################################### # 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 25620 _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' . . . 25620 1 2 '3D HNCACB' . . . 25620 1 3 '3D HN(CO)CACB' . . . 25620 1 4 '3D HNCA' . . . 25620 1 5 '3D HN(CO)CA' . . . 25620 1 6 '3D HN(CA)CO' . . . 25620 1 7 '3D HNCO' . . . 25620 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 15 15 THR C C 13 173.200 . . 1 . . . . 15 T C . 25620 1 2 . 1 1 15 15 THR CA C 13 62.870 . . 1 . . . . 15 T CA . 25620 1 3 . 1 1 15 15 THR CB C 13 70.340 . . 1 . . . . 15 T CB . 25620 1 4 . 1 1 16 16 ALA H H 1 8.085 . . 1 . . . . 16 A HN . 25620 1 5 . 1 1 16 16 ALA C C 13 176.400 . . 1 . . . . 16 A C . 25620 1 6 . 1 1 16 16 ALA CA C 13 51.340 . . 1 . . . . 16 A CA . 25620 1 7 . 1 1 16 16 ALA CB C 13 20.840 . . 1 . . . . 16 A CB . 25620 1 8 . 1 1 16 16 ALA N N 15 127.900 . . 1 . . . . 16 A N . 25620 1 9 . 1 1 17 17 VAL H H 1 8.723 . . 1 . . . . 17 V HN . 25620 1 10 . 1 1 17 17 VAL C C 13 174.200 . . 1 . . . . 17 V C . 25620 1 11 . 1 1 17 17 VAL CA C 13 61.680 . . 1 . . . . 17 V CA . 25620 1 12 . 1 1 17 17 VAL CB C 13 33.880 . . 1 . . . . 17 V CB . 25620 1 13 . 1 1 17 17 VAL N N 15 121.500 . . 1 . . . . 17 V N . 25620 1 14 . 1 1 18 18 LEU H H 1 9.007 . . 1 . . . . 18 L HN . 25620 1 15 . 1 1 18 18 LEU C C 13 173.300 . . 1 . . . . 18 L C . 25620 1 16 . 1 1 18 18 LEU CA C 13 53.390 . . 1 . . . . 18 L CA . 25620 1 17 . 1 1 18 18 LEU CB C 13 43.100 . . 1 . . . . 18 L CB . 25620 1 18 . 1 1 18 18 LEU N N 15 130.500 . . 1 . . . . 18 L N . 25620 1 19 . 1 1 19 19 LYS H H 1 8.920 . . 1 . . . . 19 K HN . 25620 1 20 . 1 1 19 19 LYS C C 13 174.500 . . 1 . . . . 19 K C . 25620 1 21 . 1 1 19 19 LYS CA C 13 54.660 . . 1 . . . . 19 K CA . 25620 1 22 . 1 1 19 19 LYS CB C 13 34.570 . . 1 . . . . 19 K CB . 25620 1 23 . 1 1 19 19 LYS N N 15 126.300 . . 1 . . . . 19 K N . 25620 1 24 . 1 1 20 20 LEU H H 1 8.685 . . 1 . . . . 20 L HN . 25620 1 25 . 1 1 20 20 LEU C C 13 174.200 . . 1 . . . . 20 L C . 25620 1 26 . 1 1 20 20 LEU CA C 13 53.730 . . 1 . . . . 20 L CA . 25620 1 27 . 1 1 20 20 LEU CB C 13 43.290 . . 1 . . . . 20 L CB . 25620 1 28 . 1 1 20 20 LEU N N 15 123.400 . . 1 . . . . 20 L N . 25620 1 29 . 1 1 21 21 TYR H H 1 8.684 . . 1 . . . . 21 Y HN . 25620 1 30 . 1 1 21 21 TYR C C 13 175.400 . . 1 . . . . 21 Y C . 25620 1 31 . 1 1 21 21 TYR CA C 13 56.620 . . 1 . . . . 21 Y CA . 25620 1 32 . 1 1 21 21 TYR CB C 13 37.260 . . 1 . . . . 21 Y CB . 25620 1 33 . 1 1 21 21 TYR N N 15 122.500 . . 1 . . . . 21 Y N . 25620 1 34 . 1 1 22 22 VAL H H 1 9.244 . . 1 . . . . 22 V HN . 25620 1 35 . 1 1 22 22 VAL C C 13 174.500 . . 1 . . . . 22 V C . 25620 1 36 . 1 1 22 22 VAL CA C 13 58.600 . . 