################################### # 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 34014 _Assigned_chem_shift_list.ID 1 _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' . . . 34014 1 2 '2D 1H-1H NOESY' . . . 34014 1 3 '2D 1H-15N HSQC' . . . 34014 1 4 '2D 1H-13C HSQC' . . . 34014 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 3 $software_3 . . 34014 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 PCA CB C 13 24.155 0.2 . 1 . . . . 1 PCA CB . 34014 1 2 . 1 1 1 1 PCA CG C 13 29.208 0.2 . 1 . . . . 1 PCA CG . 34014 1 3 . 1 1 1 1 PCA HA H 1 4.663 0.01 . 1 . . . . 1 PCA HA . 34014 1 4 . 1 1 1 1 PCA HB2 H 1 2.585 0.01 . 1 . . . . 1 PCA HB2 . 34014 1 5 . 1 1 1 1 PCA HB3 H 1 2.001 0.01 . 1 . . . . 1 PCA HB3 . 34014 1 6 . 1 1 1 1 PCA HG2 H 1 2.415 0.01 . 1 . . . . 1 PCA HG2 . 34014 1 7 . 1 1 1 1 PCA HG3 H 1 2.416 0.01 . 1 . . . . 1 PCA HG3 . 34014 1 8 . 1 1 2 2 PRO HA H 1 4.415 0.01 . 1 . . . . 2 PRO HA . 34014 1 9 . 1 1 2 2 PRO HB2 H 1 2.232 0.01 . 1 . . . . 2 PRO HB2 . 34014 1 10 . 1 1 2 2 PRO HB3 H 1 1.817 0.01 . 1 . . . . 2 PRO HB3 . 34014 1 11 . 1 1 2 2 PRO HG2 H 1 1.991 0.01 . 1 . . . . 2 PRO HG2 . 34014 1 12 . 1 1 2 2 PRO HG3 H 1 1.991 0.01 . 1 . . . . 2 PRO HG3 . 34014 1 13 . 1 1 2 2 PRO HD2 H 1 3.692 0.01 . 1 . . . . 2 PRO HD2 . 34014 1 14 . 1 1 2 2 PRO HD3 H 1 3.600 0.01 . 1 . . . . 2 PRO HD3 . 34014 1 15 . 1 1 2 2 PRO CA C 13 60.483 0.2 . 1 . . . . 2 PRO CA . 34014 1 16 . 1 1 2 2 PRO CB C 13 29.164 0.2 . 1 . . . . 2 PRO CB . 34014 1 17 . 1 1 2 2 PRO CG C 13 24.557 0.2 . 1 . . . . 2 PRO CG . 34014 1 18 . 1 1 2 2 PRO CD C 13 47.362 0.2 . 1 . . . . 2 PRO CD . 34014 1 19 . 1 1 3 3 PHE H H 1 8.176 0.01 . 1 . . . . 3 PHE H . 34014 1 20 . 1 1 3 3 PHE HA H 1 4.595 0.01 . 1 . . . . 3 PHE HA . 34014 1 21 . 1 1 3 3 PHE HB2 H 1 3.111 0.01 . 1 . . . . 3 PHE HB2 . 34014 1 22 . 1 1 3 3 PHE HB3 H 1 2.996 0.01 . 1 . . . . 3 PHE HB3 . 34014 1 23 . 1 1 3 3 PHE HD1 H 1 7.214 0.01 . 1 . . . . 3 PHE HD1 . 34014 1 24 . 1 1 3 3 PHE HD2 H 1 7.214 0.01 . 1 . . . . 3 PHE HD2 . 34014 1 25 . 1 1 3 3 PHE HE1 H 1 7.315 0.01 . 1 . . . . 3 PHE HE1 . 34014 1 26 . 1 1 3 3 PHE HE2 H 1 7.315 0.01 . 1 . . . . 3 PHE HE2 . 34014 1 27 . 1 1 3 3 PHE HZ H 1 7.336 0.01 . 1 . . . . 3 PHE HZ . 34014 1 28 . 1 1 3 3 PHE CB C 13 36.775 0.2 . 1 . . . . 3 PHE CB . 34014 1 29 . 1 1 3 3 PHE CD1 C 13 129.135 0.2 . 1 . . . . 3 PHE CD1 . 34014 1 30 . 1 1 3 3 PHE CD2 C 13 129.135 0.2 . 1 . . . . 3 PHE CD2 . 34014 1 31 . 1 1 3 3 PHE CZ C 13 128.688 0.2 . 1 . . . . 3 PHE CZ . 34014 1 32 . 1 1 3 3 PHE N N 15 120.027 0.2 . 1 . . . . 3 PHE N . 34014 1 33 . 1 1 4 4 ILE H H 1 7.916 0.01 . 1 . . . . 4 ILE H . 34014 1 34 . 1 1 4 4 ILE HA H 1 4.372 0.01 . 1 . . . . 4 ILE HA . 34014 1 35 . 1 1 4 4 ILE HB H 1 1.727 0.01 . 1 . . . . 4 ILE HB . 34014 1 36 . 1 1 4 4 ILE HG12 H 1 1.410 0.01 . 1 . . . . 4 ILE HG12 . 34014 1 37 . 1 1 4 4 ILE HG13 H 1 1.073 0.01 . 1 . . . . 4 ILE HG13 . 34014 1 38 . 1 1 4 4 ILE HG21 H 1 0.838 0.01 . 1 . . . . 4 ILE HG21 . 34014 1 39 . 1 1 4 4 ILE HG22 H 1 0.838 0.01 . 1 . . . . 4 ILE HG22 . 34014 1 40 . 1 1 4 4 ILE HG23 H 1 0.838 0.01 . 1 . . . . 4 ILE HG23 . 34014 1 41 . 1 1 4 4 ILE HD11 H 1 0.839 0.01 . 1 . . . . 4 ILE HD11 . 34014 1 42 . 1 1 4 4 ILE HD12 H 1 0.839 0.01 . 1 . . . . 4 ILE HD12 . 34014 1 43 . 1 1 4 4 ILE HD13 H 1 0.839 0.01 . 1 . . . . 4 ILE HD13 . 34014 1 44 . 1 1 4 4 ILE CA C 13 55.112 0.2 . 1 . . . . 4 ILE CA . 34014 1 45 . 1 1 4 4 ILE CB C 13 36.274 0.2 . 1 . . . . 4 ILE CB . 34014 1 46 . 1 1 4 4 ILE CG1 C 13 24.264 0.2 . 1 . . . . 4 ILE CG1 . 34014 1 47 . 1 1 4 4 ILE CG2 C 13 14.104 0.2 . 1 . . . . 4 ILE CG2 . 34014 1 48 . 1 1 4 4 ILE CD1 C 13 10.268 0.2 . 1 . . . . 4 ILE CD1 . 34014 1 49 . 1 1 4 4 ILE N N 15 126.519 0.2 . 1 . . . . 4 ILE N . 34014 1 50 . 1 1 5 5 PRO HA H 1 4.276 0.01 . 1 . . . . 5 PRO HA . 34014 1 51 . 1 1 5 5 PRO HB2 H 1 2.288 0.01 . 1 . . . . 5 PRO HB2 . 34014 1 52 . 1 1 5 5 PRO HB3 H 1 1.872 0.01 . 1 . . . . 5 PRO HB3 . 34014 1 53 . 1 1 5 5 PRO HG2 H 1 1.982 0.01 . 1 . . . . 5 PRO HG2 . 34014 1 54 . 1 1 5 5 PRO HG3 H 1 1.982 0.01 . 1 . . . . 5 PRO HG3 . 34014 1 55 . 1 1 5 5 PRO HD2 H 1 3.661 0.01 . 1 . . . . 5 PRO HD2 . 34014 1 56 . 1 1 5 5 PRO HD3 H 1 3.635 0.01 . 1 . . . . 5 PRO HD3 . 34014 1 57 . 1 1 5 5 PRO CA C 13 60.162 0.2 . 1 . . . . 5 PRO CA . 34014 1 58 . 1 1 5 5 PRO CB C 13 29.348 0.2 . 1 . . . . 5 PRO CB . 34014 1 59 . 1 1 5 5 PRO CG C 13 24.540 0.2 . 1 . . . . 5 PRO CG . 34014 1 60 . 1 1 5 5 PRO CD C 13 48.217 0.2 . 1 . . . . 5 PRO CD . 34014 1 61 . 