################################### # 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 25625 _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 TROSY' . . . 25625 1 2 '3D TROSY HNCACB' . . . 25625 1 3 '3D TROSY HN(CO)CACB' . . . 25625 1 4 '3D TROSY HNCA' . . . 25625 1 5 '3D TROSY HN(CO)CA' . . . 25625 1 6 '3D TROSY HN(CA)CO' . . . 25625 1 7 '3D TROSY HNCO' . . . 25625 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 ASP C C 13 176.900 . . 1 . . . . 7 D C . 25625 1 2 . 1 1 7 7 ASP CA C 13 54.350 . . 1 . . . . 7 D CA . 25625 1 3 . 1 1 7 7 ASP CB C 13 40.270 . . 1 . . . . 7 D CB . 25625 1 4 . 1 1 8 8 LYS H H 1 8.079 . . 1 . . . . 8 K HN . 25625 1 5 . 1 1 8 8 LYS C C 13 177.000 . . 1 . . . . 8 K C . 25625 1 6 . 1 1 8 8 LYS CA C 13 56.320 . . 1 . . . . 8 K CA . 25625 1 7 . 1 1 8 8 LYS CB C 13 31.510 . . 1 . . . . 8 K CB . 25625 1 8 . 1 1 8 8 LYS N N 15 121.400 . . 1 . . . . 8 K N . 25625 1 9 . 1 1 9 9 MET H H 1 8.109 . . 1 . . . . 9 M HN . 25625 1 10 . 1 1 9 9 MET C C 13 176.000 . . 1 . . . . 9 M C . 25625 1 11 . 1 1 9 9 MET CA C 13 54.730 . . 1 . . . . 9 M CA . 25625 1 12 . 1 1 9 9 MET CB C 13 31.590 . . 1 . . . . 9 M CB . 25625 1 13 . 1 1 9 9 MET N N 15 119.900 . . 1 . . . . 9 M N . 25625 1 14 . 1 1 10 10 ALA H H 1 7.998 . . 1 . . . . 10 A HN . 25625 1 15 . 1 1 10 10 ALA C C 13 175.600 . . 1 . . . . 10 A C . 25625 1 16 . 1 1 10 10 ALA CA C 13 50.890 . . 1 . . . . 10 A CA . 25625 1 17 . 1 1 10 10 ALA CB C 13 17.070 . . 1 . . . . 10 A CB . 25625 1 18 . 1 1 10 10 ALA N N 15 126.700 . . 1 . . . . 10 A N . 25625 1 19 . 1 1 16 16 TYR C C 13 175.700 . . 1 . . . . 16 Y C . 25625 1 20 . 1 1 16 16 TYR CA C 13 56.260 . . 1 . . . . 16 Y CA . 25625 1 21 . 1 1 16 16 TYR CB C 13 38.900 . . 1 . . . . 16 Y CB . 25625 1 22 . 1 1 17 17 VAL H H 1 8.830 . . 1 . . . . 17 V HN . 25625 1 23 . 1 1 17 17 VAL C C 13 175.300 . . 1 . . . . 17 V C . 25625 1 24 . 1 1 17 17 VAL CA C 13 62.530 . . 1 . . . . 17 V CA . 25625 1 25 . 1 1 17 17 VAL CB C 13 33.130 . . 1 . . . . 17 V CB . 25625 1 26 . 1 1 17 17 VAL N N 15 124.600 . . 1 . . . . 17 V N . 25625 1 27 . 1 1 18 18 LEU H H 1 8.822 . . 1 . . . . 18 L HN . 25625 1 28 . 1 1 18 18 LEU CA C 13 52.550 . . 1 . . . . 18 L CA . 25625 1 29 . 1 1 18 18 LEU CB C 13 44.050 . . 1 . . . . 18 L CB . 25625 1 30 . 1 1 18 18 LEU N N 15 128.800 . . 1 . . . . 18 L N . 25625 1 31 . 1 1 19 19 LYS C C 13 173.900 . . 1 . . . . 19 K C . 25625 1 32 . 1 1 19 19 LYS CA C 13 54.430 . . 1 . . . . 19 K CA . 