################################### # 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 26855 _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' . . . 26855 1 2 '3D HNCACB' . . . 26855 1 3 '3D CBCA(CO)NH' . . . 26855 1 4 '3D HNCO' . . . 26855 1 5 '3D HNCA' . . . 26855 1 6 '3D HN(CO)CA' . . . 26855 1 7 '5D HN(CA)CONH' . . . 26855 1 8 '5D HabCabCONH' . . . 26855 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 20 20 MET H H 1 8.324 0.004 . 1 . . . . 1 M H . 26855 1 2 . 1 1 20 20 MET C C 13 176.225 0.020 . 1 . . . . 1 M C . 26855 1 3 . 1 1 20 20 MET CA C 13 56.690 0.020 . 1 . . . . 1 M CA . 26855 1 4 . 1 1 20 20 MET CB C 13 30.486 0.020 . 1 . . . . 1 M CB . 26855 1 5 . 1 1 20 20 MET N N 15 121.362 0.014 . 1 . . . . 1 M N . 26855 1 6 . 1 1 21 21 GLU H H 1 8.536 0.004 . 1 . . . . 2 E H . 26855 1 7 . 1 1 21 21 GLU C C 13 176.647 0.020 . 1 . . . . 2 E C . 26855 1 8 . 1 1 21 21 GLU CA C 13 56.928 0.020 . 1 . . . . 2 E CA . 26855 1 9 . 1 1 21 21 GLU CB C 13 30.029 0.020 . 1 . . . . 2 E CB . 26855 1 10 . 1 1 21 21 GLU N N 15 121.917 0.015 . 1 . . . . 2 E N . 26855 1 11 . 1 1 22 22 GLU H H 1 8.431 0.001 . 1 . . . . 3 E H . 26855 1 12 . 1 1 22 22 GLU C C 13 176.492 0.020 . 1 . . . . 3 E C . 26855 1 13 . 1 1 22 22 GLU CA C 13 56.851 0.020 . 1 . . . . 3 E CA . 26855 1 14 . 1 1 22 22 GLU CB C 13 29.975 0.020 . 1 . . . . 3 E CB . 26855 1 15 . 1 1 22 22 GLU N N 15 121.991 0.040 . 1 . . . . 3 E N . 26855 1 16 . 1 1 23 23 ALA H H 1 8.336 0.001 . 1 . . . . 4 A H . 26855 1 17 . 1 1 23 23 ALA C C 13 177.772 0.020 . 1 . . . . 4 A C . 26855 1 18 . 1 1 23 23 ALA CA C 13 52.781 0.020 . 1 . . . . 4 A CA . 26855 1 19 . 1 1 23 23 ALA CB C 13 19.099 0.020 . 1 . . . . 4 A CB . 26855 1 20 . 1 1 23 23 ALA N N 15 124.909 0.009 . 1 . . . . 4 A N . 26855 1 21 . 1 1 24 24 ALA H H 1 8.267 0.001 . 1 . . . . 5 A H . 26855 1 22 . 1 1 24 24 ALA C C 13 178.086 0.020 . 1 . . . . 5 A C . 26855 1 23 . 1 1 24 24 ALA CA C 13 52.782 0.020 . 1 . . . . 5 A CA . 26855 1 24 . 1 1 24 24 ALA CB C 13 19.095 0.020 . 1 . . . . 5 A CB . 26855 1 25 . 1 1 24 24 ALA N N 15 123.029 0.009 . 1 . . . . 5 A N . 26855 1 26 . 1 1 25 25 SER H H 1 8.233 0.001 . 1 . . . . 6 S H . 26855 1 27 . 1 1 25 25 SER C C 13 174.744 0.020 . 1 . . . . 6 S C . 26855 1 28 . 1 1 25 25 SER CA C 13 58.685 0.020 . 1 . . . . 6 S CA . 26855 1 29 . 1 1 25 25 SER CB C 13 63.795 0.020 . 1 . . . . 6 S CB . 26855 1 30 . 1 1 25 25 SER N N 15 114.788 0.009 . 1 . . . . 6 S N . 26855 1 31 . 1 1 26 26 GLN H H 1 8.355 0.003 . 1 . . . . 7 Q H . 26855 1 32 . 1 1 26 26 GLN C C 13 175.961 0.020 . 1 . . . . 7 Q C . 26855 1 33 . 1 1 26 26 GLN CA C 13 55.981 0.020 . 1 . . . . 7 Q CA . 26855 1 34 . 1 1 26 26 GLN CB C 13 29.492 0.020 . 1 . . . . 7 Q CB . 26855 1 35 . 1 1 26 26 GLN N N 15 122.015 0.006 . 1 . . . . 7 Q N . 26855 1 36 . 1 1 27 27 SER H H 1 8.346 0.001 . 1 . . . . 8 S H . 26855 1 37 . 1 1 27 27 SER C C 13 174.513 0.020 . 1 . . . . 8 S C . 26855 1 38 . 1 1 27 27 SER CA C 13 58.458 0.020 . 1 . . . . 8 S CA . 26855 1 39 . 1 1 27 27 SER CB C 13 63.752 0.020 . 1 . . . . 8 S CB . 26855 1 40 . 1 1 27 27 SER N N 15 116.977 0.016 . 1 . . . . 8 S N . 26855 1 41 . 1 1 28 28 LEU H H 1 8.347 0.001 . 1 . . . . 9 L H . 26855 1 42 . 1 1 28 28 LEU C C 13 177.466 0.020 . 1 . . . . 9 L C . 26855 1 43 . 1 1 28 28 LEU CA C 13 55.330 0.020 . 1 . . . . 9 L CA . 26855 1 44 . 1 1 28 28 LEU CB C 13 42.330 0.020 . 1 . . . . 9 L CB . 26855 1 45 . 1 1 28 28 LEU N N 15 124.283 0.017 . 1 . . . . 9 L N . 26855 1 46 . 1 1 29 29 GLU H H 1 8.358 0.001 . 1 . . . . 10 E H . 26855 1 47 . 1 1 29 29 GLU C C 13 176.549 0.020 . 1 . . . . 10 E C . 26855 1 48 . 1 1 29 29 GLU CA C 13 56.824 0.020 . 1 . . . . 10 E CA . 26855 1 49 . 1 1 29 29 GLU CB C 13 30.163 0.020 . 1 . . . . 10 E CB . 26855 1 50 . 1 1 29 29 GLU N N 15 121.177 0.003 . 1 . . . . 10 E N . 26855 1 51 . 1 1 30 30 GLU H H 1 8.330 0.002 . 1 . . . . 11 E H . 26855 1 52 . 1 1 30 30 GLU CA C 13 56.717 0.020 . 1 . . . . 11 E CA . 26855 1 53 . 1 1 30 30 GLU CB C 13 30.378 0.020 . 1 . . . . 11 E CB . 26855 1 54 . 1 1 30 30 GLU N N 15 121.372 0.039 . 1 . . . . 11 E N . 26855 1 55 . 1 1 31 31 ASP C C 13 176.167 0.020 . 1 . . . . 12 D C . 26855 1 56 . 1 1 32 32 PHE H H 1 8.168 0.001 . 1 . . . . 13 F H . 26855 1 57 . 1 1 32 32 PHE C C 13 176.258 0.020 . 1 . . . . 13 F C . 26855 1 58 . 1 1 32 32 PHE CA C 13 58.274 0.020 . 1 . . . . 13 F CA . 26855 1 59 . 1 1 32 32 PHE CB C 13 39.399 0.020 . 1 . . . . 13 F CB . 26855 1 60 . 1 1 32 32 PHE N N 15 120.910 0.002 . 1 . . . . 13 F N . 26855 1 61 . 1 1 33 33 GLU H H 1 8.434 0.001 . 1 . . . . 14 E H . 26855 1 62 . 1 1 33 33 GLU C C 13 177.169 0.020 . 1 . . . . 14 E C . 26855 1 63 . 1 1 33 33 GLU CA C 13 56.958 0.020 . 1 . . . . 14 E CA . 26855 1 64 . 1 1 33 33 GLU CB C 13 29.975 0.020 . 1 . . . . 14 E CB . 26855 1 65 . 1 1 33 33 GLU N N 15 121.883 0.006 . 1 . . . . 14 E N . 26855 1 66 . 1 1 34 34 GLY H H 1 8.158 0.001 . 1 . . . . 15 G H . 26855 1 67 . 1 1 34 34 GLY C C 13 174.472 0.020 . 1 . . . . 15 G C . 26855 1 68 . 1 1 34 34 GLY CA C 13 45.673 0.020 . 1 . . . . 15 G CA . 26855 1 69 . 1 1 34 34 GLY N N 15 109.484 0.011 . 1 . . . . 15 G N . 26855 1 70 . 1 1 35 35 GLN H H 1 8.132 0.001 . 1 . . . . 16 Q H . 26855 1 71 . 1 1 35 35 GLN C C 13 176.098 0.020 . 1 . . . . 16 Q C . 26855 1 72 . 1 1 35 35 GLN CA C 13 56.040 0.020 . 1 . . . . 16 Q CA . 26855 1 73 . 1 1 35 35 GLN CB C 13 29.392 0.020 . 1 . . . . 16 Q CB . 26855 1 74 . 1 1 35 35 GLN N N 15 119.679 0.005 . 1 . . . . 16 Q N . 26855 1 75 . 1 1 36 36 ALA H H 1 8.396 0.001 . 1 . . . . 17 A H . 26855 1 76 . 1 1 36 36 ALA C C 13 177.974 0.020 . 1 . . . . 17 A C . 26855 1 77 . 1 1 36 36 ALA CA C 13 52.915 0.020 . 1 . . . . 17 A CA . 26855 1 78 . 1 1 36 36 ALA CB C 13 19.117 0.020 . 1 . . . . 17 A CB . 26855 1 79 . 1 1 36 36 ALA N N 15 124.559 0.015 . 1 . . . . 17 A N . 26855 1 80 . 1 1 37 37 THR H H 1 8.035 0.002 . 1 . . . . 18 T H . 26855 1 81 . 1 1 37 37 THR C C 13 174.445 0.020 . 1 . . . . 18 T C . 26855 1 82 . 1 1 37 37 THR CA C 13 62.006 0.020 . 1 . . . . 18 T CA . 26855 1 83 . 1 1 37 37 THR CB C 13 69.827 0.020 . 1 . . . . 18 T CB . 26855 1 84 . 1 1 37 37 THR N N 15 112.319 0.023 . 1 . . . . 18 T N . 26855 1 85 . 1 1 38 38 HIS H H 1 8.395 0.004 . 1 . . . . 19 H H . 26855 1 86 . 1 1 38 38 HIS C C 13 174.959 0.020 . 1 . . . . 19 H C . 26855 1 87 . 1 1 38 38 HIS CA C 13 55.804 0.020 . 1 . . . . 