################################### # 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 27972 _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 . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 27972 1 2 '3D HNCACB' . . . 27972 1 3 '3D CBCA(CO)NH' . . . 27972 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 GLU H H 1 8.249 0.020 . 1 . . . . . 4 GLU H . 27972 1 2 . 1 . 1 4 4 GLU CA C 13 56.602 0.3 . 1 . . . . . 4 GLU CA . 27972 1 3 . 1 . 1 4 4 GLU CB C 13 30.214 0.3 . 1 . . . . . 4 GLU CB . 27972 1 4 . 1 . 1 4 4 GLU N N 15 121.896 0.3 . 1 . . . . . 4 GLU N . 27972 1 5 . 1 . 1 5 5 LEU H H 1 8.004 0.020 . 1 . . . . . 5 LEU H . 27972 1 6 . 1 . 1 5 5 LEU CA C 13 55.120 0.3 . 1 . . . . . 5 LEU CA . 27972 1 7 . 1 . 1 5 5 LEU CB C 13 42.412 0.3 . 1 . . . . . 5 LEU CB . 27972 1 8 . 1 . 1 5 5 LEU N N 15 122.422 0.3 . 1 . . . . . 5 LEU N . 27972 1 9 . 1 . 1 6 6 PHE H H 1 8.168 0.020 . 1 . . . . . 6 PHE H . 27972 1 10 . 1 . 1 6 6 PHE CA C 13 57.518 0.3 . 1 . . . . . 6 PHE CA . 27972 1 11 . 1 . 1 6 6 PHE CB C 13 39.720 0.3 . 1 . . . . . 6 PHE CB . 27972 1 12 . 1 . 1 6 6 PHE N N 15 120.672 0.3 . 1 . . . . . 6 PHE N . 27972 1 13 . 1 . 1 7 7 GLN H H 1 8.180 0.020 . 1 . . . . . 7 GLN H . 27972 1 14 . 1 . 1 7 7 GLN CA C 13 55.389 0.3 . 1 . . . . . 7 GLN CA . 27972 1 15 . 1 . 1 7 7 GLN CB C 13 29.810 0.3 . 1 . . . . . 7 GLN CB . 27972 1 16 . 1 . 1 7 7 GLN N N 15 122.385 0.3 . 1 . . . . . 7 GLN N . 27972 1 17 . 1 . 1 8 8 GLU H H 1 8.428 0.020 . 1 . . . . . 8 GLU H . 27972 1 18 . 1 . 1 8 8 GLU CA C 13 56.533 0.3 . 1 . . . . . 8 GLU CA . 27972 1 19 . 1 . 1 8 8 GLU CB C 13 30.163 0.3 . 1 . . . . . 8 GLU CB . 27972 1 20 . 1 . 1 8 8 GLU N N 15 122.784 0.3 . 1 . . . . . 8 GLU N . 27972 1 21 . 1 . 1 10 10 GLY H H 1 8.368 0.020 . 1 . . . . . 10 GLY H . 27972 1 22 . 1 . 1 10 10 GLY CA C 13 45.499 0.3 . 1 . . . . . 10 GLY CA . 27972 1 23 . 1 . 1 10 10 GLY N N 15 109.405 0.3 . 1 . . . . . 10 GLY N . 27972 1 24 . 1 . 1 11 11 VAL H H 1 7.909 0.020 . 1 . . . . . 11 VAL H . 27972 1 25 . 1 . 1 11 11 VAL CA C 13 62.318 0.3 . 1 . . . . . 11 VAL CA . 27972 1 26 . 1 . 1 11 11 VAL CB C 13 32.624 0.3 . 1 . . . . . 11 VAL CB . 27972 1 27 . 1 . 1 11 11 VAL N N 15 119.224 0.3 . 