25625 1 33 . 1 1 19 19 LYS CB C 13 35.270 . . 1 . . . . 19 K CB . 25625 1 34 . 1 1 20 20 LEU H H 1 8.668 . . 1 . . . . 20 L HN . 25625 1 35 . 1 1 20 20 LEU C C 13 173.900 . . 1 . . . . 20 L C . 25625 1 36 . 1 1 20 20 LEU CA C 13 52.560 . . 1 . . . . 20 L CA . 25625 1 37 . 1 1 20 20 LEU CB C 13 44.120 . . 1 . . . . 20 L CB . 25625 1 38 . 1 1 20 20 LEU N N 15 125.300 . . 1 . . . . 20 L N . 25625 1 39 . 1 1 21 21 TYR H H 1 9.668 . . 1 . . . . 21 Y HN . 25625 1 40 . 1 1 21 21 TYR C C 13 176.500 . . 1 . . . . 21 Y C . 25625 1 41 . 1 1 21 21 TYR CA C 13 56.480 . . 1 . . . . 21 Y CA . 25625 1 42 . 1 1 21 21 TYR CB C 13 38.300 . . 1 . . . . 21 Y CB . 25625 1 43 . 1 1 21 21 TYR N N 15 127.700 . . 1 . . . . 21 Y N . 25625 1 44 . 1 1 22 22 VAL H H 1 9.074 . . 1 . . . . 22 V HN . 25625 1 45 . 1 1 22 22 VAL C C 13 174.100 . . 1 . . . . 22 V C . 25625 1 46 . 1 1 22 22 VAL CA C 13 58.350 . . 1 . . . . 22 V CA . 25625 1 47 . 1 1 22 22 VAL CB C 13 34.690 . . 1 . . . . 22 V CB . 25625 1 48 . 1 1 22 22 VAL N N 15 116.300 . . 1 . . . . 22 V N . 25625 1 49 . 1 1 23 23 ALA H H 1 8.437 . . 1 . . . . 23 A HN . 25625 1 50 . 1 1 23 23 ALA C C 13 175.800 . . 1 . . . . 23 A C . 25625 1 51 . 1 1 23 23 ALA CA C 13 49.730 . . 1 . . . . 23 A CA . 25625 1 52 . 1 1 23 23 ALA CB C 13 18.010 . . 1 . . . . 23 A CB . 25625 1 53 . 1 1 23 23 ALA N N 15 124.000 . . 1 . . . . 23 A N . 25625 1 54 . 1 1 24 24 GLY H H 1 8.759 . . 1 . . . . 24 G HN . 25625 1 55 . 1 1 24 24 GLY C C 13 172.300 . . 1 . . . . 24 G C . 25625 1 56 . 1 1 24 24 GLY CA C 13 47.360 . . 1 . . . . 24 G CA . 25625 1 57 . 1 1 24 24 GLY N N 15 114.700 . . 1 . . . . 24 G N . 25625 1 58 . 1 1 25 25 ASN H H 1 8.441 . . 1 . . . . 25 N HN . 25625 1 59 . 1 1 25 25 ASN C C 13 175.400 . . 1 . . . . 25 N C . 25625 1 60 . 1 1 25 25 ASN CA C 13 51.410 . . 1 . . . . 25 N CA . 25625 1 61 . 1 1 25 25 ASN N N 15 123.200 . . 1 . . . . 25 N N . 25625 1 62 . 1 1 26 26 THR H H 1 7.600 . . 1 . . . . 26 T HN . 25625 1 63 . 1 1 26 26 THR CA C 13 60.320 . . 1 . . . . 26 T CA . 25625 1 64 . 1 1 26 26 THR CB C 13 68.510 . . 1 . . . . 26 T CB . 25625 1 65 . 1 1 26 26 THR N N 15 112.100 . . 1 . . . . 26 T N . 25625 1 66 . 1 1 31 31 ARG C C 13 179.000 . . 1 . . . . 31 R C . 25625 1 67 . 1 1 31 31 ARG CA C 13 59.550 . . 1 . . . . 31 R CA . 25625 1 68 . 1 1 32 32 ALA H H 1 7.794 . . 1 . . . . 32 A HN . 25625 1 69 . 1 1 32 32 ALA C C 13 178.900 . . 1 . . . . 32 A C . 25625 1 70 . 1 1 32 32 ALA CA C 13 55.030 . . 