1 1 6 6 ARG H H 1 8.317 0.01 . 1 . . . . 6 ARG H . 34014 1 62 . 1 1 6 6 ARG HA H 1 4.592 0.01 . 1 . . . . 6 ARG HA . 34014 1 63 . 1 1 6 6 ARG HB2 H 1 1.831 0.01 . 1 . . . . 6 ARG HB2 . 34014 1 64 . 1 1 6 6 ARG HB3 H 1 1.831 0.01 . 1 . . . . 6 ARG HB3 . 34014 1 65 . 1 1 6 6 ARG HG2 H 1 1.716 0.01 . 1 . . . . 6 ARG HG2 . 34014 1 66 . 1 1 6 6 ARG HG3 H 1 1.716 0.01 . 1 . . . . 6 ARG HG3 . 34014 1 67 . 1 1 6 6 ARG HD2 H 1 3.221 0.01 . 1 . . . . 6 ARG HD2 . 34014 1 68 . 1 1 6 6 ARG HD3 H 1 3.221 0.01 . 1 . . . . 6 ARG HD3 . 34014 1 69 . 1 1 6 6 ARG HE H 1 7.195 0.01 . 1 . . . . 6 ARG HE . 34014 1 70 . 1 1 6 6 ARG CB C 13 27.236 0.2 . 1 . . . . 6 ARG CB . 34014 1 71 . 1 1 6 6 ARG CG C 13 24.259 0.2 . 1 . . . . 6 ARG CG . 34014 1 72 . 1 1 6 6 ARG CD C 13 40.525 0.2 . 1 . . . . 6 ARG CD . 34014 1 73 . 1 1 6 6 ARG N N 15 122.140 0.2 . 1 . . . . 6 ARG N . 34014 1 74 . 1 1 7 7 PRO HA H 1 4.431 0.01 . 1 . . . . 7 PRO HA . 34014 1 75 . 1 1 7 7 PRO HB2 H 1 2.273 0.01 . 1 . . . . 7 PRO HB2 . 34014 1 76 . 1 1 7 7 PRO HB3 H 1 1.863 0.01 . 1 . . . . 7 PRO HB3 . 34014 1 77 . 1 1 7 7 PRO HG2 H 1 2.014 0.01 . 1 . . . . 7 PRO HG2 . 34014 1 78 . 1 1 7 7 PRO HG3 H 1 2.014 0.01 . 1 . . . . 7 PRO HG3 . 34014 1 79 . 1 1 7 7 PRO HD2 H 1 3.798 0.01 . 1 . . . . 7 PRO HD2 . 34014 1 80 . 1 1 7 7 PRO HD3 H 1 3.614 0.01 . 1 . . . . 7 PRO HD3 . 34014 1 81 . 1 1 7 7 PRO CA C 13 60.483 0.2 . 1 . . . . 7 PRO CA . 34014 1 82 . 1 1 7 7 PRO CB C 13 29.334 0.2 . 1 . . . . 7 PRO CB . 34014 1 83 . 1 1 7 7 PRO CG C 13 24.534 0.2 . 1 . . . . 7 PRO CG . 34014 1 84 . 1 1 7 7 PRO CD C 13 47.844 0.2 . 1 . . . . 7 PRO CD . 34014 1 85 . 1 1 8 8 ILE H H 1 8.241 0.01 . 1 . . . . 8 ILE H . 34014 1 86 . 1 1 8 8 ILE HA H 1 4.086 0.01 . 1 . . . . 8 ILE HA . 34014 1 87 . 1 1 8 8 ILE HB H 1 1.801 0.01 . 1 . . . . 8 ILE HB . 34014 1 88 . 1 1 8 8 ILE HG12 H 1 1.504 0.01 . 1 . . . . 8 ILE HG12 . 34014 1 89 . 1 1 8 8 ILE HG13 H 1 1.198 0.01 . 1 . . . . 8 ILE HG13 . 34014 1 90 . 1 1 8 8 ILE HG21 H 1 0.872 0.01 . 1 . . . . 8 ILE HG21 . 34014 1 91 . 1 1 8 8 ILE HG22 H 1 0.872 0.01 . 1 . . . . 8 ILE HG22 . 34014 1 92 . 1 1 8 8 ILE HG23 H 1 0.872 0.01 . 1 . . . . 8 ILE HG23 . 34014 1 93 . 1 1 8 8 ILE HD11 H 1 0.879 0.01 . 1 . . . . 8 ILE HD11 . 34014 1 94 . 1 1 8 8 ILE HD12 H 1 0.879 0.01 . 1 . . . . 8 ILE HD12 . 34014 1 95 . 1 1 8 8 ILE HD13 H 1 0.879 0.01 . 1 . . . . 8 ILE HD13 . 34014 1 96 . 1 1 8 8 ILE CA C 13 58.282 0.2 . 1 . . . . 8 ILE CA . 34014 1 97 . 1 1 8 8 ILE CB C 13 36.277 0.2 . 1 . . . . 8 ILE CB . 34014 1 98 . 1 1 8 8 ILE CG1 C 13 24.671 0.2 . 1 . . . . 8 ILE CG1 . 34014 1 99 . 1 1 8 8 ILE CG2 C 13 14.791 0.2 . 1 . . . . 8 ILE CG2 . 34014 1 100 . 1 1 8 8 ILE CD1 C 13 10.247 0.2 . 1 . . . . 8 ILE CD1 . 34014 1 101 . 1 1 8 8 ILE N N 15 121.121 0.2 . 1 . . . . 8 ILE N . 34014 1 102 . 1 1 9 9 ASP H H 1 8.322 0.01 . 1 . . . . 9 ASP H . 34014 1 103 . 1 1 9 9 ASP HA H 1 4.764 0.01 . 1 . . . . 9 ASP HA . 34014 1 104 . 1 1 9 9 ASP HB2 H 1 2.865 0.01 . 1 . . . . 9 ASP HB2 . 34014 1 105 . 1 1 9 9 ASP HB3 H 1 2.666 0.01 . 1 . . . . 9 ASP HB3 . 34014 1 106 . 1 1 9 9 ASP CA C 13 50.651 0.2 . 1 . . . . 9 ASP CA . 34014 1 107 . 1 1 9 9 ASP CB C 13 38.673 0.2 . 1 . . . . 9 ASP CB . 34014 1 108 . 1 1 9 9 ASP N N 15 125.097 0.2 . 1 . . . . 9 ASP N . 34014 1 109 . 1 1 10 10 THR H H 1 8.359 0.01 . 1 . . . . 10 THR H . 34014 1 110 . 1 1 10 10 THR HA H 1 3.981 0.01 . 1 . . . . 10 THR HA . 34014 1 111 . 1 1 10 10 THR HB H 1 4.312 0.01 . 1 . . . . 10 THR HB . 34014 1 112 . 1 1 10 10 THR HG21 H 1 1.242 0.01 . 1 . . . . 10 THR HG21 . 34014 1 113 . 1 1 10 10 THR HG22 H 1 1.242 0.01 . 1 . . . . 10 THR HG22 . 34014 1 114 . 1 1 10 10 THR HG23 H 1 1.242 0.01 . 1 . . . . 10 THR HG23 . 34014 1 115 . 1 1 10 10 THR CA C 13 61.403 0.2 . 1 . . . . 10 THR CA . 34014 1 116 . 1 1 10 10 THR CB C 13 65.998 0.2 . 1 . . . . 10 THR CB . 34014 1 117 . 1 1 10 10 THR CG2 C 13 19.280 0.2 . 1 . . . . 10 THR CG2 . 34014 1 118 . 1 1 10 10 THR N N 15 116.733 0.2 . 1 . . . . 10 THR N . 34014 1 119 . 1 1 11 11 CYS H H 1 8.444 0.01 . 1 . . . . 11 CYS H . 34014 1 120 . 1 1 11 11 CYS HA H 1 4.368 0.01 . 1 . . . . 11 CYS HA . 34014 1 121 . 1 1 11 11 CYS HB2 H 1 3.081 0.01 . 1 . . . . 11 CYS HB2 . 34014 1 122 . 1 1 11 11 CYS HB3 H 1 3.079 0.01 . 1 . . . . 11 CYS HB3 . 34014 1 123 . 1 1 11 11 CYS N N 15 121.430 0.2 . 1 . . . . 11 CYS N . 34014 1 124 . 1 1 12 12 ARG H H 1 8.026 0.01 . 1 . . . . 12 ARG H . 34014 1 125 . 1 1 12 12 ARG HA H 1 4.206 0.01 . 1 . . . . 12 ARG HA . 34014 1 126 . 1 1 12 12 ARG HB2 H 1 1.834 0.01 . 1 . . . . 