################################### # 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 25422 _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' . . . 25422 1 2 '3D HNCACB' . . . 25422 1 3 '3D CBCA(CO)NH' . . . 25422 1 4 '3D HNCO' . . . 25422 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 GLY C C 13 168.049 0.000 . 1 . . . . 1 G C . 25422 1 2 . 1 1 1 1 GLY CA C 13 42.628 0.000 . 1 . . . . 1 G CA . 25422 1 3 . 1 1 2 2 ASP H H 1 9.295 0.005 . 1 . . . . 2 D H . 25422 1 4 . 1 1 2 2 ASP C C 13 175.654 0.000 . 1 . . . . 2 D C . 25422 1 5 . 1 1 2 2 ASP CA C 13 52.833 0.061 . 1 . . . . 2 D CA . 25422 1 6 . 1 1 2 2 ASP CB C 13 42.458 0.088 . 1 . . . . 2 D CB . 25422 1 7 . 1 1 2 2 ASP N N 15 124.555 0.023 . 1 . . . . 2 D N . 25422 1 8 . 1 1 3 3 VAL H H 1 8.437 0.003 . 1 . . . . 3 V H . 25422 1 9 . 1 1 3 3 VAL C C 13 177.338 0.000 . 1 . . . . 3 V C . 25422 1 10 . 1 1 3 3 VAL CA C 13 66.144 0.008 . 1 . . . . 3 V CA . 25422 1 11 . 1 1 3 3 VAL CB C 13 31.931 0.006 . 1 . . . . 3 V CB . 25422 1 12 . 1 1 3 3 VAL N N 15 123.513 0.011 . 1 . . . . 3 V N . 25422 1 13 . 1 1 4 4 GLU H H 1 7.928 0.004 . 1 . . . . 4 E H . 25422 1 14 . 1 1 4 4 GLU C C 13 180.117 0.000 . 1 . . . . 4 E C . 25422 1 15 . 1 1 4 4 GLU CA C 13 59.147 0.060 . 1 . . . . 4 E CA . 25422 1 16 . 1 1 4 4 GLU CB C 13 28.464 0.014 . 1 . . . . 4 E CB . 25422 1 17 . 1 1 4 4 GLU N N 15 120.456 0.016 . 1 . . . . 4 E N . 25422 1 18 . 1 1 5 5 LYS H H 1 7.913 0.003 . 1 . . . . 5 K H . 25422 1 19 . 1 1 5 5 LYS C C 13 180.504 0.000 . 1 . . . . 5 K C . 25422 1 20 . 1 1 5 5 LYS CA C 13 59.585 0.051 . 1 . . . . 5 K CA . 25422 1 21 . 1 1 5 5 LYS CB C 13 32.493 0.063 . 1 . . . . 5 K CB . 25422 1 22 . 1 1 5 5 LYS N N 15 120.984 0.012 . 1 . . . . 5 K N . 25422 1 23 . 1 1 6 6 GLY H H 1 8.472 0.006 . 1 . . . . 6 G H . 25422 1 24 . 1 1 6 6 GLY C C 13 173.937 0.000 . 1 . . . . 6 G C . 25422 1 25 . 1 1 6 6 GLY CA C 13 46.413 0.035 . 1 . . . . 6 G CA . 25422 1 26 . 1 1 6 6 GLY N N 15 106.967 0.085 . 1 . . . . 6 G N . 25422 1 27 . 1 1 7 7 LYS H H 1 7.829 0.003 . 1 . . . . 7 K H . 25422 1 28 . 1 1 7 7 LYS C C 13 177.509 0.000 . 1 . . . . 7 K C . 25422 1 29 . 1 1 7 7 LYS CA C 13 59.202 0.060 . 1 . . . . 7 K CA . 25422 1 30 . 1 1 7 7 LYS CB C 13 32.114 0.008 . 1 . . . . 7 K CB . 25422 1 31 . 1 1 7 7 LYS N N 15 124.124 0.018 . 1 . . . . 7 K N . 25422 1 32 . 1 1 8 8 LYS H H 1 6.720 0.006 . 1 . . . . 8 K H . 25422 1 33 . 1 1 8 8 LYS C C 13 179.168 0.000 . 1 . . . . 8 K C . 25422 1 34 . 1 1 8 8 LYS CA C 13 59.561 0.029 . 1 . . . . 8 K CA . 25422 1 35 . 1 1 8 8 LYS CB C 13 31.727 0.024 . 1 . . . . 8 K CB . 25422 1 36 . 1 1 8 8 LYS N N 15 116.845 0.021 . 1 . . . . 8 K N . 25422 1 37 . 1 1 9 9 ILE H H 1 7.332 0.006 . 1 . . . . 9 I H . 25422 1 38 . 1 1 9 9 ILE C C 13 176.762 0.000 . 1 . . . . 9 I C . 25422 1 39 . 1 1 9 9 ILE CA C 13 64.730 0.010 . 1 . . . . 9 I CA . 25422 1 40 . 1 1 9 9 ILE CB C 13 37.214 0.033 . 1 . . . . 9 I CB . 25422 1 41 . 1 1 9 9 ILE N N 15 119.034 0.007 . 1 . . . . 9 I N . 25422 1 42 . 1 1 10 10 PHE H H 1 8.263 0.004 . 1 . . . . 10 F H . 25422 1 43 . 1 1 10 10 PHE C C 13 178.846 0.000 . 1 . . . . 10 F C . 25422 1 44 . 1 1 10 10 PHE CA C 13 62.391 0.023 . 1 . . . . 10 F CA . 25422 1 45 . 1 1 10 10 PHE CB C 13 39.283 0.015 . 1 . . . . 10 F CB . 25422 1 46 . 1 1 10 10 PHE N N 15 120.533 0.014 . 1 . . . . 10 F N . 25422 1 47 . 1 1 11 11 ILE H H 1 8.802 0.003 . 1 . . . . 11 I H . 25422 1 48 . 1 1 11 11 ILE C C 13 178.968 0.000 . 1 . . . . 11 I C . 25422 1 49 . 1 1 11 11 ILE CA C 13 65.792 0.008 . 1 . . . . 11 I CA . 25422 1 50 . 1 1 11 11 ILE CB C 13 37.817 0.042 . 1 . . . . 11 I CB . 25422 1 51 . 1 1 11 11 ILE N N 15 121.724 0.020 . 1 . . . . 11 I N . 25422 1 52 . 1 1 12 12 MET H H 1 7.812 0.005 . 1 . . . . 12 M H . 25422 1 53 . 1 1 12 12 MET C C 13 177.854 0.000 . 1 . . . . 12 M C . 25422 1 54 . 1 1 12 12 MET CA C 13 58.444 0.009 . 1 . . . . 12 M CA . 25422 1 55 . 1 1 12 12 MET CB C 13 33.446 0.040 . 1 . . . . 12 M CB . 25422 1 56 . 1 1 12 12 MET N N 15 117.279 0.018 . 1 . . . . 12 M N . 25422 1 57 . 