################################### # 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_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 18544 _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 0.3 _Assigned_chem_shift_list.Chem_shift_15N_err 0.3 _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 '3D NCACX' . . . 18544 1 2 '3D NCOCX' . . . 18544 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 4 4 GLU CA C 13 55.400 0.30 . 1 . . . . 4 GLU CA . 18544 1 2 . 1 1 4 4 GLU CG C 13 36.800 0.30 . 1 . . . . 4 GLU CG . 18544 1 3 . 1 1 5 5 ASP N N 15 125.848 0.30 . 1 . . . . 5 ASP N . 18544 1 4 . 1 1 6 6 GLY C C 13 173.119 0.30 . 1 . . . . 6 GLY C . 18544 1 5 . 1 1 6 6 GLY CA C 13 44.770 0.30 . 1 . . . . 6 GLY CA . 18544 1 6 . 1 1 6 6 GLY N N 15 116.910 0.30 . 1 . . . . 6 GLY N . 18544 1 7 . 1 1 7 7 LYS CA C 13 57.384 0.30 . 1 . . . . 7 LYS CA . 18544 1 8 . 1 1 7 7 LYS CB C 13 32.099 0.30 . 1 . . . . 7 LYS CB . 18544 1 9 . 1 1 7 7 LYS CG C 13 25.144 0.30 . 1 . . . . 7 LYS CG . 18544 1 10 . 1 1 7 7 LYS N N 15 122.456 0.30 . 1 . . . . 7 LYS N . 18544 1 11 . 1 1 8 8 GLN C C 13 173.952 0.30 . 1 . . . . 8 GLN C . 18544 1 12 . 1 1 8 8 GLN CA C 13 59.315 0.30 . 1 . . . . 8 GLN CA . 18544 1 13 . 1 1 8 8 GLN CB C 13 26.993 0.30 . 1 . . . . 8 GLN CB . 18544 1 14 . 1 1 8 8 GLN CG C 13 33.620 0.30 . 1 . . . . 8 GLN CG . 18544 1 15 . 1 1 9 9 TYR C C 13 172.156 0.30 . 1 . . . . 9 TYR C . 18544 1 16 . 1 1 9 9 TYR CA C 13 54.800 0.30 . 1 . . . . 9 TYR CA . 18544 1 17 . 1 1 9 9 TYR N N 15 111.349 0.30 . 1 . . . . 9 TYR N . 18544 1 18 . 1 1 10 10 THR C C 13 174.517 0.30 . 1 . . . . 10 THR C . 18544 1 19 . 1 1 10 10 THR CA C 13 60.300 0.30 . 1 . . . . 10 THR CA . 18544 1 20 . 1 1 10 10 THR CB C 13 71.500 0.30 . 1 . . . . 10 THR CB . 18544 1 21 . 1 1 10 10 THR CG2 C 13 22.047 0.30 . 1 . . . . 10 THR CG2 . 18544 1 22 . 1 1 10 10 THR N N 15 111.374 0.30 . 1 . . . . 10 THR N . 18544 1 23 . 1 1 11 11 THR C C 13 175.401 0.30 . 1 . . . . 11 THR C . 18544 1 24 . 1 1 11 11 THR CA C 13 62.900 0.30 . 1 . . . . 11 THR CA . 18544 1 25 . 1 1 11 11 THR CB C 13 69.800 0.30 . 1 . . . . 11 THR CB . 18544 1 26 . 1 1 11 11 THR CG2 C 13 21.700 0.30 . 1 . . . . 11 THR CG2 . 18544 1 27 . 1 1 11 11 THR N N 15 120.544 0.30 . 1 . . . . 11 THR N . 18544 1 28 . 1 1 12 12 LEU CA C 13 56.100 0.30 . 1 . . . . 12 LEU CA . 18544 1 29 . 1 1 12 12 LEU CB C 13 41.538 0.30 . 1 . . . . 12 LEU CB . 18544 1 30 . 1 1 12 12 LEU CG C 13 28.644 0.30 . 1 . . . . 12 LEU CG . 18544 1 31 . 1 1 12 12 LEU CD1 C 13 24.311 0.30 . 2 . . . . 12 LEU CD1 . 18544 1 32 . 1 1 12 12 LEU CD2 C 13 23.548 0.30 . 2 . . . . 12 LEU CD2 . 18544 1 33 . 1 1 12 12 LEU N N 15 129.300 0.30 . 1 . . . . 12 LEU N . 18544 1 34 . 1 1 14 14 LYS N N 15 117.764 0.30 . 1 . . . . 14 LYS N . 18544 1 35 . 1 1 15 15 PRO CA C 13 62.478 0.30 . 1 . . . . 15 PRO CA . 18544 1 36 . 1 1 15 15 PRO CB C 13 32.620 0.30 . 1 . . . . 15 PRO CB . 18544 1 37 . 1 1 15 15 PRO CG C 13 27.385 0.30 . 1 . . . . 15 PRO CG . 18544 1 38 . 