################################### # 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 50919 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'PD in presence of satturating amounts of La3+' _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-13C HMQC' . . . 50919 1 2 '4D 1H-13C HMQC-NOESY-HMQC' . . . 50919 1 3 '2D 1H-13C HMQC' . . . 50919 1 4 '2D 1H-13C HMQC' . . . 50919 1 5 '2D 1H-13C HMQC' . . . 50919 1 6 '2D 1H-13C HMQC' . . . 50919 1 7 '2D 1H-13C HMQC' . . . 50919 1 8 '2D 1H-13C HMQC' . . . 50919 1 9 '2D 1H-13C HMQC' . . . 50919 1 10 '2D 1H-13C HMQC' . . . 50919 1 11 '2D 1H-13C HMQC' . . . 50919 1 12 '2D 1H-13C HMQC' . . . 50919 1 13 '2D 1H-13C HMQC' . . . 50919 1 14 '2D 1H-13C HMQC' . . . 50919 1 15 '2D 1H-13C HMQC' . . . 50919 1 16 '2D 1H-13C HMQC' . . . 50919 1 17 '2D 1H-13C HMQC' . . . 50919 1 18 '2D 1H-13C HMQC' . . . 50919 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 1 $software_1 . . 50919 1 2 $software_2 . . 50919 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 4 4 MET HE1 H 1 1.59395 0.002 . 1 . . . . . 229 MET ME . 50919 1 2 . 1 . 1 4 4 MET HE2 H 1 1.59395 0.002 . 1 . . . . . 229 MET ME . 50919 1 3 . 1 . 1 4 4 MET HE3 H 1 1.59395 0.002 . 1 . . . . . 229 MET ME . 50919 1 4 . 1 . 1 4 4 MET CE C 13 16.93945 0.01 . 1 . . . . . 229 MET CE . 50919 1 5 . 1 . 1 5 5 VAL HG21 H 1 0.69434 0.002 . 1 . . . . . 230 VAL MG2 . 50919 1 6 . 1 . 1 5 5 VAL HG22 H 1 0.69434 0.002 . 1 . . . . . 230 VAL MG2 . 50919 1 7 . 1 . 1 5 5 VAL HG23 H 1 0.69434 0.002 . 1 . . . . . 230 VAL MG2 . 50919 1 8 . 1 . 1 5 5 VAL CG2 C 13 22.17271 0.01 . 1 . . . . . 230 VAL CG2 . 50919 1 9 . 1 . 1 7 7 LEU HD21 H 1 0.2845 0.002 . 1 . . . . . 232 LEU MD2 . 50919 1 10 . 1 . 1 7 7 LEU HD22 H 1 0.2845 0.002 . 1 . . . . . 232 LEU MD2 . 50919 1 11 . 1 . 1 7 7 LEU HD23 H 1 0.2845 0.002 . 1 . . . . . 232 LEU MD2 . 50919 1 12 . 1 . 1 7 7 LEU CD2 C 13 22.49378 0.01 . 1 . . . . . 232 LEU CD2 . 50919 1 13 . 1 . 1 9 9 VAL HG21 H 1 0.8413 0.002 . 1 . . . . . 234 VAL MG2 . 50919 1 14 . 1 . 1 9 9 VAL HG22 H 1 0.8413 0.002 . 1 . . . . . 234 VAL MG2 . 50919 1 15 . 1 . 1 9 9 VAL HG23 H 1 0.8413 0.002 . 1 . . . . . 234 VAL MG2 . 50919 1 16 . 1 . 1 9 9 VAL CG2 C 13 20.287 0.01 . 1 . . . . . 234 VAL CG2 . 50919 1 17 . 1 . 1 10 10 ILE HD11 H 1 0.58187 0.002 . 1 . . . . . 235 ILE MD . 50919 1 18 . 1 . 1 10 10 ILE HD12 H 1 0.58187 0.002 . 1 . . . . . 235 ILE MD . 50919 1 19 . 1 . 1 10 10 ILE HD13 H 1 0.58187 0.002 . 1 . . . . . 235 ILE MD . 50919 1 20 . 1 . 1 10 10 ILE CD1 C 13 13.71879 0.01 . 1 . . . . . 235 ILE CD1 . 50919 1 21 . 1 . 1 27 27 LEU HD21 H 1 0.49912 0.002 . 1 . . . . . 252 LEU MD2 . 50919 1 22 . 1 . 1 27 27 LEU HD22 H 1 0.49912 0.002 . 1 . . . . . 252 LEU MD2 . 50919 1 23 . 1 . 1 27 27 LEU HD23 H 1 0.49912 0.002 . 1 . . . . . 252 LEU MD2 . 50919 1 24 . 1 . 1 27 27 LEU CD2 C 13 26.08915 0.01 . 1 . . . . . 252 LEU CD2 . 50919 1 25 . 1 . 1 29 29 VAL HG21 H 1 0.38145 0.002 . 1 . . . . . 254 VAL MG2 . 50919 1 26 . 1 . 1 29 29 VAL HG22 H 1 0.38145 0.002 . 1 . . . . . 254 VAL MG2 . 50919 1 27 . 1 . 1 29 29 VAL HG23 H 1 0.38145 0.002 . 1 . . . . . 254 VAL MG2 . 50919 1 28 . 1 . 1 29 29 VAL CG2 C 13 19.16748 0.01 . 1 . . . . . 254 VAL CG2 . 50919 1 29 . 1 . 1 44 44 VAL HG21 H 1 1.34739 0.002 . 1 . . . . . 269 VAL MG2 . 50919 1 30 . 1 . 1 44 44 VAL HG22 H 1 1.34739 0.002 . 1 . . . . . 269 VAL MG2 . 50919 1 31 . 1 . 1 44 44 VAL HG23 H 1 1.34739 0.002 . 1 . . . . . 269 VAL MG2 . 50919 1 32 . 1 . 1 44 44 VAL CG2 C 13 20.71399 0.01 . 1 . . . . . 269 VAL CG2 . 50919 1 33 . 1 . 1 46 46 VAL HG21 H 1 0.64892 0.002 . 1 . . . . . 271 VAL MG2 . 50919 1 34 . 1 . 1 46 46 VAL HG22 H 1 0.64892 0.002 . 1 . . . . . 271 VAL MG2 . 50919 1 35 . 1 . 1 46 46 VAL HG23 H 1 0.64892 0.002 . 1 . . . . . 271 VAL MG2 . 50919 1 36 . 1 . 1 46 46 VAL CG2 C 13 23.15501 0.01 . 1 . . . . . 271 VAL CG2 . 50919 1 37 . 1 . 1 50 50 LEU HD21 H 1 0.69838 0.002 . 1 . . . . . 275 LEU MD2 . 50919 1 38 . 1 . 1 50 50 LEU HD22 H 1 0.69838 0.002 . 1 . . . . . 275 LEU MD2 . 50919 1 39 . 1 . 1 50 50 LEU HD23 H 1 0.69838 0.002 . 1 . . . . . 275 LEU MD2 . 50919 1 40 . 1 . 1 50 50 LEU CD2 C 13 23.61784 0.01 . 1 . . . . . 275 LEU CD2 . 50919 1 41 . 1 . 1 56 56 ILE HD11 H 1 0.68942 0.002 . 1 . . . . . 281 ILE MD . 50919 1 42 . 1 . 1 56 56 ILE HD12 H 1 0.68942 0.002 . 1 . . . . . 281 ILE MD . 50919 1 43 . 1 . 1 56 56 ILE HD13 H 1 0.68942 0.002 . 1 . . . . . 281 ILE MD . 50919 1 44 . 1 . 1 56 56 ILE CD1 C 13 11.893 0.01 . 1 . . . . . 281 ILE CD1 . 50919 1 45 . 1 . 1 66 66 ALA HB1 H 1 1.27709 0.002 . 1 . . . . . 291 ALA MB . 50919 1 46 . 1 . 1 66 66 ALA HB2 H 1 1.27709 0.002 . 1 . . . . . 291 ALA MB . 50919 1 47 . 1 . 1 66 66 ALA HB3 H 1 1.27709 0.002 . 1 . . . . . 291 ALA MB . 50919 1 48 . 1 . 1 66 66 ALA CB C 13 24.47212 0.01 . 1 . . . . . 291 ALA CB . 50919 1 49 . 1 . 1 68 68 ALA HB1 H 1 1.07752 0.002 . 1 . . . . . 293 ALA MB . 50919 1 50 . 1 . 1 68 68 ALA HB2 H 1 1.07752 0.002 . 1 . . . . . 293 ALA MB . 50919 1 51 . 1 . 1 68 68 ALA HB3 H 1 1.07752 0.002 . 1 . . . . . 293 ALA MB . 50919 1 52 . 1 . 1 68 68 ALA CB C 13 24.1714 0.01 . 1 . . . . . 293 ALA CB . 50919 1 53 . 1 . 1 69 69 ALA HB1 H 1 1.18975 0.002 . 1 . . . . . 294 ALA MB . 50919 1 54 . 1 . 1 69 69 ALA HB2 H 1 1.18975 0.002 . 1 . . . . . 294 ALA MB . 50919 1 55 . 1 . 1 69 69 ALA HB3 H 1 1.18975 0.002 . 1 . . . . . 294 ALA MB . 50919 1 56 . 1 . 1 69 69 ALA CB C 13 21.1731 0.01 . 1 . . . . . 294 ALA CB . 50919 1 57 . 1 . 1 79 79 VAL HG21 H 1 0.84937 0.002 . 1 . . . . . 304 VAL MG2 . 50919 1 58 . 1 . 1 79 79 VAL HG22 H 1 0.84937 0.002 . 1 . . . . . 304 VAL MG2 . 50919 1 59 . 1 . 1 79 79 VAL HG23 H 1 0.84937 0.002 . 1 . . . . . 304 VAL MG2 . 50919 1 60 . 1 . 1 79 79 VAL CG2 C 13 20.55994 0.01 . 1 . . . . . 304 VAL CG2 . 50919 1 61 . 1 . 1 80 80 ALA HB1 H 1 0.08426 0.002 . 1 . . . . . 305 ALA MB . 50919 1 62 . 1 . 1 80 80 ALA HB2 H 1 0.08426 0.002 . 1 . . . . . 305 ALA MB . 