################################### # 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 30785 _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 NOESY' . . . 30785 1 2 '2D 1H-1H TOCSY' . . . 30785 1 3 '2D 1H-15N HSQC' . . . 30785 1 4 '2D 1H-13C HSQC' . . . 30785 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 GLY HA2 H 1 4.049 0.000 . 2 . . . . A 1 GLY HA2 . 30785 1 2 . 1 . 1 1 1 GLY HA3 H 1 4.049 0.000 . 2 . . . . A 1 GLY HA3 . 30785 1 3 . 1 . 1 1 1 GLY CA C 13 43.789 0.000 . 1 . . . . A 1 GLY CA . 30785 1 4 . 1 . 1 2 2 VAL H H 1 8.836 0.002 . 1 . . . . A 2 VAL H . 30785 1 5 . 1 . 1 2 2 VAL HA H 1 4.338 0.001 . 1 . . . . A 2 VAL HA . 30785 1 6 . 1 . 1 2 2 VAL HB H 1 1.972 0.002 . 1 . . . . A 2 VAL HB . 30785 1 7 . 1 . 1 2 2 VAL HG11 H 1 0.893 0.001 . 2 . . . . A 2 VAL HG11 . 30785 1 8 . 1 . 1 2 2 VAL HG12 H 1 0.893 0.001 . 2 . . . . A 2 VAL HG12 . 30785 1 9 . 1 . 1 2 2 VAL HG13 H 1 0.893 0.001 . 2 . . . . A 2 VAL HG13 . 30785 1 10 . 1 . 1 2 2 VAL HG21 H 1 0.870 0.001 . 2 . . . . A 2 VAL HG21 . 30785 1 11 . 1 . 1 2 2 VAL HG22 H 1 0.870 0.001 . 2 . . . . A 2 VAL HG22 . 30785 1 12 . 1 . 1 2 2 VAL HG23 H 1 0.870 0.001 . 2 . . . . A 2 VAL HG23 . 30785 1 13 . 1 . 1 2 2 VAL CA C 13 61.117 0.000 . 1 . . . . A 2 VAL CA . 30785 1 14 . 1 . 1 2 2 VAL CB C 13 35.244 0.000 . 1 . . . . A 2 VAL CB . 30785 1 15 . 1 . 1 2 2 VAL CG1 C 13 21.018 0.000 . 1 . . . . A 2 VAL CG1 . 30785 1 16 . 1 . 1 2 2 VAL CG2 C 13 21.262 0.000 . 1 . . . . A 2 VAL CG2 . 30785 1 17 . 1 . 1 2 2 VAL N N 15 116.964 0.000 . 1 . . . . A 2 VAL N . 30785 1 18 . 1 . 1 3 3 ASP H H 1 8.697 0.002 . 1 . . . . A 3 ASP H . 30785 1 19 . 1 . 1 3 3 ASP HA H 1 4.630 0.000 . 1 . . . . A 3 ASP HA . 30785 1 20 . 1 . 1 3 3 ASP HB2 H 1 2.953 0.000 . 2 . . . . A 3 ASP HB2 . 30785 1 21 . 1 . 1 3 3 ASP HB3 H 1 2.598 0.001 . 2 . . . . A 3 ASP HB3 . 30785 1 22 . 1 . 1 3 3 ASP CA C 13 52.983 0.000 . 1 . . . . A 3 ASP CA . 30785 1 23 . 1 . 1 3 3 ASP CB C 13 38.421 0.010 . 1 . . . . A 3 ASP CB . 30785 1 24 . 1 . 1 3 3 ASP N N 15 123.396 0.000 . 1 . . . . A 3 ASP N . 30785 1 25 . 1 . 1 4 4 LYS H H 1 7.503 0.000 . 1 . . . . A 4 LYS H . 30785 1 26 . 1 . 1 4 4 LYS HA H 1 4.753 0.000 . 1 . . . . A 4 LYS HA . 30785 1 27 . 1 . 1 4 4 LYS HB2 H 1 1.728 0.000 . 2 . . . . A 4 LYS HB2 . 30785 1 28 . 1 . 1 4 4 LYS HB3 H 1 1.683 0.001 . 2 . . . . A 4 LYS HB3 . 30785 1 29 . 1 . 1 4 4 LYS HG2 H 1 1.177 0.001 . 2 . . . . A 4 LYS HG2 . 30785 1 30 . 1 . 1 4 4 LYS HG3 H 1 1.258 0.000 . 2 . . . . A 4 LYS HG3 . 30785 1 31 . 1 . 1 4 4 LYS HD2 H 1 1.597 0.001 . 2 . . . . A 4 LYS HD2 . 30785 1 32 . 1 . 1 4 4 LYS HD3 H 1 1.597 0.001 . 2 . . . . A 4 LYS HD3 . 30785 1 33 . 1 . 1 4 4 LYS CA C 13 53.662 0.000 . 1 . . . . A 4 LYS CA . 30785 1 34 . 1 . 1 4 4 LYS CB C 13 33.239 0.000 . 1 . . . . A 4 LYS CB . 30785 1 35 . 1 . 1 4 4 LYS CG C 13 24.015 0.006 . 1 . . . . A 4 LYS CG . 30785 1 36 . 1 . 1 4 4 LYS CD C 13 29.307 0.000 . 1 . . . . A 4 LYS CD . 30785 1 37 . 1 . 1 4 4 LYS N N 15 123.573 0.000 . 1 . . . . A 4 LYS N . 30785 1 38 . 1 . 1 5 5 PRO HA H 1 4.393 0.003 . 1 . . . . A 5 PRO HA . 30785 1 39 . 1 . 1 5 5 PRO HB2 H 1 2.316 0.002 . 2 . . . . A 5 PRO HB2 . 30785 1 40 . 1 . 1 5 5 PRO HB3 H 1 1.878 0.001 . 2 . . . . A 5 PRO HB3 . 30785 1 41 . 1 . 1 5 5 PRO HG2 H 1 2.076 0.001 . 2 . . . . A 5 PRO HG2 . 30785 1 42 . 1 . 1 5 5 PRO HG3 H 1 1.964 0.002 . 2 . . . . A 5 PRO HG3 . 30785 1 43 . 1 . 1 5 5 PRO HD2 H 1 3.801 0.001 . 2 . . . . A 5 PRO HD2 . 30785 1 44 . 1 . 1 5 5 PRO HD3 H 1 3.592 0.002 . 2 . . . . A 5 PRO HD3 . 30785 1 45 . 1 . 1 5 5 PRO CA C 13 63.669 0.000 . 1 . . . . A 5 PRO CA . 30785 1 46 . 1 . 1 5 5 PRO CB C 13 31.858 0.002 . 1 . . . . A 5 PRO CB . 30785 1 47 . 1 . 1 5 5 PRO CG C 13 27.647 0.006 . 1 . . . . A 5 PRO CG . 30785 1 48 . 1 . 1 5 5 PRO CD C 13 50.847 0.001 . 1 . . . . A 5 PRO CD . 30785 1 49 . 1 . 1 6 6 GLY H H 1 8.780 0.002 . 