################################### # 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 51959 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'major state backbone chemical shifts' _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 'Chemical shifts were assigned based on the BMRB entry 34089' _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 2 '13CA CEST' . . . 51959 1 9 '2D 1H-15N HSQC' . . . 51959 1 10 '3D HNCO' . . . 51959 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 3 $software_3 . . 51959 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 2 2 ASP C C 13 176.012 . . 1 . . . . . 2 ASP C . 51959 1 2 . 1 . 1 2 2 ASP CA C 13 54.370 . . 1 . . . . . 2 ASP CA . 51959 1 3 . 1 . 1 3 3 LYS H H 1 8.413 . . 1 . . . . . 3 LYS H . 51959 1 4 . 1 . 1 3 3 LYS C C 13 176.471 . . 1 . . . . . 3 LYS C . 51959 1 5 . 1 . 1 3 3 LYS CA C 13 56.337 . . 1 . . . . . 3 LYS CA . 51959 1 6 . 1 . 1 3 3 LYS N N 15 121.683 . . 1 . . . . . 3 LYS N . 51959 1 7 . 1 . 1 4 4 GLN H H 1 8.533 . . 1 . . . . . 4 GLN H . 51959 1 8 . 1 . 1 4 4 GLN C C 13 176.159 . . 1 . . . . . 4 GLN C . 51959 1 9 . 1 . 1 4 4 GLN CA C 13 55.741 . . 1 . . . . . 4 GLN CA . 51959 1 10 . 1 . 1 4 4 GLN N N 15 121.755 . . 1 . . . . . 4 GLN N . 51959 1 11 . 1 . 1 5 5 THR H H 1 8.181 . . 1 . . . . . 5 THR H . 51959 1 12 . 1 . 1 5 5 THR C C 13 174.265 . . 1 . . . . . 5 THR C . 51959 1 13 . 1 . 1 5 5 THR CA C 13 61.857 . . 1 . . . . . 5 THR CA . 51959 1 14 . 1 . 1 5 5 THR N N 15 115.348 . . 1 . . . . . 5 THR N . 51959 1 15 . 1 . 1 6 6 HIS H H 1 8.427 . . 1 . . . . . 6 HIS H . 51959 1 16 . 1 . 1 6 6 HIS C C 13 174.867 . . 1 . . . . . 6 HIS C . 51959 1 17 . 1 . 1 6 6 HIS CA C 13 55.654 . . 1 . . . . . 6 HIS CA . 51959 1 18 . 1 . 1 6 6 HIS N N 15 120.842 . . 1 . . . . . 6 HIS N . 51959 1 19 . 1 . 1 7 7 GLU H H 1 8.509 . . 1 . . . . . 7 GLU H . 51959 1 20 . 1 . 1 7 7 GLU C C 13 176.529 . . 1 . . . . . 7 GLU C . 51959 1 21 . 1 . 1 7 7 GLU CA C 13 56.982 . . 1 . . . . . 7 GLU CA . 51959 1 22 . 1 . 1 7 7 GLU N N 15 122.446 . . 1 . . . . . 7 GLU N . 51959 1 23 . 1 . 1 8 8 THR H H 1 8.169 . . 1 . . . . . 8 THR H . 51959 1 24 . 1 . 1 8 8 THR C C 13 174.238 . . 1 . . . . . 8 THR C . 51959 1 25 . 1 . 1 8 8 THR CA C 13 61.810 . . 1 . . . . . 8 THR CA . 51959 1 26 . 1 . 1 8 8 THR N N 15 114.776 . . 1 . . . . . 8 THR N . 51959 1 27 . 1 . 1 9 9 GLU H H 1 8.444 . . 1 . . . . . 9 GLU H . 51959 1 28 . 1 . 1 9 9 GLU C C 13 176.136 . . 1 . . . . . 9 GLU C . 51959 1 29 . 1 . 1 9 9 GLU CA C 13 56.412 . . 1 . . . . . 9 GLU CA . 51959 1 30 . 1 . 1 9 9 GLU N N 15 123.866 . . 1 . . . . . 9 GLU N . 51959 1 31 . 1 . 1 10 10 LEU H H 1 8.149 . . 1 . . . . . 10 LEU H . 51959 1 32 . 1 . 1 10 10 LEU C C 13 177.823 . . 1 . . . . . 10 LEU C . 51959 1 33 . 1 . 1 10 10 LEU CA C 13 54.643 . . 1 . . . . . 10 LEU CA . 51959 1 34 . 1 . 1 10 10 LEU N N 15 123.179 . . 1 . . . . . 10 LEU N . 51959 1 35 . 1 . 1 11 11 THR H H 1 8.443 . . 1 . . . . . 11 THR H . 51959 1 36 . 1 . 1 11 11 THR C C 13 174.830 . . 1 . . . . . 11 THR C . 51959 1 37 . 1 . 1 11 11 THR CA C 13 60.240 . . 1 . . . . . 11 THR CA . 51959 1 38 . 1 . 1 11 11 THR N N 15 112.456 . . 1 . . . . . 11 THR N . 51959 1 39 . 1 . 1 12 12 PHE H H 1 8.743 . . 1 . . . . . 12 PHE H . 51959 1 40 . 1 . 1 12 12 PHE C C 13 176.443 . . 1 . . . . . 12 PHE C . 51959 1 41 . 1 . 1 12 12 PHE CA C 13 60.248 . . 1 . . . . . 12 PHE CA . 51959 1 42 . 1 . 1 12 12 PHE N N 15 122.489 . . 1 . . . . . 12 PHE N . 51959 1 43 . 1 . 1 13 13 ASP H H 1 8.092 . . 1 . . . . . 13 ASP H . 51959 1 44 . 1 . 1 13 13 ASP C C 13 178.914 . . 1 . . . . . 13 ASP C . 51959 1 45 . 1 . 1 13 13 ASP CA C 13 57.421 . . 1 . . . . . 13 ASP CA . 51959 1 46 . 1 . 1 13 13 ASP N N 15 115.892 . . 1 . . . . . 13 ASP N . 51959 1 47 . 1 . 1 14 14 GLN H H 1 7.533 . . 1 . . . . . 14 GLN H . 51959 1 48 . 1 . 1 14 14 GLN C C 13 179.104 . . 1 . . . . . 14 GLN C . 51959 1 49 . 1 . 1 14 14 GLN CA C 13 58.726 . . 1 . . . . . 14 GLN CA . 51959 1 50 . 1 . 1 14 14 GLN N N 15 119.356 . . 1 . . . . . 14 GLN N . 51959 1 51 . 1 . 1 15 15 VAL H H 1 8.282 . . 1 . . . . . 15 VAL H . 51959 1 52 . 1 . 1 15 15 VAL C C 13 178.099 . . 1 . . . . . 15 VAL C . 51959 1 53 . 1 . 1 15 15 VAL CA C 13 67.110 . . 1 . . . . . 15 VAL CA . 51959 1 54 . 1 . 1 15 15 VAL N N 15 122.113 . . 1 . . . . . 15 VAL N . 51959 1 55 . 1 . 1 16 16 LYS H H 1 8.040 . . 1 . . . . . 16 LYS H . 51959 1 56 . 1 . 1 16 16 LYS C C 13 178.539 . . 1 . . . . . 16 LYS C . 51959 1 57 . 1 . 1 16 16 LYS CA C 13 60.438 . . 1 . . . . . 16 LYS CA . 51959 1 58 . 1 . 1 16 16 LYS N N 15 119.091 . . 1 . . . . . 16 LYS N . 51959 1 59 . 1 . 1 17 17 GLU H H 1 7.710 . . 1 . . . . . 17 GLU H . 51959 1 60 . 1 . 1 17 17 GLU C C 13 179.091 . . 1 . . . . . 17 GLU C . 51959 1 61 . 1 . 1 17 17 GLU CA C 13 59.781 . . 1 . . . . . 17 GLU CA . 51959 1 62 . 1 . 1 17 17 GLU N N 15 118.938 . . 1 . . . . . 17 GLU N . 51959 1 63 . 1 . 1 18 18 GLN H H 1 7.879 . . 1 . . . . . 18 GLN H . 51959 1 64 . 1 . 1 18 18 GLN C C 13 179.888 . . 1 . . . . . 18 GLN C . 51959 1 65 . 1 . 1 18 18 GLN CA C 13 58.921 . . 1 . . . . . 18 GLN CA . 51959 1 66 . 1 . 1 18 18 GLN N N 15 118.896 . . 1 . . . . . 18 GLN N . 51959 1 67 . 1 . 1 19 19 LEU H H 1 8.506 . . 1 . . . . . 19 LEU H . 51959 1 68 . 1 . 1 19 19 LEU C C 13 178.769 . . 1 . . . . . 19 LEU C . 51959 1 69 . 1 . 1 19 19 LEU CA C 13 57.780 . . 1 . . . . . 19 LEU CA . 51959 1 70 . 1 . 1 19 19 LEU N N 15 122.797 . . 1 . . . . . 19 LEU N . 51959 1 71 . 1 . 1 20 20 THR H H 1 8.839 . . 1 . . . . . 20 THR H . 51959 1 72 . 