################################### # 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 25618 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 25618 1 2 '3D HNCACB' . . . 25618 1 3 '3D HN(CO)CACB' . . . 25618 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 8 8 LYS CA C 13 54.910 . . 1 . . . . 8 K CA . 25618 1 2 . 1 1 8 8 LYS CB C 13 32.510 . . 1 . . . . 8 K CB . 25618 1 3 . 1 1 9 9 ALA H H 1 8.115 . . 1 . . . . 9 A HN . 25618 1 4 . 1 1 9 9 ALA CA C 13 53.680 . . 1 . . . . 9 A CA . 25618 1 5 . 1 1 9 9 ALA CB C 13 19.890 . . 1 . . . . 9 A CB . 25618 1 6 . 1 1 9 9 ALA N N 15 124.500 . . 1 . . . . 9 A N . 25618 1 7 . 1 1 10 10 LEU H H 1 7.402 . . 1 . . . . 10 L HN . 25618 1 8 . 1 1 10 10 LEU CA C 13 53.580 . . 1 . . . . 10 L CA . 25618 1 9 . 1 1 10 10 LEU CB C 13 44.990 . . 1 . . . . 10 L CB . 25618 1 10 . 1 1 10 10 LEU N N 15 117.000 . . 1 . . . . 10 L N . 25618 1 11 . 1 1 11 11 SER H H 1 8.478 . . 1 . . . . 11 S HN . 25618 1 12 . 1 1 11 11 SER CA C 13 57.550 . . 1 . . . . 11 S CA . 25618 1 13 . 1 1 11 11 SER CB C 13 64.620 . . 1 . . . . 11 S CB . 25618 1 14 . 1 1 11 11 SER N N 15 120.200 . . 1 . . . . 11 S N . 25618 1 15 . 1 1 12 12 LEU H H 1 8.808 . . 1 . . . . 12 L HN . 25618 1 16 . 1 1 12 12 LEU CA C 13 53.160 . . 1 . . . . 12 L CA . 25618 1 17 . 1 1 12 12 LEU CB C 13 46.340 . . 1 . . . . 12 L CB . 25618 1 18 . 1 1 12 12 LEU N N 15 126.800 . . 1 . . . . 12 L N . 25618 1 19 . 1 1 13 13 LEU H H 1 9.323 . . 1 . . . . 13 L HN . 25618 1 20 . 1 1 13 13 LEU CA C 13 53.210 . . 1 . . . . 13 L CA . 25618 1 21 . 1 1 13 13 LEU CB C 13 45.970 . . 1 . . . . 13 L CB . 25618 1 22 . 1 1 13 13 LEU N N 15 124.500 . . 1 . . . . 13 L N . 25618 1 23 . 1 1 14 14 LEU H H 1 9.010 . . 1 . . . . 14 L HN . 25618 1 24 . 1 1 14 14 LEU CA C 13 53.050 . . 1 . . . . 14 L CA . 25618 1 25 . 1 1 14 14 LEU CB C 13 44.690 . . 1 . . . . 14 L CB . 25618 1 26 . 1 1 14 14 LEU N N 15 125.200 . . 1 . . . . 14 L N . 25618 1 27 . 1 1 15 15 PHE H H 1 9.686 . . 1 . . . . 15 F HN . 25618 1 28 . 1 1 15 15 PHE CA C 13 56.970 . . 1 . . . . 15 F CA . 25618 1 29 . 1 1 15 15 PHE CB C 13 40.910 . . 1 . . . . 15 F CB . 25618 1 30 . 1 1 15 15 PHE N N 15 127.900 . . 1 . . . . 15 F N . 25618 1 31 . 1 1 16 16 VAL H H 1 7.956 . . 1 . . . . 16 V HN . 25618 1 32 . 1 1 16 16 VAL CA C 13 58.840 . . 1 . . . . 16 V CA . 25618 1 33 . 1 1 16 16 VAL CB C 13 35.650 . . 1 . . . . 16 V CB . 25618 1 34 . 1 1 16 16 VAL N N 15 113.900 . . 1 . . . . 16 V N . 25618 1 35 . 1 1 17 17 ALA H H 1 9.196 . . 1 . . . . 17 A HN . 25618 1 36 . 1 1 17 17 ALA CA C 13 51.880 . . 1 . . . . 17 A CA . 25618 1 37 . 1 1 17 17 ALA CB C 13 19.550 . . 1 . . . . 17 A CB . 25618 1 38 . 1 1 17 17 ALA N N 15 125.800 . . 1 . . . . 17 A N . 25618 1 39 . 1 1 18 18 ASN H H 1 8.289 . . 1 . . . . 18 N HN . 