1 . . . . 22 V CA . 25620 1 37 . 1 1 22 22 VAL CB C 13 34.920 . . 1 . . . . 22 V CB . 25620 1 38 . 1 1 22 22 VAL N N 15 119.000 . . 1 . . . . 22 V N . 25620 1 39 . 1 1 23 23 ALA H H 1 9.354 . . 1 . . . . 23 A HN . 25620 1 40 . 1 1 23 23 ALA C C 13 175.600 . . 1 . . . . 23 A C . 25620 1 41 . 1 1 23 23 ALA CA C 13 50.120 . . 1 . . . . 23 A CA . 25620 1 42 . 1 1 23 23 ALA CB C 13 18.230 . . 1 . . . . 23 A CB . 25620 1 43 . 1 1 23 23 ALA N N 15 128.600 . . 1 . . . . 23 A N . 25620 1 44 . 1 1 24 24 GLY H H 1 8.054 . . 1 . . . . 24 G HN . 25620 1 45 . 1 1 24 24 GLY C C 13 171.500 . . 1 . . . . 24 G C . 25620 1 46 . 1 1 24 24 GLY CA C 13 44.780 . . 1 . . . . 24 G CA . 25620 1 47 . 1 1 24 24 GLY N N 15 110.700 . . 1 . . . . 24 G N . 25620 1 48 . 1 1 25 25 ASN H H 1 8.041 . . 1 . . . . 25 N HN . 25620 1 49 . 1 1 25 25 ASN C C 13 174.000 . . 1 . . . . 25 N C . 25620 1 50 . 1 1 25 25 ASN CA C 13 52.520 . . 1 . . . . 25 N CA . 25620 1 51 . 1 1 25 25 ASN CB C 13 42.570 . . 1 . . . . 25 N CB . 25620 1 52 . 1 1 25 25 ASN N N 15 112.900 . . 1 . . . . 25 N N . 25620 1 53 . 1 1 26 26 THR H H 1 9.100 . . 1 . . . . 26 T HN . 25620 1 54 . 1 1 26 26 THR CA C 13 58.740 . . 1 . . . . 26 T CA . 25620 1 55 . 1 1 26 26 THR CB C 13 69.740 . . 1 . . . . 26 T CB . 25620 1 56 . 1 1 26 26 THR N N 15 113.700 . . 1 . . . . 26 T N . 25620 1 57 . 1 1 27 27 PRO C C 13 179.900 . . 1 . . . . 27 P C . 25620 1 58 . 1 1 27 27 PRO CA C 13 66.280 . . 1 . . . . 27 P CA . 25620 1 59 . 1 1 27 27 PRO CB C 13 31.650 . . 1 . . . . 27 P CB . 25620 1 60 . 1 1 28 28 ASN H H 1 8.544 . . 1 . . . . 28 N HN . 25620 1 61 . 1 1 28 28 ASN C C 13 178.800 . . 1 . . . . 28 N C . 25620 1 62 . 1 1 28 28 ASN CA C 13 55.160 . . 1 . . . . 28 N CA . 25620 1 63 . 1 1 28 28 ASN CB C 13 37.730 . . 1 . . . . 28 N CB . 25620 1 64 . 1 1 28 28 ASN N N 15 113.000 . . 1 . . . . 28 N N . 25620 1 65 . 1 1 29 29 SER H H 1 8.979 . . 1 . . . . 29 S HN . 25620 1 66 . 1 1 29 29 SER C C 13 175.900 . . 1 . . . . 29 S C . 25620 1 67 . 1 1 29 29 SER CA C 13 62.690 . . 1 . . . . 29 S CA . 25620 1 68 . 1 1 29 29 SER N N 15 123.400 . . 1 . . . . 29 S N . 25620 1 69 . 1 1 30 30 VAL H H 1 8.395 . . 1 . . . . 30 V HN . 25620 1 70 . 1 1 30 30 VAL C C 13 179.400 . . 1 . . . . 30 V C . 25620 1 71 . 1 1 30 30 VAL CA C 13 66.920 . . 1 . . . . 30 V CA . 25620 1 72 . 1 1 30 30 VAL CB C 13 31.690 . . 1 . . . . 30 V CB . 25620 1 73 . 1 1 30 30 VAL N N 15 124.700 . . 1 . . . . 30 V N . 25620 1 74 . 1 1 31 31 ARG H H 1 7.337 . . 1 . . . . 31 R HN . 25620 1 75 . 1 1 31 31 ARG C C 13 178.900 . . 1 . . . . 31 R C . 25620 1 76 . 1 1 31 31 ARG CA C 13 59.650 . . 1 . . . . 31 R CA . 25620 1 77 . 1 1 31 31 ARG CB C 13 30.340 . . 1 . . . . 31 R CB . 