1 . 1 20 20 THR C C 13 176.004 . . 1 . . . . . 20 THR C . 51959 1 73 . 1 . 1 20 20 THR CA C 13 67.124 . . 1 . . . . . 20 THR CA . 51959 1 74 . 1 . 1 20 20 THR N N 15 117.871 . . 1 . . . . . 20 THR N . 51959 1 75 . 1 . 1 21 21 GLU H H 1 8.057 . . 1 . . . . . 21 GLU H . 51959 1 76 . 1 . 1 21 21 GLU C C 13 179.345 . . 1 . . . . . 21 GLU C . 51959 1 77 . 1 . 1 21 21 GLU CA C 13 59.662 . . 1 . . . . . 21 GLU CA . 51959 1 78 . 1 . 1 21 21 GLU N N 15 120.024 . . 1 . . . . . 21 GLU N . 51959 1 79 . 1 . 1 22 22 SER H H 1 8.031 . . 1 . . . . . 22 SER H . 51959 1 80 . 1 . 1 22 22 SER C C 13 177.335 . . 1 . . . . . 22 SER C . 51959 1 81 . 1 . 1 22 22 SER CA C 13 61.548 . . 1 . . . . . 22 SER CA . 51959 1 82 . 1 . 1 22 22 SER N N 15 115.336 . . 1 . . . . . 22 SER N . 51959 1 83 . 1 . 1 23 23 GLY H H 1 9.048 . . 1 . . . . . 23 GLY H . 51959 1 84 . 1 . 1 23 23 GLY C C 13 175.698 . . 1 . . . . . 23 GLY C . 51959 1 85 . 1 . 1 23 23 GLY CA C 13 47.435 . . 1 . . . . . 23 GLY CA . 51959 1 86 . 1 . 1 23 23 GLY N N 15 110.252 . . 1 . . . . . 23 GLY N . 51959 1 87 . 1 . 1 24 24 LYS H H 1 8.579 . . 1 . . . . . 24 LYS H . 51959 1 88 . 1 . 1 24 24 LYS C C 13 178.982 . . 1 . . . . . 24 LYS C . 51959 1 89 . 1 . 1 24 24 LYS CA C 13 59.445 . . 1 . . . . . 24 LYS CA . 51959 1 90 . 1 . 1 24 24 LYS N N 15 121.246 . . 1 . . . . . 24 LYS N . 51959 1 91 . 1 . 1 25 25 LYS H H 1 7.640 . . 1 . . . . . 25 LYS H . 51959 1 92 . 1 . 1 25 25 LYS C C 13 178.570 . . 1 . . . . . 25 LYS C . 51959 1 93 . 1 . 1 25 25 LYS CA C 13 59.105 . . 1 . . . . . 25 LYS CA . 51959 1 94 . 1 . 1 25 25 LYS N N 15 118.522 . . 1 . . . . . 25 LYS N . 51959 1 95 . 1 . 1 26 26 ARG H H 1 8.022 . . 1 . . . . . 26 ARG H . 51959 1 96 . 1 . 1 26 26 ARG C C 13 177.530 . . 1 . . . . . 26 ARG C . 51959 1 97 . 1 . 1 26 26 ARG CA C 13 57.536 . . 1 . . . . . 26 ARG CA . 51959 1 98 . 1 . 1 26 26 ARG N N 15 115.905 . . 1 . . . . . 26 ARG N . 51959 1 99 . 1 . 1 27 27 GLY H H 1 8.575 . . 1 . . . . . 27 GLY H . 51959 1 100 . 1 . 1 27 27 GLY C C 13 172.648 . . 1 . . . . . 27 GLY C . 51959 1 101 . 1 . 1 27 27 GLY CA C 13 45.330 . . 1 . . . . . 27 GLY CA . 51959 1 102 . 1 . 1 27 27 GLY N N 15 109.295 . . 1 . . . . . 27 GLY N . 51959 1 103 . 1 . 1 28 28 VAL H H 1 7.074 . . 1 . . . . . 28 VAL H . 51959 1 104 . 1 . 1 28 28 VAL C C 13 173.185 . . 1 . . . . . 28 VAL C . 51959 1 105 . 1 . 1 28 28 VAL CA C 13 58.589 . . 1 . . . . . 28 VAL CA . 51959 1 106 . 1 . 1 28 28 VAL N N 15 117.024 . . 1 . . . . . 28 VAL N . 51959 1 107 . 1 . 1 29 29 LEU H H 1 8.247 . . 1 . . . . . 29 LEU H . 51959 1 108 . 1 . 1 29 29 LEU C C 13 175.421 . . 1 . . . . . 29 LEU C . 51959 1 109 . 1 . 1 29 29 LEU CA C 13 53.470 . . 1 . . . . . 29 LEU CA . 51959 1 110 . 1 . 1 29 29 LEU N N 15 122.620 . . 1 . . . . . 29 LEU N . 51959 1 111 . 1 . 1 30 30 THR H H 1 9.008 . . 1 . . . . . 30 THR H . 51959 1 112 . 1 . 1 30 30 THR C C 13 176.638 . . 1 . . . . . 30 THR C . 51959 1 113 . 1 . 1 30 30 THR CA C 13 57.929 . . 1 . . . . . 30 THR CA . 51959 1 114 . 1 . 1 30 30 THR N N 15 110.399 . . 1 . . . . . 30 THR N . 51959 1 115 . 1 . 1 31 31 TYR H H 1 8.419 . . 1 . . . . . 31 TYR H . 51959 1 116 . 1 . 1 31 31 TYR C C 13 179.518 . . 1 . . . . . 31 TYR C . 51959 1 117 . 1 . 1 31 31 TYR CA C 13 62.719 . . 1 . . . . . 31 TYR CA . 51959 1 118 . 1 . 1 31 31 TYR N N 15 120.218 . . 1 . . . . . 31 TYR N . 51959 1 119 . 1 . 1 32 32 GLU H H 1 9.747 . . 1 . . . . . 32 GLU H . 51959 1 120 . 1 . 1 32 32 GLU C C 13 179.114 . . 1 . . . . . 32 GLU C . 51959 1 121 . 1 . 1 32 32 GLU CA C 13 61.607 . . 1 . . . . . 32 GLU CA . 51959 1 122 . 1 . 1 32 32 GLU N N 15 119.364 . . 1 . . . . . 32 GLU N . 51959 1 123 . 1 . 1 33 33 GLU H H 1 8.591 . . 1 . . . . . 33 GLU H . 51959 1 124 . 1 . 1 33 33 GLU C C 13 178.761 . . 1 . . . . . 33 GLU C . 51959 1 125 . 1 . 1 33 33 GLU CA C 13 58.874 . . 1 . . . . . 33 GLU CA . 51959 1 126 . 1 . 1 33 33 GLU N N 15 123.112 . . 1 . . . . . 33 GLU N . 51959 1 127 . 1 . 1 34 34 ILE H H 1 7.597 . . 1 . . . . . 34 ILE H . 51959 1 128 . 1 . 1 34 34 ILE C C 13 177.335 . . 1 . . . . . 34 ILE C . 51959 1 129 . 1 . 1 34 34 ILE CA C 13 65.766 . . 1 . . . . . 34 ILE CA . 51959 1 130 . 1 . 1 34 34 ILE N N 15 121.121 . . 1 . . . . . 34 ILE N . 51959 1 131 . 1 . 1 35 35 ALA H H 1 8.273 . . 1 . . . . . 35 ALA H . 51959 1 132 . 1 . 1 35 35 ALA C C 13 181.145 . . 1 . . . . . 35 ALA C . 51959 1 133 . 1 . 1 35 35 ALA CA C 13 55.178 . . 1 . . . . . 35 ALA CA . 51959 1 134 . 1 . 1 35 35 ALA N N 15 120.355 . . 1 . . . . . 35 ALA N . 51959 1 135 . 1 . 1 36 36 GLU H H 1 8.173 . . 1 . . . . . 36 GLU H . 51959 1 136 . 1 . 1 36 36 GLU C C 13 180.088 . . 1 . . . . . 36 GLU C . 51959 1 137 . 1 . 1 36 36 GLU CA C 13 59.513 . . 1 . . . . . 36 GLU CA . 51959 1 138 . 1 . 1 36 36 GLU N N 15 117.804 . . 1 . . . . . 36 GLU N . 51959 1 139 . 1 . 1 37 37 ARG H H 1 8.010 . . 1 . . . . . 37 ARG H . 51959 1 140 . 1 . 1 37 37 ARG C C 13 178.664 . . 1 . . . . . 37 ARG C . 51959 1 141 . 1 . 1 37 37 ARG CA C 13 57.558 . . 1 . . . . . 37 ARG CA . 51959 1 142 . 1 . 1 37 37 ARG N N 15 117.628 . . 1 . . . . . 37 ARG N . 51959 1 143 . 1 . 1 38 38 MET H H 1 8.169 . . 1 . . . . . 38 MET H . 51959 1 144 . 1 . 1 38 38 MET C C 13 177.719 . . 1 . . . . . 38 MET C . 51959 1 145 . 1 . 1 38 38 MET CA C 13 55.784 . . 1 . . . . . 38 MET CA . 51959 1 146 . 1 . 1 38 38 MET N N 15 114.776 . . 1 . . . . . 38 MET N . 51959 1 147 . 1 . 1 39 39 SER H H 1 7.623 . . 1 . . . . . 39 SER H . 51959 1 148 . 1 . 1 39 39 SER C C 13 175.724 . . 1 . . . . . 39 SER C . 