1 1 15 15 PRO CD C 13 50.787 0.30 . 1 . . . . 15 PRO CD . 18544 1 39 . 1 1 15 15 PRO N N 15 135.765 0.30 . 1 . . . . 15 PRO N . 18544 1 40 . 1 1 16 16 VAL C C 13 175.923 0.30 . 1 . . . . 16 VAL C . 18544 1 41 . 1 1 16 16 VAL CA C 13 61.330 0.30 . 1 . . . . 16 VAL CA . 18544 1 42 . 1 1 16 16 VAL CB C 13 32.858 0.30 . 1 . . . . 16 VAL CB . 18544 1 43 . 1 1 16 16 VAL CG1 C 13 21.698 0.30 . 2 . . . . 16 VAL CG1 . 18544 1 44 . 1 1 16 16 VAL CG2 C 13 21.698 0.30 . 2 . . . . 16 VAL CG2 . 18544 1 45 . 1 1 16 16 VAL N N 15 123.744 0.30 . 1 . . . . 16 VAL N . 18544 1 46 . 1 1 17 17 ALA C C 13 178.981 0.30 . 1 . . . . 17 ALA C . 18544 1 47 . 1 1 17 17 ALA CA C 13 52.255 0.30 . 1 . . . . 17 ALA CA . 18544 1 48 . 1 1 17 17 ALA CB C 13 19.200 0.30 . 1 . . . . 17 ALA CB . 18544 1 49 . 1 1 17 17 ALA N N 15 132.800 0.30 . 1 . . . . 17 ALA N . 18544 1 50 . 1 1 18 18 GLY CA C 13 45.487 0.30 . 1 . . . . 18 GLY CA . 18544 1 51 . 1 1 18 18 GLY N N 15 111.191 0.30 . 1 . . . . 18 GLY N . 18544 1 52 . 1 1 19 19 ALA C C 13 175.340 0.30 . 1 . . . . 19 ALA C . 18544 1 53 . 1 1 19 19 ALA CA C 13 50.400 0.30 . 1 . . . . 19 ALA CA . 18544 1 54 . 1 1 19 19 ALA CB C 13 17.297 0.30 . 1 . . . . 19 ALA CB . 18544 1 55 . 1 1 19 19 ALA N N 15 122.097 0.30 . 1 . . . . 19 ALA N . 18544 1 56 . 1 1 20 20 PRO CA C 13 62.598 0.30 . 1 . . . . 20 PRO CA . 18544 1 57 . 1 1 20 20 PRO CB C 13 31.807 0.30 . 1 . . . . 20 PRO CB . 18544 1 58 . 1 1 20 20 PRO CG C 13 27.923 0.30 . 1 . . . . 20 PRO CG . 18544 1 59 . 1 1 20 20 PRO CD C 13 50.282 0.30 . 1 . . . . 20 PRO CD . 18544 1 60 . 1 1 20 20 PRO N N 15 134.142 0.30 . 1 . . . . 20 PRO N . 18544 1 61 . 1 1 22 22 VAL C C 13 172.928 0.30 . 1 . . . . 22 VAL C . 18544 1 62 . 1 1 22 22 VAL CA C 13 62.701 0.30 . 1 . . . . 22 VAL CA . 18544 1 63 . 1 1 22 22 VAL CB C 13 34.082 0.30 . 1 . . . . 22 VAL CB . 18544 1 64 . 1 1 22 22 VAL CG1 C 13 23.146 0.30 . 2 . . . . 22 VAL CG1 . 18544 1 65 . 1 1 22 22 VAL CG2 C 13 21.393 0.30 . 2 . . . . 22 VAL CG2 . 18544 1 66 . 1 1 23 23 LEU C C 13 173.410 0.30 . 1 . . . . 23 LEU C . 18544 1 67 . 1 1 23 23 LEU CA C 13 52.497 0.30 . 1 . . . . 23 LEU CA . 18544 1 68 . 1 1 23 23 LEU CB C 13 46.123 0.30 . 1 . . . . 23 LEU CB . 18544 1 69 . 1 1 23 23 LEU CG C 13 26.780 0.30 . 1 . . . . 23 LEU CG . 18544 1 70 . 1 1 23 23 LEU CD1 C 13 22.479 0.30 . 1 . . . . 23 LEU CD . 18544 1 71 . 1 1 23 23 LEU CD2 C 13 22.479 0.30 . 1 . . . . 23 LEU CD . 18544 1 72 . 1 1 23 23 LEU N N 15 129.000 0.30 . 1 . . . . 23 LEU N . 18544 1 73 . 1 1 26 26 PHE C C 13 170.362 0.30 . 1 . . . . 26 PHE C . 18544 1 74 . 1 1 26 26 PHE CA C 13 55.351 0.30 . 1 . . . . 26 PHE CA . 18544 1 75 . 1 1 27 27 SER C C 13 177.849 0.30 . 1 . . . . 27 SER C . 18544 1 76 . 1 1 27 27 SER CA C 13 54.816 0.30 . 1 . . . . 27 SER CA . 18544 1 77 . 1 1 27 27 SER CB C 13 65.276 0.30 . 1 . . . . 27 SER CB . 18544 1 78 . 1 1 27 27 SER N N 15 107.820 0.30 . 1 . . . . 27 SER N . 18544 1 79 . 1 1 28 28 PHE N N 15 131.179 0.30 . 1 . . . . 28 PHE N . 18544 1 80 . 1 1 39 39 VAL CA C 13 64.002 0.30 . 