################################### # 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 11064 _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 DREAM 1 $sample_1 solid 11064 1 2 TOBSY 1 $sample_1 solid 11064 1 3 'PDSD No1' 1 $sample_1 solid 11064 1 4 NCA 1 $sample_1 solid 11064 1 5 NCO 1 $sample_1 solid 11064 1 6 N(CO)CA 1 $sample_1 solid 11064 1 7 N(CO)CB 1 $sample_1 solid 11064 1 8 N(CA)CO 1 $sample_1 solid 11064 1 9 CA-CA 1 $sample_1 solid 11064 1 10 'PDSD No2' 2 $sample_2 solid 11064 1 11 'PDSD No3' 3 $sample_3 solid 11064 1 12 DQSQ 3 $sample_3 solid 11064 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 6 6 ILE C C 13 175.1 0.2 . 1 . . . . 222 ILE C . 11064 1 2 . 1 1 6 6 ILE CA C 13 62 0.2 . 1 . . . . 222 ILE CA . 11064 1 3 . 1 1 6 6 ILE CB C 13 38.3 0.2 . 1 . . . . 222 ILE CB . 11064 1 4 . 1 1 6 6 ILE CG1 C 13 27.5 0.2 . 1 . . . . 222 ILE CG1 . 11064 1 5 . 1 1 6 6 ILE CG2 C 13 18.7 0.2 . 1 . . . . 222 ILE CG2 . 11064 1 6 . 1 1 6 6 ILE CD1 C 13 13 0.2 . 1 . . . . 222 ILE CD1 . 11064 1 7 . 1 1 6 6 ILE N N 15 128.9 0.2 . 9 . . . . 222 ILE N . 11064 1 8 . 1 1 7 7 VAL C C 13 175.95 0.2 . 9 . . . . 223 VAL C . 11064 1 9 . 1 1 7 7 VAL CA C 13 59.1 0.2 . 1 . . . . 223 VAL CA . 11064 1 10 . 1 1 7 7 VAL CB C 13 32.4 0.2 . 1 . . . . 223 VAL CB . 11064 1 11 . 1 1 7 7 VAL CG1 C 13 22.2 0.2 . 9 . . . . 223 VAL CG1 . 11064 1 12 . 1 1 7 7 VAL CG2 C 13 19.7 0.2 . 9 . . . . 223 VAL CG2 . 11064 1 13 . 1 1 7 7 VAL N N 15 125.4 0.2 . 1 . . . . 223 VAL N . 11064 1 14 . 1 1 8 8 GLY C C 13 178.5 0.2 . 9 . . . . 224 GLY C . 11064 1 15 . 1 1 8 8 GLY CA C 13 43.8 0.2 . 9 . . . . 224 GLY CA . 11064 1 16 . 1 1 8 8 GLY N N 15 109.8 0.2 . 9 . . . . 224 GLY N . 11064 1 17 . 1 1 9 9 ARG C C 13 173.9 0.2 . 1 . . . A 225 ARG C . 11064 1 18 . 1 1 9 9 ARG CA C 13 54.7 0.2 . 9 . . . A 225 ARG CA . 11064 1 19 . 1 1 9 9 ARG CZ C 13 159.4 0.2 . 5 . . . A 225 ARG CZ . 11064 1 20 . 1 1 9 9 ARG N N 15 118.4 0.2 . 9 . . . A 225 ARG N . 11064 1 21 . 1 1 10 10 ASN C C 13 174.7 0.2 . 1 . . . A 226 ASN C . 11064 1 22 . 1 1 10 10 ASN CA C 13 52.1 0.2 . 1 . . . A 226 ASN CA . 11064 1 23 . 1 1 10 10 ASN CB C 13 39.9 0.2 . 1 . . . A 226 ASN CB . 11064 1 24 . 1 1 10 10 ASN CG C 13 177.4 0.2 . 1 . . . A 226 ASN CG . 11064 1 25 . 1 1 10 10 ASN N N 15 125.9 0.2 . 1 . . . A 226 ASN N . 11064 1 26 . 1 1 10 10 ASN ND2 N 15 115.4 0.2 . 1 . . . A 226 ASN ND2 . 11064 1 27 . 1 1 11 11 SER C C 13 171.9 0.2 . 1 . . . A 227 SER C . 11064 1 28 . 1 1 11 11 SER CA C 13 56.8 0.2 . 1 . . . A 227 SER CA . 11064 1 29 . 1 1 11 11 SER CB C 13 67.2 0.2 . 1 . . . A 227 SER CB . 11064 1 30 . 1 1 11 11 SER N N 15 119.3 0.2 . 1 . . . A 227 SER N . 11064 1 31 . 1 1 12 12 ALA C C 13 176.9 0.2 . 1 . . . A 228 ALA C . 11064 1 32 . 1 1 12 12 ALA CA C 13 49.5 0.2 . 1 . . . A 228 ALA CA . 11064 1 33 . 1 1 12 12 ALA CB C 13 23.9 0.2 . 1 . . . A 228 ALA CB . 11064 1 34 . 1 1 12 12 ALA N N 15 122.9 0.2 . 1 . . . A 228 ALA N . 11064 1 35 . 1 1 13 13 LYS C C 13 175.2 0.2 . 