51959 1 149 . 1 . 1 39 39 SER CA C 13 61.927 . . 1 . . . . . 39 SER CA . 51959 1 150 . 1 . 1 39 39 SER N N 15 115.944 . . 1 . . . . . 39 SER N . 51959 1 151 . 1 . 1 40 40 SER H H 1 8.016 . . 1 . . . . . 40 SER H . 51959 1 152 . 1 . 1 40 40 SER C C 13 173.757 . . 1 . . . . . 40 SER C . 51959 1 153 . 1 . 1 40 40 SER CA C 13 59.550 . . 1 . . . . . 40 SER CA . 51959 1 154 . 1 . 1 40 40 SER N N 15 115.536 . . 1 . . . . . 40 SER N . 51959 1 155 . 1 . 1 41 41 PHE H H 1 7.712 . . 1 . . . . . 41 PHE H . 51959 1 156 . 1 . 1 41 41 PHE C C 13 174.746 . . 1 . . . . . 41 PHE C . 51959 1 157 . 1 . 1 41 41 PHE CA C 13 56.958 . . 1 . . . . . 41 PHE CA . 51959 1 158 . 1 . 1 41 41 PHE N N 15 119.810 . . 1 . . . . . 41 PHE N . 51959 1 159 . 1 . 1 42 42 GLU H H 1 8.358 . . 1 . . . . . 42 GLU H . 51959 1 160 . 1 . 1 42 42 GLU C C 13 175.256 . . 1 . . . . . 42 GLU C . 51959 1 161 . 1 . 1 42 42 GLU CA C 13 55.976 . . 1 . . . . . 42 GLU CA . 51959 1 162 . 1 . 1 42 42 GLU N N 15 120.922 . . 1 . . . . . 42 GLU N . 51959 1 163 . 1 . 1 43 43 ILE H H 1 8.082 . . 1 . . . . . 43 ILE H . 51959 1 164 . 1 . 1 43 43 ILE C C 13 176.285 . . 1 . . . . . 43 ILE C . 51959 1 165 . 1 . 1 43 43 ILE CA C 13 59.266 . . 1 . . . . . 43 ILE CA . 51959 1 166 . 1 . 1 43 43 ILE N N 15 122.731 . . 1 . . . . . 43 ILE N . 51959 1 167 . 1 . 1 44 44 GLU H H 1 8.580 . . 1 . . . . . 44 GLU H . 51959 1 168 . 1 . 1 44 44 GLU C C 13 178.197 . . 1 . . . . . 44 GLU C . 51959 1 169 . 1 . 1 44 44 GLU CA C 13 55.850 . . 1 . . . . . 44 GLU CA . 51959 1 170 . 1 . 1 44 44 GLU N N 15 125.713 . . 1 . . . . . 44 GLU N . 51959 1 171 . 1 . 1 45 45 SER H H 1 8.920 . . 1 . . . . . 45 SER H . 51959 1 172 . 1 . 1 45 45 SER C C 13 176.419 . . 1 . . . . . 45 SER C . 51959 1 173 . 1 . 1 45 45 SER CA C 13 62.198 . . 1 . . . . . 45 SER CA . 51959 1 174 . 1 . 1 45 45 SER N N 15 118.407 . . 1 . . . . . 45 SER N . 51959 1 175 . 1 . 1 46 46 ASP H H 1 8.737 . . 1 . . . . . 46 ASP H . 51959 1 176 . 1 . 1 46 46 ASP C C 13 178.606 . . 1 . . . . . 46 ASP C . 51959 1 177 . 1 . 1 46 46 ASP CA C 13 56.851 . . 1 . . . . . 46 ASP CA . 51959 1 178 . 1 . 1 46 46 ASP N N 15 119.618 . . 1 . . . . . 46 ASP N . 51959 1 179 . 1 . 1 47 47 GLN H H 1 7.442 . . 1 . . . . . 47 GLN H . 51959 1 180 . 1 . 1 47 47 GLN C C 13 179.403 . . 1 . . . . . 47 GLN C . 51959 1 181 . 1 . 1 47 47 GLN CA C 13 58.295 . . 1 . . . . . 47 GLN CA . 51959 1 182 . 1 . 1 47 47 GLN N N 15 119.215 . . 1 . . . . . 47 GLN N . 51959 1 183 . 1 . 1 48 48 MET H H 1 7.725 . . 1 . . . . . 48 MET H . 51959 1 184 . 1 . 1 48 48 MET C C 13 177.094 . . 1 . . . . . 48 MET C . 51959 1 185 . 1 . 1 48 48 MET CA C 13 56.453 . . 1 . . . . . 48 MET CA . 51959 1 186 . 1 . 1 48 48 MET N N 15 121.012 . . 1 . . . . . 48 MET N . 51959 1 187 . 1 . 1 49 49 ASP H H 1 8.209 . . 1 . . . . . 49 ASP H . 51959 1 188 . 1 . 1 49 49 ASP C C 13 179.501 . . 1 . . . . . 49 ASP C . 51959 1 189 . 1 . 1 49 49 ASP CA C 13 57.794 . . 1 . . . . . 49 ASP CA . 51959 1 190 . 1 . 1 49 49 ASP N N 15 119.318 . . 1 . . . . . 49 ASP N . 51959 1 191 . 1 . 1 50 50 GLU H H 1 7.700 . . 1 . . . . . 50 GLU H . 51959 1 192 . 1 . 1 50 50 GLU C C 13 179.028 . . 1 . . . . . 50 GLU C . 51959 1 193 . 1 . 1 50 50 GLU CA C 13 59.351 . . 1 . . . . . 50 GLU CA . 51959 1 194 . 1 . 1 50 50 GLU N N 15 118.946 . . 1 . . . . . 50 GLU N . 51959 1 195 . 1 . 1 51 51 TYR H H 1 7.628 . . 1 . . . . . 51 TYR H . 51959 1 196 . 1 . 1 51 51 TYR C C 13 177.583 . . 1 . . . . . 51 TYR C . 51959 1 197 . 1 . 1 51 51 TYR CA C 13 59.670 . . 1 . . . . . 51 TYR CA . 51959 1 198 . 1 . 1 51 51 TYR N N 15 122.685 . . 1 . . . . . 51 TYR N . 51959 1 199 . 1 . 1 52 52 TYR H H 1 8.643 . . 1 . . . . . 52 TYR H . 51959 1 200 . 1 . 1 52 52 TYR C C 13 180.292 . . 1 . . . . . 52 TYR C . 51959 1 201 . 1 . 1 52 52 TYR CA C 13 58.479 . . 1 . . . . . 52 TYR CA . 51959 1 202 . 1 . 1 52 52 TYR N N 15 118.659 . . 1 . . . . . 52 TYR N . 51959 1 203 . 1 . 1 53 53 GLU H H 1 8.126 . . 1 . . . . . 53 GLU H . 51959 1 204 . 1 . 1 53 53 GLU C C 13 178.932 . . 1 . . . . . 53 GLU C . 51959 1 205 . 1 . 1 53 53 GLU CA C 13 59.523 . . 1 . . . . . 53 GLU CA . 51959 1 206 . 1 . 1 53 53 GLU N N 15 120.538 . . 1 . . . . . 53 GLU N . 51959 1 207 . 1 . 1 54 54 PHE H H 1 8.191 . . 1 . . . . . 54 PHE H . 51959 1 208 . 1 . 1 54 54 PHE C C 13 177.492 . . 1 . . . . . 54 PHE C . 51959 1 209 . 1 . 1 54 54 PHE CA C 13 60.891 . . 1 . . . . . 54 PHE CA . 51959 1 210 . 1 . 1 54 54 PHE N N 15 123.449 . . 1 . . . . . 54 PHE N . 51959 1 211 . 1 . 1 55 55 LEU H H 1 8.600 . . 1 . . . . . 55 LEU H . 51959 1 212 . 1 . 1 55 55 LEU C C 13 179.541 . . 1 . . . . . 55 LEU C . 51959 1 213 . 1 . 1 55 55 LEU CA C 13 58.399 . . 1 . . . . . 55 LEU CA . 51959 1 214 . 1 . 1 55 55 LEU N N 15 120.500 . . 1 . . . . . 55 LEU N . 51959 1 215 . 1 . 1 56 56 GLY H H 1 7.804 . . 1 . . . . . 56 GLY H . 51959 1 216 . 1 . 1 56 56 GLY C C 13 178.390 . . 1 . . . . . 56 GLY C . 51959 1 217 . 1 . 1 56 56 GLY CA C 13 47.341 . . 1 . . . . . 56 GLY CA . 51959 1 218 . 1 . 1 56 56 GLY N N 15 105.848 . . 1 . . . . . 56 GLY N . 51959 1 219 . 1 . 1 57 57 GLU H H 1 7.925 . . 1 . . . . . 57 GLU H . 51959 1 220 . 1 . 1 57 57 GLU C C 13 178.362 . . 1 . . . . . 57 GLU C . 51959 1 221 . 1 . 1 57 57 GLU CA C 13 58.741 . . 1 . . . . . 57 GLU CA . 51959 1 222 . 1 . 1 57 57 GLU N N 15 123.827 . . 1 . . . . . 57 GLU N . 51959 1 223 . 1 . 1 58 58 GLN H H 1 7.523 . . 1 . . . . . 58 GLN H . 51959 1 224 . 1 . 1 58 58 GLN C C 13 175.422 . . 1 . . . . . 58 GLN C . 51959 1 225 . 1 . 1 58 58 GLN CA C 13 54.390 . . 