################################### # 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_assigned_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 34348 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_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 '2D 1H-1H TOCSY' . . . 34348 1 2 '2D 1H-1H NOESY' . . . 34348 1 3 '2D 1H-15N HSQC' . . . 34348 1 4 '2D 1H-13C HSQC' . . . 34348 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_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.Ambiguity_set_ID _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 1 1 LEU HA H 1 4.302 0.000 . 1 . . . . A 1 LEU HA . 34348 1 2 . 1 . 1 1 1 LEU HB2 H 1 1.453 0.000 . 1 . . . . A 1 LEU HB2 . 34348 1 3 . 1 . 1 1 1 LEU HB3 H 1 1.655 0.000 . 1 . . . . A 1 LEU HB3 . 34348 1 4 . 1 . 1 1 1 LEU HG H 1 1.633 0.000 . 1 . . . . A 1 LEU HG . 34348 1 5 . 1 . 1 1 1 LEU HD11 H 1 0.892 0.000 . 1 . . . . A 1 LEU HD11 . 34348 1 6 . 1 . 1 1 1 LEU HD12 H 1 0.892 0.000 . 1 . . . . A 1 LEU HD12 . 34348 1 7 . 1 . 1 1 1 LEU HD13 H 1 0.892 0.000 . 1 . . . . A 1 LEU HD13 . 34348 1 8 . 1 . 1 1 1 LEU HD21 H 1 0.892 0.000 . 1 . . . . A 1 LEU HD21 . 34348 1 9 . 1 . 1 1 1 LEU HD22 H 1 0.892 0.000 . 1 . . . . A 1 LEU HD22 . 34348 1 10 . 1 . 1 1 1 LEU HD23 H 1 0.892 0.000 . 1 . . . . A 1 LEU HD23 . 34348 1 11 . 1 . 1 1 1 LEU CA C 13 50.266 0.000 . 1 . . . . A 1 LEU CA . 34348 1 12 . 1 . 1 1 1 LEU CB C 13 39.973 0.000 . 1 . . . . A 1 LEU CB . 34348 1 13 . 1 . 1 2 2 PRO HA H 1 4.001 0.000 . 1 . . . . A 2 PRO HA . 34348 1 14 . 1 . 1 2 2 PRO HB2 H 1 1.539 0.000 . 1 . . . . A 2 PRO HB2 . 34348 1 15 . 1 . 1 2 2 PRO HB3 H 1 0.676 0.000 . 1 . . . . A 2 PRO HB3 . 34348 1 16 . 1 . 1 2 2 PRO HG2 H 1 1.539 0.000 . 1 . . . . A 2 PRO HG2 . 34348 1 17 . 1 . 1 2 2 PRO HG3 H 1 1.660 0.000 . 1 . . . . A 2 PRO HG3 . 34348 1 18 . 1 . 1 2 2 PRO HD2 H 1 3.743 0.000 . 1 . . . . A 2 PRO HD2 . 34348 1 19 . 1 . 1 2 2 PRO HD3 H 1 3.217 0.000 . 1 . . . . A 2 PRO HD3 . 34348 1 20 . 1 . 1 2 2 PRO CA C 13 60.691 0.000 . 1 . . . . A 2 PRO CA . 34348 1 21 . 1 . 1 2 2 PRO CB C 13 28.760 0.000 . 1 . . . . A 2 PRO CB . 34348 1 22 . 1 . 1 3 3 ARG H H 1 7.393 0.000 . 1 . . . . A 3 ARG H . 34348 1 23 . 1 . 1 3 3 ARG HA H 1 3.948 0.000 . 1 . . . . A 3 ARG HA . 34348 1 24 . 1 . 1 3 3 ARG HB2 H 1 1.790 0.000 . 1 . . . . A 3 ARG HB2 . 34348 1 25 . 1 . 1 3 3 ARG HB3 H 1 1.906 0.000 . 1 . . . . A 3 ARG HB3 . 34348 1 26 . 1 . 1 3 3 ARG HG2 H 1 1.679 0.000 . 1 . . . . A 3 ARG HG2 . 34348 1 27 . 1 . 1 3 3 ARG HG3 H 1 1.679 0.000 . 1 . . . . A 3 ARG HG3 . 34348 1 28 . 1 . 1 3 3 ARG HD2 H 1 3.300 0.000 . 1 . . . . A 3 ARG HD2 . 34348 1 29 . 1 . 1 3 3 ARG HD3 H 1 3.948 0.000 . 1 . . . . A 3 ARG HD3 . 34348 1 30 . 1 . 1 3 3 ARG HE H 1 7.297 0.000 . 1 . . . . A 3 ARG HE . 34348 1 31 . 1 . 1 3 3 ARG CA C 13 56.627 0.000 . 1 . . . . A 3 ARG CA . 34348 1 32 . 1 . 1 3 3 ARG CB C 13 27.935 0.000 . 1 . . . . A 3 ARG CB . 34348 1 33 . 1 . 1 3 3 ARG N N 15 122.203 0.000 . 1 . . . . A 3 ARG N . 34348 1 34 . 1 . 1 4 4 ASP H H 1 8.479 0.000 . 1 . . . . A 4 ASP H . 34348 1 35 . 1 . 1 4 4 ASP HA H 1 4.254 0.000 . 1 . . . . A 4 ASP HA . 34348 1 36 . 1 . 1 4 4 ASP HB2 H 1 2.776 0.000 . 1 . . . . A 4 ASP HB2 . 34348 1 37 . 1 . 1 4 4 ASP HB3 H 1 2.554 0.000 . 1 . . . . A 4 ASP HB3 . 34348 1 38 . 1 . 1 4 4 ASP CA C 13 53.669 0.000 . 1 . . . . A 4 ASP CA . 34348 1 39 . 1 . 1 4 4 ASP CB C 13 33.868 0.000 . 1 . . . . A 4 ASP CB . 34348 1 40 . 1 . 1 4 4 ASP N N 15 117.153 0.000 . 1 . . . . A 4 ASP N . 34348 1 41 . 1 . 1 5 5 THR H H 1 7.461 0.000 . 1 . . . . A 5 THR H . 34348 1 42 . 1 . 1 5 5 THR HA H 1 3.950 0.000 . 1 . . . . A 5 THR HA . 34348 1 43 . 1 . 1 5 5 THR HB H 1 4.102 0.000 . 1 . . . . A 5 THR HB . 