1 . . . . 32 A CA . 25625 1 71 . 1 1 32 32 ALA CB C 13 18.130 . . 1 . . . . 32 A CB . 25625 1 72 . 1 1 32 32 ALA N N 15 122.700 . . 1 . . . . 32 A N . 25625 1 73 . 1 1 33 33 LEU H H 1 7.866 . . 1 . . . . 33 L HN . 25625 1 74 . 1 1 33 33 LEU C C 13 178.400 . . 1 . . . . 33 L C . 25625 1 75 . 1 1 33 33 LEU CA C 13 57.840 . . 1 . . . . 33 L CA . 25625 1 76 . 1 1 33 33 LEU N N 15 118.200 . . 1 . . . . 33 L N . 25625 1 77 . 1 1 34 34 LYS H H 1 7.878 . . 1 . . . . 34 K HN . 25625 1 78 . 1 1 34 34 LYS C C 13 180.300 . . 1 . . . . 34 K C . 25625 1 79 . 1 1 34 34 LYS CA C 13 59.250 . . 1 . . . . 34 K CA . 25625 1 80 . 1 1 34 34 LYS N N 15 119.100 . . 1 . . . . 34 K N . 25625 1 81 . 1 1 35 35 THR H H 1 8.387 . . 1 . . . . 35 T HN . 25625 1 82 . 1 1 35 35 THR C C 13 176.400 . . 1 . . . . 35 T C . 25625 1 83 . 1 1 35 35 THR CA C 13 66.280 . . 1 . . . . 35 T CA . 25625 1 84 . 1 1 35 35 THR N N 15 118.100 . . 1 . . . . 35 T N . 25625 1 85 . 1 1 36 36 LEU H H 1 8.855 . . 1 . . . . 36 L HN . 25625 1 86 . 1 1 36 36 LEU C C 13 178.300 . . 1 . . . . 36 L C . 25625 1 87 . 1 1 36 36 LEU CA C 13 57.340 . . 1 . . . . 36 L CA . 25625 1 88 . 1 1 36 36 LEU N N 15 122.600 . . 1 . . . . 36 L N . 25625 1 89 . 1 1 37 37 ASN H H 1 8.444 . . 1 . . . . 37 N HN . 25625 1 90 . 1 1 37 37 ASN C C 13 177.600 . . 1 . . . . 37 N C . 25625 1 91 . 1 1 37 37 ASN CA C 13 56.360 . . 1 . . . . 37 N CA . 25625 1 92 . 1 1 37 37 ASN CB C 13 37.510 . . 1 . . . . 37 N CB . 25625 1 93 . 1 1 37 37 ASN N N 15 117.000 . . 1 . . . . 37 N N . 25625 1 94 . 1 1 38 38 ASN H H 1 7.432 . . 1 . . . . 38 N HN . 25625 1 95 . 1 1 38 38 ASN C C 13 177.400 . . 1 . . . . 38 N C . 25625 1 96 . 1 1 38 38 ASN CA C 13 56.580 . . 1 . . . . 38 N CA . 25625 1 97 . 1 1 38 38 ASN CB C 13 38.920 . . 1 . . . . 38 N CB . 25625 1 98 . 1 1 38 38 ASN N N 15 117.800 . . 1 . . . . 38 N N . 25625 1 99 . 1 1 48 48 TYR C C 13 175.600 . . 1 . . . . 48 Y C . 25625 1 100 . 1 1 48 48 TYR CA C 13 56.450 . . 1 . . . . 48 Y CA . 25625 1 101 . 1 1 49 49 ALA H H 1 8.727 . . 1 . . . . 49 A HN . 25625 1 102 . 1 1 49 49 ALA C C 13 175.300 . . 1 . . . . 49 A C . 25625 1 103 . 1 1 49 49 ALA CA C 13 50.360 . . 1 . . . . 49 A CA . 25625 1 104 . 1 1 49 49 ALA CB C 13 20.020 . . 1 . . . . 49 A CB . 25625 1 105 . 1 1 49 49 ALA N N 15 125.300 . . 1 . . . . 49 A N . 25625 1 106 . 1 1 50 50 LEU H H 1 8.528 . . 1 . . . . 50 L HN . 25625 1 107 . 1 1 50 50 LEU C C 13 175.600 . . 1 . . . . 50 L C . 25625 1 108 . 