1 . . . . . 11 VAL N . 27972 1 28 . 1 . 1 15 15 THR H H 1 8.044 0.020 . 1 . . . . . 15 THR H . 27972 1 29 . 1 . 1 15 15 THR CA C 13 61.911 0.3 . 1 . . . . . 15 THR CA . 27972 1 30 . 1 . 1 15 15 THR CB C 13 69.641 0.3 . 1 . . . . . 15 THR CB . 27972 1 31 . 1 . 1 15 15 THR N N 15 115.016 0.3 . 1 . . . . . 15 THR N . 27972 1 32 . 1 . 1 16 16 ARG H H 1 8.288 0.020 . 1 . . . . . 16 ARG H . 27972 1 33 . 1 . 1 16 16 ARG CA C 13 54.041 0.3 . 1 . . . . . 16 ARG CA . 27972 1 34 . 1 . 1 16 16 ARG CB C 13 30.199 0.3 . 1 . . . . . 16 ARG CB . 27972 1 35 . 1 . 1 16 16 ARG N N 15 124.818 0.3 . 1 . . . . . 16 ARG N . 27972 1 36 . 1 . 1 18 18 SER H H 1 8.353 0.020 . 1 . . . . . 18 SER H . 27972 1 37 . 1 . 1 18 18 SER CA C 13 58.382 0.3 . 1 . . . . . 18 SER CA . 27972 1 38 . 1 . 1 18 18 SER CB C 13 63.675 0.3 . 1 . . . . . 18 SER CB . 27972 1 39 . 1 . 1 18 18 SER N N 15 115.633 0.3 . 1 . . . . . 18 SER N . 27972 1 40 . 1 . 1 19 19 TYR H H 1 7.935 0.020 . 1 . . . . . 19 TYR H . 27972 1 41 . 1 . 1 19 19 TYR CA C 13 57.592 0.3 . 1 . . . . . 19 TYR CA . 27972 1 42 . 1 . 1 19 19 TYR CB C 13 38.695 0.3 . 1 . . . . . 19 TYR CB . 27972 1 43 . 1 . 1 19 19 TYR N N 15 121.369 0.3 . 1 . . . . . 19 TYR N . 27972 1 44 . 1 . 1 20 20 PHE H H 1 7.990 0.020 . 1 . . . . . 20 PHE H . 27972 1 45 . 1 . 1 20 20 PHE CA C 13 57.598 0.3 . 1 . . . . . 20 PHE CA . 27972 1 46 . 1 . 1 20 20 PHE CB C 13 39.770 0.3 . 1 . . . . . 20 PHE CB . 27972 1 47 . 1 . 1 20 20 PHE N N 15 122.019 0.3 . 1 . . . . . 20 PHE N . 27972 1 48 . 1 . 1 21 21 GLN H H 1 8.095 0.020 . 1 . . . . . 21 GLN H . 27972 1 49 . 1 . 1 21 21 GLN CA C 13 55.284 0.3 . 1 . . . . . 21 GLN CA . 27972 1 50 . 1 . 1 21 21 GLN CB C 13 29.791 0.3 . 1 . . . . . 21 GLN CB . 27972 1 51 . 1 . 1 21 21 GLN N N 15 123.193 0.3 . 1 . . . . . 21 GLN N . 27972 1 52 . 1 . 1 22 22 ALA H H 1 8.293 0.020 . 1 . . . . . 22 ALA H . 27972 1 53 . 1 . 1 22 22 ALA CA C 13 52.293 0.3 . 1 . . . . . 22 ALA CA . 27972 1 54 . 1 . 1 22 22 ALA CB C 13 19.311 0.3 . 1 . . . . . 22 ALA CB . 27972 1 55 . 1 . 1 22 22 ALA N N 15 126.497 0.3 . 1 . . . . . 22 ALA N . 27972 1 56 . 1 . 1 23 23 ALA H H 1 8.340 0.020 . 1 . . . . . 23 ALA H . 27972 1 57 . 1 . 1 23 23 ALA CA C 13 52.312 0.3 . 