12 ARG HB2 . 34014 1 127 . 1 1 12 12 ARG HB3 H 1 1.834 0.01 . 1 . . . . 12 ARG HB3 . 34014 1 128 . 1 1 12 12 ARG HG2 H 1 1.725 0.01 . 1 . . . . 12 ARG HG2 . 34014 1 129 . 1 1 12 12 ARG HG3 H 1 1.671 0.01 . 1 . . . . 12 ARG HG3 . 34014 1 130 . 1 1 12 12 ARG HD2 H 1 3.273 0.01 . 1 . . . . 12 ARG HD2 . 34014 1 131 . 1 1 12 12 ARG HD3 H 1 3.235 0.01 . 1 . . . . 12 ARG HD3 . 34014 1 132 . 1 1 12 12 ARG HE H 1 7.292 0.01 . 1 . . . . 12 ARG HE . 34014 1 133 . 1 1 12 12 ARG CA C 13 56.070 0.2 . 1 . . . . 12 ARG CA . 34014 1 134 . 1 1 12 12 ARG CB C 13 27.236 0.2 . 1 . . . . 12 ARG CB . 34014 1 135 . 1 1 12 12 ARG CG C 13 24.238 0.2 . 1 . . . . 12 ARG CG . 34014 1 136 . 1 1 12 12 ARG CD C 13 40.469 0.2 . 1 . . . . 12 ARG CD . 34014 1 137 . 1 1 12 12 ARG N N 15 120.427 0.2 . 1 . . . . 12 ARG N . 34014 1 138 . 1 1 13 13 LEU H H 1 7.884 0.01 . 1 . . . . 13 LEU H . 34014 1 139 . 1 1 13 13 LEU HA H 1 4.129 0.01 . 1 . . . . 13 LEU HA . 34014 1 140 . 1 1 13 13 LEU HB2 H 1 1.750 0.01 . 1 . . . . 13 LEU HB2 . 34014 1 141 . 1 1 13 13 LEU HB3 H 1 1.652 0.01 . 1 . . . . 13 LEU HB3 . 34014 1 142 . 1 1 13 13 LEU HG H 1 1.654 0.01 . 1 . . . . 13 LEU HG . 34014 1 143 . 1 1 13 13 LEU HD11 H 1 0.882 0.01 . 1 . . . . 13 LEU HD11 . 34014 1 144 . 1 1 13 13 LEU HD12 H 1 0.882 0.01 . 1 . . . . 13 LEU HD12 . 34014 1 145 . 1 1 13 13 LEU HD13 H 1 0.882 0.01 . 1 . . . . 13 LEU HD13 . 34014 1 146 . 1 1 13 13 LEU HD21 H 1 0.882 0.01 . 1 . . . . 13 LEU HD21 . 34014 1 147 . 1 1 13 13 LEU HD22 H 1 0.882 0.01 . 1 . . . . 13 LEU HD22 . 34014 1 148 . 1 1 13 13 LEU HD23 H 1 0.882 0.01 . 1 . . . . 13 LEU HD23 . 34014 1 149 . 1 1 13 13 LEU CA C 13 54.628 0.2 . 1 . . . . 13 LEU CA . 34014 1 150 . 1 1 13 13 LEU CB C 13 39.304 0.2 . 1 . . . . 13 LEU CB . 34014 1 151 . 1 1 13 13 LEU N N 15 120.239 0.2 . 1 . . . . 13 LEU N . 34014 1 152 . 1 1 14 14 ARG H H 1 7.239 0.01 . 1 . . . . 14 ARG H . 34014 1 153 . 1 1 14 14 ARG HA H 1 4.337 0.01 . 1 . . . . 14 ARG HA . 34014 1 154 . 1 1 14 14 ARG HB2 H 1 2.044 0.01 . 1 . . . . 14 ARG HB2 . 34014 1 155 . 1 1 14 14 ARG HB3 H 1 1.595 0.01 . 1 . . . . 14 ARG HB3 . 34014 1 156 . 1 1 14 14 ARG HG2 H 1 1.741 0.01 . 1 . . . . 14 ARG HG2 . 34014 1 157 . 1 1 14 14 ARG HG3 H 1 1.741 0.01 . 1 . . . . 14 ARG HG3 . 34014 1 158 . 1 1 14 14 ARG HD2 H 1 3.099 0.01 . 1 . . . . 14 ARG HD2 . 34014 1 159 . 1 1 14 14 ARG HD3 H 1 3.099 0.01 . 1 . . . . 14 ARG HD3 . 34014 1 160 . 1 1 14 14 ARG HE H 1 6.993 0.01 . 1 . . . . 14 ARG HE . 34014 1 161 . 1 1 14 14 ARG CA C 13 52.679 0.2 . 1 . . . . 14 ARG CA . 34014 1 162 . 1 1 14 14 ARG CD C 13 41.049 0.2 . 1 . . . . 14 ARG CD . 34014 1 163 . 1 1 14 14 ARG N N 15 117.284 0.2 . 1 . . . . 14 ARG N . 34014 1 164 . 1 1 15 15 ASN H H 1 8.007 0.01 . 1 . . . . 15 ASN H . 34014 1 165 . 1 1 15 15 ASN HA H 1 4.410 0.01 . 1 . . . . 15 ASN HA . 34014 1 166 . 1 1 15 15 ASN HB2 H 1 3.147 0.01 . 1 . . . . 15 ASN HB2 . 34014 1 167 . 1 1 15 15 ASN HB3 H 1 2.912 0.01 . 1 . . . . 15 ASN HB3 . 34014 1 168 . 1 1 15 15 ASN HD21 H 1 7.530 0.01 . 1 . . . . 15 ASN HD21 . 34014 1 169 . 1 1 15 15 ASN HD22 H 1 6.882 0.01 . 1 . . . . 15 ASN HD22 . 34014 1 170 . 1 1 15 15 ASN CA C 13 51.678 0.2 . 1 . . . . 15 ASN CA . 34014 1 171 . 1 1 15 15 ASN CB C 13 34.191 0.2 . 1 . . . . 15 ASN CB . 34014 1 172 . 1 1 15 15 ASN N N 15 112.907 0.2 . 1 . . . . 15 ASN N . 34014 1 173 . 1 1 16 16 GLY H H 1 8.005 0.01 . 1 . . . . 16 GLY H . 34014 1 174 . 1 1 16 16 GLY HA2 H 1 4.511 0.01 . 1 . . . . 16 GLY HA2 . 34014 1 175 . 1 1 16 16 GLY HA3 H 1 3.239 0.01 . 1 . . . . 16 GLY HA3 . 34014 1 176 . 1 1 16 16 GLY N N 15 105.090 0.2 . 1 . . . . 16 GLY N . 34014 1 177 . 1 1 17 17 ILE H H 1 8.677 0.01 . 1 . . . . 17 ILE H . 34014 1 178 . 1 1 17 17 ILE HA H 1 4.088 0.01 . 1 . . . . 17 ILE HA . 34014 1 179 . 1 1 17 17 ILE HB H 1 1.484 0.01 . 1 . . . . 17 ILE HB . 34014 1 180 . 1 1 17 17 ILE HG12 H 1 1.045 0.01 . 1 . . . . 17 ILE HG12 . 34014 1 181 . 1 1 17 17 ILE HG13 H 1 1.045 0.01 . 1 . . . . 17 ILE HG13 . 34014 1 182 . 1 1 17 17 ILE HG21 H 1 0.326 0.01 . 1 . . . . 17 ILE HG21 . 34014 1 183 . 1 1 17 17 ILE HG22 H 1 0.326 0.01 . 1 . . . . 17 ILE HG22 . 34014 1 184 . 1 1 17 17 ILE HG23 H 1 0.326 0.01 . 1 . . . . 17 ILE HG23 . 34014 1 185 . 1 1 17 17 ILE HD11 H 1 0.811 0.01 . 1 . . . . 17 ILE HD11 . 34014 1 186 . 1 1 17 17 ILE HD12 H 1 0.811 0.01 . 1 . . . . 17 ILE HD12 . 34014 1 187 . 1 1 17 17 ILE HD13 H 1 0.811 0.01 . 1 . . . . 17 ILE HD13 . 34014 1 188 . 1 1 17 17 ILE CA C 13 56.875 0.2 . 1 . . . . 17 ILE CA . 34014 1 189 . 1 1 17 17 ILE CB C 13 38.674 0.2 . 