################################### # 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 17346 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-1H TOCSY' . . . 17346 1 2 '2D 1H-1H NOESY' . . . 17346 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 ILE H H 1 8.037 0.02 . 1 . . . . 249 ILE H . 17346 1 2 . 1 1 2 2 ILE HA H 1 4.111 0.02 . 1 . . . . 249 ILE HA . 17346 1 3 . 1 1 2 2 ILE HB H 1 2.181 0.02 . 1 . . . . 249 ILE HB . 17346 1 4 . 1 1 2 2 ILE HD11 H 1 0.972 0.02 . 1 . . . . 249 ILE MD . 17346 1 5 . 1 1 2 2 ILE HD12 H 1 0.972 0.02 . 1 . . . . 249 ILE MD . 17346 1 6 . 1 1 2 2 ILE HD13 H 1 0.972 0.02 . 1 . . . . 249 ILE MD . 17346 1 7 . 1 1 3 3 HIS H H 1 8.543 0.02 . 1 . . . . 250 HIS H . 17346 1 8 . 1 1 3 3 HIS HA H 1 4.544 0.02 . 1 . . . . 250 HIS HA . 17346 1 9 . 1 1 3 3 HIS HB2 H 1 3.262 0.02 . 1 . . . . 250 HIS HB2 . 17346 1 10 . 1 1 3 3 HIS HB3 H 1 3.262 0.02 . 1 . . . . 250 HIS HB3 . 17346 1 11 . 1 1 3 3 HIS HD2 H 1 7.155 0.02 . 1 . . . . 250 HIS HD2 . 17346 1 12 . 1 1 3 3 HIS HE1 H 1 8.037 0.02 . 1 . . . . 250 HIS HE1 . 17346 1 13 . 1 1 4 4 LYS H H 1 8.477 0.02 . 1 . . . . 251 LYS H . 17346 1 14 . 1 1 4 4 LYS HA H 1 4.224 0.02 . 1 . . . . 251 LYS HA . 17346 1 15 . 1 1 5 5 GLN H H 1 8.399 0.02 . 1 . . . . 252 GLN H . 17346 1 16 . 1 1 5 5 GLN HA H 1 4.173 0.02 . 1 . . . . 252 GLN HA . 17346 1 17 . 1 1 5 5 GLN HB2 H 1 2.179 0.02 . 1 . . . . 252 GLN HB2 . 17346 1 18 . 1 1 5 5 GLN HB3 H 1 2.179 0.02 . 1 . . . . 252 GLN HB3 . 17346 1 19 . 1 1 5 5 GLN HG2 H 1 2.463 0.02 . 1 . . . . 252 GLN HG2 . 17346 1 20 . 1 1 5 5 GLN HG3 H 1 2.463 0.02 . 1 . . . . 252 GLN HG3 . 17346 1 21 . 1 1 5 5 GLN HE21 H 1 7.419 0.02 . 1 . . . . 252 GLN HE21 . 17346 1 22 . 1 1 5 5 GLN HE22 H 1 6.772 0.02 . 1 . . . . 252 GLN HE22 . 17346 1 23 . 1 1 6 6 LYS H H 1 8.432 0.02 . 1 . . . . 253 LYS H . 17346 1 24 . 1 1 6 6 LYS HA H 1 4.166 0.02 . 1 . . . . 253 LYS HA . 17346 1 25 . 1 1 6 6 LYS HB2 H 1 1.943 0.02 . 1 . . . . 253 LYS HB2 . 17346 1 26 . 1 1 6 6 LYS HB3 H 1 1.943 0.02 . 1 . . . . 253 LYS HB3 . 17346 1 27 . 1 1 6 6 LYS HG2 H 1 1.479 0.02 . 1 . . . . 253 LYS HG2 . 17346 1 28 . 1 1 6 6 LYS HG3 H 1 1.479 0.02 . 1 . . . . 253 LYS HG3 . 17346 1 29 . 1 1 6 6 LYS HD2 H 1 1.593 0.02 . 1 . . . . 253 LYS HD2 . 17346 1 30 . 1 1 6 6 LYS HD3 H 1 1.736 0.02 . 1 . . . . 253 LYS HD3 . 17346 1 31 . 1 1 7 7 GLU H H 1 8.422 0.02 . 1 . . . . 254 GLU H . 17346 1 32 . 1 1 7 7 GLU HA H 1 4.173 0.02 . 