34348 1 44 . 1 . 1 5 5 THR HG1 H 1 6.639 0.000 . 1 . . . . A 5 THR HG1 . 34348 1 45 . 1 . 1 5 5 THR HG21 H 1 1.278 0.000 . 1 . . . . A 5 THR HG21 . 34348 1 46 . 1 . 1 5 5 THR HG22 H 1 1.278 0.000 . 1 . . . . A 5 THR HG22 . 34348 1 47 . 1 . 1 5 5 THR HG23 H 1 1.278 0.000 . 1 . . . . A 5 THR HG23 . 34348 1 48 . 1 . 1 5 5 THR CA C 13 64.275 0.000 . 1 . . . . A 5 THR CA . 34348 1 49 . 1 . 1 5 5 THR CB C 13 65.976 0.000 . 1 . . . . A 5 THR CB . 34348 1 50 . 1 . 1 5 5 THR N N 15 119.094 0.000 . 1 . . . . A 5 THR N . 34348 1 51 . 1 . 1 6 6 SER H H 1 8.223 0.000 . 1 . . . . A 6 SER H . 34348 1 52 . 1 . 1 6 6 SER HA H 1 3.910 0.000 . 1 . . . . A 6 SER HA . 34348 1 53 . 1 . 1 6 6 SER HB2 H 1 3.828 0.000 . 1 . . . . A 6 SER HB2 . 34348 1 54 . 1 . 1 6 6 SER HB3 H 1 3.827 0.000 . 1 . . . . A 6 SER HB3 . 34348 1 55 . 1 . 1 6 6 SER N N 15 115.075 0.000 . 1 . . . . A 6 SER N . 34348 1 56 . 1 . 1 7 7 ARG H H 1 7.762 0.000 . 1 . . . . A 7 ARG H . 34348 1 57 . 1 . 1 7 7 ARG HA H 1 3.977 0.000 . 1 . . . . A 7 ARG HA . 34348 1 58 . 1 . 1 7 7 ARG HB2 H 1 1.934 0.000 . 1 . . . . A 7 ARG HB2 . 34348 1 59 . 1 . 1 7 7 ARG HB3 H 1 1.935 0.000 . 1 . . . . A 7 ARG HB3 . 34348 1 60 . 1 . 1 7 7 ARG HG2 H 1 1.735 0.000 . 1 . . . . A 7 ARG HG2 . 34348 1 61 . 1 . 1 7 7 ARG HG3 H 1 1.586 0.000 . 1 . . . . A 7 ARG HG3 . 34348 1 62 . 1 . 1 7 7 ARG HD2 H 1 3.208 0.000 . 1 . . . . A 7 ARG HD2 . 34348 1 63 . 1 . 1 7 7 ARG HD3 H 1 3.208 0.000 . 1 . . . . A 7 ARG HD3 . 34348 1 64 . 1 . 1 7 7 ARG HE H 1 7.216 0.000 . 1 . . . . A 7 ARG HE . 34348 1 65 . 1 . 1 7 7 ARG CB C 13 30.366 0.000 . 1 . . . . A 7 ARG CB . 34348 1 66 . 1 . 1 7 7 ARG N N 15 123.221 0.000 . 1 . . . . A 7 ARG N . 34348 1 67 . 1 . 1 8 8 CYS H H 1 8.222 0.000 . 1 . . . . A 8 CYS H . 34348 1 68 . 1 . 1 8 8 CYS HA H 1 4.333 0.000 . 1 . . . . A 8 CYS HA . 34348 1 69 . 1 . 1 8 8 CYS HB2 H 1 3.067 0.000 . 1 . . . . A 8 CYS HB2 . 34348 1 70 . 1 . 1 8 8 CYS HB3 H 1 3.067 0.000 . 1 . . . . A 8 CYS HB3 . 34348 1 71 . 1 . 1 8 8 CYS CA C 13 56.750 0.000 . 1 . . . . A 8 CYS CA . 34348 1 72 . 1 . 1 8 8 CYS CB C 13 38.533 0.000 . 1 . . . . A 8 CYS CB . 34348 1 73 . 1 . 1 8 8 CYS N N 15 119.225 0.000 . 1 . . . . A 8 CYS N . 34348 1 74 . 1 . 1 9 9 VAL H H 1 8.541 0.000 . 1 . . . . A 9 VAL H . 34348 1 75 . 1 . 1 9 9 VAL HA H 1 3.783 0.000 . 1 . . . . A 9 VAL HA . 34348 1 76 . 1 . 1 9 9 VAL HB H 1 2.087 0.000 . 1 . . . . A 9 VAL HB . 34348 1 77 . 1 . 1 9 9 VAL HG11 H 1 0.911 0.000 . 1 . . . . A 9 VAL HG11 . 34348 1 78 . 1 . 1 9 9 VAL HG12 H 1 0.911 0.000 . 1 . . . . A 9 VAL HG12 . 34348 1 79 . 1 . 1 9 9 VAL HG13 H 1 0.911 0.000 . 1 . . . . A 9 VAL HG13 . 34348 1 80 . 1 . 1 9 9 VAL HG21 H 1 0.967 0.000 . 1 . . . . A 9 VAL HG21 . 34348 1 81 . 1 . 1 9 9 VAL HG22 H 1 0.967 0.000 . 1 . . . . A 9 VAL HG22 . 34348 1 82 . 1 . 1 9 9 VAL HG23 H 1 0.967 0.000 . 1 . . . . A 9 VAL HG23 . 34348 1 83 . 1 . 1 9 9 VAL CA C 13 63.105 0.000 . 1 . . . . A 9 VAL CA . 34348 1 84 . 1 . 1 9 9 VAL CB C 13 29.037 0.000 . 1 . . . . A 9 VAL CB . 34348 1 85 . 1 . 1 9 9 VAL N N 15 118.030 0.000 . 1 . . . . A 9 VAL N . 34348 1 86 . 1 . 1 10 10 GLY H H 1 8.034 0.000 . 1 . . . . A 10 GLY H . 34348 1 87 . 1 . 1 10 10 GLY HA2 H 1 3.816 0.000 . 1 . . . . A 10 GLY HA2 . 34348 1 88 . 1 . 1 10 10 GLY HA3 H 1 3.816 0.000 . 1 . . . . A 10 GLY HA3 . 34348 1 89 . 1 . 1 10 10 GLY CA C 13 43.992 0.000 . 1 . . . . A 10 GLY CA . 34348 1 90 . 1 . 1 10 10 GLY N N 15 111.313 0.000 . 1 . . . . A 10 GLY N . 34348 1 91 . 1 . 1 11 11 TYR H H 1 7.432 0.000 . 1 . . . . A 11 TYR H . 34348 1 92 . 1 . 1 11 11 TYR HA H 1 4.602 0.000 . 1 . . . . A 11 TYR HA . 34348 1 93 . 1 . 1 11 11 TYR HB2 H 1 3.343 0.000 . 1 . . . . A 11 TYR HB2 . 