1 . . . . 17 ILE CB . 34014 1 190 . 1 1 17 17 ILE CG1 C 13 24.598 0.2 . 1 . . . . 17 ILE CG1 . 34014 1 191 . 1 1 17 17 ILE CG2 C 13 15.058 0.2 . 1 . . . . 17 ILE CG2 . 34014 1 192 . 1 1 17 17 ILE CD1 C 13 10.183 0.2 . 1 . . . . 17 ILE CD1 . 34014 1 193 . 1 1 17 17 ILE N N 15 119.314 0.2 . 1 . . . . 17 ILE N . 34014 1 194 . 1 1 18 18 CYS H H 1 8.571 0.01 . 1 . . . . 18 CYS H . 34014 1 195 . 1 1 18 18 CYS HA H 1 5.220 0.01 . 1 . . . . 18 CYS HA . 34014 1 196 . 1 1 18 18 CYS HB2 H 1 2.831 0.01 . 1 . . . . 18 CYS HB2 . 34014 1 197 . 1 1 18 18 CYS HB3 H 1 2.831 0.01 . 1 . . . . 18 CYS HB3 . 34014 1 198 . 1 1 18 18 CYS CA C 13 51.783 0.2 . 1 . . . . 18 CYS CA . 34014 1 199 . 1 1 18 18 CYS CB C 13 37.977 0.2 . 1 . . . . 18 CYS CB . 34014 1 200 . 1 1 18 18 CYS N N 15 125.455 0.2 . 1 . . . . 18 CYS N . 34014 1 201 . 1 1 19 19 PHE H H 1 9.815 0.01 . 1 . . . . 19 PHE H . 34014 1 202 . 1 1 19 19 PHE HA H 1 4.821 0.01 . 1 . . . . 19 PHE HA . 34014 1 203 . 1 1 19 19 PHE HB2 H 1 3.071 0.01 . 1 . . . . 19 PHE HB2 . 34014 1 204 . 1 1 19 19 PHE HB3 H 1 2.817 0.01 . 1 . . . . 19 PHE HB3 . 34014 1 205 . 1 1 19 19 PHE HD1 H 1 7.151 0.01 . 1 . . . . 19 PHE HD1 . 34014 1 206 . 1 1 19 19 PHE HD2 H 1 7.151 0.01 . 1 . . . . 19 PHE HD2 . 34014 1 207 . 1 1 19 19 PHE HE1 H 1 6.808 0.01 . 1 . . . . 19 PHE HE1 . 34014 1 208 . 1 1 19 19 PHE HE2 H 1 6.808 0.01 . 1 . . . . 19 PHE HE2 . 34014 1 209 . 1 1 19 19 PHE HZ H 1 6.480 0.01 . 1 . . . . 19 PHE HZ . 34014 1 210 . 1 1 19 19 PHE CA C 13 52.612 0.2 . 1 . . . . 19 PHE CA . 34014 1 211 . 1 1 19 19 PHE CB C 13 40.386 0.2 . 1 . . . . 19 PHE CB . 34014 1 212 . 1 1 19 19 PHE CD1 C 13 129.433 0.2 . 1 . . . . 19 PHE CD1 . 34014 1 213 . 1 1 19 19 PHE CD2 C 13 129.433 0.2 . 1 . . . . 19 PHE CD2 . 34014 1 214 . 1 1 19 19 PHE CE1 C 13 128.080 0.2 . 1 . . . . 19 PHE CE1 . 34014 1 215 . 1 1 19 19 PHE CE2 C 13 128.080 0.2 . 1 . . . . 19 PHE CE2 . 34014 1 216 . 1 1 19 19 PHE CZ C 13 126.756 0.2 . 1 . . . . 19 PHE CZ . 34014 1 217 . 1 1 19 19 PHE N N 15 131.725 0.2 . 1 . . . . 19 PHE N . 34014 1 218 . 1 1 20 20 PRO HA H 1 4.677 0.01 . 1 . . . . 20 PRO HA . 34014 1 219 . 1 1 20 20 PRO HB2 H 1 2.169 0.01 . 1 . . . . 20 PRO HB2 . 34014 1 220 . 1 1 20 20 PRO HB3 H 1 2.169 0.01 . 1 . . . . 20 PRO HB3 . 34014 1 221 . 1 1 20 20 PRO HG2 H 1 2.064 0.01 . 1 . . . . 20 PRO HG2 . 34014 1 222 . 1 1 20 20 PRO HG3 H 1 2.064 0.01 . 1 . . . . 20 PRO HG3 . 34014 1 223 . 1 1 20 20 PRO HD2 H 1 3.775 0.01 . 1 . . . . 20 PRO HD2 . 34014 1 224 . 1 1 20 20 PRO HD3 H 1 3.709 0.01 . 1 . . . . 20 PRO HD3 . 34014 1 225 . 1 1 20 20 PRO CA C 13 60.406 0.2 . 1 . . . . 20 PRO CA . 34014 1 226 . 1 1 20 20 PRO CB C 13 28.232 0.2 . 1 . . . . 20 PRO CB . 34014 1 227 . 1 1 20 20 PRO CG C 13 24.434 0.2 . 1 . . . . 20 PRO CG . 34014 1 228 . 1 1 20 20 PRO CD C 13 47.673 0.2 . 1 . . . . 20 PRO CD . 34014 1 229 . 1 1 21 21 GLY H H 1 8.001 0.01 . 1 . . . . 21 GLY H . 34014 1 230 . 1 1 21 21 GLY HA2 H 1 4.206 0.01 . 1 . . . . 21 GLY HA2 . 34014 1 231 . 1 1 21 21 GLY HA3 H 1 3.892 0.01 . 1 . . . . 21 GLY HA3 . 34014 1 232 . 1 1 21 21 GLY CA C 13 42.288 0.2 . 1 . . . . 21 GLY CA . 34014 1 233 . 1 1 21 21 GLY N N 15 109.553 0.2 . 1 . . . . 21 GLY N . 34014 1 234 . 1 1 22 22 ILE H H 1 7.835 0.01 . 1 . . . . 22 ILE H . 34014 1 235 . 1 1 22 22 ILE HA H 1 4.419 0.01 . 1 . . . . 22 ILE HA . 34014 1 236 . 1 1 22 22 ILE HB H 1 1.929 0.01 . 1 . . . . 22 ILE HB . 34014 1 237 . 1 1 22 22 ILE HG12 H 1 1.300 0.01 . 1 . . . . 22 ILE HG12 . 34014 1 238 . 1 1 22 22 ILE HG13 H 1 1.161 0.01 . 1 . . . . 22 ILE HG13 . 34014 1 239 . 1 1 22 22 ILE HG21 H 1 0.939 0.01 . 1 . . . . 22 ILE HG21 . 34014 1 240 . 1 1 22 22 ILE HG22 H 1 0.939 0.01 . 1 . . . . 22 ILE HG22 . 34014 1 241 . 1 1 22 22 ILE HG23 H 1 0.939 0.01 . 1 . . . . 22 ILE HG23 . 34014 1 242 . 1 1 22 22 ILE HD11 H 1 0.840 0.01 . 1 . . . . 22 ILE HD11 . 34014 1 243 . 1 1 22 22 ILE HD12 H 1 0.840 0.01 . 1 . . . . 22 ILE HD12 . 34014 1 244 . 1 1 22 22 ILE HD13 H 1 0.840 0.01 . 1 . . . . 22 ILE HD13 . 34014 1 245 . 1 1 22 22 ILE CA C 13 57.663 0.2 . 1 . . . . 22 ILE CA . 34014 1 246 . 1 1 22 22 ILE CB C 13 37.337 0.2 . 1 . . . . 22 ILE CB . 34014 1 247 . 1 1 22 22 ILE CG1 C 13 23.721 0.2 . 1 . . . . 22 ILE CG1 . 34014 1 248 . 1 1 22 22 ILE CG2 C 13 14.870 0.2 . 1 . . . . 22 ILE CG2 . 34014 1 249 . 1 1 22 22 ILE CD1 C 13 10.268 0.2 . 1 . . . . 22 ILE CD1 . 34014 1 250 . 1 1 22 22 ILE N N 15 118.232 0.2 . 1 . . . . 22 ILE N . 34014 1 251 . 1 1 23 23 CYS H H 1 8.653 0.01 . 1 . . . . 23 CYS H . 34014 1 252 . 