################################### # 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_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 19059 _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 $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.01 _Assigned_chem_shift_list.Chem_shift_13C_err 0.01 _Assigned_chem_shift_list.Chem_shift_15N_err 0.01 _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 NOESY' . . . 19059 1 3 '2D 1H-15N HSQC' . . . 19059 1 4 '2D 1H-13C HSQC' . . . 19059 1 6 '3D HNCACB' . . . 19059 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 LYS HA H 1 3.88 0.01 . 1 . . . A 308 LYS HA . 19059 1 2 . 1 1 1 1 LYS HB2 H 1 1.82 0.01 . 1 . . . A 308 LYS HB2 . 19059 1 3 . 1 1 1 1 LYS HB3 H 1 1.82 0.01 . 1 . . . A 308 LYS HB3 . 19059 1 4 . 1 1 1 1 LYS HG2 H 1 1.38 0.01 . 1 . . . A 308 LYS HG2 . 19059 1 5 . 1 1 1 1 LYS HG3 H 1 1.38 0.01 . 1 . . . A 308 LYS HG3 . 19059 1 6 . 1 1 1 1 LYS HD2 H 1 1.68 0.01 . 1 . . . A 308 LYS HD2 . 19059 1 7 . 1 1 1 1 LYS HD3 H 1 1.68 0.01 . 1 . . . A 308 LYS HD3 . 19059 1 8 . 1 1 1 1 LYS HE2 H 1 2.99 0.01 . 1 . . . A 308 LYS HE2 . 19059 1 9 . 1 1 1 1 LYS HE3 H 1 2.99 0.01 . 1 . . . A 308 LYS HE3 . 19059 1 10 . 1 1 1 1 LYS C C 13 175.67 0.01 . 1 . . . A 308 LYS C . 19059 1 11 . 1 1 1 1 LYS CA C 13 56.82 0.01 . 1 . . . A 308 LYS CA . 19059 1 12 . 1 1 1 1 LYS CB C 13 33.14 0.01 . 1 . . . A 308 LYS CB . 19059 1 13 . 1 1 1 1 LYS CG C 13 23.49 0.01 . 1 . . . A 308 LYS CG . 19059 1 14 . 1 1 1 1 LYS CD C 13 28.71 0.01 . 1 . . . A 308 LYS CD . 19059 1 15 . 1 1 1 1 LYS CE C 13 41.49 0.01 . 1 . . . A 308 LYS CE . 19059 1 16 . 1 1 2 2 PHE H H 1 7.35 0.01 . 1 . . . A 309 PHE H . 19059 1 17 . 1 1 2 2 PHE HA H 1 4.94 0.01 . 1 . . . A 309 PHE HA . 19059 1 18 . 1 1 2 2 PHE HB2 H 1 3.21 0.01 . 2 . . . A 309 PHE HB2 . 19059 1 19 . 1 1 2 2 PHE HB3 H 1 2.96 0.01 . 2 . . . A 309 PHE HB3 . 19059 1 20 . 1 1 2 2 PHE CA C 13 55.41 0.01 . 1 . . . A 309 PHE CA . 19059 1 21 . 1 1 2 2 PHE CB C 13 39.17 0.01 . 1 . . . A 309 PHE CB . 19059 1 22 . 1 1 2 2 PHE N N 15 121.84 0.01 . 1 . . . A 309 PHE N . 19059 1 23 . 1 1 3 3 PRO HA H 1 4.46 0.01 . 1 . . . A 310 PRO HA . 19059 1 24 . 1 1 3 3 PRO HB2 H 1 2.29 0.01 . 2 . . . A 310 PRO HB2 . 19059 1 25 . 