25618 1 40 . 1 1 18 18 ASN CA C 13 52.890 . . 1 . . . . 18 N CA . 25618 1 41 . 1 1 18 18 ASN CB C 13 38.590 . . 1 . . . . 18 N CB . 25618 1 42 . 1 1 18 18 ASN N N 15 117.100 . . 1 . . . . 18 N N . 25618 1 43 . 1 1 19 19 ARG H H 1 8.537 . . 1 . . . . 19 R HN . 25618 1 44 . 1 1 19 19 ARG CA C 13 54.450 . . 1 . . . . 19 R CA . 25618 1 45 . 1 1 19 19 ARG CB C 13 29.100 . . 1 . . . . 19 R CB . 25618 1 46 . 1 1 19 19 ARG N N 15 121.800 . . 1 . . . . 19 R N . 25618 1 47 . 1 1 20 20 PRO CA C 13 64.890 . . 1 . . . . 20 P CA . 25618 1 48 . 1 1 20 20 PRO CB C 13 31.430 . . 1 . . . . 20 P CB . 25618 1 49 . 1 1 21 21 GLY H H 1 9.086 . . 1 . . . . 21 G HN . 25618 1 50 . 1 1 21 21 GLY CA C 13 45.730 . . 1 . . . . 21 G CA . 25618 1 51 . 1 1 21 21 GLY N N 15 113.200 . . 1 . . . . 21 G N . 25618 1 52 . 1 1 22 22 ASP H H 1 8.253 . . 1 . . . . 22 D HN . 25618 1 53 . 1 1 22 22 ASP CA C 13 56.030 . . 1 . . . . 22 D CA . 25618 1 54 . 1 1 22 22 ASP CB C 13 41.070 . . 1 . . . . 22 D CB . 25618 1 55 . 1 1 22 22 ASP N N 15 121.600 . . 1 . . . . 22 D N . 25618 1 56 . 1 1 23 23 GLU H H 1 8.902 . . 1 . . . . 23 E HN . 25618 1 57 . 1 1 23 23 GLU CA C 13 60.130 . . 1 . . . . 23 E CA . 25618 1 58 . 1 1 23 23 GLU CB C 13 29.110 . . 1 . . . . 23 E CB . 25618 1 59 . 1 1 23 23 GLU N N 15 121.700 . . 1 . . . . 23 E N . 25618 1 60 . 1 1 24 24 GLU H H 1 8.542 . . 1 . . . . 24 E HN . 25618 1 61 . 1 1 24 24 GLU CA C 13 59.730 . . 1 . . . . 24 E CA . 25618 1 62 . 1 1 24 24 GLU CB C 13 29.190 . . 1 . . . . 24 E CB . 25618 1 63 . 1 1 24 24 GLU N N 15 120.600 . . 1 . . . . 24 E N . 25618 1 64 . 1 1 25 25 GLU H H 1 8.082 . . 1 . . . . 25 E HN . 25618 1 65 . 1 1 25 25 GLU CA C 13 59.370 . . 1 . . . . 25 E CA . 25618 1 66 . 1 1 25 25 GLU CB C 13 29.880 . . 1 . . . . 25 E CB . 25618 1 67 . 1 1 25 25 GLU N N 15 122.400 . . 1 . . . . 25 E N . 25618 1 68 . 1 1 26 26 THR H H 1 8.474 . . 1 . . . . 26 T HN . 25618 1 69 . 1 1 26 26 THR CA C 13 67.210 . . 1 . . . . 26 T CA . 25618 1 70 . 1 1 26 26 THR CB C 13 68.310 . . 1 . . . . 26 T CB . 25618 1 71 . 1 1 26 26 THR N N 15 117.200 . . 1 . . . . 26 T N . 25618 1 72 . 1 1 27 27 ALA H H 1 8.004 . . 1 . . . . 27 A HN . 25618 1 73 . 1 1 27 27 ALA CA C 13 55.020 . . 1 . . . . 27 A CA . 25618 1 74 . 1 1 27 27 ALA CB C 13 18.040 . . 1 . . . . 27 A CB . 25618 1 75 . 1 1 27 27 ALA N N 15 122.700 . . 1 . . . . 27 A N . 25618 1 76 . 1 1 28 28 ALA H H 1 7.994 . . 1 . . . . 28 A HN . 25618 1 77 . 1 1 28 28 ALA CA C 13 55.030 . . 1 . . . . 28 A CA . 25618 1 78 . 1 1 28 28 ALA CB C 13 18.140 . . 1 . . . . 28 A CB . 25618 1 79 . 1 1 28 28 ALA N N 15 122.000 . . 1 . . . . 28 A N . 25618 1 80 . 1 1 29 29 ILE H H 1 8.423 . . 1 . . . . 29 I HN . 25618 1 81 . 1 1 29 29 ILE CA C 13 65.650 . . 1 . . . . 29 I CA . 25618 1 82 . 1 1 29 29 ILE CB C 13 38.420 . . 