################################### # 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 17141 _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' . . . 17141 1 2 '3D HNCO' . . . 17141 1 3 '3D HNCA' . . . 17141 1 4 '3D HNCACB' . . . 17141 1 5 '3D HN(CO)CA' . . . 17141 1 6 '3D HN(COCA)CB' . . . 17141 1 7 '3D HN(CA)CO' . . . 17141 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 1 $NMRPipe . . 17141 1 2 $NMRView . . 17141 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 7 7 GLY CA C 13 46.000 0.300 . 1 . . . . 7 G CA . 17141 1 2 . 1 1 7 7 GLY C C 13 174.700 0.300 . 1 . . . . 7 G C . 17141 1 3 . 1 1 8 8 LEU N N 15 121.850 0.300 . 1 . . . . 8 L N . 17141 1 4 . 1 1 8 8 LEU H H 1 7.990 0.030 . 1 . . . . 8 L HN . 17141 1 5 . 1 1 8 8 LEU CA C 13 59.000 0.300 . 1 . . . . 8 L CA . 17141 1 6 . 1 1 8 8 LEU CB C 13 42.100 0.300 . 1 . . . . 8 L CB . 17141 1 7 . 1 1 11 11 ASN CA C 13 56.100 0.300 . 1 . . . . 11 N CA . 17141 1 8 . 1 1 11 11 ASN CB C 13 38.300 0.300 . 1 . . . . 11 N CB . 17141 1 9 . 1 1 11 11 ASN C C 13 177.500 0.300 . 1 . . . . 11 N C . 17141 1 10 . 1 1 12 12 LEU N N 15 121.130 0.300 . 1 . . . . 12 L N . 17141 1 11 . 1 1 12 12 LEU H H 1 8.280 0.030 . 1 . . . . 12 L HN . 17141 1 12 . 1 1 12 12 LEU CA C 13 58.000 0.300 . 1 . . . . 12 L CA . 17141 1 13 . 1 1 12 12 LEU CB C 13 42.300 0.300 . 1 . . . . 12 L CB . 17141 1 14 . 1 1 12 12 LEU C C 13 180.650 0.300 . 1 . . . . 12 L C . 17141 1 15 . 1 1 13 13 LEU N N 15 120.250 0.300 . 1 . . . . 13 L N . 17141 1 16 . 1 1 13 13 LEU H H 1 8.240 0.030 . 1 . . . . 13 L HN . 17141 1 17 . 1 1 13 13 LEU CA C 13 57.800 0.300 . 1 . . . . 13 L CA . 17141 1 18 . 1 1 13 13 LEU CB C 13 41.700 0.300 . 1 . . . . 13 L CB . 17141 1 19 . 1 1 13 13 LEU C C 13 178.450 0.300 . 1 . . . . 13 L C . 17141 1 20 . 1 1 14 14 GLN N N 15 119.290 0.300 . 1 . . . . 14 Q N . 17141 1 21 . 1 1 14 14 GLN H H 1 7.950 0.030 . 1 . . . . 14 Q HN . 17141 1 22 . 1 1 14 14 GLN CA C 13 59.800 0.300 . 1 . . . . 14 Q CA . 17141 1 23 . 1 1 14 14 GLN CB C 13 28.350 0.300 . 1 . . . . 14 Q CB . 17141 1 24 . 1 1 14 14 GLN C C 13 178.600 0.300 . 1 . . . . 14 Q C . 17141 1 25 . 1 1 15 15 GLU N N 15 120.600 0.300 . 1 . . . . 15 E N . 17141 1 26 . 1 1 15 15 GLU H H 1 8.320 0.030 . 1 . . . . 15 E HN . 17141 1 27 . 1 1 15 15 GLU CA C 13 59.600 0.300 . 1 . . . . 15 E CA . 17141 1 28 . 1 1 15 15 GLU CB C 13 29.800 0.300 . 1 . . . . 15 E CB . 17141 1 29 . 1 1 15 15 GLU C C 13 178.850 0.300 . 1 . . . . 15 E C . 17141 1 30 . 1 1 16 16 TYR N N 15 121.440 0.300 . 1 . . . . 16 Y N . 17141 1 31 . 1 1 16 16 TYR H H 1 8.050 0.030 . 1 . . . . 16 Y HN . 17141 1 32 . 1 1 16 16 TYR CA C 13 61.500 0.300 . 1 . . . . 16 Y CA . 17141 1 33 . 1 1 16 16 TYR CB C 13 38.250 0.300 . 1 . . . . 16 Y CB . 17141 1 34 . 1 1 16 16 TYR C C 13 176.400 0.300 . 1 . . . . 16 Y C . 17141 1 35 . 1 1 17 17 ALA N N 15 120.120 0.300 . 1 . . . . 