################################### # 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_chemical_shifts _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts _Assigned_chem_shift_list.Entry_ID 4874 _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 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _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 $Typical_sample . 4874 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 1 1 GLU CA C 13 57.582 0.200 . 1 . . . . . . . . 4874 1 2 . 1 1 1 1 GLU CB C 13 30.111 0.300 . 1 . . . . . . . . 4874 1 3 . 1 1 1 1 GLU C C 13 177.008 0.100 . 1 . . . . . . . . 4874 1 4 . 1 1 1 1 GLU H H 1 8.902 0.030 . 1 . . . . . . . . 4874 1 5 . 1 1 1 1 GLU N N 15 123.045 0.200 . 1 . . . . . . . . 4874 1 6 . 1 1 2 2 SER CA C 13 58.802 0.200 . 1 . . . . . . . . 4874 1 7 . 1 1 2 2 SER CB C 13 64.062 0.300 . 1 . . . . . . . . 4874 1 8 . 1 1 2 2 SER C C 13 174.483 0.100 . 1 . . . . . . . . 4874 1 9 . 1 1 2 2 SER H H 1 8.277 0.030 . 1 . . . . . . . . 4874 1 10 . 1 1 2 2 SER N N 15 115.643 0.200 . 1 . . . . . . . . 4874 1 11 . 1 1 3 3 ASP CA C 13 54.787 0.200 . 1 . . . . . . . . 4874 1 12 . 1 1 3 3 ASP CB C 13 41.618 0.300 . 1 . . . . . . . . 4874 1 13 . 1 1 3 3 ASP C C 13 176.495 0.100 . 1 . . . . . . . . 4874 1 14 . 1 1 3 3 ASP H H 1 8.210 0.030 . 1 . . . . . . . . 4874 1 15 . 1 1 3 3 ASP N N 15 122.305 0.200 . 1 . . . . . . . . 4874 1 16 . 1 1 4 4 SER CA C 13 58.511 0.200 . 1 . . . . . . . . 4874 1 17 . 1 1 4 4 SER CB C 13 64.403 0.300 . 1 . . . . . . . . 4874 1 18 . 1 1 4 4 SER C C 13 175.144 0.100 . 1 . . . . . . . . 4874 1 19 . 1 1 4 4 SER H H 1 8.214 0.030 . 1 . . . . . . . . 4874 1 20 . 1 1 4 4 SER N N 15 115.766 0.200 . 1 . . . . . . . . 4874 1 21 . 1 1 5 5 VAL CA C 13 63.972 0.200 . 1 . . . . . . . . 4874 1 22 . 1 1 5 5 VAL CB C 13 32.913 0.300 . 1 . . . . . . . . 4874 1 23 . 1 1 5 5 VAL C C 13 176.880 0.100 . 1 . . . . . . . . 4874 1 24 . 1 1 5 5 VAL H H 1 8.258 0.030 . 1 . . . . . . . . 4874 1 25 . 1 1 5 5 VAL N N 15 122.922 0.200 . 1 . . . . . . . . 4874 1 26 . 1 1 6 6 GLU CA C 13 58.206 0.200 . 1 . . . . . . . . 4874 1 27 . 1 1 6 6 GLU CB C 13 30.339 0.300 . 1 . . . . . . . . 4874 1 28 . 1 1 6 6 GLU C C 13 177.479 0.100 . 1 . . . . . . . . 4874 1 29 . 1 1 6 6 GLU H H 1 8.492 0.030 . 1 . . . . . . . . 4874 1 30 . 1 1 6 6 GLU N N 15 122.181 0.200 . 1 . . . . . . . . 4874 1 31 . 1 1 7 7 PHE CA C 13 59.354 0.200 . 1 . . . . . . . . 4874 1 32 . 1 1 7 7 PHE CB C 13 39.877 0.300 . 1 . . . . . . . . 4874 1 33 . 1 1 7 7 PHE C C 13 176.066 0.100 . 1 . . . . . . . . 4874 1 34 . 1 1 7 7 PHE H H 1 8.255 0.030 . 1 . . . . . . . . 4874 1 35 . 1 1 7 7 PHE N N 15 121.071 0.200 . 1 . . . . . . . . 4874 1 36 . 1 1 8 8 ASN CA C 13 54.811 0.200 . 1 . . . . . . . . 4874 1 37 . 1 1 8 8 ASN CB C 13 39.044 0.300 . 1 . . . . . . . . 4874 1 38 . 1 1 8 8 ASN C C 13 176.773 0.100 . 1 . . . . . . . . 4874 1 39 . 1 1 8 8 ASN H H 1 8.295 0.030 . 1 . . . . . . . . 4874 1 40 . 1 1 8 8 ASN N N 15 119.221 0.200 . 1 . . . . . . . . 4874 1 41 . 1 1 9 9 ASN CA C 13 54.972 0.200 . 1 . . . . . . . . 4874 1 42 . 1 1 9 9 ASN CB C 13 38.854 0.300 . 1 . . . . . . . . 4874 1 43 . 1 1 9 9 ASN C C 13 177.008 0.100 . 1 . . . . . . . . 4874 1 44 . 1 1 9 9 ASN H H 1 8.647 0.030 . 1 . . . . . . . . 4874 1 45 . 1 1 9 9 ASN N N 15 119.961 0.200 . 1 . . . . . . . . 4874 1 46 . 1 1 10 10 ALA CA C 13 55.200 0.200 . 1 . . . . . . . . 4874 1 47 . 1 1 10 10 ALA CB C 13 18.997 0.300 . 1 . . . . . . . . 4874 1 48 . 1 1 10 10 ALA C C 13 178.972 0.100 . 1 . . . . . . . . 4874 1 49 . 1 1 10 10 ALA H H 1 8.354 0.030 . 1 . . . . . . . . 4874 1 50 . 1 1 10 10 ALA N N 15 124.772 0.200 . 1 . . . . . . . . 4874 1 51 . 1 1 11 11 ILE CA C 13 63.110 0.200 . 1 . . . . . . . . 4874 1 52 . 1 1 11 11 ILE CB C 13 38.086 0.300 . 1 . . . . . . . . 4874 1 53 . 1 1 11 11 ILE C C 13 178.283 0.100 . 1 . . . . . . . . 4874 1 54 . 1 1 11 11 ILE H H 1 8.100 0.030 . 1 . . . . . . . . 4874 1 55 . 1 1 11 11 ILE N N 15 118.234 0.200 . 1 . . . . . . . . 4874 1 56 . 1 1 12 12 SER CA C 13 61.516 0.200 . 1 . . . . . . . . 4874 1 57 . 1 1 12 12 SER C C 13 176.923 0.100 . 1 . . . . . . . . 4874 1 58 . 1 1 12 12 SER H H 1 8.186 0.030 . 1 . . . . . . . . 4874 1 59 . 1 1 12 12 SER N N 15 116.753 0.200 . 1 . . . . . . . . 