50919 1 63 . 1 . 1 80 80 ALA HB3 H 1 0.08426 0.002 . 1 . . . . . 305 ALA MB . 50919 1 64 . 1 . 1 80 80 ALA CB C 13 22.73193 0.01 . 1 . . . . . 305 ALA CB . 50919 1 65 . 1 . 1 84 84 LEU HD21 H 1 0.52484 0.002 . 1 . . . . . 309 LEU MD2 . 50919 1 66 . 1 . 1 84 84 LEU HD22 H 1 0.52484 0.002 . 1 . . . . . 309 LEU MD2 . 50919 1 67 . 1 . 1 84 84 LEU HD23 H 1 0.52484 0.002 . 1 . . . . . 309 LEU MD2 . 50919 1 68 . 1 . 1 84 84 LEU CD2 C 13 23.05203 0.01 . 1 . . . . . 309 LEU CD2 . 50919 1 69 . 1 . 1 85 85 ILE HD11 H 1 0.81528 0.002 . 1 . . . . . 310 ILE MD . 50919 1 70 . 1 . 1 85 85 ILE HD12 H 1 0.81528 0.002 . 1 . . . . . 310 ILE MD . 50919 1 71 . 1 . 1 85 85 ILE HD13 H 1 0.81528 0.002 . 1 . . . . . 310 ILE MD . 50919 1 72 . 1 . 1 85 85 ILE CD1 C 13 14.18122 0.01 . 1 . . . . . 310 ILE CD1 . 50919 1 73 . 1 . 1 98 98 ALA HB1 H 1 0.21434 0.002 . 1 . . . . . 323 ALA MB . 50919 1 74 . 1 . 1 98 98 ALA HB2 H 1 0.21434 0.002 . 1 . . . . . 323 ALA MB . 50919 1 75 . 1 . 1 98 98 ALA HB3 H 1 0.21434 0.002 . 1 . . . . . 323 ALA MB . 50919 1 76 . 1 . 1 98 98 ALA CB C 13 18.10341 0.01 . 1 . . . . . 323 ALA CB . 50919 1 77 . 1 . 1 99 99 ALA HB1 H 1 1.18601 0.002 . 1 . . . . . 324 ALA MB . 50919 1 78 . 1 . 1 99 99 ALA HB2 H 1 1.18601 0.002 . 1 . . . . . 324 ALA MB . 50919 1 79 . 1 . 1 99 99 ALA HB3 H 1 1.18601 0.002 . 1 . . . . . 324 ALA MB . 50919 1 80 . 1 . 1 99 99 ALA CB C 13 19.51115 0.01 . 1 . . . . . 324 ALA CB . 50919 1 81 . 1 . 1 110 110 LEU HD21 H 1 1.03375 0.002 . 1 . . . . . 335 LEU MD2 . 50919 1 82 . 1 . 1 110 110 LEU HD22 H 1 1.03375 0.002 . 1 . . . . . 335 LEU MD2 . 50919 1 83 . 1 . 1 110 110 LEU HD23 H 1 1.03375 0.002 . 1 . . . . . 335 LEU MD2 . 50919 1 84 . 1 . 1 110 110 LEU CD2 C 13 26.16063 0.01 . 1 . . . . . 335 LEU CD2 . 50919 1 85 . 1 . 1 112 112 ILE HD11 H 1 0.78819 0.002 . 1 . . . . . 337 ILE MD . 50919 1 86 . 1 . 1 112 112 ILE HD12 H 1 0.78819 0.002 . 1 . . . . . 337 ILE MD . 50919 1 87 . 1 . 1 112 112 ILE HD13 H 1 0.78819 0.002 . 1 . . . . . 337 ILE MD . 50919 1 88 . 1 . 1 112 112 ILE CD1 C 13 14.46184 0.01 . 1 . . . . . 337 ILE CD1 . 50919 1 89 . 1 . 1 114 114 VAL HG21 H 1 0.78819 0.002 . 1 . . . . . 339 VAL MG2 . 50919 1 90 . 1 . 1 114 114 VAL HG22 H 1 0.78819 0.002 . 1 . . . . . 339 VAL MG2 . 50919 1 91 . 1 . 1 114 114 VAL HG23 H 1 0.78819 0.002 . 1 . . . . . 339 VAL MG2 . 50919 1 92 . 1 . 1 114 114 VAL CG2 C 13 19.47886 0.01 . 1 . . . . . 339 VAL CG2 . 50919 1 93 . 1 . 1 127 127 VAL HG21 H 1 0.73507 0.002 . 1 . . . . . 352 VAL MG2 . 50919 1 94 . 1 . 1 127 127 VAL HG22 H 1 0.73507 0.002 . 1 . . . . . 352 VAL MG2 . 50919 1 95 . 1 . 1 127 127 VAL HG23 H 1 0.73507 0.002 . 1 . . . . . 352 VAL MG2 . 50919 1 96 . 1 . 1 127 127 VAL CG2 C 13 18.98557 0.01 . 1 . . . . . 352 VAL CG2 . 50919 1 97 . 1 . 1 132 132 MET HE1 H 1 1.94982 0.002 . 1 . . . . . 357 MET ME . 50919 1 98 . 1 . 1 132 132 MET HE2 H 1 1.94982 0.002 . 1 . . . . . 357 MET ME . 50919 1 99 . 1 . 1 132 132 MET HE3 H 1 1.94982 0.002 . 1 . . . . . 357 MET ME . 50919 1 100 . 1 . 1 132 132 MET CE C 13 18.04909 0.01 . 1 . . . . . 357 MET CE . 50919 1 101 . 1 . 1 133 133 ILE HD11 H 1 0.99007 0.002 . 1 . . . . . 358 ILE MD . 50919 1 102 . 1 . 1 133 133 ILE HD12 H 1 0.99007 0.002 . 1 . . . . . 358 ILE MD . 50919 1 103 . 1 . 1 133 133 ILE HD13 H 1 0.99007 0.002 . 1 . . . . . 358 ILE MD . 50919 1 104 . 1 . 1 133 133 ILE CD1 C 13 12.86138 0.01 . 1 . . . . . 358 ILE CD1 . 50919 1 105 . 1 . 1 134 134 LEU HD21 H 1 0.77491 0.002 . 1 . . . . . 359 LEU MD2 . 50919 1 106 . 1 . 1 134 134 LEU HD22 H 1 0.77491 0.002 . 1 . . . . . 359 LEU MD2 . 50919 1 107 . 1 . 1 134 134 LEU HD23 H 1 0.77491 0.002 . 1 . . . . . 359 LEU MD2 . 50919 1 108 . 1 . 1 134 134 LEU CD2 C 13 22.16353 0.01 . 1 . . . . . 359 LEU CD2 . 50919 1 109 . 1 . 1 140 140 ALA HB1 H 1 1.40227 0.002 . 1 . . . . . 365 ALA MB . 50919 1 110 . 1 . 1 140 140 ALA HB2 H 1 1.40227 0.002 . 1 . . . . . 365 ALA MB . 50919 1 111 . 1 . 1 140 140 ALA HB3 H 1 1.40227 0.002 . 1 . . . . . 365 ALA MB . 50919 1 112 . 1 . 1 140 140 ALA CB C 13 19.26629 0.01 . 1 . . . . . 365 ALA CB . 50919 1 113 . 1 . 1 149 149 VAL HG21 H 1 0.47044 0.002 . 1 . . . . . 374 VAL MG2 . 50919 1 114 . 1 . 1 149 149 VAL HG22 H 1 0.47044 0.002 . 1 . . . . . 374 VAL MG2 . 50919 1 115 . 1 . 1 149 149 VAL HG23 H 1 0.47044 0.002 . 1 . . . . . 374 VAL MG2 . 50919 1 116 . 1 . 1 149 149 VAL CG2 C 13 19.79075 0.01 . 1 . . . . . 374 VAL CG2 . 50919 1 117 . 1 . 1 151 151 ALA HB1 H 1 1.55124 0.002 . 1 . . . . . 376 ALA MB . 50919 1 118 . 1 . 1 151 151 ALA HB2 H 1 1.55124 0.002 . 1 . . . . . 376 ALA MB . 50919 1 119 . 1 . 1 151 151 ALA HB3 H 1 1.55124 0.002 . 1 . . . . . 376 ALA MB . 50919 1 120 . 1 . 1 151 151 ALA CB C 13 25.00053 0.01 . 1 . . . . . 376 ALA CB . 50919 1 121 . 1 . 1 153 153 VAL HG21 H 1 0.95203 0.002 . 1 . . . . . 378 VAL MG2 . 50919 1 122 . 1 . 1 153 153 VAL HG22 H 1 0.95203 0.002 . 1 . . . . . 378 VAL MG2 . 50919 1 123 . 1 . 1 153 153 VAL HG23 H 1 0.95203 0.002 . 1 . . . . . 378 VAL MG2 . 50919 1 124 . 1 . 1 153 153 VAL CG2 C 13 21.20101 0.01 . 1 . . . . . 378 VAL CG2 . 50919 1 125 . 1 . 1 155 155 ALA HB1 H 1 1.59839 0.002 . 1 . . . . . 380 ALA MB . 50919 1 126 . 1 . 1 155 155 ALA HB2 H 1 1.59839 0.002 . 1 . . . . . 380 ALA MB . 50919 1 127 . 1 . 1 155 155 ALA HB3 H 1 1.59839 0.002 . 1 . . . . . 380 ALA MB . 50919 1 128 . 1 . 1 155 155 ALA CB C 13 21.50516 0.01 . 1 . . . . . 380 ALA CB . 50919 1 129 . 1 . 1 156 156 ALA HB1 H 1 1.42842 0.002 . 1 . . . . . 381 ALA MB . 50919 1 130 . 1 . 1 156 156 ALA HB2 H 1 1.42842 0.002 . 1 . . . . . 381 ALA MB . 50919 1 131 . 1 . 1 156 156 ALA HB3 H 1 1.42842 0.002 . 1 . . . . . 381 ALA MB . 50919 1 132 . 1 . 1 156 156 ALA CB C 13 19.09039 0.01 . 1 . . . . . 381 ALA CB . 50919 1 133 . 1 . 1 157 157 ALA HB1 H 1 1.07218 0.002 . 1 . . . . . 382 ALA MB . 50919 1 134 . 1 . 1 157 157 ALA HB2 H 1 1.07218 0.002 . 1 . . . . . 382 ALA MB . 50919 1 135 . 1 . 