1 . . . . . 23 ALA CA . 27972 1 58 . 1 . 1 23 23 ALA CB C 13 19.330 0.3 . 1 . . . . . 23 ALA CB . 27972 1 59 . 1 . 1 23 23 ALA N N 15 123.709 0.3 . 1 . . . . . 23 ALA N . 27972 1 60 . 1 . 1 24 24 ASP H H 1 8.304 0.020 . 1 . . . . . 24 ASP H . 27972 1 61 . 1 . 1 24 24 ASP CA C 13 54.239 0.3 . 1 . . . . . 24 ASP CA . 27972 1 62 . 1 . 1 24 24 ASP CB C 13 41.269 0.3 . 1 . . . . . 24 ASP CB . 27972 1 63 . 1 . 1 24 24 ASP N N 15 119.758 0.3 . 1 . . . . . 24 ASP N . 27972 1 64 . 1 . 1 25 25 ASP H H 1 8.274 0.020 . 1 . . . . . 25 ASP H . 27972 1 65 . 1 . 1 25 25 ASP CA C 13 54.294 0.3 . 1 . . . . . 25 ASP CA . 27972 1 66 . 1 . 1 25 25 ASP CB C 13 41.020 0.3 . 1 . . . . . 25 ASP CB . 27972 1 67 . 1 . 1 25 25 ASP N N 15 121.179 0.3 . 1 . . . . . 25 ASP N . 27972 1 68 . 1 . 1 26 26 SER H H 1 8.270 0.020 . 1 . . . . . 26 SER H . 27972 1 69 . 1 . 1 26 26 SER CA C 13 58.853 0.3 . 1 . . . . . 26 SER CA . 27972 1 70 . 1 . 1 26 26 SER CB C 13 63.924 0.3 . 1 . . . . . 26 SER CB . 27972 1 71 . 1 . 1 26 26 SER N N 15 115.907 0.3 . 1 . . . . . 26 SER N . 27972 1 72 . 1 . 1 27 27 ASP H H 1 8.414 0.020 . 1 . . . . . 27 ASP H . 27972 1 73 . 1 . 1 27 27 ASP CA C 13 54.349 0.3 . 1 . . . . . 27 ASP CA . 27972 1 74 . 1 . 1 27 27 ASP CB C 13 41.073 0.3 . 1 . . . . . 27 ASP CB . 27972 1 75 . 1 . 1 27 27 ASP N N 15 122.725 0.3 . 1 . . . . . 27 ASP N . 27972 1 76 . 1 . 1 28 28 THR H H 1 8.073 0.020 . 1 . . . . . 28 THR H . 27972 1 77 . 1 . 1 28 28 THR CA C 13 61.997 0.3 . 1 . . . . . 28 THR CA . 27972 1 78 . 1 . 1 28 28 THR CB C 13 69.817 0.3 . 1 . . . . . 28 THR CB . 27972 1 79 . 1 . 1 28 28 THR N N 15 114.352 0.3 . 1 . . . . . 28 THR N . 27972 1 80 . 1 . 1 29 29 GLU H H 1 8.423 0.020 . 1 . . . . . 29 GLU H . 27972 1 81 . 1 . 1 29 29 GLU CA C 13 56.373 0.3 . 1 . . . . . 29 GLU CA . 27972 1 82 . 1 . 1 29 29 GLU CB C 13 30.277 0.3 . 1 . . . . . 29 GLU CB . 27972 1 83 . 1 . 1 29 29 GLU N N 15 123.471 0.3 . 1 . . . . . 29 GLU N . 27972 1 84 . 1 . 1 30 30 SER H H 1 8.293 0.020 . 1 . . . . . 30 SER H . 27972 1 85 . 1 . 1 30 30 SER CA C 13 58.184 0.3 . 1 . . . . . 30 SER CA . 27972 1 86 . 1 . 1 30 30 SER CB C 13 63.982 0.3 . 1 . . . . . 30 SER CB . 27972 1 87 . 1 . 1 30 30 SER N N 15 117.334 0.3 . 