1 . . . . 254 GLU HA . 17346 1 33 . 1 1 7 7 GLU HB2 H 1 2.141 0.02 . 1 . . . . 254 GLU HB2 . 17346 1 34 . 1 1 7 7 GLU HB3 H 1 2.141 0.02 . 1 . . . . 254 GLU HB3 . 17346 1 35 . 1 1 7 7 GLU HG2 H 1 2.365 0.02 . 1 . . . . 254 GLU HG2 . 17346 1 36 . 1 1 7 7 GLU HG3 H 1 2.365 0.02 . 1 . . . . 254 GLU HG3 . 17346 1 37 . 1 1 8 8 LYS H H 1 8.314 0.02 . 1 . . . . 255 LYS H . 17346 1 38 . 1 1 8 8 LYS HA H 1 4.109 0.02 . 1 . . . . 255 LYS HA . 17346 1 39 . 1 1 8 8 LYS HB2 H 1 1.949 0.02 . 1 . . . . 255 LYS HB2 . 17346 1 40 . 1 1 8 8 LYS HB3 H 1 1.949 0.02 . 1 . . . . 255 LYS HB3 . 17346 1 41 . 1 1 8 8 LYS HG2 H 1 1.466 0.02 . 1 . . . . 255 LYS HG2 . 17346 1 42 . 1 1 8 8 LYS HG3 H 1 1.466 0.02 . 1 . . . . 255 LYS HG3 . 17346 1 43 . 1 1 8 8 LYS HD2 H 1 1.617 0.02 . 1 . . . . 255 LYS HD2 . 17346 1 44 . 1 1 8 8 LYS HD3 H 1 1.726 0.02 . 1 . . . . 255 LYS HD3 . 17346 1 45 . 1 1 9 9 SER H H 1 8.150 0.02 . 1 . . . . 256 SER H . 17346 1 46 . 1 1 9 9 SER HA H 1 4.352 0.02 . 1 . . . . 256 SER HA . 17346 1 47 . 1 1 9 9 SER HB2 H 1 4.016 0.02 . 2 . . . . 256 SER HB2 . 17346 1 48 . 1 1 9 9 SER HB3 H 1 4.083 0.02 . 2 . . . . 256 SER HB3 . 17346 1 49 . 1 1 10 10 ARG H H 1 8.034 0.02 . 1 . . . . 257 ARG H . 17346 1 50 . 1 1 10 10 ARG HA H 1 4.229 0.02 . 1 . . . . 257 ARG HA . 17346 1 51 . 1 1 10 10 ARG HB2 H 1 1.993 0.02 . 2 . . . . 257 ARG HB2 . 17346 1 52 . 1 1 10 10 ARG HB3 H 1 2.030 0.02 . 2 . . . . 257 ARG HB3 . 17346 1 53 . 1 1 10 10 ARG HG2 H 1 1.701 0.02 . 2 . . . . 257 ARG HG2 . 17346 1 54 . 1 1 10 10 ARG HG3 H 1 1.829 0.02 . 2 . . . . 257 ARG HG3 . 17346 1 55 . 1 1 11 11 LEU H H 1 8.064 0.02 . 1 . . . . 258 LEU H . 17346 1 56 . 1 1 11 11 LEU HA H 1 4.265 0.02 . 1 . . . . 258 LEU HA . 17346 1 57 . 1 1 11 11 LEU HB2 H 1 1.771 0.02 . 2 . . . . 258 LEU HB2 . 17346 1 58 . 1 1 11 11 LEU HB3 H 1 1.852 0.02 . 2 . . . . 258 LEU HB3 . 17346 1 59 . 1 1 11 11 LEU HG H 1 1.709 0.02 . 1 . . . . 258 LEU HG . 17346 1 60 . 1 1 11 11 LEU HD11 H 1 0.932 0.02 . 2 . . . . 258 LEU MD1 . 17346 1 61 . 1 1 11 11 LEU HD12 H 1 0.932 0.02 . 2 . . . . 258 LEU MD1 . 17346 1 62 . 1 1 11 11 LEU HD13 H 1 0.932 0.02 . 2 . . . . 258 LEU MD1 . 17346 1 63 . 1 1 11 11 LEU HD21 H 1 1.114 0.02 . 2 . . . . 258 LEU MD2 . 17346 1 64 . 1 1 11 11 LEU HD22 H 1 1.114 0.02 . 2 . . . . 258 LEU MD2 . 17346 1 65 . 1 1 11 11 LEU HD23 H 1 1.114 0.02 . 2 . . . . 258 LEU MD2 . 17346 1 66 . 1 1 12 12 GLN H H 1 8.276 0.02 . 1 . . . . 