1 1 50 50 LEU CA C 13 53.750 . . 1 . . . . 50 L CA . 25625 1 109 . 1 1 50 50 LEU CB C 13 43.570 . . 1 . . . . 50 L CB . 25625 1 110 . 1 1 50 50 LEU N N 15 124.100 . . 1 . . . . 50 L N . 25625 1 111 . 1 1 51 51 LYS H H 1 8.804 . . 1 . . . . 51 K HN . 25625 1 112 . 1 1 51 51 LYS C C 13 173.900 . . 1 . . . . 51 K C . 25625 1 113 . 1 1 51 51 LYS CA C 13 54.160 . . 1 . . . . 51 K CA . 25625 1 114 . 1 1 51 51 LYS CB C 13 33.270 . . 1 . . . . 51 K CB . 25625 1 115 . 1 1 51 51 LYS N N 15 129.700 . . 1 . . . . 51 K N . 25625 1 116 . 1 1 52 52 VAL H H 1 8.525 . . 1 . . . . 52 V HN . 25625 1 117 . 1 1 52 52 VAL C C 13 176.000 . . 1 . . . . 52 V C . 25625 1 118 . 1 1 52 52 VAL CA C 13 61.420 . . 1 . . . . 52 V CA . 25625 1 119 . 1 1 52 52 VAL CB C 13 31.510 . . 1 . . . . 52 V CB . 25625 1 120 . 1 1 52 52 VAL N N 15 126.500 . . 1 . . . . 52 V N . 25625 1 121 . 1 1 53 53 ILE H H 1 9.135 . . 1 . . . . 53 I HN . 25625 1 122 . 1 1 53 53 ILE C C 13 173.500 . . 1 . . . . 53 I C . 25625 1 123 . 1 1 53 53 ILE CA C 13 60.020 . . 1 . . . . 53 I CA . 25625 1 124 . 1 1 53 53 ILE CB C 13 39.510 . . 1 . . . . 53 I CB . 25625 1 125 . 1 1 53 53 ILE N N 15 131.500 . . 1 . . . . 53 I N . 25625 1 126 . 1 1 54 54 ASP H H 1 8.981 . . 1 . . . . 54 D HN . 25625 1 127 . 1 1 54 54 ASP C C 13 179.000 . . 1 . . . . 54 D C . 25625 1 128 . 1 1 54 54 ASP CA C 13 51.730 . . 1 . . . . 54 D CA . 25625 1 129 . 1 1 54 54 ASP CB C 13 40.450 . . 1 . . . . 54 D CB . 25625 1 130 . 1 1 54 54 ASP N N 15 127.700 . . 1 . . . . 54 D N . 25625 1 131 . 1 1 55 55 VAL H H 1 9.459 . . 1 . . . . 55 V HN . 25625 1 132 . 1 1 55 55 VAL CA C 13 63.340 . . 1 . . . . 55 V CA . 25625 1 133 . 1 1 55 55 VAL N N 15 122.600 . . 1 . . . . 55 V N . 25625 1 134 . 1 1 71 71 PRO C C 13 176.800 . . 1 . . . . 71 P C . 25625 1 135 . 1 1 71 71 PRO CA C 13 62.740 . . 1 . . . . 71 P CA . 25625 1 136 . 1 1 71 71 PRO CB C 13 32.130 . . 1 . . . . 71 P CB . 25625 1 137 . 1 1 72 72 THR H H 1 8.384 . . 1 . . . . 72 T HN . 25625 1 138 . 1 1 72 72 THR C C 13 171.500 . . 1 . . . . 72 T C . 25625 1 139 . 1 1 72 72 THR CA C 13 63.570 . . 1 . . . . 72 T CA . 25625 1 140 . 1 1 72 72 THR CB C 13 72.450 . . 1 . . . . 72 T CB . 25625 1 141 . 1 1 72 72 THR N N 15 116.400 . . 1 . . . . 72 T N . 25625 1 142 . 1 1 73 73 LEU H H 1 9.673 . . 1 . . . . 73 L HN . 25625 1 143 . 1 1 73 73 LEU C C 13 173.300 . . 1 . . . . 73 L C . 25625 1 144 . 1 1 73 73 LEU CA C 13 52.980 . . 1 . . . . 73 L CA . 25625 1 145 . 