17 A N . 17141 1 36 . 1 1 17 17 ALA H H 1 8.390 0.030 . 1 . . . . 17 A HN . 17141 1 37 . 1 1 17 17 ALA CA C 13 55.650 0.300 . 1 . . . . 17 A CA . 17141 1 38 . 1 1 17 17 ALA CB C 13 18.100 0.300 . 1 . . . . 17 A CB . 17141 1 39 . 1 1 17 17 ALA C C 13 179.000 0.300 . 1 . . . . 17 A C . 17141 1 40 . 1 1 18 18 GLN N N 15 115.810 0.300 . 1 . . . . 18 Q N . 17141 1 41 . 1 1 18 18 GLN H H 1 7.970 0.030 . 1 . . . . 18 Q HN . 17141 1 42 . 1 1 18 18 GLN CB C 13 28.700 0.300 . 1 . . . . 18 Q CB . 17141 1 43 . 1 1 18 18 GLN C C 13 179.850 0.300 . 1 . . . . 18 Q C . 17141 1 44 . 1 1 19 19 LYS N N 15 121.560 0.300 . 1 . . . . 19 K N . 17141 1 45 . 1 1 19 19 LYS H H 1 7.990 0.030 . 1 . . . . 19 K HN . 17141 1 46 . 1 1 19 19 LYS CA C 13 59.000 0.300 . 1 . . . . 19 K CA . 17141 1 47 . 1 1 19 19 LYS CB C 13 32.400 0.300 . 1 . . . . 19 K CB . 17141 1 48 . 1 1 19 19 LYS C C 13 178.000 0.300 . 1 . . . . 19 K C . 17141 1 49 . 1 1 20 20 MET N N 15 114.720 0.300 . 1 . . . . 20 M N . 17141 1 50 . 1 1 20 20 MET H H 1 7.230 0.030 . 1 . . . . 20 M HN . 17141 1 51 . 1 1 20 20 MET CA C 13 53.000 0.300 . 1 . . . . 20 M CA . 17141 1 52 . 1 1 20 20 MET CB C 13 29.650 0.300 . 1 . . . . 20 M CB . 17141 1 53 . 1 1 20 20 MET C C 13 175.300 0.300 . 1 . . . . 20 M C . 17141 1 54 . 1 1 21 21 ASN N N 15 114.180 0.300 . 1 . . . . 21 N N . 17141 1 55 . 1 1 21 21 ASN H H 1 7.660 0.030 . 1 . . . . 21 N HN . 17141 1 56 . 1 1 21 21 ASN CA C 13 54.600 0.300 . 1 . . . . 21 N CA . 17141 1 57 . 1 1 21 21 ASN CB C 13 37.250 0.300 . 1 . . . . 21 N CB . 17141 1 58 . 1 1 21 21 ASN C C 13 175.200 0.300 . 1 . . . . 21 N C . 17141 1 59 . 1 1 22 22 TYR N N 15 116.950 0.300 . 1 . . . . 22 Y N . 17141 1 60 . 1 1 22 22 TYR H H 1 8.450 0.030 . 1 . . . . 22 Y HN . 17141 1 61 . 1 1 22 22 TYR CA C 13 52.900 0.300 . 1 . . . . 22 Y CA . 17141 1 62 . 1 1 22 22 TYR CB C 13 39.450 0.300 . 1 . . . . 22 Y CB . 17141 1 63 . 1 1 22 22 TYR C C 13 176.100 0.300 . 1 . . . . 22 Y C . 17141 1 64 . 1 1 23 23 ALA N N 15 122.380 0.300 . 1 . . . . 23 A N . 17141 1 65 . 1 1 23 23 ALA H H 1 8.290 0.030 . 1 . . . . 23 A HN . 17141 1 66 . 1 1 23 23 ALA CA C 13 51.800 0.300 . 1 . . . . 23 A CA . 17141 1 67 . 1 1 23 23 ALA CB C 13 19.600 0.300 . 1 . . . . 23 A CB . 17141 1 68 . 1 1 23 23 ALA C C 13 177.000 0.300 . 1 . . . . 23 A C . 17141 1 69 . 1 1 24 24 ILE N N 15 119.790 0.300 . 1 . . . . 24 I N . 17141 1 70 . 1 1 24 24 ILE H H 1 7.990 0.030 . 1 . . . . 24 I HN . 17141 1 71 . 1 1 24 24 ILE CA C 13 60.100 0.300 . 1 . . . . 24 I CA . 17141 1 72 . 1 1 24 24 ILE CB C 13 38.600 0.300 . 1 . . . . 24 I CB . 17141 1 73 . 1 1 24 24 ILE C C 13 175.300 0.300 . 1 . . . . 24 I C . 17141 1 74 . 1 1 25 25 PRO CA C 13 63.800 0.300 . 1 . . . . 25 P CA . 17141 1 75 . 1 1 25 25 PRO CB C 13 32.800 0.300 . 1 . . . . 25 P CB . 17141 1 76 . 1 1 25 25 PRO C C 13 174.800 0.300 . 1 . . . . 25 P C . 17141 1 77 . 