1 . . . . 39 VAL CA . 18544 1 81 . 1 1 39 39 VAL CB C 13 32.551 0.30 . 1 . . . . 39 VAL CB . 18544 1 82 . 1 1 39 39 VAL CG1 C 13 21.059 0.30 . 2 . . . . 39 VAL CG1 . 18544 1 83 . 1 1 39 39 VAL N N 15 116.500 0.30 . 1 . . . . 39 VAL N . 18544 1 84 . 1 1 40 40 LEU CA C 13 55.364 0.30 . 1 . . . . 40 LEU CA . 18544 1 85 . 1 1 40 40 LEU CG C 13 27.221 0.30 . 1 . . . . 40 LEU CG . 18544 1 86 . 1 1 46 46 VAL CA C 13 66.993 0.30 . 1 . . . . 46 VAL CA . 18544 1 87 . 1 1 46 46 VAL CB C 13 32.082 0.30 . 1 . . . . 46 VAL CB . 18544 1 88 . 1 1 46 46 VAL CG1 C 13 24.121 0.30 . 2 . . . . 46 VAL CG1 . 18544 1 89 . 1 1 46 46 VAL CG2 C 13 22.435 0.30 . 2 . . . . 46 VAL CG2 . 18544 1 90 . 1 1 50 50 LEU CB C 13 41.200 0.30 . 1 . . . . 50 LEU CB . 18544 1 91 . 1 1 51 51 PRO CA C 13 64.938 0.30 . 1 . . . . 51 PRO CA . 18544 1 92 . 1 1 51 51 PRO CB C 13 31.970 0.30 . 1 . . . . 51 PRO CB . 18544 1 93 . 1 1 51 51 PRO CG C 13 28.083 0.30 . 1 . . . . 51 PRO CG . 18544 1 94 . 1 1 51 51 PRO CD C 13 52.565 0.30 . 1 . . . . 51 PRO CD . 18544 1 95 . 1 1 51 51 PRO N N 15 153.189 0.30 . 1 . . . . 51 PRO N . 18544 1 96 . 1 1 53 53 GLY N N 15 111.404 0.30 . 1 . . . . 53 GLY N . 18544 1 97 . 1 1 54 54 VAL CA C 13 62.501 0.30 . 1 . . . . 54 VAL CA . 18544 1 98 . 1 1 54 54 VAL CB C 13 31.670 0.30 . 1 . . . . 54 VAL CB . 18544 1 99 . 1 1 54 54 VAL CG1 C 13 22.465 0.30 . 2 . . . . 54 VAL CG1 . 18544 1 100 . 1 1 57 57 THR CA C 13 62.966 0.30 . 1 . . . . 57 THR CA . 18544 1 101 . 1 1 57 57 THR CB C 13 70.475 0.30 . 1 . . . . 57 THR CB . 18544 1 102 . 1 1 57 57 THR CG2 C 13 22.331 0.30 . 1 . . . . 57 THR CG2 . 18544 1 103 . 1 1 59 59 TYR CA C 13 52.062 0.30 . 1 . . . . 59 TYR CA . 18544 1 104 . 1 1 59 59 TYR CB C 13 40.812 0.30 . 1 . . . . 59 TYR CB . 18544 1 105 . 1 1 66 66 GLY C C 13 177.086 0.30 . 1 . . . . 66 GLY C . 18544 1 106 . 1 1 66 66 GLY CA C 13 45.537 0.30 . 1 . . . . 66 GLY CA . 18544 1 107 . 1 1 67 67 ASP N N 15 129.097 0.30 . 1 . . . . 67 ASP N . 18544 1 108 . 1 1 68 68 LEU C C 13 179.175 0.30 . 1 . . . . 68 LEU C . 18544 1 109 . 1 1 68 68 LEU CA C 13 57.121 0.30 . 1 . . . . 68 LEU CA . 18544 1 110 . 1 1 69 69 GLY CA C 13 47.963 0.30 . 1 . . . . 69 GLY CA . 18544 1 111 . 1 1 69 69 GLY N N 15 106.917 0.30 . 1 . . . . 69 GLY N . 18544 1 112 . 1 1 72 72 LEU CA C 13 57.957 0.30 . 1 . . . . 72 LEU CA . 18544 1 113 . 1 1 72 72 LEU CG C 13 28.388 0.30 . 1 . . . . 72 LEU CG . 18544 1 114 . 1 1 73 73 THR C C 13 176.764 0.30 . 1 . . . . 73 THR C . 18544 1 115 . 1 1 73 73 THR CA C 13 66.744 0.30 . 1 . . . . 73 THR CA . 18544 1 116 . 1 1 73 73 THR CB C 13 68.496 0.30 . 1 . . . . 73 THR CB . 18544 1 117 . 1 1 74 74 GLN CA C 13 59.734 0.30 . 1 . . . . 74 GLN CA . 18544 1 118 . 1 1 74 74 GLN CB C 13 25.946 0.30 . 1 . . . . 74 GLN CB . 18544 1 119 . 1 1 74 74 GLN N N 15 125.801 0.30 . 1 . . . . 74 GLN N . 18544 1 120 . 1 1 75 75 ALA CA C 13 54.726 0.30 . 1 . . . . 75 ALA CA . 18544 1 121 . 1 1 75 75 ALA CB C 13 20.161 0.30 . 1 . . . . 75 ALA CB . 18544 1 122 . 