1 . . . . 29 I CB . 25618 1 83 . 1 1 29 29 ILE N N 15 120.900 . . 1 . . . . 29 I N . 25618 1 84 . 1 1 30 30 GLN H H 1 8.130 . . 1 . . . . 30 Q HN . 25618 1 85 . 1 1 30 30 GLN CA C 13 60.310 . . 1 . . . . 30 Q CA . 25618 1 86 . 1 1 30 30 GLN CB C 13 29.560 . . 1 . . . . 30 Q CB . 25618 1 87 . 1 1 30 30 GLN N N 15 117.800 . . 1 . . . . 30 Q N . 25618 1 88 . 1 1 31 31 ALA H H 1 8.215 . . 1 . . . . 31 A HN . 25618 1 89 . 1 1 31 31 ALA CA C 13 54.870 . . 1 . . . . 31 A CA . 25618 1 90 . 1 1 31 31 ALA CB C 13 18.090 . . 1 . . . . 31 A CB . 25618 1 91 . 1 1 31 31 ALA N N 15 119.700 . . 1 . . . . 31 A N . 25618 1 92 . 1 1 32 32 HIS H H 1 7.926 . . 1 . . . . 32 H HN . 25618 1 93 . 1 1 32 32 HIS CA C 13 59.620 . . 1 . . . . 32 H CA . 25618 1 94 . 1 1 32 32 HIS CB C 13 30.540 . . 1 . . . . 32 H CB . 25618 1 95 . 1 1 32 32 HIS N N 15 116.500 . . 1 . . . . 32 H N . 25618 1 96 . 1 1 33 33 ILE H H 1 7.936 . . 1 . . . . 33 I HN . 25618 1 97 . 1 1 33 33 ILE CA C 13 64.870 . . 1 . . . . 33 I CA . 25618 1 98 . 1 1 33 33 ILE CB C 13 37.770 . . 1 . . . . 33 I CB . 25618 1 99 . 1 1 33 33 ILE N N 15 117.300 . . 1 . . . . 33 I N . 25618 1 100 . 1 1 34 34 GLN H H 1 8.017 . . 1 . . . . 34 Q HN . 25618 1 101 . 1 1 34 34 GLN CA C 13 58.340 . . 1 . . . . 34 Q CA . 25618 1 102 . 1 1 34 34 GLN CB C 13 28.570 . . 1 . . . . 34 Q CB . 25618 1 103 . 1 1 34 34 GLN N N 15 115.200 . . 1 . . . . 34 Q N . 25618 1 104 . 1 1 35 35 GLN H H 1 7.113 . . 1 . . . . 35 Q HN . 25618 1 105 . 1 1 35 35 GLN CA C 13 54.940 . . 1 . . . . 35 Q CA . 25618 1 106 . 1 1 35 35 GLN CB C 13 29.150 . . 1 . . . . 35 Q CB . 25618 1 107 . 1 1 35 35 GLN N N 15 113.800 . . 1 . . . . 35 Q N . 25618 1 108 . 1 1 36 36 LEU H H 1 7.070 . . 1 . . . . 36 L HN . 25618 1 109 . 1 1 36 36 LEU CA C 13 53.450 . . 1 . . . . 36 L CA . 25618 1 110 . 1 1 36 36 LEU CB C 13 38.940 . . 1 . . . . 36 L CB . 25618 1 111 . 1 1 36 36 LEU N N 15 124.300 . . 1 . . . . 36 L N . 25618 1 112 . 1 1 37 37 PRO CA C 13 63.230 . . 1 . . . . 37 P CA . 25618 1 113 . 1 1 37 37 PRO CB C 13 31.650 . . 1 . . . . 37 P CB . 25618 1 114 . 1 1 38 38 SER H H 1 8.628 . . 1 . . . . 38 S HN . 25618 1 115 . 1 1 38 38 SER CA C 13 57.180 . . 1 . . . . 38 S CA . 25618 1 116 . 1 1 38 38 SER CB C 13 65.460 . . 1 . . . . 38 S CB . 25618 1 117 . 1 1 38 38 SER N N 15 116.900 . . 1 . . . . 38 S N . 25618 1 118 . 1 1 39 39 ASN H H 1 8.707 . . 1 . . . . 39 N HN . 25618 1 119 . 1 1 39 39 ASN CA C 13 53.710 . . 1 . . . . 39 N CA . 25618 1 120 . 1 1 39 39 ASN CB C 13 39.130 . . 1 . . . . 39 N CB . 25618 1 121 . 1 1 39 39 ASN N N 15 124.700 . . 1 . . . . 39 N N . 25618 1 122 . 1 1 40 40 PHE H H 1 7.878 . . 1 . . . . 40 F HN . 25618 1 123 . 1 1 40 40 PHE CA C 13 55.740 . . 1 . . . . 40 F CA . 25618 1 124 . 1 1 40 40 PHE CB C 13 41.890 . . 1 . . . . 