1 1 26 26 LEU N N 15 124.370 0.300 . 1 . . . . 26 L N . 17141 1 78 . 1 1 26 26 LEU H H 1 7.710 0.030 . 1 . . . . 26 L HN . 17141 1 79 . 1 1 26 26 LEU CA C 13 53.800 0.300 . 1 . . . . 26 L CA . 17141 1 80 . 1 1 26 26 LEU CB C 13 44.950 0.300 . 1 . . . . 26 L CB . 17141 1 81 . 1 1 26 26 LEU C C 13 175.850 0.300 . 1 . . . . 26 L C . 17141 1 82 . 1 1 27 27 TYR N N 15 126.330 0.300 . 1 . . . . 27 Y N . 17141 1 83 . 1 1 27 27 TYR H H 1 9.170 0.030 . 1 . . . . 27 Y HN . 17141 1 84 . 1 1 27 27 TYR CA C 13 57.650 0.300 . 1 . . . . 27 Y CA . 17141 1 85 . 1 1 27 27 TYR CB C 13 40.250 0.300 . 1 . . . . 27 Y CB . 17141 1 86 . 1 1 27 27 TYR C C 13 175.900 0.300 . 1 . . . . 27 Y C . 17141 1 87 . 1 1 28 28 GLN N N 15 123.270 0.300 . 1 . . . . 28 Q N . 17141 1 88 . 1 1 28 28 GLN H H 1 8.870 0.030 . 1 . . . . 28 Q HN . 17141 1 89 . 1 1 28 28 GLN CA C 13 55.500 0.300 . 1 . . . . 28 Q CA . 17141 1 90 . 1 1 28 28 GLN CB C 13 31.700 0.300 . 1 . . . . 28 Q CB . 17141 1 91 . 1 1 28 28 GLN C C 13 175.300 0.300 . 1 . . . . 28 Q C . 17141 1 92 . 1 1 29 29 CYS CA C 13 56.100 0.300 . 1 . . . . 29 C CA . 17141 1 93 . 1 1 29 29 CYS CB C 13 49.600 0.300 . 1 . . . . 29 C CB . 17141 1 94 . 1 1 29 29 CYS C C 13 173.100 0.300 . 1 . . . . 29 C C . 17141 1 95 . 1 1 30 30 GLN N N 15 120.920 0.300 . 1 . . . . 30 Q N . 17141 1 96 . 1 1 30 30 GLN H H 1 9.260 0.030 . 1 . . . . 30 Q HN . 17141 1 97 . 1 1 30 30 GLN CA C 13 54.500 0.300 . 1 . . . . 30 Q CA . 17141 1 98 . 1 1 30 30 GLN CB C 13 32.400 0.300 . 1 . . . . 30 Q CB . 17141 1 99 . 1 1 30 30 GLN C C 13 173.600 0.300 . 1 . . . . 30 Q C . 17141 1 100 . 1 1 31 31 LYS N N 15 123.470 0.300 . 1 . . . . 31 K N . 17141 1 101 . 1 1 31 31 LYS H H 1 8.520 0.030 . 1 . . . . 31 K HN . 17141 1 102 . 1 1 31 31 LYS CA C 13 55.200 0.300 . 1 . . . . 31 K CA . 17141 1 103 . 1 1 31 31 LYS CB C 13 34.350 0.300 . 1 . . . . 31 K CB . 17141 1 104 . 1 1 31 31 LYS C C 13 176.000 0.300 . 1 . . . . 31 K C . 17141 1 105 . 1 1 32 32 VAL N N 15 125.250 0.300 . 1 . . . . 32 V N . 17141 1 106 . 1 1 32 32 VAL H H 1 8.780 0.030 . 1 . . . . 32 V HN . 17141 1 107 . 1 1 32 32 VAL CA C 13 61.300 0.300 . 1 . . . . 32 V CA . 17141 1 108 . 1 1 32 32 VAL CB C 13 34.350 0.300 . 1 . . . . 32 V CB . 17141 1 109 . 1 1 32 32 VAL C C 13 174.700 0.300 . 1 . . . . 32 V C . 17141 1 110 . 1 1 33 33 GLU N N 15 126.810 0.300 . 1 . . . . 33 E N . 17141 1 111 . 1 1 33 33 GLU H H 1 8.610 0.030 . 1 . . . . 33 E HN . 17141 1 112 . 1 1 33 33 GLU CA C 13 55.150 0.300 . 1 . . . . 33 E CA . 17141 1 113 . 1 1 33 33 GLU CB C 13 31.700 0.300 . 1 . . . . 33 E CB . 17141 1 114 . 1 1 33 33 GLU C C 13 176.100 0.300 . 1 . . . . 33 E C . 17141 1 115 . 1 1 34 34 THR N N 15 118.420 0.300 . 1 . . . . 34 T N . 17141 1 116 . 1 1 34 34 THR H H 1 8.560 0.030 . 1 . . . . 34 T HN . 17141 1 117 . 1 1 34 34 THR CA C 13 60.900 0.300 . 1 . . . . 34 T CA . 17141 1 118 . 