34348 1 94 . 1 . 1 11 11 TYR HB3 H 1 2.847 0.000 . 1 . . . . A 11 TYR HB3 . 34348 1 95 . 1 . 1 11 11 TYR HD1 H 1 7.197 0.000 . 1 . . . . A 11 TYR HD1 . 34348 1 96 . 1 . 1 11 11 TYR HD2 H 1 7.197 0.000 . 1 . . . . A 11 TYR HD2 . 34348 1 97 . 1 . 1 11 11 TYR HE1 H 1 6.779 0.000 . 1 . . . . A 11 TYR HE1 . 34348 1 98 . 1 . 1 11 11 TYR HE2 H 1 6.779 0.000 . 1 . . . . A 11 TYR HE2 . 34348 1 99 . 1 . 1 11 11 TYR CA C 13 54.835 0.000 . 1 . . . . A 11 TYR CA . 34348 1 100 . 1 . 1 11 11 TYR CB C 13 35.359 0.000 . 1 . . . . A 11 TYR CB . 34348 1 101 . 1 . 1 11 11 TYR N N 15 119.082 0.000 . 1 . . . . A 11 TYR N . 34348 1 102 . 1 . 1 12 12 HIS H H 1 8.180 0.000 . 1 . . . . A 12 HIS H . 34348 1 103 . 1 . 1 12 12 HIS HA H 1 4.393 0.000 . 1 . . . . A 12 HIS HA . 34348 1 104 . 1 . 1 12 12 HIS HB2 H 1 3.519 0.000 . 1 . . . . A 12 HIS HB2 . 34348 1 105 . 1 . 1 12 12 HIS HB3 H 1 3.611 0.000 . 1 . . . . A 12 HIS HB3 . 34348 1 106 . 1 . 1 12 12 HIS HD2 H 1 7.258 0.000 . 1 . . . . A 12 HIS HD2 . 34348 1 107 . 1 . 1 12 12 HIS HE1 H 1 8.598 0.000 . 1 . . . . A 12 HIS HE1 . 34348 1 108 . 1 . 1 12 12 HIS CA C 13 53.704 0.000 . 1 . . . . A 12 HIS CA . 34348 1 109 . 1 . 1 12 12 HIS CB C 13 22.856 0.000 . 1 . . . . A 12 HIS CB . 34348 1 110 . 1 . 1 12 12 HIS N N 15 113.209 0.000 . 1 . . . . A 12 HIS N . 34348 1 111 . 1 . 1 13 13 GLY H H 1 8.305 0.000 . 1 . . . . A 13 GLY H . 34348 1 112 . 1 . 1 13 13 GLY HA2 H 1 3.520 0.000 . 1 . . . . A 13 GLY HA2 . 34348 1 113 . 1 . 1 13 13 GLY HA3 H 1 4.672 0.000 . 1 . . . . A 13 GLY HA3 . 34348 1 114 . 1 . 1 13 13 GLY CA C 13 42.388 0.000 . 1 . . . . A 13 GLY CA . 34348 1 115 . 1 . 1 13 13 GLY N N 15 106.528 0.000 . 1 . . . . A 13 GLY N . 34348 1 116 . 1 . 1 14 14 TYR H H 1 8.585 0.000 . 1 . . . . A 14 TYR H . 34348 1 117 . 1 . 1 14 14 TYR HA H 1 4.800 0.000 . 1 . . . . A 14 TYR HA . 34348 1 118 . 1 . 1 14 14 TYR HB2 H 1 2.812 0.000 . 1 . . . . A 14 TYR HB2 . 34348 1 119 . 1 . 1 14 14 TYR HB3 H 1 2.733 0.000 . 1 . . . . A 14 TYR HB3 . 34348 1 120 . 1 . 1 14 14 TYR HD1 H 1 6.746 0.000 . 1 . . . . A 14 TYR HD1 . 34348 1 121 . 1 . 1 14 14 TYR HD2 H 1 6.746 0.000 . 1 . . . . A 14 TYR HD2 . 34348 1 122 . 1 . 1 14 14 TYR HE1 H 1 6.076 0.000 . 1 . . . . A 14 TYR HE1 . 34348 1 123 . 1 . 1 14 14 TYR HE2 H 1 6.076 0.000 . 1 . . . . A 14 TYR HE2 . 34348 1 124 . 1 . 1 14 14 TYR CA C 13 52.809 0.000 . 1 . . . . A 14 TYR CA . 34348 1 125 . 1 . 1 14 14 TYR CB C 13 38.108 0.000 . 1 . . . . A 14 TYR CB . 34348 1 126 . 1 . 1 14 14 TYR N N 15 115.885 0.000 . 1 . . . . A 14 TYR N . 34348 1 127 . 1 . 1 15 15 CYS H H 1 8.552 0.000 . 1 . . . . A 15 CYS H . 34348 1 128 . 1 . 1 15 15 CYS HA H 1 5.461 0.000 . 1 . . . . A 15 CYS HA . 34348 1 129 . 1 . 1 15 15 CYS HB2 H 1 2.876 0.000 . 1 . . . . A 15 CYS HB2 . 34348 1 130 . 1 . 1 15 15 CYS HB3 H 1 2.521 0.000 . 1 . . . . A 15 CYS HB3 . 34348 1 131 . 1 . 1 15 15 CYS CA C 13 50.942 0.000 . 1 . . . . A 15 CYS CA . 34348 1 132 . 1 . 1 15 15 CYS CB C 13 38.471 0.000 . 1 . . . . A 15 CYS CB . 34348 1 133 . 1 . 1 15 15 CYS N N 15 120.625 0.000 . 1 . . . . A 15 CYS N . 34348 1 134 . 1 . 1 16 16 ILE H H 1 9.307 0.000 . 1 . . . . A 16 ILE H . 34348 1 135 . 1 . 1 16 16 ILE HA H 1 4.828 0.000 . 1 . . . . A 16 ILE HA . 34348 1 136 . 1 . 1 16 16 ILE HB H 1 1.933 0.000 . 1 . . . . A 16 ILE HB . 34348 1 137 . 1 . 1 16 16 ILE HG12 H 1 1.579 0.000 . 1 . . . . A 16 ILE HG12 . 34348 1 138 . 1 . 1 16 16 ILE HG13 H 1 1.006 0.000 . 1 . . . . A 16 ILE HG13 . 34348 1 139 . 1 . 1 16 16 ILE HG21 H 1 0.862 0.000 . 1 . . . . A 16 ILE HG21 . 34348 1 140 . 1 . 1 16 16 ILE HG22 H 1 0.862 0.000 . 1 . . . . A 16 ILE HG22 . 34348 1 141 . 1 . 1 16 16 ILE HG23 H 1 0.862 0.000 . 1 . . . . A 16 ILE HG23 . 