1 . . . . . 58 GLN CA . 51959 1 226 . 1 . 1 58 58 GLN N N 15 115.538 . . 1 . . . . . 58 GLN N . 51959 1 227 . 1 . 1 59 59 GLY H H 1 7.660 . . 1 . . . . . 59 GLY H . 51959 1 228 . 1 . 1 59 59 GLY C C 13 173.835 . . 1 . . . . . 59 GLY C . 51959 1 229 . 1 . 1 59 59 GLY CA C 13 45.503 . . 1 . . . . . 59 GLY CA . 51959 1 230 . 1 . 1 59 59 GLY N N 15 106.787 . . 1 . . . . . 59 GLY N . 51959 1 231 . 1 . 1 60 60 VAL H H 1 7.762 . . 1 . . . . . 60 VAL H . 51959 1 232 . 1 . 1 60 60 VAL C C 13 174.634 . . 1 . . . . . 60 VAL C . 51959 1 233 . 1 . 1 60 60 VAL CA C 13 61.836 . . 1 . . . . . 60 VAL CA . 51959 1 234 . 1 . 1 60 60 VAL N N 15 122.173 . . 1 . . . . . 60 VAL N . 51959 1 235 . 1 . 1 61 61 GLU H H 1 7.861 . . 1 . . . . . 61 GLU H . 51959 1 236 . 1 . 1 61 61 GLU C C 13 173.898 . . 1 . . . . . 61 GLU C . 51959 1 237 . 1 . 1 61 61 GLU CA C 13 55.954 . . 1 . . . . . 61 GLU CA . 51959 1 238 . 1 . 1 61 61 GLU N N 15 128.434 . . 1 . . . . . 61 GLU N . 51959 1 239 . 1 . 1 62 62 LEU H H 1 7.841 . . 1 . . . . . 62 LEU H . 51959 1 240 . 1 . 1 62 62 LEU C C 13 176.823 . . 1 . . . . . 62 LEU C . 51959 1 241 . 1 . 1 62 62 LEU CA C 13 53.111 . . 1 . . . . . 62 LEU CA . 51959 1 242 . 1 . 1 62 62 LEU N N 15 124.420 . . 1 . . . . . 62 LEU N . 51959 1 243 . 1 . 1 63 63 ILE H H 1 7.838 . . 1 . . . . . 63 ILE H . 51959 1 244 . 1 . 1 63 63 ILE C C 13 174.724 . . 1 . . . . . 63 ILE C . 51959 1 245 . 1 . 1 63 63 ILE CA C 13 58.811 . . 1 . . . . . 63 ILE CA . 51959 1 246 . 1 . 1 63 63 ILE N N 15 117.459 . . 1 . . . . . 63 ILE N . 51959 1 247 . 1 . 1 64 64 SER H H 1 8.613 . . 1 . . . . . 64 SER H . 51959 1 248 . 1 . 1 64 64 SER C C 13 175.706 . . 1 . . . . . 64 SER C . 51959 1 249 . 1 . 1 64 64 SER CA C 13 56.886 . . 1 . . . . . 64 SER CA . 51959 1 250 . 1 . 1 64 64 SER N N 15 116.102 . . 1 . . . . . 64 SER N . 51959 1 251 . 1 . 1 65 65 GLU H H 1 9.760 . . 1 . . . . . 65 GLU H . 51959 1 252 . 1 . 1 65 65 GLU C C 13 176.468 . . 1 . . . . . 65 GLU C . 51959 1 253 . 1 . 1 65 65 GLU CA C 13 57.799 . . 1 . . . . . 65 GLU CA . 51959 1 254 . 1 . 1 65 65 GLU N N 15 127.197 . . 1 . . . . . 65 GLU N . 51959 1 255 . 1 . 1 66 66 ASN H H 1 8.400 . . 1 . . . . . 66 ASN H . 51959 1 256 . 1 . 1 66 66 ASN C C 13 175.144 . . 1 . . . . . 66 ASN C . 51959 1 257 . 1 . 1 66 66 ASN CA C 13 53.168 . . 1 . . . . . 66 ASN CA . 51959 1 258 . 1 . 1 66 66 ASN N N 15 118.025 . . 1 . . . . . 66 ASN N . 51959 1 259 . 1 . 1 67 67 GLU H H 1 8.258 . . 1 . . . . . 67 GLU H . 51959 1 260 . 1 . 1 67 67 GLU C C 13 176.580 . . 1 . . . . . 67 GLU C . 51959 1 261 . 1 . 1 67 67 GLU CA C 13 56.895 . . 1 . . . . . 67 GLU CA . 51959 1 262 . 1 . 1 67 67 GLU N N 15 121.192 . . 1 . . . . . 67 GLU N . 51959 1 263 . 1 . 1 68 68 GLU H H 1 8.368 . . 1 . . . . . 68 GLU H . 51959 1 264 . 1 . 1 68 68 GLU C C 13 176.748 . . 1 . . . . . 68 GLU C . 51959 1 265 . 1 . 1 68 68 GLU CA C 13 56.768 . . 1 . . . . . 68 GLU CA . 51959 1 266 . 1 . 1 68 68 GLU N N 15 121.610 . . 1 . . . . . 68 GLU N . 51959 1 267 . 1 . 1 69 69 THR H H 1 8.072 . . 1 . . . . . 69 THR H . 51959 1 268 . 1 . 1 69 69 THR C C 13 174.654 . . 1 . . . . . 69 THR C . 51959 1 269 . 1 . 1 69 69 THR CA C 13 61.918 . . 1 . . . . . 69 THR CA . 51959 1 270 . 1 . 1 69 69 THR N N 15 114.690 . . 1 . . . . . 69 THR N . 51959 1 271 . 1 . 1 70 70 GLU H H 1 8.381 . . 1 . . . . . 70 GLU H . 51959 1 272 . 1 . 1 70 70 GLU C C 13 176.070 . . 1 . . . . . 70 GLU C . 51959 1 273 . 1 . 1 70 70 GLU CA C 13 56.866 . . 1 . . . . . 70 GLU CA . 51959 1 274 . 1 . 1 70 70 GLU N N 15 122.921 . . 1 . . . . . 70 GLU N . 51959 1 275 . 1 . 1 71 71 ASP H H 1 8.331 . . 1 . . . . . 71 ASP H . 51959 1 276 . 1 . 1 71 71 ASP C C 13 176.467 . . 1 . . . . . 71 ASP C . 51959 1 277 . 1 . 1 71 71 ASP CA C 13 53.958 . . 1 . . . . . 71 ASP CA . 51959 1 278 . 1 . 1 71 71 ASP N N 15 121.243 . . 1 . . . . . 71 ASP N . 51959 1 279 . 1 . 1 72 72 LEU H H 1 8.167 . . 1 . . . . . 72 LEU H . 51959 1 280 . 1 . 1 72 72 LEU C C 13 178.066 . . 1 . . . . . 72 LEU C . 51959 1 281 . 1 . 1 72 72 LEU CA C 13 56.178 . . 1 . . . . . 72 LEU CA . 51959 1 282 . 1 . 1 72 72 LEU N N 15 122.484 . . 1 . . . . . 72 LEU N . 51959 1 283 . 1 . 1 73 73 GLU H H 1 8.226 . . 1 . . . . . 73 GLU H . 51959 1 284 . 1 . 1 73 73 GLU CA C 13 57.029 . . 1 . . . . . 73 GLU CA . 51959 1 285 . 1 . 1 73 73 GLU N N 15 118.596 . . 1 . . . . . 73 GLU N . 51959 1 286 . 1 . 1 74 74 HIS H H 1 7.993 . . 1 . . . . . 74 HIS H . 51959 1 287 . 1 . 1 74 74 HIS N N 15 117.038 . . 1 . . . . . 74 HIS N . 51959 1 288 . 1 . 1 75 75 HIS H H 1 8.226 . . 1 . . . . . 75 HIS H . 51959 1 289 . 1 . 1 75 75 HIS N N 15 118.596 . . 1 . . . . . 75 HIS N . 51959 1 290 . 1 . 1 76 76 HIS H H 1 8.478 . . 1 . . . . . 76 HIS H . 51959 1 291 . 1 . 1 76 76 HIS N N 15 119.515 . . 1 . . . . . 76 HIS N . 51959 1 292 . 1 . 1 77 77 HIS H H 1 8.189 . . 1 . . . . . 77 HIS H . 51959 1 293 . 1 . 1 77 77 HIS N N 15 125.326 . . 1 . . . . . 77 HIS N . 51959 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 51959 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Name 'minor state backbone chemical shifts' _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 ; Backbone chemical shifts of the minor state derived from CEST and CPMG profiles, from which we could accurately obtain Do between major and minor conformations. ; _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 '13CO CEST' . . . 51959 2 2 '13CA CEST' . . . 51959 2 3 'HACACONNH 13 CA CEST' . . . 51959 2 4 '1HN CEST' . . . 51959 2 5 '1HN CEST' . . . 51959 2 6 '15N CEST' . . . 