1 1 34 34 THR CB C 13 70.800 0.300 . 1 . . . . 34 T CB . 17141 1 119 . 1 1 34 34 THR C C 13 174.300 0.300 . 1 . . . . 34 T C . 17141 1 120 . 1 1 36 36 GLY CA C 13 45.500 0.300 . 1 . . . . 36 G CA . 17141 1 121 . 1 1 36 36 GLY C C 13 174.000 0.300 . 1 . . . . 36 G C . 17141 1 122 . 1 1 37 37 ARG N N 15 117.670 0.300 . 1 . . . . 37 R N . 17141 1 123 . 1 1 37 37 ARG H H 1 8.160 0.030 . 1 . . . . 37 R HN . 17141 1 124 . 1 1 37 37 ARG CA C 13 55.600 0.300 . 1 . . . . 37 R CA . 17141 1 125 . 1 1 37 37 ARG CB C 13 30.450 0.300 . 1 . . . . 37 R CB . 17141 1 126 . 1 1 37 37 ARG C C 13 175.700 0.300 . 1 . . . . 37 R C . 17141 1 127 . 1 1 38 38 VAL N N 15 120.350 0.300 . 1 . . . . 38 V N . 17141 1 128 . 1 1 38 38 VAL H H 1 7.790 0.030 . 1 . . . . 38 V HN . 17141 1 129 . 1 1 38 38 VAL CA C 13 62.200 0.300 . 1 . . . . 38 V CA . 17141 1 130 . 1 1 38 38 VAL CB C 13 32.950 0.300 . 1 . . . . 38 V CB . 17141 1 131 . 1 1 38 38 VAL C C 13 176.200 0.300 . 1 . . . . 38 V C . 17141 1 132 . 1 1 39 39 THR N N 15 123.680 0.300 . 1 . . . . 39 T N . 17141 1 133 . 1 1 39 39 THR H H 1 8.550 0.030 . 1 . . . . 39 T HN . 17141 1 134 . 1 1 39 39 THR CA C 13 63.450 0.300 . 1 . . . . 39 T CA . 17141 1 135 . 1 1 39 39 THR CB C 13 69.350 0.300 . 1 . . . . 39 T CB . 17141 1 136 . 1 1 39 39 THR C C 13 173.700 0.300 . 1 . . . . 39 T C . 17141 1 137 . 1 1 40 40 GLN N N 15 122.670 0.300 . 1 . . . . 40 Q N . 17141 1 138 . 1 1 40 40 GLN H H 1 8.250 0.030 . 1 . . . . 40 Q HN . 17141 1 139 . 1 1 40 40 GLN CA C 13 54.250 0.300 . 1 . . . . 40 Q CA . 17141 1 140 . 1 1 40 40 GLN CB C 13 33.950 0.300 . 1 . . . . 40 Q CB . 17141 1 141 . 1 1 40 40 GLN C C 13 173.800 0.300 . 1 . . . . 40 Q C . 17141 1 142 . 1 1 41 41 PHE N N 15 119.660 0.300 . 1 . . . . 41 F N . 17141 1 143 . 1 1 41 41 PHE H H 1 9.330 0.030 . 1 . . . . 41 F HN . 17141 1 144 . 1 1 41 41 PHE CA C 13 57.100 0.300 . 1 . . . . 41 F CA . 17141 1 145 . 1 1 41 41 PHE CB C 13 44.000 0.300 . 1 . . . . 41 F CB . 17141 1 146 . 1 1 41 41 PHE C C 13 174.850 0.300 . 1 . . . . 41 F C . 17141 1 147 . 1 1 42 42 THR N N 15 112.280 0.300 . 1 . . . . 42 T N . 17141 1 148 . 1 1 42 42 THR H H 1 8.500 0.030 . 1 . . . . 42 T HN . 17141 1 149 . 1 1 42 42 THR CA C 13 61.500 0.300 . 1 . . . . 42 T CA . 17141 1 150 . 1 1 42 42 THR CB C 13 71.450 0.300 . 1 . . . . 42 T CB . 17141 1 151 . 1 1 42 42 THR C C 13 174.300 0.300 . 1 . . . . 42 T C . 17141 1 152 . 1 1 43 43 CYS N N 15 123.420 0.300 . 1 . . . . 43 C N . 17141 1 153 . 1 1 43 43 CYS H H 1 9.820 0.030 . 1 . . . . 43 C HN . 17141 1 154 . 1 1 43 43 CYS CA C 13 55.950 0.300 . 1 . . . . 43 C CA . 17141 1 155 . 1 1 43 43 CYS CB C 13 49.200 0.300 . 1 . . . . 43 C CB . 17141 1 156 . 1 1 43 43 CYS C C 13 172.100 0.300 . 1 . . . . 43 C C . 17141 1 157 . 1 1 44 44 THR N N 15 114.230 0.300 . 1 . . . . 44 T N . 17141 1 158 . 1 1 44 44 THR H H 1 9.280 0.030 . 1 . . . . 44 T HN . 