1 . . . A 229 LYS C . 11064 1 36 . 1 1 13 13 LYS CA C 13 59.9 0.2 . 1 . . . A 229 LYS CA . 11064 1 37 . 1 1 13 13 LYS CB C 13 32.7 0.2 . 1 . . . A 229 LYS CB . 11064 1 38 . 1 1 13 13 LYS CG C 13 25.5 0.2 . 1 . . . A 229 LYS CG . 11064 1 39 . 1 1 13 13 LYS CD C 13 29.7 0.2 . 1 . . . A 229 LYS CD . 11064 1 40 . 1 1 13 13 LYS CE C 13 42.2 0.2 . 1 . . . A 229 LYS CE . 11064 1 41 . 1 1 13 13 LYS N N 15 123.4 0.2 . 1 . . . A 229 LYS N . 11064 1 42 . 1 1 14 14 ASP C C 13 174.4 0.2 . 1 . . . A 230 ASP C . 11064 1 43 . 1 1 14 14 ASP CA C 13 53.2 0.2 . 1 . . . A 230 ASP CA . 11064 1 44 . 1 1 14 14 ASP CB C 13 45.1 0.2 . 1 . . . A 230 ASP CB . 11064 1 45 . 1 1 14 14 ASP CG C 13 179.7 0.2 . 1 . . . A 230 ASP CG . 11064 1 46 . 1 1 14 14 ASP N N 15 118 0.2 . 1 . . . A 230 ASP N . 11064 1 47 . 1 1 15 15 ILE C C 13 174.6 0.2 . 1 . . . A 231 ILE C . 11064 1 48 . 1 1 15 15 ILE CA C 13 60.9 0.2 . 1 . . . A 231 ILE CA . 11064 1 49 . 1 1 15 15 ILE CB C 13 41.8 0.2 . 1 . . . A 231 ILE CB . 11064 1 50 . 1 1 15 15 ILE CG1 C 13 27.6 0.2 . 1 . . . A 231 ILE CG1 . 11064 1 51 . 1 1 15 15 ILE CG2 C 13 17.7 0.2 . 1 . . . A 231 ILE CG2 . 11064 1 52 . 1 1 15 15 ILE CD1 C 13 14.2 0.2 . 1 . . . A 231 ILE CD1 . 11064 1 53 . 1 1 15 15 ILE N N 15 122.9 0.2 . 1 . . . A 231 ILE N . 11064 1 54 . 1 1 16 16 ARG C C 13 175.5 0.2 . 1 . . . A 232 ARG C . 11064 1 55 . 1 1 16 16 ARG CA C 13 54.3 0.2 . 1 . . . A 232 ARG CA . 11064 1 56 . 1 1 16 16 ARG CB C 13 33.1 0.2 . 1 . . . A 232 ARG CB . 11064 1 57 . 1 1 16 16 ARG CZ C 13 159.4 0.2 . 5 . . . A 232 ARG CZ . 11064 1 58 . 1 1 16 16 ARG N N 15 130.1 0.2 . 1 . . . A 232 ARG N . 11064 1 59 . 1 1 17 17 THR C C 13 174.5 0.2 . 1 . . . A 233 THR C . 11064 1 60 . 1 1 17 17 THR CA C 13 59.6 0.2 . 1 . . . A 233 THR CA . 11064 1 61 . 1 1 17 17 THR CB C 13 71.8 0.2 . 1 . . . A 233 THR CB . 11064 1 62 . 1 1 17 17 THR CG2 C 13 23.8 0.2 . 1 . . . A 233 THR CG2 . 11064 1 63 . 1 1 17 17 THR N N 15 113.6 0.2 . 1 . . . A 233 THR N . 11064 1 64 . 1 1 18 18 GLU C C 13 173.8 0.2 . 1 . . . A 234 GLU C . 11064 1 65 . 1 1 18 18 GLU CA C 13 53.8 0.2 . 1 . . . A 234 GLU CA . 11064 1 66 . 1 1 18 18 GLU CB C 13 33.9 0.2 . 1 . . . A 234 GLU CB . 11064 1 67 . 1 1 18 18 GLU CG C 13 35.9 0.2 . 1 . . . A 234 GLU CG . 11064 1 68 . 1 1 18 18 GLU CD C 13 182.9 0.2 . 1 . . . A 234 GLU CD . 11064 1 69 . 1 1 18 18 GLU N N 15 120.3 0.2 . 1 . . . A 234 GLU N . 11064 1 70 . 1 1 19 19 GLU C C 13 174.2 0.2 . 1 . . . A 235 GLU C . 11064 1 71 . 1 1 19 19 GLU CA C 13 58.7 0.2 . 1 . . . A 235 GLU CA . 11064 1 72 . 1 1 19 19 GLU CB C 13 27.5 0.2 . 1 . . . A 235 GLU CB . 11064 1 73 . 1 1 19 19 GLU CG C 13 38.5 0.2 . 1 . . . A 235 GLU CG . 11064 1 74 . 1 1 19 19 GLU CD C 13 184.8 0.2 . 1 . . . A 235 GLU CD . 11064 1 75 . 1 1 19 19 GLU N N 15 117.5 0.2 . 1 . . . A 235 GLU N . 11064 1 76 . 1 1 20 20 ARG C C 13 176.3 0.2 . 1 . . . A 236 ARG C . 11064 1 77 . 1 1 20 20 ARG CA C 13 54.8 0.2 . 1 . . . A 236 ARG CA . 11064 1 78 . 