1 1 13 13 LYS H H 1 8.370 0.004 . 1 . . . . 13 K H . 25422 1 58 . 1 1 13 13 LYS C C 13 176.523 0.000 . 1 . . . . 13 K C . 25422 1 59 . 1 1 13 13 LYS CA C 13 56.574 0.025 . 1 . . . . 13 K CA . 25422 1 60 . 1 1 13 13 LYS CB C 13 33.992 0.070 . 1 . . . . 13 K CB . 25422 1 61 . 1 1 13 13 LYS N N 15 112.341 0.015 . 1 . . . . 13 K N . 25422 1 62 . 1 1 14 14 CYS H H 1 7.721 0.006 . 1 . . . . 14 C H . 25422 1 63 . 1 1 14 14 CYS C C 13 179.087 0.000 . 1 . . . . 14 C C . 25422 1 64 . 1 1 14 14 CYS CA C 13 54.174 0.097 . 1 . . . . 14 C CA . 25422 1 65 . 1 1 14 14 CYS CB C 13 37.109 0.037 . 1 . . . . 14 C CB . 25422 1 66 . 1 1 14 14 CYS N N 15 114.195 0.055 . 1 . . . . 14 C N . 25422 1 67 . 1 1 15 15 SER H H 1 7.918 0.006 . 1 . . . . 15 S H . 25422 1 68 . 1 1 15 15 SER C C 13 175.802 0.000 . 1 . . . . 15 S C . 25422 1 69 . 1 1 15 15 SER CA C 13 62.397 0.091 . 1 . . . . 15 S CA . 25422 1 70 . 1 1 15 15 SER CB C 13 63.497 0.042 . 1 . . . . 15 S CB . 25422 1 71 . 1 1 15 15 SER N N 15 116.471 0.039 . 1 . . . . 15 S N . 25422 1 72 . 1 1 16 16 GLN H H 1 9.966 0.004 . 1 . . . . 16 Q H . 25422 1 73 . 1 1 16 16 GLN C C 13 178.047 0.000 . 1 . . . . 16 Q C . 25422 1 74 . 1 1 16 16 GLN CA C 13 59.215 0.076 . 1 . . . . 16 Q CA . 25422 1 75 . 1 1 16 16 GLN CB C 13 28.448 0.015 . 1 . . . . 16 Q CB . 25422 1 76 . 1 1 16 16 GLN N N 15 122.744 0.034 . 1 . . . . 16 Q N . 25422 1 77 . 1 1 17 17 CYS H H 1 9.511 0.005 . 1 . . . . 17 C H . 25422 1 78 . 1 1 17 17 CYS C C 13 176.193 0.000 . 1 . . . . 17 C C . 25422 1 79 . 1 1 17 17 CYS CA C 13 58.117 0.041 . 1 . . . . 17 C CA . 25422 1 80 . 1 1 17 17 CYS CB C 13 36.131 0.025 . 1 . . . . 17 C CB . 25422 1 81 . 1 1 17 17 CYS N N 15 113.399 0.015 . 1 . . . . 17 C N . 25422 1 82 . 1 1 18 18 HIS H H 1 10.954 0.005 . 1 . . . . 18 H H . 25422 1 83 . 1 1 18 18 HIS C C 13 177.107 0.000 . 1 . . . . 18 H C . 25422 1 84 . 1 1 18 18 HIS CA C 13 77.562 0.052 . 1 . . . . 18 H CA . 25422 1 85 . 1 1 18 18 HIS CB C 13 26.400 0.031 . 1 . . . . 18 H CB . 25422 1 86 . 1 1 18 18 HIS N N 15 118.568 0.012 . 1 . . . . 18 H N . 25422 1 87 . 1 1 19 19 THR H H 1 10.558 0.003 . 1 . . . . 19 T H . 25422 1 88 . 1 1 19 19 THR C C 13 176.044 0.000 . 1 . . . . 19 T C . 25422 1 89 . 1 1 19 19 THR CA C 13 60.790 0.039 . 1 . . . . 19 T CA . 25422 1 90 . 1 1 19 19 THR CB C 13 72.677 0.026 . 1 . . . . 19 T CB . 25422 1 91 . 1 1 19 19 THR N N 15 113.718 0.024 . 1 . . . . 19 T N . 25422 1 92 . 1 1 20 20 VAL H H 1 8.804 0.003 . 1 . . . . 20 V H . 25422 1 93 . 1 1 20 20 VAL CA C 13 62.139 0.000 . 1 . . . . 20 V CA . 25422 1 94 . 1 1 20 20 VAL CB C 13 34.420 0.000 . 1 . . . . 20 V CB . 25422 1 95 . 1 1 20 20 VAL N N 15 111.491 0.082 . 1 . . . . 20 V N . 25422 1 96 . 1 1 21 21 GLU C C 13 178.044 0.000 . 1 . . . . 21 E C . 25422 1 97 . 1 1 21 21 GLU CA C 13 57.073 0.032 . 1 . . . . 21 E CA . 25422 1 98 . 1 1 21 21 GLU CB C 13 30.135 0.010 . 1 . . . . 21 E CB . 25422 1 99 . 1 1 22 22 LYS H H 1 8.979 0.007 . 1 . . . . 22 K H . 25422 1 100 . 1 1 22 22 LYS C C 13 177.989 0.000 . 1 . . . . 22 K C . 25422 1 101 . 1 1 22 22 LYS CA C 13 58.185 0.070 . 1 . . . . 22 K CA . 25422 1 102 . 1 1 22 22 LYS CB C 13 31.284 0.023 . 1 . . . . 22 K CB . 25422 1 103 . 1 1 22 22 LYS N N 15 126.677 0.035 . 1 . . . . 22 K N . 25422 1 104 . 1 1 23 23 GLY H H 1 9.353 0.008 . 1 . . . . 23 G H . 25422 1 105 . 1 1 23 23 GLY C C 13 174.918 0.000 . 1 . . . . 23 G C . 25422 1 106 . 1 1 23 23 GLY CA C 13 45.303 0.055 . 1 . . . . 23 G CA . 25422 1 107 . 1 1 23 23 GLY N N 15 117.877 0.046 . 1 . . . . 23 G N . 25422 1 108 . 1 1 24 24 GLY H H 1 8.118 0.014 . 1 . . . . 24 G H . 25422 1 109 . 1 1 24 24 GLY C C 13 172.698 0.000 . 1 . . . . 24 G C . 25422 1 110 . 1 1 24 24 GLY CA C 13 44.690 0.028 . 1 . . . . 24 G CA . 25422 1 111 . 1 1 24 24 GLY N N 15 107.724 0.028 . 1 . . . . 24 G N . 25422 1 112 . 1 1 25 25 LYS H H 1 8.713 0.003 . 1 . . . . 25 K H . 25422 1 113 . 1 1 25 25 LYS C C 13 179.349 0.000 . 1 . . . . 25 K C . 25422 1 114 . 1 1 25 25 LYS CA C 13 56.146 0.038 . 1 . . . . 25 K CA . 25422 1 115 . 1 1 25 25 LYS CB C 13 33.395 0.014 . 