################################### # 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 25621 _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' . . . 25621 1 2 '3D HNCACB' . . . 25621 1 3 '3D HN(CO)CACB' . . . 25621 1 4 '3D HN(CA)CO' . . . 25621 1 5 '3D HNCO' . . . 25621 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 . 25621 1 2 . 1 1 15 15 THR CA C 13 62.790 . . 1 . . . . 15 T CA . 25621 1 3 . 1 1 15 15 THR CB C 13 70.250 . . 1 . . . . 15 T CB . 25621 1 4 . 1 1 16 16 ALA H H 1 8.074 . . 1 . . . . 16 A HN . 25621 1 5 . 1 1 16 16 ALA C C 13 176.300 . . 1 . . . . 16 A C . 25621 1 6 . 1 1 16 16 ALA CA C 13 51.420 . . 1 . . . . 16 A CA . 25621 1 7 . 1 1 16 16 ALA CB C 13 20.790 . . 1 . . . . 16 A CB . 25621 1 8 . 1 1 16 16 ALA N N 15 127.900 . . 1 . . . . 16 A N . 25621 1 9 . 1 1 17 17 VAL H H 1 8.657 . . 1 . . . . 17 V HN . 25621 1 10 . 1 1 17 17 VAL C C 13 174.100 . . 1 . . . . 17 V C . 25621 1 11 . 1 1 17 17 VAL CA C 13 61.600 . . 1 . . . . 17 V CA . 25621 1 12 . 1 1 17 17 VAL CB C 13 34.090 . . 1 . . . . 17 V CB . 25621 1 13 . 1 1 17 17 VAL N N 15 121.400 . . 1 . . . . 17 V N . 25621 1 14 . 1 1 18 18 LEU H H 1 9.031 . . 1 . . . . 18 L HN . 25621 1 15 . 1 1 18 18 LEU C C 13 173.200 . . 1 . . . . 18 L C . 25621 1 16 . 1 1 18 18 LEU CA C 13 53.360 . . 1 . . . . 18 L CA . 25621 1 17 . 1 1 18 18 LEU CB C 13 43.130 . . 1 . . . . 18 L CB . 25621 1 18 . 1 1 18 18 LEU N N 15 130.300 . . 1 . . . . 18 L N . 25621 1 19 . 1 1 19 19 LYS H H 1 9.091 . . 1 . . . . 19 K HN . 25621 1 20 . 1 1 19 19 LYS C C 13 174.500 . . 1 . . . . 19 K C . 25621 1 21 . 1 1 19 19 LYS CA C 13 54.920 . . 1 . . . . 19 K CA . 25621 1 22 . 1 1 19 19 LYS CB C 13 34.230 . . 1 . . . . 19 K CB . 25621 1 23 . 1 1 19 19 LYS N N 15 126.500 . . 1 . . . . 19 K N . 25621 1 24 . 1 1 20 20 LEU H H 1 8.632 . . 1 . . . . 20 L HN . 25621 1 25 . 1 1 20 20 LEU C C 13 174.200 . . 1 . . . . 20 L C . 25621 1 26 . 1 1 20 20 LEU N N 15 123.700 . . 1 . . . . 20 L N . 25621 1 27 . 1 1 21 21 TYR C C 13 175.200 . . 1 . . . . 21 Y C . 25621 1 28 . 1 1 21 21 TYR CA C 13 56.750 . . 1 . . . . 21 Y CA . 25621 1 29 . 1 1 21 21 TYR CB C 13 38.250 . . 1 . . . . 21 Y CB . 25621 1 30 . 1 1 22 22 VAL H H 1 9.308 . . 1 . . . . 22 V HN . 25621 1 31 . 1 1 22 22 VAL C C 13 174.400 . . 