################################### # 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 27046 _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 0.01 _Assigned_chem_shift_list.Chem_shift_13C_err 0.1 _Assigned_chem_shift_list.Chem_shift_15N_err 0.05 _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 '3D HNCO' . . . 27046 1 2 '3D HNCA' . . . 27046 1 3 '3D HN(CO)CA' . . . 27046 1 4 '3D HN(CA)CO' . . . 27046 1 5 '3D C(CO)NH' . . . 27046 1 6 '2D 1H-15N HSQC' . . . 27046 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 2 2 VAL C C 13 175.856 0.1 . . . . . . 85 V C . 27046 1 2 . 1 1 2 2 VAL CA C 13 62.450 0.1 . . . . . . 85 V CA . 27046 1 3 . 1 1 2 2 VAL CB C 13 33.230 0.1 . . . . . . 85 V CB . 27046 1 4 . 1 1 3 3 SER H H 1 8.379 0.01 . . . . . . 86 S HN . 27046 1 5 . 1 1 3 3 SER C C 13 174.026 0.1 . . . . . . 86 S C . 27046 1 6 . 1 1 3 3 SER CA C 13 60.810 0.1 . . . . . . 86 S CA . 27046 1 7 . 1 1 3 3 SER CB C 13 63.670 0.1 . . . . . . 86 S CB . 27046 1 8 . 1 1 3 3 SER N N 15 119.454 0.05 . . . . . . 86 S N . 27046 1 9 . 1 1 4 4 GLU H H 1 8.487 0.01 . . . . . . 87 E HN . 27046 1 10 . 1 1 4 4 GLU C C 13 175.451 0.1 . . . . . . 87 E C . 27046 1 11 . 1 1 4 4 GLU CA C 13 56.280 0.1 . . . . . . 87 E CA . 27046 1 12 . 1 1 4 4 GLU CB C 13 31.290 0.1 . . . . . . 87 E CB . 27046 1 13 . 1 1 4 4 GLU N N 15 123.690 0.05 . . . . . . 87 E N . 27046 1 14 . 1 1 5 5 ILE H H 1 8.220 0.01 . . . . . . 88 I HN . 27046 1 15 . 1 1 5 5 ILE C C 13 176.249 0.1 . . . . . . 88 I C . 27046 1 16 . 1 1 5 5 ILE CA C 13 60.850 0.1 . . . . . . 88 I CA . 27046 1 17 . 1 1 5 5 ILE CB C 13 37.720 0.1 . . . . . . 88 I CB . 27046 1 18 . 1 1 5 5 ILE N N 15 122.268 0.05 . . . . . . 88 I N . 27046 1 19 . 1 1 6 6 ARG H H 1 8.338 0.01 . . . . . . 89 R H . 27046 1 20 . 1 1 6 6 ARG CA C 13 54.98 0.1 . . . . . . 89 R CA . 27046 1 21 . 1 1 6 6 ARG N N 15 126.514 0.05 . . . . . . 89 R N . 27046 1 22 . 1 1 7 7 HIS C C 13 176.464 0.1 . . . . . . 90 H C . 27046 1 23 . 1 1 7 7 HIS CA C 13 56.092 0.1 . . . . . . 90 H CA . 27046 1 24 . 1 1 7 7 HIS CB C 13 31.487 0.1 . . . . . . 90 H CB . 27046 1 25 . 1 1 8 8 THR H H 1 8.689 0.01 . . . . . . 91 T HN . 27046 1 26 . 1 1 8 8 THR C C 13 174.466 0.1 . . . . . . 91 T C . 27046 1 27 . 1 1 8 8 THR CA C 13 60.600 0.1 . . . . . . 91 T CA . 27046 1 28 . 1 1 8 8 THR CB C 13 70.770 0.1 . . . . . . 91 T CB . 27046 1 29 . 1 1 8 8 THR N N 15 115.185 0.05 . . . . . . 91 T N . 27046 1 30 . 1 1 9 9 ALA H H 1 8.497 0.01 . . . . . . 92 A HN . 27046 1 31 . 1 1 9 9 ALA HB1 H 1 1.135 0.01 . . . . . . 92 A HB . 27046 1 32 . 1 1 9 9 ALA HB2 H 1 1.135 0.01 . . . . . . 92 A HB . 27046 1 33 . 1 1 9 9 ALA HB3 H 1 1.135 0.01 . . . . . . 92 A HB . 27046 1 34 . 1 1 9 9 ALA C C 13 177.712 0.1 . . . . . . 92 A C . 27046 1 35 . 1 1 9 9 ALA CA C 13 53.650 0.1 . . . . . . 92 A CA . 27046 1 36 . 1 1 9 9 ALA CB C 13 19.060 0.1 . . . . . . 92 A CB . 27046 1 37 . 1 1 9 9 ALA N N 15 123.340 0.05 . . . . . . 92 A N . 27046 1 38 . 1 1 10 10 ASP H H 1 8.227 0.01 . . . . . . 93 D HN . 27046 1 39 . 1 1 10 10 ASP C C 13 176.375 0.1 . . . . . . 93 D C . 27046 1 40 . 1 1 10 10 ASP CA C 13 54.140 0.1 . . . . . . 93 D CA . 27046 1 41 . 1 1 10 10 ASP CB C 13 41.740 0.1 . . . . . . 93 D CB . 27046 1 42 . 1 1 10 10 ASP N N 15 114.544 0.05 . . . . . . 93 D N . 27046 1 43 . 1 1 11 11 ARG H H 1 7.927 0.01 . . . . . . 94 R HN . 27046 1 44 . 1 1 11 11 ARG C C 13 173.972 0.1 . . . . . . 94 R C . 27046 1 45 . 1 1 11 11 ARG CA C 13 55.300 0.1 . . . . . . 94 R CA . 27046 1 46 . 1 1 11 11 ARG CB C 13 33.250 0.1 . . . . . . 94 R CB . 27046 1 47 . 1 1 11 11 ARG N N 15 121.211 0.05 . . . . . . 