1 1 23 23 CYS HA H 1 4.230 0.01 . 1 . . . . 23 CYS HA . 34014 1 253 . 1 1 23 23 CYS HB2 H 1 2.750 0.01 . 1 . . . . 23 CYS HB2 . 34014 1 254 . 1 1 23 23 CYS HB3 H 1 2.476 0.01 . 1 . . . . 23 CYS HB3 . 34014 1 255 . 1 1 23 23 CYS CA C 13 50.918 0.2 . 1 . . . . 23 CYS CA . 34014 1 256 . 1 1 23 23 CYS CB C 13 36.430 0.2 . 1 . . . . 23 CYS CB . 34014 1 257 . 1 1 23 23 CYS N N 15 119.505 0.2 . 1 . . . . 23 CYS N . 34014 1 258 . 1 1 24 24 ARG H H 1 7.981 0.01 . 1 . . . . 24 ARG H . 34014 1 259 . 1 1 24 24 ARG HA H 1 4.574 0.01 . 1 . . . . 24 ARG HA . 34014 1 260 . 1 1 24 24 ARG HB2 H 1 1.815 0.01 . 1 . . . . 24 ARG HB2 . 34014 1 261 . 1 1 24 24 ARG HB3 H 1 1.815 0.01 . 1 . . . . 24 ARG HB3 . 34014 1 262 . 1 1 24 24 ARG HG2 H 1 1.612 0.01 . 1 . . . . 24 ARG HG2 . 34014 1 263 . 1 1 24 24 ARG HG3 H 1 1.609 0.01 . 1 . . . . 24 ARG HG3 . 34014 1 264 . 1 1 24 24 ARG HD2 H 1 3.184 0.01 . 1 . . . . 24 ARG HD2 . 34014 1 265 . 1 1 24 24 ARG HD3 H 1 3.184 0.01 . 1 . . . . 24 ARG HD3 . 34014 1 266 . 1 1 24 24 ARG HE H 1 7.210 0.01 . 1 . . . . 24 ARG HE . 34014 1 267 . 1 1 24 24 ARG CA C 13 51.319 0.2 . 1 . . . . 24 ARG CA . 34014 1 268 . 1 1 24 24 ARG CB C 13 29.307 0.2 . 1 . . . . 24 ARG CB . 34014 1 269 . 1 1 24 24 ARG CG C 13 24.411 0.2 . 1 . . . . 24 ARG CG . 34014 1 270 . 1 1 24 24 ARG CD C 13 40.541 0.2 . 1 . . . . 24 ARG CD . 34014 1 271 . 1 1 24 24 ARG N N 15 123.459 0.2 . 1 . . . . 24 ARG N . 34014 1 272 . 1 1 25 25 ARG HA H 1 4.294 0.01 . 1 . . . . 25 ARG HA . 34014 1 273 . 1 1 25 25 ARG HB2 H 1 1.742 0.01 . 1 . . . . 25 ARG HB2 . 34014 1 274 . 1 1 25 25 ARG HB3 H 1 1.742 0.01 . 1 . . . . 25 ARG HB3 . 34014 1 275 . 1 1 25 25 ARG HG2 H 1 1.566 0.01 . 1 . . . . 25 ARG HG2 . 34014 1 276 . 1 1 25 25 ARG HG3 H 1 1.561 0.01 . 1 . . . . 25 ARG HG3 . 34014 1 277 . 1 1 25 25 ARG HD2 H 1 3.089 0.01 . 1 . . . . 25 ARG HD2 . 34014 1 278 . 1 1 25 25 ARG HD3 H 1 3.089 0.01 . 1 . . . . 25 ARG HD3 . 34014 1 279 . 1 1 25 25 ARG HE H 1 7.131 0.01 . 1 . . . . 25 ARG HE . 34014 1 280 . 1 1 25 25 ARG CA C 13 53.161 0.2 . 1 . . . . 25 ARG CA . 34014 1 281 . 1 1 25 25 ARG CB C 13 26.641 0.2 . 1 . . . . 25 ARG CB . 34014 1 282 . 1 1 26 26 PRO HA H 1 4.447 0.01 . 1 . . . . 26 PRO HA . 34014 1 283 . 1 1 26 26 PRO HB2 H 1 2.282 0.01 . 1 . . . . 26 PRO HB2 . 34014 1 284 . 1 1 26 26 PRO HB3 H 1 1.861 0.01 . 1 . . . . 26 PRO HB3 . 34014 1 285 . 1 1 26 26 PRO HG2 H 1 2.105 0.01 . 1 . . . . 26 PRO HG2 . 34014 1 286 . 1 1 26 26 PRO HG3 H 1 1.072 0.01 . 1 . . . . 26 PRO HG3 . 34014 1 287 . 1 1 26 26 PRO HD2 H 1 3.514 0.01 . 1 . . . . 26 PRO HD2 . 34014 1 288 . 1 1 26 26 PRO HD3 H 1 3.514 0.01 . 1 . . . . 26 PRO HD3 . 34014 1 289 . 1 1 26 26 PRO CA C 13 61.318 0.2 . 1 . . . . 26 PRO CA . 34014 1 290 . 1 1 26 26 PRO CB C 13 29.346 0.2 . 1 . . . . 26 PRO CB . 34014 1 291 . 1 1 26 26 PRO CG C 13 24.390 0.2 . 1 . . . . 26 PRO CG . 34014 1 292 . 1 1 26 26 PRO CD C 13 47.561 0.2 . 1 . . . . 26 PRO CD . 34014 1 293 . 1 1 27 27 TYR H H 1 9.334 0.01 . 1 . . . . 27 TYR H . 34014 1 294 . 1 1 27 27 TYR HA H 1 5.048 0.01 . 1 . . . . 27 TYR HA . 34014 1 295 . 1 1 27 27 TYR HB2 H 1 3.036 0.01 . 1 . . . . 27 TYR HB2 . 34014 1 296 . 1 1 27 27 TYR HB3 H 1 2.680 0.01 . 1 . . . . 27 TYR HB3 . 34014 1 297 . 1 1 27 27 TYR HD1 H 1 6.936 0.01 . 1 . . . . 27 TYR HD1 . 34014 1 298 . 1 1 27 27 TYR HD2 H 1 6.936 0.01 . 1 . . . . 27 TYR HD2 . 34014 1 299 . 1 1 27 27 TYR HE1 H 1 6.872 0.01 . 1 . . . . 27 TYR HE1 . 34014 1 300 . 1 1 27 27 TYR HE2 H 1 6.872 0.01 . 1 . . . . 27 TYR HE2 . 34014 1 301 . 1 1 27 27 TYR CA C 13 55.703 0.2 . 1 . . . . 27 TYR CA . 34014 1 302 . 1 1 27 27 TYR CD1 C 13 130.296 0.2 . 1 . . . . 27 TYR CD1 . 34014 1 303 . 1 1 27 27 TYR CD2 C 13 130.296 0.2 . 1 . . . . 27 TYR CD2 . 34014 1 304 . 1 1 27 27 TYR CE1 C 13 115.857 0.2 . 1 . . . . 27 TYR CE1 . 34014 1 305 . 1 1 27 27 TYR CE2 C 13 115.857 0.2 . 1 . . . . 27 TYR CE2 . 34014 1 306 . 1 1 27 27 TYR N N 15 127.346 0.2 . 1 . . . . 27 TYR N . 34014 1 307 . 1 1 28 28 TYR H H 1 9.092 0.01 . 1 . . . . 28 TYR H . 34014 1 308 . 1 1 28 28 TYR HA H 1 4.891 0.01 . 1 . . . . 28 TYR HA . 34014 1 309 . 1 1 28 28 TYR HB2 H 1 3.076 0.01 . 1 . . . . 28 TYR HB2 . 34014 1 310 . 1 1 28 28 TYR HB3 H 1 2.968 0.01 . 1 . . . . 28 TYR HB3 . 34014 1 311 . 1 1 28 28 TYR HD1 H 1 6.994 0.01 . 1 . . . . 28 TYR HD1 . 34014 1 312 . 1 1 28 28 TYR HD2 H 1 6.994 0.01 . 1 . . . . 28 TYR HD2 . 34014 1 313 . 1 1 28 28 TYR HE1 H 1 6.585 0.01 . 1 . . . . 28 TYR HE1 . 34014 1 314 . 1 1 28 28 TYR HE2 H 1 6.585 0.01 . 1 . . . . 28 TYR HE2 . 