1 . . . . A 6 GLY H . 30785 1 50 . 1 . 1 6 6 GLY HA2 H 1 4.050 0.001 . 2 . . . . A 6 GLY HA2 . 30785 1 51 . 1 . 1 6 6 GLY HA3 H 1 3.806 0.000 . 2 . . . . A 6 GLY HA3 . 30785 1 52 . 1 . 1 6 6 GLY CA C 13 45.273 0.000 . 1 . . . . A 6 GLY CA . 30785 1 53 . 1 . 1 6 6 GLY N N 15 111.409 0.000 . 1 . . . . A 6 GLY N . 30785 1 54 . 1 . 1 7 7 CYS H H 1 7.717 0.001 . 1 . . . . A 7 CYS H . 30785 1 55 . 1 . 1 7 7 CYS HA H 1 4.359 0.002 . 1 . . . . A 7 CYS HA . 30785 1 56 . 1 . 1 7 7 CYS HB2 H 1 2.966 0.003 . 1 . . . . A 7 CYS HB2 . 30785 1 57 . 1 . 1 7 7 CYS HB3 H 1 3.115 0.001 . 1 . . . . A 7 CYS HB3 . 30785 1 58 . 1 . 1 7 7 CYS CA C 13 55.250 0.000 . 1 . . . . A 7 CYS CA . 30785 1 59 . 1 . 1 7 7 CYS CB C 13 40.886 0.019 . 1 . . . . A 7 CYS CB . 30785 1 60 . 1 . 1 7 7 CYS N N 15 118.156 0.000 . 1 . . . . A 7 CYS N . 30785 1 61 . 1 . 1 8 8 ARG H H 1 8.908 0.002 . 1 . . . . A 8 ARG H . 30785 1 62 . 1 . 1 8 8 ARG HA H 1 4.414 0.004 . 1 . . . . A 8 ARG HA . 30785 1 63 . 1 . 1 8 8 ARG HB2 H 1 1.695 0.001 . 1 . . . . A 8 ARG HB2 . 30785 1 64 . 1 . 1 8 8 ARG HB3 H 1 2.039 0.003 . 1 . . . . A 8 ARG HB3 . 30785 1 65 . 1 . 1 8 8 ARG HG2 H 1 1.839 0.002 . 2 . . . . A 8 ARG HG2 . 30785 1 66 . 1 . 1 8 8 ARG HG3 H 1 1.972 0.005 . 2 . . . . A 8 ARG HG3 . 30785 1 67 . 1 . 1 8 8 ARG HD2 H 1 3.257 0.002 . 2 . . . . A 8 ARG HD2 . 30785 1 68 . 1 . 1 8 8 ARG HD3 H 1 3.257 0.002 . 2 . . . . A 8 ARG HD3 . 30785 1 69 . 1 . 1 8 8 ARG HE H 1 7.173 0.002 . 1 . . . . A 8 ARG HE . 30785 1 70 . 1 . 1 8 8 ARG CA C 13 58.121 0.000 . 1 . . . . A 8 ARG CA . 30785 1 71 . 1 . 1 8 8 ARG CB C 13 31.722 0.006 . 1 . . . . A 8 ARG CB . 30785 1 72 . 1 . 1 8 8 ARG CG C 13 27.762 0.002 . 1 . . . . A 8 ARG CG . 30785 1 73 . 1 . 1 8 8 ARG CD C 13 43.218 0.000 . 1 . . . . A 8 ARG CD . 30785 1 74 . 1 . 1 8 8 ARG N N 15 121.764 0.000 . 1 . . . . A 8 ARG N . 30785 1 75 . 1 . 1 8 8 ARG NE N 15 85.993 0.000 . 1 . . . . A 8 ARG NE . 30785 1 76 . 1 . 1 9 9 TYR H H 1 8.205 0.003 . 1 . . . . A 9 TYR H . 30785 1 77 . 1 . 1 9 9 TYR HA H 1 4.199 0.001 . 1 . . . . A 9 TYR HA . 30785 1 78 . 1 . 1 9 9 TYR HB2 H 1 3.140 0.001 . 2 . . . . A 9 TYR HB2 . 30785 1 79 . 1 . 1 9 9 TYR HB3 H 1 2.828 0.002 . 2 . . . . A 9 TYR HB3 . 30785 1 80 . 1 . 1 9 9 TYR HD1 H 1 7.098 0.002 . 1 . . . . A 9 TYR HD1 . 30785 1 81 . 1 . 1 9 9 TYR HD2 H 1 7.098 0.002 . 1 . . . . A 9 TYR HD2 . 30785 1 82 . 1 . 1 9 9 TYR HE1 H 1 6.875 0.000 . 1 . . . . A 9 TYR HE1 . 30785 1 83 . 1 . 1 9 9 TYR HE2 H 1 6.875 0.000 . 1 . . . . A 9 TYR HE2 . 30785 1 84 . 1 . 1 9 9 TYR CA C 13 56.324 0.000 . 1 . . . . A 9 TYR CA . 30785 1 85 . 1 . 1 9 9 TYR CB C 13 39.064 0.005 . 1 . . . . A 9 TYR CB . 30785 1 86 . 1 . 1 9 9 TYR CD1 C 13 132.958 0.000 . 1 . . . . A 9 TYR CD1 . 30785 1 87 . 1 . 1 9 9 TYR CE1 C 13 118.922 0.000 . 1 . . . . A 9 TYR CE1 . 30785 1 88 . 1 . 1 9 9 TYR N N 15 121.603 0.000 . 1 . . . . A 9 TYR N . 30785 1 89 . 1 . 1 10 10 LEU H H 1 6.671 0.001 . 1 . . . . A 10 LEU H . 30785 1 90 . 1 . 1 10 10 LEU HA H 1 3.181 0.002 . 1 . . . . A 10 LEU HA . 30785 1 91 . 1 . 1 10 10 LEU HB2 H 1 0.575 0.003 . 1 . . . . A 10 LEU HB2 . 30785 1 92 . 1 . 1 10 10 LEU HB3 H 1 1.094 0.002 . 1 . . . . A 10 LEU HB3 . 30785 1 93 . 1 . 1 10 10 LEU HG H 1 0.476 0.002 . 1 . . . . A 10 LEU HG . 30785 1 94 . 1 . 1 10 10 LEU HD11 H 1 0.132 0.001 . 2 . . . . A 10 LEU HD11 . 30785 1 95 . 1 . 1 10 10 LEU HD12 H 1 0.132 0.001 . 2 . . . . A 10 LEU HD12 . 30785 1 96 . 1 . 1 10 10 LEU HD13 H 1 0.132 0.001 . 2 . . . . A 10 LEU HD13 . 30785 1 97 . 1 . 1 10 10 LEU HD21 H 1 0.070 0.002 . 2 . . . . A 10 LEU HD21 . 30785 1 98 . 1 . 1 10 10 LEU HD22 H 1 0.070 0.002 . 2 . . . . A 10 LEU HD22 . 30785 1 99 . 1 . 1 10 10 LEU HD23 H 1 0.070 0.002 . 2 . . . . A 10 LEU HD23 . 30785 1 100 . 1 . 1 10 10 LEU CA C 13 56.738 0.000 . 1 . . . . A 10 LEU CA . 30785 1 101 . 1 . 1 10 10 LEU CB C 13 42.327 0.006 . 