################################### # 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 30318 _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-15N HSQC' . . . 30318 1 2 '2D 1H-13C HSQC' . . . 30318 1 3 '2D 1H-1H TOCSY' . . . 30318 1 4 '2D 1H-1H NOESY' . . . 30318 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.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 3.721 0.000 . 2 . . . . A 1 GLY HA2 . 30318 1 2 . 1 1 1 1 GLY HA3 H 1 3.721 0.000 . 2 . . . . A 1 GLY HA3 . 30318 1 3 . 1 1 1 1 GLY CA C 13 43.285 0.000 . 1 . . . . A 1 GLY CA . 30318 1 4 . 1 1 2 2 ASP H H 1 8.333 0.001 . 1 . . . . A 2 ASP H . 30318 1 5 . 1 1 2 2 ASP HA H 1 4.520 0.000 . 1 . . . . A 2 ASP HA . 30318 1 6 . 1 1 2 2 ASP HB2 H 1 2.331 0.002 . 2 . . . . A 2 ASP HB2 . 30318 1 7 . 1 1 2 2 ASP HB3 H 1 2.550 0.000 . 2 . . . . A 2 ASP HB3 . 30318 1 8 . 1 1 2 2 ASP CA C 13 53.916 0.000 . 1 . . . . A 2 ASP CA . 30318 1 9 . 1 1 2 2 ASP CB C 13 41.565 0.005 . 1 . . . . A 2 ASP CB . 30318 1 10 . 1 1 2 2 ASP N N 15 120.857 0.000 . 1 . . . . A 2 ASP N . 30318 1 11 . 1 1 3 3 CYS H H 1 8.080 0.000 . 1 . . . . A 3 CYS H . 30318 1 12 . 1 1 3 3 CYS HA H 1 4.485 0.000 . 1 . . . . A 3 CYS HA . 30318 1 13 . 1 1 3 3 CYS HB2 H 1 2.965 0.000 . 2 . . . . A 3 CYS HB2 . 30318 1 14 . 1 1 3 3 CYS HB3 H 1 2.802 0.000 . 2 . . . . A 3 CYS HB3 . 30318 1 15 . 1 1 3 3 CYS CA C 13 54.322 0.000 . 1 . . . . A 3 CYS CA . 30318 1 16 . 1 1 3 3 CYS CB C 13 42.044 0.001 . 1 . . . . A 3 CYS CB . 30318 1 17 . 1 1 3 3 CYS N N 15 115.080 0.000 . 1 . . . . A 3 CYS N . 30318 1 18 . 1 1 4 4 HIS H H 1 8.662 0.001 . 1 . . . . A 4 HIS H . 30318 1 19 . 1 1 4 4 HIS HA H 1 4.487 0.000 . 1 . . . . A 4 HIS HA . 30318 1 20 . 1 1 4 4 HIS HB2 H 1 2.919 0.000 . 1 . . . . A 4 HIS HB2 . 30318 1 21 . 1 1 4 4 HIS HB3 H 1 2.771 0.001 . 1 . . . . A 4 HIS HB3 . 30318 1 22 . 1 1 4 4 HIS HD2 H 1 6.877 0.000 . 1 . . . . A 4 HIS HD2 . 30318 1 23 . 1 1 4 4 HIS HE1 H 1 8.406 0.001 . 1 . . . . A 4 HIS HE1 . 30318 1 24 . 1 1 4 4 HIS CA C 13 55.713 0.000 . 1 . . . . A 4 HIS CA . 30318 1 25 . 1 1 4 4 HIS CB C 13 31.028 0.004 . 1 . . . . A 4 HIS CB . 30318 1 26 . 1 1 4 4 HIS CD2 C 13 119.585 0.000 . 1 . . . . A 4 HIS CD2 . 30318 1 27 . 1 1 4 4 HIS CE1 C 13 138.521 0.000 . 1 . . . . A 4 HIS CE1 . 30318 1 28 . 1 1 4 4 HIS N N 15 126.608 0.000 . 1 . . . . A 4 HIS N . 30318 1 29 . 1 1 5 5 LYS H H 1 8.303 0.001 . 1 . . . . A 5 LYS H . 30318 1 30 . 1 1 5 5 LYS HA H 1 3.944 0.000 . 1 . . . . A 5 LYS HA . 30318 1 31 . 1 1 5 5 LYS HB2 H 1 2.000 0.001 . 2 . . . . A 5 LYS HB2 . 30318 1 32 . 1 1 5 5 LYS HB3 H 1 1.652 0.001 . 2 . . . . A 5 LYS HB3 . 30318 1 33 . 1 1 5 5 LYS HG2 H 1 1.504 0.001 . 2 . . . . A 5 LYS HG2 . 30318 1 34 . 1 1 5 5 LYS HG3 H 1 1.367 0.002 . 2 . . . . A 5 LYS HG3 . 30318 1 35 . 1 1 5 5 LYS HD2 H 1 1.652 0.001 . 2 . . . . A 5 LYS HD2 . 30318 1 36 . 1 1 5 5 LYS HD3 H 1 1.652 0.001 . 2 . . . . A 5 LYS HD3 . 30318 1 37 . 1 1 5 5 LYS HE2 H 1 2.980 0.001 . 2 . . . . A 5 LYS HE2 . 30318 1 38 . 1 1 5 5 LYS HE3 H 1 2.980 0.001 . 2 . . . . A 5 LYS HE3 . 30318 1 39 . 1 1 5 5 LYS CA C 13 55.362 0.000 . 1 . . . . A 5 LYS CA . 30318 1 40 . 1 1 5 5 LYS CB C 13 33.645 0.023 . 1 . . . . A 5 LYS CB . 30318 1 41 . 1 1 5 5 LYS CG C 13 25.689 0.004 . 1 . . . . A 5 LYS CG . 30318 1 42 . 1 1 5 5 LYS CD C 13 29.238 0.000 . 1 . . . . A 5 LYS CD . 30318 1 43 . 1 1 5 5 LYS CE C 13 42.205 0.000 . 1 . . . . A 5 LYS CE . 30318 1 44 . 1 1 5 5 LYS N N 15 122.632 0.000 . 1 . . . . A 5 LYS N . 30318 1 45 . 1 1 6 6 PHE H H 1 8.152 0.001 . 1 . . . . A 6 PHE H . 30318 1 46 . 1 1 6 6 PHE HA H 1 3.664 0.002 . 1 . . . . A 6 PHE HA . 30318 1 47 . 1 1 6 6 PHE HB2 H 1 2.693 0.002 . 1 . . . . A 6 PHE HB2 . 30318 1 48 . 1 1 6 6 PHE HB3 H 1 2.587 0.002 . 