40 F CB . 25618 1 125 . 1 1 40 40 PHE N N 15 116.300 . . 1 . . . . 40 F N . 25618 1 126 . 1 1 41 41 SER H H 1 9.012 . . 1 . . . . 41 S HN . 25618 1 127 . 1 1 41 41 SER CA C 13 58.550 . . 1 . . . . 41 S CA . 25618 1 128 . 1 1 41 41 SER CB C 13 63.950 . . 1 . . . . 41 S CB . 25618 1 129 . 1 1 41 41 SER N N 15 118.500 . . 1 . . . . 41 S N . 25618 1 130 . 1 1 42 42 PHE H H 1 8.239 . . 1 . . . . 42 F HN . 25618 1 131 . 1 1 42 42 PHE CA C 13 55.280 . . 1 . . . . 42 F CA . 25618 1 132 . 1 1 42 42 PHE CB C 13 43.580 . . 1 . . . . 42 F CB . 25618 1 133 . 1 1 42 42 PHE N N 15 117.300 . . 1 . . . . 42 F N . 25618 1 134 . 1 1 43 43 GLU H H 1 8.501 . . 1 . . . . 43 E HN . 25618 1 135 . 1 1 43 43 GLU CA C 13 54.390 . . 1 . . . . 43 E CA . 25618 1 136 . 1 1 43 43 GLU CB C 13 33.090 . . 1 . . . . 43 E CB . 25618 1 137 . 1 1 43 43 GLU N N 15 120.100 . . 1 . . . . 43 E N . 25618 1 138 . 1 1 44 44 LEU H H 1 8.748 . . 1 . . . . 44 L HN . 25618 1 139 . 1 1 44 44 LEU CA C 13 54.220 . . 1 . . . . 44 L CA . 25618 1 140 . 1 1 44 44 LEU CB C 13 44.670 . . 1 . . . . 44 L CB . 25618 1 141 . 1 1 44 44 LEU N N 15 127.100 . . 1 . . . . 44 L N . 25618 1 142 . 1 1 45 45 LYS H H 1 8.426 . . 1 . . . . 45 K HN . 25618 1 143 . 1 1 45 45 LYS CA C 13 54.600 . . 1 . . . . 45 K CA . 25618 1 144 . 1 1 45 45 LYS CB C 13 34.660 . . 1 . . . . 45 K CB . 25618 1 145 . 1 1 45 45 LYS N N 15 128.200 . . 1 . . . . 45 K N . 25618 1 146 . 1 1 46 46 VAL H H 1 8.712 . . 1 . . . . 46 V HN . 25618 1 147 . 1 1 46 46 VAL CA C 13 62.230 . . 1 . . . . 46 V CA . 25618 1 148 . 1 1 46 46 VAL CB C 13 32.090 . . 1 . . . . 46 V CB . 25618 1 149 . 1 1 46 46 VAL N N 15 126.300 . . 1 . . . . 46 V N . 25618 1 150 . 1 1 47 47 VAL H H 1 9.295 . . 1 . . . . 47 V HN . 25618 1 151 . 1 1 47 47 VAL CA C 13 59.490 . . 1 . . . . 47 V CA . 25618 1 152 . 1 1 47 47 VAL CB C 13 33.500 . . 1 . . . . 47 V CB . 25618 1 153 . 1 1 47 47 VAL N N 15 131.400 . . 1 . . . . 47 V N . 25618 1 154 . 1 1 48 48 PRO CA C 13 61.380 . . 1 . . . . 48 P CA . 25618 1 155 . 1 1 48 48 PRO CB C 13 31.680 . . 1 . . . . 48 P CB . 25618 1 156 . 1 1 49 49 ILE H H 1 8.834 . . 1 . . . . 49 I HN . 25618 1 157 . 1 1 49 49 ILE CA C 13 62.170 . . 1 . . . . 49 I CA . 25618 1 158 . 1 1 49 49 ILE CB C 13 38.760 . . 1 . . . . 49 I CB . 25618 1 159 . 1 1 49 49 ILE N N 15 122.100 . . 1 . . . . 49 I N . 25618 1 160 . 1 1 50 50 GLY H H 1 8.625 . . 1 . . . . 50 G HN . 25618 1 161 . 1 1 50 50 GLY CA C 13 46.180 . . 1 . . . . 50 G CA . 25618 1 162 . 1 1 50 50 GLY N N 15 110.100 . . 1 . . . . 50 G N . 25618 1 163 . 1 1 51 51 GLU H H 1 8.073 . . 1 . . . . 51 E HN . 25618 1 164 . 1 1 51 51 GLU CA C 13 56.530 . . 1 . . . . 51 E CA . 25618 1 165 . 1 1 51 51 GLU CB C 13 30.440 . . 1 . . . . 51 E CB . 25618 1 166 . 1 1 51 51 GLU N N 15 118.400 . . 