1 . . . . 25 K CB . 25422 1 116 . 1 1 25 25 LYS N N 15 118.855 0.027 . 1 . . . . 25 K N . 25422 1 117 . 1 1 26 26 HIS H H 1 8.743 0.003 . 1 . . . . 26 H H . 25422 1 118 . 1 1 26 26 HIS C C 13 175.742 0.000 . 1 . . . . 26 H C . 25422 1 119 . 1 1 26 26 HIS CA C 13 56.224 0.025 . 1 . . . . 26 H CA . 25422 1 120 . 1 1 26 26 HIS CB C 13 30.705 0.030 . 1 . . . . 26 H CB . 25422 1 121 . 1 1 26 26 HIS N N 15 121.926 0.016 . 1 . . . . 26 H N . 25422 1 122 . 1 1 27 27 LYS H H 1 8.145 0.005 . 1 . . . . 27 K H . 25422 1 123 . 1 1 27 27 LYS CA C 13 55.373 0.000 . 1 . . . . 27 K CA . 25422 1 124 . 1 1 27 27 LYS CB C 13 32.288 0.000 . 1 . . . . 27 K CB . 25422 1 125 . 1 1 27 27 LYS N N 15 126.047 0.020 . 1 . . . . 27 K N . 25422 1 126 . 1 1 28 28 THR C C 13 173.553 0.000 . 1 . . . . 28 T C . 25422 1 127 . 1 1 28 28 THR CA C 13 66.200 0.000 . 1 . . . . 28 T CA . 25422 1 128 . 1 1 28 28 THR CB C 13 68.853 0.000 . 1 . . . . 28 T CB . 25422 1 129 . 1 1 29 29 GLY H H 1 7.277 0.007 . 1 . . . . 29 G H . 25422 1 130 . 1 1 29 29 GLY N N 15 103.703 0.036 . 1 . . . . 29 G N . 25422 1 131 . 1 1 30 30 PRO C C 13 178.041 0.000 . 1 . . . . 30 P C . 25422 1 132 . 1 1 30 30 PRO CA C 13 60.405 0.000 . 1 . . . . 30 P CA . 25422 1 133 . 1 1 30 30 PRO CB C 13 29.879 0.000 . 1 . . . . 30 P CB . 25422 1 134 . 1 1 31 31 ASN H H 1 11.388 0.007 . 1 . . . . 31 N H . 25422 1 135 . 1 1 31 31 ASN C C 13 176.947 0.000 . 1 . . . . 31 N C . 25422 1 136 . 1 1 31 31 ASN CA C 13 56.203 0.056 . 1 . . . . 31 N CA . 25422 1 137 . 1 1 31 31 ASN CB C 13 41.213 0.003 . 1 . . . . 31 N CB . 25422 1 138 . 1 1 31 31 ASN N N 15 127.021 0.110 . 1 . . . . 31 N N . 25422 1 139 . 1 1 32 32 LEU H H 1 9.425 0.003 . 1 . . . . 32 L H . 25422 1 140 . 1 1 32 32 LEU C C 13 175.479 0.000 . 1 . . . . 32 L C . 25422 1 141 . 1 1 32 32 LEU CA C 13 54.307 0.070 . 1 . . . . 32 L CA . 25422 1 142 . 1 1 32 32 LEU CB C 13 44.508 0.031 . 1 . . . . 32 L CB . 25422 1 143 . 1 1 32 32 LEU N N 15 121.823 0.035 . 1 . . . . 32 L N . 25422 1 144 . 1 1 33 33 HIS H H 1 7.974 0.012 . 1 . . . . 33 H H . 25422 1 145 . 1 1 33 33 HIS C C 13 178.916 0.000 . 1 . . . . 33 H C . 25422 1 146 . 1 1 33 33 HIS CA C 13 63.119 0.023 . 1 . . . . 33 H CA . 25422 1 147 . 1 1 33 33 HIS CB C 13 31.843 0.047 . 1 . . . . 33 H CB . 25422 1 148 . 1 1 33 33 HIS N N 15 119.737 0.041 . 1 . . . . 33 H N . 25422 1 149 . 1 1 34 34 GLY H H 1 8.866 0.003 . 1 . . . . 34 G H . 25422 1 150 . 1 1 34 34 GLY C C 13 174.216 0.000 . 1 . . . . 34 G C . 25422 1 151 . 1 1 34 34 GLY CA C 13 45.661 0.059 . 1 . . . . 34 G CA . 25422 1 152 . 1 1 34 34 GLY N N 15 111.484 0.016 . 1 . . . . 34 G N . 25422 1 153 . 1 1 35 35 LEU H H 1 6.880 0.008 . 1 . . . . 35 L H . 25422 1 154 . 1 1 35 35 LEU C C 13 177.261 0.000 . 1 . . . . 35 L C . 25422 1 155 . 1 1 35 35 LEU CA C 13 57.866 0.044 . 1 . . . . 35 L CA . 25422 1 156 . 1 1 35 35 LEU CB C 13 44.453 0.027 . 1 . . . . 35 L CB . 25422 1 157 . 1 1 35 35 LEU N N 15 116.909 0.027 . 1 . . . . 35 L N . 25422 1 158 . 1 1 36 36 PHE H H 1 8.548 0.003 . 1 . . . . 36 F H . 25422 1 159 . 1 1 36 36 PHE C C 13 177.696 0.000 . 1 . . . . 36 F C . 25422 1 160 . 1 1 36 36 PHE CA C 13 60.379 0.024 . 1 . . . . 36 F CA . 25422 1 161 . 1 1 36 36 PHE CB C 13 37.152 0.011 . 1 . . . . 36 F CB . 25422 1 162 . 1 1 36 36 PHE N N 15 112.195 0.014 . 1 . . . . 36 F N . 25422 1 163 . 1 1 37 37 GLY H H 1 8.922 0.003 . 1 . . . . 37 G H . 25422 1 164 . 1 1 37 37 GLY C C 13 172.966 0.000 . 1 . . . . 37 G C . 25422 1 165 . 1 1 37 37 GLY CA C 13 44.956 0.057 . 1 . . . . 37 G CA . 25422 1 166 . 1 1 37 37 GLY N N 15 109.951 0.046 . 1 . . . . 37 G N . 25422 1 167 . 1 1 38 38 ARG H H 1 7.695 0.006 . 1 . . . . 38 R H . 25422 1 168 . 1 1 38 38 ARG C C 13 174.511 0.000 . 1 . . . . 38 R C . 25422 1 169 . 1 1 38 38 ARG CA C 13 54.291 0.048 . 1 . . . . 38 R CA . 25422 1 170 . 1 1 38 38 ARG CB C 13 33.928 0.027 . 1 . . . . 38 R CB . 25422 1 171 . 1 1 38 38 ARG N N 15 121.808 0.045 . 1 . . . . 38 R N . 25422 1 172 . 1 1 39 39 LYS H H 1 7.988 0.007 . 1 . . . . 39 K H . 25422 1 173 . 