259 GLN H . 17346 1 67 . 1 1 12 12 GLN HA H 1 4.128 0.02 . 1 . . . . 259 GLN HA . 17346 1 68 . 1 1 12 12 GLN HB2 H 1 2.191 0.02 . 2 . . . . 259 GLN HB2 . 17346 1 69 . 1 1 12 12 GLN HB3 H 1 2.191 0.02 . 2 . . . . 259 GLN HB3 . 17346 1 70 . 1 1 12 12 GLN HG2 H 1 2.394 0.02 . 2 . . . . 259 GLN HG2 . 17346 1 71 . 1 1 12 12 GLN HG3 H 1 2.533 0.02 . 2 . . . . 259 GLN HG3 . 17346 1 72 . 1 1 12 12 GLN HE21 H 1 7.077 0.02 . 1 . . . . 259 GLN HE21 . 17346 1 73 . 1 1 12 12 GLN HE22 H 1 6.694 0.02 . 1 . . . . 259 GLN HE22 . 17346 1 74 . 1 1 13 13 GLY H H 1 8.270 0.02 . 1 . . . . 260 GLY H . 17346 1 75 . 1 1 13 13 GLY HA2 H 1 3.931 0.02 . 1 . . . . 260 GLY HA2 . 17346 1 76 . 1 1 13 13 GLY HA3 H 1 3.931 0.02 . 1 . . . . 260 GLY HA3 . 17346 1 77 . 1 1 14 14 GLY H H 1 8.068 0.02 . 1 . . . . 261 GLY H . 17346 1 78 . 1 1 14 14 GLY HA2 H 1 3.927 0.02 . 1 . . . . 261 GLY HA2 . 17346 1 79 . 1 1 14 14 GLY HA3 H 1 3.927 0.02 . 1 . . . . 261 GLY HA3 . 17346 1 80 . 1 1 15 15 VAL H H 1 7.944 0.02 . 1 . . . . 262 VAL H . 17346 1 81 . 1 1 15 15 VAL HA H 1 3.793 0.02 . 1 . . . . 262 VAL HA . 17346 1 82 . 1 1 15 15 VAL HB H 1 2.286 0.02 . 1 . . . . 262 VAL HB . 17346 1 83 . 1 1 15 15 VAL HG11 H 1 1.045 0.02 . 2 . . . . 262 VAL MG1 . 17346 1 84 . 1 1 15 15 VAL HG12 H 1 1.045 0.02 . 2 . . . . 262 VAL MG1 . 17346 1 85 . 1 1 15 15 VAL HG13 H 1 1.045 0.02 . 2 . . . . 262 VAL MG1 . 17346 1 86 . 1 1 15 15 VAL HG21 H 1 1.116 0.02 . 2 . . . . 262 VAL MG2 . 17346 1 87 . 1 1 15 15 VAL HG22 H 1 1.116 0.02 . 2 . . . . 262 VAL MG2 . 17346 1 88 . 1 1 15 15 VAL HG23 H 1 1.116 0.02 . 2 . . . . 262 VAL MG2 . 17346 1 89 . 1 1 16 16 LEU H H 1 7.833 0.02 . 1 . . . . 263 LEU H . 17346 1 90 . 1 1 16 16 LEU HA H 1 4.188 0.02 . 1 . . . . 263 LEU HA . 17346 1 91 . 1 1 16 16 LEU HB2 H 1 1.778 0.02 . 2 . . . . 263 LEU HB2 . 17346 1 92 . 1 1 16 16 LEU HB3 H 1 1.885 0.02 . 2 . . . . 263 LEU HB3 . 17346 1 93 . 1 1 16 16 LEU HG H 1 1.730 0.02 . 1 . . . . 263 LEU HG . 17346 1 94 . 1 1 16 16 LEU HD11 H 1 0.935 0.02 . 2 . . . . 263 LEU MD1 . 17346 1 95 . 1 1 16 16 LEU HD12 H 1 0.935 0.02 . 2 . . . . 263 LEU MD1 . 17346 1 96 . 1 1 16 16 LEU HD13 H 1 0.935 0.02 . 2 . . . . 263 LEU MD1 . 17346 1 97 . 1 1 16 16 LEU HD21 H 1 0.974 0.02 . 2 . . . . 263 LEU MD2 . 17346 1 98 . 1 1 16 16 LEU HD22 H 1 0.974 0.02 . 2 . . . . 263 LEU MD2 . 17346 1 99 . 1 1 16 16 LEU HD23 H 1 0.974 0.02 . 2 . . . . 263 LEU MD2 . 17346 1 100 . 1 1 17 17 VAL H H 1 8.197 0.02 . 