1 . . . . 51 E N . 25618 1 167 . 1 1 52 52 GLN H H 1 7.667 . . 1 . . . . 52 Q HN . 25618 1 168 . 1 1 52 52 GLN N N 15 117.500 . . 1 . . . . 52 Q N . 25618 1 169 . 1 1 53 53 PRO CA C 13 65.150 . . 1 . . . . 53 P CA . 25618 1 170 . 1 1 53 53 PRO CB C 13 31.340 . . 1 . . . . 53 P CB . 25618 1 171 . 1 1 54 54 TYR H H 1 7.637 . . 1 . . . . 54 Y HN . 25618 1 172 . 1 1 54 54 TYR CA C 13 58.710 . . 1 . . . . 54 Y CA . 25618 1 173 . 1 1 54 54 TYR CB C 13 37.190 . . 1 . . . . 54 Y CB . 25618 1 174 . 1 1 54 54 TYR N N 15 117.000 . . 1 . . . . 54 Y N . 25618 1 175 . 1 1 55 55 LEU H H 1 7.641 . . 1 . . . . 55 L HN . 25618 1 176 . 1 1 55 55 LEU CA C 13 57.060 . . 1 . . . . 55 L CA . 25618 1 177 . 1 1 55 55 LEU CB C 13 42.370 . . 1 . . . . 55 L CB . 25618 1 178 . 1 1 55 55 LEU N N 15 121.800 . . 1 . . . . 55 L N . 25618 1 179 . 1 1 56 56 LEU CB C 13 41.270 . . 1 . . . . 56 L CB . 25618 1 180 . 1 1 57 57 GLU H H 1 7.564 . . 1 . . . . 57 E HN . 25618 1 181 . 1 1 57 57 GLU CA C 13 58.340 . . 1 . . . . 57 E CA . 25618 1 182 . 1 1 57 57 GLU CB C 13 29.560 . . 1 . . . . 57 E CB . 25618 1 183 . 1 1 57 57 GLU N N 15 117.800 . . 1 . . . . 57 E N . 25618 1 184 . 1 1 58 58 GLU H H 1 8.000 . . 1 . . . . 58 E HN . 25618 1 185 . 1 1 58 58 GLU CA C 13 58.720 . . 1 . . . . 58 E CA . 25618 1 186 . 1 1 58 58 GLU CB C 13 29.670 . . 1 . . . . 58 E CB . 25618 1 187 . 1 1 58 58 GLU N N 15 120.200 . . 1 . . . . 58 E N . 25618 1 188 . 1 1 59 59 TYR H H 1 7.579 . . 1 . . . . 59 Y HN . 25618 1 189 . 1 1 59 59 TYR CA C 13 58.440 . . 1 . . . . 59 Y CA . 25618 1 190 . 1 1 59 59 TYR CB C 13 38.030 . . 1 . . . . 59 Y CB . 25618 1 191 . 1 1 59 59 TYR N N 15 114.700 . . 1 . . . . 59 Y N . 25618 1 192 . 1 1 60 60 LYS H H 1 7.664 . . 1 . . . . 60 K HN . 25618 1 193 . 1 1 60 60 LYS CA C 13 56.580 . . 1 . . . . 60 K CA . 25618 1 194 . 1 1 60 60 LYS CB C 13 29.530 . . 1 . . . . 60 K CB . 25618 1 195 . 1 1 60 60 LYS N N 15 118.400 . . 1 . . . . 60 K N . 25618 1 196 . 1 1 61 61 LEU H H 1 7.978 . . 1 . . . . 61 L HN . 25618 1 197 . 1 1 61 61 LEU CA C 13 54.270 . . 1 . . . . 61 L CA . 25618 1 198 . 1 1 61 61 LEU CB C 13 43.380 . . 1 . . . . 61 L CB . 25618 1 199 . 1 1 61 61 LEU N N 15 119.000 . . 1 . . . . 61 L N . 25618 1 200 . 1 1 62 62 VAL H H 1 8.370 . . 1 . . . . 62 V HN . 25618 1 201 . 1 1 62 62 VAL CA C 13 62.150 . . 1 . . . . 62 V CA . 25618 1 202 . 1 1 62 62 VAL CB C 13 32.880 . . 1 . . . . 62 V CB . 25618 1 203 . 1 1 62 62 VAL N N 15 117.600 . . 1 . . . . 62 V N . 25618 1 204 . 1 1 63 63 ALA H H 1 7.662 . . 1 . . . . 63 A HN . 25618 1 205 . 1 1 63 63 ALA CA C 13 51.580 . . 1 . . . . 63 A CA . 25618 1 206 . 1 1 63 63 ALA CB C 13 21.610 . . 1 . . . . 63 A CB . 25618 1 207 . 1 1 63 63 ALA N N 15 123.100 . . 1 . . . . 63 A N . 25618 1 208 . 1 1 64 64 THR H H 1 7.709 . . 