1 . . . . A 6 PHE HB3 . 30318 1 49 . 1 1 6 6 PHE HD1 H 1 6.841 0.001 . 1 . . . . A 6 PHE HD1 . 30318 1 50 . 1 1 6 6 PHE HD2 H 1 6.841 0.001 . 1 . . . . A 6 PHE HD2 . 30318 1 51 . 1 1 6 6 PHE HE1 H 1 7.394 0.000 . 1 . . . . A 6 PHE HE1 . 30318 1 52 . 1 1 6 6 PHE HE2 H 1 7.394 0.000 . 1 . . . . A 6 PHE HE2 . 30318 1 53 . 1 1 6 6 PHE HZ H 1 7.346 0.000 . 1 . . . . A 6 PHE HZ . 30318 1 54 . 1 1 6 6 PHE CA C 13 59.382 0.000 . 1 . . . . A 6 PHE CA . 30318 1 55 . 1 1 6 6 PHE CB C 13 38.923 0.004 . 1 . . . . A 6 PHE CB . 30318 1 56 . 1 1 6 6 PHE CD1 C 13 131.282 0.000 . 1 . . . . A 6 PHE CD1 . 30318 1 57 . 1 1 6 6 PHE CE1 C 13 131.657 0.000 . 1 . . . . A 6 PHE CE1 . 30318 1 58 . 1 1 6 6 PHE CZ C 13 130.174 0.000 . 1 . . . . A 6 PHE CZ . 30318 1 59 . 1 1 6 6 PHE N N 15 119.427 0.000 . 1 . . . . A 6 PHE N . 30318 1 60 . 1 1 7 7 LEU H H 1 8.727 0.001 . 1 . . . . A 7 LEU H . 30318 1 61 . 1 1 7 7 LEU HA H 1 3.069 0.001 . 1 . . . . A 7 LEU HA . 30318 1 62 . 1 1 7 7 LEU HB2 H 1 1.478 0.002 . 2 . . . . A 7 LEU HB2 . 30318 1 63 . 1 1 7 7 LEU HB3 H 1 0.711 0.001 . 2 . . . . A 7 LEU HB3 . 30318 1 64 . 1 1 7 7 LEU HG H 1 -0.575 0.002 . 1 . . . . A 7 LEU HG . 30318 1 65 . 1 1 7 7 LEU HD11 H 1 -0.321 0.001 . 1 . . . . A 7 LEU HD11 . 30318 1 66 . 1 1 7 7 LEU HD12 H 1 -0.321 0.001 . 1 . . . . A 7 LEU HD12 . 30318 1 67 . 1 1 7 7 LEU HD13 H 1 -0.321 0.001 . 1 . . . . A 7 LEU HD13 . 30318 1 68 . 1 1 7 7 LEU HD21 H 1 0.143 0.002 . 1 . . . . A 7 LEU HD21 . 30318 1 69 . 1 1 7 7 LEU HD22 H 1 0.143 0.002 . 1 . . . . A 7 LEU HD22 . 30318 1 70 . 1 1 7 7 LEU HD23 H 1 0.143 0.002 . 1 . . . . A 7 LEU HD23 . 30318 1 71 . 1 1 7 7 LEU CA C 13 57.218 0.000 . 1 . . . . A 7 LEU CA . 30318 1 72 . 1 1 7 7 LEU CB C 13 38.113 0.003 . 1 . . . . A 7 LEU CB . 30318 1 73 . 1 1 7 7 LEU CG C 13 25.145 0.000 . 1 . . . . A 7 LEU CG . 30318 1 74 . 1 1 7 7 LEU CD1 C 13 21.800 0.000 . 1 . . . . A 7 LEU CD1 . 30318 1 75 . 1 1 7 7 LEU CD2 C 13 24.942 0.000 . 1 . . . . A 7 LEU CD2 . 30318 1 76 . 1 1 7 7 LEU N N 15 121.441 0.000 . 1 . . . . A 7 LEU N . 30318 1 77 . 1 1 8 8 GLY H H 1 9.017 0.001 . 1 . . . . A 8 GLY H . 30318 1 78 . 1 1 8 8 GLY HA2 H 1 3.986 0.000 . 1 . . . . A 8 GLY HA2 . 30318 1 79 . 1 1 8 8 GLY HA3 H 1 3.399 0.001 . 1 . . . . A 8 GLY HA3 . 30318 1 80 . 1 1 8 8 GLY CA C 13 44.768 0.000 . 1 . . . . A 8 GLY CA . 30318 1 81 . 1 1 8 8 GLY N N 15 110.584 0.000 . 1 . . . . A 8 GLY N . 30318 1 82 . 1 1 9 9 TRP H H 1 8.512 0.000 . 1 . . . . A 9 TRP H . 30318 1 83 . 1 1 9 9 TRP HA H 1 4.295 0.001 . 1 . . . . A 9 TRP HA . 30318 1 84 . 1 1 9 9 TRP HB2 H 1 3.233 0.000 . 2 . . . . A 9 TRP HB2 . 30318 1 85 . 1 1 9 9 TRP HB3 H 1 3.117 0.001 . 2 . . . . A 9 TRP HB3 . 30318 1 86 . 1 1 9 9 TRP HD1 H 1 7.087 0.001 . 1 . . . . A 9 TRP HD1 . 30318 1 87 . 1 1 9 9 TRP HE1 H 1 9.771 0.001 . 1 . . . . A 9 TRP HE1 . 30318 1 88 . 1 1 9 9 TRP HE3 H 1 7.788 0.001 . 1 . . . . A 9 TRP HE3 . 30318 1 89 . 1 1 9 9 TRP HZ2 H 1 7.425 0.001 . 1 . . . . A 9 TRP HZ2 . 30318 1 90 . 1 1 9 9 TRP HZ3 H 1 7.417 0.001 . 1 . . . . A 9 TRP HZ3 . 30318 1 91 . 1 1 9 9 TRP HH2 H 1 7.214 0.001 . 1 . . . . A 9 TRP HH2 . 30318 1 92 . 1 1 9 9 TRP CA C 13 59.248 0.000 . 1 . . . . A 9 TRP CA . 30318 1 93 . 1 1 9 9 TRP CB C 13 28.986 0.001 . 1 . . . . A 9 TRP CB . 30318 1 94 . 1 1 9 9 TRP CD1 C 13 127.014 0.000 . 1 . . . . A 9 TRP CD1 . 30318 1 95 . 1 1 9 9 TRP CE3 C 13 121.024 0.000 . 1 . . . . A 9 TRP CE3 . 30318 1 96 . 1 1 9 9 TRP CZ2 C 13 114.254 0.000 . 1 . . . . A 9 TRP CZ2 . 30318 1 97 . 1 1 9 9 TRP CZ3 C 13 123.057 0.000 . 1 . . . . A 9 TRP CZ3 . 30318 1 98 . 1 1 9 9 TRP CH2 C 13 124.939 0.000 . 1 . . . . A 9 TRP CH2 . 30318 1 99 . 1 1 9 9 TRP N N 15 125.709 0.000 . 1 . . . . A 9 TRP N . 