94 R N . 27046 1 48 . 1 1 12 12 TRP H H 1 9.148 0.01 . . . . . . 95 W HN . 27046 1 49 . 1 1 12 12 TRP C C 13 175.193 0.1 . . . . . . 95 W C . 27046 1 50 . 1 1 12 12 TRP CA C 13 57.374 0.1 . . . . . . 95 W CA . 27046 1 51 . 1 1 12 12 TRP N N 15 128.685 0.05 . . . . . . 95 W N . 27046 1 52 . 1 1 13 13 ARG C C 13 173.634 0.1 . . . . . . 96 R C . 27046 1 53 . 1 1 13 13 ARG CA C 13 55.330 0.1 . . . . . . 96 R CA . 27046 1 54 . 1 1 13 13 ARG CB C 13 33.820 0.1 . . . . . . 96 R CB . 27046 1 55 . 1 1 14 14 VAL H H 1 8.346 0.01 . . . . . . 97 V HN . 27046 1 56 . 1 1 14 14 VAL C C 13 173.800 0.1 . . . . . . 97 V C . 27046 1 57 . 1 1 14 14 VAL CA C 13 59.360 0.1 . . . . . . 97 V CA . 27046 1 58 . 1 1 14 14 VAL CB C 13 35.290 0.1 . . . . . . 97 V CB . 27046 1 59 . 1 1 14 14 VAL N N 15 119.863 0.05 . . . . . . 97 V N . 27046 1 60 . 1 1 15 15 SER H H 1 8.265 0.01 . . . . . . 98 S HN . 27046 1 61 . 1 1 15 15 SER C C 13 172.784 0.1 . . . . . . 98 S C . 27046 1 62 . 1 1 15 15 SER CA C 13 56.977 0.1 . . . . . . 98 S CA . 27046 1 63 . 1 1 15 15 SER CB C 13 66.363 0.1 . . . . . . 98 S CB . 27046 1 64 . 1 1 15 15 SER N N 15 115.758 0.05 . . . . . . 98 S N . 27046 1 65 . 1 1 16 16 LEU H H 1 9.241 0.01 . . . . . . 99 L HN . 27046 1 66 . 1 1 16 16 LEU C C 13 174.712 0.1 . . . . . . 99 L C . 27046 1 67 . 1 1 16 16 LEU CA C 13 54.137 0.1 . . . . . . 99 L CA . 27046 1 68 . 1 1 16 16 LEU CB C 13 45.157 0.1 . . . . . . 99 L CB . 27046 1 69 . 1 1 16 16 LEU N N 15 123.601 0.05 . . . . . . 99 L N . 27046 1 70 . 1 1 17 17 ASP H H 1 8.428 0.01 . . . . . . 100 D HN . 27046 1 71 . 1 1 17 17 ASP C C 13 176.632 0.1 . . . . . . 100 D C . 27046 1 72 . 1 1 17 17 ASP CA C 13 54.671 0.1 . . . . . . 100 D CA . 27046 1 73 . 1 1 17 17 ASP CB C 13 40.835 0.1 . . . . . . 100 D CB . 27046 1 74 . 1 1 17 17 ASP N N 15 123.383 0.05 . . . . . . 100 D N . 27046 1 75 . 1 1 18 18 VAL H H 1 8.799 0.01 . . . . . . 101 V HN . 27046 1 76 . 1 1 18 18 VAL C C 13 176.457 0.1 . . . . . . 101 V C . 27046 1 77 . 1 1 18 18 VAL CA C 13 59.435 0.1 . . . . . . 101 V CA . 27046 1 78 . 1 1 18 18 VAL N N 15 121.203 0.05 . . . . . . 101 V N . 27046 1 79 . 1 1 19 19 ASN H H 1 8.10 0.01 . . . . . . 102 N HN . 27046 1 80 . 1 1 19 19 ASN C C 13 175.657 0.1 . . . . . . 102 N C . 27046 1 81 . 1 1 19 19 ASN CA C 13 56.558 0.1 . . . . . . 102 N CA . 27046 1 82 . 1 1 19 19 ASN CB C 13 38.972 0.1 . . . . . . 102 N CB . 27046 1 83 . 1 1 19 19 ASN N N 15 119.118 0.05 . . . . . . 102 N N . 27046 1 84 . 1 1 20 20 HIS H H 1 7.956 0.01 . . . . . . 103 H HN . 27046 1 85 . 1 1 20 20 HIS C C 13 174.134 0.1 . . . . . . 103 H C . 27046 1 86 . 1 1 20 20 HIS CA C 13 57.931 0.1 . . . . . . 103 H CA . 27046 1 87 . 1 1 20 20 HIS CB C 13 30.240 0.1 . . . . . . 103 H CB . 27046 1 88 . 1 1 20 20 HIS N N 15 113.744 0.05 . . . . . . 103 H N . 27046 1 89 . 1 1 21 21 PHE H H 1 8.342 0.01 . . . . . . 104 F HN . 27046 1 90 . 1 1 21 21 PHE C C 13 174.094 0.1 . . . . . . 104 F C . 27046 1 91 . 1 1 21 21 PHE CA C 13 58.101 0.1 . . . . . . 104 F CA . 27046 1 92 . 1 1 21 21 PHE CB C 13 40.987 0.1 . . . . . . 104 F CB . 27046 1 93 . 1 1 21 21 PHE N N 15 117.361 0.05 . . . . . . 104 F N . 27046 1 94 . 1 1 22 22 ALA H H 1 9.336 0.01 . . . . . . 105 A HN . 27046 1 95 . 1 1 22 22 ALA C C 13 177.115 0.1 . . . . . . 105 A C . 27046 1 96 . 1 1 22 22 ALA CA C 13 49.928 0.1 . . . . . . 105 A CA . 27046 1 97 . 1 1 22 22 ALA N N 15 126.918 0.05 . . . . . . 105 A N . 27046 1 98 . 1 1 23 23 PRO C C 13 178.389 0.1 . . . . . . 106 P C . 27046 1 99 . 1 1 23 23 PRO CA C 13 66.238 0.1 . . . . . . 106 P CA . 27046 1 100 . 