1 1 3 3 PRO HB3 H 1 1.92 0.01 . 2 . . . A 310 PRO HB3 . 19059 1 26 . 1 1 3 3 PRO HG2 H 1 2.00 0.01 . 1 . . . A 310 PRO HG2 . 19059 1 27 . 1 1 3 3 PRO HG3 H 1 2.00 0.01 . 1 . . . A 310 PRO HG3 . 19059 1 28 . 1 1 3 3 PRO HD2 H 1 3.84 0.01 . 2 . . . A 310 PRO HD2 . 19059 1 29 . 1 1 3 3 PRO HD3 H 1 3.54 0.01 . 2 . . . A 310 PRO HD3 . 19059 1 30 . 1 1 3 3 PRO C C 13 176.64 0.01 . 1 . . . A 310 PRO C . 19059 1 31 . 1 1 3 3 PRO CA C 13 63.29 0.01 . 1 . . . A 310 PRO CA . 19059 1 32 . 1 1 3 3 PRO CB C 13 32.13 0.01 . 1 . . . A 310 PRO CB . 19059 1 33 . 1 1 3 3 PRO CG C 13 27.43 0.01 . 1 . . . A 310 PRO CG . 19059 1 34 . 1 1 3 3 PRO CD C 13 50.80 0.01 . 1 . . . A 310 PRO CD . 19059 1 35 . 1 1 4 4 ARG H H 1 8.30 0.01 . 1 . . . A 311 ARG H . 19059 1 36 . 1 1 4 4 ARG HA H 1 4.29 0.01 . 1 . . . A 311 ARG HA . 19059 1 37 . 1 1 4 4 ARG HB2 H 1 1.84 0.01 . 2 . . . A 311 ARG HB2 . 19059 1 38 . 1 1 4 4 ARG HB3 H 1 1.79 0.01 . 2 . . . A 311 ARG HB3 . 19059 1 39 . 1 1 4 4 ARG HG2 H 1 1.67 0.01 . 1 . . . A 311 ARG HG2 . 19059 1 40 . 1 1 4 4 ARG HG3 H 1 1.67 0.01 . 1 . . . A 311 ARG HG3 . 19059 1 41 . 1 1 4 4 ARG HD2 H 1 3.21 0.01 . 1 . . . A 311 ARG HD2 . 19059 1 42 . 1 1 4 4 ARG HD3 H 1 3.21 0.01 . 1 . . . A 311 ARG HD3 . 19059 1 43 . 1 1 4 4 ARG C C 13 175.96 0.01 . 1 . . . A 311 ARG C . 19059 1 44 . 1 1 4 4 ARG CA C 13 56.29 0.01 . 1 . . . A 311 ARG CA . 19059 1 45 . 1 1 4 4 ARG CB C 13 30.86 0.01 . 1 . . . A 311 ARG CB . 19059 1 46 . 1 1 4 4 ARG CG C 13 26.97 0.01 . 1 . . . A 311 ARG CG . 19059 1 47 . 1 1 4 4 ARG CD C 13 43.31 0.01 . 1 . . . A 311 ARG CD . 19059 1 48 . 1 1 4 4 ARG N N 15 121.38 0.01 . 1 . . . A 311 ARG N . 19059 1 49 . 1 1 5 5 ALA H H 1 8.34 0.01 . 1 . . . A 312 ALA H . 19059 1 50 . 1 1 5 5 ALA HA H 1 4.32 0.01 . 1 . . . A 312 ALA HA . 19059 1 51 . 1 1 5 5 ALA HB1 H 1 1.36 0.01 . 1 . . . A 312 ALA HB1 . 19059 1 52 . 1 1 5 5 ALA HB2 H 1 1.36 0.01 . 1 . . . A 312 ALA HB2 . 19059 1 53 . 1 1 5 5 ALA HB3 H 1 1.36 0.01 . 1 . . . A 312 ALA HB3 . 19059 1 54 . 1 1 5 5 ALA C C 13 177.25 0.01 . 1 . . . A 312 ALA C . 19059 1 55 . 1 1 5 5 ALA CA C 13 52.29 0.01 . 1 . . . A 312 ALA CA . 19059 1 56 . 1 1 5 5 ALA CB C 13 19.12 0.01 . 1 . . . A 312 ALA CB . 19059 1 57 . 1 1 5 5 ALA N N 15 125.05 0.01 . 