1 . . . . 22 V C . 25621 1 32 . 1 1 22 22 VAL CA C 13 58.360 . . 1 . . . . 22 V CA . 25621 1 33 . 1 1 22 22 VAL CB C 13 34.850 . . 1 . . . . 22 V CB . 25621 1 34 . 1 1 22 22 VAL N N 15 118.500 . . 1 . . . . 22 V N . 25621 1 35 . 1 1 23 23 ALA H H 1 9.256 . . 1 . . . . 23 A HN . 25621 1 36 . 1 1 23 23 ALA C C 13 175.800 . . 1 . . . . 23 A C . 25621 1 37 . 1 1 23 23 ALA CA C 13 50.230 . . 1 . . . . 23 A CA . 25621 1 38 . 1 1 23 23 ALA CB C 13 18.180 . . 1 . . . . 23 A CB . 25621 1 39 . 1 1 23 23 ALA N N 15 127.800 . . 1 . . . . 23 A N . 25621 1 40 . 1 1 24 24 GLY H H 1 7.996 . . 1 . . . . 24 G HN . 25621 1 41 . 1 1 24 24 GLY C C 13 171.400 . . 1 . . . . 24 G C . 25621 1 42 . 1 1 24 24 GLY CA C 13 44.860 . . 1 . . . . 24 G CA . 25621 1 43 . 1 1 24 24 GLY N N 15 110.400 . . 1 . . . . 24 G N . 25621 1 44 . 1 1 25 25 ASN H H 1 8.012 . . 1 . . . . 25 N HN . 25621 1 45 . 1 1 25 25 ASN C C 13 174.000 . . 1 . . . . 25 N C . 25621 1 46 . 1 1 25 25 ASN CA C 13 52.540 . . 1 . . . . 25 N CA . 25621 1 47 . 1 1 25 25 ASN CB C 13 42.730 . . 1 . . . . 25 N CB . 25621 1 48 . 1 1 25 25 ASN N N 15 112.400 . . 1 . . . . 25 N N . 25621 1 49 . 1 1 26 26 THR H H 1 9.102 . . 1 . . . . 26 T HN . 25621 1 50 . 1 1 26 26 THR C C 13 173.300 . . 1 . . . . 26 T C . 25621 1 51 . 1 1 26 26 THR CA C 13 58.700 . . 1 . . . . 26 T CA . 25621 1 52 . 1 1 26 26 THR CB C 13 69.800 . . 1 . . . . 26 T CB . 25621 1 53 . 1 1 26 26 THR N N 15 113.400 . . 1 . . . . 26 T N . 25621 1 54 . 1 1 27 27 PRO C C 13 179.900 . . 1 . . . . 27 P C . 25621 1 55 . 1 1 27 27 PRO CA C 13 66.240 . . 1 . . . . 27 P CA . 25621 1 56 . 1 1 27 27 PRO CB C 13 31.560 . . 1 . . . . 27 P CB . 25621 1 57 . 1 1 28 28 ASN H H 1 8.522 . . 1 . . . . 28 N HN . 25621 1 58 . 1 1 28 28 ASN C C 13 178.800 . . 1 . . . . 28 N C . 25621 1 59 . 1 1 28 28 ASN CA C 13 55.120 . . 1 . . . . 28 N CA . 25621 1 60 . 1 1 28 28 ASN CB C 13 37.740 . . 1 . . . . 28 N CB . 25621 1 61 . 1 1 28 28 ASN N N 15 113.000 . . 1 . . . . 28 N N . 25621 1 62 . 1 1 29 29 SER H H 1 8.970 . . 1 . . . . 29 S HN . 25621 1 63 . 1 1 29 29 SER C C 13 175.900 . . 1 . . . . 29 S C . 25621 1 64 . 1 1 29 29 SER N N 15 123.300 . . 1 . . . . 29 S N . 25621 1 65 . 1 1 30 30 VAL H H 1 8.375 . . 1 . . . . 30 V HN . 25621 1 66 . 