25620 1 78 . 1 1 31 31 ARG N N 15 119.400 . . 1 . . . . 31 R N . 25620 1 79 . 1 1 32 32 ALA C C 13 179.800 . . 1 . . . . 32 A C . 25620 1 80 . 1 1 32 32 ALA CA C 13 55.200 . . 1 . . . . 32 A CA . 25620 1 81 . 1 1 32 32 ALA CB C 13 18.420 . . 1 . . . . 32 A CB . 25620 1 82 . 1 1 33 33 LEU H H 1 8.493 . . 1 . . . . 33 L HN . 25620 1 83 . 1 1 33 33 LEU C C 13 179.800 . . 1 . . . . 33 L C . 25620 1 84 . 1 1 33 33 LEU CA C 13 58.060 . . 1 . . . . 33 L CA . 25620 1 85 . 1 1 33 33 LEU CB C 13 41.700 . . 1 . . . . 33 L CB . 25620 1 86 . 1 1 33 33 LEU N N 15 118.400 . . 1 . . . . 33 L N . 25620 1 87 . 1 1 34 34 LYS H H 1 7.854 . . 1 . . . . 34 K HN . 25620 1 88 . 1 1 34 34 LYS C C 13 179.400 . . 1 . . . . 34 K C . 25620 1 89 . 1 1 34 34 LYS CA C 13 59.930 . . 1 . . . . 34 K CA . 25620 1 90 . 1 1 34 34 LYS CB C 13 31.870 . . 1 . . . . 34 K CB . 25620 1 91 . 1 1 34 34 LYS N N 15 122.000 . . 1 . . . . 34 K N . 25620 1 92 . 1 1 35 35 THR H H 1 8.321 . . 1 . . . . 35 T HN . 25620 1 93 . 1 1 35 35 THR C C 13 176.300 . . 1 . . . . 35 T C . 25620 1 94 . 1 1 35 35 THR CA C 13 66.950 . . 1 . . . . 35 T CA . 25620 1 95 . 1 1 35 35 THR CB C 13 68.420 . . 1 . . . . 35 T CB . 25620 1 96 . 1 1 35 35 THR N N 15 118.600 . . 1 . . . . 35 T N . 25620 1 97 . 1 1 36 36 LEU H H 1 8.872 . . 1 . . . . 36 L HN . 25620 1 98 . 1 1 36 36 LEU C C 13 177.500 . . 1 . . . . 36 L C . 25620 1 99 . 1 1 36 36 LEU CA C 13 58.240 . . 1 . . . . 36 L CA . 25620 1 100 . 1 1 36 36 LEU CB C 13 41.380 . . 1 . . . . 36 L CB . 25620 1 101 . 1 1 36 36 LEU N N 15 122.100 . . 1 . . . . 36 L N . 25620 1 102 . 1 1 37 37 ASN H H 1 8.249 . . 1 . . . . 37 N HN . 25620 1 103 . 1 1 37 37 ASN C C 13 177.000 . . 1 . . . . 37 N C . 25620 1 104 . 1 1 37 37 ASN CA C 13 57.620 . . 1 . . . . 37 N CA . 25620 1 105 . 1 1 37 37 ASN CB C 13 39.460 . . 1 . . . . 37 N CB . 25620 1 106 . 1 1 37 37 ASN N N 15 117.000 . . 1 . . . . 37 N N . 25620 1 107 . 1 1 38 38 ASN H H 1 8.054 . . 1 . . . . 38 N HN . 25620 1 108 . 1 1 38 38 ASN C C 13 177.800 . . 1 . . . . 38 N C . 25620 1 109 . 1 1 38 38 ASN CA C 13 56.620 . . 1 . . . . 38 N CA . 25620 1 110 . 1 1 38 38 ASN CB C 13 38.450 . . 1 . . . . 38 N CB . 25620 1 111 . 1 1 38 38 ASN N N 15 117.000 . . 1 . . . . 38 N N . 25620 1 112 . 1 1 41 41 GLU CA C 13 59.030 . . 1 . . . . 41 E CA . 25620 1 113 . 1 1 41 41 GLU CB C 13 30.290 . . 1 . . . . 41 E CB . 25620 1 114 . 1 1 42 42 LYS H H 1 8.089 . . 1 . . . . 42 K HN . 25620 1 115 . 1 1 42 42 LYS C C 13 178.500 . . 1 . . . . 42 K C . 25620 1 116 . 1 1 42 42 LYS CA C 13 58.140 . . 1 . . . . 42 K CA . 25620 1 117 . 1 1 42 42 LYS CB C 13 33.550 . . 1 . . . . 42 K CB . 25620 1 118 . 1 1 42 42 LYS N N 15 116.000 . . 1 . . . . 