1 1 23 23 PRO CB C 13 31.790 0.1 . . . . . . 106 P CB . 27046 1 101 . 1 1 24 24 ASP H H 1 8.205 0.01 . . . . . . 107 D HN . 27046 1 102 . 1 1 24 24 ASP C C 13 176.993 0.1 . . . . . . 107 D C . 27046 1 103 . 1 1 24 24 ASP CA C 13 54.468 0.1 . . . . . . 107 D CA . 27046 1 104 . 1 1 24 24 ASP CB C 13 39.67 0.1 . . . . . . 107 D CB . 27046 1 105 . 1 1 24 24 ASP N N 15 110.354 0.05 . . . . . . 107 D N . 27046 1 106 . 1 1 25 25 GLU H H 1 8.223 0.01 . . . . . . 108 E HN . 27046 1 107 . 1 1 25 25 GLU C C 13 174.932 0.1 . . . . . . 108 E C . 27046 1 108 . 1 1 25 25 GLU CA C 13 55.980 0.1 . . . . . . 108 E CA . 27046 1 109 . 1 1 25 25 GLU CB C 13 30.134 0.1 . . . . . . 108 E CB . 27046 1 110 . 1 1 25 25 GLU N N 15 120.277 0.05 . . . . . . 108 E N . 27046 1 111 . 1 1 26 26 LEU H H 1 7.168 0.01 . . . . . . 109 L HN . 27046 1 112 . 1 1 26 26 LEU C C 13 176.579 0.1 . . . . . . 109 L C . 27046 1 113 . 1 1 26 26 LEU CA C 13 53.165 0.1 . . . . . . 109 L CA . 27046 1 114 . 1 1 26 26 LEU CB C 13 46.283 0.1 . . . . . . 109 L CB . 27046 1 115 . 1 1 26 26 LEU N N 15 120.351 0.05 . . . . . . 109 L N . 27046 1 116 . 1 1 27 27 THR H H 1 8.857 0.01 . . . . . . 110 T HN . 27046 1 117 . 1 1 27 27 THR C C 13 172.765 0.1 . . . . . . 110 T C . 27046 1 118 . 1 1 27 27 THR CA C 13 61.038 0.1 . . . . . . 110 T CA . 27046 1 119 . 1 1 27 27 THR CB C 13 71.786 0.1 . . . . . . 110 T CB . 27046 1 120 . 1 1 27 27 THR N N 15 115.131 0.05 . . . . . . 110 T N . 27046 1 121 . 1 1 28 28 VAL H H 1 8.532 0.01 . . . . . . 111 V HN . 27046 1 122 . 1 1 28 28 VAL C C 13 175.200 0.1 . . . . . . 111 V C . 27046 1 123 . 1 1 28 28 VAL CA C 13 61.704 0.1 . . . . . . 111 V CA . 27046 1 124 . 1 1 28 28 VAL CB C 13 34.050 0.1 . . . . . . 111 V CB . 27046 1 125 . 1 1 28 28 VAL N N 15 124.709 0.05 . . . . . . 111 V N . 27046 1 126 . 1 1 29 29 LYS H H 1 9.133 0.01 . . . . . . 112 K HN . 27046 1 127 . 1 1 29 29 LYS C C 13 174.771 0.1 . . . . . . 112 K C . 27046 1 128 . 1 1 29 29 LYS CA C 13 54.970 0.1 . . . . . . 112 K CA . 27046 1 129 . 1 1 29 29 LYS CB C 13 36.648 0.1 . . . . . . 112 K CB . 27046 1 130 . 1 1 29 29 LYS N N 15 127.749 0.05 . . . . . . 112 K N . 27046 1 131 . 1 1 30 30 THR H H 1 8.601 0.01 . . . . . . 113 T HN . 27046 1 132 . 1 1 30 30 THR C C 13 174.206 0.1 . . . . . . 113 T C . 27046 1 133 . 1 1 30 30 THR CA C 13 61.211 0.1 . . . . . . 113 T CA . 27046 1 134 . 1 1 30 30 THR CB C 13 69.582 0.1 . . . . . . 113 T CB . 27046 1 135 . 1 1 30 30 THR N N 15 118.477 0.05 . . . . . . 113 T N . 27046 1 136 . 1 1 31 31 LYS H H 1 8.734 0.01 . . . . . . 114 K HN . 27046 1 137 . 1 1 31 31 LYS C C 13 175.231 0.1 . . . . . . 114 K C . 27046 1 138 . 1 1 31 31 LYS CA C 13 55.752 0.1 . . . . . . 114 K CA . 27046 1 139 . 1 1 31 31 LYS CB C 13 34.752 0.1 . . . . . . 114 K CB . 27046 1 140 . 1 1 31 31 LYS N N 15 125.406 0.05 . . . . . . 114 K N . 27046 1 141 . 1 1 32 32 ASP H H 1 9.053 0.01 . . . . . . 115 D HN . 27046 1 142 . 1 1 32 32 ASP C C 13 175.938 0.1 . . . . . . 115 D C . 27046 1 143 . 1 1 32 32 ASP CA C 13 55.855 0.1 . . . . . . 115 D CA . 27046 1 144 . 1 1 32 32 ASP CB C 13 39.835 0.1 . . . . . . 115 D CB . 27046 1 145 . 1 1 32 32 ASP N N 15 124.036 0.05 . . . . . . 115 D N . 27046 1 146 . 1 1 33 33 GLY H H 1 8.744 0.01 . . . . . . 116 G HN . 27046 1 147 . 1 1 33 33 GLY C C 13 173.585 0.1 . . . . . . 116 G C . 27046 1 148 . 1 1 33 33 GLY CA C 13 46.023 0.1 . . . . . . 116 G CA . 27046 1 149 . 1 1 33 33 GLY N N 15 105.293 0.05 . . . . . . 116 G N . 27046 1 150 . 1 1 34 34 VAL H H 1 7.875 0.01 . . . . . . 117 V HN . 27046 1 151 . 1 1 34 34 VAL C C 13 174.870 0.1 . . . . . . 