4874 1 60 . 1 1 13 13 TYR CA C 13 61.641 0.200 . 1 . . . . . . . . 4874 1 61 . 1 1 13 13 TYR CB C 13 41.919 0.300 . 1 . . . . . . . . 4874 1 62 . 1 1 13 13 TYR C C 13 176.976 0.100 . 1 . . . . . . . . 4874 1 63 . 1 1 13 13 TYR H H 1 8.092 0.030 . 1 . . . . . . . . 4874 1 64 . 1 1 13 13 TYR N N 15 123.785 0.200 . 1 . . . . . . . . 4874 1 65 . 1 1 14 14 VAL CA C 13 67.305 0.200 . 1 . . . . . . . . 4874 1 66 . 1 1 14 14 VAL CB C 13 30.169 0.300 . 1 . . . . . . . . 4874 1 67 . 1 1 14 14 VAL C C 13 178.018 0.100 . 1 . . . . . . . . 4874 1 68 . 1 1 14 14 VAL H H 1 8.279 0.030 . 1 . . . . . . . . 4874 1 69 . 1 1 14 14 VAL N N 15 115.520 0.200 . 1 . . . . . . . . 4874 1 70 . 1 1 15 15 ASN CA C 13 56.075 0.200 . 1 . . . . . . . . 4874 1 71 . 1 1 15 15 ASN CB C 13 38.614 0.300 . 1 . . . . . . . . 4874 1 72 . 1 1 15 15 ASN C C 13 177.718 0.100 . 1 . . . . . . . . 4874 1 73 . 1 1 15 15 ASN H H 1 8.197 0.030 . 1 . . . . . . . . 4874 1 74 . 1 1 15 15 ASN N N 15 117.370 0.200 . 1 . . . . . . . . 4874 1 75 . 1 1 16 16 LYS CA C 13 59.873 0.200 . 1 . . . . . . . . 4874 1 76 . 1 1 16 16 LYS CB C 13 32.582 0.300 . 1 . . . . . . . . 4874 1 77 . 1 1 16 16 LYS C C 13 178.831 0.100 . 1 . . . . . . . . 4874 1 78 . 1 1 16 16 LYS H H 1 8.010 0.030 . 1 . . . . . . . . 4874 1 79 . 1 1 16 16 LYS N N 15 123.785 0.200 . 1 . . . . . . . . 4874 1 80 . 1 1 17 17 ILE CA C 13 64.105 0.200 . 1 . . . . . . . . 4874 1 81 . 1 1 17 17 ILE CB C 13 37.062 0.300 . 1 . . . . . . . . 4874 1 82 . 1 1 17 17 ILE C C 13 177.259 0.100 . 1 . . . . . . . . 4874 1 83 . 1 1 17 17 ILE H H 1 7.625 0.030 . 1 . . . . . . . . 4874 1 84 . 1 1 17 17 ILE N N 15 120.207 0.200 . 1 . . . . . . . . 4874 1 85 . 1 1 18 18 LYS CA C 13 59.856 0.200 . 1 . . . . . . . . 4874 1 86 . 1 1 18 18 LYS CB C 13 32.931 0.300 . 1 . . . . . . . . 4874 1 87 . 1 1 18 18 LYS C C 13 179.449 0.100 . 1 . . . . . . . . 4874 1 88 . 1 1 18 18 LYS H H 1 8.058 0.030 . 1 . . . . . . . . 4874 1 89 . 1 1 18 18 LYS N N 15 119.714 0.200 . 1 . . . . . . . . 4874 1 90 . 1 1 19 19 THR CA C 13 65.747 0.200 . 1 . . . . . . . . 4874 1 91 . 1 1 19 19 THR CB C 13 69.508 0.300 . 1 . . . . . . . . 4874 1 92 . 1 1 19 19 THR C C 13 176.587 0.100 . 1 . . . . . . . . 4874 1 93 . 1 1 19 19 THR H H 1 7.893 0.030 . 1 . . . . . . . . 4874 1 94 . 1 1 19 19 THR N N 15 111.325 0.200 . 1 . . . . . . . . 4874 1 95 . 1 1 20 20 ARG CA C 13 56.416 0.200 . 1 . . . . . . . . 4874 1 96 . 1 1 20 20 ARG CB C 13 28.350 0.300 . 1 . . . . . . . . 4874 1 97 . 1 1 20 20 ARG C C 13 177.276 0.100 . 1 . . . . . . . . 4874 1 98 . 1 1 20 20 ARG H H 1 8.090 0.030 . 1 . . . . . . . . 4874 1 99 . 1 1 20 20 ARG N N 15 123.415 0.200 . 1 . . . . . . . . 4874 1 100 . 1 1 21 21 PHE CA C 13 57.195 0.200 . 1 . . . . . . . . 4874 1 101 . 1 1 21 21 PHE CB C 13 38.039 0.300 . 1 . . . . . . . . 4874 1 102 . 1 1 21 21 PHE C C 13 177.753 0.100 . 1 . . . . . . . . 4874 1 103 . 1 1 21 21 PHE H H 1 7.348 0.030 . 1 . . . . . . . . 4874 1 104 . 1 1 21 21 PHE N N 15 113.669 0.200 . 1 . . . . . . . . 4874 1 105 . 1 1 22 22 LEU CA C 13 58.969 0.200 . 1 . . . . . . . . 4874 1 106 . 1 1 22 22 LEU CB C 13 42.770 0.300 . 1 . . . . . . . . 4874 1 107 . 1 1 22 22 LEU C C 13 178.230 0.100 . 1 . . . . . . . . 4874 1 108 . 1 1 22 22 LEU H H 1 7.243 0.030 . 1 . . . . . . . . 4874 1 109 . 1 1 22 22 LEU N N 15 126.006 0.200 . 1 . . . . . . . . 4874 1 110 . 1 1 23 23 ASP CA C 13 54.235 0.200 . 1 . . . . . . . . 4874 1 111 . 1 1 23 23 ASP CB C 13 40.742 0.300 . 1 . . . . . . . . 4874 1 112 . 1 1 23 23 ASP C C 13 175.651 0.100 . 1 . . . . . . . . 4874 1 113 . 1 1 23 23 ASP H H 1 8.666 0.030 . 1 . . . . . . . . 4874 1 114 . 1 1 23 23 ASP N N 15 113.176 0.200 . 1 . . . . . . . . 4874 1 115 . 1 1 24 24 HIS CA C 13 54.073 0.200 . 1 . . . . . . . . 4874 1 116 . 1 1 24 24 HIS CB C 13 31.054 0.300 . 1 . . . . . . . . 4874 1 117 . 1 1 24 24 HIS H H 1 7.761 0.030 . 1 . . . . . . . . 4874 1 118 . 1 1 24 24 HIS N N 15 117.247 0.200 . 1 . . . . . . . . 4874 1 119 . 1 1 25 25 PRO CA C 13 65.276 0.200 . 1 . . . . . . . . 4874 1 120 . 1 1 25 25 PRO C C 13 177.559 0.100 . 1 . . . . . . . . 4874 1 121 . 1 1 26 26 GLU CA C 13 59.405 0.200 . 1 . . . . . . . . 4874 1 122 . 1 1 26 26 GLU CB C 13 27.531 0.300 . 1 . . . . . . . . 4874 1 123 . 1 1 26 26 GLU C C 13 178.813 0.100 . 