1 1 39 39 LYS CA C 13 59.475 0.000 . 1 . . . . 39 K CA . 25422 1 174 . 1 1 39 39 LYS CB C 13 29.787 0.000 . 1 . . . . 39 K CB . 25422 1 175 . 1 1 39 39 LYS N N 15 121.123 0.059 . 1 . . . . 39 K N . 25422 1 176 . 1 1 40 40 THR C C 13 175.657 0.000 . 1 . . . . 40 T C . 25422 1 177 . 1 1 40 40 THR CA C 13 61.393 0.000 . 1 . . . . 40 T CA . 25422 1 178 . 1 1 40 40 THR CB C 13 69.757 0.000 . 1 . . . . 40 T CB . 25422 1 179 . 1 1 41 41 SER H H 1 9.116 0.005 . 1 . . . . 41 S H . 25422 1 180 . 1 1 41 41 SER CA C 13 60.677 0.000 . 1 . . . . 41 S CA . 25422 1 181 . 1 1 41 41 SER N N 15 111.037 0.062 . 1 . . . . 41 S N . 25422 1 182 . 1 1 42 42 GLN C C 13 176.160 0.000 . 1 . . . . 42 Q C . 25422 1 183 . 1 1 42 42 GLN CA C 13 53.963 0.048 . 1 . . . . 42 Q CA . 25422 1 184 . 1 1 42 42 GLN CB C 13 29.396 0.015 . 1 . . . . 42 Q CB . 25422 1 185 . 1 1 43 43 ALA H H 1 7.575 0.005 . 1 . . . . 43 A H . 25422 1 186 . 1 1 43 43 ALA CA C 13 51.483 0.000 . 1 . . . . 43 A CA . 25422 1 187 . 1 1 43 43 ALA CB C 13 18.686 0.000 . 1 . . . . 43 A CB . 25422 1 188 . 1 1 43 43 ALA N N 15 125.119 0.020 . 1 . . . . 43 A N . 25422 1 189 . 1 1 44 44 PRO C C 13 177.354 0.000 . 1 . . . . 44 P C . 25422 1 190 . 1 1 45 45 GLY H H 1 8.881 0.009 . 1 . . . . 45 G H . 25422 1 191 . 1 1 45 45 GLY C C 13 172.439 0.000 . 1 . . . . 45 G C . 25422 1 192 . 1 1 45 45 GLY CA C 13 45.649 0.025 . 1 . . . . 45 G CA . 25422 1 193 . 1 1 45 45 GLY N N 15 114.305 0.007 . 1 . . . . 45 G N . 25422 1 194 . 1 1 46 46 TYR H H 1 6.686 0.008 . 1 . . . . 46 Y H . 25422 1 195 . 1 1 46 46 TYR C C 13 172.948 0.000 . 1 . . . . 46 Y C . 25422 1 196 . 1 1 46 46 TYR CA C 13 56.785 0.037 . 1 . . . . 46 Y CA . 25422 1 197 . 1 1 46 46 TYR CB C 13 38.762 0.009 . 1 . . . . 46 Y CB . 25422 1 198 . 1 1 46 46 TYR N N 15 119.315 0.015 . 1 . . . . 46 Y N . 25422 1 199 . 1 1 47 47 SER H H 1 6.484 0.005 . 1 . . . . 47 S H . 25422 1 200 . 1 1 47 47 SER C C 13 170.813 0.000 . 1 . . . . 47 S C . 25422 1 201 . 1 1 47 47 SER CA C 13 55.675 0.000 . 1 . . . . 47 S CA . 25422 1 202 . 1 1 47 47 SER CB C 13 61.441 0.092 . 1 . . . . 47 S CB . 25422 1 203 . 1 1 47 47 SER N N 15 122.336 0.022 . 1 . . . . 47 S N . 25422 1 204 . 1 1 48 48 TYR H H 1 7.644 0.006 . 1 . . . . 48 Y H . 25422 1 205 . 1 1 48 48 TYR C C 13 177.633 0.000 . 1 . . . . 48 Y C . 25422 1 206 . 1 1 48 48 TYR CA C 13 57.823 0.042 . 1 . . . . 48 Y CA . 25422 1 207 . 1 1 48 48 TYR CB C 13 40.645 0.039 . 1 . . . . 48 Y CB . 25422 1 208 . 1 1 48 48 TYR N N 15 124.806 0.076 . 1 . . . . 48 Y N . 25422 1 209 . 1 1 49 49 THR H H 1 9.325 0.005 . 1 . . . . 49 T H . 25422 1 210 . 1 1 49 49 THR C C 13 175.791 0.000 . 1 . . . . 49 T C . 25422 1 211 . 1 1 49 49 THR CA C 13 61.864 0.037 . 1 . . . . 49 T CA . 25422 1 212 . 1 1 49 49 THR CB C 13 71.250 0.032 . 1 . . . . 49 T CB . 25422 1 213 . 1 1 49 49 THR N N 15 112.802 0.033 . 1 . . . . 49 T N . 25422 1 214 . 1 1 50 50 ALA H H 1 8.518 0.004 . 1 . . . . 50 A H . 25422 1 215 . 1 1 50 50 ALA C C 13 179.276 0.000 . 1 . . . . 50 A C . 25422 1 216 . 1 1 50 50 ALA CA C 13 54.666 0.016 . 1 . . . . 50 A CA . 25422 1 217 . 1 1 50 50 ALA CB C 13 17.159 0.074 . 1 . . . . 50 A CB . 25422 1 218 . 1 1 50 50 ALA N N 15 123.653 0.021 . 1 . . . . 50 A N . 25422 1 219 . 1 1 51 51 ALA H H 1 7.752 0.005 . 1 . . . . 51 A H . 25422 1 220 . 1 1 51 51 ALA C C 13 179.712 0.000 . 1 . . . . 51 A C . 25422 1 221 . 1 1 51 51 ALA CA C 13 55.230 0.005 . 1 . . . . 51 A CA . 25422 1 222 . 1 1 51 51 ALA CB C 13 18.321 0.055 . 1 . . . . 51 A CB . 25422 1 223 . 1 1 51 51 ALA N N 15 118.231 0.009 . 1 . . . . 51 A N . 25422 1 224 . 1 1 52 52 ASN H H 1 8.352 0.004 . 1 . . . . 52 N H . 25422 1 225 . 1 1 52 52 ASN C C 13 178.799 0.000 . 1 . . . . 52 N C . 25422 1 226 . 1 1 52 52 ASN CA C 13 57.918 0.053 . 1 . . . . 52 N CA . 25422 1 227 . 1 1 52 52 ASN CB C 13 40.720 0.022 . 1 . . . . 52 N CB . 25422 1 228 . 1 1 52 52 ASN N N 15 119.235 0.047 . 1 . . . . 52 N N . 25422 1 229 . 1 1 53 53 LYS H H 1 7.731 0.005 . 1 . . . . 53 K H . 25422 1 230 . 1 1 53 53 LYS CA C 13 59.225 0.000 . 1 . . . . 