################################### # 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 11070 _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 $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.02 _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err 0.1 _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-1H TOCSY' 1 $sample_1 isotropic 11070 1 2 '2D DQF-COSY' 1 $sample_1 isotropic 11070 1 3 '2D 1H-1H NOESY' 1 $sample_1 isotropic 11070 1 4 '2D 1H-15N HSQC' 2 $sample_2 isotropic 11070 1 5 '3D 1H-15N NOESY' 2 $sample_2 isotropic 11070 1 6 '3D 1H-15N TOCSY' 2 $sample_2 isotropic 11070 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 ASN H H 1 8.819 0.02 . 1 . . . . . 2 ASN H . 11070 1 2 . 1 1 2 2 ASN HB2 H 1 2.681 0.02 . 2 . . . . . 2 ASN HB2 . 11070 1 3 . 1 1 2 2 ASN HB3 H 1 2.681 0.02 . 2 . . . . . 2 ASN HB3 . 11070 1 4 . 1 1 2 2 ASN HD21 H 1 6.888 0.02 . 1 . . . . . 2 ASN HD21 . 11070 1 5 . 1 1 2 2 ASN HD22 H 1 7.553 0.02 . 1 . . . . . 2 ASN HD22 . 11070 1 6 . 1 1 2 2 ASN N N 15 121.221 0.1 . 1 . . . . . 2 ASN N . 11070 1 7 . 1 1 3 3 PHE H H 1 8.502 0.02 . 1 . . . . . 3 PHE H . 11070 1 8 . 1 1 3 3 PHE HA H 1 4.659 0.02 . 1 . . . . . 3 PHE HA . 11070 1 9 . 1 1 3 3 PHE HB2 H 1 3.02 0.02 . 1 . . . . . 3 PHE HB2 . 11070 1 10 . 1 1 3 3 PHE HB3 H 1 3.153 0.02 . 1 . . . . . 3 PHE HB3 . 11070 1 11 . 1 1 3 3 PHE HD1 H 1 7.245 0.02 . 3 . . . . . 3 PHE HD1 . 11070 1 12 . 1 1 3 3 PHE HD2 H 1 7.245 0.02 . 3 . . . . . 3 PHE HD2 . 11070 1 13 . 1 1 3 3 PHE HE1 H 1 7.302 0.02 . 3 . . . . . 3 PHE HE1 . 11070 1 14 . 1 1 3 3 PHE HE2 H 1 7.302 0.02 . 3 . . . . . 3 PHE HE2 . 11070 1 15 . 1 1 3 3 PHE N N 15 121.736 0.1 . 1 . . . . . 3 PHE N . 11070 1 16 . 1 1 4 4 SER H H 1 8.362 0.02 . 1 . . . . . 4 SER H . 11070 1 17 . 1 1 4 4 SER HA H 1 4.405 0.02 . 1 . . . . . 4 SER HA . 11070 1 18 . 1 1 4 4 SER HB2 H 1 3.833 0.02 . 2 . . . . . 4 SER HB2 . 11070 1 19 . 1 1 4 4 SER HB3 H 1 3.833 0.02 . 2 . . . . . 4 SER HB3 . 11070 1 20 . 1 1 4 4 SER N N 15 117.525 0.1 . 1 . . . . . 4 SER N . 11070 1 21 . 1 1 5 5 GLY H H 1 8.003 0.02 . 1 . . . . . 5 GLY H . 11070 1 22 . 1 1 5 5 GLY HA2 H 1 3.907 0.02 . 2 . . . . . 