1 . . . . A 10 LEU CB . 30785 1 102 . 1 . 1 10 10 LEU CG C 13 25.841 0.000 . 1 . . . . A 10 LEU CG . 30785 1 103 . 1 . 1 10 10 LEU CD1 C 13 22.854 0.000 . 1 . . . . A 10 LEU CD1 . 30785 1 104 . 1 . 1 10 10 LEU CD2 C 13 25.367 0.000 . 1 . . . . A 10 LEU CD2 . 30785 1 105 . 1 . 1 10 10 LEU N N 15 120.905 0.000 . 1 . . . . A 10 LEU N . 30785 1 106 . 1 . 1 11 11 PHE H H 1 8.941 0.002 . 1 . . . . A 11 PHE H . 30785 1 107 . 1 . 1 11 11 PHE HA H 1 4.020 0.001 . 1 . . . . A 11 PHE HA . 30785 1 108 . 1 . 1 11 11 PHE HB2 H 1 3.455 0.002 . 2 . . . . A 11 PHE HB2 . 30785 1 109 . 1 . 1 11 11 PHE HB3 H 1 3.240 0.005 . 2 . . . . A 11 PHE HB3 . 30785 1 110 . 1 . 1 11 11 PHE HD1 H 1 6.879 0.002 . 1 . . . . A 11 PHE HD1 . 30785 1 111 . 1 . 1 11 11 PHE HD2 H 1 6.879 0.002 . 1 . . . . A 11 PHE HD2 . 30785 1 112 . 1 . 1 11 11 PHE HE1 H 1 7.259 0.002 . 1 . . . . A 11 PHE HE1 . 30785 1 113 . 1 . 1 11 11 PHE HE2 H 1 7.259 0.002 . 1 . . . . A 11 PHE HE2 . 30785 1 114 . 1 . 1 11 11 PHE CA C 13 60.488 0.000 . 1 . . . . A 11 PHE CA . 30785 1 115 . 1 . 1 11 11 PHE CB C 13 36.227 0.004 . 1 . . . . A 11 PHE CB . 30785 1 116 . 1 . 1 11 11 PHE CD2 C 13 131.222 0.000 . 1 . . . . A 11 PHE CD2 . 30785 1 117 . 1 . 1 11 11 PHE CE1 C 13 129.672 0.000 . 1 . . . . A 11 PHE CE1 . 30785 1 118 . 1 . 1 11 11 PHE N N 15 117.945 0.000 . 1 . . . . A 11 PHE N . 30785 1 119 . 1 . 1 12 12 GLY H H 1 9.059 0.001 . 1 . . . . A 12 GLY H . 30785 1 120 . 1 . 1 12 12 GLY HA2 H 1 4.199 0.002 . 1 . . . . A 12 GLY HA2 . 30785 1 121 . 1 . 1 12 12 GLY HA3 H 1 3.499 0.003 . 1 . . . . A 12 GLY HA3 . 30785 1 122 . 1 . 1 12 12 GLY CA C 13 45.308 0.003 . 1 . . . . A 12 GLY CA . 30785 1 123 . 1 . 1 12 12 GLY N N 15 110.507 0.000 . 1 . . . . A 12 GLY N . 30785 1 124 . 1 . 1 13 13 GLY H H 1 8.682 0.002 . 1 . . . . A 13 GLY H . 30785 1 125 . 1 . 1 13 13 GLY HA2 H 1 4.341 0.003 . 2 . . . . A 13 GLY HA2 . 30785 1 126 . 1 . 1 13 13 GLY HA3 H 1 3.725 0.002 . 2 . . . . A 13 GLY HA3 . 30785 1 127 . 1 . 1 13 13 GLY CA C 13 46.067 0.009 . 1 . . . . A 13 GLY CA . 30785 1 128 . 1 . 1 13 13 GLY N N 15 110.191 0.000 . 1 . . . . A 13 GLY N . 30785 1 129 . 1 . 1 14 14 CYS H H 1 7.655 0.002 . 1 . . . . A 14 CYS H . 30785 1 130 . 1 . 1 14 14 CYS HA H 1 4.859 0.000 . 1 . . . . A 14 CYS HA . 30785 1 131 . 1 . 1 14 14 CYS HB2 H 1 3.129 0.001 . 1 . . . . A 14 CYS HB2 . 30785 1 132 . 1 . 1 14 14 CYS HB3 H 1 3.253 0.002 . 1 . . . . A 14 CYS HB3 . 30785 1 133 . 1 . 1 14 14 CYS CA C 13 53.869 0.000 . 1 . . . . A 14 CYS CA . 30785 1 134 . 1 . 1 14 14 CYS CB C 13 46.817 0.005 . 1 . . . . A 14 CYS CB . 30785 1 135 . 1 . 1 14 14 CYS N N 15 115.068 0.000 . 1 . . . . A 14 CYS N . 30785 1 136 . 1 . 1 15 15 LYS H H 1 9.254 0.001 . 1 . . . . A 15 LYS H . 30785 1 137 . 1 . 1 15 15 LYS HA H 1 4.448 0.000 . 1 . . . . A 15 LYS HA . 30785 1 138 . 1 . 1 15 15 LYS HB2 H 1 1.825 0.000 . 2 . . . . A 15 LYS HB2 . 30785 1 139 . 1 . 1 15 15 LYS HB3 H 1 1.747 0.002 . 2 . . . . A 15 LYS HB3 . 30785 1 140 . 1 . 1 15 15 LYS HG2 H 1 1.400 0.000 . 2 . . . . A 15 LYS HG2 . 30785 1 141 . 1 . 1 15 15 LYS HD2 H 1 1.668 0.001 . 2 . . . . A 15 LYS HD2 . 30785 1 142 . 1 . 1 15 15 LYS HD3 H 1 1.399 0.002 . 2 . . . . A 15 LYS HD3 . 30785 1 143 . 1 . 1 15 15 LYS HE2 H 1 2.958 0.002 . 2 . . . . A 15 LYS HE2 . 30785 1 144 . 1 . 1 15 15 LYS HE3 H 1 2.958 0.002 . 2 . . . . A 15 LYS HE3 . 30785 1 145 . 1 . 1 15 15 LYS CA C 13 56.379 0.000 . 1 . . . . A 15 LYS CA . 30785 1 146 . 1 . 1 15 15 LYS CB C 13 34.504 0.009 . 1 . . . . A 15 LYS CB . 30785 1 147 . 1 . 1 15 15 LYS CG C 13 24.763 0.000 . 1 . . . . A 15 LYS CG . 30785 1 148 . 1 . 1 15 15 LYS CD C 13 29.047 0.010 . 1 . . . . A 15 LYS CD . 30785 1 149 . 1 . 1 15 15 LYS CE C 13 42.187 0.000 . 1 . . . . A 15 LYS CE . 30785 1 150 . 1 . 1 15 15 LYS N N 15 117.205 0.000 . 1 . . . . A 15 LYS N . 30785 1 151 . 1 . 1 16 16 SER H H 1 8.070 0.002 . 1 . . . . A 16 SER H . 