1 . . . . 264 VAL H . 17346 1 101 . 1 1 17 17 VAL HA H 1 3.659 0.02 . 1 . . . . 264 VAL HA . 17346 1 102 . 1 1 17 17 VAL HB H 1 2.146 0.02 . 1 . . . . 264 VAL HB . 17346 1 103 . 1 1 17 17 VAL HG11 H 1 0.993 0.02 . 2 . . . . 264 VAL MG1 . 17346 1 104 . 1 1 17 17 VAL HG12 H 1 0.993 0.02 . 2 . . . . 264 VAL MG1 . 17346 1 105 . 1 1 17 17 VAL HG13 H 1 0.993 0.02 . 2 . . . . 264 VAL MG1 . 17346 1 106 . 1 1 17 17 VAL HG21 H 1 1.108 0.02 . 2 . . . . 264 VAL MG2 . 17346 1 107 . 1 1 17 17 VAL HG22 H 1 1.108 0.02 . 2 . . . . 264 VAL MG2 . 17346 1 108 . 1 1 17 17 VAL HG23 H 1 1.108 0.02 . 2 . . . . 264 VAL MG2 . 17346 1 109 . 1 1 18 18 ASN H H 1 7.931 0.02 . 1 . . . . 265 ASN H . 17346 1 110 . 1 1 18 18 ASN HA H 1 4.413 0.02 . 1 . . . . 265 ASN HA . 17346 1 111 . 1 1 18 18 ASN HB2 H 1 2.869 0.02 . 2 . . . . 265 ASN HB2 . 17346 1 112 . 1 1 18 18 ASN HB3 H 1 2.924 0.02 . 2 . . . . 265 ASN HB3 . 17346 1 113 . 1 1 18 18 ASN HD21 H 1 7.827 0.02 . 1 . . . . 265 ASN HD21 . 17346 1 114 . 1 1 18 18 ASN HD22 H 1 6.700 0.02 . 1 . . . . 265 ASN HD22 . 17346 1 115 . 1 1 19 19 GLU H H 1 8.267 0.02 . 1 . . . . 266 GLU H . 17346 1 116 . 1 1 19 19 GLU HA H 1 4.288 0.02 . 1 . . . . 266 GLU HA . 17346 1 117 . 1 1 19 19 GLU HB2 H 1 2.262 0.02 . 2 . . . . 266 GLU HB2 . 17346 1 118 . 1 1 19 19 GLU HB3 H 1 2.385 0.02 . 2 . . . . 266 GLU HB3 . 17346 1 119 . 1 1 19 19 GLU HG2 H 1 2.516 0.02 . 1 . . . . 266 GLU HG2 . 17346 1 120 . 1 1 19 19 GLU HG3 H 1 2.516 0.02 . 1 . . . . 266 GLU HG3 . 17346 1 121 . 1 1 20 20 ILE H H 1 8.596 0.02 . 1 . . . . 267 ILE H . 17346 1 122 . 1 1 20 20 ILE HA H 1 3.760 0.02 . 1 . . . . 267 ILE HA . 17346 1 123 . 1 1 20 20 ILE HB H 1 2.088 0.02 . 1 . . . . 267 ILE HB . 17346 1 124 . 1 1 20 20 ILE HG21 H 1 0.988 0.02 . 1 . . . . 267 ILE MG . 17346 1 125 . 1 1 20 20 ILE HG22 H 1 0.988 0.02 . 1 . . . . 267 ILE MG . 17346 1 126 . 1 1 20 20 ILE HG23 H 1 0.988 0.02 . 1 . . . . 267 ILE MG . 17346 1 127 . 1 1 20 20 ILE HD11 H 1 0.863 0.02 . 1 . . . . 267 ILE MD . 17346 1 128 . 1 1 20 20 ILE HD12 H 1 0.863 0.02 . 1 . . . . 267 ILE MD . 17346 1 129 . 1 1 20 20 ILE HD13 H 1 0.863 0.02 . 1 . . . . 267 ILE MD . 17346 1 130 . 1 1 21 21 LEU H H 1 8.729 0.02 . 1 . . . . 268 LEU H . 17346 1 131 . 1 1 21 21 LEU HA H 1 4.177 0.02 . 1 . . . . 268 LEU HA . 17346 1 132 . 1 1 21 21 LEU HB2 H 1 1.938 0.02 . 2 . . . . 268 LEU HB2 . 17346 1 133 . 1 1 21 21 LEU HB3 H 1 1.994 0.02 . 2 . . . . 