1 157 157 ALA HB3 H 1 1.07218 0.002 . 1 . . . . . 382 ALA MB . 50919 1 136 . 1 . 1 157 157 ALA CB C 13 21.38093 0.01 . 1 . . . . . 382 ALA CB . 50919 1 137 . 1 . 1 159 159 LEU HD21 H 1 0.79908 0.002 . 1 . . . . . 384 LEU MD2 . 50919 1 138 . 1 . 1 159 159 LEU HD22 H 1 0.79908 0.002 . 1 . . . . . 384 LEU MD2 . 50919 1 139 . 1 . 1 159 159 LEU HD23 H 1 0.79908 0.002 . 1 . . . . . 384 LEU MD2 . 50919 1 140 . 1 . 1 159 159 LEU CD2 C 13 22.27045 0.01 . 1 . . . . . 384 LEU CD2 . 50919 1 141 . 1 . 1 162 162 VAL HG21 H 1 0.79688 0.002 . 1 . . . . . 387 VAL MG2 . 50919 1 142 . 1 . 1 162 162 VAL HG22 H 1 0.79688 0.002 . 1 . . . . . 387 VAL MG2 . 50919 1 143 . 1 . 1 162 162 VAL HG23 H 1 0.79688 0.002 . 1 . . . . . 387 VAL MG2 . 50919 1 144 . 1 . 1 162 162 VAL CG2 C 13 21.7043 0.01 . 1 . . . . . 387 VAL CG2 . 50919 1 145 . 1 . 1 166 166 VAL HG21 H 1 0.6346 0.002 . 1 . . . . . 391 VAL MG2 . 50919 1 146 . 1 . 1 166 166 VAL HG22 H 1 0.6346 0.002 . 1 . . . . . 391 VAL MG2 . 50919 1 147 . 1 . 1 166 166 VAL HG23 H 1 0.6346 0.002 . 1 . . . . . 391 VAL MG2 . 50919 1 148 . 1 . 1 166 166 VAL CG2 C 13 18.78585 0.01 . 1 . . . . . 391 VAL CG2 . 50919 1 149 . 1 . 1 168 168 ALA HB1 H 1 -0.46386 0.002 . 1 . . . . . 393 ALA MB . 50919 1 150 . 1 . 1 168 168 ALA HB2 H 1 -0.46386 0.002 . 1 . . . . . 393 ALA MB . 50919 1 151 . 1 . 1 168 168 ALA HB3 H 1 -0.46386 0.002 . 1 . . . . . 393 ALA MB . 50919 1 152 . 1 . 1 168 168 ALA CB C 13 19.84651 0.01 . 1 . . . . . 393 ALA CB . 50919 1 153 . 1 . 1 173 173 ILE HD11 H 1 1.31438 0.002 . 1 . . . . . 398 ILE MD . 50919 1 154 . 1 . 1 173 173 ILE HD12 H 1 1.31438 0.002 . 1 . . . . . 398 ILE MD . 50919 1 155 . 1 . 1 173 173 ILE HD13 H 1 1.31438 0.002 . 1 . . . . . 398 ILE MD . 50919 1 156 . 1 . 1 173 173 ILE CD1 C 13 14.5254 0.01 . 1 . . . . . 398 ILE CD1 . 50919 1 157 . 1 . 1 180 180 ILE HD11 H 1 1.12561 0.002 . 1 . . . . . 405 ILE MD . 50919 1 158 . 1 . 1 180 180 ILE HD12 H 1 1.12561 0.002 . 1 . . . . . 405 ILE MD . 50919 1 159 . 1 . 1 180 180 ILE HD13 H 1 1.12561 0.002 . 1 . . . . . 405 ILE MD . 50919 1 160 . 1 . 1 180 180 ILE CD1 C 13 14.57824 0.01 . 1 . . . . . 405 ILE CD1 . 50919 1 161 . 1 . 1 189 189 VAL HG21 H 1 0.54315 0.002 . 1 . . . . . 414 VAL MG2 . 50919 1 162 . 1 . 1 189 189 VAL HG22 H 1 0.54315 0.002 . 1 . . . . . 414 VAL MG2 . 50919 1 163 . 1 . 1 189 189 VAL HG23 H 1 0.54315 0.002 . 1 . . . . . 414 VAL MG2 . 50919 1 164 . 1 . 1 189 189 VAL CG2 C 13 18.79137 0.01 . 1 . . . . . 414 VAL CG2 . 50919 1 165 . 1 . 1 191 191 LEU HD21 H 1 0.805 0.002 . 1 . . . . . 416 LEU MD2 . 50919 1 166 . 1 . 1 191 191 LEU HD22 H 1 0.805 0.002 . 1 . . . . . 416 LEU MD2 . 50919 1 167 . 1 . 1 191 191 LEU HD23 H 1 0.805 0.002 . 1 . . . . . 416 LEU MD2 . 50919 1 168 . 1 . 1 191 191 LEU CD2 C 13 23.53425 0.01 . 1 . . . . . 416 LEU CD2 . 50919 1 169 . 1 . 1 195 195 ILE HD11 H 1 0.83048 0.002 . 1 . . . . . 420 ILE MD . 50919 1 170 . 1 . 1 195 195 ILE HD12 H 1 0.83048 0.002 . 1 . . . . . 420 ILE MD . 50919 1 171 . 1 . 1 195 195 ILE HD13 H 1 0.83048 0.002 . 1 . . . . . 420 ILE MD . 50919 1 172 . 1 . 1 195 195 ILE CD1 C 13 14.13943 0.01 . 1 . . . . . 420 ILE CD1 . 50919 1 173 . 1 . 1 203 203 VAL HG21 H 1 0.97988 0.002 . 1 . . . . . 428 VAL MG2 . 50919 1 174 . 1 . 1 203 203 VAL HG22 H 1 0.97988 0.002 . 1 . . . . . 428 VAL MG2 . 50919 1 175 . 1 . 1 203 203 VAL HG23 H 1 0.97988 0.002 . 1 . . . . . 428 VAL MG2 . 50919 1 176 . 1 . 1 203 203 VAL CG2 C 13 20.75791 0.01 . 1 . . . . . 428 VAL CG2 . 50919 1 177 . 1 . 1 204 204 LEU HD21 H 1 0.8342 0.002 . 1 . . . . . 429 LEU MD2 . 50919 1 178 . 1 . 1 204 204 LEU HD22 H 1 0.8342 0.002 . 1 . . . . . 429 LEU MD2 . 50919 1 179 . 1 . 1 204 204 LEU HD23 H 1 0.8342 0.002 . 1 . . . . . 429 LEU MD2 . 50919 1 180 . 1 . 1 204 204 LEU CD2 C 13 26.67454 0.01 . 1 . . . . . 429 LEU CD2 . 50919 1 181 . 1 . 1 205 205 LEU HD21 H 1 0.81877 0.002 . 1 . . . . . 430 LEU MD2 . 50919 1 182 . 1 . 1 205 205 LEU HD22 H 1 0.81877 0.002 . 1 . . . . . 430 LEU MD2 . 50919 1 183 . 1 . 1 205 205 LEU HD23 H 1 0.81877 0.002 . 1 . . . . . 430 LEU MD2 . 50919 1 184 . 1 . 1 205 205 LEU CD2 C 13 26.97643 0.01 . 1 . . . . . 430 LEU CD2 . 50919 1 185 . 1 . 1 211 211 MET HE1 H 1 -0.14694 0.002 . 1 . . . . . 436 MET ME . 50919 1 186 . 1 . 1 211 211 MET HE2 H 1 -0.14694 0.002 . 1 . . . . . 436 MET ME . 50919 1 187 . 1 . 1 211 211 MET HE3 H 1 -0.14694 0.002 . 1 . . . . . 436 MET ME . 50919 1 188 . 1 . 1 211 211 MET CE C 13 16.27903 0.01 . 1 . . . . . 436 MET CE . 50919 1 189 . 1 . 1 214 214 ILE HD11 H 1 0.82765 0.002 . 1 . . . . . 439 ILE MD . 50919 1 190 . 1 . 1 214 214 ILE HD12 H 1 0.82765 0.002 . 1 . . . . . 439 ILE MD . 50919 1 191 . 1 . 1 214 214 ILE HD13 H 1 0.82765 0.002 . 1 . . . . . 439 ILE MD . 50919 1 192 . 1 . 1 214 214 ILE CD1 C 13 12.72562 0.01 . 1 . . . . . 439 ILE CD1 . 50919 1 193 . 1 . 1 217 217 ALA HB1 H 1 1.42231 0.002 . 1 . . . . . 442 ALA MB . 50919 1 194 . 1 . 1 217 217 ALA HB2 H 1 1.42231 0.002 . 1 . . . . . 442 ALA MB . 50919 1 195 . 1 . 1 217 217 ALA HB3 H 1 1.42231 0.002 . 1 . . . . . 442 ALA MB . 50919 1 196 . 1 . 1 217 217 ALA CB C 13 22.55388 0.01 . 1 . . . . . 442 ALA CB . 50919 1 197 . 1 . 1 219 219 ALA HB1 H 1 1.24906 0.002 . 1 . . . . . 444 ALA MB . 50919 1 198 . 1 . 1 219 219 ALA HB2 H 1 1.24906 0.002 . 1 . . . . . 444 ALA MB . 50919 1 199 . 1 . 1 219 219 ALA HB3 H 1 1.24906 0.002 . 1 . . . . . 444 ALA MB . 50919 1 200 . 1 . 1 219 219 ALA CB C 13 19.35828 0.01 . 1 . . . . . 444 ALA CB . 50919 1 201 . 1 . 1 221 221 ALA HB1 H 1 0.93328 0.002 . 1 . . . . . 446 ALA MB . 50919 1 202 . 1 . 1 221 221 ALA HB2 H 1 0.93328 0.002 . 1 . . . . . 446 ALA MB . 50919 1 203 . 1 . 1 221 221 ALA HB3 H 1 0.93328 0.002 . 1 . . . . . 446 ALA MB . 50919 1 204 . 1 . 1 221 221 ALA CB C 13 18.55926 0.01 . 1 . . . . . 446 ALA CB . 50919 1 205 . 1 . 1 223 223 ALA HB1 H 1 1.11633 0.002 . 1 . . . . . 448 ALA MB . 50919 1 206 . 1 . 1 223 223 ALA HB2 H 1 1.11633 0.002 . 