42 K N . 25620 1 119 . 1 1 43 43 GLU H H 1 8.577 . . 1 . . . . 43 E HN . 25620 1 120 . 1 1 43 43 GLU C C 13 177.000 . . 1 . . . . 43 E C . 25620 1 121 . 1 1 43 43 GLU CA C 13 57.520 . . 1 . . . . 43 E CA . 25620 1 122 . 1 1 43 43 GLU CB C 13 31.060 . . 1 . . . . 43 E CB . 25620 1 123 . 1 1 43 43 GLU N N 15 117.100 . . 1 . . . . 43 E N . 25620 1 124 . 1 1 44 44 PHE H H 1 7.628 . . 1 . . . . 44 F HN . 25620 1 125 . 1 1 44 44 PHE C C 13 175.600 . . 1 . . . . 44 F C . 25620 1 126 . 1 1 44 44 PHE CA C 13 56.870 . . 1 . . . . 44 F CA . 25620 1 127 . 1 1 44 44 PHE CB C 13 40.050 . . 1 . . . . 44 F CB . 25620 1 128 . 1 1 44 44 PHE N N 15 116.000 . . 1 . . . . 44 F N . 25620 1 129 . 1 1 45 45 LYS H H 1 7.726 . . 1 . . . . 45 K HN . 25620 1 130 . 1 1 45 45 LYS C C 13 178.400 . . 1 . . . . 45 K C . 25620 1 131 . 1 1 45 45 LYS CA C 13 58.740 . . 1 . . . . 45 K CA . 25620 1 132 . 1 1 45 45 LYS CB C 13 31.230 . . 1 . . . . 45 K CB . 25620 1 133 . 1 1 45 45 LYS N N 15 121.700 . . 1 . . . . 45 K N . 25620 1 134 . 1 1 46 46 GLY H H 1 9.199 . . 1 . . . . 46 G HN . 25620 1 135 . 1 1 46 46 GLY C C 13 174.300 . . 1 . . . . 46 G C . 25620 1 136 . 1 1 46 46 GLY CA C 13 45.790 . . 1 . . . . 46 G CA . 25620 1 137 . 1 1 46 46 GLY N N 15 113.500 . . 1 . . . . 46 G N . 25620 1 138 . 1 1 47 47 VAL C C 13 175.900 . . 1 . . . . 47 V C . 25620 1 139 . 1 1 47 47 VAL CA C 13 65.160 . . 1 . . . . 47 V CA . 25620 1 140 . 1 1 47 47 VAL CB C 13 32.890 . . 1 . . . . 47 V CB . 25620 1 141 . 1 1 48 48 TYR H H 1 7.901 . . 1 . . . . 48 Y HN . 25620 1 142 . 1 1 48 48 TYR C C 13 174.900 . . 1 . . . . 48 Y C . 25620 1 143 . 1 1 48 48 TYR CA C 13 56.000 . . 1 . . . . 48 Y CA . 25620 1 144 . 1 1 48 48 TYR CB C 13 43.240 . . 1 . . . . 48 Y CB . 25620 1 145 . 1 1 48 48 TYR N N 15 114.800 . . 1 . . . . 48 Y N . 25620 1 146 . 1 1 49 49 ALA H H 1 8.639 . . 1 . . . . 49 A HN . 25620 1 147 . 1 1 49 49 ALA C C 13 175.200 . . 1 . . . . 49 A C . 25620 1 148 . 1 1 49 49 ALA CA C 13 50.760 . . 1 . . . . 49 A CA . 25620 1 149 . 1 1 49 49 ALA CB C 13 21.400 . . 1 . . . . 49 A CB . 25620 1 150 . 1 1 49 49 ALA N N 15 124.400 . . 1 . . . . 49 A N . 25620 1 151 . 1 1 50 50 LEU H H 1 8.779 . . 1 . . . . 50 L HN . 25620 1 152 . 1 1 50 50 LEU C C 13 176.300 . . 1 . . . . 50 L C . 25620 1 153 . 1 1 50 50 LEU CA C 13 54.450 . . 1 . . . . 50 L CA . 25620 1 154 . 1 1 50 50 LEU CB C 13 44.720 . . 1 . . . . 50 L CB . 25620 1 155 . 1 1 50 50 LEU N N 15 123.400 . . 1 . . . . 50 L N . 25620 1 156 . 1 1 51 51 LYS H H 1 8.954 . . 1 . . . . 51 K HN . 25620 1 157 . 1 1 51 51 LYS C C 13 173.500 . . 1 . . . . 51 K C . 25620 1 158 . 1 1 51 51 LYS CA C 13 55.090 . . 1 . . . . 51 K CA . 25620 1 159 . 1 1 51 51 LYS CB C 13 35.660 . . 