1 1 30 30 VAL C C 13 179.400 . . 1 . . . . 30 V C . 25621 1 67 . 1 1 30 30 VAL CA C 13 67.050 . . 1 . . . . 30 V CA . 25621 1 68 . 1 1 30 30 VAL CB C 13 31.760 . . 1 . . . . 30 V CB . 25621 1 69 . 1 1 30 30 VAL N N 15 124.600 . . 1 . . . . 30 V N . 25621 1 70 . 1 1 31 31 ARG H H 1 7.339 . . 1 . . . . 31 R HN . 25621 1 71 . 1 1 31 31 ARG C C 13 178.900 . . 1 . . . . 31 R C . 25621 1 72 . 1 1 31 31 ARG CA C 13 59.720 . . 1 . . . . 31 R CA . 25621 1 73 . 1 1 31 31 ARG CB C 13 30.390 . . 1 . . . . 31 R CB . 25621 1 74 . 1 1 31 31 ARG N N 15 119.300 . . 1 . . . . 31 R N . 25621 1 75 . 1 1 32 32 ALA C C 13 179.800 . . 1 . . . . 32 A C . 25621 1 76 . 1 1 32 32 ALA CA C 13 55.210 . . 1 . . . . 32 A CA . 25621 1 77 . 1 1 32 32 ALA CB C 13 18.550 . . 1 . . . . 32 A CB . 25621 1 78 . 1 1 33 33 LEU H H 1 8.499 . . 1 . . . . 33 L HN . 25621 1 79 . 1 1 33 33 LEU C C 13 179.800 . . 1 . . . . 33 L C . 25621 1 80 . 1 1 33 33 LEU CA C 13 58.200 . . 1 . . . . 33 L CA . 25621 1 81 . 1 1 33 33 LEU CB C 13 41.600 . . 1 . . . . 33 L CB . 25621 1 82 . 1 1 33 33 LEU N N 15 118.300 . . 1 . . . . 33 L N . 25621 1 83 . 1 1 34 34 LYS H H 1 7.848 . . 1 . . . . 34 K HN . 25621 1 84 . 1 1 34 34 LYS C C 13 179.300 . . 1 . . . . 34 K C . 25621 1 85 . 1 1 34 34 LYS CA C 13 59.920 . . 1 . . . . 34 K CA . 25621 1 86 . 1 1 34 34 LYS CB C 13 31.930 . . 1 . . . . 34 K CB . 25621 1 87 . 1 1 34 34 LYS N N 15 122.100 . . 1 . . . . 34 K N . 25621 1 88 . 1 1 35 35 THR H H 1 8.293 . . 1 . . . . 35 T HN . 25621 1 89 . 1 1 35 35 THR C C 13 176.300 . . 1 . . . . 35 T C . 25621 1 90 . 1 1 35 35 THR CA C 13 67.120 . . 1 . . . . 35 T CA . 25621 1 91 . 1 1 35 35 THR CB C 13 68.550 . . 1 . . . . 35 T CB . 25621 1 92 . 1 1 35 35 THR N N 15 118.600 . . 1 . . . . 35 T N . 25621 1 93 . 1 1 36 36 LEU H H 1 8.836 . . 1 . . . . 36 L HN . 25621 1 94 . 1 1 36 36 LEU C C 13 177.600 . . 1 . . . . 36 L C . 25621 1 95 . 1 1 36 36 LEU CA C 13 58.260 . . 1 . . . . 36 L CA . 25621 1 96 . 1 1 36 36 LEU CB C 13 41.380 . . 1 . . . . 36 L CB . 25621 1 97 . 1 1 36 36 LEU N N 15 122.000 . . 1 . . . . 36 L N . 25621 1 98 . 1 1 37 37 ASN H H 1 8.217 . . 1 . . . . 37 N HN . 25621 1 99 . 1 1 37 37 ASN C C 13 177.000 . . 1 . . . . 37 N C . 25621 1 100 . 1 1 37 37 ASN CA C 13 57.890 . . 1 . . . . 37 N CA . 