 41 SER HB3 H 1 3.866 0.030 . 1 . . . . 41 SER HB3 . 10210 1 406 . 1 1 42 42 GLY N N 15 110.647 0.300 . 1 . . . . 42 GLY N . 10210 1 407 . 1 1 42 42 GLY H H 1 8.218 0.030 . 1 . . . . 42 GLY H . 10210 1 408 . 1 1 42 42 GLY CA C 13 44.626 0.300 . 1 . . . . 42 GLY CA . 10210 1 409 . 1 1 42 42 GLY HA2 H 1 4.134 0.030 . 2 . . . . 42 GLY HA2 . 10210 1 410 . 1 1 42 42 GLY HA3 H 1 4.086 0.030 . 2 . . . . 42 GLY HA3 . 10210 1 411 . 1 1 43 43 PRO CA C 13 63.176 0.300 . 1 . . . . 43 PRO CA . 10210 1 412 . 1 1 43 43 PRO HA H 1 4.434 0.030 . 1 . . . . 43 PRO HA . 10210 1 413 . 1 1 43 43 PRO CB C 13 32.113 0.300 . 1 . . . . 43 PRO CB . 10210 1 414 . 1 1 43 43 PRO HB2 H 1 2.277 0.030 . 2 . . . . 43 PRO HB2 . 10210 1 415 . 1 1 43 43 PRO HB3 H 1 1.917 0.030 . 2 . . . . 43 PRO HB3 . 10210 1 416 . 1 1 43 43 PRO CG C 13 27.255 0.300 . 1 . . . . 43 PRO CG . 10210 1 417 . 1 1 43 43 PRO HG2 H 1 1.990 0.030 . 1 . . . . 43 PRO HG2 . 10210 1 418 . 1 1 43 43 PRO HG3 H 1 1.990 0.030 . 1 . . . . 43 PRO HG3 . 10210 1 419 . 1 1 43 43 PRO CD C 13 49.763 0.300 . 1 . . . . 43 PRO CD . 10210 1 420 . 1 1 43 43 PRO HD2 H 1 3.602 0.030 . 1 . . . . 43 PRO HD2 . 10210 1 421 . 1 1 43 43 PRO HD3 H 1 3.602 0.030 . 1 . . . . 43 PRO HD3 . 10210 1 422 . 1 1 44 44 SER N N 15 116.453 0.300 . 1 . . . . 44 SER N . 10210 1 423 . 1 1 44 44 SER H H 1 8.524 0.030 . 1 . . . . 44 SER H . 10210 1 stop_ save_