268 LEU HB3 . 17346 1 134 . 1 1 21 21 LEU HG H 1 1.515 0.02 . 1 . . . . 268 LEU HG . 17346 1 135 . 1 1 21 21 LEU HD11 H 1 0.920 0.02 . 2 . . . . 268 LEU MD1 . 17346 1 136 . 1 1 21 21 LEU HD12 H 1 0.920 0.02 . 2 . . . . 268 LEU MD1 . 17346 1 137 . 1 1 21 21 LEU HD13 H 1 0.920 0.02 . 2 . . . . 268 LEU MD1 . 17346 1 138 . 1 1 21 21 LEU HD21 H 1 0.990 0.02 . 2 . . . . 268 LEU MD2 . 17346 1 139 . 1 1 21 21 LEU HD22 H 1 0.990 0.02 . 2 . . . . 268 LEU MD2 . 17346 1 140 . 1 1 21 21 LEU HD23 H 1 0.990 0.02 . 2 . . . . 268 LEU MD2 . 17346 1 141 . 1 1 22 22 ASN H H 1 8.302 0.02 . 1 . . . . 269 ASN H . 17346 1 142 . 1 1 22 22 ASN HA H 1 4.490 0.02 . 1 . . . . 269 ASN HA . 17346 1 143 . 1 1 22 22 ASN HB2 H 1 2.730 0.02 . 2 . . . . 269 ASN HB2 . 17346 1 144 . 1 1 22 22 ASN HB3 H 1 3.072 0.02 . 2 . . . . 269 ASN HB3 . 17346 1 145 . 1 1 22 22 ASN HD21 H 1 7.622 0.02 . 1 . . . . 269 ASN HD21 . 17346 1 146 . 1 1 22 22 ASN HD22 H 1 6.718 0.02 . 1 . . . . 269 ASN HD22 . 17346 1 147 . 1 1 23 23 HIS H H 1 8.312 0.02 . 1 . . . . 270 HIS H . 17346 1 148 . 1 1 23 23 HIS HA H 1 4.338 0.02 . 1 . . . . 270 HIS HA . 17346 1 149 . 1 1 23 23 HIS HB2 H 1 3.382 0.02 . 2 . . . . 270 HIS HB2 . 17346 1 150 . 1 1 23 23 HIS HB3 H 1 3.407 0.02 . 2 . . . . 270 HIS HB3 . 17346 1 151 . 1 1 23 23 HIS HD2 H 1 7.041 0.02 . 1 . . . . 270 HIS HD2 . 17346 1 152 . 1 1 23 23 HIS HE1 H 1 7.972 0.02 . 1 . . . . 270 HIS HE1 . 17346 1 153 . 1 1 24 24 MET H H 1 8.678 0.02 . 1 . . . . 271 MET H . 17346 1 154 . 1 1 24 24 MET HA H 1 4.161 0.02 . 1 . . . . 271 MET HA . 17346 1 155 . 1 1 24 24 MET HB2 H 1 2.175 0.02 . 2 . . . . 271 MET HB2 . 17346 1 156 . 1 1 24 24 MET HB3 H 1 2.348 0.02 . 2 . . . . 271 MET HB3 . 17346 1 157 . 1 1 24 24 MET HG2 H 1 2.628 0.02 . 2 . . . . 271 MET HG2 . 17346 1 158 . 1 1 24 24 MET HG3 H 1 2.829 0.02 . 2 . . . . 271 MET HG3 . 17346 1 159 . 1 1 25 25 LYS H H 1 8.513 0.02 . 1 . . . . 272 LYS H . 17346 1 160 . 1 1 25 25 LYS HA H 1 3.986 0.02 . 1 . . . . 272 LYS HA . 17346 1 161 . 1 1 25 25 LYS HB2 H 1 1.946 0.02 . 2 . . . . 272 LYS HB2 . 17346 1 162 . 1 1 25 25 LYS HB3 H 1 2.017 0.02 . 2 . . . . 272 LYS HB3 . 17346 1 163 . 1 1 25 25 LYS HG2 H 1 1.445 0.02 . 1 . . . . 272 LYS HG2 . 17346 1 164 . 1 1 25 25 LYS HG3 H 1 1.445 0.02 . 1 . . . . 272 LYS HG3 . 17346 1 165 . 1 1 25 25 LYS HD2 H 1 1.672 0.02 . 1 . . . . 272 LYS HD2 . 17346 1 166 . 1 1 25 25 LYS HD3 H 1 1.727 0.02 . 1 . . . . 272 LYS HD3 . 17346 1 167 . 