1 1 75 75 ALA N N 15 123.401 0.30 . 1 . . . . 75 ALA N . 18544 1 123 . 1 1 77 77 ALA CA C 13 55.200 0.30 . 1 . . . . 77 ALA CA . 18544 1 124 . 1 1 77 77 ALA CB C 13 20.378 0.30 . 1 . . . . 77 ALA CB . 18544 1 125 . 1 1 77 77 ALA N N 15 120.096 0.30 . 1 . . . . 77 ALA N . 18544 1 126 . 1 1 78 78 VAL C C 13 177.000 0.30 . 1 . . . . 78 VAL C . 18544 1 127 . 1 1 78 78 VAL CA C 13 66.900 0.30 . 1 . . . . 78 VAL CA . 18544 1 128 . 1 1 78 78 VAL CB C 13 30.293 0.30 . 1 . . . . 78 VAL CB . 18544 1 129 . 1 1 78 78 VAL CG1 C 13 23.624 0.30 . 2 . . . . 78 VAL CG1 . 18544 1 130 . 1 1 78 78 VAL CG2 C 13 22.267 0.30 . 2 . . . . 78 VAL CG2 . 18544 1 131 . 1 1 78 78 VAL N N 15 119.679 0.30 . 1 . . . . 78 VAL N . 18544 1 132 . 1 1 79 79 ALA C C 13 179.796 0.30 . 1 . . . . 79 ALA C . 18544 1 133 . 1 1 79 79 ALA CA C 13 54.726 0.30 . 1 . . . . 79 ALA CA . 18544 1 134 . 1 1 79 79 ALA N N 15 120.811 0.30 . 1 . . . . 79 ALA N . 18544 1 135 . 1 1 80 80 MET C C 13 179.401 0.30 . 1 . . . . 80 MET C . 18544 1 136 . 1 1 80 80 MET CA C 13 58.153 0.30 . 1 . . . . 80 MET CA . 18544 1 137 . 1 1 80 80 MET CB C 13 34.573 0.30 . 1 . . . . 80 MET CB . 18544 1 138 . 1 1 80 80 MET CG C 13 31.003 0.30 . 1 . . . . 80 MET CG . 18544 1 139 . 1 1 80 80 MET N N 15 115.652 0.30 . 1 . . . . 80 MET N . 18544 1 140 . 1 1 81 81 ALA C C 13 180.222 0.30 . 1 . . . . 81 ALA C . 18544 1 141 . 1 1 81 81 ALA CA C 13 54.577 0.30 . 1 . . . . 81 ALA CA . 18544 1 142 . 1 1 81 81 ALA N N 15 123.461 0.30 . 1 . . . . 81 ALA N . 18544 1 143 . 1 1 82 82 LEU C C 13 177.575 0.30 . 1 . . . . 82 LEU C . 18544 1 144 . 1 1 82 82 LEU CA C 13 54.404 0.30 . 1 . . . . 82 LEU CA . 18544 1 145 . 1 1 82 82 LEU CB C 13 42.984 0.30 . 1 . . . . 82 LEU CB . 18544 1 146 . 1 1 82 82 LEU CG C 13 26.964 0.30 . 1 . . . . 82 LEU CG . 18544 1 147 . 1 1 82 82 LEU CD1 C 13 22.100 0.30 . 1 . . . . 82 LEU CD . 18544 1 148 . 1 1 82 82 LEU CD2 C 13 22.100 0.30 . 1 . . . . 82 LEU CD . 18544 1 149 . 1 1 82 82 LEU N N 15 113.178 0.30 . 1 . . . . 82 LEU N . 18544 1 150 . 1 1 83 83 GLY C C 13 176.909 0.30 . 1 . . . . 83 GLY C . 18544 1 151 . 1 1 83 83 GLY CA C 13 47.083 0.30 . 1 . . . . 83 GLY CA . 18544 1 152 . 1 1 83 83 GLY N N 15 111.275 0.30 . 1 . . . . 83 GLY N . 18544 1 153 . 1 1 84 84 VAL C C 13 176.749 0.30 . 1 . . . . 84 VAL C . 18544 1 154 . 1 1 84 84 VAL CA C 13 59.102 0.30 . 1 . . . . 84 VAL CA . 18544 1 155 . 1 1 84 84 VAL CB C 13 31.582 0.30 . 1 . . . . 84 VAL CB . 18544 1 156 . 1 1 84 84 VAL CG1 C 13 20.582 0.30 . 2 . . . . 84 VAL CG1 . 18544 1 157 . 1 1 84 84 VAL CG2 C 13 19.290 0.30 . 2 . . . . 84 VAL CG2 . 18544 1 158 . 1 1 84 84 VAL N N 15 108.375 0.30 . 1 . . . . 84 VAL N . 18544 1 159 . 1 1 85 85 GLU C C 13 179.245 0.30 . 1 . . . . 85 GLU C . 18544 1 160 . 1 1 85 85 GLU CA C 13 61.539 0.30 . 1 . . . . 85 GLU CA . 18544 1 161 . 1 1 85 85 GLU CB C 13 29.403 0.30 . 1 . . . . 85 GLU CB . 18544 1 162 . 1 1 85 85 GLU CG C 13 36.312 0.30 . 1 . . . . 85 GLU CG . 18544 1 163 . 1 1 85 85 GLU N N 15 126.854 0.30 . 