1 1 20 20 ARG CB C 13 30.7 0.2 . 1 . . . A 236 ARG CB . 11064 1 79 . 1 1 20 20 ARG CG C 13 28.4 0.2 . 1 . . . A 236 ARG CG . 11064 1 80 . 1 1 20 20 ARG CD C 13 43.9 0.2 . 1 . . . A 236 ARG CD . 11064 1 81 . 1 1 20 20 ARG CZ C 13 159.4 0.2 . 5 . . . A 236 ARG CZ . 11064 1 82 . 1 1 20 20 ARG N N 15 123 0.2 . 1 . . . A 236 ARG N . 11064 1 83 . 1 1 20 20 ARG NE N 15 85.2 0.2 . 1 . . . A 236 ARG NE . 11064 1 84 . 1 1 21 21 ALA C C 13 176.1 0.2 . 1 . . . A 237 ALA C . 11064 1 85 . 1 1 21 21 ALA CA C 13 53.2 0.2 . 1 . . . A 237 ALA CA . 11064 1 86 . 1 1 21 21 ALA CB C 13 19.9 0.2 . 1 . . . A 237 ALA CB . 11064 1 87 . 1 1 21 21 ALA N N 15 126 0.2 . 1 . . . A 237 ALA N . 11064 1 88 . 1 1 22 22 ARG C C 13 174.7 0.2 . 1 . . . A 238 ARG C . 11064 1 89 . 1 1 22 22 ARG CA C 13 54.7 0.2 . 1 . . . A 238 ARG CA . 11064 1 90 . 1 1 22 22 ARG CB C 13 35.4 0.2 . 1 . . . A 238 ARG CB . 11064 1 91 . 1 1 22 22 ARG CG C 13 26.1 0.2 . 1 . . . A 238 ARG CG . 11064 1 92 . 1 1 22 22 ARG CD C 13 41.2 0.2 . 1 . . . A 238 ARG CD . 11064 1 93 . 1 1 22 22 ARG CZ C 13 159.4 0.2 . 5 . . . A 238 ARG CZ . 11064 1 94 . 1 1 22 22 ARG N N 15 118.4 0.2 . 1 . . . A 238 ARG N . 11064 1 95 . 1 1 23 23 VAL C C 13 173.2 0.2 . 1 . . . A 239 VAL C . 11064 1 96 . 1 1 23 23 VAL CA C 13 60 0.2 . 1 . . . A 239 VAL CA . 11064 1 97 . 1 1 23 23 VAL CB C 13 37 0.2 . 1 . . . A 239 VAL CB . 11064 1 98 . 1 1 23 23 VAL CG1 C 13 20.9 0.2 . 1 . . . A 239 VAL CG1 . 11064 1 99 . 1 1 23 23 VAL CG2 C 13 22.4 0.2 . 1 . . . A 239 VAL CG2 . 11064 1 100 . 1 1 23 23 VAL N N 15 123 0.2 . 1 . . . A 239 VAL N . 11064 1 101 . 1 1 24 24 GLN C C 13 173.2 0.2 . 1 . . . A 240 GLN C . 11064 1 102 . 1 1 24 24 GLN CA C 13 52.8 0.2 . 1 . . . A 240 GLN CA . 11064 1 103 . 1 1 24 24 GLN CB C 13 33 0.2 . 1 . . . A 240 GLN CB . 11064 1 104 . 1 1 24 24 GLN CG C 13 31.6 0.2 . 1 . . . A 240 GLN CG . 11064 1 105 . 1 1 24 24 GLN CD C 13 175.7 0.2 . 1 . . . A 240 GLN CD . 11064 1 106 . 1 1 24 24 GLN N N 15 126.9 0.2 . 1 . . . A 240 GLN N . 11064 1 107 . 1 1 24 24 GLN NE2 N 15 104.6 0.2 . 1 . . . A 240 GLN NE2 . 11064 1 108 . 1 1 25 25 LEU C C 13 172.7 0.2 . 1 . . . A 241 LEU C . 11064 1 109 . 1 1 25 25 LEU CA C 13 52.8 0.2 . 1 . . . A 241 LEU CA . 11064 1 110 . 1 1 25 25 LEU CB C 13 44.8 0.2 . 1 . . . A 241 LEU CB . 11064 1 111 . 1 1 25 25 LEU CG C 13 27.7 0.2 . 1 . . . A 241 LEU CG . 11064 1 112 . 1 1 25 25 LEU CD1 C 13 27.1 0.2 . 1 . . . A 241 LEU CD1 . 11064 1 113 . 1 1 25 25 LEU CD2 C 13 28.1 0.2 . 1 . . . A 241 LEU CD2 . 11064 1 114 . 1 1 25 25 LEU N N 15 131.6 0.2 . 1 . . . A 241 LEU N . 11064 1 115 . 1 1 26 26 GLY C C 13 170.8 0.2 . 1 . . . A 242 GLY C . 11064 1 116 . 1 1 26 26 GLY CA C 13 43.8 0.2 . 1 . . . A 242 GLY CA . 11064 1 117 . 1 1 26 26 GLY N N 15 113.9 0.2 . 1 . . . A 242 GLY N . 11064 1 118 . 1 1 27 27 ASN C C 13 176.1 0.2 . 1 . . . A 243 ASN C . 11064 1 119 . 1 1 27 27 ASN CA C 13 51.3 0.2 . 1 . . . A 243 ASN CA . 11064 1 120 . 1 1 27 27 ASN CB C 13 40.1 0.2 . 1 . . . A 243 ASN CB . 