1 1 73 73 LEU N N 15 131.400 . . 1 . . . . 73 L N . 25625 1 146 . 1 1 74 74 ALA H H 1 9.901 . . 1 . . . . 74 A HN . 25625 1 147 . 1 1 74 74 ALA C C 13 175.200 . . 1 . . . . 74 A C . 25625 1 148 . 1 1 74 74 ALA CA C 13 49.940 . . 1 . . . . 74 A CA . 25625 1 149 . 1 1 74 74 ALA CB C 13 20.930 . . 1 . . . . 74 A CB . 25625 1 150 . 1 1 74 74 ALA N N 15 130.700 . . 1 . . . . 74 A N . 25625 1 151 . 1 1 75 75 LYS H H 1 8.882 . . 1 . . . . 75 K HN . 25625 1 152 . 1 1 75 75 LYS C C 13 175.100 . . 1 . . . . 75 K C . 25625 1 153 . 1 1 75 75 LYS CA C 13 55.380 . . 1 . . . . 75 K CA . 25625 1 154 . 1 1 75 75 LYS CB C 13 31.010 . . 1 . . . . 75 K CB . 25625 1 155 . 1 1 75 75 LYS N N 15 128.300 . . 1 . . . . 75 K N . 25625 1 156 . 1 1 81 81 VAL C C 13 177.000 . . 1 . . . . 81 V C . 25625 1 157 . 1 1 81 81 VAL CA C 13 62.330 . . 1 . . . . 81 V CA . 25625 1 158 . 1 1 81 81 VAL CB C 13 30.850 . . 1 . . . . 81 V CB . 25625 1 159 . 1 1 82 82 ARG H H 1 8.516 . . 1 . . . . 82 R HN . 25625 1 160 . 1 1 82 82 ARG C C 13 174.900 . . 1 . . . . 82 R C . 25625 1 161 . 1 1 82 82 ARG CA C 13 53.470 . . 1 . . . . 82 R CA . 25625 1 162 . 1 1 82 82 ARG CB C 13 33.470 . . 1 . . . . 82 R CB . 25625 1 163 . 1 1 82 82 ARG N N 15 125.300 . . 1 . . . . 82 R N . 25625 1 164 . 1 1 83 83 ARG H H 1 8.589 . . 1 . . . . 83 R HN . 25625 1 165 . 1 1 83 83 ARG C C 13 175.000 . . 1 . . . . 83 R C . 25625 1 166 . 1 1 83 83 ARG CA C 13 54.790 . . 1 . . . . 83 R CA . 25625 1 167 . 1 1 83 83 ARG CB C 13 32.110 . . 1 . . . . 83 R CB . 25625 1 168 . 1 1 83 83 ARG N N 15 122.400 . . 1 . . . . 83 R N . 25625 1 169 . 1 1 84 84 ILE H H 1 9.322 . . 1 . . . . 84 I HN . 25625 1 170 . 1 1 84 84 ILE C C 13 174.800 . . 1 . . . . 84 I C . 25625 1 171 . 1 1 84 84 ILE CA C 13 59.070 . . 1 . . . . 84 I CA . 25625 1 172 . 1 1 84 84 ILE CB C 13 39.650 . . 1 . . . . 84 I CB . 25625 1 173 . 1 1 84 84 ILE N N 15 124.400 . . 1 . . . . 84 I N . 25625 1 174 . 1 1 85 85 ILE H H 1 9.086 . . 1 . . . . 85 I HN . 25625 1 175 . 1 1 85 85 ILE C C 13 175.600 . . 1 . . . . 85 I C . 25625 1 176 . 1 1 85 85 ILE CA C 13 59.160 . . 1 . . . . 85 I CA . 25625 1 177 . 1 1 85 85 ILE N N 15 124.500 . . 1 . . . . 85 I N . 25625 1 178 . 1 1 86 86 GLY H H 1 8.375 . . 1 . . . . 86 G HN . 25625 1 179 . 1 1 86 86 GLY CA C 13 43.580 . . 1 . . . . 86 G CA . 25625 1 180 . 1 1 86 86 GLY N N 15 109.100 . . 1 . . . . 86 G N . 25625 1 181 . 1 1 87 87 ASP H H 1 8.071 . . 1 . . . . 87 D HN . 25625 1 182 . 