1 . . . . 64 T HN . 25618 1 209 . 1 1 64 64 THR CA C 13 58.500 . . 1 . . . . 64 T CA . 25618 1 210 . 1 1 64 64 THR CB C 13 69.430 . . 1 . . . . 64 T CB . 25618 1 211 . 1 1 64 64 THR N N 15 106.800 . . 1 . . . . 64 T N . 25618 1 212 . 1 1 65 65 PRO CA C 13 62.090 . . 1 . . . . 65 P CA . 25618 1 213 . 1 1 65 65 PRO CB C 13 35.030 . . 1 . . . . 65 P CB . 25618 1 214 . 1 1 66 66 ALA H H 1 8.784 . . 1 . . . . 66 A HN . 25618 1 215 . 1 1 66 66 ALA CA C 13 51.370 . . 1 . . . . 66 A CA . 25618 1 216 . 1 1 66 66 ALA CB C 13 23.910 . . 1 . . . . 66 A CB . 25618 1 217 . 1 1 66 66 ALA N N 15 122.100 . . 1 . . . . 66 A N . 25618 1 218 . 1 1 67 67 LEU H H 1 9.608 . . 1 . . . . 67 L HN . 25618 1 219 . 1 1 67 67 LEU CA C 13 53.050 . . 1 . . . . 67 L CA . 25618 1 220 . 1 1 67 67 LEU CB C 13 46.950 . . 1 . . . . 67 L CB . 25618 1 221 . 1 1 67 67 LEU N N 15 125.300 . . 1 . . . . 67 L N . 25618 1 222 . 1 1 68 68 ILE H H 1 9.892 . . 1 . . . . 68 I HN . 25618 1 223 . 1 1 68 68 ILE CA C 13 59.590 . . 1 . . . . 68 I CA . 25618 1 224 . 1 1 68 68 ILE CB C 13 40.360 . . 1 . . . . 68 I CB . 25618 1 225 . 1 1 68 68 ILE N N 15 126.000 . . 1 . . . . 68 I N . 25618 1 226 . 1 1 69 69 LYS H H 1 8.948 . . 1 . . . . 69 K HN . 25618 1 227 . 1 1 69 69 LYS CA C 13 55.740 . . 1 . . . . 69 K CA . 25618 1 228 . 1 1 69 69 LYS CB C 13 31.590 . . 1 . . . . 69 K CB . 25618 1 229 . 1 1 69 69 LYS N N 15 130.000 . . 1 . . . . 69 K N . 25618 1 230 . 1 1 70 70 VAL H H 1 8.325 . . 1 . . . . 70 V HN . 25618 1 231 . 1 1 70 70 VAL CA C 13 62.910 . . 1 . . . . 70 V CA . 25618 1 232 . 1 1 70 70 VAL CB C 13 33.110 . . 1 . . . . 70 V CB . 25618 1 233 . 1 1 70 70 VAL N N 15 123.000 . . 1 . . . . 70 V N . 25618 1 234 . 1 1 71 71 ARG H H 1 7.432 . . 1 . . . . 71 R HN . 25618 1 235 . 1 1 71 71 ARG CA C 13 53.800 . . 1 . . . . 71 R CA . 25618 1 236 . 1 1 71 71 ARG CB C 13 34.170 . . 1 . . . . 71 R CB . 25618 1 237 . 1 1 71 71 ARG N N 15 118.200 . . 1 . . . . 71 R N . 25618 1 238 . 1 1 72 72 PRO CA C 13 62.240 . . 1 . . . . 72 P CA . 25618 1 239 . 1 1 72 72 PRO CB C 13 34.090 . . 1 . . . . 72 P CB . 25618 1 240 . 1 1 73 73 GLU H H 1 8.572 . . 1 . . . . 73 E HN . 25618 1 241 . 1 1 73 73 GLU CA C 13 56.160 . . 1 . . . . 73 E CA . 25618 1 242 . 1 1 73 73 GLU CB C 13 28.750 . . 1 . . . . 73 E CB . 25618 1 243 . 1 1 73 73 GLU N N 15 120.800 . . 1 . . . . 73 E N . 25618 1 244 . 1 1 74 74 PRO CA C 13 61.320 . . 1 . . . . 74 P CA . 25618 1 245 . 1 1 74 74 PRO CB C 13 34.680 . . 1 . . . . 74 P CB . 25618 1 246 . 1 1 75 75 ARG H H 1 8.406 . . 1 . . . . 75 R HN . 25618 1 247 . 1 1 75 75 ARG CA C 13 56.440 . . 1 . . . . 75 R CA . 25618 1 248 . 1 1 75 75 ARG CB C 13 31.120 . . 1 . . . . 75 R CB . 25618 1 249 . 1 1 75 75 ARG N N 15 122.000 . . 1 . . . . 75 R N . 25618 1 250 . 1 1 76 76 GLN H H 1 8.019 . . 