25621 1 101 . 1 1 37 37 ASN CB C 13 39.500 . . 1 . . . . 37 N CB . 25621 1 102 . 1 1 37 37 ASN N N 15 116.900 . . 1 . . . . 37 N N . 25621 1 103 . 1 1 38 38 ASN H H 1 8.075 . . 1 . . . . 38 N HN . 25621 1 104 . 1 1 38 38 ASN C C 13 177.800 . . 1 . . . . 38 N C . 25621 1 105 . 1 1 38 38 ASN CA C 13 56.490 . . 1 . . . . 38 N CA . 25621 1 106 . 1 1 38 38 ASN CB C 13 38.470 . . 1 . . . . 38 N CB . 25621 1 107 . 1 1 38 38 ASN N N 15 117.000 . . 1 . . . . 38 N N . 25621 1 108 . 1 1 39 39 ILE H H 1 8.520 . . 1 . . . . 39 I HN . 25621 1 109 . 1 1 39 39 ILE C C 13 178.700 . . 1 . . . . 39 I C . 25621 1 110 . 1 1 39 39 ILE CA C 13 65.580 . . 1 . . . . 39 I CA . 25621 1 111 . 1 1 39 39 ILE CB C 13 38.580 . . 1 . . . . 39 I CB . 25621 1 112 . 1 1 39 39 ILE N N 15 120.800 . . 1 . . . . 39 I N . 25621 1 113 . 1 1 40 40 LEU H H 1 8.428 . . 1 . . . . 40 L HN . 25621 1 114 . 1 1 40 40 LEU C C 13 179.500 . . 1 . . . . 40 L C . 25621 1 115 . 1 1 40 40 LEU CA C 13 58.740 . . 1 . . . . 40 L CA . 25621 1 116 . 1 1 40 40 LEU CB C 13 40.480 . . 1 . . . . 40 L CB . 25621 1 117 . 1 1 40 40 LEU N N 15 119.700 . . 1 . . . . 40 L N . 25621 1 118 . 1 1 41 41 GLU H H 1 8.198 . . 1 . . . . 41 E HN . 25621 1 119 . 1 1 41 41 GLU C C 13 177.700 . . 1 . . . . 41 E C . 25621 1 120 . 1 1 41 41 GLU CA C 13 59.060 . . 1 . . . . 41 E CA . 25621 1 121 . 1 1 41 41 GLU CB C 13 30.250 . . 1 . . . . 41 E CB . 25621 1 122 . 1 1 41 41 GLU N N 15 117.100 . . 1 . . . . 41 E N . 25621 1 123 . 1 1 42 42 LYS H H 1 8.086 . . 1 . . . . 42 K HN . 25621 1 124 . 1 1 42 42 LYS C C 13 178.600 . . 1 . . . . 42 K C . 25621 1 125 . 1 1 42 42 LYS CA C 13 58.300 . . 1 . . . . 42 K CA . 25621 1 126 . 1 1 42 42 LYS CB C 13 33.520 . . 1 . . . . 42 K CB . 25621 1 127 . 1 1 42 42 LYS N N 15 116.100 . . 1 . . . . 42 K N . 25621 1 128 . 1 1 43 43 GLU H H 1 8.540 . . 1 . . . . 43 E HN . 25621 1 129 . 1 1 43 43 GLU C C 13 177.000 . . 1 . . . . 43 E C . 25621 1 130 . 1 1 43 43 GLU CA C 13 57.720 . . 1 . . . . 43 E CA . 25621 1 131 . 1 1 43 43 GLU CB C 13 31.010 . . 1 . . . . 43 E CB . 25621 1 132 . 1 1 43 43 GLU N N 15 117.100 . . 1 . . . . 43 E N . 25621 1 133 . 1 1 44 44 PHE H H 1 7.660 . . 1 . . . . 44 F HN . 25621 1 134 . 1 1 44 44 PHE C C 13 175.700 . . 1 . . . . 44 F C . 25621 1 135 . 