11064 1 121 . 1 1 27 27 ASN CG C 13 176.1 0.2 . 1 . . . A 243 ASN CG . 11064 1 122 . 1 1 27 27 ASN N N 15 110.2 0.2 . 1 . . . A 243 ASN N . 11064 1 123 . 1 1 28 28 VAL C C 13 174.5 0.2 . 1 . . . A 244 VAL C . 11064 1 124 . 1 1 28 28 VAL CA C 13 62.1 0.2 . 1 . . . A 244 VAL CA . 11064 1 125 . 1 1 28 28 VAL CB C 13 34.4 0.2 . 1 . . . A 244 VAL CB . 11064 1 126 . 1 1 28 28 VAL CG1 C 13 22.1 0.2 . 1 . . . A 244 VAL CG1 . 11064 1 127 . 1 1 28 28 VAL CG2 C 13 24.7 0.2 . 1 . . . A 244 VAL CG2 . 11064 1 128 . 1 1 28 28 VAL N N 15 123.1 0.2 . 1 . . . A 244 VAL N . 11064 1 129 . 1 1 29 29 VAL C C 13 175.2 0.2 . 1 . . . A 245 VAL C . 11064 1 130 . 1 1 29 29 VAL CA C 13 61.1 0.2 . 1 . . . A 245 VAL CA . 11064 1 131 . 1 1 29 29 VAL CB C 13 32.2 0.2 . 1 . . . A 245 VAL CB . 11064 1 132 . 1 1 29 29 VAL CG1 C 13 22.5 0.2 . 1 . . . A 245 VAL CG1 . 11064 1 133 . 1 1 29 29 VAL CG2 C 13 20.3 0.2 . 1 . . . A 245 VAL CG2 . 11064 1 134 . 1 1 29 29 VAL N N 15 129.2 0.2 . 1 . . . A 245 VAL N . 11064 1 135 . 1 1 30 30 THR C C 13 175.3 0.2 . 1 . . . A 246 THR C . 11064 1 136 . 1 1 30 30 THR CA C 13 62.4 0.2 . 1 . . . A 246 THR CA . 11064 1 137 . 1 1 30 30 THR CB C 13 70.9 0.2 . 1 . . . A 246 THR CB . 11064 1 138 . 1 1 30 30 THR CG2 C 13 20.8 0.2 . 1 . . . A 246 THR CG2 . 11064 1 139 . 1 1 30 30 THR N N 15 116.7 0.2 . 1 . . . A 246 THR N . 11064 1 140 . 1 1 31 31 ALA C C 13 179.2 0.2 . 1 . . . A 247 ALA C . 11064 1 141 . 1 1 31 31 ALA CA C 13 56.2 0.2 . 1 . . . A 247 ALA CA . 11064 1 142 . 1 1 31 31 ALA CB C 13 17.1 0.2 . 1 . . . A 247 ALA CB . 11064 1 143 . 1 1 31 31 ALA N N 15 121.4 0.2 . 1 . . . A 247 ALA N . 11064 1 144 . 1 1 32 32 ALA C C 13 179.3 0.2 . 1 . . . A 248 ALA C . 11064 1 145 . 1 1 32 32 ALA CA C 13 55.1 0.2 . 1 . . . A 248 ALA CA . 11064 1 146 . 1 1 32 32 ALA CB C 13 18.4 0.2 . 1 . . . A 248 ALA CB . 11064 1 147 . 1 1 32 32 ALA N N 15 119.5 0.2 . 1 . . . A 248 ALA N . 11064 1 148 . 1 1 33 33 ALA C C 13 178.2 0.2 . 9 . . . A 249 ALA C . 11064 1 149 . 1 1 33 33 ALA CA C 13 53.9 0.2 . 1 . . . A 249 ALA CA . 11064 1 150 . 1 1 33 33 ALA CB C 13 19.1 0.2 . 1 . . . A 249 ALA CB . 11064 1 151 . 1 1 33 33 ALA N N 15 120.9 0.2 . 1 . . . A 249 ALA N . 11064 1 152 . 1 1 34 34 LEU C C 13 178.6 0.2 . 9 . . . A 250 LEU C . 11064 1 153 . 1 1 34 34 LEU CA C 13 58.4 0.2 . 9 . . . A 250 LEU CA . 11064 1 154 . 1 1 34 34 LEU CB C 13 41.5 0.2 . 9 . . . A 250 LEU CB . 11064 1 155 . 1 1 34 34 LEU CG C 13 26.3 0.2 . 9 . . . A 250 LEU CG . 11064 1 156 . 1 1 34 34 LEU CD1 C 13 23.3 0.2 . 9 . . . A 250 LEU CD1 . 11064 1 157 . 1 1 34 34 LEU CD2 C 13 26.3 0.2 . 9 . . . A 250 LEU CD2 . 11064 1 158 . 1 1 34 34 LEU N N 15 120.9 0.2 . 9 . . . A 250 LEU N . 11064 1 159 . 1 1 43 43 GLN CA C 13 55 0.2 . 9 . . . A 259 GLN CA . 11064 1 160 . 1 1 43 43 GLN CG C 13 34.3 0.2 . 9 . . . A 259 GLN CG . 11064 1 161 . 1 1 43 43 GLN CD C 13 180.3 0.2 . 9 . . . A 259 GLN CD . 11064 1 162 . 1 1 43 43 GLN NE2 N 15 110.8 0.2 . 9 . . . A 259 GLN NE2 . 