19 H CA . 26855 1 88 . 1 1 38 38 HIS CB C 13 29.922 0.020 . 1 . . . . 19 H CB . 26855 1 89 . 1 1 38 38 HIS N N 15 121.150 0.022 . 1 . . . . 19 H N . 26855 1 90 . 1 1 39 39 THR H H 1 8.169 0.002 . 1 . . . . 20 T H . 26855 1 91 . 1 1 39 39 THR C C 13 174.622 0.020 . 1 . . . . 20 T C . 26855 1 92 . 1 1 39 39 THR CA C 13 61.703 0.020 . 1 . . . . 20 T CA . 26855 1 93 . 1 1 39 39 THR CB C 13 69.964 0.020 . 1 . . . . 20 T CB . 26855 1 94 . 1 1 39 39 THR N N 15 115.012 0.010 . 1 . . . . 20 T N . 26855 1 95 . 1 1 40 40 GLY H H 1 8.274 0.002 . 1 . . . . 21 G H . 26855 1 96 . 1 1 40 40 GLY CA C 13 44.630 0.020 . 1 . . . . 21 G CA . 26855 1 97 . 1 1 40 40 GLY N N 15 111.323 0.021 . 1 . . . . 21 G N . 26855 1 98 . 1 1 41 41 PRO C C 13 177.348 0.020 . 1 . . . . 22 P C . 26855 1 99 . 1 1 41 41 PRO CA C 13 63.348 0.020 . 1 . . . . 22 P CA . 26855 1 100 . 1 1 41 41 PRO CB C 13 32.150 0.020 . 1 . . . . 22 P CB . 26855 1 101 . 1 1 42 42 LYS H H 1 8.529 0.001 . 1 . . . . 23 K H . 26855 1 102 . 1 1 42 42 LYS C C 13 177.172 0.020 . 1 . . . . 23 K C . 26855 1 103 . 1 1 42 42 LYS CA C 13 56.502 0.020 . 1 . . . . 23 K CA . 26855 1 104 . 1 1 42 42 LYS CB C 13 32.956 0.020 . 1 . . . . 23 K CB . 26855 1 105 . 1 1 42 42 LYS N N 15 121.134 0.013 . 1 . . . . 23 K N . 26855 1 106 . 1 1 43 43 GLY H H 1 8.345 0.002 . 1 . . . . 24 G H . 26855 1 107 . 1 1 43 43 GLY C C 13 173.881 0.020 . 1 . . . . 24 G C . 26855 1 108 . 1 1 43 43 GLY CA C 13 45.279 0.020 . 1 . . . . 24 G CA . 26855 1 109 . 1 1 43 43 GLY N N 15 109.615 0.003 . 1 . . . . 24 G N . 26855 1 110 . 1 1 44 44 VAL H H 1 7.950 0.001 . 1 . . . . 25 V H . 26855 1 111 . 1 1 44 44 VAL C C 13 176.199 0.020 . 1 . . . . 25 V C . 26855 1 112 . 1 1 44 44 VAL CA C 13 62.435 0.020 . 1 . . . . 25 V CA . 26855 1 113 . 1 1 44 44 VAL CB C 13 32.821 0.020 . 1 . . . . 25 V CB . 26855 1 114 . 1 1 44 44 VAL N N 15 119.440 0.007 . 1 . . . . 25 V N . 26855 1 115 . 1 1 45 45 ILE H H 1 8.249 0.002 . 1 . . . . 26 I H . 26855 1 116 . 1 1 45 45 ILE C C 13 175.866 0.020 . 1 . . . . 26 I C . 26855 1 117 . 1 1 45 45 ILE CA C 13 61.061 0.020 . 1 . . . . 26 I CA . 26855 1 118 . 1 1 45 45 ILE CB C 13 38.542 0.020 . 1 . . . . 26 I CB . 26855 1 119 . 1 1 45 45 ILE N N 15 124.618 0.017 . 1 . . . . 26 I N . 26855 1 120 . 1 1 46 46 ASN H H 1 8.455 0.003 . 1 . . . . 27 N H . 26855 1 121 . 1 1 46 46 ASN C C 13 174.741 0.020 . 1 . . . . 27 N C . 26855 1 122 . 1 1 46 46 ASN CA C 13 56.475 0.020 . 1 . . . . 27 N CA . 26855 1 123 . 1 1 46 46 ASN CB C 13 38.970 0.020 . 1 . . . . 27 N CB . 26855 1 124 . 1 1 46 46 ASN N N 15 122.867 0.003 . 1 . . . . 27 N N . 26855 1 125 . 1 1 47 47 ASP H H 1 8.171 0.012 . 1 . . . . 28 D H . 26855 1 126 . 1 1 47 47 ASP CA C 13 54.193 0.020 . 1 . . . . 28 D CA . 26855 1 127 . 1 1 47 47 ASP CB C 13 41.010 0.020 . 1 . . . . 28 D CB . 26855 1 128 . 1 1 47 47 ASP N N 15 121.135 0.003 . 1 . . . . 28 D N . 26855 1 129 . 1 1 53 53 LEU C C 13 177.557 0.020 . 1 . . . . 34 L C . 26855 1 130 . 1 1 53 53 LEU CA C 13 55.455 0.020 . 1 . . . . 34 L CA . 26855 1 131 . 1 1 53 53 LEU CB C 13 42.406 0.020 . 1 . . . . 34 L CB . 26855 1 132 . 1 1 54 54 GLU H H 1 8.442 0.002 . 1 . . . . 35 E H . 26855 1 133 . 1 1 54 54 GLU C C 13 176.487 0.020 . 1 . . . . 35 E C . 26855 1 134 . 1 1 54 54 GLU CA C 13 56.824 0.020 . 1 . . . . 35 E CA . 26855 1 135 . 1 1 54 54 GLU CB C 13 30.325 0.020 . 1 . . . . 35 E CB . 26855 1 136 . 1 1 54 54 GLU N N 15 121.258 0.011 . 1 . . . . 35 E N . 26855 1 137 . 1 1 55 55 SER H H 1 8.234 0.001 . 1 . . . . 36 S H . 26855 1 138 . 1 1 55 55 SER C C 13 174.715 0.020 . 1 . . . . 36 S C . 26855 1 139 . 1 1 55 55 SER CA C 13 58.489 0.020 . 1 . . . . 36 S CA . 26855 1 140 . 1 1 55 55 SER CB C 13 63.939 0.020 . 1 . . . . 36 S CB . 26855 1 141 . 1 1 55 55 SER N N 15 115.830 0.005 . 1 . . . . 36 S N . 26855 1 142 . 1 1 56 56 GLU H H 1 8.484 0.002 . 1 . . . . 37 E H . 26855 1 143 . 1 1 56 56 GLU C C 13 176.292 0.020 . 1 . . . . 37 E C . 26855 1 144 . 1 1 56 56 GLU CA C 13 56.743 0.020 . 1 . . . . 37 E CA . 26855 1 145 . 1 1 56 56 GLU CB C 13 30.137 0.020 . 1 . . . . 37 E CB . 26855 1 146 . 1 1 56 56 GLU N N 15 122.817 0.016 . 1 . . . . 37 E N . 26855 1 147 . 1 1 57 57 ASP H H 1 8.321 0.002 . 1 . . . . 38 D H . 26855 1 148 . 1 1 57 57 ASP C C 13 176.868 0.020 . 1 . . . . 38 D C . 26855 1 149 . 1 1 57 57 ASP CA C 13 54.569 0.020 . 1 . . . . 38 D CA . 26855 1 150 . 1 1 57 57 ASP CB C 13 41.252 0.020 . 1 . . . . 38 D CB . 26855 1 151 . 1 1 57 57 ASP N N 15 120.703 0.013 . 1 . . . . 38 D N . 26855 1 152 . 1 1 58 58 GLY H H 1 8.305 0.004 . 1 . . . . 39 G H . 26855 1 153 . 1 1 58 58 GLY C C 13 174.172 0.020 . 1 . . . . 39 G C . 26855 1 154 . 1 1 58 58 GLY CA C 13 45.655 0.020 . 1 . . . . 39 G CA . 26855 1 155 . 1 1 58 58 GLY N N 15 109.400 0.009 . 1 . . . . 39 G N . 26855 1 156 . 1 1 59 59 ASP H H 1 8.279 0.004 . 1 . . . . 40 D H . 26855 1 157 . 1 1 59 59 ASP C C 13 176.433 0.020 . 1 . . . . 40 D C . 26855 1 158 . 1 1 59 59 ASP CA C 13 54.408 0.020 . 1 . . . . 40 D CA . 26855 1 159 . 1 1 59 59 ASP CB C 13 41.198 0.020 . 1 . . . . 40 D CB . 26855 1 160 . 1 1 59 59 ASP N N 15 120.309 0.001 . 1 . . . . 40 D N . 26855 1 161 . 1 1 60 60 SER H H 1 8.227 0.002 . 1 . . . . 41 S H . 26855 1 162 . 1 1 60 60 SER C C 13 174.119 0.020 . 1 . . . . 41 S C . 26855 1 163 . 1 1 60 60 SER CA C 13 58.489 0.020 . 1 . . . . 41 S CA . 26855 1 164 . 1 1 60 60 SER CB C 13 63.939 0.020 . 1 . . . . 41 S CB . 26855 1 165 . 1 1 60 60 SER N N 15 115.737 0.001 . 1 . . . . 41 S N . 26855 1 166 . 1 1 61 61 ILE H H 1 8.109 0.002 . 1 . . . . 42 I H . 26855 1 167 . 1 1 61 61 ILE CA C 13 58.679 0.020 . 1 . . . . 42 I CA . 26855 1 168 . 1 1 61 61 ILE CB C 13 38.629 0.020 . 1 . . . . 42 I CB . 26855 1 169 . 1 1 61 61 ILE N N 15 124.165 0.010 . 1 . . . . 42 I N . 26855 1 170 . 1 1 63 63 PRO C C 13 177.378 0.020 . 1 . . . . 44 P C . 26855 1 171 . 1 1 63 63 PRO CA C 13 63.610 0.020 . 1 . . . . 44 P CA . 26855 1 172 . 1 1 63 63 PRO CB C 13 31.892 0.020 . 1 . . . . 44 P CB . 26855 1 173 . 1 1 64 64 SER H H 1 8.385 0.004 . 1 . . . . 45 S H . 26855 1 174 . 1 1 64 64 SER CA C 13 58.792 0.020 . 1 . . . . 45 S CA . 26855 1 175 . 1 1 64 64 SER CB C 13 63.643 0.020 . 1 . . . . 45 S CB . 26855 1 176 . 1 1 64 64 SER N N 15 114.909 0.030 . 1 . . . . 45 S N . 26855 1 177 . 1 1 75 75 PRO C C 13 177.101 0.020 . 1 . . . . 56 P C . 26855 1 178 . 1 1 75 75 PRO CA C 13 63.666 0.020 . 