1 . . . A 312 ALA N . 19059 1 58 . 1 1 6 6 MET H H 1 8.22 0.01 . 1 . . . A 313 MET H . 19059 1 59 . 1 1 6 6 MET HA H 1 4.66 0.01 . 1 . . . A 313 MET HA . 19059 1 60 . 1 1 6 6 MET HB2 H 1 1.93 0.01 . 2 . . . A 313 MET HB2 . 19059 1 61 . 1 1 6 6 MET HB3 H 1 1.87 0.01 . 2 . . . A 313 MET HB3 . 19059 1 62 . 1 1 6 6 MET HG2 H 1 2.50 0.01 . 1 . . . A 313 MET HG2 . 19059 1 63 . 1 1 6 6 MET HG3 H 1 2.50 0.01 . 1 . . . A 313 MET HG3 . 19059 1 64 . 1 1 6 6 MET HE1 H 1 2.04 0.01 . 1 . . . A 313 MET HE1 . 19059 1 65 . 1 1 6 6 MET HE2 H 1 2.04 0.01 . 1 . . . A 313 MET HE2 . 19059 1 66 . 1 1 6 6 MET HE3 H 1 2.04 0.01 . 1 . . . A 313 MET HE3 . 19059 1 67 . 1 1 6 6 MET CA C 13 53.15 0.01 . 1 . . . A 313 MET CA . 19059 1 68 . 1 1 6 6 MET CB C 13 32.67 0.01 . 1 . . . A 313 MET CB . 19059 1 69 . 1 1 6 6 MET CG C 13 31.73 0.01 . 1 . . . A 313 MET CG . 19059 1 70 . 1 1 6 6 MET CE C 13 16.98 0.01 . 1 . . . A 313 MET CE . 19059 1 71 . 1 1 6 6 MET N N 15 121.32 0.01 . 1 . . . A 313 MET N . 19059 1 72 . 1 1 7 7 PRO HA H 1 4.27 0.01 . 1 . . . A 314 PRO HA . 19059 1 73 . 1 1 7 7 PRO HB2 H 1 1.89 0.01 . 2 . . . A 314 PRO HB2 . 19059 1 74 . 1 1 7 7 PRO HB3 H 1 1.00 0.01 . 2 . . . A 314 PRO HB3 . 19059 1 75 . 1 1 7 7 PRO HG2 H 1 1.81 0.01 . 1 . . . A 314 PRO HG2 . 19059 1 76 . 1 1 7 7 PRO HG3 H 1 1.81 0.01 . 1 . . . A 314 PRO HG3 . 19059 1 77 . 1 1 7 7 PRO HD2 H 1 3.72 0.01 . 2 . . . A 314 PRO HD2 . 19059 1 78 . 1 1 7 7 PRO HD3 H 1 3.38 0.01 . 2 . . . A 314 PRO HD3 . 19059 1 79 . 1 1 7 7 PRO C C 13 177.16 0.01 . 1 . . . A 314 PRO C . 19059 1 80 . 1 1 7 7 PRO CA C 13 62.86 0.01 . 1 . . . A 314 PRO CA . 19059 1 81 . 1 1 7 7 PRO CB C 13 31.71 0.01 . 1 . . . A 314 PRO CB . 19059 1 82 . 1 1 7 7 PRO CG C 13 27.41 0.01 . 1 . . . A 314 PRO CG . 19059 1 83 . 1 1 7 7 PRO CD C 13 50.54 0.01 . 1 . . . A 314 PRO CD . 19059 1 84 . 1 1 8 8 ILE H H 1 8.20 0.01 . 1 . . . A 315 ILE H . 19059 1 85 . 1 1 8 8 ILE HA H 1 3.89 0.01 . 1 . . . A 315 ILE HA . 19059 1 86 . 1 1 8 8 ILE HB H 1 1.79 0.01 . 1 . . . A 315 ILE HB . 19059 1 87 . 1 1 8 8 ILE HG12 H 1 1.41 0.01 . 2 . . . A 315 ILE HG12 . 19059 1 88 . 1 1 8 8 ILE HG13 H 1 1.15 0.01 . 2 . . . A 315 ILE HG13 . 19059 1 89 . 1 1 8 8 ILE HG21 H 1 0.86 0.01 . 1 . . . A 315 ILE HG21 . 