1 . . . . . . . . 4874 1 124 . 1 1 26 26 GLU H H 1 10.290 0.030 . 1 . . . . . . . . 4874 1 125 . 1 1 26 26 GLU N N 15 121.564 0.200 . 1 . . . . . . . . 4874 1 126 . 1 1 27 27 ILE CA C 13 64.474 0.200 . 1 . . . . . . . . 4874 1 127 . 1 1 27 27 ILE CB C 13 37.319 0.300 . 1 . . . . . . . . 4874 1 128 . 1 1 27 27 ILE C C 13 177.683 0.100 . 1 . . . . . . . . 4874 1 129 . 1 1 27 27 ILE H H 1 8.150 0.030 . 1 . . . . . . . . 4874 1 130 . 1 1 27 27 ILE N N 15 123.168 0.200 . 1 . . . . . . . . 4874 1 131 . 1 1 28 28 TYR CA C 13 60.991 0.200 . 1 . . . . . . . . 4874 1 132 . 1 1 28 28 TYR CB C 13 38.836 0.300 . 1 . . . . . . . . 4874 1 133 . 1 1 28 28 TYR C C 13 176.623 0.100 . 1 . . . . . . . . 4874 1 134 . 1 1 28 28 TYR H H 1 6.806 0.030 . 1 . . . . . . . . 4874 1 135 . 1 1 28 28 TYR N N 15 119.591 0.200 . 1 . . . . . . . . 4874 1 136 . 1 1 29 29 ARG CA C 13 59.936 0.200 . 1 . . . . . . . . 4874 1 137 . 1 1 29 29 ARG CB C 13 30.287 0.300 . 1 . . . . . . . . 4874 1 138 . 1 1 29 29 ARG C C 13 179.414 0.100 . 1 . . . . . . . . 4874 1 139 . 1 1 29 29 ARG H H 1 8.401 0.030 . 1 . . . . . . . . 4874 1 140 . 1 1 29 29 ARG N N 15 117.370 0.200 . 1 . . . . . . . . 4874 1 141 . 1 1 30 30 SER CA C 13 62.674 0.200 . 1 . . . . . . . . 4874 1 142 . 1 1 30 30 SER CB C 13 63.000 0.500 . 1 . . . . . . . . 4874 1 143 . 1 1 30 30 SER C C 13 175.863 0.100 . 1 . . . . . . . . 4874 1 144 . 1 1 30 30 SER H H 1 8.176 0.030 . 1 . . . . . . . . 4874 1 145 . 1 1 30 30 SER N N 15 116.507 0.200 . 1 . . . . . . . . 4874 1 146 . 1 1 31 31 PHE CA C 13 61.408 0.200 . 1 . . . . . . . . 4874 1 147 . 1 1 31 31 PHE CB C 13 38.890 0.300 . 1 . . . . . . . . 4874 1 148 . 1 1 31 31 PHE C C 13 175.810 0.100 . 1 . . . . . . . . 4874 1 149 . 1 1 31 31 PHE H H 1 8.245 0.030 . 1 . . . . . . . . 4874 1 150 . 1 1 31 31 PHE N N 15 123.415 0.200 . 1 . . . . . . . . 4874 1 151 . 1 1 32 32 LEU CA C 13 57.651 0.200 . 1 . . . . . . . . 4874 1 152 . 1 1 32 32 LEU CB C 13 42.033 0.300 . 1 . . . . . . . . 4874 1 153 . 1 1 32 32 LEU C C 13 179.325 0.100 . 1 . . . . . . . . 4874 1 154 . 1 1 32 32 LEU H H 1 7.967 0.030 . 1 . . . . . . . . 4874 1 155 . 1 1 32 32 LEU N N 15 117.740 0.200 . 1 . . . . . . . . 4874 1 156 . 1 1 33 33 GLU CA C 13 59.616 0.200 . 1 . . . . . . . . 4874 1 157 . 1 1 33 33 GLU CB C 13 29.988 0.300 . 1 . . . . . . . . 4874 1 158 . 1 1 33 33 GLU C C 13 179.661 0.100 . 1 . . . . . . . . 4874 1 159 . 1 1 33 33 GLU H H 1 7.885 0.030 . 1 . . . . . . . . 4874 1 160 . 1 1 33 33 GLU N N 15 119.097 0.200 . 1 . . . . . . . . 4874 1 161 . 1 1 34 34 ILE CA C 13 65.149 0.200 . 1 . . . . . . . . 4874 1 162 . 1 1 34 34 ILE CB C 13 38.367 0.300 . 1 . . . . . . . . 4874 1 163 . 1 1 34 34 ILE C C 13 178.089 0.100 . 1 . . . . . . . . 4874 1 164 . 1 1 34 34 ILE H H 1 7.975 0.030 . 1 . . . . . . . . 4874 1 165 . 1 1 34 34 ILE N N 15 122.305 0.200 . 1 . . . . . . . . 4874 1 166 . 1 1 35 35 LEU CA C 13 57.700 0.200 . 1 . . . . . . . . 4874 1 167 . 1 1 35 35 LEU CB C 13 41.658 0.300 . 1 . . . . . . . . 4874 1 168 . 1 1 35 35 LEU C C 13 178.902 0.100 . 1 . . . . . . . . 4874 1 169 . 1 1 35 35 LEU H H 1 7.791 0.030 . 1 . . . . . . . . 4874 1 170 . 1 1 35 35 LEU N N 15 119.467 0.200 . 1 . . . . . . . . 4874 1 171 . 1 1 36 36 HIS CA C 13 58.695 0.200 . 1 . . . . . . . . 4874 1 172 . 1 1 36 36 HIS CB C 13 29.763 0.300 . 1 . . . . . . . . 4874 1 173 . 1 1 36 36 HIS C C 13 177.736 0.100 . 1 . . . . . . . . 4874 1 174 . 1 1 36 36 HIS H H 1 8.626 0.030 . 1 . . . . . . . . 4874 1 175 . 1 1 36 36 HIS N N 15 117.740 0.200 . 1 . . . . . . . . 4874 1 176 . 1 1 37 37 THR CA C 13 66.929 0.200 . 1 . . . . . . . . 4874 1 177 . 1 1 37 37 THR CB C 13 68.873 0.300 . 1 . . . . . . . . 4874 1 178 . 1 1 37 37 THR C C 13 175.634 0.100 . 1 . . . . . . . . 4874 1 179 . 1 1 37 37 THR H H 1 8.337 0.030 . 1 . . . . . . . . 4874 1 180 . 1 1 37 37 THR N N 15 117.370 0.200 . 1 . . . . . . . . 4874 1 181 . 1 1 38 38 TYR CA C 13 61.010 0.200 . 1 . . . . . . . . 4874 1 182 . 1 1 38 38 TYR CB C 13 39.066 0.300 . 1 . . . . . . . . 4874 1 183 . 1 1 38 38 TYR C C 13 177.188 0.100 . 1 . . . . . . . . 4874 1 184 . 1 1 38 38 TYR H H 1 8.272 0.030 . 1 . . . . . . . . 4874 1 185 . 1 1 38 38 TYR N N 15 122.181 0.200 . 1 . . . . . . . . 4874 1 186 . 1 1 39 39 GLN CA C 13 58.525 0.200 . 