1 . . . . 56 P CA . 26855 1 179 . 1 1 75 75 PRO CB C 13 32.016 0.020 . 1 . . . . 56 P CB . 26855 1 180 . 1 1 76 76 GLN H H 1 8.495 0.001 . 1 . . . . 57 Q H . 26855 1 181 . 1 1 76 76 GLN C C 13 176.186 0.020 . 1 . . . . 57 Q C . 26855 1 182 . 1 1 76 76 GLN CA C 13 56.072 0.020 . 1 . . . . 57 Q CA . 26855 1 183 . 1 1 76 76 GLN CB C 13 29.412 0.020 . 1 . . . . 57 Q CB . 26855 1 184 . 1 1 76 76 GLN N N 15 120.052 0.013 . 1 . . . . 57 Q N . 26855 1 185 . 1 1 77 77 SER H H 1 8.368 0.002 . 1 . . . . 58 S H . 26855 1 186 . 1 1 77 77 SER HA H 1 4.401 0.002 . 1 . . . . 58 S HA . 26855 1 187 . 1 1 77 77 SER HB2 H 1 3.862 0.002 . 2 . . . . 58 S QB . 26855 1 188 . 1 1 77 77 SER HB3 H 1 3.862 0.002 . 2 . . . . 58 S QB . 26855 1 189 . 1 1 77 77 SER C C 13 174.674 0.020 . 1 . . . . 58 S C . 26855 1 190 . 1 1 77 77 SER CA C 13 58.596 0.020 . 1 . . . . 58 S CA . 26855 1 191 . 1 1 77 77 SER CB C 13 63.885 0.020 . 1 . . . . 58 S CB . 26855 1 192 . 1 1 77 77 SER N N 15 117.299 0.016 . 1 . . . . 58 S N . 26855 1 193 . 1 1 78 78 ARG H H 1 8.436 0.001 . 1 . . . . 59 R H . 26855 1 194 . 1 1 78 78 ARG HA H 1 4.325 0.002 . 1 . . . . 59 R HA . 26855 1 195 . 1 1 78 78 ARG HB2 H 1 1.813 0.002 . 2 . . . . 59 R QB . 26855 1 196 . 1 1 78 78 ARG HB3 H 1 1.813 0.002 . 2 . . . . 59 R QB . 26855 1 197 . 1 1 78 78 ARG C C 13 176.083 0.020 . 1 . . . . 59 R C . 26855 1 198 . 1 1 78 78 ARG CA C 13 56.529 0.020 . 1 . . . . 59 R CA . 26855 1 199 . 1 1 78 78 ARG CB C 13 30.835 0.020 . 1 . . . . 59 R CB . 26855 1 200 . 1 1 78 78 ARG N N 15 123.050 0.012 . 1 . . . . 59 R N . 26855 1 201 . 1 1 79 79 ASP H H 1 8.360 0.001 . 1 . . . . 60 D H . 26855 1 202 . 1 1 79 79 ASP C C 13 176.123 0.020 . 1 . . . . 60 D C . 26855 1 203 . 1 1 79 79 ASP CA C 13 54.542 0.020 . 1 . . . . 60 D CA . 26855 1 204 . 1 1 79 79 ASP CB C 13 41.279 0.020 . 1 . . . . 60 D CB . 26855 1 205 . 1 1 79 79 ASP N N 15 121.168 0.003 . 1 . . . . 60 D N . 26855 1 206 . 1 1 80 80 ASP H H 1 8.285 0.011 . 1 . . . . 61 D H . 26855 1 207 . 1 1 80 80 ASP C C 13 176.856 0.020 . 1 . . . . 61 D C . 26855 1 208 . 1 1 80 80 ASP CA C 13 54.596 0.020 . 1 . . . . 61 D CA . 26855 1 209 . 1 1 80 80 ASP CB C 13 41.118 0.020 . 1 . . . . 61 D CB . 26855 1 210 . 1 1 80 80 ASP N N 15 121.212 0.001 . 1 . . . . 61 D N . 26855 1 211 . 1 1 81 81 LYS H H 1 8.299 0.002 . 1 . . . . 62 K H . 26855 1 212 . 1 1 81 81 LYS C C 13 177.136 0.020 . 1 . . . . 62 K C . 26855 1 213 . 1 1 81 81 LYS CA C 13 57.442 0.020 . 1 . . . . 62 K CA . 26855 1 214 . 1 1 81 81 LYS CB C 13 32.633 0.020 . 1 . . . . 62 K CB . 26855 1 215 . 1 1 81 81 LYS N N 15 121.229 0.017 . 1 . . . . 62 K N . 26855 1 216 . 1 1 82 82 ASP H H 1 8.324 0.001 . 1 . . . . 63 D H . 26855 1 217 . 1 1 82 82 ASP C C 13 176.934 0.020 . 1 . . . . 63 D C . 26855 1 218 . 1 1 82 82 ASP CA C 13 55.106 0.020 . 1 . . . . 63 D CA . 26855 1 219 . 1 1 82 82 ASP CB C 13 41.118 0.020 . 1 . . . . 63 D CB . 26855 1 220 . 1 1 82 82 ASP N N 15 120.007 0.009 . 1 . . . . 63 D N . 26855 1 221 . 1 1 83 83 SER H H 1 8.141 0.002 . 1 . . . . 64 S H . 26855 1 222 . 1 1 83 83 SER C C 13 175.614 0.020 . 1 . . . . 64 S C . 26855 1 223 . 1 1 83 83 SER CA C 13 59.497 0.020 . 1 . . . . 64 S CA . 26855 1 224 . 1 1 83 83 SER CB C 13 63.509 0.020 . 1 . . . . 64 S CB . 26855 1 225 . 1 1 83 83 SER N N 15 116.165 0.019 . 1 . . . . 64 S N . 26855 1 226 . 1 1 84 84 LYS H H 1 8.343 0.002 . 1 . . . . 65 K H . 26855 1 227 . 1 1 84 84 LYS C C 13 177.831 0.020 . 1 . . . . 65 K C . 26855 1 228 . 1 1 84 84 LYS CA C 13 57.788 0.020 . 1 . . . . 65 K CA . 26855 1 229 . 1 1 84 84 LYS CB C 13 32.446 0.020 . 1 . . . . 65 K CB . 26855 1 230 . 1 1 84 84 LYS N N 15 122.797 0.013 . 1 . . . . 65 K N . 26855 1 231 . 1 1 85 85 GLU H H 1 8.296 0.003 . 1 . . . . 66 E H . 26855 1 232 . 1 1 85 85 GLU C C 13 177.456 0.020 . 1 . . . . 66 E C . 26855 1 233 . 1 1 85 85 GLU CA C 13 57.522 0.020 . 1 . . . . 66 E CA . 26855 1 234 . 1 1 85 85 GLU CB C 13 29.600 0.020 . 1 . . . . 66 E CB . 26855 1 235 . 1 1 85 85 GLU N N 15 120.502 0.005 . 1 . . . . 66 E N . 26855 1 236 . 1 1 86 86 ARG H H 1 8.169 0.003 . 1 . . . . 67 R H . 26855 1 237 . 1 1 86 86 ARG C C 13 177.286 0.020 . 1 . . . . 67 R C . 26855 1 238 . 1 1 86 86 ARG CA C 13 57.442 0.020 . 1 . . . . 67 R CA . 26855 1 239 . 1 1 86 86 ARG CB C 13 30.351 0.020 . 1 . . . . 67 R CB . 26855 1 240 . 1 1 86 86 ARG N N 15 120.740 0.018 . 1 . . . . 67 R N . 26855 1 241 . 1 1 87 87 MET H H 1 8.250 0.001 . 1 . . . . 68 M H . 26855 1 242 . 1 1 87 87 MET C C 13 176.827 0.020 . 1 . . . . 68 M C . 26855 1 243 . 1 1 87 87 MET CA C 13 56.180 0.020 . 1 . . . . 68 M CA . 26855 1 244 . 1 1 87 87 MET CB C 13 32.633 0.020 . 1 . . . . 68 M CB . 26855 1 245 . 1 1 87 87 MET N N 15 119.776 0.017 . 1 . . . . 68 M N . 26855 1 246 . 1 1 88 88 SER H H 1 8.208 0.003 . 1 . . . . 69 S H . 26855 1 247 . 1 1 88 88 SER C C 13 174.892 0.020 . 1 . . . . 69 S C . 26855 1 248 . 1 1 88 88 SER CA C 13 59.059 0.020 . 1 . . . . 69 S CA . 26855 1 249 . 1 1 88 88 SER CB C 13 63.697 0.020 . 1 . . . . 69 S CB . 26855 1 250 . 1 1 88 88 SER N N 15 116.330 0.027 . 1 . . . . 69 S N . 26855 1 251 . 1 1 89 89 ARG H H 1 8.171 0.003 . 1 . . . . 70 R H . 26855 1 252 . 1 1 89 89 ARG CA C 13 56.690 0.020 . 1 . . . . 70 R CA . 26855 1 253 . 1 1 89 89 ARG CB C 13 30.707 0.020 . 1 . . . . 70 R CB . 26855 1 254 . 1 1 89 89 ARG N N 15 122.450 0.018 . 1 . . . . 70 R N . 26855 1 255 . 1 1 93 93 ILE C C 13 176.056 0.020 . 1 . . . . 74 I C . 26855 1 256 . 1 1 93 93 ILE CA C 13 61.390 0.020 . 1 . . . . 74 I CA . 26855 1 257 . 1 1 93 93 ILE CB C 13 38.762 0.020 . 1 . . . . 74 I CB . 26855 1 258 . 1 1 94 94 GLN H H 1 8.549 0.002 . 1 . . . . 75 Q H . 26855 1 259 . 1 1 94 94 GLN C C 13 175.686 0.020 . 1 . . . . 75 Q C . 26855 1 260 . 1 1 94 94 GLN CA C 13 55.654 0.020 . 1 . . . . 75 Q CA . 26855 1 261 . 1 1 94 94 GLN CB C 13 29.473 0.020 . 1 . . . . 75 Q CB . 26855 1 262 . 1 1 94 94 GLN N N 15 124.791 0.040 . 1 . . . . 75 Q N . 26855 1 263 . 1 1 95 95 GLU H H 1 8.492 0.002 . 1 . . . . 76 E H . 26855 1 264 . 1 1 95 95 GLU C C 13 176.318 0.020 . 1 . . . . 76 E C . 26855 1 265 . 1 1 95 95 GLU CA C 13 56.844 0.020 . 1 . . . . 76 E CA . 26855 1 266 . 1 1 95 95 GLU CB C 13 30.131 0.020 . 1 . . . . 76 E CB . 26855 1 267 . 1 1 95 95 GLU N N 15 122.765 0.040 . 1 . . . . 76 E N . 26855 1 268 . 1 1 96 96 TYR H H 1 8.114 0.002 . 1 . . . . 77 Y H . 26855 1 269 . 