117 V C . 27046 1 152 . 1 1 34 34 VAL CA C 13 60.097 0.1 . . . . . . 117 V CA . 27046 1 153 . 1 1 34 34 VAL CB C 13 37.815 0.1 . . . . . . 117 V CB . 27046 1 154 . 1 1 34 34 VAL N N 15 119.951 0.05 . . . . . . 117 V N . 27046 1 155 . 1 1 35 35 VAL H H 1 8.993 0.01 . . . . . . 118 V HN . 27046 1 156 . 1 1 35 35 VAL C C 13 173.817 0.1 . . . . . . 118 V C . 27046 1 157 . 1 1 35 35 VAL CA C 13 61.285 0.1 . . . . . . 118 V CA . 27046 1 158 . 1 1 35 35 VAL CB C 13 33.946 0.1 . . . . . . 118 V CB . 27046 1 159 . 1 1 35 35 VAL N N 15 124.728 0.05 . . . . . . 118 V N . 27046 1 160 . 1 1 36 36 GLU H H 1 9.473 0.01 . . . . . . 119 E HN . 27046 1 161 . 1 1 36 36 GLU C C 13 175.151 0.1 . . . . . . 119 E C . 27046 1 162 . 1 1 36 36 GLU CA C 13 54.748 0.1 . . . . . . 119 E CA . 27046 1 163 . 1 1 36 36 GLU CB C 13 33.044 0.1 . . . . . . 119 E CB . 27046 1 164 . 1 1 36 36 GLU N N 15 129.114 0.05 . . . . . . 119 E N . 27046 1 165 . 1 1 37 37 ILE H H 1 9.768 0.01 . . . . . . 120 I HN . 27046 1 166 . 1 1 37 37 ILE C C 13 174.535 0.1 . . . . . . 120 I C . 27046 1 167 . 1 1 37 37 ILE CA C 13 59.833 0.1 . . . . . . 120 I CA . 27046 1 168 . 1 1 37 37 ILE CB C 13 41.614 0.1 . . . . . . 120 I CB . 27046 1 169 . 1 1 37 37 ILE N N 15 129.661 0.05 . . . . . . 120 I N . 27046 1 170 . 1 1 38 38 THR H H 1 8.738 0.01 . . . . . . 121 T HN . 27046 1 171 . 1 1 38 38 THR C C 13 173.014 0.1 . . . . . . 121 T C . 27046 1 172 . 1 1 38 38 THR CA C 13 60.273 0.1 . . . . . . 121 T CA . 27046 1 173 . 1 1 38 38 THR CB C 13 71.491 0.1 . . . . . . 121 T CB . 27046 1 174 . 1 1 38 38 THR N N 15 122.177 0.05 . . . . . . 121 T N . 27046 1 175 . 1 1 39 39 GLY H H 1 7.461 0.01 . . . . . . 122 G HN . 27046 1 176 . 1 1 39 39 GLY C C 13 172.129 0.1 . . . . . . 122 G C . 27046 1 177 . 1 1 39 39 GLY CA C 13 43.98 0.1 . . . . . . 122 G CA . 27046 1 178 . 1 1 39 39 GLY N N 15 111.962 0.05 . . . . . . 122 G N . 27046 1 179 . 1 1 40 40 LYS H H 1 8.107 0.01 . . . . . . 123 K HN . 27046 1 180 . 1 1 40 40 LYS C C 13 174.619 0.1 . . . . . . 123 K C . 27046 1 181 . 1 1 40 40 LYS CA C 13 53.915 0.1 . . . . . . 123 K CA . 27046 1 182 . 1 1 40 40 LYS CB C 13 35.078 0.1 . . . . . . 123 K CB . 27046 1 183 . 1 1 40 40 LYS N N 15 123.061 0.05 . . . . . . 123 K N . 27046 1 184 . 1 1 41 41 HIS H H 1 9.057 0.01 . . . . . . 124 H HN . 27046 1 185 . 1 1 41 41 HIS C C 13 175.048 0.1 . . . . . . 124 H C . 27046 1 186 . 1 1 41 41 HIS CA C 13 53.911 0.1 . . . . . . 124 H CA . 27046 1 187 . 1 1 41 41 HIS CB C 13 32.815 0.1 . . . . . . 124 H CB . 27046 1 188 . 1 1 41 41 HIS N N 15 122.110 0.05 . . . . . . 124 H N . 27046 1 189 . 1 1 42 42 GLU H H 1 9.054 0.01 . . . . . . 125 E HN . 27046 1 190 . 1 1 42 42 GLU C C 13 176.472 0.1 . . . . . . 125 E C . 27046 1 191 . 1 1 42 42 GLU CA C 13 54.870 0.1 . . . . . . 125 E CA . 27046 1 192 . 1 1 42 42 GLU CB C 13 30.21 0.1 . . . . . . 125 E CB . 27046 1 193 . 1 1 42 42 GLU N N 15 122.487 0.05 . . . . . . 125 E N . 27046 1 194 . 1 1 43 43 GLU H H 1 8.846 0.01 . . . . . . 126 E HN . 27046 1 195 . 1 1 43 43 GLU C C 13 176.095 0.1 . . . . . . 126 E C . 27046 1 196 . 1 1 43 43 GLU CA C 13 53.437 0.1 . . . . . . 126 E CA . 27046 1 197 . 1 1 43 43 GLU CB C 13 32.12 0.1 . . . . . . 126 E CB . 27046 1 198 . 1 1 43 43 GLU N N 15 120.911 0.05 . . . . . . 126 E N . 27046 1 199 . 1 1 44 44 ARG H H 1 8.974 0.01 . . . . . . 127 R HN . 27046 1 200 . 1 1 44 44 ARG C C 13 174.775 0.1 . . . . . . 127 R C . 27046 1 201 . 1 1 44 44 ARG CA C 13 54.294 0.1 . . . . . . 127 R CA . 27046 1 202 . 1 1 44 44 ARG CB C 13 35.459 0.1 . . . . . . 127 R CB . 27046 1 203 . 