1 1 44 44 PHE CA C 13 56.960 . . 1 . . . . 44 F CA . 25621 1 136 . 1 1 44 44 PHE CB C 13 39.980 . . 1 . . . . 44 F CB . 25621 1 137 . 1 1 44 44 PHE N N 15 115.900 . . 1 . . . . 44 F N . 25621 1 138 . 1 1 45 45 LYS H H 1 7.721 . . 1 . . . . 45 K HN . 25621 1 139 . 1 1 45 45 LYS C C 13 178.300 . . 1 . . . . 45 K C . 25621 1 140 . 1 1 45 45 LYS CA C 13 58.630 . . 1 . . . . 45 K CA . 25621 1 141 . 1 1 45 45 LYS CB C 13 31.180 . . 1 . . . . 45 K CB . 25621 1 142 . 1 1 45 45 LYS N N 15 121.400 . . 1 . . . . 45 K N . 25621 1 143 . 1 1 46 46 GLY H H 1 9.179 . . 1 . . . . 46 G HN . 25621 1 144 . 1 1 46 46 GLY C C 13 174.400 . . 1 . . . . 46 G C . 25621 1 145 . 1 1 46 46 GLY CA C 13 45.810 . . 1 . . . . 46 G CA . 25621 1 146 . 1 1 46 46 GLY N N 15 113.200 . . 1 . . . . 46 G N . 25621 1 147 . 1 1 47 47 VAL C C 13 175.900 . . 1 . . . . 47 V C . 25621 1 148 . 1 1 47 47 VAL CA C 13 65.080 . . 1 . . . . 47 V CA . 25621 1 149 . 1 1 47 47 VAL CB C 13 33.490 . . 1 . . . . 47 V CB . 25621 1 150 . 1 1 48 48 TYR H H 1 7.894 . . 1 . . . . 48 Y HN . 25621 1 151 . 1 1 48 48 TYR C C 13 174.900 . . 1 . . . . 48 Y C . 25621 1 152 . 1 1 48 48 TYR CA C 13 56.190 . . 1 . . . . 48 Y CA . 25621 1 153 . 1 1 48 48 TYR CB C 13 43.140 . . 1 . . . . 48 Y CB . 25621 1 154 . 1 1 48 48 TYR N N 15 115.000 . . 1 . . . . 48 Y N . 25621 1 155 . 1 1 49 49 ALA H H 1 8.614 . . 1 . . . . 49 A HN . 25621 1 156 . 1 1 49 49 ALA C C 13 175.200 . . 1 . . . . 49 A C . 25621 1 157 . 1 1 49 49 ALA CA C 13 50.790 . . 1 . . . . 49 A CA . 25621 1 158 . 1 1 49 49 ALA CB C 13 21.330 . . 1 . . . . 49 A CB . 25621 1 159 . 1 1 49 49 ALA N N 15 124.400 . . 1 . . . . 49 A N . 25621 1 160 . 1 1 50 50 LEU H H 1 8.811 . . 1 . . . . 50 L HN . 25621 1 161 . 1 1 50 50 LEU C C 13 176.400 . . 1 . . . . 50 L C . 25621 1 162 . 1 1 50 50 LEU CA C 13 54.370 . . 1 . . . . 50 L CA . 25621 1 163 . 1 1 50 50 LEU CB C 13 44.680 . . 1 . . . . 50 L CB . 25621 1 164 . 1 1 50 50 LEU N N 15 123.500 . . 1 . . . . 50 L N . 25621 1 165 . 1 1 51 51 LYS H H 1 8.945 . . 1 . . . . 51 K HN . 25621 1 166 . 1 1 51 51 LYS C C 13 173.600 . . 1 . . . . 51 K C . 25621 1 167 . 1 1 51 51 LYS CA C 13 54.910 . . 1 . . . . 51 K CA . 25621 1 168 . 1 1 51 51 LYS CB C 13 35.600 . . 1 . . . . 51 K CB . 25621 1 169 . 