################################### # 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 36172 _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' 1 $sample_1 isotropic 36172 1 2 '2D 1H-13C HSQC aliphatic' 1 $sample_1 isotropic 36172 1 3 '2D 1H-13C HSQC aromatic' 1 $sample_1 isotropic 36172 1 4 '3D HNCA' 1 $sample_1 isotropic 36172 1 5 '3D HN(CO)CA' 1 $sample_1 isotropic 36172 1 6 '3D HCCH-TOCSY' 1 $sample_1 isotropic 36172 1 7 '2D TOCSY' 1 $sample_1 isotropic 36172 1 8 '3D NOESY' 1 $sample_1 isotropic 36172 1 9 '2D 1H-13C filtered NOESY' 1 $sample_1 isotropic 36172 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 1 1 THR HA H 1 4.694 0.02 . 1 . . . . A 244 THR HA . 36172 1 2 . 1 . 1 1 1 THR HB H 1 4.344 0.02 . 1 . . . . A 244 THR HB . 36172 1 3 . 1 . 1 1 1 THR HG21 H 1 1.300 0.02 . 1 . . . . A 244 THR HG21 . 36172 1 4 . 1 . 1 1 1 THR HG22 H 1 1.300 0.02 . 1 . . . . A 244 THR HG22 . 36172 1 5 . 1 . 1 1 1 THR HG23 H 1 1.300 0.02 . 1 . . . . A 244 THR HG23 . 36172 1 6 . 1 . 1 1 1 THR CA C 13 61.400 0.2 . 1 . . . . A 244 THR CA . 36172 1 7 . 1 . 1 1 1 THR CB C 13 69.122 0.2 . 1 . . . . A 244 THR CB . 36172 1 8 . 1 . 1 1 1 THR CG2 C 13 21.200 0.2 . 1 . . . . A 244 THR CG2 . 36172 1 9 . 1 . 1 1 1 THR N N 15 116.048 0.1 . 1 . . . . A 244 THR N . 36172 1 10 . 1 . 1 2 2 ARG H H 1 8.492 0.02 . 1 . . . . A 245 ARG H . 36172 1 11 . 1 . 1 2 2 ARG HA H 1 4.470 0.02 . 1 . . . . A 245 ARG HA . 36172 1 12 . 1 . 1 2 2 ARG HB2 H 1 1.990 0.02 . 2 . . . . A 245 ARG HB2 . 36172 1 13 . 1 . 1 2 2 ARG HB3 H 1 1.890 0.02 . 2 . . . . A 245 ARG HB3 . 36172 1 14 . 1 . 1 2 2 ARG HG2 H 1 1.740 0.02 . 2 . . . . A 245 ARG HG2 . 36172 1 15 . 1 . 1 2 2 ARG HG3 H 1 1.740 0.02 . 2 . . . . A 245 ARG HG3 . 36172 1 16 . 1 . 1 2 2 ARG HD2 H 1 3.305 0.02 . 2 . . . . A 245 ARG HD2 . 36172 1 17 . 1 . 1 2 2 ARG HD3 H 1 3.305 0.02 . 2 . . . . A 245 ARG HD3 . 36172 1 18 . 1 . 1 2 2 ARG CA C 13 55.800 0.2 . 1 . . . . A 245 ARG CA . 36172 1 19 . 1 . 1 2 2 ARG CB C 13 30.300 0.2 . 1 . . . . A 245 ARG CB . 36172 1 20 . 1 . 1 2 2 ARG CG C 13 26.619 0.2 . 1 . . . . A 245 ARG CG . 36172 1 21 . 1 . 1 2 2 ARG CD C 13 42.843 0.2 . 1 . . . . A 245 ARG CD . 36172 1 22 . 1 . 1 2 2 ARG N N 15 123.135 0.1 . 1 . . . . A 245 ARG N . 36172 1 23 . 1 . 1 3 3 GLY H H 1 8.536 0.02 . 1 . . . . A 246 GLY H . 36172 1 24 . 1 . 1 3 3 GLY HA2 H 1 4.120 0.02 . 2 . . . . A 246 GLY HA2 . 36172 1 25 . 1 . 1 3 3 GLY HA3 H 1 4.694 0.02 . 2 . . . . A 246 GLY HA3 . 36172 1 26 . 1 . 1 3 3 GLY CA C 13 44.738 0.2 . 1 . . . . A 246 GLY CA . 36172 1 27 . 1 . 1 3 3 GLY N N 15 109.880 0.1 . 1 . . . . A 246 GLY N . 36172 1 28 . 1 . 1 4 4 THR H H 1 8.161 0.02 . 1 . . . . A 247 THR H . 36172 1 29 . 1 . 1 4 4 THR HB H 1 4.370 0.02 . 1 . . . . A 247 THR HB . 36172 1 30 . 1 . 1 4 4 THR HG21 H 1 1.310 0.02 . 1 . . . . A 247 THR HG21 . 36172 1 31 . 1 . 1 4 4 THR HG22 H 1 1.310 0.02 . 1 . . . . A 247 THR HG22 . 36172 1 32 . 1 . 1 4 4 THR HG23 H 1 1.310 0.02 . 1 . . . . A 247 THR HG23 . 36172 1 33 . 1 . 1 4 4 THR CA C 13 61.500 0.2 . 1 . . . . A 247 THR CA . 36172 1 34 . 1 . 1 4 4 THR CB C 13 69.200 0.2 . 1 . . . . A 247 THR CB . 36172 1 35 . 1 . 1 4 4 THR CG2 C 13 21.267 0.2 . 1 . . . . A 247 THR CG2 . 36172 1 36 . 1 . 1 4 4 THR N N 15 113.284 0.1 . 1 . . . . A 247 THR N . 36172 1 37 . 1 . 1 5 5 THR H H 1 8.282 0.02 . 1 . . . . A 248 THR H . 36172 1 38 . 1 . 1 5 5 THR HA H 1 4.430 0.02 . 1 . . . . A 248 THR HA . 36172 1 39 . 1 . 1 5 5 THR HB H 1 4.400 0.02 . 1 . . . . A 248 THR HB . 36172 1 40 . 1 . 1 5 5 THR HG21 H 1 1.300 0.02 . 1 . . . . A 248 THR HG21 . 36172 1 41 . 1 . 1 5 5 THR HG22 H 1 1.300 0.02 . 1 . . . . A 248 THR HG22 . 36172 1 42 . 1 . 1 5 5 THR HG23 H 1 1.300 0.02 . 1 . . . . A 248 THR HG23 . 36172 1 43 . 1 . 1 5 5 THR CA C 13 61.646 0.2 . 1 . . . . A 248 THR CA . 36172 1 44 . 1 . 1 5 5 THR CB C 13 68.875 0.2 . 1 . . . . A 248 THR CB . 36172 1 45 . 1 . 