1 . . . . . 448 ALA MB . 50919 1 207 . 1 . 1 223 223 ALA HB3 H 1 1.11633 0.002 . 1 . . . . . 448 ALA MB . 50919 1 208 . 1 . 1 223 223 ALA CB C 13 20.0065 0.01 . 1 . . . . . 448 ALA CB . 50919 1 209 . 1 . 1 224 224 ILE HD11 H 1 0.525 0.002 . 1 . . . . . 449 ILE MD . 50919 1 210 . 1 . 1 224 224 ILE HD12 H 1 0.525 0.002 . 1 . . . . . 449 ILE MD . 50919 1 211 . 1 . 1 224 224 ILE HD13 H 1 0.525 0.002 . 1 . . . . . 449 ILE MD . 50919 1 212 . 1 . 1 224 224 ILE CD1 C 13 13.84936 0.01 . 1 . . . . . 449 ILE CD1 . 50919 1 213 . 1 . 1 227 227 ALA HB1 H 1 2.04194 0.002 . 1 . . . . . 452 ALA MB . 50919 1 214 . 1 . 1 227 227 ALA HB2 H 1 2.04194 0.002 . 1 . . . . . 452 ALA MB . 50919 1 215 . 1 . 1 227 227 ALA HB3 H 1 2.04194 0.002 . 1 . . . . . 452 ALA MB . 50919 1 216 . 1 . 1 227 227 ALA CB C 13 20.05992 0.01 . 1 . . . . . 452 ALA CB . 50919 1 217 . 1 . 1 228 228 LEU HD21 H 1 0.95579 0.002 . 1 . . . . . 453 LEU MD2 . 50919 1 218 . 1 . 1 228 228 LEU HD22 H 1 0.95579 0.002 . 1 . . . . . 453 LEU MD2 . 50919 1 219 . 1 . 1 228 228 LEU HD23 H 1 0.95579 0.002 . 1 . . . . . 453 LEU MD2 . 50919 1 220 . 1 . 1 228 228 LEU CD2 C 13 23.35578 0.01 . 1 . . . . . 453 LEU CD2 . 50919 1 221 . 1 . 1 237 237 ALA HB1 H 1 1.46607 0.002 . 1 . . . . . 462 ALA MB . 50919 1 222 . 1 . 1 237 237 ALA HB2 H 1 1.46607 0.002 . 1 . . . . . 462 ALA MB . 50919 1 223 . 1 . 1 237 237 ALA HB3 H 1 1.46607 0.002 . 1 . . . . . 462 ALA MB . 50919 1 224 . 1 . 1 237 237 ALA CB C 13 18.13746 0.01 . 1 . . . . . 462 ALA CB . 50919 1 225 . 1 . 1 247 247 ALA HB1 H 1 0.7676 0.002 . 1 . . . . . 472 ALA MB . 50919 1 226 . 1 . 1 247 247 ALA HB2 H 1 0.7676 0.002 . 1 . . . . . 472 ALA MB . 50919 1 227 . 1 . 1 247 247 ALA HB3 H 1 0.7676 0.002 . 1 . . . . . 472 ALA MB . 50919 1 228 . 1 . 1 247 247 ALA CB C 13 21.56527 0.01 . 1 . . . . . 472 ALA CB . 50919 1 229 . 1 . 1 248 248 LEU HD21 H 1 -0.60822 0.002 . 1 . . . . . 473 LEU MD2 . 50919 1 230 . 1 . 1 248 248 LEU HD22 H 1 -0.60822 0.002 . 1 . . . . . 473 LEU MD2 . 50919 1 231 . 1 . 1 248 248 LEU HD23 H 1 -0.60822 0.002 . 1 . . . . . 473 LEU MD2 . 50919 1 232 . 1 . 1 248 248 LEU CD2 C 13 23.62493 0.01 . 1 . . . . . 473 LEU CD2 . 50919 1 233 . 1 . 1 249 249 LEU HD21 H 1 0.64743 0.002 . 1 . . . . . 474 LEU MD2 . 50919 1 234 . 1 . 1 249 249 LEU HD22 H 1 0.64743 0.002 . 1 . . . . . 474 LEU MD2 . 50919 1 235 . 1 . 1 249 249 LEU HD23 H 1 0.64743 0.002 . 1 . . . . . 474 LEU MD2 . 50919 1 236 . 1 . 1 249 249 LEU CD2 C 13 25.35191 0.01 . 1 . . . . . 474 LEU CD2 . 50919 1 237 . 1 . 1 250 250 LEU HD21 H 1 0.62712 0.002 . 1 . . . . . 475 LEU MD2 . 50919 1 238 . 1 . 1 250 250 LEU HD22 H 1 0.62712 0.002 . 1 . . . . . 475 LEU MD2 . 50919 1 239 . 1 . 1 250 250 LEU HD23 H 1 0.62712 0.002 . 1 . . . . . 475 LEU MD2 . 50919 1 240 . 1 . 1 250 250 LEU CD2 C 13 25.62377 0.01 . 1 . . . . . 475 LEU CD2 . 50919 1 241 . 1 . 1 266 266 LEU HD21 H 1 0.7924 0.002 . 1 . . . . . 491 LEU MD2 . 50919 1 242 . 1 . 1 266 266 LEU HD22 H 1 0.7924 0.002 . 1 . . . . . 491 LEU MD2 . 50919 1 243 . 1 . 1 266 266 LEU HD23 H 1 0.7924 0.002 . 1 . . . . . 491 LEU MD2 . 50919 1 244 . 1 . 1 266 266 LEU CD2 C 13 26.53638 0.01 . 1 . . . . . 491 LEU CD2 . 50919 1 245 . 1 . 1 272 272 ILE HD11 H 1 0.66019 0.002 . 1 . . . . . 497 ILE MD . 50919 1 246 . 1 . 1 272 272 ILE HD12 H 1 0.66019 0.002 . 1 . . . . . 497 ILE MD . 50919 1 247 . 1 . 1 272 272 ILE HD13 H 1 0.66019 0.002 . 1 . . . . . 497 ILE MD . 50919 1 248 . 1 . 1 272 272 ILE CD1 C 13 12.67508 0.01 . 1 . . . . . 497 ILE CD1 . 50919 1 249 . 1 . 1 274 274 LEU HD21 H 1 -0.18313 0.002 . 1 . . . . . 499 LEU MD2 . 50919 1 250 . 1 . 1 274 274 LEU HD22 H 1 -0.18313 0.002 . 1 . . . . . 499 LEU MD2 . 50919 1 251 . 1 . 1 274 274 LEU HD23 H 1 -0.18313 0.002 . 1 . . . . . 499 LEU MD2 . 50919 1 252 . 1 . 1 274 274 LEU CD2 C 13 26.87036 0.01 . 1 . . . . . 499 LEU CD2 . 50919 1 253 . 1 . 1 282 282 LEU HD21 H 1 0.57988 0.002 . 1 . . . . . 507 LEU MD2 . 50919 1 254 . 1 . 1 282 282 LEU HD22 H 1 0.57988 0.002 . 1 . . . . . 507 LEU MD2 . 50919 1 255 . 1 . 1 282 282 LEU HD23 H 1 0.57988 0.002 . 1 . . . . . 507 LEU MD2 . 50919 1 256 . 1 . 1 282 282 LEU CD2 C 13 26.7676 0.01 . 1 . . . . . 507 LEU CD2 . 50919 1 257 . 1 . 1 289 289 ILE HD11 H 1 0.63005 0.002 . 1 . . . . . 514 ILE MD . 50919 1 258 . 1 . 1 289 289 ILE HD12 H 1 0.63005 0.002 . 1 . . . . . 514 ILE MD . 50919 1 259 . 1 . 1 289 289 ILE HD13 H 1 0.63005 0.002 . 1 . . . . . 514 ILE MD . 50919 1 260 . 1 . 1 289 289 ILE CD1 C 13 12.62757 0.01 . 1 . . . . . 514 ILE CD1 . 50919 1 261 . 1 . 1 292 292 VAL HG21 H 1 0.6224 0.002 . 1 . . . . . 517 VAL MG2 . 50919 1 262 . 1 . 1 292 292 VAL HG22 H 1 0.6224 0.002 . 1 . . . . . 517 VAL MG2 . 50919 1 263 . 1 . 1 292 292 VAL HG23 H 1 0.6224 0.002 . 1 . . . . . 517 VAL MG2 . 50919 1 264 . 1 . 1 292 292 VAL CG2 C 13 21.88549 0.01 . 1 . . . . . 517 VAL CG2 . 50919 1 265 . 1 . 1 293 293 VAL HG21 H 1 0.77634 0.002 . 1 . . . . . 518 VAL MG2 . 50919 1 266 . 1 . 1 293 293 VAL HG22 H 1 0.77634 0.002 . 1 . . . . . 518 VAL MG2 . 50919 1 267 . 1 . 1 293 293 VAL HG23 H 1 0.77634 0.002 . 1 . . . . . 518 VAL MG2 . 50919 1 268 . 1 . 1 293 293 VAL CG2 C 13 20.70217 0.01 . 1 . . . . . 518 VAL CG2 . 50919 1 269 . 1 . 1 296 296 VAL HG21 H 1 0.29173 0.002 . 1 . . . . . 521 VAL MG2 . 50919 1 270 . 1 . 1 296 296 VAL HG22 H 1 0.29173 0.002 . 1 . . . . . 521 VAL MG2 . 50919 1 271 . 1 . 1 296 296 VAL HG23 H 1 0.29173 0.002 . 1 . . . . . 521 VAL MG2 . 50919 1 272 . 1 . 1 296 296 VAL CG2 C 13 17.14183 0.01 . 1 . . . . . 521 VAL CG2 . 50919 1 273 . 1 . 1 305 305 VAL HG21 H 1 1.19804 0.002 . 1 . . . . . 530 VAL MG2 . 50919 1 274 . 1 . 1 305 305 VAL HG22 H 1 1.19804 0.002 . 1 . . . . . 530 VAL MG2 . 50919 1 275 . 1 . 1 305 305 VAL HG23 H 1 1.19804 0.002 . 1 . . . . . 530 VAL MG2 . 50919 1 276 . 1 . 1 305 305 VAL CG2 C 13 21.39881 0.01 . 1 . . . . . 530 VAL CG2 . 