30318 1 100 . 1 1 9 9 TRP NE1 N 15 128.709 0.000 . 1 . . . . A 9 TRP NE1 . 30318 1 101 . 1 1 10 10 CYS H H 1 8.505 0.001 . 1 . . . . A 10 CYS H . 30318 1 102 . 1 1 10 10 CYS HA H 1 4.256 0.001 . 1 . . . . A 10 CYS HA . 30318 1 103 . 1 1 10 10 CYS HB2 H 1 2.605 0.000 . 2 . . . . A 10 CYS HB2 . 30318 1 104 . 1 1 10 10 CYS HB3 H 1 3.172 0.000 . 2 . . . . A 10 CYS HB3 . 30318 1 105 . 1 1 10 10 CYS CA C 13 54.127 0.000 . 1 . . . . A 10 CYS CA . 30318 1 106 . 1 1 10 10 CYS CB C 13 45.810 0.005 . 1 . . . . A 10 CYS CB . 30318 1 107 . 1 1 10 10 CYS N N 15 118.730 0.000 . 1 . . . . A 10 CYS N . 30318 1 108 . 1 1 11 11 ARG H H 1 6.732 0.001 . 1 . . . . A 11 ARG H . 30318 1 109 . 1 1 11 11 ARG HA H 1 3.806 0.000 . 1 . . . . A 11 ARG HA . 30318 1 110 . 1 1 11 11 ARG HB2 H 1 1.399 0.000 . 1 . . . . A 11 ARG HB2 . 30318 1 111 . 1 1 11 11 ARG HB3 H 1 1.570 0.000 . 1 . . . . A 11 ARG HB3 . 30318 1 112 . 1 1 11 11 ARG HG2 H 1 1.455 0.001 . 2 . . . . A 11 ARG HG2 . 30318 1 113 . 1 1 11 11 ARG HG3 H 1 1.455 0.001 . 2 . . . . A 11 ARG HG3 . 30318 1 114 . 1 1 11 11 ARG HD2 H 1 3.193 0.002 . 2 . . . . A 11 ARG HD2 . 30318 1 115 . 1 1 11 11 ARG HD3 H 1 3.193 0.002 . 2 . . . . A 11 ARG HD3 . 30318 1 116 . 1 1 11 11 ARG CA C 13 58.441 0.000 . 1 . . . . A 11 ARG CA . 30318 1 117 . 1 1 11 11 ARG CB C 13 29.871 0.001 . 1 . . . . A 11 ARG CB . 30318 1 118 . 1 1 11 11 ARG CG C 13 26.016 0.000 . 1 . . . . A 11 ARG CG . 30318 1 119 . 1 1 11 11 ARG CD C 13 43.793 0.000 . 1 . . . . A 11 ARG CD . 30318 1 120 . 1 1 11 11 ARG N N 15 128.514 0.000 . 1 . . . . A 11 ARG N . 30318 1 121 . 1 1 12 12 GLY H H 1 8.910 0.001 . 1 . . . . A 12 GLY H . 30318 1 122 . 1 1 12 12 GLY HA2 H 1 4.034 0.000 . 2 . . . . A 12 GLY HA2 . 30318 1 123 . 1 1 12 12 GLY HA3 H 1 3.667 0.000 . 2 . . . . A 12 GLY HA3 . 30318 1 124 . 1 1 12 12 GLY CA C 13 45.817 0.005 . 1 . . . . A 12 GLY CA . 30318 1 125 . 1 1 12 12 GLY N N 15 116.593 0.000 . 1 . . . . A 12 GLY N . 30318 1 126 . 1 1 13 13 GLU H H 1 7.306 0.000 . 1 . . . . A 13 GLU H . 30318 1 127 . 1 1 13 13 GLU HA H 1 4.280 0.000 . 1 . . . . A 13 GLU HA . 30318 1 128 . 1 1 13 13 GLU HB2 H 1 2.413 0.001 . 2 . . . . A 13 GLU HB2 . 30318 1 129 . 1 1 13 13 GLU HB3 H 1 1.697 0.001 . 2 . . . . A 13 GLU HB3 . 30318 1 130 . 1 1 13 13 GLU HG2 H 1 2.078 0.000 . 2 . . . . A 13 GLU HG2 . 30318 1 131 . 1 1 13 13 GLU HG3 H 1 1.771 0.001 . 2 . . . . A 13 GLU HG3 . 30318 1 132 . 1 1 13 13 GLU CA C 13 55.102 0.000 . 1 . . . . A 13 GLU CA . 30318 1 133 . 1 1 13 13 GLU CB C 13 30.328 0.011 . 1 . . . . A 13 GLU CB . 30318 1 134 . 1 1 13 13 GLU CG C 13 35.703 0.004 . 1 . . . . A 13 GLU CG . 30318 1 135 . 1 1 13 13 GLU N N 15 118.506 0.000 . 1 . . . . A 13 GLU N . 30318 1 136 . 1 1 14 14 LYS H H 1 8.594 0.001 . 1 . . . . A 14 LYS H . 30318 1 137 . 1 1 14 14 LYS HA H 1 4.007 0.001 . 1 . . . . A 14 LYS HA . 30318 1 138 . 1 1 14 14 LYS HB2 H 1 1.734 0.001 . 2 . . . . A 14 LYS HB2 . 30318 1 139 . 1 1 14 14 LYS HB3 H 1 1.734 0.001 . 2 . . . . A 14 LYS HB3 . 30318 1 140 . 1 1 14 14 LYS HG2 H 1 1.393 0.001 . 2 . . . . A 14 LYS HG2 . 30318 1 141 . 1 1 14 14 LYS HG3 H 1 1.393 0.001 . 2 . . . . A 14 LYS HG3 . 30318 1 142 . 1 1 14 14 LYS HD2 H 1 1.600 0.003 . 2 . . . . A 14 LYS HD2 . 30318 1 143 . 1 1 14 14 LYS HD3 H 1 1.600 0.003 . 2 . . . . A 14 LYS HD3 . 30318 1 144 . 1 1 14 14 LYS HE2 H 1 2.927 0.001 . 2 . . . . A 14 LYS HE2 . 30318 1 145 . 1 1 14 14 LYS HE3 H 1 2.927 0.001 . 2 . . . . A 14 LYS HE3 . 30318 1 146 . 1 1 14 14 LYS CA C 13 58.097 0.000 . 1 . . . . A 14 LYS CA . 30318 1 147 . 1 1 14 14 LYS CB C 13 32.905 0.000 . 1 . . . . A 14 LYS CB . 30318 1 148 . 1 1 14 14 LYS CG C 13 24.658 0.000 . 1 . . . . A 14 LYS CG . 30318 1 149 . 1 1 14 14 LYS CD C 13 28.898 0.000 . 