30785 1 152 . 1 . 1 16 16 SER HA H 1 4.663 0.008 . 1 . . . . A 16 SER HA . 30785 1 153 . 1 . 1 16 16 SER HB2 H 1 3.727 0.001 . 2 . . . . A 16 SER HB2 . 30785 1 154 . 1 . 1 16 16 SER HB3 H 1 3.973 0.001 . 2 . . . . A 16 SER HB3 . 30785 1 155 . 1 . 1 16 16 SER CA C 13 56.697 0.000 . 1 . . . . A 16 SER CA . 30785 1 156 . 1 . 1 16 16 SER CB C 13 65.991 0.009 . 1 . . . . A 16 SER CB . 30785 1 157 . 1 . 1 16 16 SER N N 15 114.581 0.000 . 1 . . . . A 16 SER N . 30785 1 158 . 1 . 1 17 17 ASP H H 1 9.185 0.001 . 1 . . . . A 17 ASP H . 30785 1 159 . 1 . 1 17 17 ASP HA H 1 4.086 0.002 . 1 . . . . A 17 ASP HA . 30785 1 160 . 1 . 1 17 17 ASP HB2 H 1 2.867 0.001 . 2 . . . . A 17 ASP HB2 . 30785 1 161 . 1 . 1 17 17 ASP HB3 H 1 2.712 0.001 . 2 . . . . A 17 ASP HB3 . 30785 1 162 . 1 . 1 17 17 ASP CA C 13 58.489 0.000 . 1 . . . . A 17 ASP CA . 30785 1 163 . 1 . 1 17 17 ASP CB C 13 40.494 0.013 . 1 . . . . A 17 ASP CB . 30785 1 164 . 1 . 1 17 17 ASP N N 15 123.664 0.000 . 1 . . . . A 17 ASP N . 30785 1 165 . 1 . 1 18 18 ASP H H 1 8.024 0.002 . 1 . . . . A 18 ASP H . 30785 1 166 . 1 . 1 18 18 ASP HA H 1 4.368 0.003 . 1 . . . . A 18 ASP HA . 30785 1 167 . 1 . 1 18 18 ASP HB2 H 1 2.646 0.001 . 2 . . . . A 18 ASP HB2 . 30785 1 168 . 1 . 1 18 18 ASP HB3 H 1 2.795 0.003 . 2 . . . . A 18 ASP HB3 . 30785 1 169 . 1 . 1 18 18 ASP CA C 13 55.078 0.000 . 1 . . . . A 18 ASP CA . 30785 1 170 . 1 . 1 18 18 ASP CB C 13 38.468 0.003 . 1 . . . . A 18 ASP CB . 30785 1 171 . 1 . 1 18 18 ASP N N 15 114.749 0.000 . 1 . . . . A 18 ASP N . 30785 1 172 . 1 . 1 19 19 ASP H H 1 7.638 0.004 . 1 . . . . A 19 ASP H . 30785 1 173 . 1 . 1 19 19 ASP HA H 1 4.546 0.000 . 1 . . . . A 19 ASP HA . 30785 1 174 . 1 . 1 19 19 ASP HB2 H 1 2.894 0.000 . 2 . . . . A 19 ASP HB2 . 30785 1 175 . 1 . 1 19 19 ASP HB3 H 1 2.852 0.000 . 2 . . . . A 19 ASP HB3 . 30785 1 176 . 1 . 1 19 19 ASP CA C 13 55.627 0.000 . 1 . . . . A 19 ASP CA . 30785 1 177 . 1 . 1 19 19 ASP N N 15 116.331 0.000 . 1 . . . . A 19 ASP N . 30785 1 178 . 1 . 1 20 20 CYS H H 1 7.692 0.002 . 1 . . . . A 20 CYS H . 30785 1 179 . 1 . 1 20 20 CYS HA H 1 5.104 0.003 . 1 . . . . A 20 CYS HA . 30785 1 180 . 1 . 1 20 20 CYS HB2 H 1 2.723 0.001 . 1 . . . . A 20 CYS HB2 . 30785 1 181 . 1 . 1 20 20 CYS HB3 H 1 3.084 0.005 . 1 . . . . A 20 CYS HB3 . 30785 1 182 . 1 . 1 20 20 CYS CA C 13 53.491 0.000 . 1 . . . . A 20 CYS CA . 30785 1 183 . 1 . 1 20 20 CYS CB C 13 41.569 0.009 . 1 . . . . A 20 CYS CB . 30785 1 184 . 1 . 1 20 20 CYS N N 15 118.383 0.000 . 1 . . . . A 20 CYS N . 30785 1 185 . 1 . 1 21 21 CYS H H 1 9.022 0.001 . 1 . . . . A 21 CYS H . 30785 1 186 . 1 . 1 21 21 CYS HA H 1 4.970 0.003 . 1 . . . . A 21 CYS HA . 30785 1 187 . 1 . 1 21 21 CYS HB2 H 1 2.030 0.001 . 1 . . . . A 21 CYS HB2 . 30785 1 188 . 1 . 1 21 21 CYS HB3 H 1 3.366 0.003 . 1 . . . . A 21 CYS HB3 . 30785 1 189 . 1 . 1 21 21 CYS CA C 13 53.586 0.000 . 1 . . . . A 21 CYS CA . 30785 1 190 . 1 . 1 21 21 CYS CB C 13 36.412 0.008 . 1 . . . . A 21 CYS CB . 30785 1 191 . 1 . 1 21 21 CYS N N 15 120.553 0.000 . 1 . . . . A 21 CYS N . 30785 1 192 . 1 . 1 22 22 PRO HA H 1 3.964 0.002 . 1 . . . . A 22 PRO HA . 30785 1 193 . 1 . 1 22 22 PRO HB2 H 1 2.325 0.002 . 1 . . . . A 22 PRO HB2 . 30785 1 194 . 1 . 1 22 22 PRO HB3 H 1 1.728 0.001 . 1 . . . . A 22 PRO HB3 . 30785 1 195 . 1 . 1 22 22 PRO HG2 H 1 2.112 0.001 . 2 . . . . A 22 PRO HG2 . 30785 1 196 . 1 . 1 22 22 PRO HG3 H 1 1.705 0.001 . 2 . . . . A 22 PRO HG3 . 30785 1 197 . 1 . 1 22 22 PRO HD2 H 1 3.710 0.003 . 1 . . . . A 22 PRO HD2 . 30785 1 198 . 1 . 1 22 22 PRO HD3 H 1 3.495 0.002 . 1 . . . . A 22 PRO HD3 . 30785 1 199 . 1 . 1 22 22 PRO CA C 13 65.192 0.000 . 1 . . . . A 22 PRO CA . 30785 1 200 . 1 . 1 22 22 PRO CB C 13 32.166 0.019 . 1 . . . . A 22 PRO CB . 30785 1 201 . 1 . 1 22 22 PRO CG C 13 28.922 0.008 . 1 . . . . A 22 PRO CG . 30785 1 202 . 