1 1 44 44 ARG N N 15 124.417 0.05 . . . . . . 127 R N . 27046 1 204 . 1 1 45 45 GLN H H 1 8.794 0.01 . . . . . . 128 Q HN . 27046 1 205 . 1 1 45 45 GLN C C 13 176.236 0.1 . . . . . . 128 Q C . 27046 1 206 . 1 1 45 45 GLN CA C 13 55.586 0.1 . . . . . . 128 Q CA . 27046 1 207 . 1 1 45 45 GLN CB C 13 34.027 0.1 . . . . . . 128 Q CB . 27046 1 208 . 1 1 45 45 GLN N N 15 122.715 0.05 . . . . . . 128 Q N . 27046 1 209 . 1 1 46 46 ASP H H 1 8.970 0.01 . . . . . . 129 D HN . 27046 1 210 . 1 1 46 46 ASP C C 13 176.224 0.1 . . . . . . 129 D C . 27046 1 211 . 1 1 46 46 ASP CA C 13 52.199 0.1 . . . . . . 129 D CA . 27046 1 212 . 1 1 46 46 ASP CB C 13 41.752 0.1 . . . . . . 129 D CB . 27046 1 213 . 1 1 46 46 ASP N N 15 128.214 0.05 . . . . . . 129 D N . 27046 1 214 . 1 1 47 47 GLU H H 1 9.005 0.01 . . . . . . 130 E HN . 27046 1 215 . 1 1 47 47 GLU C C 13 176.768 0.1 . . . . . . 130 E C . 27046 1 216 . 1 1 47 47 GLU CA C 13 58.973 0.1 . . . . . . 130 E CA . 27046 1 217 . 1 1 47 47 GLU CB C 13 28.901 0.1 . . . . . . 130 E CB . 27046 1 218 . 1 1 47 47 GLU N N 15 116.066 0.05 . . . . . . 130 E N . 27046 1 219 . 1 1 48 48 HIS H H 1 7.911 0.01 . . . . . . 131 H HN . 27046 1 220 . 1 1 48 48 HIS C C 13 175.663 0.1 . . . . . . 131 H C . 27046 1 221 . 1 1 48 48 HIS CA C 13 55.803 0.1 . . . . . . 131 H CA . 27046 1 222 . 1 1 48 48 HIS CB C 13 33.046 0.1 . . . . . . 131 H CB . 27046 1 223 . 1 1 48 48 HIS N N 15 115.792 0.05 . . . . . . 131 H N . 27046 1 224 . 1 1 49 49 GLY H H 1 7.527 0.01 . . . . . . 132 G HN . 27046 1 225 . 1 1 49 49 GLY C C 13 170.921 0.1 . . . . . . 132 G C . 27046 1 226 . 1 1 49 49 GLY CA C 13 43.319 0.1 . . . . . . 132 G CA . 27046 1 227 . 1 1 49 49 GLY N N 15 108.342 0.05 . . . . . . 132 G N . 27046 1 228 . 1 1 50 50 TYR H H 1 8.518 0.01 . . . . . . 133 Y HN . 27046 1 229 . 1 1 50 50 TYR C C 13 175.400 0.1 . . . . . . 133 Y C . 27046 1 230 . 1 1 50 50 TYR CA C 13 56.986 0.1 . . . . . . 133 Y CA . 27046 1 231 . 1 1 50 50 TYR CB C 13 42.37 0.1 . . . . . . 133 Y CB . 27046 1 232 . 1 1 50 50 TYR N N 15 121.994 0.05 . . . . . . 133 Y N . 27046 1 233 . 1 1 51 51 ILE H H 1 9.402 0.01 . . . . . . 134 I HN . 27046 1 234 . 1 1 51 51 ILE C C 13 172.800 0.1 . . . . . . 134 I C . 27046 1 235 . 1 1 51 51 ILE CA C 13 58.052 0.1 . . . . . . 134 I CA . 27046 1 236 . 1 1 51 51 ILE CB C 13 42.010 0.1 . . . . . . 134 I CB . 27046 1 237 . 1 1 51 51 ILE N N 15 121.108 0.05 . . . . . . 134 I N . 27046 1 238 . 1 1 52 52 SER H H 1 9.092 0.01 . . . . . . 135 S HN . 27046 1 239 . 1 1 52 52 SER C C 13 172.652 0.1 . . . . . . 135 S C . 27046 1 240 . 1 1 52 52 SER CA C 13 57.142 0.1 . . . . . . 135 S CA . 27046 1 241 . 1 1 52 52 SER CB C 13 65.986 0.1 . . . . . . 135 S CB . 27046 1 242 . 1 1 52 52 SER N N 15 122.342 0.05 . . . . . . 135 S N . 27046 1 243 . 1 1 53 53 ARG H H 1 6.035 0.01 . . . . . . 136 R HN . 27046 1 244 . 1 1 53 53 ARG C C 13 175.189 0.1 . . . . . . 136 R C . 27046 1 245 . 1 1 53 53 ARG CA C 13 55.716 0.1 . . . . . . 136 R CA . 27046 1 246 . 1 1 53 53 ARG CB C 13 37.740 0.1 . . . . . . 136 R CB . 27046 1 247 . 1 1 53 53 ARG N N 15 115.235 0.05 . . . . . . 136 R N . 27046 1 248 . 1 1 54 54 CYS H H 1 9.646 0.01 . . . . . . 137 c HN . 27046 1 249 . 1 1 54 54 CYS C C 13 173.714 0.1 . . . . . . 137 c C . 27046 1 250 . 1 1 54 54 CYS CA C 13 56.782 0.1 . . . . . . 137 c CA . 27046 1 251 . 1 1 54 54 CYS CB C 13 42.12 0.1 . . . . . . 137 c CB . 27046 1 252 . 1 1 54 54 CYS N N 15 117.955 0.05 . . . . . . 137 c N . 27046 1 253 . 1 1 55 55 PHE H H 1 9.019 0.01 . . . . . . 138 F HN . 27046 1 254 . 1 1 55 55 PHE C C 13 173.541 0.1 . . . . . . 