11064 1 163 . 1 1 44 44 THR C C 13 175.2 0.2 . 1 . . . A 260 THR C . 11064 1 164 . 1 1 44 44 THR CA C 13 66.2 0.2 . 1 . . . A 260 THR CA . 11064 1 165 . 1 1 44 44 THR CB C 13 69.9 0.2 . 1 . . . A 260 THR CB . 11064 1 166 . 1 1 44 44 THR CG2 C 13 22.1 0.2 . 1 . . . A 260 THR CG2 . 11064 1 167 . 1 1 44 44 THR N N 15 122.8 0.2 . 1 . . . A 260 THR N . 11064 1 168 . 1 1 45 45 THR C C 13 172.4 0.2 . 1 . . . A 261 THR C . 11064 1 169 . 1 1 45 45 THR CA C 13 61.2 0.2 . 1 . . . A 261 THR CA . 11064 1 170 . 1 1 45 45 THR CB C 13 70.8 0.2 . 1 . . . A 261 THR CB . 11064 1 171 . 1 1 45 45 THR CG2 C 13 21.2 0.2 . 1 . . . A 261 THR CG2 . 11064 1 172 . 1 1 45 45 THR N N 15 124.1 0.2 . 1 . . . A 261 THR N . 11064 1 173 . 1 1 46 46 ASN C C 13 174.7 0.2 . 1 . . . A 262 ASN C . 11064 1 174 . 1 1 46 46 ASN CA C 13 52.4 0.2 . 1 . . . A 262 ASN CA . 11064 1 175 . 1 1 46 46 ASN CB C 13 41 0.2 . 1 . . . A 262 ASN CB . 11064 1 176 . 1 1 46 46 ASN CG C 13 176.5 0.2 . 1 . . . A 262 ASN CG . 11064 1 177 . 1 1 46 46 ASN N N 15 128.1 0.2 . 1 . . . A 262 ASN N . 11064 1 178 . 1 1 46 46 ASN ND2 N 15 113.5 0.2 . 1 . . . A 262 ASN ND2 . 11064 1 179 . 1 1 47 47 SER C C 13 171.6 0.2 . 1 . . . A 263 SER C . 11064 1 180 . 1 1 47 47 SER CA C 13 56.5 0.2 . 1 . . . A 263 SER CA . 11064 1 181 . 1 1 47 47 SER CB C 13 66.1 0.2 . 1 . . . A 263 SER CB . 11064 1 182 . 1 1 47 47 SER N N 15 117.7 0.2 . 1 . . . A 263 SER N . 11064 1 183 . 1 1 48 48 VAL C C 13 174.5 0.2 . 1 . . . A 264 VAL C . 11064 1 184 . 1 1 48 48 VAL CA C 13 57.1 0.2 . 1 . . . A 264 VAL CA . 11064 1 185 . 1 1 48 48 VAL CB C 13 35.6 0.2 . 1 . . . A 264 VAL CB . 11064 1 186 . 1 1 48 48 VAL CG1 C 13 20.7 0.2 . 1 . . . A 264 VAL CG1 . 11064 1 187 . 1 1 48 48 VAL CG2 C 13 23.1 0.2 . 1 . . . A 264 VAL CG2 . 11064 1 188 . 1 1 48 48 VAL N N 15 125.5 0.2 . 1 . . . A 264 VAL N . 11064 1 189 . 1 1 49 49 GLU C C 13 175.9 0.2 . 1 . . . A 265 GLU C . 11064 1 190 . 1 1 49 49 GLU CA C 13 59.5 0.2 . 1 . . . A 265 GLU CA . 11064 1 191 . 1 1 49 49 GLU CB C 13 29.5 0.2 . 1 . . . A 265 GLU CB . 11064 1 192 . 1 1 49 49 GLU CG C 13 37.2 0.2 . 1 . . . A 265 GLU CG . 11064 1 193 . 1 1 49 49 GLU CD C 13 183.6 0.2 . 1 . . . A 265 GLU CD . 11064 1 194 . 1 1 49 49 GLU N N 15 127.4 0.2 . 1 . . . A 265 GLU N . 11064 1 195 . 1 1 50 50 THR C C 13 172.9 0.2 . 1 . . . A 266 THR C . 11064 1 196 . 1 1 50 50 THR CA C 13 60.9 0.2 . 1 . . . A 266 THR CA . 11064 1 197 . 1 1 50 50 THR CB C 13 71.6 0.2 . 1 . . . A 266 THR CB . 11064 1 198 . 1 1 50 50 THR CG2 C 13 22.3 0.2 . 1 . . . A 266 THR CG2 . 11064 1 199 . 1 1 50 50 THR N N 15 113.1 0.2 . 1 . . . A 266 THR N . 11064 1 200 . 1 1 51 51 VAL C C 13 175.3 0.2 . 1 . . . A 267 VAL C . 11064 1 201 . 1 1 51 51 VAL CA C 13 60.7 0.2 . 1 . . . A 267 VAL CA . 11064 1 202 . 1 1 51 51 VAL CB C 13 35.6 0.2 . 1 . . . A 267 VAL CB . 11064 1 203 . 1 1 51 51 VAL CG1 C 13 21.4 0.2 . 1 . . . A 267 VAL CG1 . 11064 1 204 . 1 1 51 51 VAL CG2 C 13 22.8 0.2 . 1 . . . A 267 VAL CG2 . 11064 1 205 . 