1 1 26 26 ARG H H 1 7.884 0.02 . 1 . . . . 273 ARG H . 17346 1 168 . 1 1 26 26 ARG HA H 1 4.078 0.02 . 1 . . . . 273 ARG HA . 17346 1 169 . 1 1 26 26 ARG HB2 H 1 1.871 0.02 . 2 . . . . 273 ARG HB2 . 17346 1 170 . 1 1 26 26 ARG HB3 H 1 1.959 0.02 . 2 . . . . 273 ARG HB3 . 17346 1 171 . 1 1 26 26 ARG HG2 H 1 1.628 0.02 . 1 . . . . 273 ARG HG2 . 17346 1 172 . 1 1 26 26 ARG HG3 H 1 1.628 0.02 . 1 . . . . 273 ARG HG3 . 17346 1 173 . 1 1 27 27 ALA H H 1 8.283 0.02 . 1 . . . . 274 ALA H . 17346 1 174 . 1 1 27 27 ALA HA H 1 4.150 0.02 . 1 . . . . 274 ALA HA . 17346 1 175 . 1 1 27 27 ALA HB1 H 1 1.456 0.02 . 1 . . . . 274 ALA MB . 17346 1 176 . 1 1 27 27 ALA HB2 H 1 1.456 0.02 . 1 . . . . 274 ALA MB . 17346 1 177 . 1 1 27 27 ALA HB3 H 1 1.456 0.02 . 1 . . . . 274 ALA MB . 17346 1 178 . 1 1 28 28 THR H H 1 7.689 0.02 . 1 . . . . 275 THR H . 17346 1 179 . 1 1 28 28 THR HA H 1 4.381 0.02 . 1 . . . . 275 THR HA . 17346 1 180 . 1 1 28 28 THR HB H 1 4.249 0.02 . 1 . . . . 275 THR HB . 17346 1 181 . 1 1 28 28 THR HG21 H 1 1.365 0.02 . 1 . . . . 275 THR MG . 17346 1 182 . 1 1 28 28 THR HG22 H 1 1.365 0.02 . 1 . . . . 275 THR MG . 17346 1 183 . 1 1 28 28 THR HG23 H 1 1.365 0.02 . 1 . . . . 275 THR MG . 17346 1 184 . 1 1 29 29 GLN H H 1 7.753 0.02 . 1 . . . . 276 GLN H . 17346 1 185 . 1 1 29 29 GLN HA H 1 4.384 0.02 . 1 . . . . 276 GLN HA . 17346 1 186 . 1 1 29 29 GLN HB2 H 1 2.139 0.02 . 2 . . . . 276 GLN HB2 . 17346 1 187 . 1 1 29 29 GLN HB3 H 1 2.241 0.02 . 2 . . . . 276 GLN HB3 . 17346 1 188 . 1 1 29 29 GLN HG2 H 1 2.432 0.02 . 2 . . . . 276 GLN HG2 . 17346 1 189 . 1 1 29 29 GLN HG3 H 1 2.497 0.02 . 2 . . . . 276 GLN HG3 . 17346 1 190 . 1 1 29 29 GLN HE21 H 1 7.370 0.02 . 1 . . . . 276 GLN HE21 . 17346 1 191 . 1 1 29 29 GLN HE22 H 1 6.641 0.02 . 1 . . . . 276 GLN HE22 . 17346 1 192 . 1 1 30 30 ILE H H 1 7.759 0.02 . 1 . . . . 277 ILE H . 17346 1 193 . 1 1 30 30 ILE HA H 1 4.331 0.02 . 1 . . . . 277 ILE HA . 17346 1 194 . 1 1 30 30 ILE HB H 1 2.011 0.02 . 1 . . . . 277 ILE HB . 17346 1 195 . 1 1 30 30 ILE HG12 H 1 1.240 0.02 . 1 . . . . 277 ILE HG12 . 17346 1 196 . 1 1 30 30 ILE HG13 H 1 1.240 0.02 . 1 . . . . 277 ILE HG13 . 17346 1 197 . 1 1 30 30 ILE HG21 H 1 0.996 0.02 . 1 . . . . 277 ILE MG . 17346 1 198 . 1 1 30 30 ILE HG22 H 1 0.996 0.02 . 1 . . . . 277 ILE MG . 17346 1 199 . 1 1 30 30 ILE HG23 H 1 0.996 0.02 . 1 . . . . 277 ILE MG . 17346 1 200 . 1 1 30 30 ILE HD11 H 1 0.929 0.02 . 