1 . . . . 51 K CB . 25620 1 160 . 1 1 51 51 LYS N N 15 127.800 . . 1 . . . . 51 K N . 25620 1 161 . 1 1 52 52 VAL H H 1 8.655 . . 1 . . . . 52 V HN . 25620 1 162 . 1 1 52 52 VAL C C 13 175.300 . . 1 . . . . 52 V C . 25620 1 163 . 1 1 52 52 VAL CA C 13 62.110 . . 1 . . . . 52 V CA . 25620 1 164 . 1 1 52 52 VAL CB C 13 33.120 . . 1 . . . . 52 V CB . 25620 1 165 . 1 1 52 52 VAL N N 15 125.400 . . 1 . . . . 52 V N . 25620 1 166 . 1 1 53 53 ILE H H 1 9.291 . . 1 . . . . 53 I HN . 25620 1 167 . 1 1 53 53 ILE C C 13 173.900 . . 1 . . . . 53 I C . 25620 1 168 . 1 1 53 53 ILE CA C 13 59.800 . . 1 . . . . 53 I CA . 25620 1 169 . 1 1 53 53 ILE CB C 13 39.400 . . 1 . . . . 53 I CB . 25620 1 170 . 1 1 53 53 ILE N N 15 131.100 . . 1 . . . . 53 I N . 25620 1 171 . 1 1 54 54 ASP H H 1 8.698 . . 1 . . . . 54 D HN . 25620 1 172 . 1 1 54 54 ASP C C 13 178.300 . . 1 . . . . 54 D C . 25620 1 173 . 1 1 54 54 ASP CA C 13 52.800 . . 1 . . . . 54 D CA . 25620 1 174 . 1 1 54 54 ASP CB C 13 41.080 . . 1 . . . . 54 D CB . 25620 1 175 . 1 1 54 54 ASP N N 15 127.100 . . 1 . . . . 54 D N . 25620 1 176 . 1 1 55 55 VAL H H 1 9.185 . . 1 . . . . 55 V HN . 25620 1 177 . 1 1 55 55 VAL C C 13 177.000 . . 1 . . . . 55 V C . 25620 1 178 . 1 1 55 55 VAL CA C 13 61.870 . . 1 . . . . 55 V CA . 25620 1 179 . 1 1 55 55 VAL CB C 13 31.150 . . 1 . . . . 55 V CB . 25620 1 180 . 1 1 55 55 VAL N N 15 121.000 . . 1 . . . . 55 V N . 25620 1 181 . 1 1 56 56 LEU H H 1 8.749 . . 1 . . . . 56 L HN . 25620 1 182 . 1 1 56 56 LEU C C 13 179.100 . . 1 . . . . 56 L C . 25620 1 183 . 1 1 56 56 LEU CA C 13 57.350 . . 1 . . . . 56 L CA . 25620 1 184 . 1 1 56 56 LEU CB C 13 41.280 . . 1 . . . . 56 L CB . 25620 1 185 . 1 1 56 56 LEU N N 15 122.400 . . 1 . . . . 56 L N . 25620 1 186 . 1 1 57 57 LYS H H 1 7.648 . . 1 . . . . 57 K HN . 25620 1 187 . 1 1 57 57 LYS C C 13 176.600 . . 1 . . . . 57 K C . 25620 1 188 . 1 1 57 57 LYS CA C 13 57.000 . . 1 . . . . 57 K CA . 25620 1 189 . 1 1 57 57 LYS CB C 13 33.240 . . 1 . . . . 57 K CB . 25620 1 190 . 1 1 57 57 LYS N N 15 117.200 . . 1 . . . . 57 K N . 25620 1 191 . 1 1 58 58 ASN H H 1 7.602 . . 1 . . . . 58 N HN . 25620 1 192 . 1 1 58 58 ASN CA C 13 51.180 . . 1 . . . . 58 N CA . 25620 1 193 . 1 1 58 58 ASN CB C 13 39.720 . . 1 . . . . 58 N CB . 25620 1 194 . 1 1 58 58 ASN N N 15 114.700 . . 1 . . . . 58 N N . 25620 1 195 . 1 1 59 59 PRO C C 13 178.400 . . 1 . . . . 59 P C . 25620 1 196 . 1 1 59 59 PRO CA C 13 64.920 . . 1 . . . . 59 P CA . 25620 1 197 . 1 1 59 59 PRO CB C 13 31.690 . . 1 . . . . 59 P CB . 25620 1 198 . 1 1 60 60 GLN H H 1 8.656 . . 1 . . . . 60 Q HN . 25620 1 199 . 1 1 60 60 GLN C C 13 176.400 . . 1 . . . . 60 Q C . 25620 1 200 . 