138 F C . 27046 1 255 . 1 1 55 55 PHE CA C 13 58.413 0.1 . . . . . . 138 F CA . 27046 1 256 . 1 1 55 55 PHE CB C 13 41.318 0.1 . . . . . . 138 F CB . 27046 1 257 . 1 1 55 55 PHE N N 15 118.703 0.05 . . . . . . 138 F N . 27046 1 258 . 1 1 56 56 THR H H 1 8.414 0.01 . . . . . . 139 T HN . 27046 1 259 . 1 1 56 56 THR C C 13 172.772 0.1 . . . . . . 139 T C . 27046 1 260 . 1 1 56 56 THR CA C 13 62.749 0.1 . . . . . . 139 T CA . 27046 1 261 . 1 1 56 56 THR CB C 13 71.942 0.1 . . . . . . 139 T CB . 27046 1 262 . 1 1 56 56 THR N N 15 116.186 0.05 . . . . . . 139 T N . 27046 1 263 . 1 1 57 57 ARG H H 1 9.899 0.01 . . . . . . 140 R HN . 27046 1 264 . 1 1 57 57 ARG C C 13 176.212 0.1 . . . . . . 140 R C . 27046 1 265 . 1 1 57 57 ARG CA C 13 54.354 0.1 . . . . . . 140 R CA . 27046 1 266 . 1 1 57 57 ARG CB C 13 29.758 0.1 . . . . . . 140 R CB . 27046 1 267 . 1 1 57 57 ARG N N 15 129.372 0.05 . . . . . . 140 R N . 27046 1 268 . 1 1 58 58 LYS H H 1 8.989 0.01 . . . . . . 141 K HN . 27046 1 269 . 1 1 58 58 LYS C C 13 176.212 0.1 . . . . . . 141 K C . 27046 1 270 . 1 1 58 58 LYS CA C 13 54.440 0.1 . . . . . . 141 K CA . 27046 1 271 . 1 1 58 58 LYS CB C 13 36.779 0.1 . . . . . . 141 K CB . 27046 1 272 . 1 1 58 58 LYS N N 15 124.730 0.05 . . . . . . 141 K N . 27046 1 273 . 1 1 59 59 TYR H H 1 9.360 0.01 . . . . . . 142 Y HN . 27046 1 274 . 1 1 59 59 TYR HB2 H 1 3.196 0.01 . . . . . . 142 Y HB2 . 27046 1 275 . 1 1 59 59 TYR HB3 H 1 2.614 0.01 . . . . . . 142 Y HB3 . 27046 1 276 . 1 1 59 59 TYR C C 13 175.586 0.1 . . . . . . 142 Y C . 27046 1 277 . 1 1 59 59 TYR CA C 13 56.776 0.1 . . . . . . 142 Y CA . 27046 1 278 . 1 1 59 59 TYR CB C 13 41.994 0.1 . . . . . . 142 Y CB . 27046 1 279 . 1 1 59 59 TYR N N 15 121.393 0.05 . . . . . . 142 Y N . 27046 1 280 . 1 1 60 60 THR H H 1 8.917 0.01 . . . . . . 143 T HN . 27046 1 281 . 1 1 60 60 THR C C 13 174.471 0.1 . . . . . . 143 T C . 27046 1 282 . 1 1 60 60 THR CA C 13 62.951 0.1 . . . . . . 143 T CA . 27046 1 283 . 1 1 60 60 THR CB C 13 69.156 0.1 . . . . . . 143 T CB . 27046 1 284 . 1 1 60 60 THR N N 15 119.276 0.05 . . . . . . 143 T N . 27046 1 285 . 1 1 61 61 LEU H H 1 8.210 0.01 . . . . . . 144 L HN . 27046 1 286 . 1 1 61 61 LEU C C 13 175.592 0.1 . . . . . . 144 L C . 27046 1 287 . 1 1 61 61 LEU CA C 13 52.619 0.1 . . . . . . 144 L CA . 27046 1 288 . 1 1 61 61 LEU N N 15 128.507 0.05 . . . . . . 144 L N . 27046 1 289 . 1 1 63 63 PRO C C 13 177.621 0.1 . . . . . . 146 P C . 27046 1 290 . 1 1 63 63 PRO CA C 13 63.628 0.1 . . . . . . 146 P CA . 27046 1 291 . 1 1 63 63 PRO CB C 13 31.647 0.1 . . . . . . 146 P CB . 27046 1 292 . 1 1 63 63 PRO CG C 13 27.2663 0.1 . . . . . . 146 P CG . 27046 1 293 . 1 1 64 64 GLY H H 1 8.539 0.01 . . . . . . 147 G HN . 27046 1 294 . 1 1 64 64 GLY C C 13 174.671 0.1 . . . . . . 147 G C . 27046 1 295 . 1 1 64 64 GLY CA C 13 45.217 0.1 . . . . . . 147 G CA . 27046 1 296 . 1 1 64 64 GLY N N 15 109.487 0.05 . . . . . . 147 G N . 27046 1 297 . 1 1 65 65 VAL H H 1 7.075 0.01 . . . . . . 148 V HN . 27046 1 298 . 1 1 65 65 VAL C C 13 175.100 0.1 . . . . . . 148 V C . 27046 1 299 . 1 1 65 65 VAL CA C 13 62.699 0.1 . . . . . . 148 V CA . 27046 1 300 . 1 1 65 65 VAL CB C 13 32.056 0.1 . . . . . . 148 V CB . 27046 1 301 . 1 1 65 65 VAL N N 15 120.349 0.05 . . . . . . 148 V N . 27046 1 302 . 1 1 66 66 ASP H H 1 8.844 0.01 . . . . . . 149 D HN . 27046 1 303 . 1 1 66 66 ASP C C 13 175.359 0.1 . . . . . . 149 D C . 27046 1 304 . 1 1 66 66 ASP CA C 13 50.440 0.1 . . . . . . 149 D CA . 27046 1 305 . 1 1 66 66 ASP N N 15 130.322 0.05 . . . . . . 149 D N . 27046 1 306 . 