53 K CA . 25422 1 231 . 1 1 53 53 LYS CB C 13 32.377 0.000 . 1 . . . . 53 K CB . 25422 1 232 . 1 1 53 53 LYS N N 15 118.601 0.024 . 1 . . . . 53 K N . 25422 1 233 . 1 1 54 54 ASN C C 13 175.335 0.000 . 1 . . . . 54 N C . 25422 1 234 . 1 1 54 54 ASN CA C 13 53.458 0.000 . 1 . . . . 54 N CA . 25422 1 235 . 1 1 54 54 ASN CB C 13 38.177 0.000 . 1 . . . . 54 N CB . 25422 1 236 . 1 1 55 55 LYS H H 1 7.012 0.005 . 1 . . . . 55 K H . 25422 1 237 . 1 1 55 55 LYS N N 15 121.314 0.010 . 1 . . . . 55 K N . 25422 1 238 . 1 1 57 57 ILE C C 13 173.884 0.000 . 1 . . . . 57 I C . 25422 1 239 . 1 1 57 57 ILE CA C 13 57.940 0.000 . 1 . . . . 57 I CA . 25422 1 240 . 1 1 57 57 ILE CB C 13 41.720 0.000 . 1 . . . . 57 I CB . 25422 1 241 . 1 1 58 58 ILE H H 1 7.960 0.004 . 1 . . . . 58 I H . 25422 1 242 . 1 1 58 58 ILE C C 13 177.910 0.000 . 1 . . . . 58 I C . 25422 1 243 . 1 1 58 58 ILE CA C 13 58.022 0.062 . 1 . . . . 58 I CA . 25422 1 244 . 1 1 58 58 ILE CB C 13 38.196 0.005 . 1 . . . . 58 I CB . 25422 1 245 . 1 1 58 58 ILE N N 15 118.921 0.040 . 1 . . . . 58 I N . 25422 1 246 . 1 1 59 59 TRP H H 1 8.512 0.004 . 1 . . . . 59 W H . 25422 1 247 . 1 1 59 59 TRP HE1 H 1 9.503 0.000 . 1 . . . . 59 W HE1 . 25422 1 248 . 1 1 59 59 TRP C C 13 175.239 0.000 . 1 . . . . 59 W C . 25422 1 249 . 1 1 59 59 TRP CA C 13 56.987 0.037 . 1 . . . . 59 W CA . 25422 1 250 . 1 1 59 59 TRP CB C 13 30.018 0.022 . 1 . . . . 59 W CB . 25422 1 251 . 1 1 59 59 TRP N N 15 130.297 0.012 . 1 . . . . 59 W N . 25422 1 252 . 1 1 59 59 TRP NE1 N 15 125.748 0.000 . 1 . . . . 59 W NE1 . 25422 1 253 . 1 1 60 60 GLY H H 1 7.465 0.004 . 1 . . . . 60 G H . 25422 1 254 . 1 1 60 60 GLY C C 13 171.549 0.000 . 1 . . . . 60 G C . 25422 1 255 . 1 1 60 60 GLY CA C 13 44.294 0.037 . 1 . . . . 60 G CA . 25422 1 256 . 1 1 60 60 GLY N N 15 110.344 0.015 . 1 . . . . 60 G N . 25422 1 257 . 1 1 61 61 GLU H H 1 9.415 0.003 . 1 . . . . 61 E H . 25422 1 258 . 1 1 61 61 GLU C C 13 177.041 0.000 . 1 . . . . 61 E C . 25422 1 259 . 1 1 61 61 GLU CA C 13 61.666 0.048 . 1 . . . . 61 E CA . 25422 1 260 . 1 1 61 61 GLU CB C 13 29.341 0.013 . 1 . . . . 61 E CB . 25422 1 261 . 1 1 61 61 GLU N N 15 120.306 0.013 . 1 . . . . 61 E N . 25422 1 262 . 1 1 62 62 ASP H H 1 8.241 0.003 . 1 . . . . 62 D H . 25422 1 263 . 1 1 62 62 ASP C C 13 179.251 0.000 . 1 . . . . 62 D C . 25422 1 264 . 1 1 62 62 ASP CA C 13 56.966 0.052 . 1 . . . . 62 D CA . 25422 1 265 . 1 1 62 62 ASP CB C 13 39.340 0.011 . 1 . . . . 62 D CB . 25422 1 266 . 1 1 62 62 ASP N N 15 115.244 0.007 . 1 . . . . 62 D N . 25422 1 267 . 1 1 63 63 THR H H 1 8.098 0.004 . 1 . . . . 63 T H . 25422 1 268 . 1 1 63 63 THR C C 13 177.922 0.000 . 1 . . . . 63 T C . 25422 1 269 . 1 1 63 63 THR CA C 13 63.666 0.029 . 1 . . . . 63 T CA . 25422 1 270 . 1 1 63 63 THR CB C 13 68.925 0.033 . 1 . . . . 63 T CB . 25422 1 271 . 1 1 63 63 THR N N 15 113.304 0.018 . 1 . . . . 63 T N . 25422 1 272 . 1 1 64 64 LEU H H 1 8.405 0.004 . 1 . . . . 64 L H . 25422 1 273 . 1 1 64 64 LEU C C 13 178.228 0.000 . 1 . . . . 64 L C . 25422 1 274 . 1 1 64 64 LEU CA C 13 58.132 0.069 . 1 . . . . 64 L CA . 25422 1 275 . 1 1 64 64 LEU CB C 13 41.924 0.050 . 1 . . . . 64 L CB . 25422 1 276 . 1 1 64 64 LEU N N 15 120.113 0.005 . 1 . . . . 64 L N . 25422 1 277 . 1 1 65 65 MET H H 1 7.513 0.004 . 1 . . . . 65 M H . 25422 1 278 . 1 1 65 65 MET C C 13 177.428 0.000 . 1 . . . . 65 M C . 25422 1 279 . 1 1 65 65 MET CA C 13 57.941 0.035 . 1 . . . . 65 M CA . 25422 1 280 . 1 1 65 65 MET CB C 13 30.671 0.018 . 1 . . . . 65 M CB . 25422 1 281 . 1 1 65 65 MET N N 15 118.734 0.048 . 1 . . . . 65 M N . 25422 1 282 . 1 1 66 66 GLU H H 1 6.608 0.006 . 1 . . . . 66 E H . 25422 1 283 . 1 1 66 66 GLU C C 13 179.088 0.000 . 1 . . . . 66 E C . 25422 1 284 . 1 1 66 66 GLU CA C 13 58.211 0.072 . 1 . . . . 66 E CA . 25422 1 285 . 1 1 66 66 GLU CB C 13 29.685 0.012 . 1 . . . . 66 E CB . 25422 1 286 . 1 1 66 66 GLU N N 15 117.525 0.020 . 1 . . . . 66 E N . 25422 1 287 . 1 1 67 67 TYR H H 1 8.022 0.004 . 1 . . . . 67 Y H . 25422 1 288 . 