5 GLY HA2 . 11070 1 23 . 1 1 5 5 GLY HA3 H 1 3.907 0.02 . 2 . . . . . 5 GLY HA3 . 11070 1 24 . 1 1 5 5 GLY N N 15 110.389 0.1 . 1 . . . . . 5 GLY N . 11070 1 25 . 1 1 6 6 GLY H H 1 8.187 0.02 . 1 . . . . . 6 GLY H . 11070 1 26 . 1 1 6 6 GLY HA2 H 1 3.939 0.02 . 2 . . . . . 6 GLY HA2 . 11070 1 27 . 1 1 6 6 GLY HA3 H 1 3.939 0.02 . 2 . . . . . 6 GLY HA3 . 11070 1 28 . 1 1 6 6 GLY N N 15 108.135 0.1 . 1 . . . . . 6 GLY N . 11070 1 29 . 1 1 7 7 CYS H H 1 8.203 0.02 . 1 . . . . . 7 CYS H . 11070 1 30 . 1 1 7 7 CYS HA H 1 4.782 0.02 . 1 . . . . . 7 CYS HA . 11070 1 31 . 1 1 7 7 CYS HB2 H 1 2.679 0.02 . 1 . . . . . 7 CYS HB2 . 11070 1 32 . 1 1 7 7 CYS HB3 H 1 3.088 0.02 . 1 . . . . . 7 CYS HB3 . 11070 1 33 . 1 1 7 7 CYS N N 15 118.531 0.1 . 1 . . . . . 7 CYS N . 11070 1 34 . 1 1 8 8 VAL H H 1 8.143 0.02 . 1 . . . . . 8 VAL H . 11070 1 35 . 1 1 8 8 VAL HA H 1 4.059 0.02 . 1 . . . . . 8 VAL HA . 11070 1 36 . 1 1 8 8 VAL HB H 1 2.113 0.02 . 1 . . . . . 8 VAL HB . 11070 1 37 . 1 1 8 8 VAL HG11 H 1 0.758 0.02 . 2 . . . . . 8 VAL MG1 . 11070 1 38 . 1 1 8 8 VAL HG12 H 1 0.758 0.02 . 2 . . . . . 8 VAL MG1 . 11070 1 39 . 1 1 8 8 VAL HG13 H 1 0.758 0.02 . 2 . . . . . 8 VAL MG1 . 11070 1 40 . 1 1 8 8 VAL HG21 H 1 0.884 0.02 . 2 . . . . . 8 VAL MG2 . 11070 1 41 . 1 1 8 8 VAL HG22 H 1 0.884 0.02 . 2 . . . . . 8 VAL MG2 . 11070 1 42 . 1 1 8 8 VAL HG23 H 1 0.884 0.02 . 2 . . . . . 8 VAL MG2 . 11070 1 43 . 1 1 8 8 VAL N N 15 119.294 0.1 . 1 . . . . . 8 VAL N . 11070 1 44 . 1 1 9 9 ALA H H 1 8.123 0.02 . 1 . . . . . 9 ALA H . 11070 1 45 . 1 1 9 9 ALA HA H 1 4.167 0.02 . 1 . . . . . 9 ALA HA . 11070 1 46 . 1 1 9 9 ALA HB1 H 1 1.37 0.02 . 1 . . . . . 9 ALA MB . 11070 1 47 . 1 1 9 9 ALA HB2 H 1 1.37 0.02 . 1 . . . . . 9 ALA MB . 11070 1 48 . 1 1 9 9 ALA HB3 H 1 1.37 0.02 . 1 . . . . . 9 ALA MB . 11070 1 49 . 1 1 9 9 ALA N N 15 123.279 0.1 . 1 . . . . . 9 ALA N . 11070 1 50 . 1 1 10 10 GLY H H 1 8.518 0.02 . 1 . . . . . 10 GLY H . 11070 1 51 . 1 1 10 10 GLY HA2 H 1 3.557 0.02 . 1 . . . . . 10 GLY HA2 . 11070 1 52 . 1 1 10 10 GLY HA3 H 1 4.214 0.02 . 1 . . . . . 10 GLY HA3 . 11070 1 53 . 1 1 10 10 GLY N N 15 108.312 0.1 . 