1 . . . . 76 Q HN . 25618 1 251 . 1 1 76 76 GLN CB C 13 31.130 . . 1 . . . . 76 Q CB . 25618 1 252 . 1 1 76 76 GLN N N 15 123.000 . . 1 . . . . 76 Q N . 25618 1 253 . 1 1 77 77 THR CA C 13 62.200 . . 1 . . . . 77 T CA . 25618 1 254 . 1 1 77 77 THR CB C 13 70.220 . . 1 . . . . 77 T CB . 25618 1 255 . 1 1 78 78 LEU H H 1 9.593 . . 1 . . . . 78 L HN . 25618 1 256 . 1 1 78 78 LEU CA C 13 53.550 . . 1 . . . . 78 L CA . 25618 1 257 . 1 1 78 78 LEU CB C 13 44.200 . . 1 . . . . 78 L CB . 25618 1 258 . 1 1 78 78 LEU N N 15 128.900 . . 1 . . . . 78 L N . 25618 1 259 . 1 1 79 79 ALA H H 1 8.648 . . 1 . . . . 79 A HN . 25618 1 260 . 1 1 79 79 ALA CA C 13 51.810 . . 1 . . . . 79 A CA . 25618 1 261 . 1 1 79 79 ALA CB C 13 23.520 . . 1 . . . . 79 A CB . 25618 1 262 . 1 1 79 79 ALA N N 15 123.800 . . 1 . . . . 79 A N . 25618 1 263 . 1 1 80 80 GLY H H 1 8.620 . . 1 . . . . 80 G HN . 25618 1 264 . 1 1 80 80 GLY CA C 13 44.790 . . 1 . . . . 80 G CA . 25618 1 265 . 1 1 80 80 GLY N N 15 106.400 . . 1 . . . . 80 G N . 25618 1 266 . 1 1 81 81 ARG H H 1 8.588 . . 1 . . . . 81 R HN . 25618 1 267 . 1 1 81 81 ARG N N 15 119.500 . . 1 . . . . 81 R N . 25618 1 268 . 1 1 82 82 LYS CA C 13 55.600 . . 1 . . . . 82 K CA . 25618 1 269 . 1 1 82 82 LYS CB C 13 30.240 . . 1 . . . . 82 K CB . 25618 1 270 . 1 1 83 83 LEU H H 1 7.495 . . 1 . . . . 83 L HN . 25618 1 271 . 1 1 83 83 LEU CA C 13 59.880 . . 1 . . . . 83 L CA . 25618 1 272 . 1 1 83 83 LEU CB C 13 42.060 . . 1 . . . . 83 L CB . 25618 1 273 . 1 1 83 83 LEU N N 15 119.900 . . 1 . . . . 83 L N . 25618 1 274 . 1 1 84 84 LEU H H 1 8.711 . . 1 . . . . 84 L HN . 25618 1 275 . 1 1 84 84 LEU CA C 13 58.420 . . 1 . . . . 84 L CA . 25618 1 276 . 1 1 84 84 LEU CB C 13 40.130 . . 1 . . . . 84 L CB . 25618 1 277 . 1 1 84 84 LEU N N 15 115.800 . . 1 . . . . 84 L N . 25618 1 278 . 1 1 85 85 GLN H H 1 7.574 . . 1 . . . . 85 Q HN . 25618 1 279 . 1 1 85 85 GLN CA C 13 59.650 . . 1 . . . . 85 Q CA . 25618 1 280 . 1 1 85 85 GLN CB C 13 28.380 . . 1 . . . . 85 Q CB . 25618 1 281 . 1 1 85 85 GLN N N 15 118.100 . . 1 . . . . 85 Q N . 25618 1 282 . 1 1 86 86 LYS CA C 13 59.980 . . 1 . . . . 86 K CA . 25618 1 283 . 1 1 86 86 LYS CB C 13 33.330 . . 1 . . . . 86 K CB . 25618 1 284 . 1 1 87 87 VAL H H 1 8.819 . . 1 . . . . 87 V HN . 25618 1 285 . 1 1 87 87 VAL CA C 13 67.190 . . 1 . . . . 87 V CA . 25618 1 286 . 1 1 87 87 VAL CB C 13 31.450 . . 1 . . . . 87 V CB . 25618 1 287 . 1 1 87 87 VAL N N 15 121.500 . . 1 . . . . 87 V N . 25618 1 288 . 1 1 88 88 ASP H H 1 8.119 . . 1 . . . . 88 D HN . 25618 1 289 . 1 1 88 88 ASP CA C 13 57.460 . . 1 . . . . 88 D CA . 25618 1 290 . 1 1 88 88 ASP CB C 13 39.880 . . 1 . . . . 88 D CB . 25618 1 291 . 1 1 88 88 ASP N N 15 119.600 . . 1 . . . . 88 D N . 25618 1 292 . 1 1 89 89 TYR H H 1 7.503 . . 