1 1 67 67 TYR C C 13 177.083 0.000 . 1 . . . . 67 Y C . 25422 1 289 . 1 1 67 67 TYR CA C 13 60.334 0.018 . 1 . . . . 67 Y CA . 25422 1 290 . 1 1 67 67 TYR CB C 13 40.728 0.025 . 1 . . . . 67 Y CB . 25422 1 291 . 1 1 67 67 TYR N N 15 121.284 0.029 . 1 . . . . 67 Y N . 25422 1 292 . 1 1 68 68 LEU H H 1 7.907 0.005 . 1 . . . . 68 L H . 25422 1 293 . 1 1 68 68 LEU C C 13 176.479 0.000 . 1 . . . . 68 L C . 25422 1 294 . 1 1 68 68 LEU CA C 13 55.429 0.050 . 1 . . . . 68 L CA . 25422 1 295 . 1 1 68 68 LEU CB C 13 40.791 0.019 . 1 . . . . 68 L CB . 25422 1 296 . 1 1 68 68 LEU N N 15 110.355 0.028 . 1 . . . . 68 L N . 25422 1 297 . 1 1 69 69 GLU H H 1 6.647 0.007 . 1 . . . . 69 E H . 25422 1 298 . 1 1 69 69 GLU C C 13 176.347 0.000 . 1 . . . . 69 E C . 25422 1 299 . 1 1 69 69 GLU CA C 13 58.712 0.015 . 1 . . . . 69 E CA . 25422 1 300 . 1 1 69 69 GLU CB C 13 29.844 0.018 . 1 . . . . 69 E CB . 25422 1 301 . 1 1 69 69 GLU N N 15 119.003 0.029 . 1 . . . . 69 E N . 25422 1 302 . 1 1 70 70 ASN H H 1 6.561 0.006 . 1 . . . . 70 N H . 25422 1 303 . 1 1 70 70 ASN CA C 13 52.188 0.000 . 1 . . . . 70 N CA . 25422 1 304 . 1 1 70 70 ASN CB C 13 37.380 0.000 . 1 . . . . 70 N CB . 25422 1 305 . 1 1 70 70 ASN N N 15 105.024 0.012 . 1 . . . . 70 N N . 25422 1 306 . 1 1 71 71 PRO C C 13 178.480 0.000 . 1 . . . . 71 P C . 25422 1 307 . 1 1 71 71 PRO CA C 13 67.965 0.022 . 1 . . . . 71 P CA . 25422 1 308 . 1 1 71 71 PRO CB C 13 33.877 0.044 . 1 . . . . 71 P CB . 25422 1 309 . 1 1 72 72 LYS H H 1 9.399 0.003 . 1 . . . . 72 K H . 25422 1 310 . 1 1 72 72 LYS C C 13 178.405 0.000 . 1 . . . . 72 K C . 25422 1 311 . 1 1 72 72 LYS CA C 13 59.204 0.055 . 1 . . . . 72 K CA . 25422 1 312 . 1 1 72 72 LYS CB C 13 32.711 0.026 . 1 . . . . 72 K CB . 25422 1 313 . 1 1 72 72 LYS N N 15 115.705 0.025 . 1 . . . . 72 K N . 25422 1 314 . 1 1 73 73 LYS H H 1 7.686 0.005 . 1 . . . . 73 K H . 25422 1 315 . 1 1 73 73 LYS C C 13 177.719 0.000 . 1 . . . . 73 K C . 25422 1 316 . 1 1 73 73 LYS CA C 13 58.154 0.034 . 1 . . . . 73 K CA . 25422 1 317 . 1 1 73 73 LYS CB C 13 33.580 0.062 . 1 . . . . 73 K CB . 25422 1 318 . 1 1 73 73 LYS N N 15 119.648 0.023 . 1 . . . . 73 K N . 25422 1 319 . 1 1 74 74 TYR H H 1 8.031 0.004 . 1 . . . . 74 Y H . 25422 1 320 . 1 1 74 74 TYR C C 13 176.423 0.000 . 1 . . . . 74 Y C . 25422 1 321 . 1 1 74 74 TYR CA C 13 61.687 0.065 . 1 . . . . 74 Y CA . 25422 1 322 . 1 1 74 74 TYR CB C 13 40.489 0.018 . 1 . . . . 74 Y CB . 25422 1 323 . 1 1 74 74 TYR N N 15 120.389 0.019 . 1 . . . . 74 Y N . 25422 1 324 . 1 1 75 75 ILE H H 1 9.409 0.004 . 1 . . . . 75 I H . 25422 1 325 . 1 1 75 75 ILE CA C 13 59.533 0.000 . 1 . . . . 75 I CA . 25422 1 326 . 1 1 75 75 ILE CB C 13 38.293 0.000 . 1 . . . . 75 I CB . 25422 1 327 . 1 1 75 75 ILE N N 15 115.354 0.041 . 1 . . . . 75 I N . 25422 1 328 . 1 1 76 76 PRO C C 13 179.435 0.000 . 1 . . . . 76 P C . 25422 1 329 . 1 1 76 76 PRO CA C 13 64.509 0.067 . 1 . . . . 76 P CA . 25422 1 330 . 1 1 76 76 PRO CB C 13 31.531 0.000 . 1 . . . . 76 P CB . 25422 1 331 . 1 1 77 77 GLY H H 1 9.223 0.007 . 1 . . . . 77 G H . 25422 1 332 . 1 1 77 77 GLY C C 13 176.006 0.000 . 1 . . . . 77 G C . 25422 1 333 . 1 1 77 77 GLY CA C 13 44.881 0.015 . 1 . . . . 77 G CA . 25422 1 334 . 1 1 77 77 GLY N N 15 111.699 0.017 . 1 . . . . 77 G N . 25422 1 335 . 1 1 78 78 THR H H 1 8.910 0.004 . 1 . . . . 78 T H . 25422 1 336 . 1 1 78 78 THR C C 13 173.143 0.000 . 1 . . . . 78 T C . 25422 1 337 . 1 1 78 78 THR CA C 13 61.980 0.035 . 1 . . . . 78 T CA . 25422 1 338 . 1 1 78 78 THR CB C 13 70.534 0.023 . 1 . . . . 78 T CB . 25422 1 339 . 1 1 78 78 THR N N 15 115.572 0.009 . 1 . . . . 78 T N . 25422 1 340 . 1 1 79 79 LYS H H 1 7.860 0.005 . 1 . . . . 79 K H . 25422 1 341 . 1 1 79 79 LYS C C 13 174.772 0.000 . 1 . . . . 79 K C . 25422 1 342 . 1 1 79 79 LYS CA C 13 55.321 0.000 . 1 . . . . 79 K CA . 25422 1 343 . 1 1 79 79 LYS CB C 13 31.520 0.031 . 1 . . . . 79 K CB . 25422 1 344 . 1 1 79 79 LYS N N 15 122.507 0.037 . 1 . . . . 79 K N . 25422 1 345 . 1 1 80 80 MET H H 1 9.019 0.002 . 1 . . . . 80 M H . 