19059 1 90 . 1 1 8 8 ILE HG22 H 1 0.86 0.01 . 1 . . . A 315 ILE HG22 . 19059 1 91 . 1 1 8 8 ILE HG23 H 1 0.86 0.01 . 1 . . . A 315 ILE HG23 . 19059 1 92 . 1 1 8 8 ILE HD11 H 1 0.86 0.01 . 1 . . . A 315 ILE HD11 . 19059 1 93 . 1 1 8 8 ILE HD12 H 1 0.86 0.01 . 1 . . . A 315 ILE HD12 . 19059 1 94 . 1 1 8 8 ILE HD13 H 1 0.86 0.01 . 1 . . . A 315 ILE HD13 . 19059 1 95 . 1 1 8 8 ILE C C 13 176.02 0.01 . 1 . . . A 315 ILE C . 19059 1 96 . 1 1 8 8 ILE CA C 13 62.46 0.01 . 1 . . . A 315 ILE CA . 19059 1 97 . 1 1 8 8 ILE CB C 13 38.47 0.01 . 1 . . . A 315 ILE CB . 19059 1 98 . 1 1 8 8 ILE CG1 C 13 27.49 0.01 . 1 . . . A 315 ILE CG1 . 19059 1 99 . 1 1 8 8 ILE CG2 C 13 17.39 0.01 . 1 . . . A 315 ILE CG2 . 19059 1 100 . 1 1 8 8 ILE CD1 C 13 13.20 0.01 . 1 . . . A 315 ILE CD1 . 19059 1 101 . 1 1 8 8 ILE N N 15 120.31 0.01 . 1 . . . A 315 ILE N . 19059 1 102 . 1 1 9 9 TRP H H 1 7.33 0.01 . 1 . . . A 316 TRP H . 19059 1 103 . 1 1 9 9 TRP HA H 1 4.43 0.01 . 1 . . . A 316 TRP HA . 19059 1 104 . 1 1 9 9 TRP HB2 H 1 3.28 0.01 . 2 . . . A 316 TRP HB2 . 19059 1 105 . 1 1 9 9 TRP HB3 H 1 3.15 0.01 . 2 . . . A 316 TRP HB3 . 19059 1 106 . 1 1 9 9 TRP HD1 H 1 7.23 0.01 . 1 . . . A 316 TRP HD1 . 19059 1 107 . 1 1 9 9 TRP HE1 H 1 10.27 0.01 . 1 . . . A 316 TRP HE1 . 19059 1 108 . 1 1 9 9 TRP HE3 H 1 7.52 0.01 . 1 . . . A 316 TRP HE3 . 19059 1 109 . 1 1 9 9 TRP HZ2 H 1 7.49 0.01 . 1 . . . A 316 TRP HZ2 . 19059 1 110 . 1 1 9 9 TRP HZ3 H 1 7.13 0.01 . 1 . . . A 316 TRP HZ3 . 19059 1 111 . 1 1 9 9 TRP HH2 H 1 7.23 0.01 . 1 . . . A 316 TRP HH2 . 19059 1 112 . 1 1 9 9 TRP C C 13 175.73 0.01 . 1 . . . A 316 TRP C . 19059 1 113 . 1 1 9 9 TRP CA C 13 56.48 0.01 . 1 . . . A 316 TRP CA . 19059 1 114 . 1 1 9 9 TRP CB C 13 29.00 0.01 . 1 . . . A 316 TRP CB . 19059 1 115 . 1 1 9 9 TRP N N 15 120.42 0.01 . 1 . . . A 316 TRP N . 19059 1 116 . 1 1 10 10 ALA H H 1 7.63 0.01 . 1 . . . A 317 ALA H . 19059 1 117 . 1 1 10 10 ALA HA H 1 4.32 0.01 . 1 . . . A 317 ALA HA . 19059 1 118 . 1 1 10 10 ALA HB1 H 1 1.13 0.01 . 1 . . . A 317 ALA HB1 . 19059 1 119 . 1 1 10 10 ALA HB2 H 1 1.13 0.01 . 1 . . . A 317 ALA HB2 . 19059 1 120 . 1 1 10 10 ALA HB3 H 1 1.13 0.01 . 1 . . . A 317 ALA HB3 . 19059 1 121 . 1 1 10 10 ALA C C 13 176.73 0.01 . 