1 . . . . 85 GLU N . 18544 1 164 . 1 1 86 86 ASP C C 13 177.583 0.30 . 1 . . . . 86 ASP C . 18544 1 165 . 1 1 86 86 ASP CA C 13 55.753 0.30 . 1 . . . . 86 ASP CA . 18544 1 166 . 1 1 87 87 LYS C C 13 178.039 0.30 . 1 . . . . 87 LYS C . 18544 1 167 . 1 1 87 87 LYS CA C 13 57.366 0.30 . 1 . . . . 87 LYS CA . 18544 1 168 . 1 1 87 87 LYS CB C 13 34.395 0.30 . 1 . . . . 87 LYS CB . 18544 1 169 . 1 1 87 87 LYS CG C 13 25.718 0.30 . 1 . . . . 87 LYS CG . 18544 1 170 . 1 1 87 87 LYS CD C 13 29.490 0.30 . 1 . . . . 87 LYS CD . 18544 1 171 . 1 1 88 88 VAL C C 13 175.866 0.30 . 1 . . . . 88 VAL C . 18544 1 172 . 1 1 88 88 VAL CA C 13 60.535 0.30 . 1 . . . . 88 VAL CA . 18544 1 173 . 1 1 88 88 VAL CB C 13 32.992 0.30 . 1 . . . . 88 VAL CB . 18544 1 174 . 1 1 88 88 VAL CG1 C 13 19.473 0.30 . 2 . . . . 88 VAL CG1 . 18544 1 175 . 1 1 88 88 VAL CG2 C 13 17.644 0.30 . 2 . . . . 88 VAL CG2 . 18544 1 176 . 1 1 88 88 VAL N N 15 103.481 0.30 . 1 . . . . 88 VAL N . 18544 1 177 . 1 1 89 89 THR CA C 13 69.137 0.30 . 1 . . . . 89 THR CA . 18544 1 178 . 1 1 89 89 THR CG2 C 13 21.426 0.30 . 1 . . . . 89 THR CG2 . 18544 1 179 . 1 1 90 90 VAL C C 13 176.028 0.30 . 1 . . . . 90 VAL C . 18544 1 180 . 1 1 90 90 VAL CA C 13 69.447 0.30 . 1 . . . . 90 VAL CA . 18544 1 181 . 1 1 90 90 VAL CB C 13 28.876 0.30 . 1 . . . . 90 VAL CB . 18544 1 182 . 1 1 90 90 VAL CG1 C 13 24.694 0.30 . 2 . . . . 90 VAL CG1 . 18544 1 183 . 1 1 90 90 VAL CG2 C 13 21.638 0.30 . 2 . . . . 90 VAL CG2 . 18544 1 184 . 1 1 91 91 PRO N N 15 134.083 0.30 . 1 . . . . 91 PRO N . 18544 1 185 . 1 1 92 92 LEU CA C 13 58.013 0.30 . 1 . . . . 92 LEU CA . 18544 1 186 . 1 1 92 92 LEU CB C 13 40.307 0.30 . 1 . . . . 92 LEU CB . 18544 1 187 . 1 1 92 92 LEU CG C 13 27.137 0.30 . 1 . . . . 92 LEU CG . 18544 1 188 . 1 1 92 92 LEU CD1 C 13 23.125 0.30 . 1 . . . . 92 LEU CD . 18544 1 189 . 1 1 92 92 LEU CD2 C 13 23.125 0.30 . 1 . . . . 92 LEU CD . 18544 1 190 . 1 1 94 94 GLU C C 13 180.235 0.30 . 1 . . . . 94 GLU C . 18544 1 191 . 1 1 94 94 GLU CA C 13 59.378 0.30 . 1 . . . . 94 GLU CA . 18544 1 192 . 1 1 95 95 GLY C C 13 175.565 0.30 . 1 . . . . 95 GLY C . 18544 1 193 . 1 1 95 95 GLY CA C 13 46.033 0.30 . 1 . . . . 95 GLY CA . 18544 1 194 . 1 1 95 95 GLY N N 15 107.790 0.30 . 1 . . . . 95 GLY N . 18544 1 195 . 1 1 96 96 VAL CA C 13 66.476 0.30 . 1 . . . . 96 VAL CA . 18544 1 196 . 1 1 96 96 VAL CB C 13 32.243 0.30 . 1 . . . . 96 VAL CB . 18544 1 197 . 1 1 96 96 VAL CG1 C 13 23.389 0.30 . 2 . . . . 96 VAL CG1 . 18544 1 198 . 1 1 99 99 THR CA C 13 62.078 0.30 . 1 . . . . 99 THR CA . 18544 1 199 . 1 1 99 99 THR CB C 13 68.727 0.30 . 1 . . . . 99 THR CB . 18544 1 200 . 1 1 99 99 THR CG2 C 13 22.368 0.30 . 1 . . . . 99 THR CG2 . 18544 1 201 . 1 1 100 100 GLN C C 13 175.004 0.30 . 1 . . . . 100 GLN C . 18544 1 202 . 1 1 100 100 GLN CA C 13 57.357 0.30 . 1 . . . . 100 GLN CA . 18544 1 203 . 1 1 100 100 GLN CB C 13 25.724 0.30 . 1 . . . . 100 GLN CB . 18544 1 204 . 1 1 100 100 GLN CG C 13 34.618 0.30 . 1 . . . . 100 GLN CG . 