1 5 5 THR CG2 C 13 21.300 0.2 . 1 . . . . A 248 THR CG2 . 36172 1 46 . 1 . 1 5 5 THR N N 15 114.877 0.1 . 1 . . . . A 248 THR N . 36172 1 47 . 1 . 1 6 6 ASP H H 1 8.323 0.02 . 1 . . . . A 249 ASP H . 36172 1 48 . 1 . 1 6 6 ASP HA H 1 4.648 0.02 . 1 . . . . A 249 ASP HA . 36172 1 49 . 1 . 1 6 6 ASP HB2 H 1 2.728 0.02 . 2 . . . . A 249 ASP HB2 . 36172 1 50 . 1 . 1 6 6 ASP HB3 H 1 2.740 0.02 . 2 . . . . A 249 ASP HB3 . 36172 1 51 . 1 . 1 6 6 ASP CA C 13 54.296 0.2 . 1 . . . . A 249 ASP CA . 36172 1 52 . 1 . 1 6 6 ASP CB C 13 40.700 0.2 . 1 . . . . A 249 ASP CB . 36172 1 53 . 1 . 1 6 6 ASP N N 15 122.050 0.1 . 1 . . . . A 249 ASP N . 36172 1 54 . 1 . 1 7 7 ASN H H 1 8.306 0.02 . 1 . . . . A 250 ASN H . 36172 1 55 . 1 . 1 7 7 ASN HA H 1 4.797 0.02 . 1 . . . . A 250 ASN HA . 36172 1 56 . 1 . 1 7 7 ASN HB2 H 1 2.870 0.02 . 2 . . . . A 250 ASN HB2 . 36172 1 57 . 1 . 1 7 7 ASN HB3 H 1 2.945 0.02 . 2 . . . . A 250 ASN HB3 . 36172 1 58 . 1 . 1 7 7 ASN HD21 H 1 7.715 0.02 . 2 . . . . A 250 ASN HD21 . 36172 1 59 . 1 . 1 7 7 ASN HD22 H 1 6.977 0.02 . 2 . . . . A 250 ASN HD22 . 36172 1 60 . 1 . 1 7 7 ASN CA C 13 52.764 0.2 . 1 . . . . A 250 ASN CA . 36172 1 61 . 1 . 1 7 7 ASN CB C 13 38.475 0.2 . 1 . . . . A 250 ASN CB . 36172 1 62 . 1 . 1 7 7 ASN N N 15 117.954 0.1 . 1 . . . . A 250 ASN N . 36172 1 63 . 1 . 1 7 7 ASN ND2 N 15 112.212 0.1 . 1 . . . . A 250 ASN ND2 . 36172 1 64 . 1 . 1 8 8 LEU H H 1 8.493 0.02 . 1 . . . . A 251 LEU H . 36172 1 65 . 1 . 1 8 8 LEU HA H 1 4.305 0.02 . 1 . . . . A 251 LEU HA . 36172 1 66 . 1 . 1 8 8 LEU HB2 H 1 1.460 0.02 . 2 . . . . A 251 LEU HB2 . 36172 1 67 . 1 . 1 8 8 LEU HB3 H 1 1.740 0.02 . 2 . . . . A 251 LEU HB3 . 36172 1 68 . 1 . 1 8 8 LEU HG H 1 1.700 0.02 . 1 . . . . A 251 LEU HG . 36172 1 69 . 1 . 1 8 8 LEU HD11 H 1 0.916 0.02 . 2 . . . . A 251 LEU HD11 . 36172 1 70 . 1 . 1 8 8 LEU HD12 H 1 0.916 0.02 . 2 . . . . A 251 LEU HD12 . 36172 1 71 . 1 . 1 8 8 LEU HD13 H 1 0.916 0.02 . 2 . . . . A 251 LEU HD13 . 36172 1 72 . 1 . 1 8 8 LEU HD21 H 1 1.027 0.02 . 2 . . . . A 251 LEU HD21 . 36172 1 73 . 1 . 1 8 8 LEU HD22 H 1 1.027 0.02 . 2 . . . . A 251 LEU HD22 . 36172 1 74 . 1 . 1 8 8 LEU HD23 H 1 1.027 0.02 . 2 . . . . A 251 LEU HD23 . 36172 1 75 . 1 . 1 8 8 LEU CA C 13 55.524 0.2 . 1 . . . . A 251 LEU CA . 36172 1 76 . 1 . 1 8 8 LEU CB C 13 42.200 0.2 . 1 . . . . A 251 LEU CB . 36172 1 77 . 1 . 1 8 8 LEU CG C 13 26.600 0.2 . 1 . . . . A 251 LEU CG . 36172 1 78 . 1 . 1 8 8 LEU CD1 C 13 23.100 0.2 . 1 . . . . A 251 LEU CD1 . 36172 1 79 . 1 . 1 8 8 LEU CD2 C 13 24.800 0.2 . 1 . . . . A 251 LEU CD2 . 36172 1 80 . 1 . 1 8 8 LEU N N 15 121.407 0.1 . 1 . . . . A 251 LEU N . 36172 1 81 . 1 . 1 9 9 ILE H H 1 8.242 0.02 . 1 . . . . A 252 ILE H . 36172 1 82 . 1 . 1 9 9 ILE HA H 1 4.160 0.02 . 1 . . . . A 252 ILE HA . 36172 1 83 . 1 . 1 9 9 ILE HB H 1 2.220 0.02 . 1 . . . . A 252 ILE HB . 36172 1 84 . 1 . 1 9 9 ILE HG12 H 1 1.300 0.02 . 1 . . . . A 252 ILE HG12 . 36172 1 85 . 1 . 1 9 9 ILE HG13 H 1 1.781 0.02 . 1 . . . . A 252 ILE HG13 . 36172 1 86 . 1 . 1 9 9 ILE HG21 H 1 1.030 0.02 . 1 . . . . A 252 ILE HG21 . 36172 1 87 . 1 . 1 9 9 ILE HG22 H 1 1.030 0.02 . 1 . . . . A 252 ILE HG22 . 36172 1 88 . 1 . 1 9 9 ILE HG23 H 1 1.030 0.02 . 1 . . . . A 252 ILE HG23 . 36172 1 89 . 1 . 1 9 9 ILE HD11 H 1 1.021 0.02 . 1 . . . . A 252 ILE HD11 . 36172 1 90 . 1 . 1 9 9 ILE HD12 H 1 1.021 0.02 . 1 . . . . A 252 ILE HD12 . 36172 1 91 . 1 . 1 9 9 ILE HD13 H 1 1.021 0.02 . 1 . . . . A 252 ILE HD13 . 36172 1 92 . 1 . 1 9 9 ILE CA C 13 62.500 0.2 . 1 . . . . A 252 ILE CA . 36172 1 93 . 1 . 1 9 9 ILE CB C 13 35.500 0.2 . 1 . . . . A 252 ILE CB . 36172 1 94 . 1 . 1 9 9 ILE CG2 C 13 17.200 0.2 . 1 . . . . A 252 ILE CG2 . 36172 1 95 . 1 . 1 9 9 ILE CD1 C 13 12.280 0.2 . 1 . . . . A 252 ILE CD1 . 36172 1 96 . 1 . 1 9 9 ILE N N 15 119.330 0.1 . 1 . . . . A 252 ILE N . 36172 1 97 . 1 . 1 10 10 PRO HA H 1 4.350 0.02 . 