1 . . . . . 30 SER N . 27972 1 88 . 1 . 1 31 31 GLU H H 1 8.462 0.020 . 1 . . . . . 31 GLU H . 27972 1 89 . 1 . 1 31 31 GLU CA C 13 54.396 0.3 . 1 . . . . . 31 GLU CA . 27972 1 90 . 1 . 1 31 31 GLU CB C 13 29.717 0.3 . 1 . . . . . 31 GLU CB . 27972 1 91 . 1 . 1 31 31 GLU N N 15 124.105 0.3 . 1 . . . . . 31 GLU N . 27972 1 92 . 1 . 1 33 33 GLU H H 1 8.513 0.020 . 1 . . . . . 33 GLU H . 27972 1 93 . 1 . 1 33 33 GLU CA C 13 56.339 0.3 . 1 . . . . . 33 GLU CA . 27972 1 94 . 1 . 1 33 33 GLU CB C 13 30.200 0.3 . 1 . . . . . 33 GLU CB . 27972 1 95 . 1 . 1 33 33 GLU N N 15 121.628 0.3 . 1 . . . . . 33 GLU N . 27972 1 96 . 1 . 1 34 34 ILE H H 1 8.244 0.020 . 1 . . . . . 34 ILE H . 27972 1 97 . 1 . 1 34 34 ILE CA C 13 60.838 0.3 . 1 . . . . . 34 ILE CA . 27972 1 98 . 1 . 1 34 34 ILE CB C 13 38.853 0.3 . 1 . . . . . 34 ILE CB . 27972 1 99 . 1 . 1 34 34 ILE N N 15 122.590 0.3 . 1 . . . . . 34 ILE N . 27972 1 100 . 1 . 1 35 35 GLU H H 1 8.503 0.020 . 1 . . . . . 35 GLU H . 27972 1 101 . 1 . 1 35 35 GLU CA C 13 56.505 0.3 . 1 . . . . . 35 GLU CA . 27972 1 102 . 1 . 1 35 35 GLU CB C 13 30.517 0.3 . 1 . . . . . 35 GLU CB . 27972 1 103 . 1 . 1 35 35 GLU N N 15 125.702 0.3 . 1 . . . . . 35 GLU N . 27972 1 104 . 1 . 1 36 36 ASP H H 1 8.304 0.020 . 1 . . . . . 36 ASP H . 27972 1 105 . 1 . 1 36 36 ASP CA C 13 54.245 0.3 . 1 . . . . . 36 ASP CA . 27972 1 106 . 1 . 1 36 36 ASP CB C 13 41.148 0.3 . 1 . . . . . 36 ASP CB . 27972 1 107 . 1 . 1 36 36 ASP N N 15 119.574 0.3 . 1 . . . . . 36 ASP N . 27972 1 108 . 1 . 1 37 37 ASN H H 1 8.442 0.020 . 1 . . . . . 37 ASN H . 27972 1 109 . 1 . 1 37 37 ASN CA C 13 53.172 0.3 . 1 . . . . . 37 ASN CA . 27972 1 110 . 1 . 1 37 37 ASN CB C 13 38.636 0.3 . 1 . . . . . 37 ASN CB . 27972 1 111 . 1 . 1 37 37 ASN N N 15 119.839 0.3 . 1 . . . . . 37 ASN N . 27972 1 112 . 1 . 1 38 38 GLN H H 1 8.453 0.020 . 1 . . . . . 38 GLN H . 27972 1 113 . 1 . 1 38 38 GLN CA C 13 56.449 0.3 . 1 . . . . . 38 GLN CA . 27972 1 114 . 1 . 1 38 38 GLN CB C 13 29.057 0.3 . 1 . . . . . 38 GLN CB . 27972 1 115 . 1 . 1 38 38 GLN N N 15 120.063 0.3 . 1 . . . . . 38 GLN N . 27972 1 116 . 1 . 1 39 39 GLY H H 1 8.416 0.020 . 1 . . . . . 39 GLY H . 27972 1 117 . 