1 1 96 96 TYR C C 13 175.775 0.020 . 1 . . . . 77 Y C . 26855 1 270 . 1 1 96 96 TYR CA C 13 57.995 0.020 . 1 . . . . 77 Y CA . 26855 1 271 . 1 1 96 96 TYR CB C 13 38.762 0.020 . 1 . . . . 77 Y CB . 26855 1 272 . 1 1 96 96 TYR N N 15 119.885 0.040 . 1 . . . . 77 Y N . 26855 1 273 . 1 1 97 97 GLU H H 1 8.250 0.002 . 1 . . . . 78 E H . 26855 1 274 . 1 1 97 97 GLU C C 13 176.104 0.020 . 1 . . . . 78 E C . 26855 1 275 . 1 1 97 97 GLU CA C 13 56.625 0.020 . 1 . . . . 78 E CA . 26855 1 276 . 1 1 97 97 GLU CB C 13 30.515 0.020 . 1 . . . . 78 E CB . 26855 1 277 . 1 1 97 97 GLU N N 15 121.906 0.040 . 1 . . . . 78 E N . 26855 1 278 . 1 1 98 98 LEU H H 1 8.119 0.002 . 1 . . . . 79 L H . 26855 1 279 . 1 1 98 98 LEU C C 13 177.157 0.020 . 1 . . . . 79 L C . 26855 1 280 . 1 1 98 98 LEU CA C 13 55.392 0.020 . 1 . . . . 79 L CA . 26855 1 281 . 1 1 98 98 LEU CB C 13 42.323 0.020 . 1 . . . . 79 L CB . 26855 1 282 . 1 1 98 98 LEU N N 15 123.001 0.040 . 1 . . . . 79 L N . 26855 1 283 . 1 1 99 99 ILE H H 1 7.965 0.002 . 1 . . . . 80 I H . 26855 1 284 . 1 1 99 99 ILE C C 13 175.953 0.020 . 1 . . . . 80 I C . 26855 1 285 . 1 1 99 99 ILE CA C 13 61.000 0.020 . 1 . . . . 80 I CA . 26855 1 286 . 1 1 99 99 ILE CB C 13 38.661 0.020 . 1 . . . . 80 I CB . 26855 1 287 . 1 1 99 99 ILE N N 15 121.007 0.040 . 1 . . . . 80 I N . 26855 1 288 . 1 1 100 100 HIS H H 1 8.505 0.002 . 1 . . . . 81 H H . 26855 1 289 . 1 1 100 100 HIS C C 13 174.608 0.020 . 1 . . . . 81 H C . 26855 1 290 . 1 1 100 100 HIS CA C 13 58.113 0.020 . 1 . . . . 81 H CA . 26855 1 291 . 1 1 100 100 HIS CB C 13 29.224 0.020 . 1 . . . . 81 H CB . 26855 1 292 . 1 1 100 100 HIS N N 15 123.303 0.040 . 1 . . . . 81 H N . 26855 1 293 . 1 1 101 101 GLN H H 1 8.216 0.007 . 1 . . . . 82 Q H . 26855 1 294 . 1 1 101 101 GLN C C 13 175.531 0.020 . 1 . . . . 82 Q C . 26855 1 295 . 1 1 101 101 GLN CA C 13 56.019 0.020 . 1 . . . . 82 Q CA . 26855 1 296 . 1 1 101 101 GLN CB C 13 29.546 0.020 . 1 . . . . 82 Q CB . 26855 1 297 . 1 1 101 101 GLN N N 15 121.732 0.015 . 1 . . . . 82 Q N . 26855 1 298 . 1 1 102 102 ASP H H 1 8.514 0.001 . 1 . . . . 83 D H . 26855 1 299 . 1 1 102 102 ASP C C 13 176.276 0.020 . 1 . . . . 83 D C . 26855 1 300 . 1 1 102 102 ASP CA C 13 54.703 0.020 . 1 . . . . 83 D CA . 26855 1 301 . 1 1 102 102 ASP CB C 13 41.091 0.020 . 1 . . . . 83 D CB . 26855 1 302 . 1 1 102 102 ASP N N 15 121.851 0.006 . 1 . . . . 83 D N . 26855 1 303 . 1 1 103 103 LYS H H 1 8.286 0.002 . 1 . . . . 84 K H . 26855 1 304 . 1 1 103 103 LYS C C 13 176.827 0.020 . 1 . . . . 84 K C . 26855 1 305 . 1 1 103 103 LYS CA C 13 56.502 0.020 . 1 . . . . 84 K CA . 26855 1 306 . 1 1 103 103 LYS CB C 13 32.929 0.020 . 1 . . . . 84 K CB . 26855 1 307 . 1 1 103 103 LYS N N 15 121.156 0.016 . 1 . . . . 84 K N . 26855 1 308 . 1 1 104 104 GLU H H 1 8.494 0.001 . 1 . . . . 85 E H . 26855 1 309 . 1 1 104 104 GLU C C 13 176.369 0.020 . 1 . . . . 85 E C . 26855 1 310 . 1 1 104 104 GLU CA C 13 56.878 0.020 . 1 . . . . 85 E CA . 26855 1 311 . 1 1 104 104 GLU CB C 13 30.002 0.020 . 1 . . . . 85 E CB . 26855 1 312 . 1 1 104 104 GLU N N 15 121.564 0.018 . 1 . . . . 85 E N . 26855 1 313 . 1 1 105 105 ASP H H 1 8.335 0.004 . 1 . . . . 86 D H . 26855 1 314 . 1 1 105 105 ASP C C 13 176.588 0.020 . 1 . . . . 86 D C . 26855 1 315 . 1 1 105 105 ASP CA C 13 54.461 0.020 . 1 . . . . 86 D CA . 26855 1 316 . 1 1 105 105 ASP CB C 13 41.171 0.020 . 1 . . . . 86 D CB . 26855 1 317 . 1 1 105 105 ASP N N 15 121.096 0.017 . 1 . . . . 86 D N . 26855 1 318 . 1 1 106 106 GLU H H 1 8.474 0.001 . 1 . . . . 87 E H . 26855 1 319 . 1 1 106 106 GLU C C 13 177.586 0.020 . 1 . . . . 87 E C . 26855 1 320 . 1 1 106 106 GLU CA C 13 57.576 0.020 . 1 . . . . 87 E CA . 26855 1 321 . 1 1 106 106 GLU CB C 13 30.002 0.020 . 1 . . . . 87 E CB . 26855 1 322 . 1 1 106 106 GLU N N 15 122.052 0.006 . 1 . . . . 87 E N . 26855 1 323 . 1 1 107 107 GLY H H 1 8.567 0.001 . 1 . . . . 88 G H . 26855 1 324 . 1 1 107 107 GLY C C 13 174.996 0.020 . 1 . . . . 88 G C . 26855 1 325 . 1 1 107 107 GLY CA C 13 45.870 0.020 . 1 . . . . 88 G CA . 26855 1 326 . 1 1 107 107 GLY N N 15 109.115 0.007 . 1 . . . . 88 G N . 26855 1 327 . 1 1 108 108 CYS H H 1 8.140 0.001 . 1 . . . . 89 C H . 26855 1 328 . 1 1 108 108 CYS C C 13 175.327 0.020 . 1 . . . . 89 C C . 26855 1 329 . 1 1 108 108 CYS CA C 13 59.599 0.020 . 1 . . . . 89 C CA . 26855 1 330 . 1 1 108 108 CYS CB C 13 27.641 0.020 . 1 . . . . 89 C CB . 26855 1 331 . 1 1 108 108 CYS N N 15 119.110 0.014 . 1 . . . . 89 C N . 26855 1 332 . 1 1 109 109 LEU H H 1 8.272 0.002 . 1 . . . . 90 L H . 26855 1 333 . 1 1 109 109 LEU CA C 13 56.207 0.020 . 1 . . . . 90 L CA . 26855 1 334 . 1 1 109 109 LEU CB C 13 41.994 0.020 . 1 . . . . 90 L CB . 26855 1 335 . 1 1 109 109 LEU N N 15 123.206 0.017 . 1 . . . . 90 L N . 26855 1 336 . 1 1 110 110 ARG H H 1 8.200 0.002 . 1 . . . . 91 R H . 26855 1 337 . 1 1 110 110 ARG N N 15 122.299 0.040 . 1 . . . . 91 R N . 26855 1 338 . 1 1 111 111 LYS H H 1 8.290 0.002 . 1 . . . . 92 K H . 26855 1 339 . 1 1 111 111 LYS N N 15 123.555 0.040 . 1 . . . . 92 K N . 26855 1 340 . 1 1 112 112 TYR H H 1 7.743 0.002 . 1 . . . . 93 Y H . 26855 1 341 . 1 1 112 112 TYR N N 15 126.093 0.040 . 1 . . . . 93 Y N . 26855 1 342 . 1 1 130 130 TYR C C 13 178.266 0.020 . 1 . . . . 111 Y C . 26855 1 343 . 1 1 131 131 GLY H H 1 8.612 0.002 . 1 . . . . 112 G H . 26855 1 344 . 1 1 131 131 GLY CA C 13 44.717 0.020 . 1 . . . . 112 G CA . 26855 1 345 . 1 1 131 131 GLY N N 15 110.801 0.040 . 1 . . . . 112 G N . 26855 1 346 . 1 1 132 132 PHE H H 1 7.233 0.003 . 1 . . . . 113 F H . 26855 1 347 . 1 1 132 132 PHE CA C 13 55.565 0.020 . 1 . . . . 113 F CA . 26855 1 348 . 1 1 132 132 PHE CB C 13 41.443 0.020 . 1 . . . . 113 F CB . 26855 1 349 . 1 1 132 132 PHE N N 15 116.033 0.047 . 1 . . . . 113 F N . 26855 1 350 . 1 1 133 133 VAL H H 1 9.025 0.002 . 1 . . . . 114 V H . 26855 1 351 . 1 1 133 133 VAL CA C 13 62.631 0.020 . 1 . . . . 114 V CA . 26855 1 352 . 1 1 133 133 VAL CB C 13 31.499 0.020 . 1 . . . . 114 V CB . 26855 1 353 . 1 1 133 133 VAL N N 15 121.704 0.041 . 1 . . . . 114 V N . 26855 1 354 . 1 1 134 134 TYR H H 1 9.306 0.016 . 1 . . . . 115 Y H . 26855 1 355 . 1 1 134 134 TYR CA C 13 58.512 0.020 . 1 . . . . 115 Y CA . 26855 1 356 . 1 1 134 134 TYR CB C 13 39.057 0.020 . 1 . . . . 115 Y CB . 26855 1 357 . 1 1 134 134 TYR N N 15 130.545 0.010 . 1 . . . . 