1 . . . A 317 ALA C . 19059 1 122 . 1 1 10 10 ALA CA C 13 52.03 0.01 . 1 . . . A 317 ALA CA . 19059 1 123 . 1 1 10 10 ALA CB C 13 19.36 0.01 . 1 . . . A 317 ALA CB . 19059 1 124 . 1 1 10 10 ALA N N 15 125.11 0.01 . 1 . . . A 317 ALA N . 19059 1 125 . 1 1 11 11 ARG H H 1 7.84 0.01 . 1 . . . A 318 ARG H . 19059 1 126 . 1 1 11 11 ARG HA H 1 4.47 0.01 . 1 . . . A 318 ARG HA . 19059 1 127 . 1 1 11 11 ARG HB2 H 1 1.87 0.01 . 2 . . . A 318 ARG HB2 . 19059 1 128 . 1 1 11 11 ARG HB3 H 1 1.72 0.01 . 2 . . . A 318 ARG HB3 . 19059 1 129 . 1 1 11 11 ARG HG2 H 1 1.67 0.01 . 2 . . . A 318 ARG HG2 . 19059 1 130 . 1 1 11 11 ARG HG3 H 1 1.58 0.01 . 2 . . . A 318 ARG HG3 . 19059 1 131 . 1 1 11 11 ARG HD2 H 1 3.15 0.01 . 1 . . . A 318 ARG HD2 . 19059 1 132 . 1 1 11 11 ARG HD3 H 1 3.15 0.01 . 1 . . . A 318 ARG HD3 . 19059 1 133 . 1 1 11 11 ARG HE H 1 7.33 0.01 . 1 . . . A 318 ARG HE . 19059 1 134 . 1 1 11 11 ARG CA C 13 54.12 0.01 . 1 . . . A 318 ARG CA . 19059 1 135 . 1 1 11 11 ARG CB C 13 30.37 0.01 . 1 . . . A 318 ARG CB . 19059 1 136 . 1 1 11 11 ARG CG C 13 26.63 0.01 . 1 . . . A 318 ARG CG . 19059 1 137 . 1 1 11 11 ARG CD C 13 43.39 0.01 . 1 . . . A 318 ARG CD . 19059 1 138 . 1 1 11 11 ARG N N 15 120.77 0.01 . 1 . . . A 318 ARG N . 19059 1 139 . 1 1 12 12 PRO HA H 1 4.39 0.01 . 1 . . . A 319 PRO HA . 19059 1 140 . 1 1 12 12 PRO HB2 H 1 2.26 0.01 . 2 . . . A 319 PRO HB2 . 19059 1 141 . 1 1 12 12 PRO HB3 H 1 1.87 0.01 . 2 . . . A 319 PRO HB3 . 19059 1 142 . 1 1 12 12 PRO HG2 H 1 2.02 0.01 . 1 . . . A 319 PRO HG2 . 19059 1 143 . 1 1 12 12 PRO HG3 H 1 2.02 0.01 . 1 . . . A 319 PRO HG3 . 19059 1 144 . 1 1 12 12 PRO HD2 H 1 3.77 0.01 . 2 . . . A 319 PRO HD2 . 19059 1 145 . 1 1 12 12 PRO HD3 H 1 3.64 0.01 . 2 . . . A 319 PRO HD3 . 19059 1 146 . 1 1 12 12 PRO C C 13 176.49 0.01 . 1 . . . A 319 PRO C . 19059 1 147 . 1 1 12 12 PRO CA C 13 63.89 0.01 . 1 . . . A 319 PRO CA . 19059 1 148 . 1 1 12 12 PRO CB C 13 31.88 0.01 . 1 . . . A 319 PRO CB . 19059 1 149 . 1 1 12 12 PRO CG C 13 27.28 0.01 . 1 . . . A 319 PRO CG . 19059 1 150 . 1 1 12 12 PRO CD C 13 50.42 0.01 . 1 . . . A 319 PRO CD . 19059 1 151 . 1 1 13 13 ASP H H 1 8.32 0.01 . 1 . . . A 320 ASP H . 19059 1 152 . 1 1 13 13 ASP HA H 1 4.53 0.01 . 