1 . . . . . 10 GLY N . 11070 1 54 . 1 1 11 11 TYR H H 1 8.327 0.02 . 1 . . . . . 11 TYR H . 11070 1 55 . 1 1 11 11 TYR HA H 1 4.869 0.02 . 1 . . . . . 11 TYR HA . 11070 1 56 . 1 1 11 11 TYR HB2 H 1 2.575 0.02 . 1 . . . . . 11 TYR HB2 . 11070 1 57 . 1 1 11 11 TYR HB3 H 1 3.259 0.02 . 1 . . . . . 11 TYR HB3 . 11070 1 58 . 1 1 11 11 TYR HD1 H 1 6.809 0.02 . 3 . . . . . 11 TYR HD1 . 11070 1 59 . 1 1 11 11 TYR HD2 H 1 6.809 0.02 . 3 . . . . . 11 TYR HD2 . 11070 1 60 . 1 1 11 11 TYR HE1 H 1 6.748 0.02 . 3 . . . . . 11 TYR HE1 . 11070 1 61 . 1 1 11 11 TYR HE2 H 1 6.748 0.02 . 3 . . . . . 11 TYR HE2 . 11070 1 62 . 1 1 11 11 TYR N N 15 120.379 0.1 . 1 . . . . . 11 TYR N . 11070 1 63 . 1 1 12 12 MET H H 1 8.992 0.02 . 1 . . . . . 12 MET H . 11070 1 64 . 1 1 12 12 MET HA H 1 4.611 0.02 . 1 . . . . . 12 MET HA . 11070 1 65 . 1 1 12 12 MET HB2 H 1 1.966 0.02 . 2 . . . . . 12 MET HB2 . 11070 1 66 . 1 1 12 12 MET HB3 H 1 1.966 0.02 . 2 . . . . . 12 MET HB3 . 11070 1 67 . 1 1 12 12 MET HG2 H 1 2.401 0.02 . 2 . . . . . 12 MET HG2 . 11070 1 68 . 1 1 12 12 MET HG3 H 1 2.401 0.02 . 2 . . . . . 12 MET HG3 . 11070 1 69 . 1 1 12 12 MET N N 15 118.019 0.1 . 1 . . . . . 12 MET N . 11070 1 70 . 1 1 13 13 ARG H H 1 8.361 0.02 . 1 . . . . . 13 ARG H . 11070 1 71 . 1 1 13 13 ARG HA H 1 4.938 0.02 . 1 . . . . . 13 ARG HA . 11070 1 72 . 1 1 13 13 ARG HB2 H 1 1.747 0.02 . 2 . . . . . 13 ARG HB2 . 11070 1 73 . 1 1 13 13 ARG HB3 H 1 1.747 0.02 . 2 . . . . . 13 ARG HB3 . 11070 1 74 . 1 1 13 13 ARG HD2 H 1 3.069 0.02 . 2 . . . . . 13 ARG HD2 . 11070 1 75 . 1 1 13 13 ARG HD3 H 1 3.069 0.02 . 2 . . . . . 13 ARG HD3 . 11070 1 76 . 1 1 13 13 ARG HE H 1 7.097 0.02 . 1 . . . . . 13 ARG HE . 11070 1 77 . 1 1 13 13 ARG HG2 H 1 1.569 0.02 . 2 . . . . . 13 ARG HG2 . 11070 1 78 . 1 1 13 13 ARG HG3 H 1 1.569 0.02 . 2 . . . . . 13 ARG HG3 . 11070 1 79 . 1 1 13 13 ARG HH11 H 1 6.77 0.02 . 2 . . . . . 13 ARG HH11 . 11070 1 80 . 1 1 13 13 ARG HH12 H 1 6.77 0.02 . 2 . . . . . 13 ARG HH12 . 11070 1 81 . 1 1 13 13 ARG HH21 H 1 6.607 0.02 . 2 . . . . . 13 ARG HH21 . 11070 1 82 . 1 1 13 13 ARG HH22 H 1 6.607 0.02 . 2 . . . . . 13 ARG HH22 . 11070 1 83 . 