115 Y N . 26855 1 358 . 1 1 135 135 GLU H H 1 8.912 0.002 . 1 . . . . 116 E H . 26855 1 359 . 1 1 135 135 GLU CA C 13 55.638 0.020 . 1 . . . . 116 E CA . 26855 1 360 . 1 1 135 135 GLU CB C 13 29.981 0.020 . 1 . . . . 116 E CB . 26855 1 361 . 1 1 135 135 GLU N N 15 126.313 0.020 . 1 . . . . 116 E N . 26855 1 362 . 1 1 136 136 LEU H H 1 9.011 0.005 . 1 . . . . 117 L H . 26855 1 363 . 1 1 136 136 LEU CA C 13 53.257 0.020 . 1 . . . . 117 L CA . 26855 1 364 . 1 1 136 136 LEU CB C 13 43.108 0.020 . 1 . . . . 117 L CB . 26855 1 365 . 1 1 136 136 LEU N N 15 128.657 0.011 . 1 . . . . 117 L N . 26855 1 366 . 1 1 137 137 GLU H H 1 8.899 0.002 . 1 . . . . 118 E H . 26855 1 367 . 1 1 137 137 GLU CA C 13 58.038 0.020 . 1 . . . . 118 E CA . 26855 1 368 . 1 1 137 137 GLU CB C 13 32.432 0.020 . 1 . . . . 118 E CB . 26855 1 369 . 1 1 137 137 GLU N N 15 120.053 0.037 . 1 . . . . 118 E N . 26855 1 370 . 1 1 138 138 THR H H 1 7.089 0.002 . 1 . . . . 119 T H . 26855 1 371 . 1 1 138 138 THR CA C 13 58.755 0.020 . 1 . . . . 119 T CA . 26855 1 372 . 1 1 138 138 THR CB C 13 74.261 0.020 . 1 . . . . 119 T CB . 26855 1 373 . 1 1 138 138 THR N N 15 130.807 0.040 . 1 . . . . 119 T N . 26855 1 374 . 1 1 139 139 GLY H H 1 8.907 0.001 . 1 . . . . 120 G H . 26855 1 375 . 1 1 139 139 GLY CA C 13 47.175 0.020 . 1 . . . . 120 G CA . 26855 1 376 . 1 1 139 139 GLY N N 15 110.014 0.041 . 1 . . . . 120 G N . 26855 1 377 . 1 1 140 140 GLU H H 1 8.576 0.002 . 1 . . . . 121 E H . 26855 1 378 . 1 1 140 140 GLU CA C 13 60.553 0.020 . 1 . . . . 121 E CA . 26855 1 379 . 1 1 140 140 GLU CB C 13 29.008 0.020 . 1 . . . . 121 E CB . 26855 1 380 . 1 1 140 140 GLU N N 15 122.020 0.040 . 1 . . . . 121 E N . 26855 1 381 . 1 1 141 141 GLN H H 1 8.122 0.002 . 1 . . . . 122 Q H . 26855 1 382 . 1 1 141 141 GLN CA C 13 58.516 0.020 . 1 . . . . 122 Q CA . 26855 1 383 . 1 1 141 141 GLN CB C 13 28.980 0.020 . 1 . . . . 122 Q CB . 26855 1 384 . 1 1 141 141 GLN N N 15 120.390 0.040 . 1 . . . . 122 Q N . 26855 1 385 . 1 1 142 142 PHE CA C 13 59.694 0.020 . 1 . . . . 123 F CA . 26855 1 386 . 1 1 142 142 PHE CB C 13 38.311 0.020 . 1 . . . . 123 F CB . 26855 1 387 . 1 1 145 145 THR CB C 13 68.605 0.020 . 1 . . . . 126 T CB . 26855 1 388 . 1 1 146 146 ILE H H 1 7.114 0.005 . 1 . . . . 127 I H . 26855 1 389 . 1 1 146 146 ILE CA C 13 63.429 0.020 . 1 . . . . 127 I CA . 26855 1 390 . 1 1 146 146 ILE CB C 13 37.551 0.020 . 1 . . . . 127 I CB . 26855 1 391 . 1 1 146 146 ILE N N 15 115.900 0.040 . 1 . . . . 127 I N . 26855 1 392 . 1 1 147 147 GLU H H 1 7.823 0.005 . 1 . . . . 128 E H . 26855 1 393 . 1 1 147 147 GLU CA C 13 58.664 0.020 . 1 . . . . 128 E CA . 26855 1 394 . 1 1 147 147 GLU CB C 13 30.678 0.020 . 1 . . . . 128 E CB . 26855 1 395 . 1 1 147 147 GLU N N 15 117.080 0.034 . 1 . . . . 128 E N . 26855 1 396 . 1 1 148 148 LYS H H 1 7.984 0.004 . 1 . . . . 129 K H . 26855 1 397 . 1 1 148 148 LYS CA C 13 56.548 0.020 . 1 . . . . 129 K CA . 26855 1 398 . 1 1 148 148 LYS CB C 13 32.641 0.020 . 1 . . . . 129 K CB . 26855 1 399 . 1 1 148 148 LYS N N 15 114.932 0.039 . 1 . . . . 129 K N . 26855 1 400 . 1 1 149 149 GLU H H 1 6.999 0.011 . 1 . . . . 130 E H . 26855 1 401 . 1 1 149 149 GLU CA C 13 56.098 0.020 . 1 . . . . 130 E CA . 26855 1 402 . 1 1 149 149 GLU CB C 13 29.856 0.020 . 1 . . . . 130 E CB . 26855 1 403 . 1 1 149 149 GLU N N 15 119.563 0.036 . 1 . . . . 130 E N . 26855 1 404 . 1 1 150 150 GLN H H 1 8.946 0.005 . 1 . . . . 131 Q H . 26855 1 405 . 1 1 150 150 GLN CA C 13 57.194 0.020 . 1 . . . . 131 Q CA . 26855 1 406 . 1 1 150 150 GLN CB C 13 29.038 0.020 . 1 . . . . 131 Q CB . 26855 1 407 . 1 1 150 150 GLN N N 15 123.093 0.019 . 1 . . . . 131 Q N . 26855 1 408 . 1 1 151 151 LYS H H 1 8.809 0.002 . 1 . . . . 132 K H . 26855 1 409 . 1 1 151 151 LYS CA C 13 59.010 0.020 . 1 . . . . 132 K CA . 26855 1 410 . 1 1 151 151 LYS CB C 13 32.376 0.020 . 1 . . . . 132 K CB . 26855 1 411 . 1 1 151 151 LYS N N 15 122.611 0.035 . 1 . . . . 132 K N . 26855 1 412 . 1 1 152 152 VAL H H 1 7.171 0.002 . 1 . . . . 133 V H . 26855 1 413 . 1 1 152 152 VAL CA C 13 62.812 0.756 . 1 . . . . 133 V CA . 26855 1 414 . 1 1 152 152 VAL CB C 13 31.754 0.020 . 1 . . . . 133 V CB . 26855 1 415 . 1 1 152 152 VAL N N 15 107.975 0.009 . 1 . . . . 133 V N . 26855 1 416 . 1 1 153 153 THR H H 1 7.538 0.001 . 1 . . . . 134 T H . 26855 1 417 . 1 1 153 153 THR CB C 13 70.735 0.020 . 1 . . . . 134 T CB . 26855 1 418 . 1 1 153 153 THR N N 15 120.800 0.022 . 1 . . . . 134 T N . 26855 1 419 . 1 1 154 154 THR H H 1 9.613 0.003 . 1 . . . . 135 T H . 26855 1 420 . 1 1 154 154 THR CA C 13 64.216 0.020 . 1 . . . . 135 T CA . 26855 1 421 . 1 1 154 154 THR CB C 13 69.151 0.020 . 1 . . . . 135 T CB . 26855 1 422 . 1 1 154 154 THR N N 15 127.853 0.040 . 1 . . . . 135 T N . 26855 1 423 . 1 1 155 155 ILE H H 1 9.202 0.012 . 1 . . . . 136 I H . 26855 1 424 . 1 1 155 155 ILE CA C 13 59.172 0.020 . 1 . . . . 136 I CA . 26855 1 425 . 1 1 155 155 ILE CB C 13 40.957 0.020 . 1 . . . . 136 I CB . 26855 1 426 . 1 1 155 155 ILE N N 15 127.357 0.031 . 1 . . . . 136 I N . 26855 1 427 . 1 1 156 156 VAL H H 1 9.217 0.002 . 1 . . . . 137 V H . 26855 1 428 . 1 1 156 156 VAL CB C 13 33.403 0.020 . 1 . . . . 137 V CB . 26855 1 429 . 1 1 156 156 VAL N N 15 127.404 0.040 . 1 . . . . 137 V N . 26855 1 430 . 1 1 157 157 VAL H H 1 9.727 0.003 . 1 . . . . 138 V H . 26855 1 431 . 1 1 157 157 VAL CA C 13 60.855 0.020 . 1 . . . . 138 V CA . 26855 1 432 . 1 1 157 157 VAL N N 15 126.261 0.005 . 1 . . . . 138 V N . 26855 1 433 . 1 1 158 158 ASN H H 1 8.822 0.009 . 1 . . . . 139 N H . 26855 1 434 . 1 1 158 158 ASN CA C 13 51.961 0.020 . 1 . . . . 139 N CA . 26855 1 435 . 1 1 158 158 ASN CB C 13 40.410 0.020 . 1 . . . . 139 N CB . 26855 1 436 . 1 1 158 158 ASN N N 15 125.245 0.030 . 1 . . . . 139 N N . 26855 1 437 . 1 1 161 161 GLU CA C 13 56.899 0.020 . 1 . . . . 142 E CA . 26855 1 438 . 1 1 161 161 GLU CB C 13 34.210 0.020 . 1 . . . . 142 E CB . 26855 1 439 . 1 1 162 162 ASP H H 1 9.055 0.001 . 1 . . . . 143 D H . 26855 1 440 . 1 1 162 162 ASP CA C 13 56.401 0.020 . 1 . . . . 143 D CA . 26855 1 441 . 1 1 162 162 ASP CB C 13 40.587 0.020 . 1 . . . . 143 D CB . 26855 1 442 . 1 1 162 162 ASP N N 15 123.109 0.006 . 1 . . . . 143 D N . 26855 1 443 . 1 1 163 163 GLY H H 1 9.338 0.003 . 1 . . . . 144 G H . 26855 1 444 . 1 1 163 163 GLY CA C 13 45.766 0.020 . 1 . . . . 