17141 1 159 . 1 1 44 44 THR CA C 13 59.900 0.300 . 1 . . . . 44 T CA . 17141 1 160 . 1 1 44 44 THR CB C 13 72.050 0.300 . 1 . . . . 44 T CB . 17141 1 161 . 1 1 44 44 THR C C 13 173.900 0.300 . 1 . . . . 44 T C . 17141 1 162 . 1 1 45 45 VAL N N 15 122.140 0.300 . 1 . . . . 45 V N . 17141 1 163 . 1 1 45 45 VAL H H 1 9.160 0.030 . 1 . . . . 45 V HN . 17141 1 164 . 1 1 45 45 VAL CA C 13 58.550 0.300 . 1 . . . . 45 V CA . 17141 1 165 . 1 1 45 45 VAL CB C 13 35.600 0.300 . 1 . . . . 45 V CB . 17141 1 166 . 1 1 45 45 VAL C C 13 172.200 0.300 . 1 . . . . 45 V C . 17141 1 167 . 1 1 46 46 GLU N N 15 129.420 0.300 . 1 . . . . 46 E N . 17141 1 168 . 1 1 46 46 GLU H H 1 8.530 0.030 . 1 . . . . 46 E HN . 17141 1 169 . 1 1 46 46 GLU CA C 13 54.200 0.300 . 1 . . . . 46 E CA . 17141 1 170 . 1 1 46 46 GLU CB C 13 32.100 0.300 . 1 . . . . 46 E CB . 17141 1 171 . 1 1 46 46 GLU C C 13 176.000 0.300 . 1 . . . . 46 E C . 17141 1 172 . 1 1 47 47 ILE N N 15 125.200 0.300 . 1 . . . . 47 I N . 17141 1 173 . 1 1 47 47 ILE H H 1 8.970 0.030 . 1 . . . . 47 I HN . 17141 1 174 . 1 1 47 47 ILE CA C 13 58.600 0.300 . 1 . . . . 47 I CA . 17141 1 175 . 1 1 47 47 ILE CB C 13 40.650 0.300 . 1 . . . . 47 I CB . 17141 1 176 . 1 1 47 47 ILE C C 13 176.900 0.300 . 1 . . . . 47 I C . 17141 1 177 . 1 1 48 48 GLY N N 15 119.540 0.300 . 1 . . . . 48 G N . 17141 1 178 . 1 1 48 48 GLY H H 1 9.540 0.030 . 1 . . . . 48 G HN . 17141 1 179 . 1 1 48 48 GLY CA C 13 46.200 0.300 . 1 . . . . 48 G CA . 17141 1 180 . 1 1 48 48 GLY C C 13 175.100 0.300 . 1 . . . . 48 G C . 17141 1 181 . 1 1 49 49 GLY N N 15 104.900 0.300 . 1 . . . . 49 G N . 17141 1 182 . 1 1 49 49 GLY H H 1 8.520 0.030 . 1 . . . . 49 G HN . 17141 1 183 . 1 1 49 49 GLY CA C 13 44.850 0.300 . 1 . . . . 49 G CA . 17141 1 184 . 1 1 49 49 GLY C C 13 173.200 0.300 . 1 . . . . 49 G C . 17141 1 185 . 1 1 50 50 ILE N N 15 122.860 0.300 . 1 . . . . 50 I N . 17141 1 186 . 1 1 50 50 ILE H H 1 7.430 0.030 . 1 . . . . 50 I HN . 17141 1 187 . 1 1 50 50 ILE CA C 13 59.750 0.300 . 1 . . . . 50 I CA . 17141 1 188 . 1 1 50 50 ILE CB C 13 38.750 0.300 . 1 . . . . 50 I CB . 17141 1 189 . 1 1 50 50 ILE C C 13 173.600 0.300 . 1 . . . . 50 I C . 17141 1 190 . 1 1 51 51 LYS N N 15 124.640 0.300 . 1 . . . . 51 K N . 17141 1 191 . 1 1 51 51 LYS H H 1 8.010 0.030 . 1 . . . . 51 K HN . 17141 1 192 . 1 1 51 51 LYS CA C 13 55.500 0.300 . 1 . . . . 51 K CA . 17141 1 193 . 1 1 51 51 LYS CB C 13 34.550 0.300 . 1 . . . . 51 K CB . 17141 1 194 . 1 1 51 51 LYS C C 13 175.700 0.300 . 1 . . . . 51 K C . 17141 1 195 . 1 1 52 52 TYR N N 15 124.200 0.300 . 1 . . . . 52 Y N . 17141 1 196 . 1 1 52 52 TYR H H 1 9.110 0.030 . 1 . . . . 52 Y HN . 17141 1 197 . 1 1 52 52 TYR CA C 13 57.100 0.300 . 1 . . . . 52 Y CA . 17141 1 198 . 1 1 52 52 TYR CB C 13 40.250 0.300 . 1 . . . . 52 Y CB . 17141 1 199 . 1 1 52 52 TYR C C 13 174.900 0.300 . 1 . . . . 