34014 1 315 . 1 1 28 28 TYR CA C 13 53.173 0.2 . 1 . . . . 28 TYR CA . 34014 1 316 . 1 1 28 28 TYR CD1 C 13 131.434 0.2 . 1 . . . . 28 TYR CD1 . 34014 1 317 . 1 1 28 28 TYR CD2 C 13 131.434 0.2 . 1 . . . . 28 TYR CD2 . 34014 1 318 . 1 1 28 28 TYR CE1 C 13 115.047 0.2 . 1 . . . . 28 TYR CE1 . 34014 1 319 . 1 1 28 28 TYR CE2 C 13 115.047 0.2 . 1 . . . . 28 TYR CE2 . 34014 1 320 . 1 1 28 28 TYR N N 15 116.456 0.2 . 1 . . . . 28 TYR N . 34014 1 321 . 1 1 29 29 TRP H H 1 8.867 0.01 . 1 . . . . 29 TRP H . 34014 1 322 . 1 1 29 29 TRP HA H 1 4.710 0.01 . 1 . . . . 29 TRP HA . 34014 1 323 . 1 1 29 29 TRP HB2 H 1 3.373 0.01 . 1 . . . . 29 TRP HB2 . 34014 1 324 . 1 1 29 29 TRP HB3 H 1 3.307 0.01 . 1 . . . . 29 TRP HB3 . 34014 1 325 . 1 1 29 29 TRP HD1 H 1 7.429 0.01 . 1 . . . . 29 TRP HD1 . 34014 1 326 . 1 1 29 29 TRP HE1 H 1 10.209 0.01 . 1 . . . . 29 TRP HE1 . 34014 1 327 . 1 1 29 29 TRP HE3 H 1 7.463 0.01 . 1 . . . . 29 TRP HE3 . 34014 1 328 . 1 1 29 29 TRP HZ2 H 1 7.357 0.01 . 1 . . . . 29 TRP HZ2 . 34014 1 329 . 1 1 29 29 TRP HZ3 H 1 7.083 0.01 . 1 . . . . 29 TRP HZ3 . 34014 1 330 . 1 1 29 29 TRP HH2 H 1 7.189 0.01 . 1 . . . . 29 TRP HH2 . 34014 1 331 . 1 1 29 29 TRP CA C 13 57.954 0.2 . 1 . . . . 29 TRP CA . 34014 1 332 . 1 1 29 29 TRP CB C 13 28.171 0.2 . 1 . . . . 29 TRP CB . 34014 1 333 . 1 1 29 29 TRP CD1 C 13 125.639 0.2 . 1 . . . . 29 TRP CD1 . 34014 1 334 . 1 1 29 29 TRP CE3 C 13 118.393 0.2 . 1 . . . . 29 TRP CE3 . 34014 1 335 . 1 1 29 29 TRP CZ2 C 13 111.671 0.2 . 1 . . . . 29 TRP CZ2 . 34014 1 336 . 1 1 29 29 TRP CZ3 C 13 119.239 0.2 . 1 . . . . 29 TRP CZ3 . 34014 1 337 . 1 1 29 29 TRP CH2 C 13 121.867 0.2 . 1 . . . . 29 TRP CH2 . 34014 1 338 . 1 1 29 29 TRP N N 15 124.312 0.2 . 1 . . . . 29 TRP N . 34014 1 339 . 1 1 29 29 TRP NE1 N 15 131.779 0.2 . 1 . . . . 29 TRP NE1 . 34014 1 340 . 1 1 30 30 ILE H H 1 8.621 0.01 . 1 . . . . 30 ILE H . 34014 1 341 . 1 1 30 30 ILE HA H 1 4.561 0.01 . 1 . . . . 30 ILE HA . 34014 1 342 . 1 1 30 30 ILE HB H 1 1.940 0.01 . 1 . . . . 30 ILE HB . 34014 1 343 . 1 1 30 30 ILE HG12 H 1 0.514 0.01 . 1 . . . . 30 ILE HG12 . 34014 1 344 . 1 1 30 30 ILE HG13 H 1 0.514 0.01 . 1 . . . . 30 ILE HG13 . 34014 1 345 . 1 1 30 30 ILE HG21 H 1 0.827 0.01 . 1 . . . . 30 ILE HG21 . 34014 1 346 . 1 1 30 30 ILE HG22 H 1 0.827 0.01 . 1 . . . . 30 ILE HG22 . 34014 1 347 . 1 1 30 30 ILE HG23 H 1 0.827 0.01 . 1 . . . . 30 ILE HG23 . 34014 1 348 . 1 1 30 30 ILE HD11 H 1 0.617 0.01 . 1 . . . . 30 ILE HD11 . 34014 1 349 . 1 1 30 30 ILE HD12 H 1 0.617 0.01 . 1 . . . . 30 ILE HD12 . 34014 1 350 . 1 1 30 30 ILE HD13 H 1 0.617 0.01 . 1 . . . . 30 ILE HD13 . 34014 1 351 . 1 1 30 30 ILE CA C 13 58.257 0.2 . 1 . . . . 30 ILE CA . 34014 1 352 . 1 1 30 30 ILE CB C 13 37.670 0.2 . 1 . . . . 30 ILE CB . 34014 1 353 . 1 1 30 30 ILE CG1 C 13 23.520 0.2 . 1 . . . . 30 ILE CG1 . 34014 1 354 . 1 1 30 30 ILE CG2 C 13 16.108 0.2 . 1 . . . . 30 ILE CG2 . 34014 1 355 . 1 1 30 30 ILE CD1 C 13 12.179 0.2 . 1 . . . . 30 ILE CD1 . 34014 1 356 . 1 1 30 30 ILE N N 15 118.022 0.2 . 1 . . . . 30 ILE N . 34014 1 357 . 1 1 31 31 GLY H H 1 5.910 0.01 . 1 . . . . 31 GLY H . 34014 1 358 . 1 1 31 31 GLY HA2 H 1 3.718 0.01 . 1 . . . . 31 GLY HA2 . 34014 1 359 . 1 1 31 31 GLY HA3 H 1 2.980 0.01 . 1 . . . . 31 GLY HA3 . 34014 1 360 . 1 1 32 32 THR H H 1 8.265 0.01 . 1 . . . . 32 THR H . 34014 1 361 . 1 1 32 32 THR HA H 1 4.956 0.01 . 1 . . . . 32 THR HA . 34014 1 362 . 1 1 32 32 THR HB H 1 4.317 0.01 . 1 . . . . 32 THR HB . 34014 1 363 . 1 1 32 32 THR HG21 H 1 1.535 0.01 . 1 . . . . 32 THR HG21 . 34014 1 364 . 1 1 32 32 THR HG22 H 1 1.535 0.01 . 1 . . . . 32 THR HG22 . 34014 1 365 . 1 1 32 32 THR HG23 H 1 1.535 0.01 . 1 . . . . 32 THR HG23 . 34014 1 366 . 1 1 32 32 THR CA C 13 57.678 0.2 . 1 . . . . 32 THR CA . 34014 1 367 . 1 1 32 32 THR CB C 13 68.746 0.2 . 1 . . . . 32 THR CB . 34014 1 368 . 1 1 32 32 THR CG2 C 13 18.914 0.2 . 1 . . . . 32 THR CG2 . 34014 1 369 . 1 1 32 32 THR N N 15 110.239 0.2 . 1 . . . . 32 THR N . 34014 1 370 . 1 1 33 33 CYS H H 1 7.829 0.01 . 1 . . . . 33 CYS H . 34014 1 371 . 1 1 33 33 CYS HA H 1 4.852 0.01 . 1 . . . . 33 CYS HA . 34014 1 372 . 1 1 33 33 CYS HB2 H 1 3.500 0.01 . 1 . . . . 33 CYS HB2 . 34014 1 373 . 1 1 33 33 CYS HB3 H 1 3.264 0.01 . 1 . . . . 33 CYS HB3 . 34014 1 374 . 1 1 33 33 CYS CA C 13 54.044 0.2 . 1 . . . . 33 CYS CA . 34014 1 375 . 1 1 33 33 CYS N N 15 114.880 0.2 . 1 . . . . 33 CYS N . 34014 1 376 . 1 1 34 34 ASN H H 1 9.223 0.01 . 1 . . . . 34 ASN H . 34014 1 377 . 