1 . . . . A 14 LYS CD . 30318 1 150 . 1 1 14 14 LYS CE C 13 42.042 0.000 . 1 . . . . A 14 LYS CE . 30318 1 151 . 1 1 14 14 LYS N N 15 120.502 0.000 . 1 . . . . A 14 LYS N . 30318 1 152 . 1 1 15 15 ASP H H 1 8.104 0.001 . 1 . . . . A 15 ASP H . 30318 1 153 . 1 1 15 15 ASP HA H 1 4.957 0.000 . 1 . . . . A 15 ASP HA . 30318 1 154 . 1 1 15 15 ASP HB2 H 1 2.347 0.000 . 2 . . . . A 15 ASP HB2 . 30318 1 155 . 1 1 15 15 ASP HB3 H 1 2.107 0.000 . 2 . . . . A 15 ASP HB3 . 30318 1 156 . 1 1 15 15 ASP CA C 13 52.003 0.000 . 1 . . . . A 15 ASP CA . 30318 1 157 . 1 1 15 15 ASP CB C 13 40.456 0.008 . 1 . . . . A 15 ASP CB . 30318 1 158 . 1 1 15 15 ASP N N 15 118.769 0.000 . 1 . . . . A 15 ASP N . 30318 1 159 . 1 1 16 16 PRO HA H 1 4.659 0.000 . 1 . . . . A 16 PRO HA . 30318 1 160 . 1 1 16 16 PRO HB2 H 1 2.311 0.001 . 2 . . . . A 16 PRO HB2 . 30318 1 161 . 1 1 16 16 PRO HB3 H 1 2.136 0.001 . 2 . . . . A 16 PRO HB3 . 30318 1 162 . 1 1 16 16 PRO HG2 H 1 2.000 0.001 . 2 . . . . A 16 PRO HG2 . 30318 1 163 . 1 1 16 16 PRO HG3 H 1 1.601 0.001 . 2 . . . . A 16 PRO HG3 . 30318 1 164 . 1 1 16 16 PRO HD2 H 1 3.641 0.002 . 2 . . . . A 16 PRO HD2 . 30318 1 165 . 1 1 16 16 PRO HD3 H 1 3.641 0.002 . 2 . . . . A 16 PRO HD3 . 30318 1 166 . 1 1 16 16 PRO CB C 13 33.055 0.004 . 1 . . . . A 16 PRO CB . 30318 1 167 . 1 1 16 16 PRO CG C 13 26.526 0.003 . 1 . . . . A 16 PRO CG . 30318 1 168 . 1 1 16 16 PRO CD C 13 49.845 0.000 . 1 . . . . A 16 PRO CD . 30318 1 169 . 1 1 17 17 CYS H H 1 8.677 0.001 . 1 . . . . A 17 CYS H . 30318 1 170 . 1 1 17 17 CYS HA H 1 4.911 0.000 . 1 . . . . A 17 CYS HA . 30318 1 171 . 1 1 17 17 CYS HB2 H 1 2.501 0.000 . 1 . . . . A 17 CYS HB2 . 30318 1 172 . 1 1 17 17 CYS HB3 H 1 3.066 0.000 . 1 . . . . A 17 CYS HB3 . 30318 1 173 . 1 1 17 17 CYS CA C 13 57.142 0.000 . 1 . . . . A 17 CYS CA . 30318 1 174 . 1 1 17 17 CYS CB C 13 41.279 0.007 . 1 . . . . A 17 CYS CB . 30318 1 175 . 1 1 17 17 CYS N N 15 115.530 0.000 . 1 . . . . A 17 CYS N . 30318 1 176 . 1 1 18 18 CYS H H 1 9.200 0.000 . 1 . . . . A 18 CYS H . 30318 1 177 . 1 1 18 18 CYS HA H 1 4.445 0.000 . 1 . . . . A 18 CYS HA . 30318 1 178 . 1 1 18 18 CYS HB2 H 1 3.421 0.001 . 2 . . . . A 18 CYS HB2 . 30318 1 179 . 1 1 18 18 CYS HB3 H 1 2.529 0.003 . 2 . . . . A 18 CYS HB3 . 30318 1 180 . 1 1 18 18 CYS CA C 13 53.807 0.000 . 1 . . . . A 18 CYS CA . 30318 1 181 . 1 1 18 18 CYS CB C 13 39.998 0.003 . 1 . . . . A 18 CYS CB . 30318 1 182 . 1 1 18 18 CYS N N 15 120.311 0.000 . 1 . . . . A 18 CYS N . 30318 1 183 . 1 1 19 19 GLU H H 1 8.109 0.001 . 1 . . . . A 19 GLU H . 30318 1 184 . 1 1 19 19 GLU HA H 1 3.877 0.001 . 1 . . . . A 19 GLU HA . 30318 1 185 . 1 1 19 19 GLU HB2 H 1 1.709 0.000 . 2 . . . . A 19 GLU HB2 . 30318 1 186 . 1 1 19 19 GLU HB3 H 1 1.618 0.000 . 2 . . . . A 19 GLU HB3 . 30318 1 187 . 1 1 19 19 GLU HG2 H 1 1.716 0.000 . 2 . . . . A 19 GLU HG2 . 30318 1 188 . 1 1 19 19 GLU HG3 H 1 2.001 0.000 . 2 . . . . A 19 GLU HG3 . 30318 1 189 . 1 1 19 19 GLU CA C 13 58.024 0.000 . 1 . . . . A 19 GLU CA . 30318 1 190 . 1 1 19 19 GLU CB C 13 29.584 0.000 . 1 . . . . A 19 GLU CB . 30318 1 191 . 1 1 19 19 GLU CG C 13 35.603 0.000 . 1 . . . . A 19 GLU CG . 30318 1 192 . 1 1 19 19 GLU N N 15 117.788 0.000 . 1 . . . . A 19 GLU N . 30318 1 193 . 1 1 20 20 HIS H H 1 8.614 0.000 . 1 . . . . A 20 HIS H . 30318 1 194 . 1 1 20 20 HIS HA H 1 4.295 0.000 . 1 . . . . A 20 HIS HA . 30318 1 195 . 1 1 20 20 HIS HB2 H 1 3.912 0.000 . 2 . . . . A 20 HIS HB2 . 30318 1 196 . 1 1 20 20 HIS HB3 H 1 3.588 0.003 . 2 . . . . A 20 HIS HB3 . 30318 1 197 . 1 1 20 20 HIS HD2 H 1 7.148 0.001 . 1 . . . . A 20 HIS HD2 . 30318 1 198 . 1 1 20 20 HIS HE1 H 1 8.436 0.001 . 1 . . . . A 20 HIS HE1 . 30318 1 199 . 