51959 2 7 '15N CPMG' . . . 51959 2 8 '15N CPMG' . . . 51959 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 . . 51959 2 2 $software_2 . . 51959 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 2 2 ASP C C 13 176.012 0.000 . 1 . . . . . 2 ASP C . 51959 2 2 . 1 . 1 2 2 ASP CA C 13 54.370 0.000 . 1 . . . . . 2 ASP CA . 51959 2 3 . 1 . 1 3 3 LYS H H 1 8.413 0.000 . 1 . . . . . 3 LYS H . 51959 2 4 . 1 . 1 3 3 LYS C C 13 176.471 0.000 . 1 . . . . . 3 LYS C . 51959 2 5 . 1 . 1 3 3 LYS CA C 13 56.337 0.000 . 1 . . . . . 3 LYS CA . 51959 2 6 . 1 . 1 3 3 LYS N N 15 121.683 0.000 . 1 . . . . . 3 LYS N . 51959 2 7 . 1 . 1 4 4 GLN H H 1 8.533 0.000 . 1 . . . . . 4 GLN H . 51959 2 8 . 1 . 1 4 4 GLN C C 13 176.159 0.000 . 1 . . . . . 4 GLN C . 51959 2 9 . 1 . 1 4 4 GLN CA C 13 55.741 0.000 . 1 . . . . . 4 GLN CA . 51959 2 10 . 1 . 1 4 4 GLN N N 15 121.755 0.000 . 1 . . . . . 4 GLN N . 51959 2 11 . 1 . 1 5 5 THR H H 1 8.181 0.000 . 1 . . . . . 5 THR H . 51959 2 12 . 1 . 1 5 5 THR C C 13 174.265 0.000 . 1 . . . . . 5 THR C . 51959 2 13 . 1 . 1 5 5 THR CA C 13 61.857 0.000 . 1 . . . . . 5 THR CA . 51959 2 14 . 1 . 1 5 5 THR N N 15 115.348 0.000 . 1 . . . . . 5 THR N . 51959 2 15 . 1 . 1 6 6 HIS H H 1 8.427 0.000 . 1 . . . . . 6 HIS H . 51959 2 16 . 1 . 1 6 6 HIS C C 13 174.867 0.000 . 1 . . . . . 6 HIS C . 51959 2 17 . 1 . 1 6 6 HIS CA C 13 55.654 0.000 . 1 . . . . . 6 HIS CA . 51959 2 18 . 1 . 1 6 6 HIS N N 15 120.842 0.000 . 1 . . . . . 6 HIS N . 51959 2 19 . 1 . 1 7 7 GLU H H 1 8.509 0.000 . 1 . . . . . 7 GLU H . 51959 2 20 . 1 . 1 7 7 GLU C C 13 176.529 0.000 . 1 . . . . . 7 GLU C . 51959 2 21 . 1 . 1 7 7 GLU CA C 13 56.982 0.000 . 1 . . . . . 7 GLU CA . 51959 2 22 . 1 . 1 7 7 GLU N N 15 122.446 0.000 . 1 . . . . . 7 GLU N . 51959 2 23 . 1 . 1 8 8 THR H H 1 8.169 0.000 . 1 . . . . . 8 THR H . 51959 2 24 . 1 . 1 8 8 THR C C 13 174.238 0.000 . 1 . . . . . 8 THR C . 51959 2 25 . 1 . 1 8 8 THR CA C 13 61.810 0.000 . 1 . . . . . 8 THR CA . 51959 2 26 . 1 . 1 8 8 THR N N 15 114.776 0.000 . 1 . . . . . 8 THR N . 51959 2 27 . 1 . 1 9 9 GLU H H 1 8.444 0.000 . 1 . . . . . 9 GLU H . 51959 2 28 . 1 . 1 9 9 GLU C C 13 176.136 0.000 . 1 . . . . . 9 GLU C . 51959 2 29 . 1 . 1 9 9 GLU CA C 13 56.412 0.000 . 1 . . . . . 9 GLU CA . 51959 2 30 . 1 . 1 9 9 GLU N N 15 123.866 0.000 . 1 . . . . . 9 GLU N . 51959 2 31 . 1 . 1 10 10 LEU H H 1 8.149 0.000 . 1 . . . . . 10 LEU H . 51959 2 32 . 1 . 1 10 10 LEU C C 13 177.281 0.000 . 1 . . . . . 10 LEU C . 51959 2 33 . 1 . 1 10 10 LEU CA C 13 54.685 0.000 . 1 . . . . . 10 LEU CA . 51959 2 34 . 1 . 1 10 10 LEU N N 15 123.179 0.000 . 1 . . . . . 10 LEU N . 51959 2 35 . 1 . 1 11 11 THR H H 1 8.076 0.011 . 1 . . . . . 11 THR H . 51959 2 36 . 1 . 1 11 11 THR C C 13 174.402 0.000 . 1 . . . . . 11 THR C . 51959 2 37 . 1 . 1 11 11 THR CA C 13 60.060 0.196 . 1 . . . . . 11 THR CA . 51959 2 38 . 1 . 1 11 11 THR N N 15 113.350 0.601 . 1 . . . . . 11 THR N . 51959 2 39 . 1 . 1 12 12 PHE H H 1 8.287 0.002 . 1 . . . . . 12 PHE H . 51959 2 40 . 1 . 1 12 12 PHE C C 13 175.900 0.494 . 1 . . . . . 12 PHE C . 51959 2 41 . 1 . 1 12 12 PHE CA C 13 58.844 0.168 . 1 . . . . . 12 PHE CA . 51959 2 42 . 1 . 1 12 12 PHE N N 15 122.489 0.000 . 1 . . . . . 12 PHE N . 51959 2 43 . 1 . 1 13 13 ASP H H 1 8.286 0.014 . 1 . . . . . 13 ASP H . 51959 2 44 . 1 . 1 13 13 ASP C C 13 176.720 0.314 . 1 . . . . . 13 ASP C . 51959 2 45 . 1 . 1 13 13 ASP CA C 13 55.250 0.119 . 1 . . . . . 13 ASP CA . 51959 2 46 . 1 . 1 13 13 ASP N N 15 120.966 0.054 . 1 . . . . . 13 ASP N . 51959 2 47 . 1 . 1 14 14 GLN H H 1 8.079 0.003 . 1 . . . . . 14 GLN H . 51959 2 48 . 1 . 1 14 14 GLN C C 13 176.853 0.300 . 1 . . . . . 14 GLN C . 51959 2 49 . 1 . 1 14 14 GLN CA C 13 56.996 0.155 . 1 . . . . . 14 GLN CA . 51959 2 50 . 1 . 1 14 14 GLN N N 15 118.713 0.180 . 1 . . . . . 14 GLN N . 51959 2 51 . 1 . 1 15 15 VAL H H 1 8.089 0.008 . 1 . . . . . 15 VAL H . 51959 2 52 . 1 . 1 15 15 VAL C C 13 177.303 0.356 . 1 . . . . . 15 VAL C . 51959 2 53 . 1 . 1 15 15 VAL CA C 13 63.732 0.185 . 1 . . . . . 15 VAL CA . 51959 2 54 . 1 . 1 15 15 VAL N N 15 121.476 0.173 . 1 . . . . . 15 VAL N . 51959 2 55 . 1 . 1 16 16 LYS H H 1 8.242 0.016 . 1 . . . . . 16 LYS H . 51959 2 56 . 1 . 1 16 16 LYS CA C 13 57.438 0.245 . 1 . . . . . 16 LYS CA . 51959 2 57 . 1 . 1 16 16 LYS N N 15 123.733 0.046 . 1 . . . . . 16 LYS N . 51959 2 58 . 1 . 1 17 17 GLU H H 1 8.196 0.016 . 1 . . . . . 17 GLU H . 51959 2 59 . 1 . 1 17 17 GLU C C 13 176.930 0.300 . 1 . . . . . 17 GLU C . 51959 2 60 . 1 . 1 17 17 GLU CA C 13 57.746 0.453 . 1 . . . . . 17 GLU CA . 51959 2 61 . 1 . 1 17 17 GLU N N 15 121.111 0.055 . 1 . . . . . 17 GLU N . 51959 2 62 . 1 . 1 18 18 GLN H H 1 8.153 0.030 . 1 . . . . . 18 GLN H . 51959 2 63 . 1 . 1 18 18 GLN C C 13 176.406 0.209 . 1 . . . . . 18 GLN C . 51959 2 64 . 1 . 1 18 18 GLN CA C 13 56.501 0.120 . 1 . . . . . 18 GLN CA . 51959 2 65 . 1 . 1 18 18 GLN N N 15 120.845 0.042 . 1 . . . . . 18 GLN N . 51959 2 66 . 1 . 1 19 19 LEU H H 1 8.225 0.005 . 1 . . . . . 19 LEU H . 51959 2 67 . 1 . 1 19 19 LEU C C 13 178.099 0.248 . 1 . . . . . 19 LEU C . 51959 2 68 . 1 . 1 19 19 LEU CA C 13 55.382 0.094 . 1 . . . . . 19 LEU CA . 51959 2 69 . 1 . 1 19 19 LEU N N 15 122.797 0.000 . 1 . . . . . 19 LEU N . 51959 2 70 . 1 . 1 20 20 THR H H 1 8.111 0.014 . 1 . . . . . 20 THR H . 51959 2 71 . 1 . 1 20 20 THR C C 13 175.042 0.445 . 1 . . . . . 20 THR C . 51959 2 72 . 1 . 1 20 20 THR CA C 13 62.327 0.191 . 1 . . . . . 20 THR CA . 51959 2 73 . 1 . 