1 1 60 60 GLN CA C 13 56.860 . . 1 . . . . 60 Q CA . 25620 1 201 . 1 1 60 60 GLN CB C 13 27.700 . . 1 . . . . 60 Q CB . 25620 1 202 . 1 1 60 60 GLN N N 15 117.800 . . 1 . . . . 60 Q N . 25620 1 203 . 1 1 61 61 LEU H H 1 7.794 . . 1 . . . . 61 L HN . 25620 1 204 . 1 1 61 61 LEU C C 13 177.100 . . 1 . . . . 61 L C . 25620 1 205 . 1 1 61 61 LEU CA C 13 55.380 . . 1 . . . . 61 L CA . 25620 1 206 . 1 1 61 61 LEU CB C 13 42.120 . . 1 . . . . 61 L CB . 25620 1 207 . 1 1 61 61 LEU N N 15 119.100 . . 1 . . . . 61 L N . 25620 1 208 . 1 1 62 62 ALA H H 1 7.501 . . 1 . . . . 62 A HN . 25620 1 209 . 1 1 62 62 ALA C C 13 175.600 . . 1 . . . . 62 A C . 25620 1 210 . 1 1 62 62 ALA CA C 13 51.330 . . 1 . . . . 62 A CA . 25620 1 211 . 1 1 62 62 ALA CB C 13 18.070 . . 1 . . . . 62 A CB . 25620 1 212 . 1 1 62 62 ALA N N 15 122.000 . . 1 . . . . 62 A N . 25620 1 213 . 1 1 63 63 GLU H H 1 7.768 . . 1 . . . . 63 E HN . 25620 1 214 . 1 1 63 63 GLU C C 13 177.100 . . 1 . . . . 63 E C . 25620 1 215 . 1 1 63 63 GLU CA C 13 56.380 . . 1 . . . . 63 E CA . 25620 1 216 . 1 1 63 63 GLU CB C 13 30.990 . . 1 . . . . 63 E CB . 25620 1 217 . 1 1 63 63 GLU N N 15 121.500 . . 1 . . . . 63 E N . 25620 1 218 . 1 1 64 64 GLU H H 1 8.846 . . 1 . . . . 64 E HN . 25620 1 219 . 1 1 64 64 GLU C C 13 177.600 . . 1 . . . . 64 E C . 25620 1 220 . 1 1 64 64 GLU CA C 13 59.680 . . 1 . . . . 64 E CA . 25620 1 221 . 1 1 64 64 GLU CB C 13 29.720 . . 1 . . . . 64 E CB . 25620 1 222 . 1 1 64 64 GLU N N 15 123.600 . . 1 . . . . 64 E N . 25620 1 223 . 1 1 65 65 ASP H H 1 8.810 . . 1 . . . . 65 D HN . 25620 1 224 . 1 1 65 65 ASP CA C 13 56.710 . . 1 . . . . 65 D CA . 25620 1 225 . 1 1 65 65 ASP CB C 13 39.730 . . 1 . . . . 65 D CB . 25620 1 226 . 1 1 65 65 ASP N N 15 117.100 . . 1 . . . . 65 D N . 25620 1 227 . 1 1 66 66 LYS H H 1 7.450 . . 1 . . . . 66 K HN . 25620 1 228 . 1 1 66 66 LYS CA C 13 57.310 . . 1 . . . . 66 K CA . 25620 1 229 . 1 1 66 66 LYS CB C 13 31.980 . . 1 . . . . 66 K CB . 25620 1 230 . 1 1 66 66 LYS N N 15 118.900 . . 1 . . . . 66 K N . 25620 1 231 . 1 1 71 71 PRO C C 13 178.800 . . 1 . . . . 71 P C . 25620 1 232 . 1 1 71 71 PRO CA C 13 65.580 . . 1 . . . . 71 P CA . 25620 1 233 . 1 1 71 71 PRO CB C 13 31.230 . . 1 . . . . 71 P CB . 25620 1 234 . 1 1 72 72 THR H H 1 7.485 . . 1 . . . . 72 T HN . 25620 1 235 . 1 1 72 72 THR CA C 13 65.470 . . 1 . . . . 72 T CA . 25620 1 236 . 1 1 72 72 THR CB C 13 68.810 . . 1 . . . . 72 T CB . 25620 1 237 . 1 1 72 72 THR N N 15 113.000 . . 1 . . . . 72 T N . 25620 1 238 . 1 1 73 73 LEU C C 13 178.400 . . 1 . . . . 73 L C . 25620 1 239 . 1 1 73 73 LEU CA C 13 57.000 . . 1 . . . . 73 L CA . 25620 1 240 . 1 1 74 74 ALA H H 1 8.321 . . 1 . . . . 74 A HN . 