34348 1 142 . 1 . 1 16 16 ILE HD11 H 1 0.805 0.000 . 1 . . . . A 16 ILE HD11 . 34348 1 143 . 1 . 1 16 16 ILE HD12 H 1 0.805 0.000 . 1 . . . . A 16 ILE HD12 . 34348 1 144 . 1 . 1 16 16 ILE HD13 H 1 0.805 0.000 . 1 . . . . A 16 ILE HD13 . 34348 1 145 . 1 . 1 16 16 ILE CA C 13 56.950 0.000 . 1 . . . . A 16 ILE CA . 34348 1 146 . 1 . 1 16 16 ILE CB C 13 40.157 0.000 . 1 . . . . A 16 ILE CB . 34348 1 147 . 1 . 1 16 16 ILE CG1 C 13 23.483 0.000 . 1 . . . . A 16 ILE CG1 . 34348 1 148 . 1 . 1 16 16 ILE CG2 C 13 15.465 0.000 . 1 . . . . A 16 ILE CG2 . 34348 1 149 . 1 . 1 16 16 ILE CD1 C 13 12.602 0.000 . 1 . . . . A 16 ILE CD1 . 34348 1 150 . 1 . 1 16 16 ILE N N 15 120.270 0.000 . 1 . . . . A 16 ILE N . 34348 1 151 . 1 . 1 17 17 ARG H H 1 8.785 0.000 . 1 . . . . A 17 ARG H . 34348 1 152 . 1 . 1 17 17 ARG HA H 1 4.430 0.000 . 1 . . . . A 17 ARG HA . 34348 1 153 . 1 . 1 17 17 ARG HB2 H 1 1.734 0.000 . 1 . . . . A 17 ARG HB2 . 34348 1 154 . 1 . 1 17 17 ARG HB3 H 1 1.995 0.000 . 1 . . . . A 17 ARG HB3 . 34348 1 155 . 1 . 1 17 17 ARG HG2 H 1 1.654 0.000 . 1 . . . . A 17 ARG HG2 . 34348 1 156 . 1 . 1 17 17 ARG HG3 H 1 1.654 0.000 . 1 . . . . A 17 ARG HG3 . 34348 1 157 . 1 . 1 17 17 ARG HD2 H 1 3.258 0.000 . 1 . . . . A 17 ARG HD2 . 34348 1 158 . 1 . 1 17 17 ARG HD3 H 1 3.258 0.000 . 1 . . . . A 17 ARG HD3 . 34348 1 159 . 1 . 1 17 17 ARG HE H 1 7.269 0.000 . 1 . . . . A 17 ARG HE . 34348 1 160 . 1 . 1 17 17 ARG CA C 13 54.388 0.000 . 1 . . . . A 17 ARG CA . 34348 1 161 . 1 . 1 17 17 ARG CB C 13 27.365 0.000 . 1 . . . . A 17 ARG CB . 34348 1 162 . 1 . 1 17 17 ARG N N 15 123.769 0.000 . 1 . . . . A 17 ARG N . 34348 1 163 . 1 . 1 18 18 SER H H 1 7.598 0.000 . 1 . . . . A 18 SER H . 34348 1 164 . 1 . 1 18 18 SER HA H 1 4.429 0.000 . 1 . . . . A 18 SER HA . 34348 1 165 . 1 . 1 18 18 SER HB2 H 1 3.748 0.000 . 1 . . . . A 18 SER HB2 . 34348 1 166 . 1 . 1 18 18 SER HB3 H 1 4.003 0.000 . 1 . . . . A 18 SER HB3 . 34348 1 167 . 1 . 1 18 18 SER CA C 13 54.941 0.000 . 1 . . . . A 18 SER CA . 34348 1 168 . 1 . 1 18 18 SER CB C 13 60.691 0.000 . 1 . . . . A 18 SER CB . 34348 1 169 . 1 . 1 18 18 SER N N 15 114.847 0.000 . 1 . . . . A 18 SER N . 34348 1 170 . 1 . 1 19 19 LYS H H 1 8.408 0.000 . 1 . . . . A 19 LYS H . 34348 1 171 . 1 . 1 19 19 LYS HA H 1 4.240 0.000 . 1 . . . . A 19 LYS HA . 34348 1 172 . 1 . 1 19 19 LYS HB2 H 1 1.930 0.000 . 1 . . . . A 19 LYS HB2 . 34348 1 173 . 1 . 1 19 19 LYS HB3 H 1 1.767 0.000 . 1 . . . . A 19 LYS HB3 . 34348 1 174 . 1 . 1 19 19 LYS HG2 H 1 1.524 0.000 . 1 . . . . A 19 LYS HG2 . 34348 1 175 . 1 . 1 19 19 LYS HG3 H 1 1.446 0.000 . 1 . . . . A 19 LYS HG3 . 34348 1 176 . 1 . 1 19 19 LYS HD2 H 1 1.647 0.000 . 1 . . . . A 19 LYS HD2 . 34348 1 177 . 1 . 1 19 19 LYS HD3 H 1 1.647 0.000 . 1 . . . . A 19 LYS HD3 . 34348 1 178 . 1 . 1 19 19 LYS HE2 H 1 2.983 0.000 . 1 . . . . A 19 LYS HE2 . 34348 1 179 . 1 . 1 19 19 LYS HE3 H 1 2.983 0.000 . 1 . . . . A 19 LYS HE3 . 34348 1 180 . 1 . 1 19 19 LYS CA C 13 54.618 0.000 . 1 . . . . A 19 LYS CA . 34348 1 181 . 1 . 1 19 19 LYS CB C 13 30.372 0.000 . 1 . . . . A 19 LYS CB . 34348 1 182 . 1 . 1 19 19 LYS N N 15 120.493 0.000 . 1 . . . . A 19 LYS N . 34348 1 183 . 1 . 1 20 20 VAL H H 1 7.699 0.000 . 1 . . . . A 20 VAL H . 34348 1 184 . 1 . 1 20 20 VAL HA H 1 4.261 0.000 . 1 . . . . A 20 VAL HA . 34348 1 185 . 1 . 1 20 20 VAL HB H 1 1.930 0.000 . 1 . . . . A 20 VAL HB . 34348 1 186 . 1 . 1 20 20 VAL HG11 H 1 0.882 0.000 . 1 . . . . A 20 VAL HG11 . 34348 1 187 . 1 . 1 20 20 VAL HG12 H 1 0.882 0.000 . 1 . . . . A 20 VAL HG12 . 34348 1 188 . 1 . 1 20 20 VAL HG13 H 1 0.882 0.000 . 1 . . . . A 20 VAL HG13 . 34348 1 189 . 1 . 1 20 20 VAL HG21 H 1 0.836 0.000 . 