50919 1 stop_ save_ ################################### # 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_2 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_2 _Assigned_chem_shift_list.Entry_ID 50919 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Name 'PD without satturating amounts of La3+' _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-13C HMQC' . . . 50919 2 2 '4D 1H-13C HMQC-NOESY-HMQC' . . . 50919 2 3 '2D 1H-13C HMQC' . . . 50919 2 4 '2D 1H-13C HMQC' . . . 50919 2 5 '2D 1H-13C HMQC' . . . 50919 2 6 '2D 1H-13C HMQC' . . . 50919 2 7 '2D 1H-13C HMQC' . . . 50919 2 8 '2D 1H-13C HMQC' . . . 50919 2 9 '2D 1H-13C HMQC' . . . 50919 2 10 '2D 1H-13C HMQC' . . . 50919 2 11 '2D 1H-13C HMQC' . . . 50919 2 12 '2D 1H-13C HMQC' . . . 50919 2 13 '2D 1H-13C HMQC' . . . 50919 2 14 '2D 1H-13C HMQC' . . . 50919 2 15 '2D 1H-13C HMQC' . . . 50919 2 16 '2D 1H-13C HMQC' . . . 50919 2 17 '2D 1H-13C HMQC' . . . 50919 2 18 '2D 1H-13C HMQC' . . . 50919 2 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 1 $software_1 . . 50919 2 2 $software_2 . . 50919 2 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 4 4 MET HE1 H 1 1.59395 0.002 . 1 . . . . . 229 MET ME . 50919 2 2 . 1 . 1 4 4 MET HE2 H 1 1.59395 0.002 . 1 . . . . . 229 MET ME . 50919 2 3 . 1 . 1 4 4 MET HE3 H 1 1.59395 0.002 . 1 . . . . . 229 MET ME . 50919 2 4 . 1 . 1 4 4 MET CE C 13 16.93945 0.01 . 1 . . . . . 229 MET CE . 50919 2 5 . 1 . 1 5 5 VAL HG21 H 1 0.69434 0.002 . 1 . . . . . 230 VAL MG2 . 50919 2 6 . 1 . 1 5 5 VAL HG22 H 1 0.69434 0.002 . 1 . . . . . 230 VAL MG2 . 50919 2 7 . 1 . 1 5 5 VAL HG23 H 1 0.69434 0.002 . 1 . . . . . 230 VAL MG2 . 50919 2 8 . 1 . 1 5 5 VAL CG2 C 13 22.17271 0.01 . 1 . . . . . 230 VAL CG2 . 50919 2 9 . 1 . 1 7 7 LEU HD21 H 1 0.2845 0.002 . 1 . . . . . 232 LEU MD2 . 50919 2 10 . 1 . 1 7 7 LEU HD22 H 1 0.2845 0.002 . 1 . . . . . 232 LEU MD2 . 50919 2 11 . 1 . 1 7 7 LEU HD23 H 1 0.2845 0.002 . 1 . . . . . 232 LEU MD2 . 50919 2 12 . 1 . 1 7 7 LEU CD2 C 13 22.49378 0.01 . 1 . . . . . 232 LEU CD2 . 50919 2 13 . 1 . 1 9 9 VAL HG21 H 1 0.8413 0.002 . 1 . . . . . 234 VAL MG2 . 50919 2 14 . 1 . 1 9 9 VAL HG22 H 1 0.8413 0.002 . 1 . . . . . 234 VAL MG2 . 50919 2 15 . 1 . 1 9 9 VAL HG23 H 1 0.8413 0.002 . 1 . . . . . 234 VAL MG2 . 50919 2 16 . 1 . 1 9 9 VAL CG2 C 13 20.287 0.01 . 1 . . . . . 234 VAL CG2 . 50919 2 17 . 1 . 1 10 10 ILE HD11 H 1 0.58187 0.002 . 1 . . . . . 235 ILE MD . 50919 2 18 . 1 . 1 10 10 ILE HD12 H 1 0.58187 0.002 . 1 . . . . . 235 ILE MD . 50919 2 19 . 1 . 1 10 10 ILE HD13 H 1 0.58187 0.002 . 1 . . . . . 235 ILE MD . 50919 2 20 . 1 . 1 10 10 ILE CD1 C 13 13.71879 0.01 . 1 . . . . . 235 ILE CD1 . 50919 2 21 . 1 . 1 27 27 LEU HD21 H 1 0.49912 0.002 . 1 . . . . . 252 LEU MD2 . 50919 2 22 . 1 . 1 27 27 LEU HD22 H 1 0.49912 0.002 . 1 . . . . . 252 LEU MD2 . 50919 2 23 . 1 . 1 27 27 LEU HD23 H 1 0.49912 0.002 . 1 . . . . . 252 LEU MD2 . 50919 2 24 . 1 . 1 27 27 LEU CD2 C 13 26.08915 0.01 . 1 . . . . . 252 LEU CD2 . 50919 2 25 . 1 . 1 29 29 VAL HG21 H 1 0.38145 0.002 . 1 . . . . . 254 VAL MG2 . 50919 2 26 . 1 . 1 29 29 VAL HG22 H 1 0.38145 0.002 . 1 . . . . . 254 VAL MG2 . 50919 2 27 . 1 . 1 29 29 VAL HG23 H 1 0.38145 0.002 . 1 . . . . . 254 VAL MG2 . 50919 2 28 . 1 . 1 29 29 VAL CG2 C 13 19.16748 0.01 . 1 . . . . . 254 VAL CG2 . 50919 2 29 . 1 . 1 44 44 VAL HG21 H 1 1.34739 0.002 . 1 . . . . . 269 VAL MG2 . 50919 2 30 . 1 . 1 44 44 VAL HG22 H 1 1.34739 0.002 . 1 . . . . . 269 VAL MG2 . 50919 2 31 . 1 . 1 44 44 VAL HG23 H 1 1.34739 0.002 . 1 . . . . . 269 VAL MG2 . 50919 2 32 . 1 . 1 44 44 VAL CG2 C 13 20.71399 0.01 . 1 . . . . . 269 VAL CG2 . 50919 2 33 . 1 . 1 46 46 VAL HG21 H 1 0.64892 0.002 . 1 . . . . . 271 VAL MG2 . 50919 2 34 . 1 . 1 46 46 VAL HG22 H 1 0.64892 0.002 . 1 . . . . . 271 VAL MG2 . 50919 2 35 . 1 . 1 46 46 VAL HG23 H 1 0.64892 0.002 . 1 . . . . . 271 VAL MG2 . 50919 2 36 . 1 . 1 46 46 VAL CG2 C 13 23.15501 0.01 . 1 . . . . . 271 VAL CG2 . 50919 2 37 . 1 . 1 50 50 LEU HD21 H 1 0.69838 0.002 . 1 . . . . . 275 LEU MD2 . 50919 2 38 . 1 . 1 50 50 LEU HD22 H 1 0.69838 0.002 . 1 . . . . . 275 LEU MD2 . 50919 2 39 . 1 . 1 50 50 LEU HD23 H 1 0.69838 0.002 . 1 . . . . . 275 LEU MD2 . 50919 2 40 . 1 . 1 50 50 LEU CD2 C 13 23.61784 0.01 . 1 . . . . . 275 LEU CD2 . 50919 2 41 . 1 . 1 56 56 ILE HD11 H 1 0.68942 0.002 . 1 . . . . . 281 ILE MD . 50919 2 42 . 1 . 1 56 56 ILE HD12 H 1 0.68942 0.002 . 1 . . . . . 281 ILE MD . 50919 2 43 . 1 . 1 56 56 ILE HD13 H 1 0.68942 0.002 . 1 . . . . . 281 ILE MD . 50919 2 44 . 1 . 1 56 56 ILE CD1 C 13 11.893 0.01 . 1 . . . . . 281 ILE CD1 . 50919 2 45 . 1 . 1 66 66 ALA HB1 H 1 1.27709 0.002 . 1 . . . . . 291 ALA MB . 50919 2 46 . 1 . 1 66 66 ALA HB2 H 1 1.27709 0.002 . 1 . . . . . 291 ALA MB . 50919 2 47 . 1 . 1 66 66 ALA HB3 H 1 1.27709 0.002 . 1 . . . . . 291 ALA MB . 50919 2 48 . 1 . 1 66 66 ALA CB C 13 24.47212 0.01 . 1 . . . . . 291 ALA CB . 50919 2 49 . 1 . 1 68 68 ALA HB1 H 1 1.07752 0.002 . 1 . . . . . 293 ALA MB . 50919 2 50 . 1 . 1 68 68 ALA HB2 H 1 1.07752 0.002 . 1 . . . . . 293 ALA MB . 50919 2 51 . 1 . 1 68 68 ALA HB3 H 1 1.07752 0.002 . 1 . . . . . 293 ALA MB . 50919 2 52 . 1 . 1 68 68 ALA CB C 13 24.1714 0.01 . 1 . . . . . 293 ALA CB . 50919 2 53 . 1 . 1 69 69 ALA HB1 H 1 1.18975 0.002 . 1 . . . . . 294 ALA MB . 50919 2 54 . 1 . 1 69 69 ALA HB2 H 1 1.18975 0.002 . 1 . . . . . 294 ALA MB . 50919 2 55 . 1 . 1 69 69 ALA HB3 H 1 1.18975 0.002 . 1 . . . . . 294 ALA MB . 50919 2 56 . 1 . 1 69 69 ALA CB C 13 21.1731 0.01 . 1 . . . . . 294 ALA CB . 50919 2 57 . 1 . 1 79 79 VAL HG21 H 1 0.84937 0.002 . 1 . . . . . 304 VAL MG2 . 50919 2 58 . 1 . 1 79 79 VAL HG22 H 1 0.84937 0.002 . 1 . . . . . 304 VAL MG2 . 50919 2 59 . 1 . 1 79 79 VAL HG23 H 1 0.84937 0.002 . 1 . . . . . 304 VAL MG2 . 50919 2 60 . 1 . 1 79 79 VAL CG2 C 13 20.55994 0.01 . 1 . . . . . 304 VAL CG2 . 50919 2 61 . 1 . 1 80 80 ALA HB1 H 1 0.08426 0.002 . 1 . . . . . 305 ALA MB . 50919 2 62 . 1 . 