25620 1 241 . 1 1 74 74 ALA C C 13 178.500 . . 1 . . . . 74 A C . 25620 1 242 . 1 1 74 74 ALA CA C 13 54.610 . . 1 . . . . 74 A CA . 25620 1 243 . 1 1 74 74 ALA CB C 13 17.930 . . 1 . . . . 74 A CB . 25620 1 244 . 1 1 74 74 ALA N N 15 118.200 . . 1 . . . . 74 A N . 25620 1 245 . 1 1 75 75 LYS H H 1 7.053 . . 1 . . . . 75 K HN . 25620 1 246 . 1 1 75 75 LYS C C 13 177.600 . . 1 . . . . 75 K C . 25620 1 247 . 1 1 75 75 LYS CA C 13 58.420 . . 1 . . . . 75 K CA . 25620 1 248 . 1 1 75 75 LYS CB C 13 32.880 . . 1 . . . . 75 K CB . 25620 1 249 . 1 1 75 75 LYS N N 15 111.300 . . 1 . . . . 75 K N . 25620 1 250 . 1 1 76 76 VAL H H 1 7.400 . . 1 . . . . 76 V HN . 25620 1 251 . 1 1 76 76 VAL C C 13 176.600 . . 1 . . . . 76 V C . 25620 1 252 . 1 1 76 76 VAL CA C 13 61.860 . . 1 . . . . 76 V CA . 25620 1 253 . 1 1 76 76 VAL CB C 13 31.660 . . 1 . . . . 76 V CB . 25620 1 254 . 1 1 76 76 VAL N N 15 111.800 . . 1 . . . . 76 V N . 25620 1 255 . 1 1 77 77 LEU H H 1 7.241 . . 1 . . . . 77 L HN . 25620 1 256 . 1 1 77 77 LEU C C 13 173.400 . . 1 . . . . 77 L C . 25620 1 257 . 1 1 77 77 LEU CA C 13 52.710 . . 1 . . . . 77 L CA . 25620 1 258 . 1 1 77 77 LEU CB C 13 40.550 . . 1 . . . . 77 L CB . 25620 1 259 . 1 1 77 77 LEU N N 15 121.900 . . 1 . . . . 77 L N . 25620 1 260 . 1 1 85 85 ILE C C 13 178.400 . . 1 . . . . 85 I C . 25620 1 261 . 1 1 85 85 ILE CA C 13 64.220 . . 1 . . . . 85 I CA . 25620 1 262 . 1 1 85 85 ILE CB C 13 36.190 . . 1 . . . . 85 I CB . 25620 1 263 . 1 1 86 86 GLY H H 1 8.373 . . 1 . . . . 86 G HN . 25620 1 264 . 1 1 86 86 GLY C C 13 176.000 . . 1 . . . . 86 G C . 25620 1 265 . 1 1 86 86 GLY CA C 13 47.280 . . 1 . . . . 86 G CA . 25620 1 266 . 1 1 86 86 GLY N N 15 108.300 . . 1 . . . . 86 G N . 25620 1 267 . 1 1 87 87 ASP H H 1 7.920 . . 1 . . . . 87 D HN . 25620 1 268 . 1 1 87 87 ASP C C 13 180.000 . . 1 . . . . 87 D C . 25620 1 269 . 1 1 87 87 ASP CA C 13 57.880 . . 1 . . . . 87 D CA . 25620 1 270 . 1 1 87 87 ASP CB C 13 40.230 . . 1 . . . . 87 D CB . 25620 1 271 . 1 1 87 87 ASP N N 15 123.800 . . 1 . . . . 87 D N . 25620 1 272 . 1 1 88 88 LEU H H 1 8.568 . . 1 . . . . 88 L HN . 25620 1 273 . 1 1 88 88 LEU C C 13 178.000 . . 1 . . . . 88 L C . 25620 1 274 . 1 1 88 88 LEU CA C 13 57.840 . . 1 . . . . 88 L CA . 25620 1 275 . 1 1 88 88 LEU CB C 13 43.310 . . 1 . . . . 88 L CB . 25620 1 276 . 1 1 88 88 LEU N N 15 119.900 . . 1 . . . . 88 L N . 25620 1 277 . 1 1 89 89 SER H H 1 8.329 . . 1 . . . . 89 S HN . 25620 1 278 . 1 1 89 89 SER C C 13 175.400 . . 1 . . . . 89 S C . 25620 1 279 . 1 1 89 89 SER CA C 13 60.700 . . 1 . . . . 89 S CA . 25620 1 280 . 1 1 89 89 SER CB C 13 63.870 . . 1 . . . . 89 S CB . 25620 1 281 . 1 1 89 89 SER N N 15 113.700 . . 