1 . . . . A 253 PRO HA . 36172 1 98 . 1 . 1 10 10 PRO HB2 H 1 1.850 0.02 . 2 . . . . A 253 PRO HB2 . 36172 1 99 . 1 . 1 10 10 PRO HB3 H 1 2.500 0.02 . 2 . . . . A 253 PRO HB3 . 36172 1 100 . 1 . 1 10 10 PRO HG2 H 1 2.180 0.02 . 2 . . . . A 253 PRO HG2 . 36172 1 101 . 1 . 1 10 10 PRO HG3 H 1 2.110 0.02 . 2 . . . . A 253 PRO HG3 . 36172 1 102 . 1 . 1 10 10 PRO HD2 H 1 3.840 0.02 . 2 . . . . A 253 PRO HD2 . 36172 1 103 . 1 . 1 10 10 PRO HD3 H 1 3.660 0.02 . 2 . . . . A 253 PRO HD3 . 36172 1 104 . 1 . 1 10 10 PRO CA C 13 64.800 0.2 . 1 . . . . A 253 PRO CA . 36172 1 105 . 1 . 1 10 10 PRO CB C 13 31.400 0.2 . 1 . . . . A 253 PRO CB . 36172 1 106 . 1 . 1 10 10 PRO CG C 13 27.700 0.2 . 1 . . . . A 253 PRO CG . 36172 1 107 . 1 . 1 10 10 PRO CD C 13 49.600 0.2 . 1 . . . . A 253 PRO CD . 36172 1 108 . 1 . 1 11 11 VAL HA H 1 3.820 0.02 . 1 . . . . A 254 VAL HA . 36172 1 109 . 1 . 1 11 11 VAL HB H 1 2.243 0.02 . 1 . . . . A 254 VAL HB . 36172 1 110 . 1 . 1 11 11 VAL HG11 H 1 1.121 0.02 . 2 . . . . A 254 VAL HG11 . 36172 1 111 . 1 . 1 11 11 VAL HG12 H 1 1.121 0.02 . 2 . . . . A 254 VAL HG12 . 36172 1 112 . 1 . 1 11 11 VAL HG13 H 1 1.121 0.02 . 2 . . . . A 254 VAL HG13 . 36172 1 113 . 1 . 1 11 11 VAL HG21 H 1 0.930 0.02 . 2 . . . . A 254 VAL HG21 . 36172 1 114 . 1 . 1 11 11 VAL HG22 H 1 0.930 0.02 . 2 . . . . A 254 VAL HG22 . 36172 1 115 . 1 . 1 11 11 VAL HG23 H 1 0.930 0.02 . 2 . . . . A 254 VAL HG23 . 36172 1 116 . 1 . 1 11 11 VAL CA C 13 65.700 0.2 . 1 . . . . A 254 VAL CA . 36172 1 117 . 1 . 1 11 11 VAL CB C 13 30.900 0.2 . 1 . . . . A 254 VAL CB . 36172 1 118 . 1 . 1 11 11 VAL CG1 C 13 22.089 0.2 . 1 . . . . A 254 VAL CG1 . 36172 1 119 . 1 . 1 11 11 VAL CG2 C 13 20.420 0.2 . 1 . . . . A 254 VAL CG2 . 36172 1 120 . 1 . 1 12 12 TYR H H 1 8.340 0.02 . 1 . . . . A 255 TYR H . 36172 1 121 . 1 . 1 12 12 TYR HA H 1 4.400 0.02 . 1 . . . . A 255 TYR HA . 36172 1 122 . 1 . 1 12 12 TYR HB2 H 1 3.170 0.02 . 2 . . . . A 255 TYR HB2 . 36172 1 123 . 1 . 1 12 12 TYR HB3 H 1 3.140 0.02 . 2 . . . . A 255 TYR HB3 . 36172 1 124 . 1 . 1 12 12 TYR HD1 H 1 7.040 0.02 . 3 . . . . A 255 TYR HD1 . 36172 1 125 . 1 . 1 12 12 TYR HE1 H 1 6.836 0.02 . 3 . . . . A 255 TYR HE1 . 36172 1 126 . 1 . 1 12 12 TYR CA C 13 56.900 0.2 . 1 . . . . A 255 TYR CA . 36172 1 127 . 1 . 1 12 12 TYR CB C 13 36.800 0.2 . 1 . . . . A 255 TYR CB . 36172 1 128 . 1 . 1 12 12 TYR CD1 C 13 131.130 0.2 . 3 . . . . A 255 TYR CD1 . 36172 1 129 . 1 . 1 12 12 TYR CE1 C 13 117.690 0.2 . 3 . . . . A 255 TYR CE1 . 36172 1 130 . 1 . 1 12 12 TYR N N 15 117.800 0.1 . 1 . . . . A 255 TYR N . 36172 1 131 . 1 . 1 13 13 CYS HA H 1 4.340 0.02 . 1 . . . . A 256 CYS HA . 36172 1 132 . 1 . 1 13 13 CYS HB2 H 1 3.270 0.02 . 2 . . . . A 256 CYS HB2 . 36172 1 133 . 1 . 1 13 13 CYS HB3 H 1 3.310 0.02 . 2 . . . . A 256 CYS HB3 . 36172 1 134 . 1 . 1 13 13 CYS CA C 13 58.750 0.2 . 1 . . . . A 256 CYS CA . 36172 1 135 . 1 . 1 13 13 CYS CB C 13 41.200 0.2 . 1 . . . . A 256 CYS CB . 36172 1 136 . 1 . 1 14 14 SER H H 1 7.901 0.02 . 1 . . . . A 257 SER H . 36172 1 137 . 1 . 1 14 14 SER HA H 1 4.180 0.02 . 1 . . . . A 257 SER HA . 36172 1 138 . 1 . 1 14 14 SER HB2 H 1 3.850 0.02 . 2 . . . . A 257 SER HB2 . 36172 1 139 . 1 . 1 14 14 SER HB3 H 1 3.890 0.02 . 2 . . . . A 257 SER HB3 . 36172 1 140 . 1 . 1 14 14 SER CA C 13 62.300 0.2 . 1 . . . . A 257 SER CA . 36172 1 141 . 1 . 1 14 14 SER CB C 13 62.500 0.2 . 1 . . . . A 257 SER CB . 36172 1 142 . 1 . 1 14 14 SER N N 15 116.740 0.1 . 1 . . . . A 257 SER N . 36172 1 143 . 1 . 1 15 15 ILE H H 1 7.913 0.02 . 1 . . . . A 258 ILE H . 36172 1 144 . 1 . 1 15 15 ILE HA H 1 3.734 0.02 . 1 . . . . A 258 ILE HA . 36172 1 145 . 1 . 1 15 15 ILE HB H 1 2.090 0.02 . 1 . . . . A 258 ILE HB . 36172 1 146 . 1 . 1 15 15 ILE HG12 H 1 1.105 0.02 . 1 . . . . A 258 ILE HG12 . 36172 1 147 . 1 . 1 15 15 ILE HG13 H 1 2.000 0.02 . 1 . . . . A 258 ILE HG13 . 