52 Y C . 17141 1 200 . 1 1 53 53 THR N N 15 120.030 0.300 . 1 . . . . 53 T N . 17141 1 201 . 1 1 53 53 THR H H 1 8.810 0.030 . 1 . . . . 53 T HN . 17141 1 202 . 1 1 53 53 THR CA C 13 62.300 0.300 . 1 . . . . 53 T CA . 17141 1 203 . 1 1 53 53 THR CB C 13 70.300 0.300 . 1 . . . . 53 T CB . 17141 1 204 . 1 1 53 53 THR C C 13 175.000 0.300 . 1 . . . . 53 T C . 17141 1 205 . 1 1 54 54 GLY N N 15 112.740 0.300 . 1 . . . . 54 G N . 17141 1 206 . 1 1 54 54 GLY H H 1 8.410 0.030 . 1 . . . . 54 G HN . 17141 1 207 . 1 1 54 54 GLY CA C 13 44.000 0.300 . 1 . . . . 54 G CA . 17141 1 208 . 1 1 54 54 GLY C C 13 172.200 0.300 . 1 . . . . 54 G C . 17141 1 209 . 1 1 55 55 ALA N N 15 119.010 0.300 . 1 . . . . 55 A N . 17141 1 210 . 1 1 55 55 ALA H H 1 8.350 0.030 . 1 . . . . 55 A HN . 17141 1 211 . 1 1 55 55 ALA CA C 13 50.950 0.300 . 1 . . . . 55 A CA . 17141 1 212 . 1 1 55 55 ALA CB C 13 20.650 0.300 . 1 . . . . 55 A CB . 17141 1 213 . 1 1 55 55 ALA C C 13 177.300 0.300 . 1 . . . . 55 A C . 17141 1 214 . 1 1 56 56 ALA N N 15 122.550 0.300 . 1 . . . . 56 A N . 17141 1 215 . 1 1 56 56 ALA H H 1 8.130 0.030 . 1 . . . . 56 A HN . 17141 1 216 . 1 1 56 56 ALA CA C 13 51.500 0.300 . 1 . . . . 56 A CA . 17141 1 217 . 1 1 56 56 ALA CB C 13 19.000 0.300 . 1 . . . . 56 A CB . 17141 1 218 . 1 1 56 56 ALA C C 13 179.000 0.300 . 1 . . . . 56 A C . 17141 1 219 . 1 1 57 57 THR N N 15 115.510 0.300 . 1 . . . . 57 T N . 17141 1 220 . 1 1 57 57 THR H H 1 9.270 0.030 . 1 . . . . 57 T HN . 17141 1 221 . 1 1 57 57 THR CA C 13 60.550 0.300 . 1 . . . . 57 T CA . 17141 1 222 . 1 1 57 57 THR CB C 13 35.450 0.300 . 1 . . . . 57 T CB . 17141 1 223 . 1 1 57 57 THR C C 13 174.700 0.300 . 1 . . . . 57 T C . 17141 1 224 . 1 1 58 58 ARG N N 15 119.220 0.300 . 1 . . . . 58 R N . 17141 1 225 . 1 1 58 58 ARG H H 1 8.620 0.030 . 1 . . . . 58 R HN . 17141 1 226 . 1 1 58 58 ARG CA C 13 58.600 0.300 . 1 . . . . 58 R CA . 17141 1 227 . 1 1 58 58 ARG CB C 13 31.200 0.300 . 1 . . . . 58 R CB . 17141 1 228 . 1 1 58 58 ARG C C 13 176.900 0.300 . 1 . . . . 58 R C . 17141 1 229 . 1 1 59 59 THR N N 15 104.160 0.300 . 1 . . . . 59 T N . 17141 1 230 . 1 1 59 59 THR H H 1 7.730 0.030 . 1 . . . . 59 T HN . 17141 1 231 . 1 1 59 59 THR CA C 13 58.950 0.300 . 1 . . . . 59 T CA . 17141 1 232 . 1 1 59 59 THR CB C 13 35.950 0.300 . 1 . . . . 59 T CB . 17141 1 233 . 1 1 59 59 THR C C 13 174.500 0.300 . 1 . . . . 59 T C . 17141 1 234 . 1 1 60 60 LYS N N 15 126.240 0.300 . 1 . . . . 60 K N . 17141 1 235 . 1 1 60 60 LYS H H 1 8.240 0.030 . 1 . . . . 60 K HN . 17141 1 236 . 1 1 60 60 LYS CA C 13 60.000 0.300 . 1 . . . . 60 K CA . 17141 1 237 . 1 1 60 60 LYS CB C 13 31.750 0.300 . 1 . . . . 60 K CB . 17141 1 238 . 1 1 60 60 LYS C C 13 177.800 0.300 . 1 . . . . 60 K C . 17141 1 239 . 1 1 61 61 LYS N N 15 118.170 0.300 . 1 . . . . 61 K N . 17141 1 240 . 1 1 61 61 LYS H H 1 8.250 0.030 . 