1 80 80 ALA HB2 H 1 0.08426 0.002 . 1 . . . . . 305 ALA MB . 50919 2 63 . 1 . 1 80 80 ALA HB3 H 1 0.08426 0.002 . 1 . . . . . 305 ALA MB . 50919 2 64 . 1 . 1 80 80 ALA CB C 13 22.73193 0.01 . 1 . . . . . 305 ALA CB . 50919 2 65 . 1 . 1 84 84 LEU HD21 H 1 0.52484 0.002 . 1 . . . . . 309 LEU MD2 . 50919 2 66 . 1 . 1 84 84 LEU HD22 H 1 0.52484 0.002 . 1 . . . . . 309 LEU MD2 . 50919 2 67 . 1 . 1 84 84 LEU HD23 H 1 0.52484 0.002 . 1 . . . . . 309 LEU MD2 . 50919 2 68 . 1 . 1 84 84 LEU CD2 C 13 23.05203 0.01 . 1 . . . . . 309 LEU CD2 . 50919 2 69 . 1 . 1 85 85 ILE HD11 H 1 0.81528 0.002 . 1 . . . . . 310 ILE MD . 50919 2 70 . 1 . 1 85 85 ILE HD12 H 1 0.81528 0.002 . 1 . . . . . 310 ILE MD . 50919 2 71 . 1 . 1 85 85 ILE HD13 H 1 0.81528 0.002 . 1 . . . . . 310 ILE MD . 50919 2 72 . 1 . 1 85 85 ILE CD1 C 13 14.18122 0.01 . 1 . . . . . 310 ILE CD1 . 50919 2 73 . 1 . 1 98 98 ALA HB1 H 1 0.21434 0.002 . 1 . . . . . 323 ALA MB . 50919 2 74 . 1 . 1 98 98 ALA HB2 H 1 0.21434 0.002 . 1 . . . . . 323 ALA MB . 50919 2 75 . 1 . 1 98 98 ALA HB3 H 1 0.21434 0.002 . 1 . . . . . 323 ALA MB . 50919 2 76 . 1 . 1 98 98 ALA CB C 13 18.10341 0.01 . 1 . . . . . 323 ALA CB . 50919 2 77 . 1 . 1 99 99 ALA HB1 H 1 1.18601 0.002 . 1 . . . . . 324 ALA MB . 50919 2 78 . 1 . 1 99 99 ALA HB2 H 1 1.18601 0.002 . 1 . . . . . 324 ALA MB . 50919 2 79 . 1 . 1 99 99 ALA HB3 H 1 1.18601 0.002 . 1 . . . . . 324 ALA MB . 50919 2 80 . 1 . 1 99 99 ALA CB C 13 19.51115 0.01 . 1 . . . . . 324 ALA CB . 50919 2 81 . 1 . 1 110 110 LEU HD21 H 1 1.03375 0.002 . 1 . . . . . 335 LEU MD2 . 50919 2 82 . 1 . 1 110 110 LEU HD22 H 1 1.03375 0.002 . 1 . . . . . 335 LEU MD2 . 50919 2 83 . 1 . 1 110 110 LEU HD23 H 1 1.03375 0.002 . 1 . . . . . 335 LEU MD2 . 50919 2 84 . 1 . 1 110 110 LEU CD2 C 13 26.16063 0.01 . 1 . . . . . 335 LEU CD2 . 50919 2 85 . 1 . 1 112 112 ILE HD11 H 1 0.78819 0.002 . 1 . . . . . 337 ILE MD . 50919 2 86 . 1 . 1 112 112 ILE HD12 H 1 0.78819 0.002 . 1 . . . . . 337 ILE MD . 50919 2 87 . 1 . 1 112 112 ILE HD13 H 1 0.78819 0.002 . 1 . . . . . 337 ILE MD . 50919 2 88 . 1 . 1 112 112 ILE CD1 C 13 14.46184 0.01 . 1 . . . . . 337 ILE CD1 . 50919 2 89 . 1 . 1 114 114 VAL HG21 H 1 0.78819 0.002 . 1 . . . . . 339 VAL MG2 . 50919 2 90 . 1 . 1 114 114 VAL HG22 H 1 0.78819 0.002 . 1 . . . . . 339 VAL MG2 . 50919 2 91 . 1 . 1 114 114 VAL HG23 H 1 0.78819 0.002 . 1 . . . . . 339 VAL MG2 . 50919 2 92 . 1 . 1 114 114 VAL CG2 C 13 19.47886 0.01 . 1 . . . . . 339 VAL CG2 . 50919 2 93 . 1 . 1 127 127 VAL HG21 H 1 0.73507 0.002 . 1 . . . . . 352 VAL MG2 . 50919 2 94 . 1 . 1 127 127 VAL HG22 H 1 0.73507 0.002 . 1 . . . . . 352 VAL MG2 . 50919 2 95 . 1 . 1 127 127 VAL HG23 H 1 0.73507 0.002 . 1 . . . . . 352 VAL MG2 . 50919 2 96 . 1 . 1 127 127 VAL CG2 C 13 18.98557 0.01 . 1 . . . . . 352 VAL CG2 . 50919 2 97 . 1 . 1 132 132 MET HE1 H 1 1.96380 0.002 . 1 . . . . . 357 MET ME . 50919 2 98 . 1 . 1 132 132 MET HE2 H 1 1.96380 0.002 . 1 . . . . . 357 MET ME . 50919 2 99 . 1 . 1 132 132 MET HE3 H 1 1.96380 0.002 . 1 . . . . . 357 MET ME . 50919 2 100 . 1 . 1 132 132 MET CE C 13 17.92960 0.01 . 1 . . . . . 357 MET CE . 50919 2 101 . 1 . 1 133 133 ILE HD11 H 1 0.96144 0.002 . 1 . . . . . 358 ILE MD . 50919 2 102 . 1 . 1 133 133 ILE HD12 H 1 0.96144 0.002 . 1 . . . . . 358 ILE MD . 50919 2 103 . 1 . 1 133 133 ILE HD13 H 1 0.96144 0.002 . 1 . . . . . 358 ILE MD . 50919 2 104 . 1 . 1 133 133 ILE CD1 C 13 12.87314 0.01 . 1 . . . . . 358 ILE CD1 . 50919 2 105 . 1 . 1 134 134 LEU HD21 H 1 0.77491 0.002 . 1 . . . . . 359 LEU MD2 . 50919 2 106 . 1 . 1 134 134 LEU HD22 H 1 0.77491 0.002 . 1 . . . . . 359 LEU MD2 . 50919 2 107 . 1 . 1 134 134 LEU HD23 H 1 0.77491 0.002 . 1 . . . . . 359 LEU MD2 . 50919 2 108 . 1 . 1 134 134 LEU CD2 C 13 22.16353 0.01 . 1 . . . . . 359 LEU CD2 . 50919 2 109 . 1 . 1 140 140 ALA HB1 H 1 1.19968 0.002 . 1 . . . . . 365 ALA MB . 50919 2 110 . 1 . 1 140 140 ALA HB2 H 1 1.19968 0.002 . 1 . . . . . 365 ALA MB . 50919 2 111 . 1 . 1 140 140 ALA HB3 H 1 1.19968 0.002 . 1 . . . . . 365 ALA MB . 50919 2 112 . 1 . 1 140 140 ALA CB C 13 19.20689 0.01 . 1 . . . . . 365 ALA CB . 50919 2 113 . 1 . 1 149 149 VAL HG21 H 1 0.49447 0.002 . 1 . . . . . 374 VAL MG2 . 50919 2 114 . 1 . 1 149 149 VAL HG22 H 1 0.49447 0.002 . 1 . . . . . 374 VAL MG2 . 50919 2 115 . 1 . 1 149 149 VAL HG23 H 1 0.49447 0.002 . 1 . . . . . 374 VAL MG2 . 50919 2 116 . 1 . 1 149 149 VAL CG2 C 13 20.02797 0.01 . 1 . . . . . 374 VAL CG2 . 50919 2 117 . 1 . 1 151 151 ALA HB1 H 1 1.55124 0.002 . 1 . . . . . 376 ALA MB . 50919 2 118 . 1 . 1 151 151 ALA HB2 H 1 1.55124 0.002 . 1 . . . . . 376 ALA MB . 50919 2 119 . 1 . 1 151 151 ALA HB3 H 1 1.55124 0.002 . 1 . . . . . 376 ALA MB . 50919 2 120 . 1 . 1 151 151 ALA CB C 13 25.00053 0.01 . 1 . . . . . 376 ALA CB . 50919 2 121 . 1 . 1 153 153 VAL HG21 H 1 0.95203 0.002 . 1 . . . . . 378 VAL MG2 . 50919 2 122 . 1 . 1 153 153 VAL HG22 H 1 0.95203 0.002 . 1 . . . . . 378 VAL MG2 . 50919 2 123 . 1 . 1 153 153 VAL HG23 H 1 0.95203 0.002 . 1 . . . . . 378 VAL MG2 . 50919 2 124 . 1 . 1 153 153 VAL CG2 C 13 21.20101 0.01 . 1 . . . . . 378 VAL CG2 . 50919 2 125 . 1 . 1 155 155 ALA HB1 H 1 1.59839 0.002 . 1 . . . . . 380 ALA MB . 50919 2 126 . 1 . 1 155 155 ALA HB2 H 1 1.59839 0.002 . 1 . . . . . 380 ALA MB . 50919 2 127 . 1 . 1 155 155 ALA HB3 H 1 1.59839 0.002 . 1 . . . . . 380 ALA MB . 50919 2 128 . 1 . 1 155 155 ALA CB C 13 21.50516 0.01 . 1 . . . . . 380 ALA CB . 50919 2 129 . 1 . 1 156 156 ALA HB1 H 1 1.42842 0.002 . 1 . . . . . 381 ALA MB . 50919 2 130 . 1 . 1 156 156 ALA HB2 H 1 1.42842 0.002 . 1 . . . . . 381 ALA MB . 50919 2 131 . 1 . 1 156 156 ALA HB3 H 1 1.42842 0.002 . 1 . . . . . 381 ALA MB . 50919 2 132 . 1 . 1 156 156 ALA CB C 13 19.09039 0.01 . 1 . . . . . 381 ALA CB . 50919 2 133 . 1 . 1 157 157 ALA HB1 H 1 1.07218 0.002 . 1 . . . . . 382 ALA MB . 50919 2 134 . 1 . 1 157 157 ALA HB2 H 1 1.07218 0.002 . 