1 1 87 87 ASP CA C 13 54.660 . . 1 . . . . 87 D CA . 25625 1 183 . 1 1 87 87 ASP N N 15 116.900 . . 1 . . . . 87 D N . 25625 1 184 . 1 1 89 89 SER C C 13 176.300 . . 1 . . . . 89 S C . 25625 1 185 . 1 1 89 89 SER CA C 13 60.170 . . 1 . . . . 89 S CA . 25625 1 186 . 1 1 90 90 ASN H H 1 7.801 . . 1 . . . . 90 N HN . 25625 1 187 . 1 1 90 90 ASN C C 13 174.300 . . 1 . . . . 90 N C . 25625 1 188 . 1 1 90 90 ASN CA C 13 51.140 . . 1 . . . . 90 N CA . 25625 1 189 . 1 1 90 90 ASN CB C 13 35.670 . . 1 . . . . 90 N CB . 25625 1 190 . 1 1 90 90 ASN N N 15 120.700 . . 1 . . . . 90 N N . 25625 1 191 . 1 1 91 91 ARG H H 1 7.780 . . 1 . . . . 91 R HN . 25625 1 192 . 1 1 91 91 ARG C C 13 178.000 . . 1 . . . . 91 R C . 25625 1 193 . 1 1 91 91 ARG CA C 13 59.320 . . 1 . . . . 91 R CA . 25625 1 194 . 1 1 91 91 ARG CB C 13 29.730 . . 1 . . . . 91 R CB . 25625 1 195 . 1 1 91 91 ARG N N 15 125.100 . . 1 . . . . 91 R N . 25625 1 196 . 1 1 92 92 GLU H H 1 8.534 . . 1 . . . . 92 E HN . 25625 1 197 . 1 1 92 92 GLU C C 13 178.700 . . 1 . . . . 92 E C . 25625 1 198 . 1 1 92 92 GLU CA C 13 59.470 . . 1 . . . . 92 E CA . 25625 1 199 . 1 1 92 92 GLU CB C 13 28.360 . . 1 . . . . 92 E CB . 25625 1 200 . 1 1 92 92 GLU N N 15 118.100 . . 1 . . . . 92 E N . 25625 1 201 . 1 1 93 93 LYS H H 1 7.226 . . 1 . . . . 93 K HN . 25625 1 202 . 1 1 93 93 LYS CA C 13 58.710 . . 1 . . . . 93 K CA . 25625 1 203 . 1 1 93 93 LYS CB C 13 32.160 . . 1 . . . . 93 K CB . 25625 1 204 . 1 1 93 93 LYS N N 15 116.500 . . 1 . . . . 93 K N . 25625 1 205 . 1 1 104 104 GLU C C 13 176.800 . . 1 . . . . 104 E C . 25625 1 206 . 1 1 104 104 GLU CA C 13 56.220 . . 1 . . . . 104 E CA . 25625 1 207 . 1 1 104 104 GLU CB C 13 29.360 . . 1 . . . . 104 E CB . 25625 1 208 . 1 1 105 105 ILE H H 1 8.029 . . 1 . . . . 105 I HN . 25625 1 209 . 1 1 105 105 ILE C C 13 176.900 . . 1 . . . . 105 I C . 25625 1 210 . 1 1 105 105 ILE CA C 13 61.410 . . 1 . . . . 105 I CA . 25625 1 211 . 1 1 105 105 ILE CB C 13 37.750 . . 1 . . . . 105 I CB . 25625 1 212 . 1 1 105 105 ILE N N 15 121.900 . . 1 . . . . 105 I N . 25625 1 213 . 1 1 106 106 GLY H H 1 8.208 . . 1 . . . . 106 G HN . 25625 1 214 . 1 1 106 106 GLY C C 13 173.900 . . 1 . . . . 106 G C . 25625 1 215 . 1 1 106 106 GLY CA C 13 44.870 . . 1 . . . . 106 G CA . 25625 1 216 . 1 1 106 106 GLY N N 15 112.200 . . 1 . . . . 106 G N . 25625 1 217 . 1 1 113 113 LEU C C 13 178.300 . . 1 . . . . 113 L C . 25625 1 218 . 1 1 113 113 LEU CA C 13 55.220 . . 1 . . . . 