1 . . . . 89 Y HN . 25618 1 293 . 1 1 89 89 TYR CA C 13 61.240 . . 1 . . . . 89 Y CA . 25618 1 294 . 1 1 89 89 TYR CB C 13 38.580 . . 1 . . . . 89 Y CB . 25618 1 295 . 1 1 89 89 TYR N N 15 119.100 . . 1 . . . . 89 Y N . 25618 1 296 . 1 1 90 90 TRP H H 1 8.213 . . 1 . . . . 90 W HN . 25618 1 297 . 1 1 90 90 TRP CA C 13 59.840 . . 1 . . . . 90 W CA . 25618 1 298 . 1 1 90 90 TRP CB C 13 28.710 . . 1 . . . . 90 W CB . 25618 1 299 . 1 1 90 90 TRP N N 15 117.600 . . 1 . . . . 90 W N . 25618 1 300 . 1 1 91 91 TRP H H 1 9.105 . . 1 . . . . 91 W HN . 25618 1 301 . 1 1 91 91 TRP CA C 13 63.250 . . 1 . . . . 91 W CA . 25618 1 302 . 1 1 91 91 TRP CB C 13 26.030 . . 1 . . . . 91 W CB . 25618 1 303 . 1 1 91 91 TRP N N 15 121.400 . . 1 . . . . 91 W N . 25618 1 304 . 1 1 92 92 PRO CA C 13 65.640 . . 1 . . . . 92 P CA . 25618 1 305 . 1 1 92 92 PRO CB C 13 30.970 . . 1 . . . . 92 P CB . 25618 1 306 . 1 1 93 93 ARG H H 1 6.904 . . 1 . . . . 93 R HN . 25618 1 307 . 1 1 93 93 ARG CA C 13 59.190 . . 1 . . . . 93 R CA . 25618 1 308 . 1 1 93 93 ARG CB C 13 28.790 . . 1 . . . . 93 R CB . 25618 1 309 . 1 1 93 93 ARG N N 15 119.000 . . 1 . . . . 93 R N . 25618 1 310 . 1 1 94 94 TRP H H 1 8.771 . . 1 . . . . 94 W HN . 25618 1 311 . 1 1 94 94 TRP CA C 13 57.820 . . 1 . . . . 94 W CA . 25618 1 312 . 1 1 94 94 TRP CB C 13 28.480 . . 1 . . . . 94 W CB . 25618 1 313 . 1 1 94 94 TRP N N 15 122.600 . . 1 . . . . 94 W N . 25618 1 314 . 1 1 95 95 GLN H H 1 7.992 . . 1 . . . . 95 Q HN . 25618 1 315 . 1 1 95 95 GLN CA C 13 58.360 . . 1 . . . . 95 Q CA . 25618 1 316 . 1 1 95 95 GLN CB C 13 28.680 . . 1 . . . . 95 Q CB . 25618 1 317 . 1 1 95 95 GLN N N 15 115.100 . . 1 . . . . 95 Q N . 25618 1 318 . 1 1 96 96 ARG H H 1 7.344 . . 1 . . . . 96 R HN . 25618 1 319 . 1 1 96 96 ARG CA C 13 58.380 . . 1 . . . . 96 R CA . 25618 1 320 . 1 1 96 96 ARG CB C 13 29.780 . . 1 . . . . 96 R CB . 25618 1 321 . 1 1 96 96 ARG N N 15 118.100 . . 1 . . . . 96 R N . 25618 1 322 . 1 1 97 97 GLU H H 1 8.095 . . 1 . . . . 97 E HN . 25618 1 323 . 1 1 97 97 GLU CA C 13 58.980 . . 1 . . . . 97 E CA . 25618 1 324 . 1 1 97 97 GLU CB C 13 30.120 . . 1 . . . . 97 E CB . 25618 1 325 . 1 1 97 97 GLU N N 15 119.100 . . 1 . . . . 97 E N . 25618 1 326 . 1 1 99 99 ALA H H 1 7.545 . . 1 . . . . 99 A HN . 25618 1 327 . 1 1 99 99 ALA CA C 13 53.380 . . 1 . . . . 99 A CA . 25618 1 328 . 1 1 99 99 ALA CB C 13 19.160 . . 1 . . . . 99 A CB . 25618 1 329 . 1 1 99 99 ALA N N 15 122.400 . . 1 . . . . 99 A N . 25618 1 330 . 1 1 100 100 LEU H H 1 7.898 . . 1 . . . . 100 L HN . 25618 1 331 . 1 1 100 100 LEU CA C 13 56.320 . . 1 . . . . 100 L CA . 25618 1 332 . 1 1 100 100 LEU CB C 13 41.810 . . 1 . . . . 100 L CB . 25618 1 333 . 1 1 100 100 LEU N N 15 118.600 . . 1 . . . . 100 L N . 25618 1 stop_ save_