36172 1 148 . 1 . 1 15 15 ILE HG21 H 1 0.969 0.02 . 1 . . . . A 258 ILE HG21 . 36172 1 149 . 1 . 1 15 15 ILE HG22 H 1 0.969 0.02 . 1 . . . . A 258 ILE HG22 . 36172 1 150 . 1 . 1 15 15 ILE HG23 H 1 0.969 0.02 . 1 . . . . A 258 ILE HG23 . 36172 1 151 . 1 . 1 15 15 ILE HD11 H 1 0.936 0.02 . 1 . . . . A 258 ILE HD11 . 36172 1 152 . 1 . 1 15 15 ILE HD12 H 1 0.936 0.02 . 1 . . . . A 258 ILE HD12 . 36172 1 153 . 1 . 1 15 15 ILE HD13 H 1 0.936 0.02 . 1 . . . . A 258 ILE HD13 . 36172 1 154 . 1 . 1 15 15 ILE CA C 13 64.750 0.2 . 1 . . . . A 258 ILE CA . 36172 1 155 . 1 . 1 15 15 ILE CB C 13 37.100 0.2 . 1 . . . . A 258 ILE CB . 36172 1 156 . 1 . 1 15 15 ILE CG1 C 13 28.700 0.2 . 1 . . . . A 258 ILE CG1 . 36172 1 157 . 1 . 1 15 15 ILE CG2 C 13 16.800 0.2 . 1 . . . . A 258 ILE CG2 . 36172 1 158 . 1 . 1 15 15 ILE CD1 C 13 13.150 0.2 . 1 . . . . A 258 ILE CD1 . 36172 1 159 . 1 . 1 15 15 ILE N N 15 120.881 0.1 . 1 . . . . A 258 ILE N . 36172 1 160 . 1 . 1 16 16 LEU H H 1 8.023 0.02 . 1 . . . . A 259 LEU H . 36172 1 161 . 1 . 1 16 16 LEU HA H 1 4.040 0.02 . 1 . . . . A 259 LEU HA . 36172 1 162 . 1 . 1 16 16 LEU HB2 H 1 1.750 0.02 . 2 . . . . A 259 LEU HB2 . 36172 1 163 . 1 . 1 16 16 LEU HB3 H 1 1.990 0.02 . 2 . . . . A 259 LEU HB3 . 36172 1 164 . 1 . 1 16 16 LEU HG H 1 1.940 0.02 . 1 . . . . A 259 LEU HG . 36172 1 165 . 1 . 1 16 16 LEU HD11 H 1 0.974 0.02 . 2 . . . . A 259 LEU HD11 . 36172 1 166 . 1 . 1 16 16 LEU HD12 H 1 0.974 0.02 . 2 . . . . A 259 LEU HD12 . 36172 1 167 . 1 . 1 16 16 LEU HD13 H 1 0.974 0.02 . 2 . . . . A 259 LEU HD13 . 36172 1 168 . 1 . 1 16 16 LEU HD21 H 1 1.001 0.02 . 2 . . . . A 259 LEU HD21 . 36172 1 169 . 1 . 1 16 16 LEU HD22 H 1 1.001 0.02 . 2 . . . . A 259 LEU HD22 . 36172 1 170 . 1 . 1 16 16 LEU HD23 H 1 1.001 0.02 . 2 . . . . A 259 LEU HD23 . 36172 1 171 . 1 . 1 16 16 LEU CA C 13 57.700 0.2 . 1 . . . . A 259 LEU CA . 36172 1 172 . 1 . 1 16 16 LEU CB C 13 41.400 0.2 . 1 . . . . A 259 LEU CB . 36172 1 173 . 1 . 1 16 16 LEU CG C 13 26.400 0.2 . 1 . . . . A 259 LEU CG . 36172 1 174 . 1 . 1 16 16 LEU CD1 C 13 23.800 0.2 . 1 . . . . A 259 LEU CD1 . 36172 1 175 . 1 . 1 16 16 LEU CD2 C 13 24.200 0.2 . 1 . . . . A 259 LEU CD2 . 36172 1 176 . 1 . 1 16 16 LEU N N 15 118.235 0.1 . 1 . . . . A 259 LEU N . 36172 1 177 . 1 . 1 17 17 ALA H H 1 8.230 0.02 . 1 . . . . A 260 ALA H . 36172 1 178 . 1 . 1 17 17 ALA HA H 1 3.970 0.02 . 1 . . . . A 260 ALA HA . 36172 1 179 . 1 . 1 17 17 ALA HB1 H 1 1.550 0.02 . 1 . . . . A 260 ALA HB1 . 36172 1 180 . 1 . 1 17 17 ALA HB2 H 1 1.550 0.02 . 1 . . . . A 260 ALA HB2 . 36172 1 181 . 1 . 1 17 17 ALA HB3 H 1 1.550 0.02 . 1 . . . . A 260 ALA HB3 . 36172 1 182 . 1 . 1 17 17 ALA CA C 13 55.000 0.2 . 1 . . . . A 260 ALA CA . 36172 1 183 . 1 . 1 17 17 ALA CB C 13 17.500 0.2 . 1 . . . . A 260 ALA CB . 36172 1 184 . 1 . 1 17 17 ALA N N 15 118.959 0.1 . 1 . . . . A 260 ALA N . 36172 1 185 . 1 . 1 18 18 ALA H H 1 7.990 0.02 . 1 . . . . A 261 ALA H . 36172 1 186 . 1 . 1 18 18 ALA HA H 1 3.966 0.02 . 1 . . . . A 261 ALA HA . 36172 1 187 . 1 . 1 18 18 ALA HB1 H 1 1.560 0.02 . 1 . . . . A 261 ALA HB1 . 36172 1 188 . 1 . 1 18 18 ALA HB2 H 1 1.560 0.02 . 1 . . . . A 261 ALA HB2 . 36172 1 189 . 1 . 1 18 18 ALA HB3 H 1 1.560 0.02 . 1 . . . . A 261 ALA HB3 . 36172 1 190 . 1 . 1 18 18 ALA CA C 13 54.900 0.2 . 1 . . . . A 261 ALA CA . 36172 1 191 . 1 . 1 18 18 ALA CB C 13 17.500 0.2 . 1 . . . . A 261 ALA CB . 36172 1 192 . 1 . 1 18 18 ALA N N 15 118.787 0.1 . 1 . . . . A 261 ALA N . 36172 1 193 . 1 . 1 19 19 VAL H H 1 8.255 0.02 . 1 . . . . A 262 VAL H . 36172 1 194 . 1 . 1 19 19 VAL HA H 1 3.620 0.02 . 1 . . . . A 262 VAL HA . 36172 1 195 . 1 . 1 19 19 VAL HB H 1 2.390 0.02 . 1 . . . . A 262 VAL HB . 36172 1 196 . 1 . 1 19 19 VAL HG11 H 1 0.945 0.02 . 2 . . . . A 262 VAL HG11 . 36172 1 197 . 1 . 1 19 19 VAL HG12 H 1 0.945 0.02 . 2 . . . . A 262 VAL HG12 . 