1 . . . A 320 ASP HA . 19059 1 153 . 1 1 13 13 ASP HB2 H 1 2.66 0.01 . 1 . . . A 320 ASP HB2 . 19059 1 154 . 1 1 13 13 ASP HB3 H 1 2.66 0.01 . 1 . . . A 320 ASP HB3 . 19059 1 155 . 1 1 13 13 ASP C C 13 175.56 0.01 . 1 . . . A 320 ASP C . 19059 1 156 . 1 1 13 13 ASP CA C 13 54.06 0.01 . 1 . . . A 320 ASP CA . 19059 1 157 . 1 1 13 13 ASP CB C 13 40.49 0.01 . 1 . . . A 320 ASP CB . 19059 1 158 . 1 1 13 13 ASP N N 15 117.94 0.01 . 1 . . . A 320 ASP N . 19059 1 159 . 1 1 14 14 TYR H H 1 7.84 0.01 . 1 . . . A 321 TYR H . 19059 1 160 . 1 1 14 14 TYR HA H 1 4.53 0.01 . 1 . . . A 321 TYR HA . 19059 1 161 . 1 1 14 14 TYR HB2 H 1 3.03 0.01 . 2 . . . A 321 TYR HB2 . 19059 1 162 . 1 1 14 14 TYR HB3 H 1 2.96 0.01 . 2 . . . A 321 TYR HB3 . 19059 1 163 . 1 1 14 14 TYR HD1 H 1 7.10 0.01 . 1 . . . A 321 TYR HD1 . 19059 1 164 . 1 1 14 14 TYR HD2 H 1 7.10 0.01 . 1 . . . A 321 TYR HD2 . 19059 1 165 . 1 1 14 14 TYR HE1 H 1 6.80 0.01 . 1 . . . A 321 TYR HE1 . 19059 1 166 . 1 1 14 14 TYR HE2 H 1 6.80 0.01 . 1 . . . A 321 TYR HE2 . 19059 1 167 . 1 1 14 14 TYR C C 13 174.72 0.01 . 1 . . . A 321 TYR C . 19059 1 168 . 1 1 14 14 TYR CA C 13 58.08 0.01 . 1 . . . A 321 TYR CA . 19059 1 169 . 1 1 14 14 TYR CB C 13 39.14 0.01 . 1 . . . A 321 TYR CB . 19059 1 170 . 1 1 14 14 TYR N N 15 120.58 0.01 . 1 . . . A 321 TYR N . 19059 1 171 . 1 1 15 15 ASN H H 1 8.18 0.01 . 1 . . . A 322 ASN H . 19059 1 172 . 1 1 15 15 ASN HA H 1 4.93 0.01 . 1 . . . A 322 ASN HA . 19059 1 173 . 1 1 15 15 ASN HB2 H 1 2.66 0.01 . 2 . . . A 322 ASN HB2 . 19059 1 174 . 1 1 15 15 ASN HB3 H 1 2.51 0.01 . 2 . . . A 322 ASN HB3 . 19059 1 175 . 1 1 15 15 ASN HD21 H 1 7.51 0.01 . 2 . . . A 322 ASN HD21 . 19059 1 176 . 1 1 15 15 ASN HD22 H 1 6.85 0.01 . 2 . . . A 322 ASN HD22 . 19059 1 177 . 1 1 15 15 ASN CA C 13 50.81 0.01 . 1 . . . A 322 ASN CA . 19059 1 178 . 1 1 15 15 ASN CB C 13 39.15 0.01 . 1 . . . A 322 ASN CB . 19059 1 179 . 1 1 15 15 ASN N N 15 123.95 0.01 . 1 . . . A 322 ASN N . 19059 1 180 . 1 1 16 16 PRO HA H 1 4.49 0.01 . 1 . . . A 323 PRO HA . 19059 1 181 . 1 1 16 16 PRO HB2 H 1 2.26 0.01 . 2 . . . A 323 PRO HB2 . 19059 1 182 . 1 1 16 16 PRO HB3 H 1 1.93 0.01 . 2 . . . A 323 PRO HB3 . 19059 1 183 . 1 1 16 16 PRO HG2 H 1 1.93 0.01 . 