1 . 1 22 22 PRO CD C 13 50.777 0.011 . 1 . . . . A 22 PRO CD . 30785 1 203 . 1 . 1 23 23 ARG H H 1 8.542 0.004 . 1 . . . . A 23 ARG H . 30785 1 204 . 1 . 1 23 23 ARG HA H 1 3.841 0.002 . 1 . . . . A 23 ARG HA . 30785 1 205 . 1 . 1 23 23 ARG HB2 H 1 2.653 0.003 . 2 . . . . A 23 ARG HB2 . 30785 1 206 . 1 . 1 23 23 ARG HB3 H 1 2.183 0.003 . 2 . . . . A 23 ARG HB3 . 30785 1 207 . 1 . 1 23 23 ARG HG2 H 1 1.565 0.002 . 2 . . . . A 23 ARG HG2 . 30785 1 208 . 1 . 1 23 23 ARG HG3 H 1 1.565 0.002 . 2 . . . . A 23 ARG HG3 . 30785 1 209 . 1 . 1 23 23 ARG HD2 H 1 3.149 0.005 . 2 . . . . A 23 ARG HD2 . 30785 1 210 . 1 . 1 23 23 ARG HD3 H 1 3.141 0.000 . 2 . . . . A 23 ARG HD3 . 30785 1 211 . 1 . 1 23 23 ARG HE H 1 7.024 0.002 . 1 . . . . A 23 ARG HE . 30785 1 212 . 1 . 1 23 23 ARG CA C 13 59.266 0.000 . 1 . . . . A 23 ARG CA . 30785 1 213 . 1 . 1 23 23 ARG CB C 13 28.079 0.001 . 1 . . . . A 23 ARG CB . 30785 1 214 . 1 . 1 23 23 ARG CG C 13 28.049 0.000 . 1 . . . . A 23 ARG CG . 30785 1 215 . 1 . 1 23 23 ARG CD C 13 43.689 0.000 . 1 . . . . A 23 ARG CD . 30785 1 216 . 1 . 1 23 23 ARG N N 15 112.427 0.000 . 1 . . . . A 23 ARG N . 30785 1 217 . 1 . 1 23 23 ARG NE N 15 84.589 0.000 . 1 . . . . A 23 ARG NE . 30785 1 218 . 1 . 1 24 24 LEU H H 1 7.808 0.002 . 1 . . . . A 24 LEU H . 30785 1 219 . 1 . 1 24 24 LEU HA H 1 4.909 0.003 . 1 . . . . A 24 LEU HA . 30785 1 220 . 1 . 1 24 24 LEU HB2 H 1 2.107 0.002 . 1 . . . . A 24 LEU HB2 . 30785 1 221 . 1 . 1 24 24 LEU HB3 H 1 0.964 0.002 . 1 . . . . A 24 LEU HB3 . 30785 1 222 . 1 . 1 24 24 LEU HG H 1 1.138 0.002 . 1 . . . . A 24 LEU HG . 30785 1 223 . 1 . 1 24 24 LEU HD11 H 1 0.488 0.002 . 1 . . . . A 24 LEU HD11 . 30785 1 224 . 1 . 1 24 24 LEU HD12 H 1 0.488 0.002 . 1 . . . . A 24 LEU HD12 . 30785 1 225 . 1 . 1 24 24 LEU HD13 H 1 0.488 0.002 . 1 . . . . A 24 LEU HD13 . 30785 1 226 . 1 . 1 24 24 LEU HD21 H 1 -0.365 0.003 . 1 . . . . A 24 LEU HD21 . 30785 1 227 . 1 . 1 24 24 LEU HD22 H 1 -0.365 0.003 . 1 . . . . A 24 LEU HD22 . 30785 1 228 . 1 . 1 24 24 LEU HD23 H 1 -0.365 0.003 . 1 . . . . A 24 LEU HD23 . 30785 1 229 . 1 . 1 24 24 LEU CA C 13 53.300 0.000 . 1 . . . . A 24 LEU CA . 30785 1 230 . 1 . 1 24 24 LEU CB C 13 44.566 0.012 . 1 . . . . A 24 LEU CB . 30785 1 231 . 1 . 1 24 24 LEU CG C 13 26.796 0.000 . 1 . . . . A 24 LEU CG . 30785 1 232 . 1 . 1 24 24 LEU CD1 C 13 27.177 0.000 . 1 . . . . A 24 LEU CD1 . 30785 1 233 . 1 . 1 24 24 LEU CD2 C 13 24.926 0.000 . 1 . . . . A 24 LEU CD2 . 30785 1 234 . 1 . 1 24 24 LEU N N 15 119.377 0.000 . 1 . . . . A 24 LEU N . 30785 1 235 . 1 . 1 25 25 GLY H H 1 8.991 0.001 . 1 . . . . A 25 GLY H . 30785 1 236 . 1 . 1 25 25 GLY HA2 H 1 4.312 0.005 . 2 . . . . A 25 GLY HA2 . 30785 1 237 . 1 . 1 25 25 GLY HA3 H 1 3.616 0.004 . 2 . . . . A 25 GLY HA3 . 30785 1 238 . 1 . 1 25 25 GLY CA C 13 43.409 0.000 . 1 . . . . A 25 GLY CA . 30785 1 239 . 1 . 1 25 25 GLY N N 15 106.459 0.000 . 1 . . . . A 25 GLY N . 30785 1 240 . 1 . 1 26 26 CYS H H 1 9.319 0.002 . 1 . . . . A 26 CYS H . 30785 1 241 . 1 . 1 26 26 CYS HA H 1 4.631 0.000 . 1 . . . . A 26 CYS HA . 30785 1 242 . 1 . 1 26 26 CYS HB2 H 1 2.726 0.001 . 2 . . . . A 26 CYS HB2 . 30785 1 243 . 1 . 1 26 26 CYS HB3 H 1 2.413 0.005 . 2 . . . . A 26 CYS HB3 . 30785 1 244 . 1 . 1 26 26 CYS CA C 13 55.346 0.000 . 1 . . . . A 26 CYS CA . 30785 1 245 . 1 . 1 26 26 CYS CB C 13 39.622 0.002 . 1 . . . . A 26 CYS CB . 30785 1 246 . 1 . 1 26 26 CYS N N 15 121.965 0.000 . 1 . . . . A 26 CYS N . 30785 1 247 . 1 . 1 27 27 LYS H H 1 8.475 0.003 . 1 . . . . A 27 LYS H . 30785 1 248 . 1 . 1 27 27 LYS HA H 1 4.316 0.001 . 1 . . . . A 27 LYS HA . 30785 1 249 . 1 . 1 27 27 LYS HB2 H 1 1.593 0.003 . 2 . . . . A 27 LYS HB2 . 30785 1 250 . 1 . 1 27 27 LYS HB3 H 1 1.218 0.002 . 2 . . . . A 27 LYS HB3 . 30785 1 251 . 1 . 1 27 27 LYS HG2 H 1 1.124 0.002 . 1 . . . . A 27 LYS HG2 . 30785 1 252 . 