1 1 51 51 LYS N N 15 127.800 . . 1 . . . . 51 K N . 25621 1 170 . 1 1 52 52 VAL H H 1 8.653 . . 1 . . . . 52 V HN . 25621 1 171 . 1 1 52 52 VAL C C 13 175.300 . . 1 . . . . 52 V C . 25621 1 172 . 1 1 52 52 VAL CA C 13 62.080 . . 1 . . . . 52 V CA . 25621 1 173 . 1 1 52 52 VAL CB C 13 32.990 . . 1 . . . . 52 V CB . 25621 1 174 . 1 1 52 52 VAL N N 15 125.100 . . 1 . . . . 52 V N . 25621 1 175 . 1 1 59 59 PRO C C 13 178.400 . . 1 . . . . 59 P C . 25621 1 176 . 1 1 59 59 PRO CA C 13 64.880 . . 1 . . . . 59 P CA . 25621 1 177 . 1 1 59 59 PRO CB C 13 31.680 . . 1 . . . . 59 P CB . 25621 1 178 . 1 1 60 60 GLN H H 1 8.718 . . 1 . . . . 60 Q HN . 25621 1 179 . 1 1 60 60 GLN C C 13 176.700 . . 1 . . . . 60 Q C . 25621 1 180 . 1 1 60 60 GLN CA C 13 57.020 . . 1 . . . . 60 Q CA . 25621 1 181 . 1 1 60 60 GLN CB C 13 27.670 . . 1 . . . . 60 Q CB . 25621 1 182 . 1 1 60 60 GLN N N 15 119.000 . . 1 . . . . 60 Q N . 25621 1 183 . 1 1 61 61 LEU H H 1 7.870 . . 1 . . . . 61 L HN . 25621 1 184 . 1 1 61 61 LEU C C 13 177.200 . . 1 . . . . 61 L C . 25621 1 185 . 1 1 61 61 LEU CA C 13 55.220 . . 1 . . . . 61 L CA . 25621 1 186 . 1 1 61 61 LEU CB C 13 42.110 . . 1 . . . . 61 L CB . 25621 1 187 . 1 1 61 61 LEU N N 15 121.300 . . 1 . . . . 61 L N . 25621 1 188 . 1 1 83 83 ARG C C 13 178.400 . . 1 . . . . 83 R C . 25621 1 189 . 1 1 83 83 ARG CA C 13 59.550 . . 1 . . . . 83 R CA . 25621 1 190 . 1 1 83 83 ARG CB C 13 30.000 . . 1 . . . . 83 R CB . 25621 1 191 . 1 1 84 84 ILE H H 1 6.973 . . 1 . . . . 84 I HN . 25621 1 192 . 1 1 84 84 ILE C C 13 178.200 . . 1 . . . . 84 I C . 25621 1 193 . 1 1 84 84 ILE CA C 13 64.840 . . 1 . . . . 84 I CA . 25621 1 194 . 1 1 84 84 ILE CB C 13 38.180 . . 1 . . . . 84 I CB . 25621 1 195 . 1 1 84 84 ILE N N 15 119.300 . . 1 . . . . 84 I N . 25621 1 196 . 1 1 85 85 ILE H H 1 8.014 . . 1 . . . . 85 I HN . 25621 1 197 . 1 1 85 85 ILE C C 13 178.300 . . 1 . . . . 85 I C . 25621 1 198 . 1 1 85 85 ILE CA C 13 65.040 . . 1 . . . . 85 I CA . 25621 1 199 . 1 1 85 85 ILE CB C 13 36.660 . . 1 . . . . 85 I CB . 25621 1 200 . 1 1 85 85 ILE N N 15 119.600 . . 1 . . . . 85 I N . 25621 1 201 . 1 1 86 86 GLY H H 1 8.326 . . 1 . . . . 86 G HN . 25621 1 202 . 1 1 86 86 GLY C C 13 176.000 . . 1 . . . . 86 G C . 25621 1 203 . 1 1 86 86 GLY CA C 13 47.340 . . 