1 1 20 20 HIS CA C 13 57.787 0.000 . 1 . . . . A 20 HIS CA . 30318 1 200 . 1 1 20 20 HIS CB C 13 26.552 0.002 . 1 . . . . A 20 HIS CB . 30318 1 201 . 1 1 20 20 HIS CD2 C 13 120.202 0.000 . 1 . . . . A 20 HIS CD2 . 30318 1 202 . 1 1 20 20 HIS CE1 C 13 136.987 0.000 . 1 . . . . A 20 HIS CE1 . 30318 1 203 . 1 1 20 20 HIS N N 15 112.402 0.000 . 1 . . . . A 20 HIS N . 30318 1 204 . 1 1 21 21 LEU H H 1 7.814 0.002 . 1 . . . . A 21 LEU H . 30318 1 205 . 1 1 21 21 LEU HA H 1 5.285 0.001 . 1 . . . . A 21 LEU HA . 30318 1 206 . 1 1 21 21 LEU HB2 H 1 2.177 0.002 . 1 . . . . A 21 LEU HB2 . 30318 1 207 . 1 1 21 21 LEU HB3 H 1 1.033 0.002 . 1 . . . . A 21 LEU HB3 . 30318 1 208 . 1 1 21 21 LEU HG H 1 1.234 0.001 . 1 . . . . A 21 LEU HG . 30318 1 209 . 1 1 21 21 LEU HD11 H 1 0.579 0.001 . 1 . . . . A 21 LEU HD11 . 30318 1 210 . 1 1 21 21 LEU HD12 H 1 0.579 0.001 . 1 . . . . A 21 LEU HD12 . 30318 1 211 . 1 1 21 21 LEU HD13 H 1 0.579 0.001 . 1 . . . . A 21 LEU HD13 . 30318 1 212 . 1 1 21 21 LEU HD21 H 1 -0.145 0.001 . 1 . . . . A 21 LEU HD21 . 30318 1 213 . 1 1 21 21 LEU HD22 H 1 -0.145 0.001 . 1 . . . . A 21 LEU HD22 . 30318 1 214 . 1 1 21 21 LEU HD23 H 1 -0.145 0.001 . 1 . . . . A 21 LEU HD23 . 30318 1 215 . 1 1 21 21 LEU CA C 13 53.475 0.000 . 1 . . . . A 21 LEU CA . 30318 1 216 . 1 1 21 21 LEU CB C 13 45.765 0.011 . 1 . . . . A 21 LEU CB . 30318 1 217 . 1 1 21 21 LEU CG C 13 26.419 0.000 . 1 . . . . A 21 LEU CG . 30318 1 218 . 1 1 21 21 LEU CD1 C 13 27.089 0.000 . 1 . . . . A 21 LEU CD1 . 30318 1 219 . 1 1 21 21 LEU CD2 C 13 24.526 0.000 . 1 . . . . A 21 LEU CD2 . 30318 1 220 . 1 1 21 21 LEU N N 15 118.131 0.000 . 1 . . . . A 21 LEU N . 30318 1 221 . 1 1 22 22 THR H H 1 9.454 0.001 . 1 . . . . A 22 THR H . 30318 1 222 . 1 1 22 22 THR HA H 1 4.508 0.001 . 1 . . . . A 22 THR HA . 30318 1 223 . 1 1 22 22 THR HB H 1 3.820 0.001 . 1 . . . . A 22 THR HB . 30318 1 224 . 1 1 22 22 THR HG21 H 1 0.923 0.001 . 1 . . . . A 22 THR HG21 . 30318 1 225 . 1 1 22 22 THR HG22 H 1 0.923 0.001 . 1 . . . . A 22 THR HG22 . 30318 1 226 . 1 1 22 22 THR HG23 H 1 0.923 0.001 . 1 . . . . A 22 THR HG23 . 30318 1 227 . 1 1 22 22 THR CA C 13 59.803 0.000 . 1 . . . . A 22 THR CA . 30318 1 228 . 1 1 22 22 THR CB C 13 70.913 0.000 . 1 . . . . A 22 THR CB . 30318 1 229 . 1 1 22 22 THR CG2 C 13 19.642 0.000 . 1 . . . . A 22 THR CG2 . 30318 1 230 . 1 1 22 22 THR N N 15 115.598 0.000 . 1 . . . . A 22 THR N . 30318 1 231 . 1 1 23 23 CYS H H 1 8.661 0.000 . 1 . . . . A 23 CYS H . 30318 1 232 . 1 1 23 23 CYS HA H 1 4.501 0.000 . 1 . . . . A 23 CYS HA . 30318 1 233 . 1 1 23 23 CYS HB2 H 1 2.770 0.000 . 2 . . . . A 23 CYS HB2 . 30318 1 234 . 1 1 23 23 CYS HB3 H 1 2.840 0.000 . 2 . . . . A 23 CYS HB3 . 30318 1 235 . 1 1 23 23 CYS CB C 13 39.188 0.003 . 1 . . . . A 23 CYS CB . 30318 1 236 . 1 1 23 23 CYS N N 15 119.403 0.000 . 1 . . . . A 23 CYS N . 30318 1 237 . 1 1 24 24 HIS H H 1 8.463 0.001 . 1 . . . . A 24 HIS H . 30318 1 238 . 1 1 24 24 HIS HA H 1 4.046 0.001 . 1 . . . . A 24 HIS HA . 30318 1 239 . 1 1 24 24 HIS HB2 H 1 3.141 0.002 . 1 . . . . A 24 HIS HB2 . 30318 1 240 . 1 1 24 24 HIS HB3 H 1 2.667 0.002 . 1 . . . . A 24 HIS HB3 . 30318 1 241 . 1 1 24 24 HIS HD2 H 1 7.192 0.000 . 1 . . . . A 24 HIS HD2 . 30318 1 242 . 1 1 24 24 HIS HE1 H 1 7.231 0.000 . 1 . . . . A 24 HIS HE1 . 30318 1 243 . 1 1 24 24 HIS CA C 13 59.239 0.000 . 1 . . . . A 24 HIS CA . 30318 1 244 . 1 1 24 24 HIS CB C 13 31.889 0.005 . 1 . . . . A 24 HIS CB . 30318 1 245 . 1 1 24 24 HIS CD2 C 13 118.681 0.000 . 1 . . . . A 24 HIS CD2 . 30318 1 246 . 1 1 24 24 HIS CE1 C 13 139.108 0.000 . 1 . . . . A 24 HIS CE1 . 30318 1 247 . 1 1 24 24 HIS N N 15 133.838 0.000 . 1 . . . . A 24 HIS N . 30318 1 248 . 