1 . . . A 323 PRO HG2 . 19059 1 184 . 1 1 16 16 PRO HG3 H 1 1.93 0.01 . 1 . . . A 323 PRO HG3 . 19059 1 185 . 1 1 16 16 PRO HD2 H 1 3.58 0.01 . 2 . . . A 323 PRO HD2 . 19059 1 186 . 1 1 16 16 PRO HD3 H 1 3.38 0.01 . 2 . . . A 323 PRO HD3 . 19059 1 187 . 1 1 16 16 PRO CA C 13 61.44 0.01 . 1 . . . A 323 PRO CA . 19059 1 188 . 1 1 16 16 PRO CB C 13 30.93 0.01 . 1 . . . A 323 PRO CB . 19059 1 189 . 1 1 16 16 PRO CG C 13 27.20 0.01 . 1 . . . A 323 PRO CG . 19059 1 190 . 1 1 16 16 PRO CD C 13 50.44 0.01 . 1 . . . A 323 PRO CD . 19059 1 191 . 1 1 17 17 PRO HA H 1 4.40 0.01 . 1 . . . A 324 PRO HA . 19059 1 192 . 1 1 17 17 PRO HB2 H 1 2.26 0.01 . 2 . . . A 324 PRO HB2 . 19059 1 193 . 1 1 17 17 PRO HB3 H 1 1.88 0.01 . 2 . . . A 324 PRO HB3 . 19059 1 194 . 1 1 17 17 PRO HG2 H 1 2.03 0.01 . 1 . . . A 324 PRO HG2 . 19059 1 195 . 1 1 17 17 PRO HG3 H 1 2.03 0.01 . 1 . . . A 324 PRO HG3 . 19059 1 196 . 1 1 17 17 PRO HD2 H 1 3.77 0.01 . 2 . . . A 324 PRO HD2 . 19059 1 197 . 1 1 17 17 PRO HD3 H 1 3.64 0.01 . 2 . . . A 324 PRO HD3 . 19059 1 198 . 1 1 17 17 PRO C C 13 176.55 0.01 . 1 . . . A 324 PRO C . 19059 1 199 . 1 1 17 17 PRO CA C 13 62.95 0.01 . 1 . . . A 324 PRO CA . 19059 1 200 . 1 1 17 17 PRO CB C 13 31.99 0.01 . 1 . . . A 324 PRO CB . 19059 1 201 . 1 1 17 17 PRO CG C 13 27.38 0.01 . 1 . . . A 324 PRO CG . 19059 1 202 . 1 1 17 17 PRO CD C 13 50.53 0.01 . 1 . . . A 324 PRO CD . 19059 1 203 . 1 1 18 18 LEU H H 1 8.25 0.01 . 1 . . . A 325 LEU H . 19059 1 204 . 1 1 18 18 LEU HA H 1 4.35 0.01 . 1 . . . A 325 LEU HA . 19059 1 205 . 1 1 18 18 LEU HB2 H 1 1.61 0.01 . 1 . . . A 325 LEU HB2 . 19059 1 206 . 1 1 18 18 LEU HB3 H 1 1.61 0.01 . 1 . . . A 325 LEU HB3 . 19059 1 207 . 1 1 18 18 LEU HD11 H 1 0.93 0.01 . 2 . . . A 325 LEU HD11 . 19059 1 208 . 1 1 18 18 LEU HD12 H 1 0.93 0.01 . 2 . . . A 325 LEU HD12 . 19059 1 209 . 1 1 18 18 LEU HD13 H 1 0.93 0.01 . 2 . . . A 325 LEU HD13 . 19059 1 210 . 1 1 18 18 LEU HD21 H 1 0.88 0.01 . 2 . . . A 325 LEU HD21 . 19059 1 211 . 1 1 18 18 LEU HD22 H 1 0.88 0.01 . 2 . . . A 325 LEU HD22 . 19059 1 212 . 1 1 18 18 LEU HD23 H 1 0.88 0.01 . 2 . . . A 325 LEU HD23 . 19059 1 213 . 1 1 18 18 LEU C C 13 177.03 0.01 . 1 . . . A 325 LEU C . 19059 1 214 . 1 1 18 18 LEU CA C 13 55.11 0.01 . 