36172 1 198 . 1 . 1 19 19 VAL HG13 H 1 0.945 0.02 . 2 . . . . A 262 VAL HG13 . 36172 1 199 . 1 . 1 19 19 VAL HG21 H 1 1.104 0.02 . 2 . . . . A 262 VAL HG21 . 36172 1 200 . 1 . 1 19 19 VAL HG22 H 1 1.104 0.02 . 2 . . . . A 262 VAL HG22 . 36172 1 201 . 1 . 1 19 19 VAL HG23 H 1 1.104 0.02 . 2 . . . . A 262 VAL HG23 . 36172 1 202 . 1 . 1 19 19 VAL CA C 13 66.167 0.2 . 1 . . . . A 262 VAL CA . 36172 1 203 . 1 . 1 19 19 VAL CB C 13 30.700 0.2 . 1 . . . . A 262 VAL CB . 36172 1 204 . 1 . 1 19 19 VAL CG1 C 13 20.700 0.2 . 1 . . . . A 262 VAL CG1 . 36172 1 205 . 1 . 1 19 19 VAL CG2 C 13 22.400 0.2 . 1 . . . . A 262 VAL CG2 . 36172 1 206 . 1 . 1 19 19 VAL N N 15 116.238 0.1 . 1 . . . . A 262 VAL N . 36172 1 207 . 1 . 1 20 20 VAL H H 1 8.209 0.02 . 1 . . . . A 263 VAL H . 36172 1 208 . 1 . 1 20 20 VAL HA H 1 3.604 0.02 . 1 . . . . A 263 VAL HA . 36172 1 209 . 1 . 1 20 20 VAL HB H 1 2.270 0.02 . 1 . . . . A 263 VAL HB . 36172 1 210 . 1 . 1 20 20 VAL HG11 H 1 0.940 0.02 . 2 . . . . A 263 VAL HG11 . 36172 1 211 . 1 . 1 20 20 VAL HG12 H 1 0.940 0.02 . 2 . . . . A 263 VAL HG12 . 36172 1 212 . 1 . 1 20 20 VAL HG13 H 1 0.940 0.02 . 2 . . . . A 263 VAL HG13 . 36172 1 213 . 1 . 1 20 20 VAL HG21 H 1 1.100 0.02 . 2 . . . . A 263 VAL HG21 . 36172 1 214 . 1 . 1 20 20 VAL HG22 H 1 1.100 0.02 . 2 . . . . A 263 VAL HG22 . 36172 1 215 . 1 . 1 20 20 VAL HG23 H 1 1.100 0.02 . 2 . . . . A 263 VAL HG23 . 36172 1 216 . 1 . 1 20 20 VAL CA C 13 67.300 0.2 . 1 . . . . A 263 VAL CA . 36172 1 217 . 1 . 1 20 20 VAL CB C 13 30.600 0.2 . 1 . . . . A 263 VAL CB . 36172 1 218 . 1 . 1 20 20 VAL CG1 C 13 20.800 0.2 . 1 . . . . A 263 VAL CG1 . 36172 1 219 . 1 . 1 20 20 VAL CG2 C 13 23.300 0.2 . 1 . . . . A 263 VAL CG2 . 36172 1 220 . 1 . 1 20 20 VAL N N 15 118.426 0.1 . 1 . . . . A 263 VAL N . 36172 1 221 . 1 . 1 21 21 VAL H H 1 8.465 0.02 . 1 . . . . A 264 VAL H . 36172 1 222 . 1 . 1 21 21 VAL HA H 1 3.540 0.02 . 1 . . . . A 264 VAL HA . 36172 1 223 . 1 . 1 21 21 VAL HB H 1 2.240 0.02 . 1 . . . . A 264 VAL HB . 36172 1 224 . 1 . 1 21 21 VAL HG11 H 1 0.950 0.02 . 2 . . . . A 264 VAL HG11 . 36172 1 225 . 1 . 1 21 21 VAL HG12 H 1 0.950 0.02 . 2 . . . . A 264 VAL HG12 . 36172 1 226 . 1 . 1 21 21 VAL HG13 H 1 0.950 0.02 . 2 . . . . A 264 VAL HG13 . 36172 1 227 . 1 . 1 21 21 VAL HG21 H 1 1.100 0.02 . 2 . . . . A 264 VAL HG21 . 36172 1 228 . 1 . 1 21 21 VAL HG22 H 1 1.100 0.02 . 2 . . . . A 264 VAL HG22 . 36172 1 229 . 1 . 1 21 21 VAL HG23 H 1 1.100 0.02 . 2 . . . . A 264 VAL HG23 . 36172 1 230 . 1 . 1 21 21 VAL CA C 13 66.900 0.2 . 1 . . . . A 264 VAL CA . 36172 1 231 . 1 . 1 21 21 VAL CB C 13 30.400 0.2 . 1 . . . . A 264 VAL CB . 36172 1 232 . 1 . 1 21 21 VAL CG1 C 13 20.800 0.2 . 1 . . . . A 264 VAL CG1 . 36172 1 233 . 1 . 1 21 21 VAL CG2 C 13 22.870 0.2 . 1 . . . . A 264 VAL CG2 . 36172 1 234 . 1 . 1 21 21 VAL N N 15 118.290 0.1 . 1 . . . . A 264 VAL N . 36172 1 235 . 1 . 1 22 22 GLY H H 1 8.641 0.02 . 1 . . . . A 265 GLY H . 36172 1 236 . 1 . 1 22 22 GLY HA2 H 1 3.637 0.02 . 2 . . . . A 265 GLY HA2 . 36172 1 237 . 1 . 1 22 22 GLY HA3 H 1 3.750 0.02 . 2 . . . . A 265 GLY HA3 . 36172 1 238 . 1 . 1 22 22 GLY CA C 13 47.000 0.2 . 1 . . . . A 265 GLY CA . 36172 1 239 . 1 . 1 22 22 GLY N N 15 106.514 0.1 . 1 . . . . A 265 GLY N . 36172 1 240 . 1 . 1 23 23 LEU H H 1 8.613 0.02 . 1 . . . . A 266 LEU H . 36172 1 241 . 1 . 1 23 23 LEU HA H 1 4.259 0.02 . 1 . . . . A 266 LEU HA . 36172 1 242 . 1 . 1 23 23 LEU HB2 H 1 1.780 0.02 . 2 . . . . A 266 LEU HB2 . 36172 1 243 . 1 . 1 23 23 LEU HB3 H 1 2.010 0.02 . 2 . . . . A 266 LEU HB3 . 36172 1 244 . 1 . 1 23 23 LEU HG H 1 1.960 0.02 . 1 . . . . A 266 LEU HG . 36172 1 245 . 1 . 1 23 23 LEU HD11 H 1 1.000 0.02 . 2 . . . . A 266 LEU HD11 . 36172 1 246 . 1 . 1 23 23 LEU HD12 H 1 1.000 0.02 . 2 . . . . A 266 LEU HD12 . 36172 1 247 . 1 . 1 23 23 LEU HD13 H 1 1.000 0.02 . 2 . . . . A 266 LEU HD13 . 36172 1 248 . 