25422 1 346 . 1 1 80 80 MET N N 15 122.911 0.029 . 1 . . . . 80 M N . 25422 1 347 . 1 1 81 81 ILE C C 13 175.520 0.000 . 1 . . . . 81 I C . 25422 1 348 . 1 1 81 81 ILE CA C 13 60.618 0.031 . 1 . . . . 81 I CA . 25422 1 349 . 1 1 81 81 ILE CB C 13 35.586 0.026 . 1 . . . . 81 I CB . 25422 1 350 . 1 1 82 82 PHE H H 1 9.061 0.003 . 1 . . . . 82 F H . 25422 1 351 . 1 1 82 82 PHE C C 13 175.137 0.000 . 1 . . . . 82 F C . 25422 1 352 . 1 1 82 82 PHE CA C 13 58.875 0.025 . 1 . . . . 82 F CA . 25422 1 353 . 1 1 82 82 PHE CB C 13 41.382 0.027 . 1 . . . . 82 F CB . 25422 1 354 . 1 1 82 82 PHE N N 15 126.308 0.023 . 1 . . . . 82 F N . 25422 1 355 . 1 1 83 83 VAL H H 1 8.072 0.005 . 1 . . . . 83 V H . 25422 1 356 . 1 1 83 83 VAL CA C 13 65.234 0.000 . 1 . . . . 83 V CA . 25422 1 357 . 1 1 83 83 VAL CB C 13 31.692 0.000 . 1 . . . . 83 V CB . 25422 1 358 . 1 1 83 83 VAL N N 15 126.936 0.016 . 1 . . . . 83 V N . 25422 1 359 . 1 1 84 84 GLY C C 13 171.694 0.000 . 1 . . . . 84 G C . 25422 1 360 . 1 1 84 84 GLY CA C 13 43.133 0.020 . 1 . . . . 84 G CA . 25422 1 361 . 1 1 85 85 ILE H H 1 7.800 0.006 . 1 . . . . 85 I H . 25422 1 362 . 1 1 85 85 ILE C C 13 174.693 0.000 . 1 . . . . 85 I C . 25422 1 363 . 1 1 85 85 ILE CA C 13 59.353 0.074 . 1 . . . . 85 I CA . 25422 1 364 . 1 1 85 85 ILE CB C 13 39.334 0.020 . 1 . . . . 85 I CB . 25422 1 365 . 1 1 85 85 ILE N N 15 120.392 0.032 . 1 . . . . 85 I N . 25422 1 366 . 1 1 86 86 LYS H H 1 8.257 0.005 . 1 . . . . 86 K H . 25422 1 367 . 1 1 86 86 LYS C C 13 178.568 0.000 . 1 . . . . 86 K C . 25422 1 368 . 1 1 86 86 LYS CA C 13 58.789 0.047 . 1 . . . . 86 K CA . 25422 1 369 . 1 1 86 86 LYS CB C 13 32.536 0.005 . 1 . . . . 86 K CB . 25422 1 370 . 1 1 86 86 LYS N N 15 127.549 0.013 . 1 . . . . 86 K N . 25422 1 371 . 1 1 87 87 LYS H H 1 8.178 0.006 . 1 . . . . 87 K H . 25422 1 372 . 1 1 87 87 LYS C C 13 177.586 0.000 . 1 . . . . 87 K C . 25422 1 373 . 1 1 87 87 LYS CA C 13 56.937 0.045 . 1 . . . . 87 K CA . 25422 1 374 . 1 1 87 87 LYS CB C 13 32.558 0.024 . 1 . . . . 87 K CB . 25422 1 375 . 1 1 87 87 LYS N N 15 120.211 0.025 . 1 . . . . 87 K N . 25422 1 376 . 1 1 88 88 LYS H H 1 8.955 0.006 . 1 . . . . 88 K H . 25422 1 377 . 1 1 88 88 LYS C C 13 177.678 0.000 . 1 . . . . 88 K C . 25422 1 378 . 1 1 88 88 LYS CA C 13 60.439 0.065 . 1 . . . . 88 K CA . 25422 1 379 . 1 1 88 88 LYS CB C 13 32.116 0.092 . 1 . . . . 88 K CB . 25422 1 380 . 1 1 88 88 LYS N N 15 129.627 0.026 . 1 . . . . 88 K N . 25422 1 381 . 1 1 89 89 GLU H H 1 9.166 0.001 . 1 . . . . 89 E H . 25422 1 382 . 1 1 89 89 GLU C C 13 177.684 0.000 . 1 . . . . 89 E C . 25422 1 383 . 1 1 89 89 GLU CA C 13 59.784 0.038 . 1 . . . . 89 E CA . 25422 1 384 . 1 1 89 89 GLU CB C 13 28.806 0.060 . 1 . . . . 89 E CB . 25422 1 385 . 1 1 89 89 GLU N N 15 117.854 0.009 . 1 . . . . 89 E N . 25422 1 386 . 1 1 90 90 GLU H H 1 5.960 0.007 . 1 . . . . 90 E H . 25422 1 387 . 1 1 90 90 GLU C C 13 178.521 0.000 . 1 . . . . 90 E C . 25422 1 388 . 1 1 90 90 GLU CA C 13 58.062 0.035 . 1 . . . . 90 E CA . 25422 1 389 . 1 1 90 90 GLU CB C 13 29.699 0.018 . 1 . . . . 90 E CB . 25422 1 390 . 1 1 90 90 GLU N N 15 116.084 0.021 . 1 . . . . 90 E N . 25422 1 391 . 1 1 91 91 ARG H H 1 6.965 0.006 . 1 . . . . 91 R H . 25422 1 392 . 1 1 91 91 ARG C C 13 177.033 0.000 . 1 . . . . 91 R C . 25422 1 393 . 1 1 91 91 ARG CA C 13 60.988 0.005 . 1 . . . . 91 R CA . 25422 1 394 . 1 1 91 91 ARG CB C 13 31.108 0.024 . 1 . . . . 91 R CB . 25422 1 395 . 1 1 91 91 ARG N N 15 116.886 0.054 . 1 . . . . 91 R N . 25422 1 396 . 1 1 92 92 ALA H H 1 8.269 0.003 . 1 . . . . 92 A H . 25422 1 397 . 1 1 92 92 ALA C C 13 180.860 0.000 . 1 . . . . 92 A C . 25422 1 398 . 1 1 92 92 ALA CA C 13 55.260 0.027 . 1 . . . . 92 A CA . 25422 1 399 . 1 1 92 92 ALA CB C 13 17.630 0.019 . 1 . . . . 92 A CB . 25422 1 400 . 1 1 92 92 ALA N N 15 119.780 0.009 . 1 . . . . 92 A N . 25422 1 401 . 1 1 93 93 ASP H H 1 7.839 0.003 . 1 . . . . 93 D H . 25422 1 402 . 1 1 93 93 ASP C C 13 177.370 0.000 . 1 . . . . 93 D C . 25422 1 403 . 1 1 93 93 ASP CA C 13 58.034 0.032 . 