144 G CA . 26855 1 445 . 1 1 163 163 GLY N N 15 110.771 0.011 . 1 . . . . 144 G N . 26855 1 446 . 1 1 164 164 VAL H H 1 7.285 0.001 . 1 . . . . 145 V H . 26855 1 447 . 1 1 164 164 VAL CA C 13 62.540 0.020 . 1 . . . . 145 V CA . 26855 1 448 . 1 1 164 164 VAL CB C 13 31.917 0.020 . 1 . . . . 145 V CB . 26855 1 449 . 1 1 164 164 VAL N N 15 121.306 0.014 . 1 . . . . 145 V N . 26855 1 450 . 1 1 165 165 ARG H H 1 9.085 0.002 . 1 . . . . 146 R H . 26855 1 451 . 1 1 165 165 ARG CA C 13 58.821 0.020 . 1 . . . . 146 R CA . 26855 1 452 . 1 1 165 165 ARG CB C 13 29.897 0.020 . 1 . . . . 146 R CB . 26855 1 453 . 1 1 165 165 ARG N N 15 132.135 0.040 . 1 . . . . 146 R N . 26855 1 454 . 1 1 166 166 GLY H H 1 8.715 0.001 . 1 . . . . 147 G H . 26855 1 455 . 1 1 166 166 GLY CA C 13 45.948 0.020 . 1 . . . . 147 G CA . 26855 1 456 . 1 1 166 166 GLY N N 15 112.823 0.050 . 1 . . . . 147 G N . 26855 1 457 . 1 1 167 167 CYS H H 1 8.129 0.005 . 1 . . . . 148 C H . 26855 1 458 . 1 1 167 167 CYS CA C 13 65.143 0.020 . 1 . . . . 148 C CA . 26855 1 459 . 1 1 167 167 CYS CB C 13 28.255 0.020 . 1 . . . . 148 C CB . 26855 1 460 . 1 1 167 167 CYS N N 15 117.743 0.013 . 1 . . . . 148 C N . 26855 1 461 . 1 1 168 168 ASP H H 1 8.751 0.005 . 1 . . . . 149 D H . 26855 1 462 . 1 1 168 168 ASP CA C 13 57.506 0.020 . 1 . . . . 149 D CA . 26855 1 463 . 1 1 168 168 ASP CB C 13 39.268 0.020 . 1 . . . . 149 D CB . 26855 1 464 . 1 1 168 168 ASP N N 15 121.326 0.021 . 1 . . . . 149 D N . 26855 1 465 . 1 1 169 169 ALA H H 1 8.642 0.007 . 1 . . . . 150 A H . 26855 1 466 . 1 1 169 169 ALA CA C 13 54.572 0.020 . 1 . . . . 150 A CA . 26855 1 467 . 1 1 169 169 ALA CB C 13 17.338 0.020 . 1 . . . . 150 A CB . 26855 1 468 . 1 1 169 169 ALA N N 15 123.959 0.005 . 1 . . . . 150 A N . 26855 1 469 . 1 1 170 170 LEU H H 1 8.204 0.002 . 1 . . . . 151 L H . 26855 1 470 . 1 1 170 170 LEU C C 13 178.228 0.020 . 1 . . . . 151 L C . 26855 1 471 . 1 1 170 170 LEU CA C 13 54.433 0.020 . 1 . . . . 151 L CA . 26855 1 472 . 1 1 170 170 LEU CB C 13 41.255 0.020 . 1 . . . . 151 L CB . 26855 1 473 . 1 1 170 170 LEU N N 15 121.331 0.040 . 1 . . . . 151 L N . 26855 1 474 . 1 1 178 178 ALA CA C 13 54.351 0.020 . 1 . . . . 159 A CA . 26855 1 475 . 1 1 178 178 ALA CB C 13 17.310 0.020 . 1 . . . . 159 A CB . 26855 1 476 . 1 1 179 179 ALA H H 1 6.737 0.001 . 1 . . . . 160 A H . 26855 1 477 . 1 1 179 179 ALA CA C 13 53.703 0.020 . 1 . . . . 160 A CA . 26855 1 478 . 1 1 179 179 ALA CB C 13 18.642 0.020 . 1 . . . . 160 A CB . 26855 1 479 . 1 1 179 179 ALA N N 15 116.619 0.025 . 1 . . . . 160 A N . 26855 1 480 . 1 1 180 180 GLU H H 1 7.405 0.002 . 1 . . . . 161 E H . 26855 1 481 . 1 1 180 180 GLU CA C 13 57.493 0.020 . 1 . . . . 161 E CA . 26855 1 482 . 1 1 180 180 GLU CB C 13 30.404 0.020 . 1 . . . . 161 E CB . 26855 1 483 . 1 1 180 180 GLU N N 15 117.188 0.009 . 1 . . . . 161 E N . 26855 1 484 . 1 1 181 181 TYR H H 1 8.172 0.002 . 1 . . . . 162 Y H . 26855 1 485 . 1 1 181 181 TYR CA C 13 59.030 0.020 . 1 . . . . 162 Y CA . 26855 1 486 . 1 1 181 181 TYR CB C 13 41.192 0.020 . 1 . . . . 162 Y CB . 26855 1 487 . 1 1 181 181 TYR N N 15 116.203 0.040 . 1 . . . . 162 Y N . 26855 1 488 . 1 1 186 186 PHE CA C 13 58.033 0.020 . 1 . . . . 167 F CA . 26855 1 489 . 1 1 186 186 PHE CB C 13 41.431 0.020 . 1 . . . . 167 F CB . 26855 1 490 . 1 1 187 187 CYS H H 1 8.162 0.003 . 1 . . . . 168 C H . 26855 1 491 . 1 1 187 187 CYS CA C 13 59.395 0.020 . 1 . . . . 168 C CA . 26855 1 492 . 1 1 187 187 CYS CB C 13 29.887 0.020 . 1 . . . . 168 C CB . 26855 1 493 . 1 1 187 187 CYS N N 15 117.813 0.010 . 1 . . . . 168 C N . 26855 1 494 . 1 1 188 188 LYS H H 1 7.840 0.002 . 1 . . . . 169 K H . 26855 1 495 . 1 1 188 188 LYS CA C 13 53.118 0.020 . 1 . . . . 169 K CA . 26855 1 496 . 1 1 188 188 LYS N N 15 115.564 0.076 . 1 . . . . 169 K N . 26855 1 497 . 1 1 190 190 ARG CB C 13 29.773 0.020 . 1 . . . . 171 R CB . 26855 1 498 . 1 1 191 191 ALA H H 1 8.618 0.008 . 1 . . . . 172 A H . 26855 1 499 . 1 1 191 191 ALA CA C 13 55.445 0.020 . 1 . . . . 172 A CA . 26855 1 500 . 1 1 191 191 ALA CB C 13 18.958 0.020 . 1 . . . . 172 A CB . 26855 1 501 . 1 1 191 191 ALA N N 15 127.913 0.018 . 1 . . . . 172 A N . 26855 1 502 . 1 1 192 192 SER H H 1 8.913 0.002 . 1 . . . . 173 S H . 26855 1 503 . 1 1 192 192 SER CA C 13 60.450 0.020 . 1 . . . . 173 S CA . 26855 1 504 . 1 1 192 192 SER CB C 13 62.321 0.020 . 1 . . . . 173 S CB . 26855 1 505 . 1 1 192 192 SER N N 15 112.496 0.030 . 1 . . . . 173 S N . 26855 1 506 . 1 1 193 193 ASN H H 1 8.044 0.002 . 1 . . . . 174 N H . 26855 1 507 . 1 1 193 193 ASN CA C 13 53.284 0.020 . 1 . . . . 174 N CA . 26855 1 508 . 1 1 193 193 ASN CB C 13 39.063 0.020 . 1 . . . . 174 N CB . 26855 1 509 . 1 1 193 193 ASN N N 15 120.453 0.040 . 1 . . . . 174 N N . 26855 1 510 . 1 1 194 194 THR CA C 13 64.170 0.020 . 1 . . . . 175 T CA . 26855 1 511 . 1 1 194 194 THR CB C 13 71.823 0.020 . 1 . . . . 175 T CB . 26855 1 512 . 1 1 195 195 GLY H H 1 8.270 0.002 . 1 . . . . 176 G H . 26855 1 513 . 1 1 195 195 GLY CA C 13 45.706 0.020 . 1 . . . . 176 G CA . 26855 1 514 . 1 1 195 195 GLY N N 15 109.417 0.040 . 1 . . . . 176 G N . 26855 1 515 . 1 1 196 196 ALA H H 1 8.205 0.002 . 1 . . . . 177 A H . 26855 1 516 . 1 1 196 196 ALA CA C 13 51.545 0.020 . 1 . . . . 177 A CA . 26855 1 517 . 1 1 196 196 ALA CB C 13 19.070 0.020 . 1 . . . . 177 A CB . 26855 1 518 . 1 1 196 196 ALA N N 15 123.279 0.040 . 1 . . . . 177 A N . 26855 1 519 . 1 1 197 197 GLY H H 1 8.597 0.002 . 1 . . . . 178 G H . 26855 1 520 . 1 1 197 197 GLY CA C 13 46.775 0.020 . 1 . . . . 178 G CA . 26855 1 521 . 1 1 197 197 GLY N N 15 108.947 0.040 . 1 . . . . 178 G N . 26855 1 522 . 1 1 198 198 ASP H H 1 8.529 0.004 . 1 . . . . 179 D H . 26855 1 523 . 1 1 198 198 ASP CA C 13 55.077 0.020 . 1 . . . . 179 D CA . 26855 1 524 . 1 1 198 198 ASP CB C 13 40.038 0.020 . 1 . . . . 179 D CB . 26855 1 525 . 1 1 198 198 ASP N N 15 120.112 0.006 . 1 . . . . 179 D N . 26855 1 526 . 1 1 199 199 ARG CA C 13 57.389 0.020 . 1 . . . . 180 R CA . 26855 1 527 . 1 1 199 199 ARG CB C 13 30.698 0.020 . 1 . . . . 180 R CB . 26855 1 528 . 1 1 201 201 SER H H 1 7.244 0.004 . 1 . . . . 182 S H . 26855 1 529 . 1 1 201 201 SER CA C 13 57.942 0.020 . 1 . . . . 182 S CA . 26855 1 530 . 1 1 201 201 SER CB C 13 64.058 0.020 . 1 . . . . 182 S CB . 26855 1 531 . 1 1 201 201 SER N N 15 114.445 0.038 . 