1 . . . . . 382 ALA MB . 50919 2 135 . 1 . 1 157 157 ALA HB3 H 1 1.07218 0.002 . 1 . . . . . 382 ALA MB . 50919 2 136 . 1 . 1 157 157 ALA CB C 13 21.38093 0.01 . 1 . . . . . 382 ALA CB . 50919 2 137 . 1 . 1 159 159 LEU HD21 H 1 0.79908 0.002 . 1 . . . . . 384 LEU MD2 . 50919 2 138 . 1 . 1 159 159 LEU HD22 H 1 0.79908 0.002 . 1 . . . . . 384 LEU MD2 . 50919 2 139 . 1 . 1 159 159 LEU HD23 H 1 0.79908 0.002 . 1 . . . . . 384 LEU MD2 . 50919 2 140 . 1 . 1 159 159 LEU CD2 C 13 22.27045 0.01 . 1 . . . . . 384 LEU CD2 . 50919 2 141 . 1 . 1 162 162 VAL HG21 H 1 0.79688 0.002 . 1 . . . . . 387 VAL MG2 . 50919 2 142 . 1 . 1 162 162 VAL HG22 H 1 0.79688 0.002 . 1 . . . . . 387 VAL MG2 . 50919 2 143 . 1 . 1 162 162 VAL HG23 H 1 0.79688 0.002 . 1 . . . . . 387 VAL MG2 . 50919 2 144 . 1 . 1 162 162 VAL CG2 C 13 21.7043 0.01 . 1 . . . . . 387 VAL CG2 . 50919 2 145 . 1 . 1 166 166 VAL HG21 H 1 0.6346 0.002 . 1 . . . . . 391 VAL MG2 . 50919 2 146 . 1 . 1 166 166 VAL HG22 H 1 0.6346 0.002 . 1 . . . . . 391 VAL MG2 . 50919 2 147 . 1 . 1 166 166 VAL HG23 H 1 0.6346 0.002 . 1 . . . . . 391 VAL MG2 . 50919 2 148 . 1 . 1 166 166 VAL CG2 C 13 18.78585 0.01 . 1 . . . . . 391 VAL CG2 . 50919 2 149 . 1 . 1 168 168 ALA HB1 H 1 -0.46386 0.002 . 1 . . . . . 393 ALA MB . 50919 2 150 . 1 . 1 168 168 ALA HB2 H 1 -0.46386 0.002 . 1 . . . . . 393 ALA MB . 50919 2 151 . 1 . 1 168 168 ALA HB3 H 1 -0.46386 0.002 . 1 . . . . . 393 ALA MB . 50919 2 152 . 1 . 1 168 168 ALA CB C 13 19.84651 0.01 . 1 . . . . . 393 ALA CB . 50919 2 153 . 1 . 1 173 173 ILE HD11 H 1 1.27991 0.002 . 1 . . . . . 398 ILE MD . 50919 2 154 . 1 . 1 173 173 ILE HD12 H 1 1.27991 0.002 . 1 . . . . . 398 ILE MD . 50919 2 155 . 1 . 1 173 173 ILE HD13 H 1 1.27991 0.002 . 1 . . . . . 398 ILE MD . 50919 2 156 . 1 . 1 173 173 ILE CD1 C 13 14.66397 0.01 . 1 . . . . . 398 ILE CD1 . 50919 2 157 . 1 . 1 180 180 ILE HD11 H 1 1.12051 0.002 . 1 . . . . . 405 ILE MD . 50919 2 158 . 1 . 1 180 180 ILE HD12 H 1 1.12051 0.002 . 1 . . . . . 405 ILE MD . 50919 2 159 . 1 . 1 180 180 ILE HD13 H 1 1.12051 0.002 . 1 . . . . . 405 ILE MD . 50919 2 160 . 1 . 1 180 180 ILE CD1 C 13 14.66178 0.01 . 1 . . . . . 405 ILE CD1 . 50919 2 161 . 1 . 1 189 189 VAL HG21 H 1 0.54715 0.002 . 1 . . . . . 414 VAL MG2 . 50919 2 162 . 1 . 1 189 189 VAL HG22 H 1 0.54715 0.002 . 1 . . . . . 414 VAL MG2 . 50919 2 163 . 1 . 1 189 189 VAL HG23 H 1 0.54715 0.002 . 1 . . . . . 414 VAL MG2 . 50919 2 164 . 1 . 1 189 189 VAL CG2 C 13 18.94585 0.01 . 1 . . . . . 414 VAL CG2 . 50919 2 165 . 1 . 1 191 191 LEU HD21 H 1 0.805 0.002 . 1 . . . . . 416 LEU MD2 . 50919 2 166 . 1 . 1 191 191 LEU HD22 H 1 0.805 0.002 . 1 . . . . . 416 LEU MD2 . 50919 2 167 . 1 . 1 191 191 LEU HD23 H 1 0.805 0.002 . 1 . . . . . 416 LEU MD2 . 50919 2 168 . 1 . 1 191 191 LEU CD2 C 13 23.53425 0.01 . 1 . . . . . 416 LEU CD2 . 50919 2 169 . 1 . 1 195 195 ILE HD11 H 1 0.83048 0.002 . 1 . . . . . 420 ILE MD . 50919 2 170 . 1 . 1 195 195 ILE HD12 H 1 0.83048 0.002 . 1 . . . . . 420 ILE MD . 50919 2 171 . 1 . 1 195 195 ILE HD13 H 1 0.83048 0.002 . 1 . . . . . 420 ILE MD . 50919 2 172 . 1 . 1 195 195 ILE CD1 C 13 14.13943 0.01 . 1 . . . . . 420 ILE CD1 . 50919 2 173 . 1 . 1 203 203 VAL HG21 H 1 0.97988 0.002 . 1 . . . . . 428 VAL MG2 . 50919 2 174 . 1 . 1 203 203 VAL HG22 H 1 0.97988 0.002 . 1 . . . . . 428 VAL MG2 . 50919 2 175 . 1 . 1 203 203 VAL HG23 H 1 0.97988 0.002 . 1 . . . . . 428 VAL MG2 . 50919 2 176 . 1 . 1 203 203 VAL CG2 C 13 20.75791 0.01 . 1 . . . . . 428 VAL CG2 . 50919 2 177 . 1 . 1 204 204 LEU HD21 H 1 0.8342 0.002 . 1 . . . . . 429 LEU MD2 . 50919 2 178 . 1 . 1 204 204 LEU HD22 H 1 0.8342 0.002 . 1 . . . . . 429 LEU MD2 . 50919 2 179 . 1 . 1 204 204 LEU HD23 H 1 0.8342 0.002 . 1 . . . . . 429 LEU MD2 . 50919 2 180 . 1 . 1 204 204 LEU CD2 C 13 26.67454 0.01 . 1 . . . . . 429 LEU CD2 . 50919 2 181 . 1 . 1 205 205 LEU HD21 H 1 0.81877 0.002 . 1 . . . . . 430 LEU MD2 . 50919 2 182 . 1 . 1 205 205 LEU HD22 H 1 0.81877 0.002 . 1 . . . . . 430 LEU MD2 . 50919 2 183 . 1 . 1 205 205 LEU HD23 H 1 0.81877 0.002 . 1 . . . . . 430 LEU MD2 . 50919 2 184 . 1 . 1 205 205 LEU CD2 C 13 26.97643 0.01 . 1 . . . . . 430 LEU CD2 . 50919 2 185 . 1 . 1 211 211 MET HE1 H 1 -0.14694 0.002 . 1 . . . . . 436 MET ME . 50919 2 186 . 1 . 1 211 211 MET HE2 H 1 -0.14694 0.002 . 1 . . . . . 436 MET ME . 50919 2 187 . 1 . 1 211 211 MET HE3 H 1 -0.14694 0.002 . 1 . . . . . 436 MET ME . 50919 2 188 . 1 . 1 211 211 MET CE C 13 16.27903 0.01 . 1 . . . . . 436 MET CE . 50919 2 189 . 1 . 1 214 214 ILE HD11 H 1 0.82765 0.002 . 1 . . . . . 439 ILE MD . 50919 2 190 . 1 . 1 214 214 ILE HD12 H 1 0.82765 0.002 . 1 . . . . . 439 ILE MD . 50919 2 191 . 1 . 1 214 214 ILE HD13 H 1 0.82765 0.002 . 1 . . . . . 439 ILE MD . 50919 2 192 . 1 . 1 214 214 ILE CD1 C 13 12.72562 0.01 . 1 . . . . . 439 ILE CD1 . 50919 2 193 . 1 . 1 217 217 ALA HB1 H 1 1.42231 0.002 . 1 . . . . . 442 ALA MB . 50919 2 194 . 1 . 1 217 217 ALA HB2 H 1 1.42231 0.002 . 1 . . . . . 442 ALA MB . 50919 2 195 . 1 . 1 217 217 ALA HB3 H 1 1.42231 0.002 . 1 . . . . . 442 ALA MB . 50919 2 196 . 1 . 1 217 217 ALA CB C 13 22.55388 0.01 . 1 . . . . . 442 ALA CB . 50919 2 197 . 1 . 1 219 219 ALA HB1 H 1 1.24906 0.002 . 1 . . . . . 444 ALA MB . 50919 2 198 . 1 . 1 219 219 ALA HB2 H 1 1.24906 0.002 . 1 . . . . . 444 ALA MB . 50919 2 199 . 1 . 1 219 219 ALA HB3 H 1 1.24906 0.002 . 1 . . . . . 444 ALA MB . 50919 2 200 . 1 . 1 219 219 ALA CB C 13 19.35828 0.01 . 1 . . . . . 444 ALA CB . 50919 2 201 . 1 . 1 221 221 ALA HB1 H 1 0.93328 0.002 . 1 . . . . . 446 ALA MB . 50919 2 202 . 1 . 1 221 221 ALA HB2 H 1 0.93328 0.002 . 1 . . . . . 446 ALA MB . 50919 2 203 . 1 . 1 221 221 ALA HB3 H 1 0.93328 0.002 . 1 . . . . . 446 ALA MB . 50919 2 204 . 1 . 1 221 221 ALA CB C 13 18.55926 0.01 . 1 . . . . . 446 ALA CB . 50919 2 205 . 1 . 1 223 223 ALA HB1 H 1 1.11633 0.002 . 1 . . . . . 448 ALA MB . 50919 2 206 . 