1 20 20 THR N N 15 115.227 0.398 . 1 . . . . . 20 THR N . 51959 2 74 . 1 . 1 21 21 GLU H H 1 8.397 0.008 . 1 . . . . . 21 GLU H . 51959 2 75 . 1 . 1 21 21 GLU C C 13 177.406 0.336 . 1 . . . . . 21 GLU C . 51959 2 76 . 1 . 1 21 21 GLU CA C 13 57.342 0.148 . 1 . . . . . 21 GLU CA . 51959 2 77 . 1 . 1 21 21 GLU N N 15 122.930 0.065 . 1 . . . . . 21 GLU N . 51959 2 78 . 1 . 1 22 22 SER H H 1 8.234 0.027 . 1 . . . . . 22 SER H . 51959 2 79 . 1 . 1 22 22 SER C C 13 175.707 0.339 . 1 . . . . . 22 SER C . 51959 2 80 . 1 . 1 22 22 SER CA C 13 59.587 0.308 . 1 . . . . . 22 SER CA . 51959 2 81 . 1 . 1 22 22 SER N N 15 116.535 0.136 . 1 . . . . . 22 SER N . 51959 2 82 . 1 . 1 23 23 GLY H H 1 8.339 0.006 . 1 . . . . . 23 GLY H . 51959 2 83 . 1 . 1 23 23 GLY C C 13 174.830 0.497 . 1 . . . . . 23 GLY C . 51959 2 84 . 1 . 1 23 23 GLY CA C 13 46.343 0.714 . 1 . . . . . 23 GLY CA . 51959 2 85 . 1 . 1 23 23 GLY N N 15 110.252 0.000 . 1 . . . . . 23 GLY N . 51959 2 86 . 1 . 1 24 24 LYS H H 1 7.941 0.003 . 1 . . . . . 24 LYS H . 51959 2 87 . 1 . 1 24 24 LYS C C 13 177.116 0.331 . 1 . . . . . 24 LYS C . 51959 2 88 . 1 . 1 24 24 LYS CA C 13 56.703 0.212 . 1 . . . . . 24 LYS CA . 51959 2 89 . 1 . 1 24 24 LYS N N 15 121.246 0.620 . 1 . . . . . 24 LYS N . 51959 2 90 . 1 . 1 25 25 LYS H H 1 8.224 0.003 . 1 . . . . . 25 LYS H . 51959 2 91 . 1 . 1 25 25 LYS C C 13 176.723 0.270 . 1 . . . . . 25 LYS C . 51959 2 92 . 1 . 1 25 25 LYS CA C 13 56.810 0.268 . 1 . . . . . 25 LYS CA . 51959 2 93 . 1 . 1 25 25 LYS N N 15 122.167 0.071 . 1 . . . . . 25 LYS N . 51959 2 94 . 1 . 1 26 26 ARG H H 1 8.274 0.003 . 1 . . . . . 26 ARG H . 51959 2 95 . 1 . 1 26 26 ARG C C 13 176.897 0.481 . 1 . . . . . 26 ARG C . 51959 2 96 . 1 . 1 26 26 ARG CA C 13 57.145 1.091 . 1 . . . . . 26 ARG CA . 51959 2 97 . 1 . 1 26 26 ARG N N 15 122.207 0.106 . 1 . . . . . 26 ARG N . 51959 2 98 . 1 . 1 27 27 GLY H H 1 8.408 0.010 . 1 . . . . . 27 GLY H . 51959 2 99 . 1 . 1 27 27 GLY C C 13 173.651 0.449 . 1 . . . . . 27 GLY C . 51959 2 100 . 1 . 1 27 27 GLY CA C 13 45.307 0.000 . 1 . . . . . 27 GLY CA . 51959 2 101 . 1 . 1 27 27 GLY N N 15 110.175 0.386 . 1 . . . . . 27 GLY N . 51959 2 102 . 1 . 1 28 28 VAL H H 1 7.923 0.003 . 1 . . . . . 28 VAL H . 51959 2 103 . 1 . 1 28 28 VAL C C 13 175.912 0.279 . 1 . . . . . 28 VAL C . 51959 2 104 . 1 . 1 28 28 VAL CA C 13 61.587 0.129 . 1 . . . . . 28 VAL CA . 51959 2 105 . 1 . 1 28 28 VAL N N 15 119.049 0.057 . 1 . . . . . 28 VAL N . 51959 2 106 . 1 . 1 29 29 LEU H H 1 8.247 0.000 . 1 . . . . . 29 LEU H . 51959 2 107 . 1 . 1 29 29 LEU C C 13 177.276 0.337 . 1 . . . . . 29 LEU C . 51959 2 108 . 1 . 1 29 29 LEU CA C 13 53.315 0.000 . 1 . . . . . 29 LEU CA . 51959 2 109 . 1 . 1 29 29 LEU N N 15 125.759 0.035 . 1 . . . . . 29 LEU N . 51959 2 110 . 1 . 1 30 30 THR H H 1 8.241 0.020 . 1 . . . . . 30 THR H . 51959 2 111 . 1 . 1 30 30 THR C C 13 174.695 0.336 . 1 . . . . . 30 THR C . 51959 2 112 . 1 . 1 30 30 THR CA C 13 60.802 0.136 . 1 . . . . . 30 THR CA . 51959 2 113 . 1 . 1 30 30 THR N N 15 113.109 0.353 . 1 . . . . . 30 THR N . 51959 2 114 . 1 . 1 31 31 TYR H H 1 8.419 0.000 . 1 . . . . . 31 TYR H . 51959 2 115 . 1 . 1 31 31 TYR C C 13 176.674 0.307 . 1 . . . . . 31 TYR C . 51959 2 116 . 1 . 1 31 31 TYR CA C 13 59.846 0.127 . 1 . . . . . 31 TYR CA . 51959 2 117 . 1 . 1 31 31 TYR N N 15 121.426 0.082 . 1 . . . . . 31 TYR N . 51959 2 118 . 1 . 1 32 32 GLU H H 1 8.441 0.024 . 1 . . . . . 32 GLU H . 51959 2 119 . 1 . 1 32 32 GLU C C 13 177.355 0.366 . 1 . . . . . 32 GLU C . 51959 2 120 . 1 . 1 32 32 GLU CA C 13 58.182 0.208 . 1 . . . . . 32 GLU CA . 51959 2 121 . 1 . 1 32 32 GLU N N 15 121.089 0.059 . 1 . . . . . 32 GLU N . 51959 2 122 . 1 . 1 33 33 GLU H H 1 8.045 0.003 . 1 . . . . . 33 GLU H . 51959 2 123 . 1 . 1 33 33 GLU C C 13 178.149 0.400 . 1 . . . . . 33 GLU C . 51959 2 124 . 1 . 1 33 33 GLU CA C 13 57.735 0.319 . 1 . . . . . 33 GLU CA . 51959 2 125 . 1 . 1 33 33 GLU N N 15 121.448 0.129 . 1 . . . . . 33 GLU N . 51959 2 126 . 1 . 1 34 34 ILE H H 1 8.011 0.005 . 1 . . . . . 34 ILE H . 51959 2 127 . 1 . 1 34 34 ILE C C 13 177.278 0.000 . 1 . . . . . 34 ILE C . 51959 2 128 . 1 . 1 34 34 ILE CA C 13 63.242 0.132 . 1 . . . . . 34 ILE CA . 51959 2 129 . 1 . 1 34 34 ILE N N 15 121.121 0.000 . 1 . . . . . 34 ILE N . 51959 2 130 . 1 . 1 35 35 ALA H H 1 8.143 0.016 . 1 . . . . . 35 ALA H . 51959 2 131 . 1 . 1 35 35 ALA C C 13 179.296 0.362 . 1 . . . . . 35 ALA C . 51959 2 132 . 1 . 1 35 35 ALA CA C 13 54.012 0.165 . 1 . . . . . 35 ALA CA . 51959 2 133 . 1 . 1 35 35 ALA N N 15 125.502 0.045 . 1 . . . . . 35 ALA N . 51959 2 134 . 1 . 1 36 36 GLU H H 1 8.173 0.000 . 1 . . . . . 36 GLU H . 51959 2 135 . 1 . 1 36 36 GLU C C 13 177.442 0.253 . 1 . . . . . 36 GLU C . 51959 2 136 . 1 . 1 36 36 GLU CA C 13 57.934 0.168 . 1 . . . . . 36 GLU CA . 51959 2 137 . 1 . 1 36 36 GLU N N 15 118.689 0.204 . 1 . . . . . 36 GLU N . 51959 2 138 . 1 . 1 37 37 ARG H H 1 8.010 0.000 . 1 . . . . . 37 ARG H . 51959 2 139 . 1 . 1 37 37 ARG CA C 13 57.474 0.000 . 1 . . . . . 37 ARG CA . 51959 2 140 . 1 . 1 37 37 ARG N N 15 120.683 0.045 . 1 . . . . . 37 ARG N . 51959 2 141 . 1 . 1 38 38 MET C C 13 177.001 0.507 . 1 . . . . . 38 MET C . 51959 2 142 . 1 . 1 38 38 MET CA C 13 55.886 0.000 . 1 . . . . . 38 MET CA . 51959 2 143 . 1 . 1 38 38 MET N N 15 119.800 0.076 . 1 . . . . . 38 MET N . 51959 2 144 . 1 . 1 39 39 SER H H 1 8.168 0.001 . 1 . . . . . 39 SER H . 51959 2 145 . 1 . 1 39 39 SER C C 13 174.935 0.743 . 1 . . . . . 39 SER C . 51959 2 146 . 