1 1 34 34 ASN HA H 1 4.390 0.01 . 1 . . . . 34 ASN HA . 34014 1 378 . 1 1 34 34 ASN HB2 H 1 3.040 0.01 . 1 . . . . 34 ASN HB2 . 34014 1 379 . 1 1 34 34 ASN HB3 H 1 2.582 0.01 . 1 . . . . 34 ASN HB3 . 34014 1 380 . 1 1 34 34 ASN HD21 H 1 7.504 0.01 . 1 . . . . 34 ASN HD21 . 34014 1 381 . 1 1 34 34 ASN HD22 H 1 6.879 0.01 . 1 . . . . 34 ASN HD22 . 34014 1 382 . 1 1 34 34 ASN CA C 13 51.260 0.2 . 1 . . . . 34 ASN CA . 34014 1 383 . 1 1 34 34 ASN CB C 13 34.391 0.2 . 1 . . . . 34 ASN CB . 34014 1 384 . 1 1 34 34 ASN N N 15 119.258 0.2 . 1 . . . . 34 ASN N . 34014 1 385 . 1 1 34 34 ASN ND2 N 15 112.686 0.2 . 1 . . . . 34 ASN ND2 . 34014 1 386 . 1 1 35 35 ASN H H 1 8.950 0.01 . 1 . . . . 35 ASN H . 34014 1 387 . 1 1 35 35 ASN HA H 1 4.328 0.01 . 1 . . . . 35 ASN HA . 34014 1 388 . 1 1 35 35 ASN HB2 H 1 3.053 0.01 . 1 . . . . 35 ASN HB2 . 34014 1 389 . 1 1 35 35 ASN HB3 H 1 2.827 0.01 . 1 . . . . 35 ASN HB3 . 34014 1 390 . 1 1 35 35 ASN HD21 H 1 7.557 0.01 . 1 . . . . 35 ASN HD21 . 34014 1 391 . 1 1 35 35 ASN HD22 H 1 6.879 0.01 . 1 . . . . 35 ASN HD22 . 34014 1 392 . 1 1 35 35 ASN CA C 13 51.620 0.2 . 1 . . . . 35 ASN CA . 34014 1 393 . 1 1 35 35 ASN CB C 13 34.709 0.2 . 1 . . . . 35 ASN CB . 34014 1 394 . 1 1 35 35 ASN N N 15 115.216 0.2 . 1 . . . . 35 ASN N . 34014 1 395 . 1 1 35 35 ASN ND2 N 15 113.198 0.2 . 1 . . . . 35 ASN ND2 . 34014 1 396 . 1 1 36 36 GLY H H 1 7.800 0.01 . 1 . . . . 36 GLY H . 34014 1 397 . 1 1 36 36 GLY HA2 H 1 4.381 0.01 . 1 . . . . 36 GLY HA2 . 34014 1 398 . 1 1 36 36 GLY HA3 H 1 3.613 0.01 . 1 . . . . 36 GLY HA3 . 34014 1 399 . 1 1 36 36 GLY N N 15 104.391 0.2 . 1 . . . . 36 GLY N . 34014 1 400 . 1 1 37 37 ILE H H 1 7.509 0.01 . 1 . . . . 37 ILE H . 34014 1 401 . 1 1 37 37 ILE HA H 1 4.391 0.01 . 1 . . . . 37 ILE HA . 34014 1 402 . 1 1 37 37 ILE HB H 1 2.128 0.01 . 1 . . . . 37 ILE HB . 34014 1 403 . 1 1 37 37 ILE HG12 H 1 1.491 0.01 . 1 . . . . 37 ILE HG12 . 34014 1 404 . 1 1 37 37 ILE HG13 H 1 1.366 0.01 . 1 . . . . 37 ILE HG13 . 34014 1 405 . 1 1 37 37 ILE HG21 H 1 0.979 0.01 . 1 . . . . 37 ILE HG21 . 34014 1 406 . 1 1 37 37 ILE HG22 H 1 0.979 0.01 . 1 . . . . 37 ILE HG22 . 34014 1 407 . 1 1 37 37 ILE HG23 H 1 0.979 0.01 . 1 . . . . 37 ILE HG23 . 34014 1 408 . 1 1 37 37 ILE HD11 H 1 0.889 0.01 . 1 . . . . 37 ILE HD11 . 34014 1 409 . 1 1 37 37 ILE HD12 H 1 0.889 0.01 . 1 . . . . 37 ILE HD12 . 34014 1 410 . 1 1 37 37 ILE HD13 H 1 0.889 0.01 . 1 . . . . 37 ILE HD13 . 34014 1 411 . 1 1 37 37 ILE CA C 13 59.028 0.2 . 1 . . . . 37 ILE CA . 34014 1 412 . 1 1 37 37 ILE CB C 13 36.201 0.2 . 1 . . . . 37 ILE CB . 34014 1 413 . 1 1 37 37 ILE CG1 C 13 24.257 0.2 . 1 . . . . 37 ILE CG1 . 34014 1 414 . 1 1 37 37 ILE CG2 C 13 14.933 0.2 . 1 . . . . 37 ILE CG2 . 34014 1 415 . 1 1 37 37 ILE CD1 C 13 10.247 0.2 . 1 . . . . 37 ILE CD1 . 34014 1 416 . 1 1 37 37 ILE N N 15 117.474 0.2 . 1 . . . . 37 ILE N . 34014 1 417 . 1 1 38 38 GLY H H 1 8.245 0.01 . 1 . . . . 38 GLY H . 34014 1 418 . 1 1 38 38 GLY HA2 H 1 4.620 0.01 . 1 . . . . 38 GLY HA2 . 34014 1 419 . 1 1 38 38 GLY HA3 H 1 3.709 0.01 . 1 . . . . 38 GLY HA3 . 34014 1 420 . 1 1 38 38 GLY N N 15 109.137 0.2 . 1 . . . . 38 GLY N . 34014 1 421 . 1 1 39 39 SER H H 1 8.966 0.01 . 1 . . . . 39 SER H . 34014 1 422 . 1 1 39 39 SER HA H 1 4.837 0.01 . 1 . . . . 39 SER HA . 34014 1 423 . 1 1 39 39 SER HB2 H 1 4.009 0.01 . 1 . . . . 39 SER HB2 . 34014 1 424 . 1 1 39 39 SER HB3 H 1 3.937 0.01 . 1 . . . . 39 SER HB3 . 34014 1 425 . 1 1 39 39 SER HG H 1 5.761 0.01 . 1 . . . . 39 SER HG . 34014 1 426 . 1 1 39 39 SER CB C 13 63.056 0.2 . 1 . . . . 39 SER CB . 34014 1 427 . 1 1 39 39 SER N N 15 117.008 0.2 . 1 . . . . 39 SER N . 34014 1 428 . 1 1 40 40 CYS H H 1 8.801 0.01 . 1 . . . . 40 CYS H . 34014 1 429 . 1 1 40 40 CYS HA H 1 4.804 0.01 . 1 . . . . 40 CYS HA . 34014 1 430 . 1 1 40 40 CYS HB2 H 1 2.214 0.01 . 1 . . . . 40 CYS HB2 . 34014 1 431 . 1 1 40 40 CYS HB3 H 1 2.093 0.01 . 1 . . . . 40 CYS HB3 . 34014 1 432 . 1 1 40 40 CYS N N 15 125.428 0.2 . 1 . . . . 40 CYS N . 34014 1 433 . 1 1 41 41 CYS H H 1 9.246 0.01 . 1 . . . . 41 CYS H . 34014 1 434 . 1 1 41 41 CYS HA H 1 5.535 0.01 . 1 . . . . 41 CYS HA . 34014 1 435 . 1 1 41 41 CYS HB2 H 1 2.990 0.01 . 1 . . . . 41 CYS HB2 . 34014 1 436 . 1 1 41 41 CYS HB3 H 1 2.686 0.01 . 1 . . . . 41 CYS HB3 . 34014 1 437 . 1 1 41 41 CYS CA C 13 49.756 0.2 . 1 . . . . 41 CYS CA . 34014 1 438 . 1 1 41 41 CYS N N 15 127.164 0.2 . 1 . . . . 41 CYS N . 34014 1 439 . 1 1 42 42 ALA H H 1 9.042 0.01 . 1 . . . . 42 ALA H . 34014 1 440 . 