1 . 1 23 23 LEU HD21 H 1 0.940 0.02 . 2 . . . . A 266 LEU HD21 . 36172 1 249 . 1 . 1 23 23 LEU HD22 H 1 0.940 0.02 . 2 . . . . A 266 LEU HD22 . 36172 1 250 . 1 . 1 23 23 LEU HD23 H 1 0.940 0.02 . 2 . . . . A 266 LEU HD23 . 36172 1 251 . 1 . 1 23 23 LEU CA C 13 57.860 0.2 . 1 . . . . A 266 LEU CA . 36172 1 252 . 1 . 1 23 23 LEU CB C 13 41.731 0.2 . 1 . . . . A 266 LEU CB . 36172 1 253 . 1 . 1 23 23 LEU CG C 13 26.400 0.2 . 1 . . . . A 266 LEU CG . 36172 1 254 . 1 . 1 23 23 LEU CD1 C 13 24.600 0.2 . 1 . . . . A 266 LEU CD1 . 36172 1 255 . 1 . 1 23 23 LEU CD2 C 13 23.900 0.2 . 1 . . . . A 266 LEU CD2 . 36172 1 256 . 1 . 1 23 23 LEU N N 15 121.310 0.1 . 1 . . . . A 266 LEU N . 36172 1 257 . 1 . 1 24 24 VAL H H 1 8.519 0.02 . 1 . . . . A 267 VAL H . 36172 1 258 . 1 . 1 24 24 VAL HA H 1 3.620 0.02 . 1 . . . . A 267 VAL HA . 36172 1 259 . 1 . 1 24 24 VAL HB H 1 2.330 0.02 . 1 . . . . A 267 VAL HB . 36172 1 260 . 1 . 1 24 24 VAL HG11 H 1 0.990 0.02 . 2 . . . . A 267 VAL HG11 . 36172 1 261 . 1 . 1 24 24 VAL HG12 H 1 0.990 0.02 . 2 . . . . A 267 VAL HG12 . 36172 1 262 . 1 . 1 24 24 VAL HG13 H 1 0.990 0.02 . 2 . . . . A 267 VAL HG13 . 36172 1 263 . 1 . 1 24 24 VAL HG21 H 1 1.140 0.02 . 2 . . . . A 267 VAL HG21 . 36172 1 264 . 1 . 1 24 24 VAL HG22 H 1 1.140 0.02 . 2 . . . . A 267 VAL HG22 . 36172 1 265 . 1 . 1 24 24 VAL HG23 H 1 1.140 0.02 . 2 . . . . A 267 VAL HG23 . 36172 1 266 . 1 . 1 24 24 VAL CA C 13 66.780 0.2 . 1 . . . . A 267 VAL CA . 36172 1 267 . 1 . 1 24 24 VAL CB C 13 30.500 0.2 . 1 . . . . A 267 VAL CB . 36172 1 268 . 1 . 1 24 24 VAL CG1 C 13 21.100 0.2 . 1 . . . . A 267 VAL CG1 . 36172 1 269 . 1 . 1 24 24 VAL CG2 C 13 22.800 0.2 . 1 . . . . A 267 VAL CG2 . 36172 1 270 . 1 . 1 24 24 VAL N N 15 118.332 0.1 . 1 . . . . A 267 VAL N . 36172 1 271 . 1 . 1 25 25 ALA H H 1 8.820 0.02 . 1 . . . . A 268 ALA H . 36172 1 272 . 1 . 1 25 25 ALA HA H 1 4.050 0.02 . 1 . . . . A 268 ALA HA . 36172 1 273 . 1 . 1 25 25 ALA HB1 H 1 1.600 0.02 . 1 . . . . A 268 ALA HB1 . 36172 1 274 . 1 . 1 25 25 ALA HB2 H 1 1.600 0.02 . 1 . . . . A 268 ALA HB2 . 36172 1 275 . 1 . 1 25 25 ALA HB3 H 1 1.600 0.02 . 1 . . . . A 268 ALA HB3 . 36172 1 276 . 1 . 1 25 25 ALA CA C 13 55.000 0.2 . 1 . . . . A 268 ALA CA . 36172 1 277 . 1 . 1 25 25 ALA CB C 13 17.700 0.2 . 1 . . . . A 268 ALA CB . 36172 1 278 . 1 . 1 25 25 ALA N N 15 121.034 0.1 . 1 . . . . A 268 ALA N . 36172 1 279 . 1 . 1 26 26 TYR H H 1 8.649 0.02 . 1 . . . . A 269 TYR H . 36172 1 280 . 1 . 1 26 26 TYR HA H 1 4.250 0.02 . 1 . . . . A 269 TYR HA . 36172 1 281 . 1 . 1 26 26 TYR HB2 H 1 3.260 0.02 . 2 . . . . A 269 TYR HB2 . 36172 1 282 . 1 . 1 26 26 TYR HB3 H 1 3.400 0.02 . 2 . . . . A 269 TYR HB3 . 36172 1 283 . 1 . 1 26 26 TYR HD1 H 1 7.031 0.02 . 3 . . . . A 269 TYR HD1 . 36172 1 284 . 1 . 1 26 26 TYR HE1 H 1 6.857 0.02 . 3 . . . . A 269 TYR HE1 . 36172 1 285 . 1 . 1 26 26 TYR CA C 13 61.760 0.2 . 1 . . . . A 269 TYR CA . 36172 1 286 . 1 . 1 26 26 TYR CB C 13 38.300 0.2 . 1 . . . . A 269 TYR CB . 36172 1 287 . 1 . 1 26 26 TYR CD1 C 13 131.963 0.2 . 3 . . . . A 269 TYR CD1 . 36172 1 288 . 1 . 1 26 26 TYR CE1 C 13 117.242 0.2 . 3 . . . . A 269 TYR CE1 . 36172 1 289 . 1 . 1 26 26 TYR N N 15 118.002 0.1 . 1 . . . . A 269 TYR N . 36172 1 290 . 1 . 1 27 27 ILE H H 1 8.536 0.02 . 1 . . . . A 270 ILE H . 36172 1 291 . 1 . 1 27 27 ILE HA H 1 3.550 0.02 . 1 . . . . A 270 ILE HA . 36172 1 292 . 1 . 1 27 27 ILE HB H 1 2.130 0.02 . 1 . . . . A 270 ILE HB . 36172 1 293 . 1 . 1 27 27 ILE HG12 H 1 1.370 0.02 . 1 . . . . A 270 ILE HG12 . 36172 1 294 . 1 . 1 27 27 ILE HG13 H 1 2.120 0.02 . 1 . . . . A 270 ILE HG13 . 36172 1 295 . 1 . 1 27 27 ILE HG21 H 1 0.990 0.02 . 1 . . . . A 270 ILE HG21 . 36172 1 296 . 1 . 1 27 27 ILE HG22 H 1 0.990 0.02 . 1 . . . . A 270 ILE HG22 . 36172 1 297 . 1 . 1 27 27 ILE HG23 H 1 0.990 0.02 . 1 . . . . A 270 ILE HG23 . 36172 1 298 . 1 . 