1 . . . . 277 ILE MD . 17346 1 201 . 1 1 30 30 ILE HD12 H 1 0.929 0.02 . 1 . . . . 277 ILE MD . 17346 1 202 . 1 1 30 30 ILE HD13 H 1 0.929 0.02 . 1 . . . . 277 ILE MD . 17346 1 203 . 1 1 31 31 PRO HA H 1 4.397 0.02 . 1 . . . . 278 PRO HA . 17346 1 204 . 1 1 31 31 PRO HB2 H 1 2.018 0.02 . 2 . . . . 278 PRO HB2 . 17346 1 205 . 1 1 31 31 PRO HB3 H 1 2.301 0.02 . 2 . . . . 278 PRO HB3 . 17346 1 206 . 1 1 31 31 PRO HD2 H 1 3.658 0.02 . 2 . . . . 278 PRO HD2 . 17346 1 207 . 1 1 31 31 PRO HD3 H 1 3.940 0.02 . 2 . . . . 278 PRO HD3 . 17346 1 208 . 1 1 32 32 SER H H 1 7.893 0.02 . 1 . . . . 279 SER H . 17346 1 209 . 1 1 32 32 SER HA H 1 4.333 0.02 . 1 . . . . 279 SER HA . 17346 1 210 . 1 1 32 32 SER HB2 H 1 3.870 0.02 . 2 . . . . 279 SER HB2 . 17346 1 211 . 1 1 32 32 SER HB3 H 1 3.976 0.02 . 2 . . . . 279 SER HB3 . 17346 1 212 . 1 1 33 33 TYR H H 1 7.895 0.02 . 1 . . . . 280 TYR H . 17346 1 213 . 1 1 33 33 TYR HA H 1 4.447 0.02 . 1 . . . . 280 TYR HA . 17346 1 214 . 1 1 33 33 TYR HB2 H 1 3.120 0.02 . 1 . . . . 280 TYR HB2 . 17346 1 215 . 1 1 33 33 TYR HB3 H 1 3.120 0.02 . 1 . . . . 280 TYR HB3 . 17346 1 216 . 1 1 33 33 TYR HD1 H 1 7.106 0.02 . 1 . . . . 280 TYR HD1 . 17346 1 217 . 1 1 33 33 TYR HD2 H 1 7.106 0.02 . 1 . . . . 280 TYR HD2 . 17346 1 218 . 1 1 33 33 TYR HE1 H 1 6.834 0.02 . 1 . . . . 280 TYR HE1 . 17346 1 219 . 1 1 33 33 TYR HE2 H 1 6.834 0.02 . 1 . . . . 280 TYR HE2 . 17346 1 220 . 1 1 34 34 LYS H H 1 7.834 0.02 . 1 . . . . 281 LYS H . 17346 1 221 . 1 1 34 34 LYS HA H 1 4.108 0.02 . 1 . . . . 281 LYS HA . 17346 1 222 . 1 1 34 34 LYS HB2 H 1 1.768 0.02 . 2 . . . . 281 LYS HB2 . 17346 1 223 . 1 1 34 34 LYS HB3 H 1 1.859 0.02 . 2 . . . . 281 LYS HB3 . 17346 1 224 . 1 1 34 34 LYS HG2 H 1 1.401 0.02 . 1 . . . . 281 LYS HG2 . 17346 1 225 . 1 1 34 34 LYS HG3 H 1 1.401 0.02 . 1 . . . . 281 LYS HG3 . 17346 1 226 . 1 1 34 34 LYS HD2 H 1 1.701 0.02 . 1 . . . . 281 LYS HD2 . 17346 1 227 . 1 1 34 34 LYS HD3 H 1 1.701 0.02 . 1 . . . . 281 LYS HD3 . 17346 1 228 . 1 1 35 35 LYS H H 1 7.716 0.02 . 1 . . . . 282 LYS H . 17346 1 229 . 1 1 35 35 LYS HA H 1 4.239 0.02 . 1 . . . . 282 LYS HA . 17346 1 230 . 1 1 35 35 LYS HB2 H 1 1.855 0.02 . 2 . . . . 282 LYS HB2 . 17346 1 231 . 1 1 35 35 LYS HB3 H 1 1.915 0.02 . 2 . . . . 282 LYS HB3 . 17346 1 232 . 1 1 35 35 LYS HG2 H 1 1.469 0.02 . 2 . . . . 282 LYS HG2 . 17346 1 233 . 1 1 35 35 LYS HG3 H 1 1.520 0.02 . 2 . . . . 282 LYS HG3 . 