1 . . . . 182 S N . 26855 1 532 . 1 1 202 202 SER H H 1 8.772 0.005 . 1 . . . . 183 S H . 26855 1 533 . 1 1 202 202 SER CA C 13 57.866 0.020 . 1 . . . . 183 S CA . 26855 1 534 . 1 1 202 202 SER CB C 13 64.081 0.020 . 1 . . . . 183 S CB . 26855 1 535 . 1 1 202 202 SER N N 15 115.732 0.018 . 1 . . . . 183 S N . 26855 1 536 . 1 1 211 211 TYR H H 1 9.847 0.002 . 1 . . . . 192 Y H . 26855 1 537 . 1 1 211 211 TYR CA C 13 56.811 0.020 . 1 . . . . 192 Y CA . 26855 1 538 . 1 1 211 211 TYR CB C 13 43.876 0.020 . 1 . . . . 192 Y CB . 26855 1 539 . 1 1 211 211 TYR N N 15 127.114 0.044 . 1 . . . . 192 Y N . 26855 1 540 . 1 1 212 212 LYS H H 1 8.745 0.003 . 1 . . . . 193 K H . 26855 1 541 . 1 1 212 212 LYS CA C 13 57.536 0.020 . 1 . . . . 193 K CA . 26855 1 542 . 1 1 212 212 LYS CB C 13 36.221 0.020 . 1 . . . . 193 K CB . 26855 1 543 . 1 1 212 212 LYS N N 15 117.781 0.012 . 1 . . . . 193 K N . 26855 1 544 . 1 1 213 213 GLY H H 1 9.497 0.003 . 1 . . . . 194 G H . 26855 1 545 . 1 1 213 213 GLY CA C 13 47.723 0.020 . 1 . . . . 194 G CA . 26855 1 546 . 1 1 213 213 GLY N N 15 120.015 0.052 . 1 . . . . 194 G N . 26855 1 547 . 1 1 214 214 GLY H H 1 9.757 0.002 . 1 . . . . 195 G H . 26855 1 548 . 1 1 214 214 GLY CA C 13 44.619 0.020 . 1 . . . . 195 G CA . 26855 1 549 . 1 1 214 214 GLY N N 15 107.456 0.040 . 1 . . . . 195 G N . 26855 1 550 . 1 1 215 215 GLU H H 1 7.573 0.002 . 1 . . . . 196 E H . 26855 1 551 . 1 1 215 215 GLU CA C 13 54.318 0.020 . 1 . . . . 196 E CA . 26855 1 552 . 1 1 215 215 GLU CB C 13 32.434 0.020 . 1 . . . . 196 E CB . 26855 1 553 . 1 1 215 215 GLU N N 15 118.885 0.040 . 1 . . . . 196 E N . 26855 1 554 . 1 1 216 216 LEU H H 1 8.678 0.006 . 1 . . . . 197 L H . 26855 1 555 . 1 1 216 216 LEU CA C 13 55.283 0.020 . 1 . . . . 197 L CA . 26855 1 556 . 1 1 216 216 LEU CB C 13 41.295 0.020 . 1 . . . . 197 L CB . 26855 1 557 . 1 1 216 216 LEU N N 15 125.442 0.013 . 1 . . . . 197 L N . 26855 1 558 . 1 1 217 217 ILE H H 1 9.264 0.003 . 1 . . . . 198 I H . 26855 1 559 . 1 1 217 217 ILE CA C 13 61.420 0.020 . 1 . . . . 198 I CA . 26855 1 560 . 1 1 217 217 ILE CB C 13 38.570 0.020 . 1 . . . . 198 I CB . 26855 1 561 . 1 1 217 217 ILE N N 15 126.071 0.051 . 1 . . . . 198 I N . 26855 1 562 . 1 1 224 224 ALA CA C 13 53.936 0.020 . 1 . . . . 205 A CA . 26855 1 563 . 1 1 224 224 ALA CB C 13 17.712 0.020 . 1 . . . . 205 A CB . 26855 1 564 . 1 1 225 225 GLU H H 1 7.628 0.001 . 1 . . . . 206 E H . 26855 1 565 . 1 1 225 225 GLU CA C 13 57.700 0.020 . 1 . . . . 206 E CA . 26855 1 566 . 1 1 225 225 GLU CB C 13 29.236 0.020 . 1 . . . . 206 E CB . 26855 1 567 . 1 1 225 225 GLU N N 15 116.143 0.046 . 1 . . . . 206 E N . 26855 1 568 . 1 1 226 226 GLN H H 1 7.238 0.002 . 1 . . . . 207 Q H . 26855 1 569 . 1 1 226 226 GLN CA C 13 55.274 0.020 . 1 . . . . 207 Q CA . 26855 1 570 . 1 1 226 226 GLN CB C 13 27.035 0.020 . 1 . . . . 207 Q CB . 26855 1 571 . 1 1 226 226 GLN N N 15 114.876 0.040 . 1 . . . . 207 Q N . 26855 1 572 . 1 1 227 227 PHE H H 1 6.809 0.006 . 1 . . . . 208 F H . 26855 1 573 . 1 1 227 227 PHE CA C 13 54.554 0.020 . 1 . . . . 208 F CA . 26855 1 574 . 1 1 227 227 PHE CB C 13 42.446 0.020 . 1 . . . . 208 F CB . 26855 1 575 . 1 1 227 227 PHE N N 15 117.200 0.013 . 1 . . . . 208 F N . 26855 1 576 . 1 1 228 228 ALA H H 1 8.427 0.002 . 1 . . . . 209 A H . 26855 1 577 . 1 1 228 228 ALA C C 13 176.976 0.020 . 1 . . . . 209 A C . 26855 1 578 . 1 1 228 228 ALA CA C 13 51.968 0.020 . 1 . . . . 209 A CA . 26855 1 579 . 1 1 228 228 ALA CB C 13 19.168 0.020 . 1 . . . . 209 A CB . 26855 1 580 . 1 1 228 228 ALA N N 15 121.699 0.040 . 1 . . . . 209 A N . 26855 1 581 . 1 1 233 233 ALA H H 1 8.915 0.002 . 1 . . . . 214 A H . 26855 1 582 . 1 1 233 233 ALA CA C 13 56.931 0.020 . 1 . . . . 214 A CA . 26855 1 583 . 1 1 233 233 ALA CB C 13 18.761 0.020 . 1 . . . . 214 A CB . 26855 1 584 . 1 1 233 233 ALA N N 15 124.316 0.039 . 1 . . . . 214 A N . 26855 1 585 . 1 1 234 234 ALA H H 1 8.645 0.001 . 1 . . . . 215 A H . 26855 1 586 . 1 1 234 234 ALA CA C 13 55.228 0.020 . 1 . . . . 215 A CA . 26855 1 587 . 1 1 234 234 ALA CB C 13 18.598 0.020 . 1 . . . . 215 A CB . 26855 1 588 . 1 1 234 234 ALA N N 15 116.996 0.027 . 1 . . . . 215 A N . 26855 1 589 . 1 1 235 235 ASP H H 1 7.688 0.001 . 1 . . . . 216 D H . 26855 1 590 . 1 1 235 235 ASP CA C 13 57.310 0.020 . 1 . . . . 216 D CA . 26855 1 591 . 1 1 235 235 ASP CB C 13 41.695 0.020 . 1 . . . . 216 D CB . 26855 1 592 . 1 1 235 235 ASP N N 15 116.418 0.010 . 1 . . . . 216 D N . 26855 1 593 . 1 1 236 236 VAL H H 1 7.477 0.005 . 1 . . . . 217 V H . 26855 1 594 . 1 1 236 236 VAL CA C 13 66.290 0.020 . 1 . . . . 217 V CA . 26855 1 595 . 1 1 236 236 VAL CB C 13 31.581 0.020 . 1 . . . . 217 V CB . 26855 1 596 . 1 1 236 236 VAL N N 15 121.476 0.001 . 1 . . . . 217 V N . 26855 1 597 . 1 1 237 237 GLU H H 1 9.145 0.006 . 1 . . . . 218 E H . 26855 1 598 . 1 1 237 237 GLU CA C 13 59.657 0.020 . 1 . . . . 218 E CA . 26855 1 599 . 1 1 237 237 GLU CB C 13 30.785 0.020 . 1 . . . . 218 E CB . 26855 1 600 . 1 1 237 237 GLU N N 15 121.438 0.010 . 1 . . . . 218 E N . 26855 1 601 . 1 1 238 238 SER H H 1 8.030 0.002 . 1 . . . . 219 S H . 26855 1 602 . 1 1 238 238 SER C C 13 174.475 0.020 . 1 . . . . 219 S C . 26855 1 603 . 1 1 238 238 SER CA C 13 59.516 0.020 . 1 . . . . 219 S CA . 26855 1 604 . 1 1 238 238 SER CB C 13 62.845 0.020 . 1 . . . . 219 S CB . 26855 1 605 . 1 1 238 238 SER N N 15 112.602 0.048 . 1 . . . . 219 S N . 26855 1 606 . 1 1 240 240 LEU CB C 13 41.072 0.020 . 1 . . . . 221 L CB . 26855 1 607 . 1 1 241 241 ASN H H 1 8.718 0.005 . 1 . . . . 222 N H . 26855 1 608 . 1 1 241 241 ASN CA C 13 55.413 0.020 . 1 . . . . 222 N CA . 26855 1 609 . 1 1 241 241 ASN CB C 13 38.249 0.020 . 1 . . . . 222 N CB . 26855 1 610 . 1 1 241 241 ASN N N 15 117.490 0.041 . 1 . . . . 222 N N . 26855 1 611 . 1 1 242 242 GLU H H 1 8.178 0.003 . 1 . . . . 223 E H . 26855 1 612 . 1 1 242 242 GLU CA C 13 59.227 0.020 . 1 . . . . 223 E CA . 26855 1 613 . 1 1 242 242 GLU CB C 13 28.468 0.020 . 1 . . . . 223 E CB . 26855 1 614 . 1 1 242 242 GLU N N 15 124.722 0.010 . 1 . . . . 223 E N . 26855 1 615 . 1 1 243 243 TYR H H 1 6.875 0.002 . 1 . . . . 224 Y H . 26855 1 616 . 1 1 243 243 TYR CA C 13 58.477 0.020 . 1 . . . . 224 Y CA . 26855 1 617 . 1 1 243 243 TYR CB C 13 39.630 0.020 . 1 . . . . 224 Y CB . 26855 1 618 . 1 1 243 243 TYR N N 15 114.353 0.037 . 