1 . 1 39 39 SER CA C 13 59.250 0.384 . 1 . . . . . 39 SER CA . 51959 2 147 . 1 . 1 39 39 SER N N 15 115.944 0.000 . 1 . . . . . 39 SER N . 51959 2 148 . 1 . 1 40 40 SER H H 1 8.016 0.000 . 1 . . . . . 40 SER H . 51959 2 149 . 1 . 1 40 40 SER C C 13 173.764 0.022 . 1 . . . . . 40 SER C . 51959 2 150 . 1 . 1 40 40 SER CA C 13 59.000 1.080 . 1 . . . . . 40 SER CA . 51959 2 151 . 1 . 1 40 40 SER N N 15 117.137 0.094 . 1 . . . . . 40 SER N . 51959 2 152 . 1 . 1 41 41 PHE H H 1 8.008 0.006 . 1 . . . . . 41 PHE H . 51959 2 153 . 1 . 1 41 41 PHE C C 13 174.931 0.432 . 1 . . . . . 41 PHE C . 51959 2 154 . 1 . 1 41 41 PHE CA C 13 57.167 0.000 . 1 . . . . . 41 PHE CA . 51959 2 155 . 1 . 1 41 41 PHE N N 15 121.443 0.050 . 1 . . . . . 41 PHE N . 51959 2 156 . 1 . 1 42 42 GLU H H 1 8.201 0.005 . 1 . . . . . 42 GLU H . 51959 2 157 . 1 . 1 42 42 GLU C C 13 175.801 0.304 . 1 . . . . . 42 GLU C . 51959 2 158 . 1 . 1 42 42 GLU CA C 13 56.016 0.000 . 1 . . . . . 42 GLU CA . 51959 2 159 . 1 . 1 42 42 GLU N N 15 121.595 0.078 . 1 . . . . . 42 GLU N . 51959 2 160 . 1 . 1 43 43 ILE H H 1 8.146 0.000 . 1 . . . . . 43 ILE H . 51959 2 161 . 1 . 1 43 43 ILE C C 13 176.279 0.000 . 1 . . . . . 43 ILE C . 51959 2 162 . 1 . 1 43 43 ILE CA C 13 60.205 0.404 . 1 . . . . . 43 ILE CA . 51959 2 163 . 1 . 1 43 43 ILE N N 15 121.460 0.081 . 1 . . . . . 43 ILE N . 51959 2 164 . 1 . 1 44 44 GLU H H 1 8.458 0.011 . 1 . . . . . 44 GLU H . 51959 2 165 . 1 . 1 44 44 GLU C C 13 177.361 0.411 . 1 . . . . . 44 GLU C . 51959 2 166 . 1 . 1 44 44 GLU CA C 13 55.935 0.000 . 1 . . . . . 44 GLU CA . 51959 2 167 . 1 . 1 44 44 GLU N N 15 125.122 0.227 . 1 . . . . . 44 GLU N . 51959 2 168 . 1 . 1 45 45 SER H H 1 8.278 0.002 . 1 . . . . . 45 SER H . 51959 2 169 . 1 . 1 45 45 SER C C 13 174.602 0.412 . 1 . . . . . 45 SER C . 51959 2 170 . 1 . 1 45 45 SER CA C 13 59.285 0.183 . 1 . . . . . 45 SER CA . 51959 2 171 . 1 . 1 45 45 SER N N 15 116.925 0.097 . 1 . . . . . 45 SER N . 51959 2 172 . 1 . 1 46 46 ASP H H 1 8.360 0.004 . 1 . . . . . 46 ASP H . 51959 2 173 . 1 . 1 46 46 ASP C C 13 176.440 0.298 . 1 . . . . . 46 ASP C . 51959 2 174 . 1 . 1 46 46 ASP CA C 13 54.955 0.127 . 1 . . . . . 46 ASP CA . 51959 2 175 . 1 . 1 46 46 ASP N N 15 122.298 0.053 . 1 . . . . . 46 ASP N . 51959 2 176 . 1 . 1 47 47 GLN H H 1 8.178 0.007 . 1 . . . . . 47 GLN H . 51959 2 177 . 1 . 1 47 47 GLN C C 13 176.299 0.231 . 1 . . . . . 47 GLN C . 51959 2 178 . 1 . 1 47 47 GLN CA C 13 56.390 0.194 . 1 . . . . . 47 GLN CA . 51959 2 179 . 1 . 1 47 47 GLN N N 15 118.715 0.000 . 1 . . . . . 47 GLN N . 51959 2 180 . 1 . 1 48 48 MET H H 1 8.253 0.027 . 1 . . . . . 48 MET H . 51959 2 181 . 1 . 1 48 48 MET C C 13 176.381 0.384 . 1 . . . . . 48 MET C . 51959 2 182 . 1 . 1 48 48 MET CA C 13 56.325 0.000 . 1 . . . . . 48 MET CA . 51959 2 183 . 1 . 1 48 48 MET N N 15 121.012 0.000 . 1 . . . . . 48 MET N . 51959 2 184 . 1 . 1 49 49 ASP H H 1 8.354 0.004 . 1 . . . . . 49 ASP H . 51959 2 185 . 1 . 1 49 49 ASP C C 13 176.618 0.313 . 1 . . . . . 49 ASP C . 51959 2 186 . 1 . 1 49 49 ASP CA C 13 55.627 0.181 . 1 . . . . . 49 ASP CA . 51959 2 187 . 1 . 1 49 49 ASP N N 15 121.333 0.055 . 1 . . . . . 49 ASP N . 51959 2 188 . 1 . 1 50 50 GLU H H 1 8.284 0.004 . 1 . . . . . 50 GLU H . 51959 2 189 . 1 . 1 50 50 GLU C C 13 176.419 0.257 . 1 . . . . . 50 GLU C . 51959 2 190 . 1 . 1 50 50 GLU CA C 13 57.541 0.147 . 1 . . . . . 50 GLU CA . 51959 2 191 . 1 . 1 50 50 GLU N N 15 120.810 0.052 . 1 . . . . . 50 GLU N . 51959 2 192 . 1 . 1 51 51 TYR H H 1 8.051 0.008 . 1 . . . . . 51 TYR H . 51959 2 193 . 1 . 1 51 51 TYR C C 13 175.743 0.430 . 1 . . . . . 51 TYR C . 51959 2 194 . 1 . 1 51 51 TYR CA C 13 58.874 0.471 . 1 . . . . . 51 TYR CA . 51959 2 195 . 1 . 1 51 51 TYR N N 15 121.304 0.124 . 1 . . . . . 51 TYR N . 51959 2 196 . 1 . 1 52 52 TYR H H 1 7.822 0.012 . 1 . . . . . 52 TYR H . 51959 2 197 . 1 . 1 52 52 TYR C C 13 175.852 0.184 . 1 . . . . . 52 TYR C . 51959 2 198 . 1 . 1 52 52 TYR CA C 13 58.468 0.000 . 1 . . . . . 52 TYR CA . 51959 2 199 . 1 . 1 52 52 TYR N N 15 121.837 0.079 . 1 . . . . . 52 TYR N . 51959 2 200 . 1 . 1 53 53 GLU H H 1 8.126 0.000 . 1 . . . . . 53 GLU H . 51959 2 201 . 1 . 1 53 53 GLU C C 13 176.109 0.230 . 1 . . . . . 53 GLU C . 51959 2 202 . 1 . 1 53 53 GLU CA C 13 57.055 0.107 . 1 . . . . . 53 GLU CA . 51959 2 203 . 1 . 1 53 53 GLU N N 15 122.416 0.056 . 1 . . . . . 53 GLU N . 51959 2 204 . 1 . 1 54 54 PHE H H 1 8.086 0.009 . 1 . . . . . 54 PHE H . 51959 2 205 . 1 . 1 54 54 PHE C C 13 176.613 0.432 . 1 . . . . . 54 PHE C . 51959 2 206 . 1 . 1 54 54 PHE CA C 13 58.461 0.123 . 1 . . . . . 54 PHE CA . 51959 2 207 . 1 . 1 54 54 PHE N N 15 121.454 0.080 . 1 . . . . . 54 PHE N . 51959 2 208 . 1 . 1 55 55 LEU H H 1 8.047 0.005 . 1 . . . . . 55 LEU H . 51959 2 209 . 1 . 1 55 55 LEU C C 13 177.913 0.389 . 1 . . . . . 55 LEU C . 51959 2 210 . 1 . 1 55 55 LEU CA C 13 56.131 0.089 . 1 . . . . . 55 LEU CA . 51959 2 211 . 1 . 1 55 55 LEU N N 15 124.239 0.081 . 1 . . . . . 55 LEU N . 51959 2 212 . 1 . 1 56 56 GLY H H 1 7.804 0.000 . 1 . . . . . 56 GLY H . 51959 2 213 . 1 . 1 56 56 GLY C C 13 174.149 0.162 . 1 . . . . . 56 GLY C . 51959 2 214 . 1 . 1 56 56 GLY CA C 13 45.456 0.119 . 1 . . . . . 56 GLY CA . 51959 2 215 . 1 . 1 56 56 GLY N N 15 107.277 0.472 . 1 . . . . . 56 GLY N . 51959 2 216 . 1 . 1 57 57 GLU H H 1 8.204 0.007 . 1 . . . . . 57 GLU H . 51959 2 217 . 1 . 1 57 57 GLU C C 13 177.324 0.409 . 1 . . . . . 57 GLU C . 51959 2 218 . 1 . 1 57 57 GLU CA C 13 57.131 0.310 . 