1 1 13 13 ARG N N 15 123.823 0.1 . 1 . . . . . 13 ARG N . 11070 1 84 . 1 1 14 14 THR H H 1 8.796 0.02 . 1 . . . . . 14 THR H . 11070 1 85 . 1 1 14 14 THR HA H 1 4.704 0.02 . 1 . . . . . 14 THR HA . 11070 1 86 . 1 1 14 14 THR HB H 1 4.596 0.02 . 1 . . . . . 14 THR HB . 11070 1 87 . 1 1 14 14 THR HG21 H 1 1.192 0.02 . 1 . . . . . 14 THR MG . 11070 1 88 . 1 1 14 14 THR HG22 H 1 1.192 0.02 . 1 . . . . . 14 THR MG . 11070 1 89 . 1 1 14 14 THR HG23 H 1 1.192 0.02 . 1 . . . . . 14 THR MG . 11070 1 90 . 1 1 14 14 THR N N 15 118.192 0.1 . 1 . . . . . 14 THR N . 11070 1 91 . 1 1 15 15 PRO HA H 1 4.339 0.02 . 1 . . . . . 15 PRO HA . 11070 1 92 . 1 1 15 15 PRO HB2 H 1 2.397 0.02 . 2 . . . . . 15 PRO HB2 . 11070 1 93 . 1 1 15 15 PRO HB3 H 1 2.397 0.02 . 2 . . . . . 15 PRO HB3 . 11070 1 94 . 1 1 15 15 PRO HD2 H 1 3.786 0.02 . 1 . . . . . 15 PRO HD2 . 11070 1 95 . 1 1 15 15 PRO HD3 H 1 3.872 0.02 . 1 . . . . . 15 PRO HD3 . 11070 1 96 . 1 1 15 15 PRO HG2 H 1 2.118 0.02 . 1 . . . . . 15 PRO HG2 . 11070 1 97 . 1 1 15 15 PRO HG3 H 1 1.987 0.02 . 1 . . . . . 15 PRO HG3 . 11070 1 98 . 1 1 16 16 ASP H H 1 7.952 0.02 . 1 . . . . . 16 ASP H . 11070 1 99 . 1 1 16 16 ASP HA H 1 4.562 0.02 . 1 . . . . . 16 ASP HA . 11070 1 100 . 1 1 16 16 ASP HB2 H 1 2.615 0.02 . 1 . . . . . 16 ASP HB2 . 11070 1 101 . 1 1 16 16 ASP HB3 H 1 2.907 0.02 . 1 . . . . . 16 ASP HB3 . 11070 1 102 . 1 1 16 16 ASP N N 15 112.858 0.1 . 1 . . . . . 16 ASP N . 11070 1 103 . 1 1 17 17 GLY H H 1 8.281 0.02 . 1 . . . . . 17 GLY H . 11070 1 104 . 1 1 17 17 GLY HA2 H 1 4.16 0.02 . 1 . . . . . 17 GLY HA2 . 11070 1 105 . 1 1 17 17 GLY HA3 H 1 3.59 0.02 . 1 . . . . . 17 GLY HA3 . 11070 1 106 . 1 1 17 17 GLY N N 15 108.351 0.1 . 1 . . . . . 17 GLY N . 11070 1 107 . 1 1 18 18 ARG H H 1 7.641 0.02 . 1 . . . . . 18 ARG H . 11070 1 108 . 1 1 18 18 ARG HA H 1 4.424 0.02 . 1 . . . . . 18 ARG HA . 11070 1 109 . 1 1 18 18 ARG HB2 H 1 1.773 0.02 . 2 . . . . . 18 ARG HB2 . 11070 1 110 . 1 1 18 18 ARG HB3 H 1 1.773 0.02 . 2 . . . . . 18 ARG HB3 . 11070 1 111 . 1 1 18 18 ARG HD2 H 1 3.122 0.02 . 2 . . . . . 18 ARG HD2 . 11070 1 112 . 1 1 18 18 ARG HD3 H 1 3.122 0.02 . 