1 1 51 51 VAL N N 15 124.3 0.2 . 1 . . . A 267 VAL N . 11064 1 206 . 1 1 52 52 VAL C C 13 175.1 0.2 . 1 . . . A 268 VAL C . 11064 1 207 . 1 1 52 52 VAL CA C 13 61.2 0.2 . 1 . . . A 268 VAL CA . 11064 1 208 . 1 1 52 52 VAL CB C 13 34.2 0.2 . 1 . . . A 268 VAL CB . 11064 1 209 . 1 1 52 52 VAL CG1 C 13 20.9 0.2 . 1 . . . A 268 VAL CG1 . 11064 1 210 . 1 1 52 52 VAL CG2 C 13 20.9 0.2 . 1 . . . A 268 VAL CG2 . 11064 1 211 . 1 1 52 52 VAL N N 15 128.7 0.2 . 1 . . . A 268 VAL N . 11064 1 212 . 1 1 53 53 GLY C C 13 172.1 0.2 . 1 . . . A 269 GLY C . 11064 1 213 . 1 1 53 53 GLY CA C 13 44.6 0.2 . 1 . . . A 269 GLY CA . 11064 1 214 . 1 1 53 53 GLY N N 15 113.6 0.2 . 1 . . . A 269 GLY N . 11064 1 215 . 1 1 54 54 LYS C C 13 176.7 0.2 . 1 . . . A 270 LYS C . 11064 1 216 . 1 1 54 54 LYS CA C 13 54.3 0.2 . 1 . . . A 270 LYS CA . 11064 1 217 . 1 1 54 54 LYS CB C 13 35.3 0.2 . 1 . . . A 270 LYS CB . 11064 1 218 . 1 1 54 54 LYS CG C 13 24.3 0.2 . 1 . . . A 270 LYS CG . 11064 1 219 . 1 1 54 54 LYS CD C 13 29.7 0.2 . 1 . . . A 270 LYS CD . 11064 1 220 . 1 1 54 54 LYS CE C 13 41.7 0.2 . 1 . . . A 270 LYS CE . 11064 1 221 . 1 1 54 54 LYS N N 15 121.8 0.2 . 1 . . . A 270 LYS N . 11064 1 222 . 1 1 54 54 LYS NZ N 15 33.9 0.2 . 1 . . . A 270 LYS NZ . 11064 1 223 . 1 1 55 55 GLY C C 13 172.1 0.2 . 1 . . . A 271 GLY C . 11064 1 224 . 1 1 55 55 GLY CA C 13 48.5 0.2 . 1 . . . A 271 GLY CA . 11064 1 225 . 1 1 55 55 GLY N N 15 115.8 0.2 . 1 . . . A 271 GLY N . 11064 1 226 . 1 1 56 56 GLU C C 13 176.4 0.2 . 1 . . . A 272 GLU C . 11064 1 227 . 1 1 56 56 GLU CA C 13 54.2 0.2 . 1 . . . A 272 GLU CA . 11064 1 228 . 1 1 56 56 GLU CB C 13 30 0.2 . 1 . . . A 272 GLU CB . 11064 1 229 . 1 1 56 56 GLU CG C 13 37.3 0.2 . 1 . . . A 272 GLU CG . 11064 1 230 . 1 1 56 56 GLU CD C 13 184.9 0.2 . 1 . . . A 272 GLU CD . 11064 1 231 . 1 1 56 56 GLU N N 15 128.8 0.2 . 1 . . . A 272 GLU N . 11064 1 232 . 1 1 57 57 SER C C 13 173.5 0.2 . 1 . . . A 273 SER C . 11064 1 233 . 1 1 57 57 SER CA C 13 59.3 0.2 . 1 . . . A 273 SER CA . 11064 1 234 . 1 1 57 57 SER CB C 13 66.8 0.2 . 1 . . . A 273 SER CB . 11064 1 235 . 1 1 57 57 SER N N 15 116.6 0.2 . 1 . . . A 273 SER N . 11064 1 236 . 1 1 58 58 ARG C C 13 175.6 0.2 . 1 . . . A 274 ARG C . 11064 1 237 . 1 1 58 58 ARG CA C 13 54.9 0.2 . 1 . . . A 274 ARG CA . 11064 1 238 . 1 1 58 58 ARG CB C 13 32.9 0.2 . 1 . . . A 274 ARG CB . 11064 1 239 . 1 1 58 58 ARG CG C 13 27.9 0.2 . 1 . . . A 274 ARG CG . 11064 1 240 . 1 1 58 58 ARG CD C 13 43.8 0.2 . 1 . . . A 274 ARG CD . 11064 1 241 . 1 1 58 58 ARG CZ C 13 159.4 0.2 . 5 . . . A 274 ARG CZ . 11064 1 242 . 1 1 58 58 ARG N N 15 118.1 0.2 . 1 . . . A 274 ARG N . 11064 1 243 . 1 1 58 58 ARG NE N 15 86.8 0.2 . 1 . . . A 274 ARG NE . 11064 1 244 . 1 1 59 59 VAL C C 13 172.9 0.2 . 1 . . . A 275 VAL C . 11064 1 245 . 1 1 59 59 VAL CA C 13 60.3 0.2 . 1 . . . A 275 VAL CA . 11064 1 246 . 1 1 59 59 VAL CB C 13 36.1 0.2 . 1 . . . A 275 VAL CB . 11064 1 247 . 