1 . . . . A 20 VAL HG21 . 34348 1 190 . 1 . 1 20 20 VAL HG22 H 1 0.836 0.000 . 1 . . . . A 20 VAL HG22 . 34348 1 191 . 1 . 1 20 20 VAL HG23 H 1 0.836 0.000 . 1 . . . . A 20 VAL HG23 . 34348 1 192 . 1 . 1 20 20 VAL CA C 13 57.617 0.000 . 1 . . . . A 20 VAL CA . 34348 1 193 . 1 . 1 20 20 VAL CB C 13 31.528 0.000 . 1 . . . . A 20 VAL CB . 34348 1 194 . 1 . 1 20 20 VAL N N 15 115.843 0.000 . 1 . . . . A 20 VAL N . 34348 1 195 . 1 . 1 21 21 CYS H H 1 8.761 0.000 . 1 . . . . A 21 CYS H . 34348 1 196 . 1 . 1 21 21 CYS HA H 1 4.687 0.000 . 1 . . . . A 21 CYS HA . 34348 1 197 . 1 . 1 21 21 CYS HB2 H 1 2.581 0.000 . 1 . . . . A 21 CYS HB2 . 34348 1 198 . 1 . 1 21 21 CYS HB3 H 1 2.581 0.000 . 1 . . . . A 21 CYS HB3 . 34348 1 199 . 1 . 1 21 21 CYS CA C 13 51.728 0.000 . 1 . . . . A 21 CYS CA . 34348 1 200 . 1 . 1 21 21 CYS CB C 13 39.020 0.000 . 1 . . . . A 21 CYS CB . 34348 1 201 . 1 . 1 21 21 CYS N N 15 124.217 0.000 . 1 . . . . A 21 CYS N . 34348 1 202 . 1 . 1 22 22 PRO HA H 1 4.548 0.000 . 1 . . . . A 22 PRO HA . 34348 1 203 . 1 . 1 22 22 PRO HB2 H 1 2.272 0.000 . 1 . . . . A 22 PRO HB2 . 34348 1 204 . 1 . 1 22 22 PRO HB3 H 1 2.018 0.000 . 1 . . . . A 22 PRO HB3 . 34348 1 205 . 1 . 1 22 22 PRO HG2 H 1 2.226 0.000 . 1 . . . . A 22 PRO HG2 . 34348 1 206 . 1 . 1 22 22 PRO HG3 H 1 2.130 0.000 . 1 . . . . A 22 PRO HG3 . 34348 1 207 . 1 . 1 22 22 PRO HD2 H 1 3.747 0.000 . 1 . . . . A 22 PRO HD2 . 34348 1 208 . 1 . 1 22 22 PRO HD3 H 1 3.837 0.000 . 1 . . . . A 22 PRO HD3 . 34348 1 209 . 1 . 1 22 22 PRO CA C 13 59.597 0.000 . 1 . . . . A 22 PRO CA . 34348 1 210 . 1 . 1 22 22 PRO CB C 13 28.905 0.000 . 1 . . . . A 22 PRO CB . 34348 1 211 . 1 . 1 22 22 PRO CG C 13 24.838 0.000 . 1 . . . . A 22 PRO CG . 34348 1 212 . 1 . 1 23 23 LYS H H 1 8.496 0.000 . 1 . . . . A 23 LYS H . 34348 1 213 . 1 . 1 23 23 LYS HA H 1 4.406 0.000 . 1 . . . . A 23 LYS HA . 34348 1 214 . 1 . 1 23 23 LYS HB2 H 1 1.732 0.000 . 1 . . . . A 23 LYS HB2 . 34348 1 215 . 1 . 1 23 23 LYS HB3 H 1 1.732 0.000 . 1 . . . . A 23 LYS HB3 . 34348 1 216 . 1 . 1 23 23 LYS HG2 H 1 1.481 0.000 . 1 . . . . A 23 LYS HG2 . 34348 1 217 . 1 . 1 23 23 LYS HG3 H 1 1.481 0.000 . 1 . . . . A 23 LYS HG3 . 34348 1 218 . 1 . 1 23 23 LYS HD2 H 1 1.617 0.000 . 1 . . . . A 23 LYS HD2 . 34348 1 219 . 1 . 1 23 23 LYS HD3 H 1 1.617 0.000 . 1 . . . . A 23 LYS HD3 . 34348 1 220 . 1 . 1 23 23 LYS HE2 H 1 3.008 0.000 . 1 . . . . A 23 LYS HE2 . 34348 1 221 . 1 . 1 23 23 LYS HE3 H 1 3.008 0.000 . 1 . . . . A 23 LYS HE3 . 34348 1 222 . 1 . 1 23 23 LYS CA C 13 52.933 0.000 . 1 . . . . A 23 LYS CA . 34348 1 223 . 1 . 1 23 23 LYS CB C 13 28.810 0.000 . 1 . . . . A 23 LYS CB . 34348 1 224 . 1 . 1 23 23 LYS N N 15 122.669 0.000 . 1 . . . . A 23 LYS N . 34348 1 225 . 1 . 1 24 24 PRO HA H 1 4.576 0.000 . 1 . . . . A 24 PRO HA . 34348 1 226 . 1 . 1 24 24 PRO HB2 H 1 1.873 0.000 . 1 . . . . A 24 PRO HB2 . 34348 1 227 . 1 . 1 24 24 PRO HB3 H 1 2.346 0.000 . 1 . . . . A 24 PRO HB3 . 34348 1 228 . 1 . 1 24 24 PRO HG2 H 1 0.997 0.000 . 1 . . . . A 24 PRO HG2 . 34348 1 229 . 1 . 1 24 24 PRO HG3 H 1 0.997 0.000 . 1 . . . . A 24 PRO HG3 . 34348 1 230 . 1 . 1 24 24 PRO HD2 H 1 2.790 0.000 . 1 . . . . A 24 PRO HD2 . 34348 1 231 . 1 . 1 24 24 PRO HD3 H 1 3.306 0.000 . 1 . . . . A 24 PRO HD3 . 34348 1 232 . 1 . 1 24 24 PRO CA C 13 61.129 0.000 . 1 . . . . A 24 PRO CA . 34348 1 233 . 1 . 1 24 24 PRO CB C 13 29.831 0.000 . 1 . . . . A 24 PRO CB . 34348 1 234 . 1 . 1 25 25 PHE H H 1 8.989 0.000 . 1 . . . . A 25 PHE H . 34348 1 235 . 1 . 1 25 25 PHE HA H 1 4.638 0.000 . 1 . . . . A 25 PHE HA . 34348 1 236 . 1 . 1 25 25 PHE HB2 H 1 3.219 0.000 . 1 . . . . A 25 PHE HB2 . 34348 1 237 . 1 . 1 25 25 PHE HB3 H 1 2.944 0.000 . 