2 . . . . . 18 ARG HD3 . 11070 1 113 . 1 1 18 18 ARG HE H 1 7.435 0.02 . 1 . . . . . 18 ARG HE . 11070 1 114 . 1 1 18 18 ARG HG2 H 1 1.505 0.02 . 2 . . . . . 18 ARG HG2 . 11070 1 115 . 1 1 18 18 ARG HG3 H 1 1.505 0.02 . 2 . . . . . 18 ARG HG3 . 11070 1 116 . 1 1 18 18 ARG N N 15 120.29 0.1 . 1 . . . . . 18 ARG N . 11070 1 117 . 1 1 19 19 CYS H H 1 8.504 0.02 . 1 . . . . . 19 CYS H . 11070 1 118 . 1 1 19 19 CYS HA H 1 5.196 0.02 . 1 . . . . . 19 CYS HA . 11070 1 119 . 1 1 19 19 CYS HB2 H 1 2.861 0.02 . 2 . . . . . 19 CYS HB2 . 11070 1 120 . 1 1 19 19 CYS HB3 H 1 2.861 0.02 . 2 . . . . . 19 CYS HB3 . 11070 1 121 . 1 1 19 19 CYS N N 15 118.417 0.1 . 1 . . . . . 19 CYS N . 11070 1 122 . 1 1 20 20 LYS H H 1 9.062 0.02 . 1 . . . . . 20 LYS H . 11070 1 123 . 1 1 20 20 LYS HA H 1 4.835 0.02 . 1 . . . . . 20 LYS HA . 11070 1 124 . 1 1 20 20 LYS HB2 H 1 1.659 0.02 . 2 . . . . . 20 LYS HB2 . 11070 1 125 . 1 1 20 20 LYS HB3 H 1 1.659 0.02 . 2 . . . . . 20 LYS HB3 . 11070 1 126 . 1 1 20 20 LYS HD2 H 1 1.581 0.02 . 2 . . . . . 20 LYS HD2 . 11070 1 127 . 1 1 20 20 LYS HD3 H 1 1.581 0.02 . 2 . . . . . 20 LYS HD3 . 11070 1 128 . 1 1 20 20 LYS HG2 H 1 1.326 0.02 . 2 . . . . . 20 LYS HG2 . 11070 1 129 . 1 1 20 20 LYS HG3 H 1 1.326 0.02 . 2 . . . . . 20 LYS HG3 . 11070 1 130 . 1 1 20 20 LYS N N 15 125.343 0.1 . 1 . . . . . 20 LYS N . 11070 1 131 . 1 1 21 21 PRO HA H 1 4 0.02 . 1 . . . . . 21 PRO HA . 11070 1 132 . 1 1 21 21 PRO HB2 H 1 1.767 0.02 . 1 . . . . . 21 PRO HB2 . 11070 1 133 . 1 1 21 21 PRO HB3 H 1 1.348 0.02 . 1 . . . . . 21 PRO HB3 . 11070 1 134 . 1 1 21 21 PRO HD2 H 1 3.429 0.02 . 1 . . . . . 21 PRO HD2 . 11070 1 135 . 1 1 21 21 PRO HD3 H 1 3.705 0.02 . 1 . . . . . 21 PRO HD3 . 11070 1 136 . 1 1 21 21 PRO HG2 H 1 1.885 0.02 . 1 . . . . . 21 PRO HG2 . 11070 1 137 . 1 1 21 21 PRO HG3 H 1 1.764 0.02 . 1 . . . . . 21 PRO HG3 . 11070 1 138 . 1 1 22 22 THR H H 1 8.232 0.02 . 1 . . . . . 22 THR H . 11070 1 139 . 1 1 22 22 THR HA H 1 4.112 0.02 . 1 . . . . . 22 THR HA . 11070 1 140 . 1 1 22 22 THR HG21 H 1 1.071 0.02 . 1 . . . . . 22 THR MG . 11070 1 141 . 1 1 22 22 THR HG22 H 1 1.071 0.02 . 1 . . . . . 22 THR MG . 