1 1 25 25 VAL H H 1 8.174 0.001 . 1 . . . . A 25 VAL H . 30318 1 249 . 1 1 25 25 VAL HA H 1 3.526 0.002 . 1 . . . . A 25 VAL HA . 30318 1 250 . 1 1 25 25 VAL HB H 1 1.864 0.002 . 1 . . . . A 25 VAL HB . 30318 1 251 . 1 1 25 25 VAL HG11 H 1 0.756 0.001 . 2 . . . . A 25 VAL HG11 . 30318 1 252 . 1 1 25 25 VAL HG12 H 1 0.756 0.001 . 2 . . . . A 25 VAL HG12 . 30318 1 253 . 1 1 25 25 VAL HG13 H 1 0.756 0.001 . 2 . . . . A 25 VAL HG13 . 30318 1 254 . 1 1 25 25 VAL HG21 H 1 0.740 0.000 . 2 . . . . A 25 VAL HG21 . 30318 1 255 . 1 1 25 25 VAL HG22 H 1 0.740 0.000 . 2 . . . . A 25 VAL HG22 . 30318 1 256 . 1 1 25 25 VAL HG23 H 1 0.740 0.000 . 2 . . . . A 25 VAL HG23 . 30318 1 257 . 1 1 25 25 VAL CA C 13 65.313 0.000 . 1 . . . . A 25 VAL CA . 30318 1 258 . 1 1 25 25 VAL CB C 13 31.644 0.000 . 1 . . . . A 25 VAL CB . 30318 1 259 . 1 1 25 25 VAL CG1 C 13 20.489 0.000 . 1 . . . . A 25 VAL CG1 . 30318 1 260 . 1 1 25 25 VAL CG2 C 13 20.598 0.000 . 1 . . . . A 25 VAL CG2 . 30318 1 261 . 1 1 25 25 VAL N N 15 127.264 0.000 . 1 . . . . A 25 VAL N . 30318 1 262 . 1 1 26 26 LYS H H 1 8.727 0.001 . 1 . . . . A 26 LYS H . 30318 1 263 . 1 1 26 26 LYS HA H 1 4.211 0.001 . 1 . . . . A 26 LYS HA . 30318 1 264 . 1 1 26 26 LYS HB2 H 1 1.349 0.001 . 1 . . . . A 26 LYS HB2 . 30318 1 265 . 1 1 26 26 LYS HB3 H 1 1.434 0.000 . 1 . . . . A 26 LYS HB3 . 30318 1 266 . 1 1 26 26 LYS HG2 H 1 0.999 0.000 . 1 . . . . A 26 LYS HG2 . 30318 1 267 . 1 1 26 26 LYS HG3 H 1 1.219 0.000 . 1 . . . . A 26 LYS HG3 . 30318 1 268 . 1 1 26 26 LYS HD2 H 1 1.391 0.000 . 2 . . . . A 26 LYS HD2 . 30318 1 269 . 1 1 26 26 LYS HD3 H 1 1.443 0.000 . 2 . . . . A 26 LYS HD3 . 30318 1 270 . 1 1 26 26 LYS HE2 H 1 2.789 0.001 . 2 . . . . A 26 LYS HE2 . 30318 1 271 . 1 1 26 26 LYS HE3 H 1 2.789 0.001 . 2 . . . . A 26 LYS HE3 . 30318 1 272 . 1 1 26 26 LYS CA C 13 57.247 0.000 . 1 . . . . A 26 LYS CA . 30318 1 273 . 1 1 26 26 LYS CB C 13 33.822 0.010 . 1 . . . . A 26 LYS CB . 30318 1 274 . 1 1 26 26 LYS CG C 13 24.799 0.003 . 1 . . . . A 26 LYS CG . 30318 1 275 . 1 1 26 26 LYS CD C 13 28.739 0.000 . 1 . . . . A 26 LYS CD . 30318 1 276 . 1 1 26 26 LYS CE C 13 41.947 0.000 . 1 . . . . A 26 LYS CE . 30318 1 277 . 1 1 26 26 LYS N N 15 122.884 0.000 . 1 . . . . A 26 LYS N . 30318 1 278 . 1 1 27 27 HIS H H 1 8.605 0.000 . 1 . . . . A 27 HIS H . 30318 1 279 . 1 1 27 27 HIS HA H 1 3.947 0.000 . 1 . . . . A 27 HIS HA . 30318 1 280 . 1 1 27 27 HIS HB2 H 1 0.932 0.000 . 2 . . . . A 27 HIS HB2 . 30318 1 281 . 1 1 27 27 HIS HB3 H 1 0.311 0.001 . 2 . . . . A 27 HIS HB3 . 30318 1 282 . 1 1 27 27 HIS HD2 H 1 5.287 0.000 . 1 . . . . A 27 HIS HD2 . 30318 1 283 . 1 1 27 27 HIS HE1 H 1 7.603 0.000 . 1 . . . . A 27 HIS HE1 . 30318 1 284 . 1 1 27 27 HIS CA C 13 56.877 0.000 . 1 . . . . A 27 HIS CA . 30318 1 285 . 1 1 27 27 HIS CB C 13 28.296 0.006 . 1 . . . . A 27 HIS CB . 30318 1 286 . 1 1 27 27 HIS CD2 C 13 119.163 0.000 . 1 . . . . A 27 HIS CD2 . 30318 1 287 . 1 1 27 27 HIS CE1 C 13 138.132 0.000 . 1 . . . . A 27 HIS CE1 . 30318 1 288 . 1 1 27 27 HIS N N 15 118.441 0.000 . 1 . . . . A 27 HIS N . 30318 1 289 . 1 1 28 28 GLY H H 1 7.638 0.001 . 1 . . . . A 28 GLY H . 30318 1 290 . 1 1 28 28 GLY HA2 H 1 3.155 0.000 . 1 . . . . A 28 GLY HA2 . 30318 1 291 . 1 1 28 28 GLY HA3 H 1 3.311 0.001 . 1 . . . . A 28 GLY HA3 . 30318 1 292 . 1 1 28 28 GLY CA C 13 45.654 0.000 . 1 . . . . A 28 GLY CA . 30318 1 293 . 1 1 28 28 GLY N N 15 100.829 0.000 . 1 . . . . A 28 GLY N . 30318 1 294 . 1 1 29 29 TRP H H 1 6.155 0.002 . 1 . . . . A 29 TRP H . 30318 1 295 . 1 1 29 29 TRP HA H 1 5.430 0.002 . 1 . . . . A 29 TRP HA . 30318 1 296 . 1 1 29 29 TRP HB2 H 1 2.731 0.001 . 2 . . . . A 29 TRP HB2 . 30318 1 297 . 1 1 29 29 TRP HB3 H 1 2.512 0.002 . 