1 1 59 59 VAL CG1 C 13 21.8 0.2 . 1 . . . A 275 VAL CG1 . 11064 1 248 . 1 1 59 59 VAL CG2 C 13 22.8 0.2 . 1 . . . A 275 VAL CG2 . 11064 1 249 . 1 1 59 59 VAL N N 15 123 0.2 . 1 . . . A 275 VAL N . 11064 1 250 . 1 1 60 60 LEU C C 13 173.8 0.2 . 1 . . . A 276 LEU C . 11064 1 251 . 1 1 60 60 LEU CA C 13 52.7 0.2 . 1 . . . A 276 LEU CA . 11064 1 252 . 1 1 60 60 LEU CB C 13 43.6 0.2 . 1 . . . A 276 LEU CB . 11064 1 253 . 1 1 60 60 LEU CG C 13 26.9 0.2 . 1 . . . A 276 LEU CG . 11064 1 254 . 1 1 60 60 LEU CD1 C 13 24.2 0.2 . 1 . . . A 276 LEU CD1 . 11064 1 255 . 1 1 60 60 LEU CD2 C 13 26.3 0.2 . 1 . . . A 276 LEU CD2 . 11064 1 256 . 1 1 60 60 LEU N N 15 130.6 0.2 . 1 . . . A 276 LEU N . 11064 1 257 . 1 1 61 61 ILE C C 13 173.3 0.2 . 1 . . . A 277 ILE C . 11064 1 258 . 1 1 61 61 ILE CA C 13 58.7 0.2 . 1 . . . A 277 ILE CA . 11064 1 259 . 1 1 61 61 ILE CB C 13 35.7 0.2 . 1 . . . A 277 ILE CB . 11064 1 260 . 1 1 61 61 ILE CG1 C 13 26.3 0.2 . 1 . . . A 277 ILE CG1 . 11064 1 261 . 1 1 61 61 ILE CG2 C 13 18.8 0.2 . 1 . . . A 277 ILE CG2 . 11064 1 262 . 1 1 61 61 ILE CD1 C 13 14.6 0.2 . 1 . . . A 277 ILE CD1 . 11064 1 263 . 1 1 61 61 ILE N N 15 130.4 0.2 . 1 . . . A 277 ILE N . 11064 1 264 . 1 1 62 62 GLY C C 13 172.1 0.2 . 1 . . . A 278 GLY C . 11064 1 265 . 1 1 62 62 GLY CA C 13 44 0.2 . 1 . . . A 278 GLY CA . 11064 1 266 . 1 1 62 62 GLY N N 15 111.6 0.2 . 1 . . . A 278 GLY N . 11064 1 267 . 1 1 63 63 ASN C C 13 173 0.2 . 1 . . . A 279 ASN C . 11064 1 268 . 1 1 63 63 ASN CA C 13 51.9 0.2 . 1 . . . A 279 ASN CA . 11064 1 269 . 1 1 63 63 ASN CB C 13 40.5 0.2 . 1 . . . A 279 ASN CB . 11064 1 270 . 1 1 63 63 ASN CG C 13 176.3 0.2 . 1 . . . A 279 ASN CG . 11064 1 271 . 1 1 63 63 ASN N N 15 114.8 0.2 . 1 . . . A 279 ASN N . 11064 1 272 . 1 1 63 63 ASN ND2 N 15 115.4 0.2 . 1 . . . A 279 ASN ND2 . 11064 1 273 . 1 1 64 64 GLU C C 13 174.9 0.2 . 1 . . . A 280 GLU C . 11064 1 274 . 1 1 64 64 GLU CA C 13 54.6 0.2 . 1 . . . A 280 GLU CA . 11064 1 275 . 1 1 64 64 GLU CB C 13 33.4 0.2 . 1 . . . A 280 GLU CB . 11064 1 276 . 1 1 64 64 GLU CG C 13 37.8 0.2 . 1 . . . A 280 GLU CG . 11064 1 277 . 1 1 64 64 GLU CD C 13 181.8 0.2 . 1 . . . A 280 GLU CD . 11064 1 278 . 1 1 64 64 GLU N N 15 120.6 0.2 . 1 . . . A 280 GLU N . 11064 1 279 . 1 1 65 65 TYR C C 13 176.4 0.2 . 1 . . . A 281 TYR C . 11064 1 280 . 1 1 65 65 TYR CA C 13 56.1 0.2 . 1 . . . A 281 TYR CA . 11064 1 281 . 1 1 65 65 TYR CB C 13 40.4 0.2 . 1 . . . A 281 TYR CB . 11064 1 282 . 1 1 65 65 TYR CG C 13 127.6 0.2 . 1 . . . A 281 TYR CG . 11064 1 283 . 1 1 65 65 TYR CD1 C 13 132.8 0.2 . 3 . . . A 281 TYR CD1 . 11064 1 284 . 1 1 65 65 TYR CD2 C 13 132.8 0.2 . 3 . . . A 281 TYR CD2 . 11064 1 285 . 1 1 65 65 TYR CE1 C 13 117.6 0.2 . 3 . . . A 281 TYR CE1 . 11064 1 286 . 1 1 65 65 TYR CE2 C 13 117.6 0.2 . 3 . . . A 281 TYR CE2 . 11064 1 287 . 1 1 65 65 TYR N N 15 129.1 0.2 . 1 . . . A 281 TYR N . 11064 1 288 . 1 1 66 66 GLY C C 13 174.3 0.2 . 1 . . . A 282 GLY C . 11064 1 289 . 