1 27 27 ILE HD11 H 1 1.000 0.02 . 1 . . . . A 270 ILE HD11 . 36172 1 299 . 1 . 1 27 27 ILE HD12 H 1 1.000 0.02 . 1 . . . . A 270 ILE HD12 . 36172 1 300 . 1 . 1 27 27 ILE HD13 H 1 1.000 0.02 . 1 . . . . A 270 ILE HD13 . 36172 1 301 . 1 . 1 27 27 ILE CA C 13 64.650 0.2 . 1 . . . . A 270 ILE CA . 36172 1 302 . 1 . 1 27 27 ILE CB C 13 37.000 0.2 . 1 . . . . A 270 ILE CB . 36172 1 303 . 1 . 1 27 27 ILE CG1 C 13 28.800 0.2 . 1 . . . . A 270 ILE CG1 . 36172 1 304 . 1 . 1 27 27 ILE CG2 C 13 17.100 0.2 . 1 . . . . A 270 ILE CG2 . 36172 1 305 . 1 . 1 27 27 ILE CD1 C 13 12.900 0.2 . 1 . . . . A 270 ILE CD1 . 36172 1 306 . 1 . 1 27 27 ILE N N 15 118.300 0.1 . 1 . . . . A 270 ILE N . 36172 1 307 . 1 . 1 28 28 ALA H H 1 8.854 0.02 . 1 . . . . A 271 ALA H . 36172 1 308 . 1 . 1 28 28 ALA HA H 1 3.962 0.02 . 1 . . . . A 271 ALA HA . 36172 1 309 . 1 . 1 28 28 ALA HB1 H 1 1.450 0.02 . 1 . . . . A 271 ALA HB1 . 36172 1 310 . 1 . 1 28 28 ALA HB2 H 1 1.450 0.02 . 1 . . . . A 271 ALA HB2 . 36172 1 311 . 1 . 1 28 28 ALA HB3 H 1 1.450 0.02 . 1 . . . . A 271 ALA HB3 . 36172 1 312 . 1 . 1 28 28 ALA CA C 13 54.970 0.2 . 1 . . . . A 271 ALA CA . 36172 1 313 . 1 . 1 28 28 ALA CB C 13 17.600 0.2 . 1 . . . . A 271 ALA CB . 36172 1 314 . 1 . 1 28 28 ALA N N 15 121.578 0.1 . 1 . . . . A 271 ALA N . 36172 1 315 . 1 . 1 29 29 PHE H H 1 8.762 0.02 . 1 . . . . A 272 PHE H . 36172 1 316 . 1 . 1 29 29 PHE HA H 1 4.280 0.02 . 1 . . . . A 272 PHE HA . 36172 1 317 . 1 . 1 29 29 PHE HB2 H 1 3.289 0.02 . 2 . . . . A 272 PHE HB2 . 36172 1 318 . 1 . 1 29 29 PHE HB3 H 1 3.356 0.02 . 2 . . . . A 272 PHE HB3 . 36172 1 319 . 1 . 1 29 29 PHE HD1 H 1 7.274 0.02 . 3 . . . . A 272 PHE HD1 . 36172 1 320 . 1 . 1 29 29 PHE HE1 H 1 7.419 0.02 . 3 . . . . A 272 PHE HE1 . 36172 1 321 . 1 . 1 29 29 PHE HZ H 1 7.377 0.02 . 1 . . . . A 272 PHE HZ . 36172 1 322 . 1 . 1 29 29 PHE CA C 13 60.850 0.2 . 1 . . . . A 272 PHE CA . 36172 1 323 . 1 . 1 29 29 PHE CB C 13 38.800 0.2 . 1 . . . . A 272 PHE CB . 36172 1 324 . 1 . 1 29 29 PHE CD1 C 13 131.203 0.2 . 3 . . . . A 272 PHE CD1 . 36172 1 325 . 1 . 1 29 29 PHE CE1 C 13 130.601 0.2 . 3 . . . . A 272 PHE CE1 . 36172 1 326 . 1 . 1 29 29 PHE CZ C 13 129.131 0.2 . 1 . . . . A 272 PHE CZ . 36172 1 327 . 1 . 1 29 29 PHE N N 15 117.002 0.1 . 1 . . . . A 272 PHE N . 36172 1 328 . 1 . 1 30 30 LYS H H 1 8.327 0.02 . 1 . . . . A 273 LYS H . 36172 1 329 . 1 . 1 30 30 LYS HA H 1 3.995 0.02 . 1 . . . . A 273 LYS HA . 36172 1 330 . 1 . 1 30 30 LYS HB2 H 1 1.730 0.02 . 2 . . . . A 273 LYS HB2 . 36172 1 331 . 1 . 1 30 30 LYS HB3 H 1 1.850 0.02 . 2 . . . . A 273 LYS HB3 . 36172 1 332 . 1 . 1 30 30 LYS HG2 H 1 1.200 0.02 . 2 . . . . A 273 LYS HG2 . 36172 1 333 . 1 . 1 30 30 LYS HG3 H 1 1.340 0.02 . 2 . . . . A 273 LYS HG3 . 36172 1 334 . 1 . 1 30 30 LYS HD2 H 1 1.650 0.02 . 2 . . . . A 273 LYS HD2 . 36172 1 335 . 1 . 1 30 30 LYS HD3 H 1 1.630 0.02 . 2 . . . . A 273 LYS HD3 . 36172 1 336 . 1 . 1 30 30 LYS HE2 H 1 2.930 0.02 . 2 . . . . A 273 LYS HE2 . 36172 1 337 . 1 . 1 30 30 LYS HE3 H 1 3.050 0.02 . 2 . . . . A 273 LYS HE3 . 36172 1 338 . 1 . 1 30 30 LYS CA C 13 56.950 0.2 . 1 . . . . A 273 LYS CA . 36172 1 339 . 1 . 1 30 30 LYS CB C 13 30.822 0.2 . 1 . . . . A 273 LYS CB . 36172 1 340 . 1 . 1 30 30 LYS CG C 13 23.600 0.2 . 1 . . . . A 273 LYS CG . 36172 1 341 . 1 . 1 30 30 LYS CD C 13 27.400 0.2 . 1 . . . . A 273 LYS CD . 36172 1 342 . 1 . 1 30 30 LYS CE C 13 41.300 0.2 . 1 . . . . A 273 LYS CE . 36172 1 343 . 1 . 1 30 30 LYS N N 15 117.700 0.1 . 1 . . . . A 273 LYS N . 36172 1 344 . 1 . 1 31 31 ARG H H 1 8.209 0.02 . 1 . . . . A 274 ARG H . 36172 1 345 . 1 . 1 31 31 ARG HA H 1 4.268 0.02 . 1 . . . . A 274 ARG HA . 36172 1 346 . 1 . 1 31 31 ARG HB2 H 1 1.860 0.02 . 2 . . . . A 274 ARG HB2 . 36172 1 347 . 1 . 1 31 31 ARG HB3 H 1 1.940 0.02 . 2 . . . . A 274 ARG HB3 . 36172 1 348 . 1 . 1 31 31 ARG HG2 H 1 1.620 0.02 . 