1 . . . . . . . . 4874 1 187 . 1 1 39 39 GLN CB C 13 29.454 0.300 . 1 . . . . . . . . 4874 1 188 . 1 1 39 39 GLN C C 13 177.930 0.100 . 1 . . . . . . . . 4874 1 189 . 1 1 39 39 GLN H H 1 8.323 0.030 . 1 . . . . . . . . 4874 1 190 . 1 1 39 39 GLN N N 15 117.370 0.200 . 1 . . . . . . . . 4874 1 191 . 1 1 40 40 LYS CA C 13 58.692 0.200 . 1 . . . . . . . . 4874 1 192 . 1 1 40 40 LYS CB C 13 32.807 0.300 . 1 . . . . . . . . 4874 1 193 . 1 1 40 40 LYS C C 13 178.336 0.100 . 1 . . . . . . . . 4874 1 194 . 1 1 40 40 LYS H H 1 7.967 0.030 . 1 . . . . . . . . 4874 1 195 . 1 1 40 40 LYS N N 15 119.467 0.200 . 1 . . . . . . . . 4874 1 196 . 1 1 41 41 GLU CA C 13 57.687 0.200 . 1 . . . . . . . . 4874 1 197 . 1 1 41 41 GLU CB C 13 30.050 0.300 . 1 . . . . . . . . 4874 1 198 . 1 1 41 41 GLU C C 13 177.559 0.100 . 1 . . . . . . . . 4874 1 199 . 1 1 41 41 GLU H H 1 8.042 0.030 . 1 . . . . . . . . 4874 1 200 . 1 1 41 41 GLU N N 15 118.974 0.200 . 1 . . . . . . . . 4874 1 201 . 1 1 42 42 GLN CA C 13 56.160 0.200 . 1 . . . . . . . . 4874 1 202 . 1 1 42 42 GLN CB C 13 29.305 0.300 . 1 . . . . . . . . 4874 1 203 . 1 1 42 42 GLN C C 13 176.605 0.100 . 1 . . . . . . . . 4874 1 204 . 1 1 42 42 GLN H H 1 7.863 0.030 . 1 . . . . . . . . 4874 1 205 . 1 1 42 42 GLN N N 15 117.740 0.200 . 1 . . . . . . . . 4874 1 206 . 1 1 43 43 LEU CA C 13 55.643 0.200 . 1 . . . . . . . . 4874 1 207 . 1 1 43 43 LEU CB C 13 42.718 0.300 . 1 . . . . . . . . 4874 1 208 . 1 1 43 43 LEU C C 13 177.276 0.100 . 1 . . . . . . . . 4874 1 209 . 1 1 43 43 LEU H H 1 7.720 0.030 . 1 . . . . . . . . 4874 1 210 . 1 1 43 43 LEU N N 15 120.207 0.200 . 1 . . . . . . . . 4874 1 211 . 1 1 44 44 HIS CA C 13 55.979 0.200 . 1 . . . . . . . . 4874 1 212 . 1 1 44 44 HIS CB C 13 30.050 0.300 . 1 . . . . . . . . 4874 1 213 . 1 1 44 44 HIS C C 13 175.351 0.100 . 1 . . . . . . . . 4874 1 214 . 1 1 44 44 HIS H H 1 8.211 0.030 . 1 . . . . . . . . 4874 1 215 . 1 1 44 44 HIS N N 15 119.221 0.200 . 1 . . . . . . . . 4874 1 216 . 1 1 45 45 THR CA C 13 62.096 0.200 . 1 . . . . . . . . 4874 1 217 . 1 1 45 45 THR CB C 13 70.587 0.300 . 1 . . . . . . . . 4874 1 218 . 1 1 45 45 THR C C 13 174.715 0.100 . 1 . . . . . . . . 4874 1 219 . 1 1 45 45 THR H H 1 8.167 0.030 . 1 . . . . . . . . 4874 1 220 . 1 1 45 45 THR N N 15 115.520 0.200 . 1 . . . . . . . . 4874 1 221 . 1 1 46 46 LYS CA C 13 57.214 0.200 . 1 . . . . . . . . 4874 1 222 . 1 1 46 46 LYS CB C 13 32.882 0.300 . 1 . . . . . . . . 4874 1 223 . 1 1 46 46 LYS C C 13 177.294 0.100 . 1 . . . . . . . . 4874 1 224 . 1 1 46 46 LYS H H 1 8.405 0.030 . 1 . . . . . . . . 4874 1 225 . 1 1 46 46 LYS N N 15 123.785 0.200 . 1 . . . . . . . . 4874 1 226 . 1 1 47 47 GLY CA C 13 45.369 0.200 . 1 . . . . . . . . 4874 1 227 . 1 1 47 47 GLY C C 13 173.849 0.100 . 1 . . . . . . . . 4874 1 228 . 1 1 47 47 GLY H H 1 8.632 0.030 . 1 . . . . . . . . 4874 1 229 . 1 1 47 47 GLY N N 15 110.585 0.200 . 1 . . . . . . . . 4874 1 230 . 1 1 48 48 ARG CA C 13 53.784 0.200 . 1 . . . . . . . . 4874 1 231 . 1 1 48 48 ARG CB C 13 30.707 0.300 . 1 . . . . . . . . 4874 1 232 . 1 1 48 48 ARG H H 1 7.916 0.030 . 1 . . . . . . . . 4874 1 233 . 1 1 48 48 ARG N N 15 120.824 0.200 . 1 . . . . . . . . 4874 1 234 . 1 1 49 49 PRO CA C 13 63.330 0.200 . 1 . . . . . . . . 4874 1 235 . 1 1 49 49 PRO C C 13 176.305 0.100 . 1 . . . . . . . . 4874 1 236 . 1 1 50 50 PHE CA C 13 57.604 0.200 . 1 . . . . . . . . 4874 1 237 . 1 1 50 50 PHE CB C 13 40.281 0.300 . 1 . . . . . . . . 4874 1 238 . 1 1 50 50 PHE C C 13 175.210 0.100 . 1 . . . . . . . . 4874 1 239 . 1 1 50 50 PHE H H 1 8.260 0.030 . 1 . . . . . . . . 4874 1 240 . 1 1 50 50 PHE N N 15 120.701 0.200 . 1 . . . . . . . . 4874 1 241 . 1 1 51 51 ARG CA C 13 55.844 0.200 . 1 . . . . . . . . 4874 1 242 . 1 1 51 51 ARG CB C 13 31.301 0.300 . 1 . . . . . . . . 4874 1 243 . 1 1 51 51 ARG C C 13 175.952 0.100 . 1 . . . . . . . . 4874 1 244 . 1 1 51 51 ARG H H 1 8.321 0.030 . 1 . . . . . . . . 4874 1 245 . 1 1 51 51 ARG N N 15 124.032 0.200 . 1 . . . . . . . . 4874 1 246 . 1 1 52 52 GLY CA C 13 44.940 0.200 . 1 . . . . . . . . 4874 1 247 . 1 1 52 52 GLY C C 13 173.408 0.100 . 1 . . . . . . . . 4874 1 248 . 1 1 52 52 GLY H H 1 7.797 0.030 . 1 . . . . . . . . 4874 1 249 . 1 1 52 52 GLY N N 15 109.845 0.200 . 