1 1 67 67 PRO C C 13 178.501 0.1 . . . . . . 150 P C . 27046 1 307 . 1 1 67 67 PRO CA C 13 64.420 0.1 . . . . . . 150 P CA . 27046 1 308 . 1 1 67 67 PRO CB C 13 32.420 0.1 . . . . . . 150 P CB . 27046 1 309 . 1 1 67 67 PRO CG C 13 27.782 0.1 . . . . . . 150 P CG . 27046 1 310 . 1 1 68 68 THR H H 1 8.379 0.01 . . . . . . 151 T HN . 27046 1 311 . 1 1 68 68 THR C C 13 175.980 0.1 . . . . . . 151 T C . 27046 1 312 . 1 1 68 68 THR CA C 13 63.870 0.1 . . . . . . 151 T CA . 27046 1 313 . 1 1 68 68 THR CB C 13 69.254 0.1 . . . . . . 151 T CB . 27046 1 314 . 1 1 68 68 THR N N 15 108.584 0.05 . . . . . . 151 T N . 27046 1 315 . 1 1 69 69 GLN H H 1 8.069 0.01 . . . . . . 152 Q HN . 27046 1 316 . 1 1 69 69 GLN C C 13 174.988 0.1 . . . . . . 152 Q C . 27046 1 317 . 1 1 69 69 GLN CA C 13 55.015 0.1 . . . . . . 152 Q CA . 27046 1 318 . 1 1 69 69 GLN CB C 13 29.395 0.1 . . . . . . 152 Q CB . 27046 1 319 . 1 1 69 69 GLN N N 15 119.118 0.05 . . . . . . 152 Q N . 27046 1 320 . 1 1 70 70 VAL H H 1 6.951 0.01 . . . . . . 153 V HN . 27046 1 321 . 1 1 70 70 VAL C C 13 176.157 0.1 . . . . . . 153 V C . 27046 1 322 . 1 1 70 70 VAL CA C 13 62.754 0.1 . . . . . . 153 V CA . 27046 1 323 . 1 1 70 70 VAL CB C 13 32.200 0.1 . . . . . . 153 V CB . 27046 1 324 . 1 1 70 70 VAL N N 15 120.733 0.05 . . . . . . 153 V N . 27046 1 325 . 1 1 71 71 SER H H 1 9.537 0.01 . . . . . . 154 S HN . 27046 1 326 . 1 1 71 71 SER C C 13 172.165 0.1 . . . . . . 154 S C . 27046 1 327 . 1 1 71 71 SER CA C 13 56.811 0.1 . . . . . . 154 S CA . 27046 1 328 . 1 1 71 71 SER CB C 13 66.154 0.1 . . . . . . 154 S CB . 27046 1 329 . 1 1 71 71 SER N N 15 124.946 0.05 . . . . . . 154 S N . 27046 1 330 . 1 1 72 72 SER H H 1 8.442 0.01 . . . . . . 155 S HN . 27046 1 331 . 1 1 72 72 SER C C 13 173.605 0.1 . . . . . . 155 S C . 27046 1 332 . 1 1 72 72 SER CA C 13 57.002 0.1 . . . . . . 155 S CA . 27046 1 333 . 1 1 72 72 SER CB C 13 67.298 0.1 . . . . . . 155 S CB . 27046 1 334 . 1 1 72 72 SER N N 15 114.067 0.05 . . . . . . 155 S N . 27046 1 335 . 1 1 73 73 SER H H 1 8.726 0.01 . . . . . . 156 S HN . 27046 1 336 . 1 1 73 73 SER C C 13 171.850 0.1 . . . . . . 156 S C . 27046 1 337 . 1 1 73 73 SER CA C 13 57.510 0.1 . . . . . . 156 S CA . 27046 1 338 . 1 1 73 73 SER CB C 13 65.413 0.1 . . . . . . 156 S CB . 27046 1 339 . 1 1 73 73 SER N N 15 114.265 0.05 . . . . . . 156 S N . 27046 1 340 . 1 1 74 74 LEU H H 1 8.667 0.01 . . . . . . 157 L HN . 27046 1 341 . 1 1 74 74 LEU C C 13 176.243 0.1 . . . . . . 157 L C . 27046 1 342 . 1 1 74 74 LEU CA C 13 53.369 0.1 . . . . . . 157 L CA . 27046 1 343 . 1 1 74 74 LEU CB C 13 44.863 0.1 . . . . . . 157 L CB . 27046 1 344 . 1 1 74 74 LEU N N 15 127.124 0.05 . . . . . . 157 L N . 27046 1 345 . 1 1 75 75 SER H H 1 8.938 0.01 . . . . . . 158 S HN . 27046 1 346 . 1 1 75 75 SER C C 13 174.914 0.1 . . . . . . 158 S C . 27046 1 347 . 1 1 75 75 SER CA C 13 56.151 0.1 . . . . . . 158 S CA . 27046 1 348 . 1 1 75 75 SER N N 15 124.246 0.05 . . . . . . 158 S N . 27046 1 349 . 1 1 76 76 PRO C C 13 177.234 0.1 . . . . . . 159 P C . 27046 1 350 . 1 1 76 76 PRO CA C 13 64.691 0.1 . . . . . . 159 P CA . 27046 1 351 . 1 1 76 76 PRO CB C 13 31.820 0.1 . . . . . . 159 P CB . 27046 1 352 . 1 1 76 76 PRO CG C 13 27.782 0.1 . . . . . . 159 P CG . 27046 1 353 . 1 1 77 77 GLU H H 1 7.981 0.01 . . . . . . 160 E HN . 27046 1 354 . 1 1 77 77 GLU C C 13 176.641 0.1 . . . . . . 160 E C . 27046 1 355 . 1 1 77 77 GLU CA C 13 56.786 0.1 . . . . . . 160 E CA . 27046 1 356 . 1 1 77 77 GLU CB C 13 28.859 0.1 . . . . . . 160 E CB . 27046 1 357 . 1 1 77 77 GLU N N 15 113.924 0.05 . . . . . . 