1 . . . . A 25 PHE HB3 . 34348 1 238 . 1 . 1 25 25 PHE HD1 H 1 7.200 0.000 . 1 . . . . A 25 PHE HD1 . 34348 1 239 . 1 . 1 25 25 PHE HD2 H 1 7.200 0.000 . 1 . . . . A 25 PHE HD2 . 34348 1 240 . 1 . 1 25 25 PHE HE1 H 1 7.396 0.000 . 1 . . . . A 25 PHE HE1 . 34348 1 241 . 1 . 1 25 25 PHE HE2 H 1 7.396 0.000 . 1 . . . . A 25 PHE HE2 . 34348 1 242 . 1 . 1 25 25 PHE CA C 13 55.269 0.000 . 1 . . . . A 25 PHE CA . 34348 1 243 . 1 . 1 25 25 PHE CB C 13 37.734 0.000 . 1 . . . . A 25 PHE CB . 34348 1 244 . 1 . 1 25 25 PHE N N 15 125.539 0.000 . 1 . . . . A 25 PHE N . 34348 1 245 . 1 . 1 26 26 ALA H H 1 8.933 0.000 . 1 . . . . A 26 ALA H . 34348 1 246 . 1 . 1 26 26 ALA HA H 1 4.656 0.000 . 1 . . . . A 26 ALA HA . 34348 1 247 . 1 . 1 26 26 ALA HB1 H 1 1.393 0.000 . 1 . . . . A 26 ALA HB1 . 34348 1 248 . 1 . 1 26 26 ALA HB2 H 1 1.393 0.000 . 1 . . . . A 26 ALA HB2 . 34348 1 249 . 1 . 1 26 26 ALA HB3 H 1 1.393 0.000 . 1 . . . . A 26 ALA HB3 . 34348 1 250 . 1 . 1 26 26 ALA CA C 13 48.098 0.000 . 1 . . . . A 26 ALA CA . 34348 1 251 . 1 . 1 26 26 ALA CB C 13 19.946 0.000 . 1 . . . . A 26 ALA CB . 34348 1 252 . 1 . 1 26 26 ALA N N 15 121.283 0.000 . 1 . . . . A 26 ALA N . 34348 1 253 . 1 . 1 27 27 ALA H H 1 8.370 0.000 . 1 . . . . A 27 ALA H . 34348 1 254 . 1 . 1 27 27 ALA HA H 1 4.795 0.000 . 1 . . . . A 27 ALA HA . 34348 1 255 . 1 . 1 27 27 ALA HB1 H 1 1.403 0.000 . 1 . . . . A 27 ALA HB1 . 34348 1 256 . 1 . 1 27 27 ALA HB2 H 1 1.403 0.000 . 1 . . . . A 27 ALA HB2 . 34348 1 257 . 1 . 1 27 27 ALA HB3 H 1 1.403 0.000 . 1 . . . . A 27 ALA HB3 . 34348 1 258 . 1 . 1 27 27 ALA CA C 13 50.259 0.000 . 1 . . . . A 27 ALA CA . 34348 1 259 . 1 . 1 27 27 ALA CB C 13 16.063 0.000 . 1 . . . . A 27 ALA CB . 34348 1 260 . 1 . 1 27 27 ALA N N 15 124.801 0.000 . 1 . . . . A 27 ALA N . 34348 1 261 . 1 . 1 28 28 PHE H H 1 9.238 0.000 . 1 . . . . A 28 PHE H . 34348 1 262 . 1 . 1 28 28 PHE HA H 1 4.637 0.000 . 1 . . . . A 28 PHE HA . 34348 1 263 . 1 . 1 28 28 PHE HB2 H 1 2.898 0.000 . 1 . . . . A 28 PHE HB2 . 34348 1 264 . 1 . 1 28 28 PHE HB3 H 1 2.699 0.000 . 1 . . . . A 28 PHE HB3 . 34348 1 265 . 1 . 1 28 28 PHE HD1 H 1 7.046 0.000 . 1 . . . . A 28 PHE HD1 . 34348 1 266 . 1 . 1 28 28 PHE HD2 H 1 7.046 0.000 . 1 . . . . A 28 PHE HD2 . 34348 1 267 . 1 . 1 28 28 PHE HE1 H 1 6.868 0.000 . 1 . . . . A 28 PHE HE1 . 34348 1 268 . 1 . 1 28 28 PHE HE2 H 1 6.868 0.000 . 1 . . . . A 28 PHE HE2 . 34348 1 269 . 1 . 1 28 28 PHE HZ H 1 6.914 0.000 . 1 . . . . A 28 PHE HZ . 34348 1 270 . 1 . 1 28 28 PHE CA C 13 54.279 0.000 . 1 . . . . A 28 PHE CA . 34348 1 271 . 1 . 1 28 28 PHE CB C 13 37.891 0.000 . 1 . . . . A 28 PHE CB . 34348 1 272 . 1 . 1 28 28 PHE N N 15 128.388 0.000 . 1 . . . . A 28 PHE N . 34348 1 273 . 1 . 1 29 29 GLY H H 1 8.213 0.000 . 1 . . . . A 29 GLY H . 34348 1 274 . 1 . 1 29 29 GLY HA2 H 1 3.712 0.000 . 1 . . . . A 29 GLY HA2 . 34348 1 275 . 1 . 1 29 29 GLY HA3 H 1 4.173 0.000 . 1 . . . . A 29 GLY HA3 . 34348 1 276 . 1 . 1 29 29 GLY CA C 13 41.750 0.000 . 1 . . . . A 29 GLY CA . 34348 1 277 . 1 . 1 29 29 GLY N N 15 109.682 0.000 . 1 . . . . A 29 GLY N . 34348 1 278 . 1 . 1 30 30 THR H H 1 7.991 0.000 . 1 . . . . A 30 THR H . 34348 1 279 . 1 . 1 30 30 THR HA H 1 5.003 0.000 . 1 . . . . A 30 THR HA . 34348 1 280 . 1 . 1 30 30 THR HB H 1 4.503 0.000 . 1 . . . . A 30 THR HB . 34348 1 281 . 1 . 1 30 30 THR HG21 H 1 1.061 0.000 . 1 . . . . A 30 THR HG21 . 34348 1 282 . 1 . 1 30 30 THR HG22 H 1 1.061 0.000 . 1 . . . . A 30 THR HG22 . 34348 1 283 . 1 . 1 30 30 THR HG23 H 1 1.061 0.000 . 1 . . . . A 30 THR HG23 . 34348 1 284 . 1 . 1 30 30 THR CA C 13 58.131 0.000 . 1 . . . . A 30 THR CA . 34348 1 285 . 1 . 1 30 30 THR CB C 13 70.297 0.000 . 