18544 1 205 . 1 1 101 101 THR C C 13 175.391 0.30 . 1 . . . . 101 THR C . 18544 1 206 . 1 1 101 101 THR CA C 13 60.592 0.30 . 1 . . . . 101 THR CA . 18544 1 207 . 1 1 101 101 THR CB C 13 68.865 0.30 . 1 . . . . 101 THR CB . 18544 1 208 . 1 1 101 101 THR CG2 C 13 22.960 0.30 . 1 . . . . 101 THR CG2 . 18544 1 209 . 1 1 101 101 THR N N 15 105.649 0.30 . 1 . . . . 101 THR N . 18544 1 210 . 1 1 102 102 ILE CA C 13 60.773 0.30 . 1 . . . . 102 ILE CA . 18544 1 211 . 1 1 102 102 ILE CB C 13 36.956 0.30 . 1 . . . . 102 ILE CB . 18544 1 212 . 1 1 102 102 ILE CG1 C 13 27.278 0.30 . 1 . . . . 102 ILE CG1 . 18544 1 213 . 1 1 102 102 ILE CG2 C 13 17.457 0.30 . 1 . . . . 102 ILE CG2 . 18544 1 214 . 1 1 102 102 ILE CD1 C 13 14.866 0.30 . 1 . . . . 102 ILE CD1 . 18544 1 215 . 1 1 103 103 ARG CA C 13 55.029 0.30 . 1 . . . . 103 ARG CA . 18544 1 216 . 1 1 103 103 ARG N N 15 125.129 0.30 . 1 . . . . 103 ARG N . 18544 1 217 . 1 1 104 104 SER CA C 13 56.499 0.30 . 1 . . . . 104 SER CA . 18544 1 218 . 1 1 104 104 SER CB C 13 67.404 0.30 . 1 . . . . 104 SER CB . 18544 1 219 . 1 1 104 104 SER N N 15 114.972 0.30 . 1 . . . . 104 SER N . 18544 1 220 . 1 1 105 105 ALA C C 13 181.000 0.30 . 1 . . . . 105 ALA C . 18544 1 221 . 1 1 105 105 ALA CA C 13 54.976 0.30 . 1 . . . . 105 ALA CA . 18544 1 222 . 1 1 105 105 ALA CB C 13 17.100 0.30 . 1 . . . . 105 ALA CB . 18544 1 223 . 1 1 105 105 ALA N N 15 123.500 0.30 . 1 . . . . 105 ALA N . 18544 1 224 . 1 1 106 106 SER CA C 13 61.336 0.30 . 1 . . . . 106 SER CA . 18544 1 225 . 1 1 106 106 SER CB C 13 62.542 0.30 . 1 . . . . 106 SER CB . 18544 1 226 . 1 1 106 106 SER N N 15 116.024 0.30 . 1 . . . . 106 SER N . 18544 1 227 . 1 1 107 107 ASP C C 13 178.883 0.30 . 1 . . . . 107 ASP C . 18544 1 228 . 1 1 108 108 ILE CA C 13 65.614 0.30 . 1 . . . . 108 ILE CA . 18544 1 229 . 1 1 108 108 ILE CB C 13 38.333 0.30 . 1 . . . . 108 ILE CB . 18544 1 230 . 1 1 108 108 ILE CG1 C 13 28.856 0.30 . 1 . . . . 108 ILE CG1 . 18544 1 231 . 1 1 108 108 ILE CG2 C 13 18.532 0.30 . 1 . . . . 108 ILE CG2 . 18544 1 232 . 1 1 108 108 ILE CD1 C 13 15.618 0.30 . 1 . . . . 108 ILE CD1 . 18544 1 233 . 1 1 108 108 ILE N N 15 120.080 0.30 . 1 . . . . 108 ILE N . 18544 1 234 . 1 1 111 111 VAL CA C 13 66.402 0.30 . 1 . . . . 111 VAL CA . 18544 1 235 . 1 1 111 111 VAL CB C 13 30.739 0.30 . 1 . . . . 111 VAL CB . 18544 1 236 . 1 1 111 111 VAL CG1 C 13 23.631 0.30 . 2 . . . . 111 VAL CG1 . 18544 1 237 . 1 1 111 111 VAL CG2 C 13 21.740 0.30 . 2 . . . . 111 VAL CG2 . 18544 1 238 . 1 1 113 113 ILE C C 13 182.362 0.30 . 1 . . . . 113 ILE C . 18544 1 239 . 1 1 113 113 ILE CA C 13 63.762 0.30 . 1 . . . . 113 ILE CA . 18544 1 240 . 1 1 113 113 ILE CB C 13 37.970 0.30 . 1 . . . . 113 ILE CB . 18544 1 241 . 1 1 113 113 ILE CG1 C 13 28.281 0.30 . 1 . . . . 113 ILE CG1 . 18544 1 242 . 1 1 113 113 ILE CG2 C 13 17.371 0.30 . 1 . . . . 113 ILE CG2 . 18544 1 243 . 1 1 113 113 ILE CD1 C 13 13.802 0.30 . 1 . . . . 113 ILE CD1 . 18544 1 244 . 1 1 114 114 ASN CA C 13 55.695 0.30 . 