2 . . . . A 29 TRP HB3 . 30318 1 298 . 1 1 29 29 TRP HD1 H 1 6.694 0.001 . 1 . . . . A 29 TRP HD1 . 30318 1 299 . 1 1 29 29 TRP HE1 H 1 10.026 0.001 . 1 . . . . A 29 TRP HE1 . 30318 1 300 . 1 1 29 29 TRP HE3 H 1 7.332 0.001 . 1 . . . . A 29 TRP HE3 . 30318 1 301 . 1 1 29 29 TRP HZ2 H 1 6.628 0.002 . 1 . . . . A 29 TRP HZ2 . 30318 1 302 . 1 1 29 29 TRP HZ3 H 1 7.090 0.002 . 1 . . . . A 29 TRP HZ3 . 30318 1 303 . 1 1 29 29 TRP HH2 H 1 6.797 0.001 . 1 . . . . A 29 TRP HH2 . 30318 1 304 . 1 1 29 29 TRP CA C 13 54.301 0.000 . 1 . . . . A 29 TRP CA . 30318 1 305 . 1 1 29 29 TRP CB C 13 31.238 0.000 . 1 . . . . A 29 TRP CB . 30318 1 306 . 1 1 29 29 TRP CD1 C 13 126.458 0.000 . 1 . . . . A 29 TRP CD1 . 30318 1 307 . 1 1 29 29 TRP CE3 C 13 121.047 0.000 . 1 . . . . A 29 TRP CE3 . 30318 1 308 . 1 1 29 29 TRP CZ2 C 13 113.810 0.000 . 1 . . . . A 29 TRP CZ2 . 30318 1 309 . 1 1 29 29 TRP CZ3 C 13 121.768 0.000 . 1 . . . . A 29 TRP CZ3 . 30318 1 310 . 1 1 29 29 TRP CH2 C 13 124.068 0.000 . 1 . . . . A 29 TRP CH2 . 30318 1 311 . 1 1 29 29 TRP N N 15 110.737 0.000 . 1 . . . . A 29 TRP N . 30318 1 312 . 1 1 29 29 TRP NE1 N 15 130.324 0.000 . 1 . . . . A 29 TRP NE1 . 30318 1 313 . 1 1 30 30 CYS H H 1 8.638 0.001 . 1 . . . . A 30 CYS H . 30318 1 314 . 1 1 30 30 CYS HA H 1 5.001 0.001 . 1 . . . . A 30 CYS HA . 30318 1 315 . 1 1 30 30 CYS HB2 H 1 2.712 0.000 . 1 . . . . A 30 CYS HB2 . 30318 1 316 . 1 1 30 30 CYS HB3 H 1 3.182 0.000 . 1 . . . . A 30 CYS HB3 . 30318 1 317 . 1 1 30 30 CYS CA C 13 55.962 0.000 . 1 . . . . A 30 CYS CA . 30318 1 318 . 1 1 30 30 CYS CB C 13 41.818 0.006 . 1 . . . . A 30 CYS CB . 30318 1 319 . 1 1 30 30 CYS N N 15 119.102 0.000 . 1 . . . . A 30 CYS N . 30318 1 320 . 1 1 31 31 VAL H H 1 9.521 0.001 . 1 . . . . A 31 VAL H . 30318 1 321 . 1 1 31 31 VAL HA H 1 4.973 0.000 . 1 . . . . A 31 VAL HA . 30318 1 322 . 1 1 31 31 VAL HB H 1 2.697 0.002 . 1 . . . . A 31 VAL HB . 30318 1 323 . 1 1 31 31 VAL HG11 H 1 1.039 0.002 . 1 . . . . A 31 VAL HG11 . 30318 1 324 . 1 1 31 31 VAL HG12 H 1 1.039 0.002 . 1 . . . . A 31 VAL HG12 . 30318 1 325 . 1 1 31 31 VAL HG13 H 1 1.039 0.002 . 1 . . . . A 31 VAL HG13 . 30318 1 326 . 1 1 31 31 VAL HG21 H 1 1.280 0.002 . 1 . . . . A 31 VAL HG21 . 30318 1 327 . 1 1 31 31 VAL HG22 H 1 1.280 0.002 . 1 . . . . A 31 VAL HG22 . 30318 1 328 . 1 1 31 31 VAL HG23 H 1 1.280 0.002 . 1 . . . . A 31 VAL HG23 . 30318 1 329 . 1 1 31 31 VAL CA C 13 59.505 0.000 . 1 . . . . A 31 VAL CA . 30318 1 330 . 1 1 31 31 VAL CB C 13 35.483 0.000 . 1 . . . . A 31 VAL CB . 30318 1 331 . 1 1 31 31 VAL CG1 C 13 18.575 0.000 . 1 . . . . A 31 VAL CG1 . 30318 1 332 . 1 1 31 31 VAL CG2 C 13 22.689 0.000 . 1 . . . . A 31 VAL CG2 . 30318 1 333 . 1 1 31 31 VAL N N 15 116.549 0.000 . 1 . . . . A 31 VAL N . 30318 1 334 . 1 1 32 32 TRP H H 1 7.795 0.001 . 1 . . . . A 32 TRP H . 30318 1 335 . 1 1 32 32 TRP HA H 1 4.916 0.001 . 1 . . . . A 32 TRP HA . 30318 1 336 . 1 1 32 32 TRP HB2 H 1 3.032 0.001 . 1 . . . . A 32 TRP HB2 . 30318 1 337 . 1 1 32 32 TRP HB3 H 1 3.456 0.001 . 1 . . . . A 32 TRP HB3 . 30318 1 338 . 1 1 32 32 TRP HD1 H 1 7.096 0.001 . 1 . . . . A 32 TRP HD1 . 30318 1 339 . 1 1 32 32 TRP HE1 H 1 8.822 0.003 . 1 . . . . A 32 TRP HE1 . 30318 1 340 . 1 1 32 32 TRP HE3 H 1 7.711 0.001 . 1 . . . . A 32 TRP HE3 . 30318 1 341 . 1 1 32 32 TRP HZ2 H 1 7.058 0.001 . 1 . . . . A 32 TRP HZ2 . 30318 1 342 . 1 1 32 32 TRP HZ3 H 1 7.004 0.000 . 1 . . . . A 32 TRP HZ3 . 30318 1 343 . 1 1 32 32 TRP HH2 H 1 7.080 0.001 . 1 . . . . A 32 TRP HH2 . 30318 1 344 . 1 1 32 32 TRP CA C 13 58.184 0.000 . 1 . . . . A 32 TRP CA . 30318 1 345 . 1 1 32 32 TRP CB C 13 29.560 0.006 . 1 . . . . A 32 TRP CB . 30318 1 346 . 