1 . 1 39 39 GLY CA C 13 45.400 0.3 . 1 . . . . . 39 GLY CA . 27972 1 118 . 1 . 1 39 39 GLY N N 15 109.273 0.3 . 1 . . . . . 39 GLY N . 27972 1 119 . 1 . 1 40 40 LEU H H 1 7.906 0.020 . 1 . . . . . 40 LEU H . 27972 1 120 . 1 . 1 40 40 LEU CA C 13 55.019 0.3 . 1 . . . . . 40 LEU CA . 27972 1 121 . 1 . 1 40 40 LEU CB C 13 42.432 0.3 . 1 . . . . . 40 LEU CB . 27972 1 122 . 1 . 1 40 40 LEU N N 15 121.384 0.3 . 1 . . . . . 40 LEU N . 27972 1 123 . 1 . 1 41 41 TYR H H 1 8.215 0.020 . 1 . . . . . 41 TYR H . 27972 1 124 . 1 . 1 41 41 TYR CA C 13 57.663 0.3 . 1 . . . . . 41 TYR CA . 27972 1 125 . 1 . 1 41 41 TYR CB C 13 38.656 0.3 . 1 . . . . . 41 TYR CB . 27972 1 126 . 1 . 1 41 41 TYR N N 15 122.152 0.3 . 1 . . . . . 41 TYR N . 27972 1 127 . 1 . 1 42 42 VAL H H 1 7.954 0.020 . 1 . . . . . 42 VAL H . 27972 1 128 . 1 . 1 42 42 VAL CA C 13 59.139 0.3 . 1 . . . . . 42 VAL CA . 27972 1 129 . 1 . 1 42 42 VAL CB C 13 33.204 0.3 . 1 . . . . . 42 VAL CB . 27972 1 130 . 1 . 1 42 42 VAL N N 15 126.620 0.3 . 1 . . . . . 42 VAL N . 27972 1 131 . 1 . 1 44 44 ASP H H 1 8.330 0.020 . 1 . . . . . 44 ASP H . 27972 1 132 . 1 . 1 44 44 ASP N N 15 121.643 0.3 . 1 . . . . . 44 ASP N . 27972 1 133 . 1 . 1 46 46 GLU H H 1 8.414 0.020 . 1 . . . . . 46 GLU H . 27972 1 134 . 1 . 1 46 46 GLU CA C 13 56.581 0.3 . 1 . . . . . 46 GLU CA . 27972 1 135 . 1 . 1 46 46 GLU CB C 13 29.817 0.3 . 1 . . . . . 46 GLU CB . 27972 1 136 . 1 . 1 46 46 GLU N N 15 119.438 0.3 . 1 . . . . . 46 GLU N . 27972 1 137 . 1 . 1 47 47 ALA H H 1 7.964 0.020 . 1 . . . . . 47 ALA H . 27972 1 138 . 1 . 1 47 47 ALA CA C 13 52.591 0.3 . 1 . . . . . 47 ALA CA . 27972 1 139 . 1 . 1 47 47 ALA CB C 13 19.288 0.3 . 1 . . . . . 47 ALA CB . 27972 1 140 . 1 . 1 47 47 ALA N N 15 124.109 0.3 . 1 . . . . . 47 ALA N . 27972 1 141 . 1 . 1 48 48 GLU H H 1 8.247 0.020 . 1 . . . . . 48 GLU H . 27972 1 142 . 1 . 1 48 48 GLU CA C 13 56.601 0.3 . 1 . . . . . 48 GLU CA . 27972 1 143 . 1 . 1 48 48 GLU CB C 13 30.295 0.3 . 1 . . . . . 48 GLU CB . 27972 1 144 . 1 . 1 48 48 GLU N N 15 119.814 0.3 . 1 . . . . . 48 GLU N . 27972 1 145 . 1 . 1 49 49 GLN H H 1 8.330 0.020 . 1 . . . . . 49 GLN H . 27972 1 146 . 1 . 1 49 49 GLN CA C 13 55.483 0.3 . 