1 . . . . 61 K HN . 17141 1 241 . 1 1 61 61 LYS CA C 13 59.200 0.300 . 1 . . . . 61 K CA . 17141 1 242 . 1 1 61 61 LYS CB C 13 32.150 0.300 . 1 . . . . 61 K CB . 17141 1 243 . 1 1 61 61 LYS C C 13 179.250 0.300 . 1 . . . . 61 K C . 17141 1 244 . 1 1 62 62 ASP N N 15 116.780 0.300 . 1 . . . . 62 D N . 17141 1 245 . 1 1 62 62 ASP H H 1 7.500 0.030 . 1 . . . . 62 D HN . 17141 1 246 . 1 1 62 62 ASP CA C 13 57.000 0.300 . 1 . . . . 62 D CA . 17141 1 247 . 1 1 62 62 ASP CB C 13 39.950 0.300 . 1 . . . . 62 D CB . 17141 1 248 . 1 1 62 62 ASP C C 13 178.600 0.300 . 1 . . . . 62 D C . 17141 1 249 . 1 1 63 63 ALA N N 15 129.210 0.300 . 1 . . . . 63 A N . 17141 1 250 . 1 1 63 63 ALA H H 1 7.860 0.030 . 1 . . . . 63 A HN . 17141 1 251 . 1 1 63 63 ALA CA C 13 55.650 0.300 . 1 . . . . 63 A CA . 17141 1 252 . 1 1 63 63 ALA CB C 13 19.900 0.300 . 1 . . . . 63 A CB . 17141 1 253 . 1 1 63 63 ALA C C 13 181.700 0.300 . 1 . . . . 63 A C . 17141 1 254 . 1 1 64 64 GLU N N 15 124.190 0.300 . 1 . . . . 64 E N . 17141 1 255 . 1 1 64 64 GLU H H 1 8.560 0.030 . 1 . . . . 64 E HN . 17141 1 256 . 1 1 64 64 GLU CA C 13 60.250 0.300 . 1 . . . . 64 E CA . 17141 1 257 . 1 1 64 64 GLU CB C 13 30.500 0.300 . 1 . . . . 64 E CB . 17141 1 258 . 1 1 64 64 GLU C C 13 179.300 0.300 . 1 . . . . 64 E C . 17141 1 259 . 1 1 65 65 ILE N N 15 120.500 0.300 . 1 . . . . 65 I N . 17141 1 260 . 1 1 65 65 ILE H H 1 7.760 0.030 . 1 . . . . 65 I HN . 17141 1 261 . 1 1 65 65 ILE CA C 13 65.200 0.300 . 1 . . . . 65 I CA . 17141 1 262 . 1 1 65 65 ILE C C 13 177.600 0.300 . 1 . . . . 65 I C . 17141 1 263 . 1 1 66 66 SER N N 15 112.650 0.300 . 1 . . . . 66 S N . 17141 1 264 . 1 1 66 66 SER H H 1 8.120 0.030 . 1 . . . . 66 S HN . 17141 1 265 . 1 1 66 66 SER CA C 13 61.500 0.300 . 1 . . . . 66 S CA . 17141 1 266 . 1 1 66 66 SER CB C 13 31.400 0.300 . 1 . . . . 66 S CB . 17141 1 267 . 1 1 66 66 SER C C 13 178.600 0.300 . 1 . . . . 66 S C . 17141 1 268 . 1 1 67 67 ALA N N 15 123.210 0.300 . 1 . . . . 67 A N . 17141 1 269 . 1 1 67 67 ALA H H 1 8.000 0.030 . 1 . . . . 67 A HN . 17141 1 270 . 1 1 67 67 ALA CA C 13 56.100 0.300 . 1 . . . . 67 A CA . 17141 1 271 . 1 1 67 67 ALA CB C 13 17.900 0.300 . 1 . . . . 67 A CB . 17141 1 272 . 1 1 67 67 ALA C C 13 178.400 0.300 . 1 . . . . 67 A C . 17141 1 273 . 1 1 68 68 GLY N N 15 104.750 0.300 . 1 . . . . 68 G N . 17141 1 274 . 1 1 68 68 GLY H H 1 8.470 0.030 . 1 . . . . 68 G HN . 17141 1 275 . 1 1 68 68 GLY CA C 13 47.700 0.300 . 1 . . . . 68 G CA . 17141 1 276 . 1 1 68 68 GLY C C 13 175.200 0.300 . 1 . . . . 68 G C . 17141 1 277 . 1 1 69 69 ARG N N 15 121.830 0.300 . 1 . . . . 69 R N . 17141 1 278 . 1 1 69 69 ARG H H 1 8.930 0.030 . 1 . . . . 69 R HN . 17141 1 279 . 1 1 69 69 ARG CA C 13 59.700 0.300 . 1 . . . . 69 R CA . 17141 1 280 . 1 1 69 69 ARG CB C 13 30.250 0.300 . 1 . . . . 69 R CB . 17141 1 281 . 1 1 69 69 ARG C C 13 178.500 0.300 . 