1 . . . . . 57 GLU CA . 51959 2 219 . 1 . 1 57 57 GLU N N 15 120.825 0.059 . 1 . . . . . 57 GLU N . 51959 2 220 . 1 . 1 58 58 GLN H H 1 8.431 0.005 . 1 . . . . . 58 GLN H . 51959 2 221 . 1 . 1 58 58 GLN C C 13 176.703 0.403 . 1 . . . . . 58 GLN C . 51959 2 222 . 1 . 1 58 58 GLN CA C 13 55.305 0.527 . 1 . . . . . 58 GLN CA . 51959 2 223 . 1 . 1 58 58 GLN N N 15 120.728 0.078 . 1 . . . . . 58 GLN N . 51959 2 224 . 1 . 1 59 59 GLY H H 1 8.377 0.046 . 1 . . . . . 59 GLY H . 51959 2 225 . 1 . 1 59 59 GLY C C 13 173.821 0.000 . 1 . . . . . 59 GLY C . 51959 2 226 . 1 . 1 59 59 GLY CA C 13 45.567 0.000 . 1 . . . . . 59 GLY CA . 51959 2 227 . 1 . 1 59 59 GLY N N 15 109.392 0.422 . 1 . . . . . 59 GLY N . 51959 2 228 . 1 . 1 60 60 VAL H H 1 7.891 0.007 . 1 . . . . . 60 VAL H . 51959 2 229 . 1 . 1 60 60 VAL C C 13 175.491 0.400 . 1 . . . . . 60 VAL C . 51959 2 230 . 1 . 1 60 60 VAL CA C 13 61.888 0.000 . 1 . . . . . 60 VAL CA . 51959 2 231 . 1 . 1 60 60 VAL N N 15 119.050 0.045 . 1 . . . . . 60 VAL N . 51959 2 232 . 1 . 1 61 61 GLU H H 1 8.450 0.005 . 1 . . . . . 61 GLU H . 51959 2 233 . 1 . 1 61 61 GLU C C 13 175.641 0.251 . 1 . . . . . 61 GLU C . 51959 2 234 . 1 . 1 61 61 GLU CA C 13 55.951 0.000 . 1 . . . . . 61 GLU CA . 51959 2 235 . 1 . 1 61 61 GLU N N 15 124.957 0.060 . 1 . . . . . 61 GLU N . 51959 2 236 . 1 . 1 62 62 LEU H H 1 8.276 0.002 . 1 . . . . . 62 LEU H . 51959 2 237 . 1 . 1 62 62 LEU C C 13 176.724 0.000 . 1 . . . . . 62 LEU C . 51959 2 238 . 1 . 1 62 62 LEU CA C 13 54.533 0.412 . 1 . . . . . 62 LEU CA . 51959 2 239 . 1 . 1 62 62 LEU N N 15 124.420 0.000 . 1 . . . . . 62 LEU N . 51959 2 240 . 1 . 1 63 63 ILE H H 1 8.121 0.010 . 1 . . . . . 63 ILE H . 51959 2 241 . 1 . 1 63 63 ILE C C 13 175.786 0.754 . 1 . . . . . 63 ILE C . 51959 2 242 . 1 . 1 63 63 ILE CA C 13 60.251 0.427 . 1 . . . . . 63 ILE CA . 51959 2 243 . 1 . 1 63 63 ILE N N 15 122.806 0.063 . 1 . . . . . 63 ILE N . 51959 2 244 . 1 . 1 64 64 SER H H 1 8.395 0.005 . 1 . . . . . 64 SER H . 51959 2 245 . 1 . 1 64 64 SER C C 13 174.842 1.020 . 1 . . . . . 64 SER C . 51959 2 246 . 1 . 1 64 64 SER CA C 13 57.077 0.074 . 1 . . . . . 64 SER CA . 51959 2 247 . 1 . 1 64 64 SER N N 15 120.369 0.053 . 1 . . . . . 64 SER N . 51959 2 248 . 1 . 1 65 65 GLU H H 1 8.512 0.007 . 1 . . . . . 65 GLU H . 51959 2 249 . 1 . 1 65 65 GLU C C 13 175.968 0.294 . 1 . . . . . 65 GLU C . 51959 2 250 . 1 . 1 65 65 GLU CA C 13 57.847 0.000 . 1 . . . . . 65 GLU CA . 51959 2 251 . 1 . 1 65 65 GLU N N 15 123.430 0.082 . 1 . . . . . 65 GLU N . 51959 2 252 . 1 . 1 66 66 ASN H H 1 8.400 0.000 . 1 . . . . . 66 ASN H . 51959 2 253 . 1 . 1 66 66 ASN C C 13 175.129 0.000 . 1 . . . . . 66 ASN C . 51959 2 254 . 1 . 1 66 66 ASN CA C 13 53.175 0.000 . 1 . . . . . 66 ASN CA . 51959 2 255 . 1 . 1 66 66 ASN N N 15 119.145 0.122 . 1 . . . . . 66 ASN N . 51959 2 256 . 1 . 1 67 67 GLU H H 1 8.258 0.000 . 1 . . . . . 67 GLU H . 51959 2 257 . 1 . 1 67 67 GLU C C 13 176.580 0.000 . 1 . . . . . 67 GLU C . 51959 2 258 . 1 . 1 67 67 GLU CA C 13 56.909 0.000 . 1 . . . . . 67 GLU CA . 51959 2 259 . 1 . 1 67 67 GLU N N 15 121.192 0.000 . 1 . . . . . 67 GLU N . 51959 2 260 . 1 . 1 68 68 GLU H H 1 8.368 0.000 . 1 . . . . . 68 GLU H . 51959 2 261 . 1 . 1 68 68 GLU C C 13 176.748 0.000 . 1 . . . . . 68 GLU C . 51959 2 262 . 1 . 1 68 68 GLU CA C 13 56.779 0.000 . 1 . . . . . 68 GLU CA . 51959 2 263 . 1 . 1 68 68 GLU N N 15 121.610 0.000 . 1 . . . . . 68 GLU N . 51959 2 264 . 1 . 1 69 69 THR H H 1 8.072 0.000 . 1 . . . . . 69 THR H . 51959 2 265 . 1 . 1 69 69 THR C C 13 174.654 0.000 . 1 . . . . . 69 THR C . 51959 2 266 . 1 . 1 69 69 THR CA C 13 61.918 0.000 . 1 . . . . . 69 THR CA . 51959 2 267 . 1 . 1 69 69 THR N N 15 114.690 0.000 . 1 . . . . . 69 THR N . 51959 2 268 . 1 . 1 70 70 GLU H H 1 8.381 0.000 . 1 . . . . . 70 GLU H . 51959 2 269 . 1 . 1 70 70 GLU C C 13 176.070 0.000 . 1 . . . . . 70 GLU C . 51959 2 270 . 1 . 1 70 70 GLU CA C 13 56.866 0.000 . 1 . . . . . 70 GLU CA . 51959 2 271 . 1 . 1 70 70 GLU N N 15 122.921 0.000 . 1 . . . . . 70 GLU N . 51959 2 272 . 1 . 1 71 71 ASP H H 1 8.331 0.000 . 1 . . . . . 71 ASP H . 51959 2 273 . 1 . 1 71 71 ASP C C 13 176.467 0.000 . 1 . . . . . 71 ASP C . 51959 2 274 . 1 . 1 71 71 ASP CA C 13 53.958 0.000 . 1 . . . . . 71 ASP CA . 51959 2 275 . 1 . 1 71 71 ASP N N 15 121.243 0.000 . 1 . . . . . 71 ASP N . 51959 2 276 . 1 . 1 72 72 LEU H H 1 8.167 0.000 . 1 . . . . . 72 LEU H . 51959 2 277 . 1 . 1 72 72 LEU C C 13 178.066 0.000 . 1 . . . . . 72 LEU C . 51959 2 278 . 1 . 1 72 72 LEU CA C 13 56.178 0.000 . 1 . . . . . 72 LEU CA . 51959 2 279 . 1 . 1 72 72 LEU N N 15 122.484 0.000 . 1 . . . . . 72 LEU N . 51959 2 280 . 1 . 1 73 73 GLU H H 1 8.226 0.000 . 1 . . . . . 73 GLU H . 51959 2 281 . 1 . 1 73 73 GLU CA C 13 57.029 0.000 . 1 . . . . . 73 GLU CA . 51959 2 282 . 1 . 1 73 73 GLU N N 15 118.596 0.000 . 1 . . . . . 73 GLU N . 51959 2 283 . 1 . 1 74 74 HIS H H 1 7.993 0.000 . 1 . . . . . 74 HIS H . 51959 2 284 . 1 . 1 74 74 HIS N N 15 117.038 0.000 . 1 . . . . . 74 HIS N . 51959 2 285 . 1 . 1 75 75 HIS H H 1 8.226 0.000 . 1 . . . . . 75 HIS H . 51959 2 286 . 1 . 1 75 75 HIS N N 15 118.596 0.000 . 1 . . . . . 75 HIS N . 51959 2 287 . 1 . 1 76 76 HIS H H 1 8.478 0.000 . 1 . . . . . 76 HIS H . 51959 2 288 . 1 . 1 76 76 HIS N N 15 119.515 0.000 . 1 . . . . . 76 HIS N . 51959 2 289 . 1 . 1 77 77 HIS H H 1 8.189 0.000 . 1 . . . . . 77 HIS H . 51959 2 290 . 1 . 1 77 77 HIS N N 15 125.326 0.000 . 1 . . . . . 77 HIS N . 51959 2 stop_ save_