1 . . . . . 49 GLN CA . 27972 1 147 . 1 . 1 49 49 GLN CB C 13 29.282 0.3 . 1 . . . . . 49 GLN CB . 27972 1 148 . 1 . 1 49 49 GLN N N 15 121.772 0.3 . 1 . . . . . 49 GLN N . 27972 1 149 . 1 . 1 50 50 VAL H H 1 8.182 0.020 . 1 . . . . . 50 VAL H . 27972 1 150 . 1 . 1 50 50 VAL CA C 13 62.162 0.3 . 1 . . . . . 50 VAL CA . 27972 1 151 . 1 . 1 50 50 VAL CB C 13 32.843 0.3 . 1 . . . . . 50 VAL CB . 27972 1 152 . 1 . 1 50 50 VAL N N 15 121.729 0.3 . 1 . . . . . 50 VAL N . 27972 1 153 . 1 . 1 51 51 GLU H H 1 8.522 0.020 . 1 . . . . . 51 GLU H . 27972 1 154 . 1 . 1 51 51 GLU CA C 13 56.743 0.3 . 1 . . . . . 51 GLU CA . 27972 1 155 . 1 . 1 51 51 GLU CB C 13 30.199 0.3 . 1 . . . . . 51 GLU CB . 27972 1 156 . 1 . 1 51 51 GLU N N 15 124.781 0.3 . 1 . . . . . 51 GLU N . 27972 1 157 . 1 . 1 52 52 GLY H H 1 8.421 0.020 . 1 . . . . . 52 GLY H . 27972 1 158 . 1 . 1 52 52 GLY CA C 13 45.140 0.3 . 1 . . . . . 52 GLY CA . 27972 1 159 . 1 . 1 52 52 GLY N N 15 110.395 0.3 . 1 . . . . . 52 GLY N . 27972 1 160 . 1 . 1 53 53 PHE H H 1 8.034 0.020 . 1 . . . . . 53 PHE H . 27972 1 161 . 1 . 1 53 53 PHE CA C 13 57.807 0.3 . 1 . . . . . 53 PHE CA . 27972 1 162 . 1 . 1 53 53 PHE CB C 13 39.708 0.3 . 1 . . . . . 53 PHE CB . 27972 1 163 . 1 . 1 53 53 PHE N N 15 120.352 0.3 . 1 . . . . . 53 PHE N . 27972 1 164 . 1 . 1 54 54 ILE H H 1 8.028 0.020 . 1 . . . . . 54 ILE H . 27972 1 165 . 1 . 1 54 54 ILE CA C 13 60.567 0.3 . 1 . . . . . 54 ILE CA . 27972 1 166 . 1 . 1 54 54 ILE CB C 13 38.837 0.3 . 1 . . . . . 54 ILE CB . 27972 1 167 . 1 . 1 54 54 ILE N N 15 124.417 0.3 . 1 . . . . . 54 ILE N . 27972 1 168 . 1 . 1 55 55 GLN H H 1 8.396 0.020 . 1 . . . . . 55 GLN H . 27972 1 169 . 1 . 1 55 55 GLN CA C 13 55.789 0.3 . 1 . . . . . 55 GLN CA . 27972 1 170 . 1 . 1 55 55 GLN CB C 13 29.722 0.3 . 1 . . . . . 55 GLN CB . 27972 1 171 . 1 . 1 55 55 GLN N N 15 125.556 0.3 . 1 . . . . . 55 GLN N . 27972 1 172 . 1 . 1 56 56 GLY H H 1 8.351 0.020 . 1 . . . . . 56 GLY H . 27972 1 173 . 1 . 1 56 56 GLY CA C 13 44.425 0.3 . 1 . . . . . 56 GLY CA . 27972 1 174 . 1 . 1 56 56 GLY N N 15 111.900 0.3 . 1 . . . . . 56 GLY N . 27972 1 175 . 1 . 1 58 58 LEU H H 1 8.633 0.020 . 1 . . . . . 58 LEU H . 27972 1 176 . 1 . 