11070 1 142 . 1 1 22 22 THR HG23 H 1 1.071 0.02 . 1 . . . . . 22 THR MG . 11070 1 143 . 1 1 22 22 THR N N 15 114.773 0.1 . 1 . . . . . 22 THR N . 11070 1 144 . 1 1 23 23 PHE H H 1 7.964 0.02 . 1 . . . . . 23 PHE H . 11070 1 145 . 1 1 23 23 PHE HA H 1 4.369 0.02 . 1 . . . . . 23 PHE HA . 11070 1 146 . 1 1 23 23 PHE HB2 H 1 2.972 0.02 . 1 . . . . . 23 PHE HB2 . 11070 1 147 . 1 1 23 23 PHE HB3 H 1 3.121 0.02 . 1 . . . . . 23 PHE HB3 . 11070 1 148 . 1 1 23 23 PHE HD1 H 1 7.095 0.02 . 3 . . . . . 23 PHE HD1 . 11070 1 149 . 1 1 23 23 PHE HD2 H 1 7.095 0.02 . 3 . . . . . 23 PHE HD2 . 11070 1 150 . 1 1 23 23 PHE HE1 H 1 7.179 0.02 . 3 . . . . . 23 PHE HE1 . 11070 1 151 . 1 1 23 23 PHE HE2 H 1 7.179 0.02 . 3 . . . . . 23 PHE HE2 . 11070 1 152 . 1 1 23 23 PHE N N 15 118.896 0.1 . 1 . . . . . 23 PHE N . 11070 1 153 . 1 1 24 24 TYR H H 1 7.695 0.02 . 1 . . . . . 24 TYR H . 11070 1 154 . 1 1 24 24 TYR HA H 1 4.158 0.02 . 1 . . . . . 24 TYR HA . 11070 1 155 . 1 1 24 24 TYR HB2 H 1 2.907 0.02 . 2 . . . . . 24 TYR HB2 . 11070 1 156 . 1 1 24 24 TYR HB3 H 1 2.907 0.02 . 2 . . . . . 24 TYR HB3 . 11070 1 157 . 1 1 24 24 TYR HD1 H 1 6.903 0.02 . 3 . . . . . 24 TYR HD1 . 11070 1 158 . 1 1 24 24 TYR HD2 H 1 6.903 0.02 . 3 . . . . . 24 TYR HD2 . 11070 1 159 . 1 1 24 24 TYR HE1 H 1 6.76 0.02 . 3 . . . . . 24 TYR HE1 . 11070 1 160 . 1 1 24 24 TYR HE2 H 1 6.76 0.02 . 3 . . . . . 24 TYR HE2 . 11070 1 161 . 1 1 24 24 TYR N N 15 119.186 0.1 . 1 . . . . . 24 TYR N . 11070 1 162 . 1 1 25 25 GLN H H 1 7.889 0.02 . 1 . . . . . 25 GLN H . 11070 1 163 . 1 1 25 25 GLN HA H 1 4.12 0.02 . 1 . . . . . 25 GLN HA . 11070 1 164 . 1 1 25 25 GLN HB2 H 1 2.03 0.02 . 2 . . . . . 25 GLN HB2 . 11070 1 165 . 1 1 25 25 GLN HB3 H 1 2.03 0.02 . 2 . . . . . 25 GLN HB3 . 11070 1 166 . 1 1 25 25 GLN HE21 H 1 6.729 0.02 . 1 . . . . . 25 GLN HE21 . 11070 1 167 . 1 1 25 25 GLN HE22 H 1 7.446 0.02 . 1 . . . . . 25 GLN HE22 . 11070 1 168 . 1 1 25 25 GLN HG2 H 1 2.286 0.02 . 2 . . . . . 25 GLN HG2 . 11070 1 169 . 1 1 25 25 GLN HG3 H 1 2.286 0.02 . 2 . . . . . 25 GLN HG3 . 11070 1 170 . 1 1 26 26 LEU H H 1 7.783 0.02 . 1 . . . . . 26 LEU H . 11070 1 171 . 