1 1 42 42 ALA HA H 1 4.927 0.01 . 1 . . . . 42 ALA HA . 34014 1 441 . 1 1 42 42 ALA HB1 H 1 1.070 0.01 . 1 . . . . 42 ALA HB1 . 34014 1 442 . 1 1 42 42 ALA HB2 H 1 1.070 0.01 . 1 . . . . 42 ALA HB2 . 34014 1 443 . 1 1 42 42 ALA HB3 H 1 1.070 0.01 . 1 . . . . 42 ALA HB3 . 34014 1 444 . 1 1 42 42 ALA CA C 13 47.606 0.2 . 1 . . . . 42 ALA CA . 34014 1 445 . 1 1 42 42 ALA CB C 13 19.585 0.2 . 1 . . . . 42 ALA CB . 34014 1 446 . 1 1 42 42 ALA N N 15 125.603 0.2 . 1 . . . . 42 ALA N . 34014 1 447 . 1 1 43 43 ARG H H 1 8.710 0.01 . 1 . . . . 43 ARG H . 34014 1 448 . 1 1 43 43 ARG HA H 1 4.155 0.01 . 1 . . . . 43 ARG HA . 34014 1 449 . 1 1 43 43 ARG HB2 H 1 1.517 0.01 . 1 . . . . 43 ARG HB2 . 34014 1 450 . 1 1 43 43 ARG HB3 H 1 1.442 0.01 . 1 . . . . 43 ARG HB3 . 34014 1 451 . 1 1 43 43 ARG HG2 H 1 1.277 0.01 . 1 . . . . 43 ARG HG2 . 34014 1 452 . 1 1 43 43 ARG HG3 H 1 1.069 0.01 . 1 . . . . 43 ARG HG3 . 34014 1 453 . 1 1 43 43 ARG HD2 H 1 2.820 0.01 . 1 . . . . 43 ARG HD2 . 34014 1 454 . 1 1 43 43 ARG HD3 H 1 2.757 0.01 . 1 . . . . 43 ARG HD3 . 34014 1 455 . 1 1 43 43 ARG HE H 1 7.006 0.01 . 1 . . . . 43 ARG HE . 34014 1 456 . 1 1 43 43 ARG CG C 13 24.517 0.2 . 1 . . . . 43 ARG CG . 34014 1 457 . 1 1 43 43 ARG CD C 13 40.230 0.2 . 1 . . . . 43 ARG CD . 34014 1 458 . 1 1 43 43 ARG N N 15 119.494 0.2 . 1 . . . . 43 ARG N . 34014 1 459 . 1 1 44 44 GLY H H 1 8.465 0.01 . 1 . . . . 44 GLY H . 34014 1 460 . 1 1 44 44 GLY HA2 H 1 4.224 0.01 . 1 . . . . 44 GLY HA2 . 34014 1 461 . 1 1 44 44 GLY HA3 H 1 3.888 0.01 . 1 . . . . 44 GLY HA3 . 34014 1 462 . 1 1 44 44 GLY CA C 13 42.225 0.2 . 1 . . . . 44 GLY CA . 34014 1 463 . 1 1 44 44 GLY N N 15 112.215 0.2 . 1 . . . . 44 GLY N . 34014 1 464 . 1 1 45 45 TRP H H 1 8.145 0.01 . 1 . . . . 45 TRP H . 34014 1 465 . 1 1 45 45 TRP HA H 1 4.584 0.01 . 1 . . . . 45 TRP HA . 34014 1 466 . 1 1 45 45 TRP HB2 H 1 3.255 0.01 . 1 . . . . 45 TRP HB2 . 34014 1 467 . 1 1 45 45 TRP HB3 H 1 3.184 0.01 . 1 . . . . 45 TRP HB3 . 34014 1 468 . 1 1 45 45 TRP HD1 H 1 7.225 0.01 . 1 . . . . 45 TRP HD1 . 34014 1 469 . 1 1 45 45 TRP HE1 H 1 10.095 0.01 . 1 . . . . 45 TRP HE1 . 34014 1 470 . 1 1 45 45 TRP HE3 H 1 7.565 0.01 . 1 . . . . 45 TRP HE3 . 34014 1 471 . 1 1 45 45 TRP HZ2 H 1 7.466 0.01 . 1 . . . . 45 TRP HZ2 . 34014 1 472 . 1 1 45 45 TRP HZ3 H 1 7.069 0.01 . 1 . . . . 45 TRP HZ3 . 34014 1 473 . 1 1 45 45 TRP HH2 H 1 7.191 0.01 . 1 . . . . 45 TRP HH2 . 34014 1 474 . 1 1 45 45 TRP CA C 13 54.786 0.2 . 1 . . . . 45 TRP CA . 34014 1 475 . 1 1 45 45 TRP CB C 13 27.140 0.2 . 1 . . . . 45 TRP CB . 34014 1 476 . 1 1 45 45 TRP CD1 C 13 124.518 0.2 . 1 . . . . 45 TRP CD1 . 34014 1 477 . 1 1 45 45 TRP CE3 C 13 118.143 0.2 . 1 . . . . 45 TRP CE3 . 34014 1 478 . 1 1 45 45 TRP CZ2 C 13 111.843 0.2 . 1 . . . . 45 TRP CZ2 . 34014 1 479 . 1 1 45 45 TRP CZ3 C 13 119.239 0.2 . 1 . . . . 45 TRP CZ3 . 34014 1 480 . 1 1 45 45 TRP CH2 C 13 121.867 0.2 . 1 . . . . 45 TRP CH2 . 34014 1 481 . 1 1 45 45 TRP N N 15 120.831 0.2 . 1 . . . . 45 TRP N . 34014 1 482 . 1 1 45 45 TRP NE1 N 15 129.415 0.2 . 1 . . . . 45 TRP NE1 . 34014 1 483 . 1 1 46 46 ARG H H 1 7.973 0.01 . 1 . . . . 46 ARG H . 34014 1 484 . 1 1 46 46 ARG HA H 1 4.238 0.01 . 1 . . . . 46 ARG HA . 34014 1 485 . 1 1 46 46 ARG HB2 H 1 1.734 0.01 . 1 . . . . 46 ARG HB2 . 34014 1 486 . 1 1 46 46 ARG HB3 H 1 1.546 0.01 . 1 . . . . 46 ARG HB3 . 34014 1 487 . 1 1 46 46 ARG HG2 H 1 1.366 0.01 . 1 . . . . 46 ARG HG2 . 34014 1 488 . 1 1 46 46 ARG HG3 H 1 1.366 0.01 . 1 . . . . 46 ARG HG3 . 34014 1 489 . 1 1 46 46 ARG HD2 H 1 3.033 0.01 . 1 . . . . 46 ARG HD2 . 34014 1 490 . 1 1 46 46 ARG HD3 H 1 3.033 0.01 . 1 . . . . 46 ARG HD3 . 34014 1 491 . 1 1 46 46 ARG HE H 1 7.064 0.01 . 1 . . . . 46 ARG HE . 34014 1 492 . 1 1 46 46 ARG CB C 13 28.275 0.2 . 1 . . . . 46 ARG CB . 34014 1 493 . 1 1 46 46 ARG CG C 13 24.034 0.2 . 1 . . . . 46 ARG CG . 34014 1 494 . 1 1 46 46 ARG CD C 13 40.493 0.2 . 1 . . . . 46 ARG CD . 34014 1 495 . 1 1 46 46 ARG N N 15 122.395 0.2 . 1 . . . . 46 ARG N . 34014 1 496 . 1 1 47 47 SER H H 1 7.857 0.01 . 1 . . . . 47 SER H . 34014 1 497 . 1 1 47 47 SER HA H 1 4.154 0.01 . 1 . . . . 47 SER HA . 34014 1 498 . 1 1 47 47 SER HB2 H 1 3.814 0.01 . 1 . . . . 47 SER HB2 . 34014 1 499 . 1 1 47 47 SER HB3 H 1 3.814 0.01 . 1 . . . . 47 SER HB3 . 34014 1 500 . 1 1 47 47 SER CA C 13 57.254 0.2 . 1 . . . . 47 SER CA . 34014 1 501 . 1 1 47 47 SER CB C 13 61.971 0.2 . 1 . . . . 47 SER CB . 34014 1 502 . 1 1 47 47 SER N N 15 122.525 0.2 . 1 . . . . 47 SER N . 34014 1 stop_ save_