1 . . . . 114 ASN CA . 18544 1 245 . 1 1 114 114 ASN CB C 13 37.871 0.30 . 1 . . . . 114 ASN CB . 18544 1 246 . 1 1 114 114 ASN N N 15 121.071 0.30 . 1 . . . . 114 ASN N . 18544 1 247 . 1 1 115 115 ALA C C 13 176.912 0.30 . 1 . . . . 115 ALA C . 18544 1 248 . 1 1 115 115 ALA CA C 13 51.607 0.30 . 1 . . . . 115 ALA CA . 18544 1 249 . 1 1 115 115 ALA CB C 13 19.099 0.30 . 1 . . . . 115 ALA CB . 18544 1 250 . 1 1 115 115 ALA N N 15 120.639 0.30 . 1 . . . . 115 ALA N . 18544 1 251 . 1 1 116 116 GLY C C 13 173.782 0.30 . 1 . . . . 116 GLY C . 18544 1 252 . 1 1 116 116 GLY CA C 13 44.896 0.30 . 1 . . . . 116 GLY CA . 18544 1 253 . 1 1 116 116 GLY N N 15 105.361 0.30 . 1 . . . . 116 GLY N . 18544 1 254 . 1 1 117 117 ILE CA C 13 60.988 0.30 . 1 . . . . 117 ILE CA . 18544 1 255 . 1 1 117 117 ILE CB C 13 37.546 0.30 . 1 . . . . 117 ILE CB . 18544 1 256 . 1 1 117 117 ILE CG1 C 13 25.886 0.30 . 1 . . . . 117 ILE CG1 . 18544 1 257 . 1 1 117 117 ILE CG2 C 13 20.655 0.30 . 1 . . . . 117 ILE CG2 . 18544 1 258 . 1 1 117 117 ILE N N 15 125.476 0.30 . 1 . . . . 117 ILE N . 18544 1 259 . 1 1 118 118 LYS C C 13 179.413 0.30 . 1 . . . . 118 LYS C . 18544 1 260 . 1 1 119 119 GLY N N 15 113.971 0.30 . 1 . . . . 119 GLY N . 18544 1 261 . 1 1 126 126 TRP CA C 13 61.507 0.30 . 1 . . . . 126 TRP CA . 18544 1 262 . 1 1 126 126 TRP CB C 13 28.525 0.30 . 1 . . . . 126 TRP CB . 18544 1 263 . 1 1 128 128 SER CA C 13 58.714 0.30 . 1 . . . . 128 SER CA . 18544 1 264 . 1 1 128 128 SER CB C 13 65.790 0.30 . 1 . . . . 128 SER CB . 18544 1 265 . 1 1 128 128 SER N N 15 116.192 0.30 . 1 . . . . 128 SER N . 18544 1 266 . 1 1 130 130 VAL CA C 13 67.300 0.30 . 1 . . . . 130 VAL CA . 18544 1 267 . 1 1 130 130 VAL CB C 13 30.374 0.30 . 1 . . . . 130 VAL CB . 18544 1 268 . 1 1 131 131 VAL CA C 13 67.185 0.30 . 1 . . . . 131 VAL CA . 18544 1 269 . 1 1 131 131 VAL CB C 13 31.455 0.30 . 1 . . . . 131 VAL CB . 18544 1 270 . 1 1 134 134 LEU CB C 13 44.075 0.30 . 1 . . . . 134 LEU CB . 18544 1 271 . 1 1 134 134 LEU CG C 13 27.321 0.30 . 1 . . . . 134 LEU CG . 18544 1 272 . 1 1 135 135 VAL CA C 13 68.701 0.30 . 1 . . . . 135 VAL CA . 18544 1 273 . 1 1 135 135 VAL CB C 13 31.453 0.30 . 1 . . . . 135 VAL CB . 18544 1 274 . 1 1 135 135 VAL CG1 C 13 23.885 0.30 . 2 . . . . 135 VAL CG1 . 18544 1 275 . 1 1 135 135 VAL CG2 C 13 21.404 0.30 . 2 . . . . 135 VAL CG2 . 18544 1 276 . 1 1 135 135 VAL N N 15 123.026 0.30 . 1 . . . . 135 VAL N . 18544 1 277 . 1 1 136 136 ALA N N 15 121.026 0.30 . 1 . . . . 136 ALA N . 18544 1 278 . 1 1 141 141 ALA C C 13 179.649 0.30 . 1 . . . . 141 ALA C . 18544 1 279 . 1 1 141 141 ALA CA C 13 55.149 0.30 . 1 . . . . 141 ALA CA . 18544 1 280 . 1 1 142 142 ALA CA C 13 53.949 0.30 . 1 . . . . 142 ALA CA . 18544 1 281 . 1 1 142 142 ALA N N 15 116.928 0.30 . 1 . . . . 142 ALA N . 18544 1 282 . 1 1 143 143 ALA CA C 13 54.391 0.30 . 1 . . . . 143 ALA CA . 18544 1 283 . 1 1 144 144 ASP C C 13 178.504 0.30 . 1 . . . . 144 ASP C . 18544 1 284 . 1 1 145 145 VAL CA C 13 60.384 0.30 . 