1 . 1 27 27 LYS HG3 H 1 1.070 0.000 . 1 . . . . A 27 LYS HG3 . 30785 1 253 . 1 . 1 27 27 LYS HD2 H 1 1.404 0.006 . 2 . . . . A 27 LYS HD2 . 30785 1 254 . 1 . 1 27 27 LYS HD3 H 1 1.348 0.000 . 2 . . . . A 27 LYS HD3 . 30785 1 255 . 1 . 1 27 27 LYS HE2 H 1 2.734 0.003 . 2 . . . . A 27 LYS HE2 . 30785 1 256 . 1 . 1 27 27 LYS HE3 H 1 2.847 0.001 . 2 . . . . A 27 LYS HE3 . 30785 1 257 . 1 . 1 27 27 LYS CA C 13 55.447 0.000 . 1 . . . . A 27 LYS CA . 30785 1 258 . 1 . 1 27 27 LYS CB C 13 34.481 0.003 . 1 . . . . A 27 LYS CB . 30785 1 259 . 1 . 1 27 27 LYS CG C 13 24.746 0.000 . 1 . . . . A 27 LYS CG . 30785 1 260 . 1 . 1 27 27 LYS CE C 13 42.248 0.000 . 1 . . . . A 27 LYS CE . 30785 1 261 . 1 . 1 27 27 LYS N N 15 130.021 0.000 . 1 . . . . A 27 LYS N . 30785 1 262 . 1 . 1 28 28 GLY H H 1 8.008 0.003 . 1 . . . . A 28 GLY H . 30785 1 263 . 1 . 1 28 28 GLY HA2 H 1 4.099 0.001 . 2 . . . . A 28 GLY HA2 . 30785 1 264 . 1 . 1 28 28 GLY HA3 H 1 3.761 0.000 . 2 . . . . A 28 GLY HA3 . 30785 1 265 . 1 . 1 28 28 GLY CA C 13 44.451 0.002 . 1 . . . . A 28 GLY CA . 30785 1 266 . 1 . 1 28 28 GLY N N 15 108.502 0.000 . 1 . . . . A 28 GLY N . 30785 1 267 . 1 . 1 29 29 LYS H H 1 8.437 0.002 . 1 . . . . A 29 LYS H . 30785 1 268 . 1 . 1 29 29 LYS HA H 1 4.245 0.001 . 1 . . . . A 29 LYS HA . 30785 1 269 . 1 . 1 29 29 LYS HB2 H 1 1.897 0.002 . 2 . . . . A 29 LYS HB2 . 30785 1 270 . 1 . 1 29 29 LYS HB3 H 1 1.725 0.006 . 2 . . . . A 29 LYS HB3 . 30785 1 271 . 1 . 1 29 29 LYS HG2 H 1 1.431 0.002 . 2 . . . . A 29 LYS HG2 . 30785 1 272 . 1 . 1 29 29 LYS HG3 H 1 1.373 0.000 . 2 . . . . A 29 LYS HG3 . 30785 1 273 . 1 . 1 29 29 LYS HD2 H 1 1.682 0.002 . 2 . . . . A 29 LYS HD2 . 30785 1 274 . 1 . 1 29 29 LYS HD3 H 1 1.628 0.000 . 2 . . . . A 29 LYS HD3 . 30785 1 275 . 1 . 1 29 29 LYS HE2 H 1 2.983 0.003 . 2 . . . . A 29 LYS HE2 . 30785 1 276 . 1 . 1 29 29 LYS HE3 H 1 2.930 0.000 . 2 . . . . A 29 LYS HE3 . 30785 1 277 . 1 . 1 29 29 LYS CA C 13 56.445 0.000 . 1 . . . . A 29 LYS CA . 30785 1 278 . 1 . 1 29 29 LYS CB C 13 32.254 0.001 . 1 . . . . A 29 LYS CB . 30785 1 279 . 1 . 1 29 29 LYS CG C 13 24.820 0.002 . 1 . . . . A 29 LYS CG . 30785 1 280 . 1 . 1 29 29 LYS CD C 13 29.151 0.000 . 1 . . . . A 29 LYS CD . 30785 1 281 . 1 . 1 29 29 LYS CE C 13 42.238 0.000 . 1 . . . . A 29 LYS CE . 30785 1 282 . 1 . 1 29 29 LYS N N 15 120.827 0.000 . 1 . . . . A 29 LYS N . 30785 1 283 . 1 . 1 30 30 GLY H H 1 8.439 0.002 . 1 . . . . A 30 GLY H . 30785 1 284 . 1 . 1 30 30 GLY HA2 H 1 3.521 0.004 . 2 . . . . A 30 GLY HA2 . 30785 1 285 . 1 . 1 30 30 GLY HA3 H 1 4.101 0.003 . 2 . . . . A 30 GLY HA3 . 30785 1 286 . 1 . 1 30 30 GLY CA C 13 45.783 0.002 . 1 . . . . A 30 GLY CA . 30785 1 287 . 1 . 1 30 30 GLY N N 15 110.938 0.000 . 1 . . . . A 30 GLY N . 30785 1 288 . 1 . 1 31 31 HIS H H 1 7.946 0.003 . 1 . . . . A 31 HIS H . 30785 1 289 . 1 . 1 31 31 HIS HA H 1 4.413 0.002 . 1 . . . . A 31 HIS HA . 30785 1 290 . 1 . 1 31 31 HIS HB2 H 1 3.088 0.001 . 2 . . . . A 31 HIS HB2 . 30785 1 291 . 1 . 1 31 31 HIS HB3 H 1 3.088 0.001 . 2 . . . . A 31 HIS HB3 . 30785 1 292 . 1 . 1 31 31 HIS HD2 H 1 7.276 0.003 . 1 . . . . A 31 HIS HD2 . 30785 1 293 . 1 . 1 31 31 HIS HE1 H 1 8.585 0.002 . 1 . . . . A 31 HIS HE1 . 30785 1 294 . 1 . 1 31 31 HIS CA C 13 55.668 0.000 . 1 . . . . A 31 HIS CA . 30785 1 295 . 1 . 1 31 31 HIS CB C 13 27.723 0.000 . 1 . . . . A 31 HIS CB . 30785 1 296 . 1 . 1 31 31 HIS CD2 C 13 119.979 0.000 . 1 . . . . A 31 HIS CD2 . 30785 1 297 . 1 . 1 31 31 HIS CE1 C 13 136.424 0.000 . 1 . . . . A 31 HIS CE1 . 30785 1 298 . 1 . 1 31 31 HIS N N 15 119.718 0.000 . 1 . . . . A 31 HIS N . 30785 1 299 . 1 . 1 32 32 ASP H H 1 8.157 0.002 . 1 . . . . A 32 ASP H . 30785 1 300 . 1 . 1 32 32 ASP HA H 1 4.913 0.000 . 1 . . . . A 32 ASP HA . 30785 1 301 . 1 . 1 32 32 ASP HB2 H 1 2.868 0.002 . 2 . . . . A 32 ASP HB2 . 30785 1 302 . 1 . 