1 . . . . 86 G CA . 25621 1 204 . 1 1 86 86 GLY N N 15 108.100 . . 1 . . . . 86 G N . 25621 1 205 . 1 1 87 87 ASP H H 1 7.987 . . 1 . . . . 87 D HN . 25621 1 206 . 1 1 87 87 ASP C C 13 180.000 . . 1 . . . . 87 D C . 25621 1 207 . 1 1 87 87 ASP CA C 13 57.970 . . 1 . . . . 87 D CA . 25621 1 208 . 1 1 87 87 ASP CB C 13 40.220 . . 1 . . . . 87 D CB . 25621 1 209 . 1 1 87 87 ASP N N 15 123.700 . . 1 . . . . 87 D N . 25621 1 210 . 1 1 88 88 LEU H H 1 8.554 . . 1 . . . . 88 L HN . 25621 1 211 . 1 1 88 88 LEU C C 13 177.900 . . 1 . . . . 88 L C . 25621 1 212 . 1 1 88 88 LEU CA C 13 58.050 . . 1 . . . . 88 L CA . 25621 1 213 . 1 1 88 88 LEU CB C 13 43.280 . . 1 . . . . 88 L CB . 25621 1 214 . 1 1 88 88 LEU N N 15 120.000 . . 1 . . . . 88 L N . 25621 1 215 . 1 1 89 89 SER H H 1 8.232 . . 1 . . . . 89 S HN . 25621 1 216 . 1 1 89 89 SER C C 13 175.600 . . 1 . . . . 89 S C . 25621 1 217 . 1 1 89 89 SER CA C 13 60.430 . . 1 . . . . 89 S CA . 25621 1 218 . 1 1 89 89 SER CB C 13 63.970 . . 1 . . . . 89 S CB . 25621 1 219 . 1 1 89 89 SER N N 15 113.000 . . 1 . . . . 89 S N . 25621 1 220 . 1 1 90 90 ASN H H 1 8.781 . . 1 . . . . 90 N HN . 25621 1 221 . 1 1 90 90 ASN C C 13 175.800 . . 1 . . . . 90 N C . 25621 1 222 . 1 1 90 90 ASN CA C 13 55.550 . . 1 . . . . 90 N CA . 25621 1 223 . 1 1 90 90 ASN CB C 13 39.810 . . 1 . . . . 90 N CB . 25621 1 224 . 1 1 90 90 ASN N N 15 116.600 . . 1 . . . . 90 N N . 25621 1 225 . 1 1 91 91 ARG H H 1 7.975 . . 1 . . . . 91 R HN . 25621 1 226 . 1 1 91 91 ARG C C 13 177.200 . . 1 . . . . 91 R C . 25621 1 227 . 1 1 91 91 ARG CA C 13 58.240 . . 1 . . . . 91 R CA . 25621 1 228 . 1 1 91 91 ARG CB C 13 30.830 . . 1 . . . . 91 R CB . 25621 1 229 . 1 1 91 91 ARG N N 15 118.400 . . 1 . . . . 91 R N . 25621 1 230 . 1 1 92 92 GLU H H 1 8.259 . . 1 . . . . 92 E HN . 25621 1 231 . 1 1 92 92 GLU C C 13 175.900 . . 1 . . . . 92 E C . 25621 1 232 . 1 1 92 92 GLU CA C 13 56.420 . . 1 . . . . 92 E CA . 25621 1 233 . 1 1 92 92 GLU CB C 13 30.000 . . 1 . . . . 92 E CB . 25621 1 234 . 1 1 92 92 GLU N N 15 114.400 . . 1 . . . . 92 E N . 25621 1 235 . 1 1 93 93 LYS H H 1 6.821 . . 1 . . . . 93 K HN . 25621 1 236 . 1 1 93 93 LYS CA C 13 57.670 . . 1 . . . . 93 K CA . 25621 1 237 . 1 1 93 93 LYS CB C 13 29.400 . . 1 . . . . 