1 . . . . . . . . 4874 1 250 . 1 1 53 53 MET CA C 13 56.355 0.200 . 1 . . . . . . . . 4874 1 251 . 1 1 53 53 MET C C 13 175.899 0.100 . 1 . . . . . . . . 4874 1 252 . 1 1 53 53 MET H H 1 8.796 0.030 . 1 . . . . . . . . 4874 1 253 . 1 1 53 53 MET N N 15 121.549 0.200 . 1 . . . . . . . . 4874 1 254 . 1 1 54 54 SER CA C 13 57.514 0.200 . 1 . . . . . . . . 4874 1 255 . 1 1 54 54 SER CB C 13 66.184 0.300 . 1 . . . . . . . . 4874 1 256 . 1 1 54 54 SER C C 13 175.139 0.100 . 1 . . . . . . . . 4874 1 257 . 1 1 54 54 SER H H 1 8.945 0.030 . 1 . . . . . . . . 4874 1 258 . 1 1 54 54 SER N N 15 120.454 0.200 . 1 . . . . . . . . 4874 1 259 . 1 1 55 55 GLU CA C 13 60.693 0.200 . 1 . . . . . . . . 4874 1 260 . 1 1 55 55 GLU CB C 13 29.891 0.300 . 1 . . . . . . . . 4874 1 261 . 1 1 55 55 GLU C C 13 178.266 0.100 . 1 . . . . . . . . 4874 1 262 . 1 1 55 55 GLU H H 1 9.017 0.030 . 1 . . . . . . . . 4874 1 263 . 1 1 55 55 GLU N N 15 121.318 0.200 . 1 . . . . . . . . 4874 1 264 . 1 1 56 56 GLU CA C 13 60.058 0.200 . 1 . . . . . . . . 4874 1 265 . 1 1 56 56 GLU CB C 13 29.742 0.300 . 1 . . . . . . . . 4874 1 266 . 1 1 56 56 GLU C C 13 173.885 0.100 . 1 . . . . . . . . 4874 1 267 . 1 1 56 56 GLU H H 1 8.689 0.030 . 1 . . . . . . . . 4874 1 268 . 1 1 56 56 GLU N N 15 118.480 0.200 . 1 . . . . . . . . 4874 1 269 . 1 1 57 57 GLU CA C 13 59.486 0.200 . 1 . . . . . . . . 4874 1 270 . 1 1 57 57 GLU CB C 13 30.633 0.300 . 1 . . . . . . . . 4874 1 271 . 1 1 57 57 GLU C C 13 179.096 0.100 . 1 . . . . . . . . 4874 1 272 . 1 1 57 57 GLU H H 1 7.921 0.030 . 1 . . . . . . . . 4874 1 273 . 1 1 57 57 GLU N N 15 120.948 0.200 . 1 . . . . . . . . 4874 1 274 . 1 1 58 58 VAL CA C 13 66.480 0.200 . 1 . . . . . . . . 4874 1 275 . 1 1 58 58 VAL CB C 13 31.360 0.300 . 1 . . . . . . . . 4874 1 276 . 1 1 58 58 VAL C C 13 177.206 0.100 . 1 . . . . . . . . 4874 1 277 . 1 1 58 58 VAL H H 1 8.135 0.030 . 1 . . . . . . . . 4874 1 278 . 1 1 58 58 VAL N N 15 120.454 0.200 . 1 . . . . . . . . 4874 1 279 . 1 1 59 59 PHE CA C 13 62.319 0.200 . 1 . . . . . . . . 4874 1 280 . 1 1 59 59 PHE CB C 13 39.049 0.300 . 1 . . . . . . . . 4874 1 281 . 1 1 59 59 PHE C C 13 177.789 0.100 . 1 . . . . . . . . 4874 1 282 . 1 1 59 59 PHE H H 1 8.256 0.030 . 1 . . . . . . . . 4874 1 283 . 1 1 59 59 PHE N N 15 119.467 0.200 . 1 . . . . . . . . 4874 1 284 . 1 1 60 60 THR CA C 13 66.932 0.200 . 1 . . . . . . . . 4874 1 285 . 1 1 60 60 THR CB C 13 69.284 0.300 . 1 . . . . . . . . 4874 1 286 . 1 1 60 60 THR C C 13 176.234 0.100 . 1 . . . . . . . . 4874 1 287 . 1 1 60 60 THR H H 1 8.216 0.030 . 1 . . . . . . . . 4874 1 288 . 1 1 60 60 THR N N 15 115.766 0.200 . 1 . . . . . . . . 4874 1 289 . 1 1 61 61 GLU CA C 13 59.265 0.200 . 1 . . . . . . . . 4874 1 290 . 1 1 61 61 GLU CB C 13 29.808 0.300 . 1 . . . . . . . . 4874 1 291 . 1 1 61 61 GLU C C 13 180.067 0.100 . 1 . . . . . . . . 4874 1 292 . 1 1 61 61 GLU H H 1 7.975 0.030 . 1 . . . . . . . . 4874 1 293 . 1 1 61 61 GLU N N 15 120.578 0.200 . 1 . . . . . . . . 4874 1 294 . 1 1 62 62 VAL CA C 13 66.678 0.200 . 1 . . . . . . . . 4874 1 295 . 1 1 62 62 VAL CB C 13 40.305 0.300 . 1 . . . . . . . . 4874 1 296 . 1 1 62 62 VAL C C 13 176.587 0.100 . 1 . . . . . . . . 4874 1 297 . 1 1 62 62 VAL H H 1 8.275 0.030 . 1 . . . . . . . . 4874 1 298 . 1 1 62 62 VAL N N 15 120.824 0.200 . 1 . . . . . . . . 4874 1 299 . 1 1 63 63 ALA CA C 13 55.231 0.200 . 1 . . . . . . . . 4874 1 300 . 1 1 63 63 ALA CB C 13 18.128 0.300 . 1 . . . . . . . . 4874 1 301 . 1 1 63 63 ALA C C 13 180.067 0.100 . 1 . . . . . . . . 4874 1 302 . 1 1 63 63 ALA H H 1 8.451 0.030 . 1 . . . . . . . . 4874 1 303 . 1 1 63 63 ALA N N 15 122.181 0.200 . 1 . . . . . . . . 4874 1 304 . 1 1 64 64 ASN CA C 13 55.540 0.200 . 1 . . . . . . . . 4874 1 305 . 1 1 64 64 ASN CB C 13 39.049 0.300 . 1 . . . . . . . . 4874 1 306 . 1 1 64 64 ASN C C 13 177.700 0.100 . 1 . . . . . . . . 4874 1 307 . 1 1 64 64 ASN H H 1 7.451 0.030 . 1 . . . . . . . . 4874 1 308 . 1 1 64 64 ASN N N 15 114.286 0.200 . 1 . . . . . . . . 4874 1 309 . 1 1 65 65 LEU CA C 13 57.222 0.200 . 1 . . . . . . . . 4874 1 310 . 1 1 65 65 LEU CB C 13 42.893 0.300 . 1 . . . . . . . . 4874 1 311 . 1 1 65 65 LEU C C 13 178.425 0.100 . 1 . . . . . . . . 4874 1 312 . 1 1 65 65 LEU H H 1 7.631 0.030 . 1 . . . . . . . . 