1 32 32 ASP HB3 H 1 2.868 0.002 . 2 . . . . A 32 ASP HB3 . 30785 1 303 . 1 . 1 32 32 ASP CA C 13 53.869 0.000 . 1 . . . . A 32 ASP CA . 30785 1 304 . 1 . 1 32 32 ASP CB C 13 38.787 0.000 . 1 . . . . A 32 ASP CB . 30785 1 305 . 1 . 1 32 32 ASP N N 15 119.992 0.000 . 1 . . . . A 32 ASP N . 30785 1 306 . 1 . 1 33 33 TYR H H 1 7.952 0.003 . 1 . . . . A 33 TYR H . 30785 1 307 . 1 . 1 33 33 TYR HA H 1 5.441 0.001 . 1 . . . . A 33 TYR HA . 30785 1 308 . 1 . 1 33 33 TYR HB2 H 1 2.577 0.002 . 2 . . . . A 33 TYR HB2 . 30785 1 309 . 1 . 1 33 33 TYR HB3 H 1 2.785 0.002 . 2 . . . . A 33 TYR HB3 . 30785 1 310 . 1 . 1 33 33 TYR HD1 H 1 6.922 0.000 . 1 . . . . A 33 TYR HD1 . 30785 1 311 . 1 . 1 33 33 TYR HD2 H 1 6.922 0.000 . 1 . . . . A 33 TYR HD2 . 30785 1 312 . 1 . 1 33 33 TYR HE1 H 1 6.757 0.000 . 1 . . . . A 33 TYR HE1 . 30785 1 313 . 1 . 1 33 33 TYR HE2 H 1 6.757 0.000 . 1 . . . . A 33 TYR HE2 . 30785 1 314 . 1 . 1 33 33 TYR CA C 13 56.207 0.000 . 1 . . . . A 33 TYR CA . 30785 1 315 . 1 . 1 33 33 TYR CB C 13 41.726 0.005 . 1 . . . . A 33 TYR CB . 30785 1 316 . 1 . 1 33 33 TYR CD2 C 13 134.249 0.000 . 1 . . . . A 33 TYR CD2 . 30785 1 317 . 1 . 1 33 33 TYR CE2 C 13 118.190 0.000 . 1 . . . . A 33 TYR CE2 . 30785 1 318 . 1 . 1 33 33 TYR N N 15 116.871 0.000 . 1 . . . . A 33 TYR N . 30785 1 319 . 1 . 1 34 34 CYS H H 1 9.025 0.003 . 1 . . . . A 34 CYS H . 30785 1 320 . 1 . 1 34 34 CYS HA H 1 4.927 0.005 . 1 . . . . A 34 CYS HA . 30785 1 321 . 1 . 1 34 34 CYS HB2 H 1 2.901 0.001 . 1 . . . . A 34 CYS HB2 . 30785 1 322 . 1 . 1 34 34 CYS HB3 H 1 2.420 0.002 . 1 . . . . A 34 CYS HB3 . 30785 1 323 . 1 . 1 34 34 CYS CA C 13 55.744 0.000 . 1 . . . . A 34 CYS CA . 30785 1 324 . 1 . 1 34 34 CYS CB C 13 40.597 0.004 . 1 . . . . A 34 CYS CB . 30785 1 325 . 1 . 1 34 34 CYS N N 15 119.864 0.000 . 1 . . . . A 34 CYS N . 30785 1 326 . 1 . 1 35 35 ALA H H 1 9.613 0.001 . 1 . . . . A 35 ALA H . 30785 1 327 . 1 . 1 35 35 ALA HA H 1 4.409 0.002 . 1 . . . . A 35 ALA HA . 30785 1 328 . 1 . 1 35 35 ALA HB1 H 1 1.281 0.007 . 1 . . . . A 35 ALA HB1 . 30785 1 329 . 1 . 1 35 35 ALA HB2 H 1 1.281 0.007 . 1 . . . . A 35 ALA HB2 . 30785 1 330 . 1 . 1 35 35 ALA HB3 H 1 1.281 0.007 . 1 . . . . A 35 ALA HB3 . 30785 1 331 . 1 . 1 35 35 ALA CA C 13 50.700 0.000 . 1 . . . . A 35 ALA CA . 30785 1 332 . 1 . 1 35 35 ALA CB C 13 19.204 0.000 . 1 . . . . A 35 ALA CB . 30785 1 333 . 1 . 1 35 35 ALA N N 15 128.530 0.000 . 1 . . . . A 35 ALA N . 30785 1 334 . 1 . 1 36 36 TRP H H 1 7.568 0.007 . 1 . . . . A 36 TRP H . 30785 1 335 . 1 . 1 36 36 TRP HA H 1 4.785 0.000 . 1 . . . . A 36 TRP HA . 30785 1 336 . 1 . 1 36 36 TRP HB2 H 1 3.053 0.002 . 1 . . . . A 36 TRP HB2 . 30785 1 337 . 1 . 1 36 36 TRP HB3 H 1 3.425 0.001 . 1 . . . . A 36 TRP HB3 . 30785 1 338 . 1 . 1 36 36 TRP HD1 H 1 7.310 0.001 . 1 . . . . A 36 TRP HD1 . 30785 1 339 . 1 . 1 36 36 TRP HE1 H 1 10.099 0.002 . 1 . . . . A 36 TRP HE1 . 30785 1 340 . 1 . 1 36 36 TRP HE3 H 1 7.665 0.003 . 1 . . . . A 36 TRP HE3 . 30785 1 341 . 1 . 1 36 36 TRP HZ2 H 1 7.403 0.003 . 1 . . . . A 36 TRP HZ2 . 30785 1 342 . 1 . 1 36 36 TRP HZ3 H 1 6.969 0.001 . 1 . . . . A 36 TRP HZ3 . 30785 1 343 . 1 . 1 36 36 TRP HH2 H 1 7.227 0.001 . 1 . . . . A 36 TRP HH2 . 30785 1 344 . 1 . 1 36 36 TRP CA C 13 57.945 0.000 . 1 . . . . A 36 TRP CA . 30785 1 345 . 1 . 1 36 36 TRP CB C 13 29.847 0.002 . 1 . . . . A 36 TRP CB . 30785 1 346 . 1 . 1 36 36 TRP CD1 C 13 128.005 0.000 . 1 . . . . A 36 TRP CD1 . 30785 1 347 . 1 . 1 36 36 TRP CE3 C 13 121.630 0.000 . 1 . . . . A 36 TRP CE3 . 30785 1 348 . 1 . 1 36 36 TRP CZ2 C 13 114.559 0.000 . 1 . . . . A 36 TRP CZ2 . 30785 1 349 . 1 . 1 36 36 TRP CZ3 C 13 121.704 0.000 . 1 . . . . A 36 TRP CZ3 . 30785 1 350 . 1 . 1 36 36 TRP CH2 C 13 124.573 0.000 . 1 . . . . A 36 TRP CH2 . 30785 1 351 . 1 . 1 36 36 TRP N N 15 120.539 0.000 . 1 . . . . A 36 TRP N . 30785 1 352 . 