1 . . . A 325 LEU CA . 19059 1 215 . 1 1 18 18 LEU CB C 13 42.38 0.01 . 1 . . . A 325 LEU CB . 19059 1 216 . 1 1 18 18 LEU CD1 C 13 24.88 0.01 . 2 . . . A 325 LEU CD1 . 19059 1 217 . 1 1 18 18 LEU CD2 C 13 23.71 0.01 . 2 . . . A 325 LEU CD2 . 19059 1 218 . 1 1 18 18 LEU N N 15 122.42 0.01 . 1 . . . A 325 LEU N . 19059 1 219 . 1 1 19 19 LEU H H 1 8.27 0.01 . 1 . . . A 326 LEU H . 19059 1 220 . 1 1 19 19 LEU HA H 1 4.42 0.01 . 1 . . . A 326 LEU HA . 19059 1 221 . 1 1 19 19 LEU HB2 H 1 1.63 0.01 . 1 . . . A 326 LEU HB2 . 19059 1 222 . 1 1 19 19 LEU HB3 H 1 1.63 0.01 . 1 . . . A 326 LEU HB3 . 19059 1 223 . 1 1 19 19 LEU HD11 H 1 0.93 0.01 . 2 . . . A 326 LEU HD11 . 19059 1 224 . 1 1 19 19 LEU HD12 H 1 0.93 0.01 . 2 . . . A 326 LEU HD12 . 19059 1 225 . 1 1 19 19 LEU HD13 H 1 0.93 0.01 . 2 . . . A 326 LEU HD13 . 19059 1 226 . 1 1 19 19 LEU HD21 H 1 0.87 0.01 . 2 . . . A 326 LEU HD21 . 19059 1 227 . 1 1 19 19 LEU HD22 H 1 0.87 0.01 . 2 . . . A 326 LEU HD22 . 19059 1 228 . 1 1 19 19 LEU HD23 H 1 0.87 0.01 . 2 . . . A 326 LEU HD23 . 19059 1 229 . 1 1 19 19 LEU C C 13 176.14 0.01 . 1 . . . A 326 LEU C . 19059 1 230 . 1 1 19 19 LEU CA C 13 55.12 0.01 . 1 . . . A 326 LEU CA . 19059 1 231 . 1 1 19 19 LEU CB C 13 42.38 0.01 . 1 . . . A 326 LEU CB . 19059 1 232 . 1 1 19 19 LEU CD1 C 13 24.90 0.01 . 2 . . . A 326 LEU CD1 . 19059 1 233 . 1 1 19 19 LEU CD2 C 13 23.43 0.01 . 2 . . . A 326 LEU CD2 . 19059 1 234 . 1 1 19 19 LEU N N 15 124.27 0.01 . 1 . . . A 326 LEU N . 19059 1 235 . 1 1 20 20 GLU H H 1 7.86 0.01 . 1 . . . A 327 GLU H . 19059 1 236 . 1 1 20 20 GLU HA H 1 4.14 0.01 . 1 . . . A 327 GLU HA . 19059 1 237 . 1 1 20 20 GLU HB2 H 1 2.04 0.01 . 2 . . . A 327 GLU HB2 . 19059 1 238 . 1 1 20 20 GLU HB3 H 1 1.89 0.01 . 2 . . . A 327 GLU HB3 . 19059 1 239 . 1 1 20 20 GLU HG2 H 1 2.18 0.01 . 1 . . . A 327 GLU HG2 . 19059 1 240 . 1 1 20 20 GLU HG3 H 1 2.18 0.01 . 1 . . . A 327 GLU HG3 . 19059 1 241 . 1 1 20 20 GLU CA C 13 57.98 0.01 . 1 . . . A 327 GLU CA . 19059 1 242 . 1 1 20 20 GLU CB C 13 31.42 0.01 . 1 . . . A 327 GLU CB . 19059 1 243 . 1 1 20 20 GLU CG C 13 36.57 0.01 . 1 . . . A 327 GLU CG . 19059 1 244 . 1 1 20 20 GLU N N 15 126.66 0.01 . 1 . . . A 327 GLU N . 19059 1 stop_ save_