4874 1 313 . 1 1 65 65 LEU N N 15 121.194 0.200 . 1 . . . . . . . . 4874 1 314 . 1 1 66 66 PHE CA C 13 53.165 0.200 . 1 . . . . . . . . 4874 1 315 . 1 1 66 66 PHE CB C 13 37.201 0.300 . 1 . . . . . . . . 4874 1 316 . 1 1 66 66 PHE C C 13 174.821 0.100 . 1 . . . . . . . . 4874 1 317 . 1 1 66 66 PHE H H 1 8.131 0.030 . 1 . . . . . . . . 4874 1 318 . 1 1 66 66 PHE N N 15 114.903 0.200 . 1 . . . . . . . . 4874 1 319 . 1 1 67 67 ARG CA C 13 58.625 0.200 . 1 . . . . . . . . 4874 1 320 . 1 1 67 67 ARG CB C 13 30.104 0.300 . 1 . . . . . . . . 4874 1 321 . 1 1 67 67 ARG C C 13 177.789 0.100 . 1 . . . . . . . . 4874 1 322 . 1 1 67 67 ARG H H 1 7.014 0.030 . 1 . . . . . . . . 4874 1 323 . 1 1 67 67 ARG N N 15 120.824 0.200 . 1 . . . . . . . . 4874 1 324 . 1 1 68 68 GLY CA C 13 45.648 0.200 . 1 . . . . . . . . 4874 1 325 . 1 1 68 68 GLY C C 13 174.326 0.100 . 1 . . . . . . . . 4874 1 326 . 1 1 68 68 GLY H H 1 9.345 0.030 . 1 . . . . . . . . 4874 1 327 . 1 1 68 68 GLY N N 15 115.150 0.200 . 1 . . . . . . . . 4874 1 328 . 1 1 69 69 GLN CA C 13 52.496 0.200 . 1 . . . . . . . . 4874 1 329 . 1 1 69 69 GLN CB C 13 26.930 0.300 . 1 . . . . . . . . 4874 1 330 . 1 1 69 69 GLN C C 13 176.164 0.100 . 1 . . . . . . . . 4874 1 331 . 1 1 69 69 GLN H H 1 8.484 0.030 . 1 . . . . . . . . 4874 1 332 . 1 1 69 69 GLN N N 15 120.454 0.200 . 1 . . . . . . . . 4874 1 333 . 1 1 70 70 GLU CA C 13 60.872 0.200 . 1 . . . . . . . . 4874 1 334 . 1 1 70 70 GLU CB C 13 29.507 0.300 . 1 . . . . . . . . 4874 1 335 . 1 1 70 70 GLU C C 13 178.478 0.100 . 1 . . . . . . . . 4874 1 336 . 1 1 70 70 GLU H H 1 8.605 0.030 . 1 . . . . . . . . 4874 1 337 . 1 1 70 70 GLU N N 15 120.578 0.200 . 1 . . . . . . . . 4874 1 338 . 1 1 71 71 ASP CA C 13 56.462 0.200 . 1 . . . . . . . . 4874 1 339 . 1 1 71 71 ASP CB C 13 38.932 0.300 . 1 . . . . . . . . 4874 1 340 . 1 1 71 71 ASP C C 13 178.372 0.100 . 1 . . . . . . . . 4874 1 341 . 1 1 71 71 ASP H H 1 8.972 0.030 . 1 . . . . . . . . 4874 1 342 . 1 1 71 71 ASP N N 15 119.221 0.200 . 1 . . . . . . . . 4874 1 343 . 1 1 72 72 LEU CA C 13 56.795 0.200 . 1 . . . . . . . . 4874 1 344 . 1 1 72 72 LEU CB C 13 42.024 0.300 . 1 . . . . . . . . 4874 1 345 . 1 1 72 72 LEU C C 13 180.421 0.100 . 1 . . . . . . . . 4874 1 346 . 1 1 72 72 LEU H H 1 7.761 0.030 . 1 . . . . . . . . 4874 1 347 . 1 1 72 72 LEU N N 15 119.591 0.200 . 1 . . . . . . . . 4874 1 348 . 1 1 73 73 LEU CA C 13 57.706 0.200 . 1 . . . . . . . . 4874 1 349 . 1 1 73 73 LEU CB C 13 42.024 0.300 . 1 . . . . . . . . 4874 1 350 . 1 1 73 73 LEU C C 13 175.916 0.100 . 1 . . . . . . . . 4874 1 351 . 1 1 73 73 LEU H H 1 8.025 0.030 . 1 . . . . . . . . 4874 1 352 . 1 1 73 73 LEU N N 15 119.961 0.200 . 1 . . . . . . . . 4874 1 353 . 1 1 74 74 SER CA C 13 61.717 0.200 . 1 . . . . . . . . 4874 1 354 . 1 1 74 74 SER CB C 13 63.152 0.300 . 1 . . . . . . . . 4874 1 355 . 1 1 74 74 SER C C 13 177.064 0.100 . 1 . . . . . . . . 4874 1 356 . 1 1 74 74 SER H H 1 8.018 0.030 . 1 . . . . . . . . 4874 1 357 . 1 1 74 74 SER N N 15 113.422 0.200 . 1 . . . . . . . . 4874 1 358 . 1 1 75 75 GLU CA C 13 57.486 0.200 . 1 . . . . . . . . 4874 1 359 . 1 1 75 75 GLU CB C 13 30.611 0.300 . 1 . . . . . . . . 4874 1 360 . 1 1 75 75 GLU C C 13 177.577 0.100 . 1 . . . . . . . . 4874 1 361 . 1 1 75 75 GLU H H 1 7.887 0.030 . 1 . . . . . . . . 4874 1 362 . 1 1 75 75 GLU N N 15 119.097 0.200 . 1 . . . . . . . . 4874 1 363 . 1 1 76 76 PHE CA C 13 62.203 0.200 . 1 . . . . . . . . 4874 1 364 . 1 1 76 76 PHE C C 13 176.711 0.100 . 1 . . . . . . . . 4874 1 365 . 1 1 76 76 PHE H H 1 7.839 0.030 . 1 . . . . . . . . 4874 1 366 . 1 1 76 76 PHE N N 15 121.441 0.200 . 1 . . . . . . . . 4874 1 367 . 1 1 77 77 GLY CA C 13 46.941 0.200 . 1 . . . . . . . . 4874 1 368 . 1 1 77 77 GLY C C 13 175.510 0.100 . 1 . . . . . . . . 4874 1 369 . 1 1 77 77 GLY H H 1 8.415 0.030 . 1 . . . . . . . . 4874 1 370 . 1 1 77 77 GLY N N 15 103.800 0.200 . 1 . . . . . . . . 4874 1 371 . 1 1 78 78 GLN CA C 13 57.012 0.200 . 1 . . . . . . . . 4874 1 372 . 1 1 78 78 GLN CB C 13 29.430 0.300 . 1 . . . . . . . . 4874 1 373 . 1 1 78 78 GLN C C 13 176.782 0.100 . 1 . . . . . . . . 4874 1 374 . 1 1 78 78 GLN H H 1 7.407 0.030 . 1 . . . . . . . . 4874 1 375 . 1 1 78 78 GLN N N 15 117.493 0.200 . 1 . . . . . . . . 