1 . . . . 93 D CA . 25422 1 404 . 1 1 93 93 ASP CB C 13 39.299 0.012 . 1 . . . . 93 D CB . 25422 1 405 . 1 1 93 93 ASP N N 15 121.982 0.021 . 1 . . . . 93 D N . 25422 1 406 . 1 1 94 94 LEU H H 1 7.614 0.004 . 1 . . . . 94 L H . 25422 1 407 . 1 1 94 94 LEU C C 13 177.881 0.000 . 1 . . . . 94 L C . 25422 1 408 . 1 1 94 94 LEU CA C 13 57.894 0.025 . 1 . . . . 94 L CA . 25422 1 409 . 1 1 94 94 LEU CB C 13 40.574 0.040 . 1 . . . . 94 L CB . 25422 1 410 . 1 1 94 94 LEU N N 15 120.629 0.015 . 1 . . . . 94 L N . 25422 1 411 . 1 1 95 95 ILE H H 1 8.304 0.004 . 1 . . . . 95 I H . 25422 1 412 . 1 1 95 95 ILE C C 13 175.863 0.000 . 1 . . . . 95 I C . 25422 1 413 . 1 1 95 95 ILE CA C 13 66.237 0.010 . 1 . . . . 95 I CA . 25422 1 414 . 1 1 95 95 ILE CB C 13 37.448 0.023 . 1 . . . . 95 I CB . 25422 1 415 . 1 1 95 95 ILE N N 15 119.448 0.017 . 1 . . . . 95 I N . 25422 1 416 . 1 1 96 96 ALA H H 1 7.547 0.004 . 1 . . . . 96 A H . 25422 1 417 . 1 1 96 96 ALA C C 13 180.649 0.000 . 1 . . . . 96 A C . 25422 1 418 . 1 1 96 96 ALA CA C 13 54.810 0.019 . 1 . . . . 96 A CA . 25422 1 419 . 1 1 96 96 ALA CB C 13 16.930 0.072 . 1 . . . . 96 A CB . 25422 1 420 . 1 1 96 96 ALA N N 15 122.410 0.006 . 1 . . . . 96 A N . 25422 1 421 . 1 1 97 97 TYR H H 1 7.714 0.004 . 1 . . . . 97 Y H . 25422 1 422 . 1 1 97 97 TYR C C 13 176.004 0.000 . 1 . . . . 97 Y C . 25422 1 423 . 1 1 97 97 TYR CA C 13 61.600 0.027 . 1 . . . . 97 Y CA . 25422 1 424 . 1 1 97 97 TYR CB C 13 36.937 0.025 . 1 . . . . 97 Y CB . 25422 1 425 . 1 1 97 97 TYR N N 15 117.974 0.019 . 1 . . . . 97 Y N . 25422 1 426 . 1 1 98 98 LEU H H 1 8.523 0.004 . 1 . . . . 98 L H . 25422 1 427 . 1 1 98 98 LEU C C 13 178.785 0.000 . 1 . . . . 98 L C . 25422 1 428 . 1 1 98 98 LEU CA C 13 57.496 0.015 . 1 . . . . 98 L CA . 25422 1 429 . 1 1 98 98 LEU CB C 13 41.500 0.015 . 1 . . . . 98 L CB . 25422 1 430 . 1 1 98 98 LEU N N 15 118.681 0.009 . 1 . . . . 98 L N . 25422 1 431 . 1 1 99 99 LYS H H 1 8.627 0.003 . 1 . . . . 99 K H . 25422 1 432 . 1 1 99 99 LYS C C 13 176.646 0.000 . 1 . . . . 99 K C . 25422 1 433 . 1 1 99 99 LYS CA C 13 59.133 0.052 . 1 . . . . 99 K CA . 25422 1 434 . 1 1 99 99 LYS CB C 13 31.925 0.037 . 1 . . . . 99 K CB . 25422 1 435 . 1 1 99 99 LYS N N 15 123.741 0.048 . 1 . . . . 99 K N . 25422 1 436 . 1 1 100 100 LYS H H 1 6.508 0.007 . 1 . . . . 100 K H . 25422 1 437 . 1 1 100 100 LYS C C 13 178.602 0.000 . 1 . . . . 100 K C . 25422 1 438 . 1 1 100 100 LYS CA C 13 57.977 0.056 . 1 . . . . 100 K CA . 25422 1 439 . 1 1 100 100 LYS CB C 13 33.317 0.022 . 1 . . . . 100 K CB . 25422 1 440 . 1 1 100 100 LYS N N 15 116.744 0.019 . 1 . . . . 100 K N . 25422 1 441 . 1 1 101 101 ALA H H 1 8.477 0.003 . 1 . . . . 101 A H . 25422 1 442 . 1 1 101 101 ALA C C 13 179.943 0.000 . 1 . . . . 101 A C . 25422 1 443 . 1 1 101 101 ALA CA C 13 54.744 0.012 . 1 . . . . 101 A CA . 25422 1 444 . 1 1 101 101 ALA CB C 13 18.590 0.067 . 1 . . . . 101 A CB . 25422 1 445 . 1 1 101 101 ALA N N 15 119.588 0.023 . 1 . . . . 101 A N . 25422 1 446 . 1 1 102 102 THR H H 1 7.755 0.007 . 1 . . . . 102 T H . 25422 1 447 . 1 1 102 102 THR C C 13 173.062 0.000 . 1 . . . . 102 T C . 25422 1 448 . 1 1 102 102 THR CA C 13 62.346 0.001 . 1 . . . . 102 T CA . 25422 1 449 . 1 1 102 102 THR CB C 13 69.680 0.009 . 1 . . . . 102 T CB . 25422 1 450 . 1 1 102 102 THR N N 15 101.944 0.041 . 1 . . . . 102 T N . 25422 1 451 . 1 1 103 103 ASN H H 1 6.943 0.008 . 1 . . . . 103 N H . 25422 1 452 . 1 1 103 103 ASN C C 13 173.903 0.000 . 1 . . . . 103 N C . 25422 1 453 . 1 1 103 103 ASN CA C 13 52.650 0.033 . 1 . . . . 103 N CA . 25422 1 454 . 1 1 103 103 ASN CB C 13 41.529 0.018 . 1 . . . . 103 N CB . 25422 1 455 . 1 1 103 103 ASN N N 15 118.287 0.033 . 1 . . . . 103 N N . 25422 1 456 . 1 1 104 104 GLU H H 1 7.180 0.012 . 1 . . . . 104 E H . 25422 1 457 . 1 1 104 104 GLU CA C 13 57.865 0.000 . 1 . . . . 104 E CA . 25422 1 458 . 1 1 104 104 GLU CB C 13 31.015 0.000 . 1 . . . . 104 E CB . 25422 1 459 . 1 1 104 104 GLU N N 15 124.714 0.030 . 1 . . . . 104 E N . 25422 1 stop_ save_