1 . . . . 69 R C . 17141 1 282 . 1 1 70 70 THR N N 15 116.930 0.300 . 1 . . . . 70 T N . 17141 1 283 . 1 1 70 70 THR H H 1 7.980 0.030 . 1 . . . . 70 T HN . 17141 1 284 . 1 1 70 70 THR CA C 13 67.200 0.300 . 1 . . . . 70 T CA . 17141 1 285 . 1 1 70 70 THR CB C 13 68.500 0.300 . 1 . . . . 70 T CB . 17141 1 286 . 1 1 70 70 THR C C 13 176.400 0.300 . 1 . . . . 70 T C . 17141 1 287 . 1 1 71 71 ALA N N 15 124.020 0.300 . 1 . . . . 71 A N . 17141 1 288 . 1 1 71 71 ALA H H 1 7.750 0.030 . 1 . . . . 71 A HN . 17141 1 289 . 1 1 71 71 ALA CA C 13 54.700 0.300 . 1 . . . . 71 A CA . 17141 1 290 . 1 1 71 71 ALA CB C 13 19.550 0.300 . 1 . . . . 71 A CB . 17141 1 291 . 1 1 71 71 ALA C C 13 178.200 0.300 . 1 . . . . 71 A C . 17141 1 292 . 1 1 72 72 LEU N N 15 117.070 0.300 . 1 . . . . 72 L N . 17141 1 293 . 1 1 72 72 LEU H H 1 8.230 0.030 . 1 . . . . 72 L HN . 17141 1 294 . 1 1 72 72 LEU CA C 13 57.800 0.300 . 1 . . . . 72 L CA . 17141 1 295 . 1 1 72 72 LEU CB C 13 42.150 0.300 . 1 . . . . 72 L CB . 17141 1 296 . 1 1 72 72 LEU C C 13 178.900 0.300 . 1 . . . . 72 L C . 17141 1 297 . 1 1 73 73 LEU N N 15 117.270 0.300 . 1 . . . . 73 L N . 17141 1 298 . 1 1 73 73 LEU H H 1 7.830 0.030 . 1 . . . . 73 L HN . 17141 1 299 . 1 1 73 73 LEU CA C 13 57.300 0.300 . 1 . . . . 73 L CA . 17141 1 300 . 1 1 73 73 LEU CB C 13 42.000 0.300 . 1 . . . . 73 L CB . 17141 1 301 . 1 1 73 73 LEU C C 13 179.150 0.300 . 1 . . . . 73 L C . 17141 1 302 . 1 1 74 74 ALA N N 15 120.650 0.300 . 1 . . . . 74 A N . 17141 1 303 . 1 1 74 74 ALA H H 1 7.320 0.030 . 1 . . . . 74 A HN . 17141 1 304 . 1 1 74 74 ALA CA C 13 54.400 0.300 . 1 . . . . 74 A CA . 17141 1 305 . 1 1 74 74 ALA CB C 13 19.950 0.300 . 1 . . . . 74 A CB . 17141 1 306 . 1 1 74 74 ALA C C 13 180.200 0.300 . 1 . . . . 74 A C . 17141 1 307 . 1 1 75 75 ILE N N 15 115.990 0.300 . 1 . . . . 75 I N . 17141 1 308 . 1 1 75 75 ILE H H 1 7.870 0.030 . 1 . . . . 75 I HN . 17141 1 309 . 1 1 75 75 ILE CA C 13 63.200 0.300 . 1 . . . . 75 I CA . 17141 1 310 . 1 1 75 75 ILE CB C 13 38.950 0.300 . 1 . . . . 75 I CB . 17141 1 311 . 1 1 75 75 ILE C C 13 177.100 0.300 . 1 . . . . 75 I C . 17141 1 312 . 1 1 76 76 GLN N N 15 119.750 0.300 . 1 . . . . 76 Q N . 17141 1 313 . 1 1 76 76 GLN H H 1 7.780 0.030 . 1 . . . . 76 Q HN . 17141 1 314 . 1 1 76 76 GLN CA C 13 56.200 0.300 . 1 . . . . 76 Q CA . 17141 1 315 . 1 1 76 76 GLN CB C 13 29.300 0.300 . 1 . . . . 76 Q CB . 17141 1 316 . 1 1 76 76 GLN C C 13 175.250 0.300 . 1 . . . . 76 Q C . 17141 1 317 . 1 1 77 77 SER N N 15 122.020 0.300 . 1 . . . . 77 S N . 17141 1 318 . 1 1 77 77 SER H H 1 7.630 0.030 . 1 . . . . 77 S HN . 17141 1 319 . 1 1 77 77 SER CA C 13 60.500 0.300 . 1 . . . . 77 S CA . 17141 1 320 . 1 1 77 77 SER CB C 13 64.900 0.300 . 1 . . . . 77 S CB . 17141 1 321 . 1 1 77 77 SER C C 13 178.600 0.300 . 1 . . . . 77 S C . 17141 1 stop_ save_