113 L CA . 25625 1 219 . 1 1 113 113 LEU CB C 13 41.100 . . 1 . . . . 113 L CB . 25625 1 220 . 1 1 114 114 GLY H H 1 8.416 . . 1 . . . . 114 G HN . 25625 1 221 . 1 1 114 114 GLY C C 13 174.500 . . 1 . . . . 114 G C . 25625 1 222 . 1 1 114 114 GLY CA C 13 45.280 . . 1 . . . . 114 G CA . 25625 1 223 . 1 1 114 114 GLY N N 15 109.700 . . 1 . . . . 114 G N . 25625 1 224 . 1 1 115 115 LEU H H 1 7.953 . . 1 . . . . 115 L HN . 25625 1 225 . 1 1 115 115 LEU C C 13 177.800 . . 1 . . . . 115 L C . 25625 1 226 . 1 1 115 115 LEU CA C 13 54.920 . . 1 . . . . 115 L CA . 25625 1 227 . 1 1 115 115 LEU CB C 13 41.270 . . 1 . . . . 115 L CB . 25625 1 228 . 1 1 115 115 LEU N N 15 121.700 . . 1 . . . . 115 L N . 25625 1 229 . 1 1 116 116 GLU H H 1 8.353 . . 1 . . . . 116 E HN . 25625 1 230 . 1 1 116 116 GLU C C 13 176.100 . . 1 . . . . 116 E C . 25625 1 231 . 1 1 116 116 GLU CA C 13 56.160 . . 1 . . . . 116 E CA . 25625 1 232 . 1 1 116 116 GLU CB C 13 29.280 . . 1 . . . . 116 E CB . 25625 1 233 . 1 1 116 116 GLU N N 15 121.700 . . 1 . . . . 116 E N . 25625 1 234 . 1 1 117 117 ASP H H 1 8.137 . . 1 . . . . 117 D HN . 25625 1 235 . 1 1 117 117 ASP C C 13 175.700 . . 1 . . . . 117 D C . 25625 1 236 . 1 1 117 117 ASP CA C 13 53.900 . . 1 . . . . 117 D CA . 25625 1 237 . 1 1 117 117 ASP CB C 13 40.590 . . 1 . . . . 117 D CB . 25625 1 238 . 1 1 117 117 ASP N N 15 121.700 . . 1 . . . . 117 D N . 25625 1 239 . 1 1 118 118 TYR H H 1 7.996 . . 1 . . . . 118 Y HN . 25625 1 240 . 1 1 118 118 TYR C C 13 175.400 . . 1 . . . . 118 Y C . 25625 1 241 . 1 1 118 118 TYR CA C 13 57.690 . . 1 . . . . 118 Y CA . 25625 1 242 . 1 1 118 118 TYR CB C 13 37.860 . . 1 . . . . 118 Y CB . 25625 1 243 . 1 1 118 118 TYR N N 15 121.600 . . 1 . . . . 118 Y N . 25625 1 244 . 1 1 119 119 LYS H H 1 7.952 . . 1 . . . . 119 K HN . 25625 1 245 . 1 1 119 119 LYS C C 13 175.700 . . 1 . . . . 119 K C . 25625 1 246 . 1 1 119 119 LYS CA C 13 55.310 . . 1 . . . . 119 K CA . 25625 1 247 . 1 1 119 119 LYS CB C 13 32.540 . . 1 . . . . 119 K CB . 25625 1 248 . 1 1 119 119 LYS N N 15 124.800 . . 1 . . . . 119 K N . 25625 1 249 . 1 1 120 120 ASP H H 1 8.232 . . 1 . . . . 120 D HN . 25625 1 250 . 1 1 120 120 ASP C C 13 176.100 . . 1 . . . . 120 D C . 25625 1 251 . 1 1 120 120 ASP CA C 13 53.950 . . 1 . . . . 120 D CA . 25625 1 252 . 1 1 120 120 ASP CB C 13 40.810 . . 1 . . . . 120 D CB . 25625 1 253 . 1 1 120 120 ASP N N 15 122.800 . . 1 . . . . 120 D N . 25625 1 stop_ save_