93 K CB . 25621 1 238 . 1 1 93 93 LYS N N 15 109.900 . . 1 . . . . 93 K N . 25621 1 239 . 1 1 96 96 ILE C C 13 176.300 . . 1 . . . . 96 I C . 25621 1 240 . 1 1 96 96 ILE CA C 13 61.160 . . 1 . . . . 96 I CA . 25621 1 241 . 1 1 96 96 ILE CB C 13 38.930 . . 1 . . . . 96 I CB . 25621 1 242 . 1 1 97 97 GLY H H 1 7.729 . . 1 . . . . 97 G HN . 25621 1 243 . 1 1 97 97 GLY C C 13 170.200 . . 1 . . . . 97 G C . 25621 1 244 . 1 1 97 97 GLY CA C 13 45.760 . . 1 . . . . 97 G CA . 25621 1 245 . 1 1 97 97 GLY N N 15 105.800 . . 1 . . . . 97 G N . 25621 1 246 . 1 1 98 98 LEU H H 1 8.729 . . 1 . . . . 98 L HN . 25621 1 247 . 1 1 98 98 LEU C C 13 174.900 . . 1 . . . . 98 L C . 25621 1 248 . 1 1 98 98 LEU CA C 13 54.710 . . 1 . . . . 98 L CA . 25621 1 249 . 1 1 98 98 LEU CB C 13 46.720 . . 1 . . . . 98 L CB . 25621 1 250 . 1 1 98 98 LEU N N 15 119.400 . . 1 . . . . 98 L N . 25621 1 251 . 1 1 99 99 ARG H H 1 9.183 . . 1 . . . . 99 R HN . 25621 1 252 . 1 1 99 99 ARG C C 13 173.200 . . 1 . . . . 99 R C . 25621 1 253 . 1 1 99 99 ARG CA C 13 55.840 . . 1 . . . . 99 R CA . 25621 1 254 . 1 1 99 99 ARG CB C 13 35.280 . . 1 . . . . 99 R CB . 25621 1 255 . 1 1 99 99 ARG N N 15 119.900 . . 1 . . . . 99 R N . 25621 1 256 . 1 1 100 100 LEU H H 1 8.648 . . 1 . . . . 100 L HN . 25621 1 257 . 1 1 100 100 LEU C C 13 175.600 . . 1 . . . . 100 L C . 25621 1 258 . 1 1 100 100 LEU CA C 13 53.820 . . 1 . . . . 100 L CA . 25621 1 259 . 1 1 100 100 LEU CB C 13 44.380 . . 1 . . . . 100 L CB . 25621 1 260 . 1 1 100 100 LEU N N 15 125.800 . . 1 . . . . 100 L N . 25621 1 261 . 1 1 101 101 LEU H H 1 9.371 . . 1 . . . . 101 L HN . 25621 1 262 . 1 1 101 101 LEU C C 13 175.600 . . 1 . . . . 101 L C . 25621 1 263 . 1 1 101 101 LEU CA C 13 54.060 . . 1 . . . . 101 L CA . 25621 1 264 . 1 1 101 101 LEU CB C 13 42.850 . . 1 . . . . 101 L CB . 25621 1 265 . 1 1 101 101 LEU N N 15 128.700 . . 1 . . . . 101 L N . 25621 1 266 . 1 1 102 102 ALA H H 1 8.566 . . 1 . . . . 102 A HN . 25621 1 267 . 1 1 102 102 ALA C C 13 176.600 . . 1 . . . . 102 A C . 25621 1 268 . 1 1 102 102 ALA CA C 13 52.430 . . 1 . . . . 102 A CA . 25621 1 269 . 1 1 102 102 ALA CB C 13 19.800 . . 1 . . . . 102 A CB . 25621 1 270 . 1 1 102 102 ALA N N 15 126.200 . . 1 . . . . 102 A N . 25621 1 stop_ save_