1 . . . . A 30 THR CB . 34348 1 286 . 1 . 1 31 31 CYS H H 1 7.794 0.000 . 1 . . . . A 31 CYS H . 34348 1 287 . 1 . 1 31 31 CYS HA H 1 4.307 0.000 . 1 . . . . A 31 CYS HA . 34348 1 288 . 1 . 1 31 31 CYS HB2 H 1 3.217 0.000 . 1 . . . . A 31 CYS HB2 . 34348 1 289 . 1 . 1 31 31 CYS HB3 H 1 3.025 0.000 . 1 . . . . A 31 CYS HB3 . 34348 1 290 . 1 . 1 31 31 CYS CB C 13 45.239 0.000 . 1 . . . . A 31 CYS CB . 34348 1 291 . 1 . 1 31 31 CYS N N 15 111.216 0.000 . 1 . . . . A 31 CYS N . 34348 1 292 . 1 . 1 32 32 SER H H 1 8.223 0.000 . 1 . . . . A 32 SER H . 34348 1 293 . 1 . 1 32 32 SER HA H 1 4.163 0.000 . 1 . . . . A 32 SER HA . 34348 1 294 . 1 . 1 32 32 SER HB2 H 1 3.610 0.000 . 1 . . . . A 32 SER HB2 . 34348 1 295 . 1 . 1 32 32 SER HB3 H 1 3.427 0.000 . 1 . . . . A 32 SER HB3 . 34348 1 296 . 1 . 1 32 32 SER CA C 13 58.467 0.000 . 1 . . . . A 32 SER CA . 34348 1 297 . 1 . 1 32 32 SER CB C 13 58.492 0.000 . 1 . . . . A 32 SER CB . 34348 1 298 . 1 . 1 32 32 SER N N 15 112.295 0.000 . 1 . . . . A 32 SER N . 34348 1 299 . 1 . 1 33 33 TRP H H 1 10.387 0.000 . 1 . . . . A 33 TRP H . 34348 1 300 . 1 . 1 33 33 TRP HA H 1 4.206 0.000 . 1 . . . . A 33 TRP HA . 34348 1 301 . 1 . 1 33 33 TRP HB2 H 1 3.581 0.000 . 1 . . . . A 33 TRP HB2 . 34348 1 302 . 1 . 1 33 33 TRP HB3 H 1 3.253 0.000 . 1 . . . . A 33 TRP HB3 . 34348 1 303 . 1 . 1 33 33 TRP HD1 H 1 7.255 0.000 . 1 . . . . A 33 TRP HD1 . 34348 1 304 . 1 . 1 33 33 TRP HE1 H 1 10.286 0.000 . 1 . . . . A 33 TRP HE1 . 34348 1 305 . 1 . 1 33 33 TRP HE3 H 1 7.597 0.000 . 1 . . . . A 33 TRP HE3 . 34348 1 306 . 1 . 1 33 33 TRP HZ2 H 1 7.597 0.000 . 1 . . . . A 33 TRP HZ2 . 34348 1 307 . 1 . 1 33 33 TRP HZ3 H 1 7.167 0.000 . 1 . . . . A 33 TRP HZ3 . 34348 1 308 . 1 . 1 33 33 TRP HH2 H 1 7.297 0.000 . 1 . . . . A 33 TRP HH2 . 34348 1 309 . 1 . 1 33 33 TRP CA C 13 54.672 0.000 . 1 . . . . A 33 TRP CA . 34348 1 310 . 1 . 1 33 33 TRP CB C 13 23.122 0.000 . 1 . . . . A 33 TRP CB . 34348 1 311 . 1 . 1 34 34 ARG H H 1 9.312 0.000 . 1 . . . . A 34 ARG H . 34348 1 312 . 1 . 1 34 34 ARG HA H 1 3.586 0.000 . 1 . . . . A 34 ARG HA . 34348 1 313 . 1 . 1 34 34 ARG HB2 H 1 2.351 0.000 . 1 . . . . A 34 ARG HB2 . 34348 1 314 . 1 . 1 34 34 ARG HB3 H 1 2.086 0.000 . 1 . . . . A 34 ARG HB3 . 34348 1 315 . 1 . 1 34 34 ARG HG2 H 1 1.612 0.000 . 1 . . . . A 34 ARG HG2 . 34348 1 316 . 1 . 1 34 34 ARG HG3 H 1 1.477 0.000 . 1 . . . . A 34 ARG HG3 . 34348 1 317 . 1 . 1 34 34 ARG HD2 H 1 3.222 0.000 . 1 . . . . A 34 ARG HD2 . 34348 1 318 . 1 . 1 34 34 ARG HD3 H 1 3.222 0.000 . 1 . . . . A 34 ARG HD3 . 34348 1 319 . 1 . 1 34 34 ARG HE H 1 7.215 0.000 . 1 . . . . A 34 ARG HE . 34348 1 320 . 1 . 1 34 34 ARG CA C 13 55.419 0.000 . 1 . . . . A 34 ARG CA . 34348 1 321 . 1 . 1 34 34 ARG CB C 13 24.697 0.000 . 1 . . . . A 34 ARG CB . 34348 1 322 . 1 . 1 34 34 ARG N N 15 110.941 0.000 . 1 . . . . A 34 ARG N . 34348 1 323 . 1 . 1 35 35 GLN H H 1 7.835 0.000 . 1 . . . . A 35 GLN H . 34348 1 324 . 1 . 1 35 35 GLN HA H 1 4.305 0.000 . 1 . . . . A 35 GLN HA . 34348 1 325 . 1 . 1 35 35 GLN HB2 H 1 2.112 0.000 . 1 . . . . A 35 GLN HB2 . 34348 1 326 . 1 . 1 35 35 GLN HB3 H 1 2.331 0.000 . 1 . . . . A 35 GLN HB3 . 34348 1 327 . 1 . 1 35 35 GLN HG2 H 1 2.521 0.000 . 1 . . . . A 35 GLN HG2 . 34348 1 328 . 1 . 1 35 35 GLN HG3 H 1 2.725 0.000 . 1 . . . . A 35 GLN HG3 . 34348 1 329 . 1 . 1 35 35 GLN HE21 H 1 6.942 0.000 . 1 . . . . A 35 GLN HE21 . 34348 1 330 . 1 . 1 35 35 GLN HE22 H 1 7.621 0.000 . 1 . . . . A 35 GLN HE22 . 34348 1 331 . 1 . 1 35 35 GLN CB C 13 27.416 0.000 . 1 . . . . A 35 GLN CB . 34348 1 332 . 1 . 1 35 35 GLN N N 15 117.765 0.000 . 1 . . . . A 35 GLN N . 34348 1 333 . 1 . 