4874 1 376 . 1 1 79 79 PHE CA C 13 58.789 0.200 . 1 . . . . . . . . 4874 1 377 . 1 1 79 79 PHE CB C 13 43.657 0.300 . 1 . . . . . . . . 4874 1 378 . 1 1 79 79 PHE C C 13 178.902 0.100 . 1 . . . . . . . . 4874 1 379 . 1 1 79 79 PHE H H 1 7.501 0.030 . 1 . . . . . . . . 4874 1 380 . 1 1 79 79 PHE N N 15 120.453 0.200 . 1 . . . . . . . . 4874 1 381 . 1 1 80 80 LEU CA C 13 57.616 0.200 . 1 . . . . . . . . 4874 1 382 . 1 1 80 80 LEU H H 1 8.676 0.030 . 1 . . . . . . . . 4874 1 383 . 1 1 80 80 LEU N N 15 117.740 0.200 . 1 . . . . . . . . 4874 1 384 . 1 1 81 81 PRO CA C 13 62.834 0.200 . 1 . . . . . . . . 4874 1 385 . 1 1 81 81 PRO C C 13 175.704 0.100 . 1 . . . . . . . . 4874 1 386 . 1 1 82 82 GLU CA C 13 57.931 0.200 . 1 . . . . . . . . 4874 1 387 . 1 1 82 82 GLU C C 13 178.407 0.100 . 1 . . . . . . . . 4874 1 388 . 1 1 82 82 GLU H H 1 8.566 0.030 . 1 . . . . . . . . 4874 1 389 . 1 1 82 82 GLU N N 15 122.922 0.200 . 1 . . . . . . . . 4874 1 390 . 1 1 83 83 ALA CA C 13 54.252 0.200 . 1 . . . . . . . . 4874 1 391 . 1 1 83 83 ALA CB C 13 18.198 0.300 . 1 . . . . . . . . 4874 1 392 . 1 1 83 83 ALA C C 13 178.849 0.100 . 1 . . . . . . . . 4874 1 393 . 1 1 83 83 ALA H H 1 8.138 0.030 . 1 . . . . . . . . 4874 1 394 . 1 1 83 83 ALA N N 15 122.798 0.200 . 1 . . . . . . . . 4874 1 395 . 1 1 84 84 LYS CA C 13 58.298 0.200 . 1 . . . . . . . . 4874 1 396 . 1 1 84 84 LYS CB C 13 39.364 0.300 . 1 . . . . . . . . 4874 1 397 . 1 1 84 84 LYS C C 13 175.916 0.100 . 1 . . . . . . . . 4874 1 398 . 1 1 84 84 LYS H H 1 7.960 0.030 . 1 . . . . . . . . 4874 1 399 . 1 1 84 84 LYS N N 15 116.136 0.200 . 1 . . . . . . . . 4874 1 400 . 1 1 85 85 ARG CA C 13 57.866 0.200 . 1 . . . . . . . . 4874 1 401 . 1 1 85 85 ARG CB C 13 31.382 0.300 . 1 . . . . . . . . 4874 1 402 . 1 1 85 85 ARG C C 13 177.400 0.100 . 1 . . . . . . . . 4874 1 403 . 1 1 85 85 ARG H H 1 7.567 0.030 . 1 . . . . . . . . 4874 1 404 . 1 1 85 85 ARG N N 15 119.756 0.200 . 1 . . . . . . . . 4874 1 405 . 1 1 86 86 SER CA C 13 59.589 0.200 . 1 . . . . . . . . 4874 1 406 . 1 1 86 86 SER CB C 13 64.777 0.300 . 1 . . . . . . . . 4874 1 407 . 1 1 86 86 SER C C 13 174.538 0.100 . 1 . . . . . . . . 4874 1 408 . 1 1 86 86 SER H H 1 8.066 0.030 . 1 . . . . . . . . 4874 1 409 . 1 1 86 86 SER N N 15 113.546 0.200 . 1 . . . . . . . . 4874 1 410 . 1 1 87 87 LEU CA C 13 55.688 0.200 . 1 . . . . . . . . 4874 1 411 . 1 1 87 87 LEU CB C 13 42.923 0.300 . 1 . . . . . . . . 4874 1 412 . 1 1 87 87 LEU C C 13 178.919 0.100 . 1 . . . . . . . . 4874 1 413 . 1 1 87 87 LEU H H 1 8.028 0.030 . 1 . . . . . . . . 4874 1 414 . 1 1 87 87 LEU N N 15 121.935 0.200 . 1 . . . . . . . . 4874 1 415 . 1 1 88 88 PHE CA C 13 57.414 0.200 . 1 . . . . . . . . 4874 1 416 . 1 1 88 88 PHE CB C 13 39.362 0.300 . 1 . . . . . . . . 4874 1 417 . 1 1 88 88 PHE C C 13 176.058 0.100 . 1 . . . . . . . . 4874 1 418 . 1 1 88 88 PHE H H 1 8.097 0.030 . 1 . . . . . . . . 4874 1 419 . 1 1 88 88 PHE N N 15 117.987 0.200 . 1 . . . . . . . . 4874 1 420 . 1 1 89 89 THR CA C 13 61.830 0.200 . 1 . . . . . . . . 4874 1 421 . 1 1 89 89 THR CB C 13 70.330 0.300 . 1 . . . . . . . . 4874 1 422 . 1 1 89 89 THR C C 13 175.280 0.100 . 1 . . . . . . . . 4874 1 423 . 1 1 89 89 THR H H 1 7.958 0.030 . 1 . . . . . . . . 4874 1 424 . 1 1 89 89 THR N N 15 112.682 0.200 . 1 . . . . . . . . 4874 1 425 . 1 1 90 90 GLY CA C 13 45.603 0.200 . 1 . . . . . . . . 4874 1 426 . 1 1 90 90 GLY C C 13 174.114 0.100 . 1 . . . . . . . . 4874 1 427 . 1 1 90 90 GLY H H 1 8.117 0.030 . 1 . . . . . . . . 4874 1 428 . 1 1 90 90 GLY N N 15 110.338 0.200 . 1 . . . . . . . . 4874 1 429 . 1 1 91 91 ASN CA C 13 53.382 0.200 . 1 . . . . . . . . 4874 1 430 . 1 1 91 91 ASN CB C 13 39.508 0.300 . 1 . . . . . . . . 4874 1 431 . 1 1 91 91 ASN C C 13 175.987 0.100 . 1 . . . . . . . . 4874 1 432 . 1 1 91 91 ASN H H 1 8.443 0.030 . 1 . . . . . . . . 4874 1 433 . 1 1 91 91 ASN N N 15 118.850 0.200 . 1 . . . . . . . . 4874 1 434 . 1 1 92 92 GLY CA C 13 45.681 0.200 . 1 . . . . . . . . 4874 1 435 . 1 1 92 92 GLY C C 13 174.432 0.100 . 1 . . . . . . . . 4874 1 436 . 1 1 92 92 GLY H H 1 8.527 0.030 . 1 . . . . . . . . 4874 1 437 . 1 1 92 92 GLY N N 15 109.598 0.200 . 1 . . . . . . . . 4874 1 438 . 1 1 93 93 SER CA C 13 58.497 0.200 . 1 . . . . . . . . 