160 E N . 27046 1 358 . 1 1 78 78 GLY H H 1 8.166 0.01 . . . . . . 161 G HN . 27046 1 359 . 1 1 78 78 GLY C C 13 172.826 0.1 . . . . . . 161 G C . 27046 1 360 . 1 1 78 78 GLY CA C 13 46.570 0.1 . . . . . . 161 G CA . 27046 1 361 . 1 1 78 78 GLY N N 15 108.228 0.05 . . . . . . 161 G N . 27046 1 362 . 1 1 79 79 THR H H 1 7.469 0.01 . . . . . . 162 T HN . 27046 1 363 . 1 1 79 79 THR C C 13 173.889 0.1 . . . . . . 162 T C . 27046 1 364 . 1 1 79 79 THR CA C 13 61.468 0.1 . . . . . . 162 T CA . 27046 1 365 . 1 1 79 79 THR CB C 13 69.567 0.1 . . . . . . 162 T CB . 27046 1 366 . 1 1 79 79 THR N N 15 114.140 0.05 . . . . . . 162 T N . 27046 1 367 . 1 1 80 80 LEU H H 1 9.584 0.01 . . . . . . 163 L HN . 27046 1 368 . 1 1 80 80 LEU C C 13 174.824 0.1 . . . . . . 163 L C . 27046 1 369 . 1 1 80 80 LEU CA C 13 53.701 0.1 . . . . . . 163 L CA . 27046 1 370 . 1 1 80 80 LEU CB C 13 44.960 0.1 . . . . . . 163 L CB . 27046 1 371 . 1 1 80 80 LEU N N 15 134.550 0.05 . . . . . . 163 L N . 27046 1 372 . 1 1 81 81 THR H H 1 9.227 0.01 . . . . . . 164 T HN . 27046 1 373 . 1 1 81 81 THR C C 13 173.730 0.1 . . . . . . 164 T C . 27046 1 374 . 1 1 81 81 THR CA C 13 61.719 0.1 . . . . . . 164 T CA . 27046 1 375 . 1 1 81 81 THR CB C 13 70.305 0.1 . . . . . . 164 T CB . 27046 1 376 . 1 1 81 81 THR N N 15 123.920 0.05 . . . . . . 164 T N . 27046 1 377 . 1 1 82 82 VAL H H 1 8.921 0.01 . . . . . . 165 V HN . 27046 1 378 . 1 1 82 82 VAL C C 13 173.391 0.1 . . . . . . 165 V C . 27046 1 379 . 1 1 82 82 VAL CA C 13 60.708 0.1 . . . . . . 165 V CA . 27046 1 380 . 1 1 82 82 VAL CB C 13 33.392 0.1 . . . . . . 165 V CB . 27046 1 381 . 1 1 82 82 VAL N N 15 128.824 0.05 . . . . . . 165 V N . 27046 1 382 . 1 1 83 83 GLU H H 1 8.973 0.01 . . . . . . 166 E HN . 27046 1 383 . 1 1 83 83 GLU C C 13 174.361 0.1 . . . . . . 166 E C . 27046 1 384 . 1 1 83 83 GLU CA C 13 54.133 0.1 . . . . . . 166 E CA . 27046 1 385 . 1 1 83 83 GLU CB C 13 35.900 0.1 . . . . . . 166 E CB . 27046 1 386 . 1 1 83 83 GLU N N 15 122.018 0.05 . . . . . . 166 E N . 27046 1 387 . 1 1 84 84 ALA H H 1 9.392 0.01 . . . . . . 167 A HN . 27046 1 388 . 1 1 84 84 ALA C C 13 173.654 0.1 . . . . . . 167 A C . 27046 1 389 . 1 1 84 84 ALA CA C 13 50.401 0.1 . . . . . . 167 A CA . 27046 1 390 . 1 1 84 84 ALA N N 15 120.898 0.05 . . . . . . 167 A N . 27046 1 391 . 1 1 85 85 PRO C C 13 176.317 0.1 . . . . . . 168 P C . 27046 1 392 . 1 1 85 85 PRO CA C 13 62.742 0.1 . . . . . . 168 P CA . 27046 1 393 . 1 1 85 85 PRO CB C 13 32.078 0.1 . . . . . . 168 P CB . 27046 1 394 . 1 1 85 85 PRO CG C 13 27.463 0.1 . . . . . . 168 P CG . 27046 1 395 . 1 1 85 85 PRO CD C 13 50.875 0.1 . . . . . . 168 P CD . 27046 1 396 . 1 1 86 86 MET H H 1 7.813 0.01 . . . . . . 169 M HN . 27046 1 397 . 1 1 86 86 MET C C 13 174.491 0.1 . . . . . . 169 M C . 27046 1 398 . 1 1 86 86 MET CA C 13 52.467 0.1 . . . . . . 169 M CA . 27046 1 399 . 1 1 86 86 MET N N 15 120.595 0.05 . . . . . . 169 M N . 27046 1 400 . 1 1 87 87 PRO C C 13 175.860 0.1 . . . . . . 170 P C . 27046 1 401 . 1 1 87 87 PRO CA C 13 63.208 0.1 . . . . . . 170 P CA . 27046 1 402 . 1 1 87 87 PRO CB C 13 32.082 0.1 . . . . . . 170 P CB . 27046 1 403 . 1 1 87 87 PRO CG C 13 27.541 0.1 . . . . . . 170 P CG . 27046 1 404 . 1 1 87 87 PRO CD C 13 50.556 0.1 . . . . . . 170 P CD . 27046 1 405 . 1 1 88 88 LYS H H 1 8.001 0.01 . . . . . . 171 K HN . 27046 1 406 . 1 1 88 88 LYS C C 13 181.500 0.1 . . . . . . 171 K C . 27046 1 407 . 1 1 88 88 LYS CA C 13 57.563 0.1 . . . . . . 171 K CA . 27046 1 408 . 1 1 88 88 LYS N N 15 126.935 0.05 . . . . . . 171 K N . 27046 1 stop_ save_