17346 1 234 . 1 1 36 36 LEU H H 1 7.779 0.02 . 1 . . . . 283 LEU H . 17346 1 235 . 1 1 36 36 LEU HA H 1 4.324 0.02 . 1 . . . . 283 LEU HA . 17346 1 236 . 1 1 36 36 LEU HB2 H 1 1.697 0.02 . 2 . . . . 283 LEU HB2 . 17346 1 237 . 1 1 36 36 LEU HB3 H 1 1.769 0.02 . 2 . . . . 283 LEU HB3 . 17346 1 238 . 1 1 36 36 LEU HG H 1 1.636 0.02 . 1 . . . . 283 LEU HG . 17346 1 239 . 1 1 36 36 LEU HD11 H 1 0.891 0.02 . 2 . . . . 283 LEU MD1 . 17346 1 240 . 1 1 36 36 LEU HD12 H 1 0.891 0.02 . 2 . . . . 283 LEU MD1 . 17346 1 241 . 1 1 36 36 LEU HD13 H 1 0.891 0.02 . 2 . . . . 283 LEU MD1 . 17346 1 242 . 1 1 36 36 LEU HD21 H 1 0.950 0.02 . 2 . . . . 283 LEU MD2 . 17346 1 243 . 1 1 36 36 LEU HD22 H 1 0.950 0.02 . 2 . . . . 283 LEU MD2 . 17346 1 244 . 1 1 36 36 LEU HD23 H 1 0.950 0.02 . 2 . . . . 283 LEU MD2 . 17346 1 245 . 1 1 37 37 ILE H H 1 7.562 0.02 . 1 . . . . 284 ILE H . 17346 1 246 . 1 1 37 37 ILE HA H 1 4.198 0.02 . 1 . . . . 284 ILE HA . 17346 1 247 . 1 1 37 37 ILE HB H 1 1.909 0.02 . 1 . . . . 284 ILE HB . 17346 1 248 . 1 1 37 37 ILE HG12 H 1 1.204 0.02 . 2 . . . . 284 ILE HG12 . 17346 1 249 . 1 1 37 37 ILE HG13 H 1 1.472 0.02 . 2 . . . . 284 ILE HG13 . 17346 1 250 . 1 1 37 37 ILE HD11 H 1 0.871 0.02 . 1 . . . . 284 ILE MD . 17346 1 251 . 1 1 37 37 ILE HD12 H 1 0.871 0.02 . 1 . . . . 284 ILE MD . 17346 1 252 . 1 1 37 37 ILE HD13 H 1 0.871 0.02 . 1 . . . . 284 ILE MD . 17346 1 253 . 1 1 38 38 MET H H 1 7.872 0.02 . 1 . . . . 285 MET H . 17346 1 254 . 1 1 38 38 MET HA H 1 4.466 0.02 . 1 . . . . 285 MET HA . 17346 1 255 . 1 1 38 38 MET HB2 H 1 1.966 0.02 . 2 . . . . 285 MET HB2 . 17346 1 256 . 1 1 38 38 MET HB3 H 1 2.070 0.02 . 2 . . . . 285 MET HB3 . 17346 1 257 . 1 1 38 38 MET HG2 H 1 2.466 0.02 . 2 . . . . 285 MET HG2 . 17346 1 258 . 1 1 38 38 MET HG3 H 1 2.541 0.02 . 2 . . . . 285 MET HG3 . 17346 1 259 . 1 1 39 39 TYR H H 1 7.390 0.02 . 1 . . . . 286 TYR H . 17346 1 260 . 1 1 39 39 TYR HA H 1 4.416 0.02 . 1 . . . . 286 TYR HA . 17346 1 261 . 1 1 39 39 TYR HB2 H 1 2.965 0.02 . 2 . . . . 286 TYR HB2 . 17346 1 262 . 1 1 39 39 TYR HB3 H 1 3.112 0.02 . 2 . . . . 286 TYR HB3 . 17346 1 263 . 1 1 39 39 TYR HD1 H 1 7.126 0.02 . 1 . . . . 286 TYR HD1 . 17346 1 264 . 1 1 39 39 TYR HD2 H 1 7.126 0.02 . 1 . . . . 286 TYR HD2 . 17346 1 265 . 1 1 39 39 TYR HE1 H 1 6.832 0.02 . 1 . . . . 286 TYR HE1 . 17346 1 266 . 1 1 39 39 TYR HE2 H 1 6.832 0.02 . 1 . . . . 286 TYR HE2 . 17346 1 stop_ save_