1 . . . . 89 S N . 25620 1 282 . 1 1 90 90 ASN H H 1 8.776 . . 1 . . . . 90 N HN . 25620 1 283 . 1 1 90 90 ASN C C 13 175.700 . . 1 . . . . 90 N C . 25620 1 284 . 1 1 90 90 ASN CA C 13 55.460 . . 1 . . . . 90 N CA . 25620 1 285 . 1 1 90 90 ASN CB C 13 39.850 . . 1 . . . . 90 N CB . 25620 1 286 . 1 1 90 90 ASN N N 15 116.400 . . 1 . . . . 90 N N . 25620 1 287 . 1 1 91 91 ARG H H 1 7.948 . . 1 . . . . 91 R HN . 25620 1 288 . 1 1 91 91 ARG C C 13 177.200 . . 1 . . . . 91 R C . 25620 1 289 . 1 1 91 91 ARG CA C 13 58.360 . . 1 . . . . 91 R CA . 25620 1 290 . 1 1 91 91 ARG CB C 13 30.760 . . 1 . . . . 91 R CB . 25620 1 291 . 1 1 91 91 ARG N N 15 118.600 . . 1 . . . . 91 R N . 25620 1 292 . 1 1 92 92 GLU H H 1 8.301 . . 1 . . . . 92 E HN . 25620 1 293 . 1 1 92 92 GLU C C 13 175.800 . . 1 . . . . 92 E C . 25620 1 294 . 1 1 92 92 GLU CA C 13 56.240 . . 1 . . . . 92 E CA . 25620 1 295 . 1 1 92 92 GLU CB C 13 30.090 . . 1 . . . . 92 E CB . 25620 1 296 . 1 1 92 92 GLU N N 15 114.400 . . 1 . . . . 92 E N . 25620 1 297 . 1 1 93 93 LYS H H 1 6.738 . . 1 . . . . 93 K HN . 25620 1 298 . 1 1 93 93 LYS C C 13 175.800 . . 1 . . . . 93 K C . 25620 1 299 . 1 1 93 93 LYS CA C 13 57.400 . . 1 . . . . 93 K CA . 25620 1 300 . 1 1 93 93 LYS CB C 13 29.160 . . 1 . . . . 93 K CB . 25620 1 301 . 1 1 93 93 LYS N N 15 109.900 . . 1 . . . . 93 K N . 25620 1 302 . 1 1 94 94 VAL H H 1 7.527 . . 1 . . . . 94 V HN . 25620 1 303 . 1 1 94 94 VAL C C 13 175.500 . . 1 . . . . 94 V C . 25620 1 304 . 1 1 94 94 VAL CA C 13 61.020 . . 1 . . . . 94 V CA . 25620 1 305 . 1 1 94 94 VAL CB C 13 33.300 . . 1 . . . . 94 V CB . 25620 1 306 . 1 1 94 94 VAL N N 15 107.000 . . 1 . . . . 94 V N . 25620 1 307 . 1 1 95 95 LEU H H 1 7.215 . . 1 . . . . 95 L HN . 25620 1 308 . 1 1 95 95 LEU C C 13 175.200 . . 1 . . . . 95 L C . 25620 1 309 . 1 1 95 95 LEU CA C 13 55.300 . . 1 . . . . 95 L CA . 25620 1 310 . 1 1 95 95 LEU CB C 13 43.270 . . 1 . . . . 95 L CB . 25620 1 311 . 1 1 95 95 LEU N N 15 121.800 . . 1 . . . . 95 L N . 25620 1 312 . 1 1 96 96 ILE H H 1 9.227 . . 1 . . . . 96 I HN . 25620 1 313 . 1 1 96 96 ILE C C 13 175.700 . . 1 . . . . 96 I C . 25620 1 314 . 1 1 96 96 ILE CA C 13 60.500 . . 1 . . . . 96 I CA . 25620 1 315 . 1 1 96 96 ILE CB C 13 38.240 . . 1 . . . . 96 I CB . 25620 1 316 . 1 1 96 96 ILE N N 15 128.700 . . 1 . . . . 96 I N . 25620 1 317 . 1 1 97 97 ALA H H 1 7.912 . . 1 . . . . 97 A HN . 25620 1 318 . 1 1 97 97 ALA C C 13 174.000 . . 1 . . . . 97 A C . 25620 1 319 . 1 1 97 97 ALA CA C 13 51.080 . . 1 . . . . 97 A CA . 25620 1 320 . 1 1 97 97 ALA CB C 13 22.120 . . 1 . . . . 97 A CB . 25620 1 321 . 1 1 97 97 ALA N N 15 116.900 . . 1 . . . . 97 A N . 25620 1 stop_ save_