1 . 1 36 36 TRP NE1 N 15 129.616 0.000 . 1 . . . . A 36 TRP NE1 . 30785 1 353 . 1 . 1 37 37 ASP H H 1 8.845 0.001 . 1 . . . . A 37 ASP H . 30785 1 354 . 1 . 1 37 37 ASP HA H 1 4.624 0.000 . 1 . . . . A 37 ASP HA . 30785 1 355 . 1 . 1 37 37 ASP HB2 H 1 2.632 0.000 . 2 . . . . A 37 ASP HB2 . 30785 1 356 . 1 . 1 37 37 ASP HB3 H 1 2.711 0.000 . 2 . . . . A 37 ASP HB3 . 30785 1 357 . 1 . 1 37 37 ASP CA C 13 53.683 0.000 . 1 . . . . A 37 ASP CA . 30785 1 358 . 1 . 1 37 37 ASP CB C 13 39.433 0.004 . 1 . . . . A 37 ASP CB . 30785 1 359 . 1 . 1 37 37 ASP N N 15 122.869 0.000 . 1 . . . . A 37 ASP N . 30785 1 360 . 1 . 1 38 38 GLY H H 1 8.198 0.003 . 1 . . . . A 38 GLY H . 30785 1 361 . 1 . 1 38 38 GLY HA2 H 1 3.965 0.000 . 2 . . . . A 38 GLY HA2 . 30785 1 362 . 1 . 1 38 38 GLY HA3 H 1 3.751 0.001 . 2 . . . . A 38 GLY HA3 . 30785 1 363 . 1 . 1 38 38 GLY CA C 13 45.470 0.000 . 1 . . . . A 38 GLY CA . 30785 1 364 . 1 . 1 38 38 GLY N N 15 109.141 0.000 . 1 . . . . A 38 GLY N . 30785 1 365 . 1 . 1 39 39 THR H H 1 7.966 0.001 . 1 . . . . A 39 THR H . 30785 1 366 . 1 . 1 39 39 THR HA H 1 4.308 0.001 . 1 . . . . A 39 THR HA . 30785 1 367 . 1 . 1 39 39 THR HB H 1 4.203 0.001 . 1 . . . . A 39 THR HB . 30785 1 368 . 1 . 1 39 39 THR HG21 H 1 1.105 0.002 . 1 . . . . A 39 THR HG21 . 30785 1 369 . 1 . 1 39 39 THR HG22 H 1 1.105 0.002 . 1 . . . . A 39 THR HG22 . 30785 1 370 . 1 . 1 39 39 THR HG23 H 1 1.105 0.002 . 1 . . . . A 39 THR HG23 . 30785 1 371 . 1 . 1 39 39 THR CA C 13 61.959 0.000 . 1 . . . . A 39 THR CA . 30785 1 372 . 1 . 1 39 39 THR CB C 13 70.071 0.000 . 1 . . . . A 39 THR CB . 30785 1 373 . 1 . 1 39 39 THR CG2 C 13 21.575 0.000 . 1 . . . . A 39 THR CG2 . 30785 1 374 . 1 . 1 39 39 THR N N 15 112.605 0.000 . 1 . . . . A 39 THR N . 30785 1 375 . 1 . 1 40 40 PHE H H 1 8.085 0.001 . 1 . . . . A 40 PHE H . 30785 1 376 . 1 . 1 40 40 PHE HA H 1 4.660 0.001 . 1 . . . . A 40 PHE HA . 30785 1 377 . 1 . 1 40 40 PHE HB2 H 1 3.075 0.001 . 2 . . . . A 40 PHE HB2 . 30785 1 378 . 1 . 1 40 40 PHE HB3 H 1 2.969 0.002 . 2 . . . . A 40 PHE HB3 . 30785 1 379 . 1 . 1 40 40 PHE HD1 H 1 7.095 0.000 . 1 . . . . A 40 PHE HD1 . 30785 1 380 . 1 . 1 40 40 PHE HD2 H 1 7.095 0.000 . 1 . . . . A 40 PHE HD2 . 30785 1 381 . 1 . 1 40 40 PHE HE1 H 1 7.186 0.000 . 1 . . . . A 40 PHE HE1 . 30785 1 382 . 1 . 1 40 40 PHE HE2 H 1 7.186 0.000 . 1 . . . . A 40 PHE HE2 . 30785 1 383 . 1 . 1 40 40 PHE CA C 13 57.444 0.000 . 1 . . . . A 40 PHE CA . 30785 1 384 . 1 . 1 40 40 PHE CB C 13 40.041 0.004 . 1 . . . . A 40 PHE CB . 30785 1 385 . 1 . 1 40 40 PHE CD1 C 13 132.003 0.000 . 1 . . . . A 40 PHE CD1 . 30785 1 386 . 1 . 1 40 40 PHE CE1 C 13 131.398 0.000 . 1 . . . . A 40 PHE CE1 . 30785 1 387 . 1 . 1 40 40 PHE N N 15 121.268 0.000 . 1 . . . . A 40 PHE N . 30785 1 388 . 1 . 1 41 41 SER H H 1 8.169 0.002 . 1 . . . . A 41 SER H . 30785 1 389 . 1 . 1 41 41 SER HA H 1 4.326 0.003 . 1 . . . . A 41 SER HA . 30785 1 390 . 1 . 1 41 41 SER HB2 H 1 3.752 0.001 . 2 . . . . A 41 SER HB2 . 30785 1 391 . 1 . 1 41 41 SER HB3 H 1 3.752 0.001 . 2 . . . . A 41 SER HB3 . 30785 1 392 . 1 . 1 41 41 SER CA C 13 57.969 0.000 . 1 . . . . A 41 SER CA . 30785 1 393 . 1 . 1 41 41 SER CB C 13 64.165 0.000 . 1 . . . . A 41 SER CB . 30785 1 394 . 1 . 1 41 41 SER N N 15 116.923 0.000 . 1 . . . . A 41 SER N . 30785 1 395 . 1 . 1 42 42 ASP H H 1 8.055 0.002 . 1 . . . . A 42 ASP H . 30785 1 396 . 1 . 1 42 42 ASP HA H 1 4.499 0.003 . 1 . . . . A 42 ASP HA . 30785 1 397 . 1 . 1 42 42 ASP HB2 H 1 2.793 0.001 . 2 . . . . A 42 ASP HB2 . 30785 1 398 . 1 . 1 42 42 ASP HB3 H 1 2.791 0.000 . 2 . . . . A 42 ASP HB3 . 30785 1 399 . 1 . 1 42 42 ASP CA C 13 53.718 0.000 . 1 . . . . A 42 ASP CA . 30785 1 400 . 1 . 1 42 42 ASP CB C 13 39.742 0.000 . 1 . . . . A 42 ASP CB . 30785 1 401 . 1 . 1 42 42 ASP N N 15 124.541 0.000 . 1 . . . . A 42 ASP N . 30785 1 stop_ save_