1 58 58 LEU CA C 13 54.769 0.3 . 1 . . . . . 58 LEU CA . 27972 1 177 . 1 . 1 58 58 LEU CB C 13 42.165 0.3 . 1 . . . . . 58 LEU CB . 27972 1 178 . 1 . 1 58 58 LEU N N 15 123.086 0.3 . 1 . . . . . 58 LEU N . 27972 1 179 . 1 . 1 59 59 ASP H H 1 8.172 0.020 . 1 . . . . . 59 ASP H . 27972 1 180 . 1 . 1 59 59 ASP CA C 13 54.343 0.3 . 1 . . . . . 59 ASP CA . 27972 1 181 . 1 . 1 59 59 ASP CB C 13 41.245 0.3 . 1 . . . . . 59 ASP CB . 27972 1 182 . 1 . 1 59 59 ASP N N 15 120.963 0.3 . 1 . . . . . 59 ASP N . 27972 1 183 . 1 . 1 60 60 ASP H H 1 8.161 0.020 . 1 . . . . . 60 ASP H . 27972 1 184 . 1 . 1 60 60 ASP CA C 13 54.131 0.3 . 1 . . . . . 60 ASP CA . 27972 1 185 . 1 . 1 60 60 ASP CB C 13 41.062 0.3 . 1 . . . . . 60 ASP CB . 27972 1 186 . 1 . 1 60 60 ASP N N 15 120.229 0.3 . 1 . . . . . 60 ASP N . 27972 1 187 . 1 . 1 61 61 TYR H H 1 8.077 0.020 . 1 . . . . . 61 TYR H . 27972 1 188 . 1 . 1 61 61 TYR CA C 13 57.852 0.3 . 1 . . . . . 61 TYR CA . 27972 1 189 . 1 . 1 61 61 TYR CB C 13 38.602 0.3 . 1 . . . . . 61 TYR CB . 27972 1 190 . 1 . 1 61 61 TYR N N 15 120.560 0.3 . 1 . . . . . 61 TYR N . 27972 1 191 . 1 . 1 62 62 ALA H H 1 8.061 0.020 . 1 . . . . . 62 ALA H . 27972 1 192 . 1 . 1 62 62 ALA CA C 13 52.226 0.3 . 1 . . . . . 62 ALA CA . 27972 1 193 . 1 . 1 62 62 ALA CB C 13 19.632 0.3 . 1 . . . . . 62 ALA CB . 27972 1 194 . 1 . 1 62 62 ALA N N 15 126.073 0.3 . 1 . . . . . 62 ALA N . 27972 1 195 . 1 . 1 63 63 ASP H H 1 8.194 0.020 . 1 . . . . . 63 ASP H . 27972 1 196 . 1 . 1 63 63 ASP CA C 13 54.276 0.3 . 1 . . . . . 63 ASP CA . 27972 1 197 . 1 . 1 63 63 ASP CB C 13 41.184 0.3 . 1 . . . . . 63 ASP CB . 27972 1 198 . 1 . 1 63 63 ASP N N 15 120.240 0.3 . 1 . . . . . 63 ASP N . 27972 1 199 . 1 . 1 64 64 GLU H H 1 8.317 0.020 . 1 . . . . . 64 GLU H . 27972 1 200 . 1 . 1 64 64 GLU CA C 13 56.516 0.3 . 1 . . . . . 64 GLU CA . 27972 1 201 . 1 . 1 64 64 GLU CB C 13 30.536 0.3 . 1 . . . . . 64 GLU CB . 27972 1 202 . 1 . 1 64 64 GLU N N 15 120.946 0.3 . 1 . . . . . 64 GLU N . 27972 1 203 . 1 . 1 65 65 ASP H H 1 8.430 0.020 . 1 . . . . . 65 ASP H . 27972 1 204 . 1 . 1 65 65 ASP CA C 13 54.349 0.3 . 1 . . . . . 65 ASP CA . 27972 1 205 . 1 . 1 65 65 ASP CB C 13 41.073 0.3 . 