1 1 26 26 LEU HA H 1 4.201 0.02 . 1 . . . . . 26 LEU HA . 11070 1 172 . 1 1 26 26 LEU HB2 H 1 1.799 0.02 . 1 . . . . . 26 LEU HB2 . 11070 1 173 . 1 1 26 26 LEU HB3 H 1 1.716 0.02 . 1 . . . . . 26 LEU HB3 . 11070 1 174 . 1 1 26 26 LEU HD11 H 1 0.861 0.02 . 1 . . . . . 26 LEU MD1 . 11070 1 175 . 1 1 26 26 LEU HD12 H 1 0.861 0.02 . 1 . . . . . 26 LEU MD1 . 11070 1 176 . 1 1 26 26 LEU HD13 H 1 0.861 0.02 . 1 . . . . . 26 LEU MD1 . 11070 1 177 . 1 1 26 26 LEU HD21 H 1 0.922 0.02 . 1 . . . . . 26 LEU MD2 . 11070 1 178 . 1 1 26 26 LEU HD22 H 1 0.922 0.02 . 1 . . . . . 26 LEU MD2 . 11070 1 179 . 1 1 26 26 LEU HD23 H 1 0.922 0.02 . 1 . . . . . 26 LEU MD2 . 11070 1 180 . 1 1 26 26 LEU HG H 1 1.573 0.02 . 1 . . . . . 26 LEU HG . 11070 1 181 . 1 1 26 26 LEU N N 15 119.569 0.1 . 1 . . . . . 26 LEU N . 11070 1 182 . 1 1 27 27 ILE H H 1 7.356 0.02 . 1 . . . . . 27 ILE H . 11070 1 183 . 1 1 27 27 ILE HA H 1 4.308 0.02 . 1 . . . . . 27 ILE HA . 11070 1 184 . 1 1 27 27 ILE HB H 1 1.996 0.02 . 1 . . . . . 27 ILE HB . 11070 1 185 . 1 1 27 27 ILE HD11 H 1 0.814 0.02 . 1 . . . . . 27 ILE MD . 11070 1 186 . 1 1 27 27 ILE HD12 H 1 0.814 0.02 . 1 . . . . . 27 ILE MD . 11070 1 187 . 1 1 27 27 ILE HD13 H 1 0.814 0.02 . 1 . . . . . 27 ILE MD . 11070 1 188 . 1 1 27 27 ILE HG12 H 1 1.444 0.02 . 1 . . . . . 27 ILE HG12 . 11070 1 189 . 1 1 27 27 ILE HG13 H 1 1.149 0.02 . 1 . . . . . 27 ILE HG13 . 11070 1 190 . 1 1 27 27 ILE HG21 H 1 0.849 0.02 . 1 . . . . . 27 ILE MG . 11070 1 191 . 1 1 27 27 ILE HG22 H 1 0.849 0.02 . 1 . . . . . 27 ILE MG . 11070 1 192 . 1 1 27 27 ILE HG23 H 1 0.849 0.02 . 1 . . . . . 27 ILE MG . 11070 1 193 . 1 1 27 27 ILE N N 15 118.994 0.1 . 1 . . . . . 27 ILE N . 11070 1 194 . 1 1 28 28 THR H H 1 7.431 0.02 . 1 . . . . . 28 THR H . 11070 1 195 . 1 1 28 28 THR HA H 1 4.191 0.02 . 1 . . . . . 28 THR HA . 11070 1 196 . 1 1 28 28 THR HG21 H 1 1.106 0.02 . 1 . . . . . 28 THR MG . 11070 1 197 . 1 1 28 28 THR HG22 H 1 1.106 0.02 . 1 . . . . . 28 THR MG . 11070 1 198 . 1 1 28 28 THR HG23 H 1 1.106 0.02 . 1 . . . . . 28 THR MG . 11070 1 199 . 1 1 28 28 THR N N 15 115.107 0.1 . 1 . . . . . 28 THR N . 11070 1 stop_ save_