4874 1 439 . 1 1 93 93 SER CB C 13 64.414 0.300 . 1 . . . . . . . . 4874 1 440 . 1 1 93 93 SER C C 13 174.768 0.100 . 1 . . . . . . . . 4874 1 441 . 1 1 93 93 SER H H 1 8.200 0.030 . 1 . . . . . . . . 4874 1 442 . 1 1 93 93 SER N N 15 115.643 0.200 . 1 . . . . . . . . 4874 1 443 . 1 1 94 94 ALA CA C 13 53.097 0.200 . 1 . . . . . . . . 4874 1 444 . 1 1 94 94 ALA CB C 13 19.642 0.300 . 1 . . . . . . . . 4874 1 445 . 1 1 94 94 ALA C C 13 177.965 0.100 . 1 . . . . . . . . 4874 1 446 . 1 1 94 94 ALA H H 1 8.443 0.030 . 1 . . . . . . . . 4874 1 447 . 1 1 94 94 ALA N N 15 125.759 0.200 . 1 . . . . . . . . 4874 1 448 . 1 1 95 95 GLU CA C 13 56.911 0.200 . 1 . . . . . . . . 4874 1 449 . 1 1 95 95 GLU CB C 13 30.670 0.300 . 1 . . . . . . . . 4874 1 450 . 1 1 95 95 GLU C C 13 176.852 0.100 . 1 . . . . . . . . 4874 1 451 . 1 1 95 95 GLU H H 1 8.361 0.030 . 1 . . . . . . . . 4874 1 452 . 1 1 95 95 GLU N N 15 119.344 0.200 . 1 . . . . . . . . 4874 1 453 . 1 1 96 96 MET CA C 13 55.807 0.200 . 1 . . . . . . . . 4874 1 454 . 1 1 96 96 MET CB C 13 33.592 0.300 . 1 . . . . . . . . 4874 1 455 . 1 1 96 96 MET C C 13 176.234 0.100 . 1 . . . . . . . . 4874 1 456 . 1 1 96 96 MET H H 1 8.306 0.030 . 1 . . . . . . . . 4874 1 457 . 1 1 96 96 MET N N 15 120.701 0.200 . 1 . . . . . . . . 4874 1 458 . 1 1 97 97 ASN CA C 13 53.399 0.200 . 1 . . . . . . . . 4874 1 459 . 1 1 97 97 ASN CB C 13 39.362 0.300 . 1 . . . . . . . . 4874 1 460 . 1 1 97 97 ASN C C 13 175.369 0.100 . 1 . . . . . . . . 4874 1 461 . 1 1 97 97 ASN H H 1 8.457 0.030 . 1 . . . . . . . . 4874 1 462 . 1 1 97 97 ASN N N 15 119.714 0.200 . 1 . . . . . . . . 4874 1 463 . 1 1 98 98 SER CA C 13 58.871 0.200 . 1 . . . . . . . . 4874 1 464 . 1 1 98 98 SER CB C 13 64.127 0.300 . 1 . . . . . . . . 4874 1 465 . 1 1 98 98 SER C C 13 175.245 0.100 . 1 . . . . . . . . 4874 1 466 . 1 1 98 98 SER H H 1 8.369 0.030 . 1 . . . . . . . . 4874 1 467 . 1 1 98 98 SER N N 15 116.383 0.200 . 1 . . . . . . . . 4874 1 468 . 1 1 99 99 GLY CA C 13 45.452 0.200 . 1 . . . . . . . . 4874 1 469 . 1 1 99 99 GLY C C 13 174.273 0.100 . 1 . . . . . . . . 4874 1 470 . 1 1 99 99 GLY H H 1 8.497 0.030 . 1 . . . . . . . . 4874 1 471 . 1 1 99 99 GLY N N 15 110.708 0.200 . 1 . . . . . . . . 4874 1 472 . 1 1 100 100 GLN CA C 13 55.845 0.200 . 1 . . . . . . . . 4874 1 473 . 1 1 100 100 GLN CB C 13 30.011 0.300 . 1 . . . . . . . . 4874 1 474 . 1 1 100 100 GLN C C 13 176.005 0.100 . 1 . . . . . . . . 4874 1 475 . 1 1 100 100 GLN H H 1 8.193 0.030 . 1 . . . . . . . . 4874 1 476 . 1 1 100 100 GLN N N 15 119.961 0.200 . 1 . . . . . . . . 4874 1 477 . 1 1 101 101 LYS CA C 13 56.361 0.200 . 1 . . . . . . . . 4874 1 478 . 1 1 101 101 LYS CB C 13 33.648 0.300 . 1 . . . . . . . . 4874 1 479 . 1 1 101 101 LYS C C 13 176.252 0.100 . 1 . . . . . . . . 4874 1 480 . 1 1 101 101 LYS H H 1 8.449 0.030 . 1 . . . . . . . . 4874 1 481 . 1 1 101 101 LYS N N 15 122.798 0.200 . 1 . . . . . . . . 4874 1 482 . 1 1 102 102 ASN CA C 13 53.442 0.200 . 1 . . . . . . . . 4874 1 483 . 1 1 102 102 ASN CB C 13 39.467 0.300 . 1 . . . . . . . . 4874 1 484 . 1 1 102 102 ASN C C 13 175.157 0.100 . 1 . . . . . . . . 4874 1 485 . 1 1 102 102 ASN H H 1 8.565 0.030 . 1 . . . . . . . . 4874 1 486 . 1 1 102 102 ASN N N 15 120.578 0.200 . 1 . . . . . . . . 4874 1 487 . 1 1 103 103 GLU CA C 13 56.510 0.200 . 1 . . . . . . . . 4874 1 488 . 1 1 103 103 GLU CB C 13 30.957 0.300 . 1 . . . . . . . . 4874 1 489 . 1 1 103 103 GLU C C 13 176.234 0.100 . 1 . . . . . . . . 4874 1 490 . 1 1 103 103 GLU H H 1 8.478 0.030 . 1 . . . . . . . . 4874 1 491 . 1 1 103 103 GLU N N 15 121.441 0.200 . 1 . . . . . . . . 4874 1 492 . 1 1 104 104 GLU CA C 13 56.594 0.200 . 1 . . . . . . . . 4874 1 493 . 1 1 104 104 GLU CB C 13 30.738 0.300 . 1 . . . . . . . . 4874 1 494 . 1 1 104 104 GLU C C 13 175.492 0.100 . 1 . . . . . . . . 4874 1 495 . 1 1 104 104 GLU H H 1 8.419 0.030 . 1 . . . . . . . . 4874 1 496 . 1 1 104 104 GLU N N 15 122.675 0.200 . 1 . . . . . . . . 4874 1 497 . 1 1 105 105 LYS CA C 13 57.581 0.200 . 1 . . . . . . . . 4874 1 498 . 1 1 105 105 LYS CB C 13 34.230 0.300 . 1 . . . . . . . . 4874 1 499 . 1 1 105 105 LYS H H 1 7.969 0.030 . 1 . . . . . . . . 4874 1 500 . 1 1 105 105 LYS N N 15 127.733 0.200 . 1 . . . . . . . . 4874 1 stop_ save_