2 . . . . A 274 ARG HG2 . 36172 1 349 . 1 . 1 31 31 ARG HG3 H 1 1.670 0.02 . 2 . . . . A 274 ARG HG3 . 36172 1 350 . 1 . 1 31 31 ARG HD2 H 1 3.064 0.02 . 2 . . . . A 274 ARG HD2 . 36172 1 351 . 1 . 1 31 31 ARG HD3 H 1 3.205 0.02 . 2 . . . . A 274 ARG HD3 . 36172 1 352 . 1 . 1 31 31 ARG HE H 1 7.732 0.02 . 1 . . . . A 274 ARG HE . 36172 1 353 . 1 . 1 31 31 ARG CA C 13 56.635 0.2 . 1 . . . . A 274 ARG CA . 36172 1 354 . 1 . 1 31 31 ARG CB C 13 29.500 0.2 . 1 . . . . A 274 ARG CB . 36172 1 355 . 1 . 1 31 31 ARG CG C 13 26.900 0.2 . 1 . . . . A 274 ARG CG . 36172 1 356 . 1 . 1 31 31 ARG CD C 13 42.200 0.2 . 1 . . . . A 274 ARG CD . 36172 1 357 . 1 . 1 31 31 ARG N N 15 117.919 0.1 . 1 . . . . A 274 ARG N . 36172 1 358 . 1 . 1 31 31 ARG NE N 15 84.188 0.1 . 1 . . . . A 274 ARG NE . 36172 1 359 . 1 . 1 32 32 TRP H H 1 8.306 0.02 . 1 . . . . A 275 TRP H . 36172 1 360 . 1 . 1 32 32 TRP HA H 1 4.555 0.02 . 1 . . . . A 275 TRP HA . 36172 1 361 . 1 . 1 32 32 TRP HB2 H 1 3.380 0.02 . 2 . . . . A 275 TRP HB2 . 36172 1 362 . 1 . 1 32 32 TRP HB3 H 1 3.360 0.02 . 2 . . . . A 275 TRP HB3 . 36172 1 363 . 1 . 1 32 32 TRP HD1 H 1 7.288 0.02 . 1 . . . . A 275 TRP HD1 . 36172 1 364 . 1 . 1 32 32 TRP HE1 H 1 10.637 0.02 . 1 . . . . A 275 TRP HE1 . 36172 1 365 . 1 . 1 32 32 TRP HE3 H 1 7.598 0.02 . 4 . . . . A 275 TRP HE3 . 36172 1 366 . 1 . 1 32 32 TRP HZ2 H 1 7.567 0.02 . 4 . . . . A 275 TRP HZ2 . 36172 1 367 . 1 . 1 32 32 TRP HZ3 H 1 7.030 0.02 . 4 . . . . A 275 TRP HZ3 . 36172 1 368 . 1 . 1 32 32 TRP HH2 H 1 7.184 0.02 . 1 . . . . A 275 TRP HH2 . 36172 1 369 . 1 . 1 32 32 TRP CA C 13 58.527 0.2 . 1 . . . . A 275 TRP CA . 36172 1 370 . 1 . 1 32 32 TRP CB C 13 29.000 0.2 . 1 . . . . A 275 TRP CB . 36172 1 371 . 1 . 1 32 32 TRP CD1 C 13 125.741 0.2 . 4 . . . . A 275 TRP CD1 . 36172 1 372 . 1 . 1 32 32 TRP CE3 C 13 120.350 0.2 . 4 . . . . A 275 TRP CE3 . 36172 1 373 . 1 . 1 32 32 TRP CZ2 C 13 113.920 0.2 . 4 . . . . A 275 TRP CZ2 . 36172 1 374 . 1 . 1 32 32 TRP CZ3 C 13 120.400 0.2 . 4 . . . . A 275 TRP CZ3 . 36172 1 375 . 1 . 1 32 32 TRP CH2 C 13 123.249 0.2 . 1 . . . . A 275 TRP CH2 . 36172 1 376 . 1 . 1 32 32 TRP N N 15 120.104 0.1 . 1 . . . . A 275 TRP N . 36172 1 377 . 1 . 1 32 32 TRP NE1 N 15 129.950 0.1 . 1 . . . . A 275 TRP NE1 . 36172 1 378 . 1 . 1 33 33 ASN H H 1 7.944 0.02 . 1 . . . . A 276 ASN H . 36172 1 379 . 1 . 1 33 33 ASN HA H 1 4.564 0.02 . 1 . . . . A 276 ASN HA . 36172 1 380 . 1 . 1 33 33 ASN HB2 H 1 2.754 0.02 . 2 . . . . A 276 ASN HB2 . 36172 1 381 . 1 . 1 33 33 ASN HB3 H 1 2.428 0.02 . 2 . . . . A 276 ASN HB3 . 36172 1 382 . 1 . 1 33 33 ASN HD21 H 1 7.221 0.02 . 2 . . . . A 276 ASN HD21 . 36172 1 383 . 1 . 1 33 33 ASN HD22 H 1 6.683 0.02 . 2 . . . . A 276 ASN HD22 . 36172 1 384 . 1 . 1 33 33 ASN CA C 13 52.587 0.2 . 1 . . . . A 276 ASN CA . 36172 1 385 . 1 . 1 33 33 ASN CB C 13 39.000 0.2 . 1 . . . . A 276 ASN CB . 36172 1 386 . 1 . 1 33 33 ASN N N 15 117.292 0.1 . 1 . . . . A 276 ASN N . 36172 1 387 . 1 . 1 33 33 ASN ND2 N 15 112.106 0.1 . 1 . . . . A 276 ASN ND2 . 36172 1 388 . 1 . 1 34 34 SER H H 1 7.570 0.02 . 1 . . . . A 277 SER H . 36172 1 389 . 1 . 1 34 34 SER HA H 1 4.310 0.02 . 1 . . . . A 277 SER HA . 36172 1 390 . 1 . 1 34 34 SER HB2 H 1 3.939 0.02 . 2 . . . . A 277 SER HB2 . 36172 1 391 . 1 . 1 34 34 SER HB3 H 1 3.939 0.02 . 2 . . . . A 277 SER HB3 . 36172 1 392 . 1 . 1 34 34 SER CA C 13 59.676 0.2 . 1 . . . . A 277 SER CA . 36172 1 393 . 1 . 1 34 34 SER CB C 13 64.567 0.2 . 1 . . . . A 277 SER CB . 36172 1 394 . 1 . 1 34 34 SER N N 15 120.408 0.1 . 1 . . . . A 277 SER N . 36172 1 stop_ loop_ _Ambiguous_atom_chem_shift.Ambiguous_shift_set_ID _Ambiguous_atom_chem_shift.Atom_chem_shift_ID _Ambiguous_atom_chem_shift.Entry_ID _Ambiguous_atom_chem_shift.Assigned_chem_shift_list_ID 1 365 36172 1 1 366 36172 1 1 367 36172 1 2 371 36172 1 2 372 36172 1 2 373 36172 1 2 374 36172 1 stop_ save_