1 . . . . 145 VAL CA . 18544 1 285 . 1 1 145 145 VAL CB C 13 31.107 0.30 . 1 . . . . 145 VAL CB . 18544 1 286 . 1 1 145 145 VAL CG1 C 13 20.126 0.30 . 2 . . . . 145 VAL CG1 . 18544 1 287 . 1 1 145 145 VAL CG2 C 13 19.018 0.30 . 2 . . . . 145 VAL CG2 . 18544 1 288 . 1 1 145 145 VAL N N 15 108.467 0.30 . 1 . . . . 145 VAL N . 18544 1 289 . 1 1 146 146 GLN CA C 13 55.921 0.30 . 1 . . . . 146 GLN CA . 18544 1 290 . 1 1 146 146 GLN CB C 13 26.233 0.30 . 1 . . . . 146 GLN CB . 18544 1 291 . 1 1 150 150 VAL CA C 13 58.211 0.30 . 1 . . . . 150 VAL CA . 18544 1 292 . 1 1 150 150 VAL CG1 C 13 26.026 0.30 . 2 . . . . 150 VAL CG1 . 18544 1 293 . 1 1 155 155 VAL CA C 13 60.944 0.30 . 1 . . . . 155 VAL CA . 18544 1 294 . 1 1 155 155 VAL CB C 13 34.790 0.30 . 1 . . . . 155 VAL CB . 18544 1 295 . 1 1 155 155 VAL CG1 C 13 22.864 0.30 . 2 . . . . 155 VAL CG1 . 18544 1 296 . 1 1 155 155 VAL CG2 C 13 20.493 0.30 . 2 . . . . 155 VAL CG2 . 18544 1 297 . 1 1 156 156 ASN C C 13 174.078 0.30 . 1 . . . . 156 ASN C . 18544 1 298 . 1 1 156 156 ASN CA C 13 54.605 0.30 . 1 . . . . 156 ASN CA . 18544 1 299 . 1 1 156 156 ASN CB C 13 37.382 0.30 . 1 . . . . 156 ASN CB . 18544 1 300 . 1 1 157 157 GLY C C 13 172.357 0.30 . 1 . . . . 157 GLY C . 18544 1 301 . 1 1 157 157 GLY CA C 13 45.960 0.30 . 1 . . . . 157 GLY CA . 18544 1 302 . 1 1 157 157 GLY N N 15 105.310 0.30 . 1 . . . . 157 GLY N . 18544 1 303 . 1 1 158 158 LYS N N 15 114.286 0.30 . 1 . . . . 158 LYS N . 18544 1 304 . 1 1 160 160 GLN C C 13 175.725 0.30 . 1 . . . . 160 GLN C . 18544 1 305 . 1 1 160 160 GLN CA C 13 53.355 0.30 . 1 . . . . 160 GLN CA . 18544 1 306 . 1 1 163 163 PRO CA C 13 64.860 0.30 . 1 . . . . 163 PRO CA . 18544 1 307 . 1 1 163 163 PRO CB C 13 32.407 0.30 . 1 . . . . 163 PRO CB . 18544 1 308 . 1 1 163 163 PRO CG C 13 27.992 0.30 . 1 . . . . 163 PRO CG . 18544 1 309 . 1 1 163 163 PRO CD C 13 50.954 0.30 . 1 . . . . 163 PRO CD . 18544 1 310 . 1 1 169 169 SER CA C 13 61.006 0.30 . 1 . . . . 169 SER CA . 18544 1 311 . 1 1 169 169 SER CB C 13 63.351 0.30 . 1 . . . . 169 SER CB . 18544 1 312 . 1 1 173 173 VAL CA C 13 65.799 0.30 . 1 . . . . 173 VAL CA . 18544 1 313 . 1 1 173 173 VAL CB C 13 32.254 0.30 . 1 . . . . 173 VAL CB . 18544 1 314 . 1 1 175 175 VAL CA C 13 66.812 0.30 . 1 . . . . 175 VAL CA . 18544 1 315 . 1 1 175 175 VAL CB C 13 31.600 0.30 . 1 . . . . 175 VAL CB . 18544 1 316 . 1 1 175 175 VAL CG1 C 13 21.371 0.30 . 2 . . . . 175 VAL CG1 . 18544 1 317 . 1 1 175 175 VAL N N 15 116.900 0.30 . 1 . . . . 175 VAL N . 18544 1 318 . 1 1 182 182 VAL CA C 13 67.775 0.30 . 1 . . . . 182 VAL CA . 18544 1 319 . 1 1 182 182 VAL CB C 13 30.882 0.30 . 1 . . . . 182 VAL CB . 18544 1 320 . 1 1 182 182 VAL CG1 C 13 24.195 0.30 . 2 . . . . 182 VAL CG1 . 18544 1 321 . 1 1 185 185 LEU CA C 13 56.749 0.30 . 1 . . . . 185 LEU CA . 18544 1 322 . 1 1 185 185 LEU CB C 13 42.215 0.30 . 1 . . . . 185 LEU CB . 18544 1 323 . 1 1 185 185 LEU CG C 13 25.753 0.30 . 1 . . . . 185 LEU CG . 18544 1 stop_ save_