1 1 66 66 GLY CA C 13 46.1 0.2 . 1 . . . A 282 GLY CA . 11064 1 290 . 1 1 66 66 GLY N N 15 110.3 0.2 . 1 . . . A 282 GLY N . 11064 1 291 . 1 1 67 67 GLY C C 13 173.1 0.2 . 1 . . . A 283 GLY C . 11064 1 292 . 1 1 67 67 GLY CA C 13 43.9 0.2 . 1 . . . A 283 GLY CA . 11064 1 293 . 1 1 67 67 GLY N N 15 113.4 0.2 . 1 . . . A 283 GLY N . 11064 1 294 . 1 1 68 68 LYS C C 13 177.5 0.2 . 1 . . . A 284 LYS C . 11064 1 295 . 1 1 68 68 LYS CA C 13 57.3 0.2 . 1 . . . A 284 LYS CA . 11064 1 296 . 1 1 68 68 LYS CB C 13 33.5 0.2 . 1 . . . A 284 LYS CB . 11064 1 297 . 1 1 68 68 LYS CG C 13 24.5 0.2 . 1 . . . A 284 LYS CG . 11064 1 298 . 1 1 68 68 LYS CD C 13 27.5 0.2 . 1 . . . A 284 LYS CD . 11064 1 299 . 1 1 68 68 LYS CE C 13 43.7 0.2 . 1 . . . A 284 LYS CE . 11064 1 300 . 1 1 68 68 LYS N N 15 125.7 0.2 . 9 . . . A 284 LYS N . 11064 1 301 . 1 1 69 69 GLY C C 13 174.8 0.2 . 9 . . . A 285 GLY C . 11064 1 302 . 1 1 69 69 GLY CA C 13 44.3 0.2 . 1 . . . A 285 GLY CA . 11064 1 303 . 1 1 69 69 GLY N N 15 108.9 0.2 . 1 . . . A 285 GLY N . 11064 1 304 . 1 1 70 70 PHE C C 13 175.1 0.2 . 1 . . . A 286 PHE C . 11064 1 305 . 1 1 70 70 PHE CA C 13 59.7 0.2 . 1 . . . A 286 PHE CA . 11064 1 306 . 1 1 70 70 PHE CB C 13 41.3 0.2 . 1 . . . A 286 PHE CB . 11064 1 307 . 1 1 70 70 PHE CG C 13 136.5 0.2 . 1 . . . A 286 PHE CG . 11064 1 308 . 1 1 70 70 PHE CD1 C 13 130.9 0.2 . 3 . . . A 286 PHE CD1 . 11064 1 309 . 1 1 70 70 PHE CD2 C 13 130.9 0.2 . 3 . . . A 286 PHE CD2 . 11064 1 310 . 1 1 70 70 PHE CE1 C 13 129.3 0.2 . 3 . . . A 286 PHE CE1 . 11064 1 311 . 1 1 70 70 PHE CE2 C 13 129.3 0.2 . 3 . . . A 286 PHE CE2 . 11064 1 312 . 1 1 70 70 PHE CZ C 13 132.1 0.2 . 1 . . . A 286 PHE CZ . 11064 1 313 . 1 1 70 70 PHE N N 15 127.6 0.2 . 1 . . . A 286 PHE N . 11064 1 314 . 1 1 71 71 TRP C C 13 175.5 0.2 . 1 . . . A 287 TRP C . 11064 1 315 . 1 1 71 71 TRP CA C 13 57.4 0.2 . 1 . . . A 287 TRP CA . 11064 1 316 . 1 1 71 71 TRP CB C 13 29.5 0.2 . 1 . . . A 287 TRP CB . 11064 1 317 . 1 1 71 71 TRP CG C 13 112.1 0.2 . 1 . . . A 287 TRP CG . 11064 1 318 . 1 1 71 71 TRP CD1 C 13 128.4 0.2 . 1 . . . A 287 TRP CD1 . 11064 1 319 . 1 1 71 71 TRP CD2 C 13 129.3 0.2 . 1 . . . A 287 TRP CD2 . 11064 1 320 . 1 1 71 71 TRP CE2 C 13 140.5 0.2 . 1 . . . A 287 TRP CE2 . 11064 1 321 . 1 1 71 71 TRP CE3 C 13 121 0.2 . 1 . . . A 287 TRP CE3 . 11064 1 322 . 1 1 71 71 TRP CZ2 C 13 117.7 0.2 . 1 . . . A 287 TRP CZ2 . 11064 1 323 . 1 1 71 71 TRP CZ3 C 13 119.8 0.2 . 1 . . . A 287 TRP CZ3 . 11064 1 324 . 1 1 71 71 TRP CH2 C 13 124.1 0.2 . 1 . . . A 287 TRP CH2 . 11064 1 325 . 1 1 71 71 TRP N N 15 118.2 0.2 . 1 . . . A 287 TRP N . 11064 1 326 . 1 1 71 71 TRP NE1 N 15 133.4 0.2 . 1 . . . A 287 TRP NE1 . 11064 1 stop_ loop_ _Ambiguous_atom_chem_shift.Ambiguous_shift_set_ID _Ambiguous_atom_chem_shift.Atom_chem_shift_ID _Ambiguous_atom_chem_shift.Entry_ID _Ambiguous_atom_chem_shift.Assigned_chem_shift_list_ID 1 19 11064 1 1 57 11064 1 1 81 11064 1 1 93 11064 1 1 241 11064 1 stop_ save_