1 . . . . . 65 ASP CB . 27972 1 206 . 1 . 1 65 65 ASP N N 15 121.471 0.3 . 1 . . . . . 65 ASP N . 27972 1 207 . 1 . 1 66 66 VAL H H 1 7.944 0.020 . 1 . . . . . 66 VAL H . 27972 1 208 . 1 . 1 66 66 VAL CA C 13 62.103 0.3 . 1 . . . . . 66 VAL CA . 27972 1 209 . 1 . 1 66 66 VAL CB C 13 32.882 0.3 . 1 . . . . . 66 VAL CB . 27972 1 210 . 1 . 1 66 66 VAL N N 15 119.497 0.3 . 1 . . . . . 66 VAL N . 27972 1 211 . 1 . 1 67 67 ASP H H 1 8.384 0.020 . 1 . . . . . 67 ASP H . 27972 1 212 . 1 . 1 67 67 ASP CA C 13 54.416 0.3 . 1 . . . . . 67 ASP CA . 27972 1 213 . 1 . 1 67 67 ASP CB C 13 41.131 0.3 . 1 . . . . . 67 ASP CB . 27972 1 214 . 1 . 1 67 67 ASP N N 15 123.746 0.3 . 1 . . . . . 67 ASP N . 27972 1 215 . 1 . 1 68 68 VAL H H 1 7.949 0.020 . 1 . . . . . 68 VAL H . 27972 1 216 . 1 . 1 68 68 VAL CA C 13 62.306 0.3 . 1 . . . . . 68 VAL CA . 27972 1 217 . 1 . 1 68 68 VAL CB C 13 32.663 0.3 . 1 . . . . . 68 VAL CB . 27972 1 218 . 1 . 1 68 68 VAL N N 15 120.675 0.3 . 1 . . . . . 68 VAL N . 27972 1 219 . 1 . 1 69 69 VAL H H 1 8.098 0.020 . 1 . . . . . 69 VAL H . 27972 1 220 . 1 . 1 69 69 VAL CA C 13 62.122 0.3 . 1 . . . . . 69 VAL CA . 27972 1 221 . 1 . 1 69 69 VAL CB C 13 32.805 0.3 . 1 . . . . . 69 VAL CB . 27972 1 222 . 1 . 1 69 69 VAL N N 15 124.112 0.3 . 1 . . . . . 69 VAL N . 27972 1 223 . 1 . 1 70 70 PHE H H 1 8.417 0.020 . 1 . . . . . 70 PHE H . 27972 1 224 . 1 . 1 70 70 PHE CA C 13 57.617 0.3 . 1 . . . . . 70 PHE CA . 27972 1 225 . 1 . 1 70 70 PHE CB C 13 39.736 0.3 . 1 . . . . . 70 PHE CB . 27972 1 226 . 1 . 1 70 70 PHE N N 15 124.872 0.3 . 1 . . . . . 70 PHE N . 27972 1 227 . 1 . 1 71 71 THR H H 1 8.113 0.020 . 1 . . . . . 71 THR H . 27972 1 228 . 1 . 1 71 71 THR CA C 13 61.438 0.3 . 1 . . . . . 71 THR CA . 27972 1 229 . 1 . 1 71 71 THR CB C 13 70.011 0.3 . 1 . . . . . 71 THR CB . 27972 1 230 . 1 . 1 71 71 THR N N 15 116.451 0.3 . 1 . . . . . 71 THR N . 27972 1 231 . 1 . 1 72 72 SER H H 1 7.884 0.020 . 1 . . . . . 72 SER H . 27972 1 232 . 1 . 1 72 72 SER CA C 13 60.014 0.3 . 1 . . . . . 72 SER CA . 27972 1 233 . 1 . 1 72 72 SER CB C 13 64.742 0.3 . 1 . . . . . 72 SER CB . 27972 1 234 . 1 . 1 72 72 SER N N 15 123.350 0.3 . 1 . . . . . 72 SER N . 27972 1 stop_ save_