1 36 36 LYS H H 1 8.244 0.000 . 1 . . . . A 36 LYS H . 34348 1 334 . 1 . 1 36 36 LYS HA H 1 4.780 0.000 . 1 . . . . A 36 LYS HA . 34348 1 335 . 1 . 1 36 36 LYS HB2 H 1 1.171 0.000 . 1 . . . . A 36 LYS HB2 . 34348 1 336 . 1 . 1 36 36 LYS HB3 H 1 1.822 0.000 . 1 . . . . A 36 LYS HB3 . 34348 1 337 . 1 . 1 36 36 LYS HG2 H 1 1.306 0.000 . 1 . . . . A 36 LYS HG2 . 34348 1 338 . 1 . 1 36 36 LYS HG3 H 1 1.306 0.000 . 1 . . . . A 36 LYS HG3 . 34348 1 339 . 1 . 1 36 36 LYS HD2 H 1 1.470 0.000 . 1 . . . . A 36 LYS HD2 . 34348 1 340 . 1 . 1 36 36 LYS HD3 H 1 1.470 0.000 . 1 . . . . A 36 LYS HD3 . 34348 1 341 . 1 . 1 36 36 LYS HE2 H 1 2.799 0.000 . 1 . . . . A 36 LYS HE2 . 34348 1 342 . 1 . 1 36 36 LYS HE3 H 1 2.861 0.000 . 1 . . . . A 36 LYS HE3 . 34348 1 343 . 1 . 1 36 36 LYS CA C 13 51.659 0.000 . 1 . . . . A 36 LYS CA . 34348 1 344 . 1 . 1 36 36 LYS CB C 13 35.094 0.000 . 1 . . . . A 36 LYS CB . 34348 1 345 . 1 . 1 36 36 LYS N N 15 117.144 0.000 . 1 . . . . A 36 LYS N . 34348 1 346 . 1 . 1 37 37 THR H H 1 9.014 0.000 . 1 . . . . A 37 THR H . 34348 1 347 . 1 . 1 37 37 THR HA H 1 4.217 0.000 . 1 . . . . A 37 THR HA . 34348 1 348 . 1 . 1 37 37 THR HB H 1 3.952 0.000 . 1 . . . . A 37 THR HB . 34348 1 349 . 1 . 1 37 37 THR HG21 H 1 1.096 0.000 . 1 . . . . A 37 THR HG21 . 34348 1 350 . 1 . 1 37 37 THR HG22 H 1 1.096 0.000 . 1 . . . . A 37 THR HG22 . 34348 1 351 . 1 . 1 37 37 THR HG23 H 1 1.096 0.000 . 1 . . . . A 37 THR HG23 . 34348 1 352 . 1 . 1 37 37 THR CA C 13 60.609 0.000 . 1 . . . . A 37 THR CA . 34348 1 353 . 1 . 1 37 37 THR CB C 13 67.899 0.000 . 1 . . . . A 37 THR CB . 34348 1 354 . 1 . 1 37 37 THR N N 15 121.399 0.000 . 1 . . . . A 37 THR N . 34348 1 355 . 1 . 1 38 38 CYS H H 1 7.794 0.000 . 1 . . . . A 38 CYS H . 34348 1 356 . 1 . 1 38 38 CYS HA H 1 4.882 0.000 . 1 . . . . A 38 CYS HA . 34348 1 357 . 1 . 1 38 38 CYS HB2 H 1 2.444 0.000 . 1 . . . . A 38 CYS HB2 . 34348 1 358 . 1 . 1 38 38 CYS HB3 H 1 2.972 0.000 . 1 . . . . A 38 CYS HB3 . 34348 1 359 . 1 . 1 38 38 CYS CA C 13 52.383 0.000 . 1 . . . . A 38 CYS CA . 34348 1 360 . 1 . 1 38 38 CYS CB C 13 37.558 0.000 . 1 . . . . A 38 CYS CB . 34348 1 361 . 1 . 1 38 38 CYS N N 15 124.640 0.000 . 1 . . . . A 38 CYS N . 34348 1 362 . 1 . 1 39 39 CYS H H 1 9.335 0.000 . 1 . . . . A 39 CYS H . 34348 1 363 . 1 . 1 39 39 CYS HA H 1 5.313 0.000 . 1 . . . . A 39 CYS HA . 34348 1 364 . 1 . 1 39 39 CYS HB2 H 1 2.489 0.000 . 1 . . . . A 39 CYS HB2 . 34348 1 365 . 1 . 1 39 39 CYS HB3 H 1 1.873 0.000 . 1 . . . . A 39 CYS HB3 . 34348 1 366 . 1 . 1 39 39 CYS CA C 13 50.285 0.000 . 1 . . . . A 39 CYS CA . 34348 1 367 . 1 . 1 39 39 CYS CB C 13 38.674 0.000 . 1 . . . . A 39 CYS CB . 34348 1 368 . 1 . 1 39 39 CYS N N 15 128.409 0.000 . 1 . . . . A 39 CYS N . 34348 1 369 . 1 . 1 40 40 VAL H H 1 9.216 0.000 . 1 . . . . A 40 VAL H . 34348 1 370 . 1 . 1 40 40 VAL HA H 1 4.585 0.000 . 1 . . . . A 40 VAL HA . 34348 1 371 . 1 . 1 40 40 VAL HB H 1 1.967 0.000 . 1 . . . . A 40 VAL HB . 34348 1 372 . 1 . 1 40 40 VAL HG11 H 1 0.834 0.000 . 1 . . . . A 40 VAL HG11 . 34348 1 373 . 1 . 1 40 40 VAL HG12 H 1 0.834 0.000 . 1 . . . . A 40 VAL HG12 . 34348 1 374 . 1 . 1 40 40 VAL HG13 H 1 0.834 0.000 . 1 . . . . A 40 VAL HG13 . 34348 1 375 . 1 . 1 40 40 VAL HG21 H 1 0.882 0.000 . 1 . . . . A 40 VAL HG21 . 34348 1 376 . 1 . 1 40 40 VAL HG22 H 1 0.882 0.000 . 1 . . . . A 40 VAL HG22 . 34348 1 377 . 1 . 1 40 40 VAL HG23 H 1 0.882 0.000 . 1 . . . . A 40 VAL HG23 . 34348 1 378 . 1 . 1 40 40 VAL CA C 13 57.527 0.000 . 1 . . . . A 40 VAL CA . 34348 1 379 . 1 . 1 40 40 VAL CB C 13 32.858 0.000 . 1 . . . . A 40 VAL CB . 34348 1 380 . 1 . 1 40 40 VAL N N 15 118.684 0.000 . 1 . . . . A 40 VAL N . 34348 1 stop_ save_