1 1 32 32 TRP CD1 C 13 127.973 0.000 . 1 . . . . A 32 TRP CD1 . 30318 1 347 . 1 1 32 32 TRP CE3 C 13 121.751 0.000 . 1 . . . . A 32 TRP CE3 . 30318 1 348 . 1 1 32 32 TRP CZ2 C 13 114.246 0.000 . 1 . . . . A 32 TRP CZ2 . 30318 1 349 . 1 1 32 32 TRP CZ3 C 13 121.700 0.000 . 1 . . . . A 32 TRP CZ3 . 30318 1 350 . 1 1 32 32 TRP CH2 C 13 124.561 0.000 . 1 . . . . A 32 TRP CH2 . 30318 1 351 . 1 1 32 32 TRP N N 15 121.520 0.000 . 1 . . . . A 32 TRP N . 30318 1 352 . 1 1 32 32 TRP NE1 N 15 128.632 0.000 . 1 . . . . A 32 TRP NE1 . 30318 1 353 . 1 1 33 33 ASP H H 1 8.750 0.000 . 1 . . . . A 33 ASP H . 30318 1 354 . 1 1 33 33 ASP HA H 1 4.448 0.001 . 1 . . . . A 33 ASP HA . 30318 1 355 . 1 1 33 33 ASP HB2 H 1 2.739 0.000 . 2 . . . . A 33 ASP HB2 . 30318 1 356 . 1 1 33 33 ASP HB3 H 1 2.317 0.000 . 2 . . . . A 33 ASP HB3 . 30318 1 357 . 1 1 33 33 ASP CA C 13 53.839 0.000 . 1 . . . . A 33 ASP CA . 30318 1 358 . 1 1 33 33 ASP CB C 13 41.066 0.005 . 1 . . . . A 33 ASP CB . 30318 1 359 . 1 1 33 33 ASP N N 15 123.980 0.000 . 1 . . . . A 33 ASP N . 30318 1 360 . 1 1 34 34 GLY H H 1 7.761 0.000 . 1 . . . . A 34 GLY H . 30318 1 361 . 1 1 34 34 GLY HA2 H 1 3.469 0.000 . 2 . . . . A 34 GLY HA2 . 30318 1 362 . 1 1 34 34 GLY HA3 H 1 3.913 0.000 . 2 . . . . A 34 GLY HA3 . 30318 1 363 . 1 1 34 34 GLY CA C 13 45.495 0.000 . 1 . . . . A 34 GLY CA . 30318 1 364 . 1 1 34 34 GLY N N 15 107.987 0.000 . 1 . . . . A 34 GLY N . 30318 1 365 . 1 1 35 35 THR H H 1 8.232 0.002 . 1 . . . . A 35 THR H . 30318 1 366 . 1 1 35 35 THR HA H 1 4.280 0.000 . 1 . . . . A 35 THR HA . 30318 1 367 . 1 1 35 35 THR HB H 1 4.234 0.001 . 1 . . . . A 35 THR HB . 30318 1 368 . 1 1 35 35 THR HG21 H 1 1.114 0.002 . 1 . . . . A 35 THR HG21 . 30318 1 369 . 1 1 35 35 THR HG22 H 1 1.114 0.002 . 1 . . . . A 35 THR HG22 . 30318 1 370 . 1 1 35 35 THR HG23 H 1 1.114 0.002 . 1 . . . . A 35 THR HG23 . 30318 1 371 . 1 1 35 35 THR CA C 13 62.493 0.000 . 1 . . . . A 35 THR CA . 30318 1 372 . 1 1 35 35 THR CB C 13 70.346 0.000 . 1 . . . . A 35 THR CB . 30318 1 373 . 1 1 35 35 THR CG2 C 13 21.463 0.000 . 1 . . . . A 35 THR CG2 . 30318 1 374 . 1 1 35 35 THR N N 15 113.492 0.000 . 1 . . . . A 35 THR N . 30318 1 375 . 1 1 36 36 ILE H H 1 7.895 0.001 . 1 . . . . A 36 ILE H . 30318 1 376 . 1 1 36 36 ILE HA H 1 3.945 0.001 . 1 . . . . A 36 ILE HA . 30318 1 377 . 1 1 36 36 ILE HB H 1 1.651 0.000 . 1 . . . . A 36 ILE HB . 30318 1 378 . 1 1 36 36 ILE HG12 H 1 1.276 0.000 . 2 . . . . A 36 ILE HG12 . 30318 1 379 . 1 1 36 36 ILE HG13 H 1 1.013 0.001 . 2 . . . . A 36 ILE HG13 . 30318 1 380 . 1 1 36 36 ILE HG21 H 1 0.665 0.003 . 1 . . . . A 36 ILE HG21 . 30318 1 381 . 1 1 36 36 ILE HG22 H 1 0.665 0.003 . 1 . . . . A 36 ILE HG22 . 30318 1 382 . 1 1 36 36 ILE HG23 H 1 0.665 0.003 . 1 . . . . A 36 ILE HG23 . 30318 1 383 . 1 1 36 36 ILE HD11 H 1 0.606 0.000 . 1 . . . . A 36 ILE HD11 . 30318 1 384 . 1 1 36 36 ILE HD12 H 1 0.606 0.000 . 1 . . . . A 36 ILE HD12 . 30318 1 385 . 1 1 36 36 ILE HD13 H 1 0.606 0.000 . 1 . . . . A 36 ILE HD13 . 30318 1 386 . 1 1 36 36 ILE CA C 13 60.550 0.000 . 1 . . . . A 36 ILE CA . 30318 1 387 . 1 1 36 36 ILE CB C 13 38.635 0.000 . 1 . . . . A 36 ILE CB . 30318 1 388 . 1 1 36 36 ILE CG1 C 13 27.020 0.009 . 1 . . . . A 36 ILE CG1 . 30318 1 389 . 1 1 36 36 ILE CG2 C 13 17.246 0.000 . 1 . . . . A 36 ILE CG2 . 30318 1 390 . 1 1 36 36 ILE CD1 C 13 12.594 0.000 . 1 . . . . A 36 ILE CD1 . 30318 1 391 . 1 1 36 36 ILE N N 15 122.055 0.000 . 1 . . . . A 36 ILE N . 30318 1 392 . 1 1 37 37 NH2 N N 15 110.726 0.002 . 1 . . . . A 37 NH2 N . 30318 1 393 . 1 1 37 37 NH2 HN1 H 1 6.906 0.002 . 1 . . . . A 37 NH2 HN1 . 30318 1 394 . 1 1 37 37 NH2 HN2 H 1 7.387 0.001 . 1 . . . . A 37 NH2 HN2 . 30318 1 stop_ save_