1 . 1 223 223 ALA HB2 H 1 1.11633 0.002 . 1 . . . . . 448 ALA MB . 50919 2 207 . 1 . 1 223 223 ALA HB3 H 1 1.11633 0.002 . 1 . . . . . 448 ALA MB . 50919 2 208 . 1 . 1 223 223 ALA CB C 13 20.0065 0.01 . 1 . . . . . 448 ALA CB . 50919 2 209 . 1 . 1 224 224 ILE HD11 H 1 0.54561 0.002 . 1 . . . . . 449 ILE MD . 50919 2 210 . 1 . 1 224 224 ILE HD12 H 1 0.54561 0.002 . 1 . . . . . 449 ILE MD . 50919 2 211 . 1 . 1 224 224 ILE HD13 H 1 0.54561 0.002 . 1 . . . . . 449 ILE MD . 50919 2 212 . 1 . 1 224 224 ILE CD1 C 13 13.80513 0.01 . 1 . . . . . 449 ILE CD1 . 50919 2 213 . 1 . 1 227 227 ALA HB1 H 1 2.04194 0.002 . 1 . . . . . 452 ALA MB . 50919 2 214 . 1 . 1 227 227 ALA HB2 H 1 2.04194 0.002 . 1 . . . . . 452 ALA MB . 50919 2 215 . 1 . 1 227 227 ALA HB3 H 1 2.04194 0.002 . 1 . . . . . 452 ALA MB . 50919 2 216 . 1 . 1 227 227 ALA CB C 13 20.05992 0.01 . 1 . . . . . 452 ALA CB . 50919 2 217 . 1 . 1 228 228 LEU HD21 H 1 0.95579 0.002 . 1 . . . . . 453 LEU MD2 . 50919 2 218 . 1 . 1 228 228 LEU HD22 H 1 0.95579 0.002 . 1 . . . . . 453 LEU MD2 . 50919 2 219 . 1 . 1 228 228 LEU HD23 H 1 0.95579 0.002 . 1 . . . . . 453 LEU MD2 . 50919 2 220 . 1 . 1 228 228 LEU CD2 C 13 23.35578 0.01 . 1 . . . . . 453 LEU CD2 . 50919 2 221 . 1 . 1 237 237 ALA HB1 H 1 1.46607 0.002 . 1 . . . . . 462 ALA MB . 50919 2 222 . 1 . 1 237 237 ALA HB2 H 1 1.46607 0.002 . 1 . . . . . 462 ALA MB . 50919 2 223 . 1 . 1 237 237 ALA HB3 H 1 1.46607 0.002 . 1 . . . . . 462 ALA MB . 50919 2 224 . 1 . 1 237 237 ALA CB C 13 18.13746 0.01 . 1 . . . . . 462 ALA CB . 50919 2 225 . 1 . 1 247 247 ALA HB1 H 1 0.7676 0.002 . 1 . . . . . 472 ALA MB . 50919 2 226 . 1 . 1 247 247 ALA HB2 H 1 0.7676 0.002 . 1 . . . . . 472 ALA MB . 50919 2 227 . 1 . 1 247 247 ALA HB3 H 1 0.7676 0.002 . 1 . . . . . 472 ALA MB . 50919 2 228 . 1 . 1 247 247 ALA CB C 13 21.56527 0.01 . 1 . . . . . 472 ALA CB . 50919 2 229 . 1 . 1 248 248 LEU HD21 H 1 -0.60822 0.002 . 1 . . . . . 473 LEU MD2 . 50919 2 230 . 1 . 1 248 248 LEU HD22 H 1 -0.60822 0.002 . 1 . . . . . 473 LEU MD2 . 50919 2 231 . 1 . 1 248 248 LEU HD23 H 1 -0.60822 0.002 . 1 . . . . . 473 LEU MD2 . 50919 2 232 . 1 . 1 248 248 LEU CD2 C 13 23.62493 0.01 . 1 . . . . . 473 LEU CD2 . 50919 2 233 . 1 . 1 249 249 LEU HD21 H 1 0.64743 0.002 . 1 . . . . . 474 LEU MD2 . 50919 2 234 . 1 . 1 249 249 LEU HD22 H 1 0.64743 0.002 . 1 . . . . . 474 LEU MD2 . 50919 2 235 . 1 . 1 249 249 LEU HD23 H 1 0.64743 0.002 . 1 . . . . . 474 LEU MD2 . 50919 2 236 . 1 . 1 249 249 LEU CD2 C 13 25.35191 0.01 . 1 . . . . . 474 LEU CD2 . 50919 2 237 . 1 . 1 250 250 LEU HD21 H 1 0.62712 0.002 . 1 . . . . . 475 LEU MD2 . 50919 2 238 . 1 . 1 250 250 LEU HD22 H 1 0.62712 0.002 . 1 . . . . . 475 LEU MD2 . 50919 2 239 . 1 . 1 250 250 LEU HD23 H 1 0.62712 0.002 . 1 . . . . . 475 LEU MD2 . 50919 2 240 . 1 . 1 250 250 LEU CD2 C 13 25.62377 0.01 . 1 . . . . . 475 LEU CD2 . 50919 2 241 . 1 . 1 266 266 LEU HD21 H 1 0.7924 0.002 . 1 . . . . . 491 LEU MD2 . 50919 2 242 . 1 . 1 266 266 LEU HD22 H 1 0.7924 0.002 . 1 . . . . . 491 LEU MD2 . 50919 2 243 . 1 . 1 266 266 LEU HD23 H 1 0.7924 0.002 . 1 . . . . . 491 LEU MD2 . 50919 2 244 . 1 . 1 266 266 LEU CD2 C 13 26.53638 0.01 . 1 . . . . . 491 LEU CD2 . 50919 2 245 . 1 . 1 272 272 ILE HD11 H 1 0.66019 0.002 . 1 . . . . . 497 ILE MD . 50919 2 246 . 1 . 1 272 272 ILE HD12 H 1 0.66019 0.002 . 1 . . . . . 497 ILE MD . 50919 2 247 . 1 . 1 272 272 ILE HD13 H 1 0.66019 0.002 . 1 . . . . . 497 ILE MD . 50919 2 248 . 1 . 1 272 272 ILE CD1 C 13 12.67508 0.01 . 1 . . . . . 497 ILE CD1 . 50919 2 249 . 1 . 1 274 274 LEU HD21 H 1 -0.18313 0.002 . 1 . . . . . 499 LEU MD2 . 50919 2 250 . 1 . 1 274 274 LEU HD22 H 1 -0.18313 0.002 . 1 . . . . . 499 LEU MD2 . 50919 2 251 . 1 . 1 274 274 LEU HD23 H 1 -0.18313 0.002 . 1 . . . . . 499 LEU MD2 . 50919 2 252 . 1 . 1 274 274 LEU CD2 C 13 26.87036 0.01 . 1 . . . . . 499 LEU CD2 . 50919 2 253 . 1 . 1 282 282 LEU HD21 H 1 0.57988 0.002 . 1 . . . . . 507 LEU MD2 . 50919 2 254 . 1 . 1 282 282 LEU HD22 H 1 0.57988 0.002 . 1 . . . . . 507 LEU MD2 . 50919 2 255 . 1 . 1 282 282 LEU HD23 H 1 0.57988 0.002 . 1 . . . . . 507 LEU MD2 . 50919 2 256 . 1 . 1 282 282 LEU CD2 C 13 26.7676 0.01 . 1 . . . . . 507 LEU CD2 . 50919 2 257 . 1 . 1 289 289 ILE HD11 H 1 0.63005 0.002 . 1 . . . . . 514 ILE MD . 50919 2 258 . 1 . 1 289 289 ILE HD12 H 1 0.63005 0.002 . 1 . . . . . 514 ILE MD . 50919 2 259 . 1 . 1 289 289 ILE HD13 H 1 0.63005 0.002 . 1 . . . . . 514 ILE MD . 50919 2 260 . 1 . 1 289 289 ILE CD1 C 13 12.62757 0.01 . 1 . . . . . 514 ILE CD1 . 50919 2 261 . 1 . 1 292 292 VAL HG21 H 1 0.6224 0.002 . 1 . . . . . 517 VAL MG2 . 50919 2 262 . 1 . 1 292 292 VAL HG22 H 1 0.6224 0.002 . 1 . . . . . 517 VAL MG2 . 50919 2 263 . 1 . 1 292 292 VAL HG23 H 1 0.6224 0.002 . 1 . . . . . 517 VAL MG2 . 50919 2 264 . 1 . 1 292 292 VAL CG2 C 13 21.88549 0.01 . 1 . . . . . 517 VAL CG2 . 50919 2 265 . 1 . 1 293 293 VAL HG21 H 1 0.77634 0.002 . 1 . . . . . 518 VAL MG2 . 50919 2 266 . 1 . 1 293 293 VAL HG22 H 1 0.77634 0.002 . 1 . . . . . 518 VAL MG2 . 50919 2 267 . 1 . 1 293 293 VAL HG23 H 1 0.77634 0.002 . 1 . . . . . 518 VAL MG2 . 50919 2 268 . 1 . 1 293 293 VAL CG2 C 13 20.70217 0.01 . 1 . . . . . 518 VAL CG2 . 50919 2 269 . 1 . 1 296 296 VAL HG21 H 1 0.29173 0.002 . 1 . . . . . 521 VAL MG2 . 50919 2 270 . 1 . 1 296 296 VAL HG22 H 1 0.29173 0.002 . 1 . . . . . 521 VAL MG2 . 50919 2 271 . 1 . 1 296 296 VAL HG23 H 1 0.29173 0.002 . 1 . . . . . 521 VAL MG2 . 50919 2 272 . 1 . 1 296 296 VAL CG2 C 13 17.14183 0.01 . 1 . . . . . 521 VAL CG2 . 50919 2 273 . 1 . 1 305 305 VAL HG21 H 1 1.19804 0.002 . 1 . . . . . 530 VAL MG2 . 50919 2 274 . 1 . 1 305 305 VAL HG22 H 1 1.19804 0.002 . 1 . . . . . 530 VAL MG2 . 50919 2 275 . 1 . 1 305 305 VAL HG23 H 1 1.19804 0.002 . 1 . . . . . 530 VAL MG2 . 50919 2 276 . 1 . 1 305 305 VAL CG2 C 13 21.39881 0.01 . 1 . . . . . 530 VAL CG2 . 50919 2 stop_ save_