1 . . . . 224 Y N . 26855 1 619 . 1 1 244 244 GLY H H 1 7.934 0.002 . 1 . . . . 225 G H . 26855 1 620 . 1 1 244 244 GLY CA C 13 47.011 0.020 . 1 . . . . 225 G CA . 26855 1 621 . 1 1 244 244 GLY N N 15 109.485 0.004 . 1 . . . . 225 G N . 26855 1 622 . 1 1 245 245 LEU H H 1 7.480 0.005 . 1 . . . . 226 L H . 26855 1 623 . 1 1 245 245 LEU CA C 13 55.816 0.020 . 1 . . . . 226 L CA . 26855 1 624 . 1 1 245 245 LEU CB C 13 43.618 0.020 . 1 . . . . 226 L CB . 26855 1 625 . 1 1 245 245 LEU N N 15 115.224 0.058 . 1 . . . . 226 L N . 26855 1 626 . 1 1 246 246 LEU H H 1 7.390 0.004 . 1 . . . . 227 L H . 26855 1 627 . 1 1 246 246 LEU C C 13 175.106 0.020 . 1 . . . . 227 L C . 26855 1 628 . 1 1 246 246 LEU CA C 13 50.941 0.020 . 1 . . . . 227 L CA . 26855 1 629 . 1 1 246 246 LEU CB C 13 41.539 0.020 . 1 . . . . 227 L CB . 26855 1 630 . 1 1 246 246 LEU N N 15 116.047 0.009 . 1 . . . . 227 L N . 26855 1 631 . 1 1 247 247 PRO CA C 13 62.286 0.020 . 1 . . . . 228 P CA . 26855 1 632 . 1 1 247 247 PRO CB C 13 32.234 0.020 . 1 . . . . 228 P CB . 26855 1 633 . 1 1 248 248 GLU C C 13 176.910 0.020 . 1 . . . . 229 E C . 26855 1 634 . 1 1 248 248 GLU CA C 13 57.013 0.020 . 1 . . . . 229 E CA . 26855 1 635 . 1 1 248 248 GLU CB C 13 30.214 0.020 . 1 . . . . 229 E CB . 26855 1 636 . 1 1 249 249 ARG H H 1 8.534 0.004 . 1 . . . . 230 R H . 26855 1 637 . 1 1 249 249 ARG C C 13 176.479 0.020 . 1 . . . . 230 R C . 26855 1 638 . 1 1 249 249 ARG CB C 13 30.980 0.020 . 1 . . . . 230 R CB . 26855 1 639 . 1 1 249 249 ARG N N 15 123.196 0.019 . 1 . . . . 230 R N . 26855 1 640 . 1 1 250 250 GLU H H 1 8.445 0.001 . 1 . . . . 231 E H . 26855 1 641 . 1 1 250 250 GLU C C 13 175.972 0.020 . 1 . . . . 231 E C . 26855 1 642 . 1 1 250 250 GLU CA C 13 56.516 0.020 . 1 . . . . 231 E CA . 26855 1 643 . 1 1 250 250 GLU CB C 13 30.268 0.020 . 1 . . . . 231 E CB . 26855 1 644 . 1 1 250 250 GLU N N 15 122.411 0.008 . 1 . . . . 231 E N . 26855 1 645 . 1 1 251 251 ILE H H 1 8.250 0.001 . 1 . . . . 232 I H . 26855 1 646 . 1 1 251 251 ILE HA H 1 4.084 0.002 . 1 . . . . 232 I HA . 26855 1 647 . 1 1 251 251 ILE HB H 1 1.754 0.002 . 1 . . . . 232 I HB . 26855 1 648 . 1 1 251 251 ILE C C 13 175.957 0.020 . 1 . . . . 232 I C . 26855 1 649 . 1 1 251 251 ILE CA C 13 61.022 0.013 . 1 . . . . 232 I CA . 26855 1 650 . 1 1 251 251 ILE CB C 13 38.741 0.143 . 1 . . . . 232 I CB . 26855 1 651 . 1 1 251 251 ILE N N 15 122.759 0.002 . 1 . . . . 232 I N . 26855 1 652 . 1 1 252 252 HIS H H 1 8.550 0.005 . 1 . . . . 233 H H . 26855 1 653 . 1 1 252 252 HIS HB2 H 1 3.173 0.002 . 2 . . . . 233 H QB . 26855 1 654 . 1 1 252 252 HIS HB3 H 1 3.173 0.002 . 2 . . . . 233 H QB . 26855 1 655 . 1 1 252 252 HIS C C 13 174.163 0.020 . 1 . . . . 233 H C . 26855 1 656 . 1 1 252 252 HIS CA C 13 55.436 0.020 . 1 . . . . 233 H CA . 26855 1 657 . 1 1 252 252 HIS CB C 13 30.023 0.083 . 1 . . . . 233 H CB . 26855 1 658 . 1 1 252 252 HIS N N 15 123.555 0.017 . 1 . . . . 233 H N . 26855 1 659 . 1 1 253 253 ASP H H 1 8.424 0.001 . 1 . . . . 234 D H . 26855 1 660 . 1 1 253 253 ASP HA H 1 4.592 0.002 . 1 . . . . 234 D HA . 26855 1 661 . 1 1 253 253 ASP HB2 H 1 2.658 0.002 . 2 . . . . 234 D QB . 26855 1 662 . 1 1 253 253 ASP HB3 H 1 2.658 0.002 . 2 . . . . 234 D QB . 26855 1 663 . 1 1 253 253 ASP C C 13 176.211 0.020 . 1 . . . . 234 D C . 26855 1 664 . 1 1 253 253 ASP CA C 13 54.361 0.020 . 1 . . . . 234 D CA . 26855 1 665 . 1 1 253 253 ASP CB C 13 41.313 0.020 . 1 . . . . 234 D CB . 26855 1 666 . 1 1 253 253 ASP N N 15 122.057 0.008 . 1 . . . . 234 D N . 26855 1 667 . 1 1 254 254 LEU H H 1 8.424 0.002 . 1 . . . . 235 L H . 26855 1 668 . 1 1 254 254 LEU HA H 1 4.294 0.002 . 1 . . . . 235 L HA . 26855 1 669 . 1 1 254 254 LEU HB2 H 1 1.629 0.002 . 2 . . . . 235 L QB . 26855 1 670 . 1 1 254 254 LEU HB3 H 1 1.629 0.002 . 2 . . . . 235 L QB . 26855 1 671 . 1 1 254 254 LEU C C 13 178.141 0.020 . 1 . . . . 235 L C . 26855 1 672 . 1 1 254 254 LEU CA C 13 55.501 0.020 . 1 . . . . 235 L CA . 26855 1 673 . 1 1 254 254 LEU CB C 13 42.115 0.020 . 1 . . . . 235 L CB . 26855 1 674 . 1 1 254 254 LEU N N 15 123.583 0.005 . 1 . . . . 235 L N . 26855 1 675 . 1 1 255 255 GLY H H 1 8.523 0.002 . 1 . . . . 236 G H . 26855 1 676 . 1 1 255 255 GLY HA2 H 1 3.912 0.002 . 1 . . . . 236 G QA . 26855 1 677 . 1 1 255 255 GLY HA3 H 1 3.912 0.002 . 1 . . . . 236 G QA . 26855 1 678 . 1 1 255 255 GLY C C 13 174.209 0.020 . 1 . . . . 236 G C . 26855 1 679 . 1 1 255 255 GLY CA C 13 45.486 0.020 . 1 . . . . 236 G CA . 26855 1 680 . 1 1 255 255 GLY N N 15 109.131 0.006 . 1 . . . . 236 G N . 26855 1 681 . 1 1 256 256 GLN H H 1 8.213 0.002 . 1 . . . . 237 Q H . 26855 1 682 . 1 1 256 256 GLN HA H 1 4.405 0.002 . 1 . . . . 237 Q HA . 26855 1 683 . 1 1 256 256 GLN HB2 H 1 2.106 0.002 . 2 . . . . 237 Q HB . 26855 1 684 . 1 1 256 256 GLN HB3 H 1 2.106 0.002 . 2 . . . . 237 Q HB . 26855 1 685 . 1 1 256 256 GLN C C 13 176.202 0.020 . 1 . . . . 237 Q C . 26855 1 686 . 1 1 256 256 GLN CA C 13 55.788 0.020 . 1 . . . . 237 Q CA . 26855 1 687 . 1 1 256 256 GLN CB C 13 29.581 0.020 . 1 . . . . 237 Q CB . 26855 1 688 . 1 1 256 256 GLN N N 15 119.778 0.013 . 1 . . . . 237 Q N . 26855 1 689 . 1 1 257 257 THR H H 1 8.296 0.001 . 1 . . . . 238 T H . 26855 1 690 . 1 1 257 257 THR HA H 1 4.342 0.002 . 1 . . . . 238 T HA . 26855 1 691 . 1 1 257 257 THR HB H 1 4.190 0.002 . 1 . . . . 238 T HB . 26855 1 692 . 1 1 257 257 THR C C 13 174.202 0.020 . 1 . . . . 238 T C . 26855 1 693 . 1 1 257 257 THR CA C 13 61.932 0.020 . 1 . . . . 238 T CA . 26855 1 694 . 1 1 257 257 THR CB C 13 69.916 0.020 . 1 . . . . 238 T CB . 26855 1 695 . 1 1 257 257 THR N N 15 115.561 0.012 . 1 . . . . 238 T N . 26855 1 696 . 1 1 258 258 ASN H H 1 8.602 0.002 . 1 . . . . 239 N H . 26855 1 697 . 1 1 258 258 ASN HA H 1 4.818 0.002 . 1 . . . . 239 N HA . 26855 1 698 . 1 1 258 258 ASN HB2 H 1 2.798 0.002 . 2 . . . . 239 N QB . 26855 1 699 . 1 1 258 258 ASN HB3 H 1 2.798 0.002 . 2 . . . . 239 N QB . 26855 1 700 . 1 1 258 258 ASN C C 13 175.452 0.020 . 1 . . . . 239 N C . 26855 1 701 . 1 1 258 258 ASN CA C 13 53.184 0.020 . 1 . . . . 239 N CA . 26855 1 702 . 1 1 258 258 ASN CB C 13 39.012 0.020 . 1 . . . . 239 N CB . 26855 1 703 . 1 1 258 258 ASN N N 15 121.617 0.014 . 1 . . . . 239 N N . 26855 1 704 . 1 1 259 259 THR H H 1 8.284 0.002 . 1 . . . . 240 T H . 26855 1 705 . 1 1 259 259 THR HA H 1 4.316 0.002 . 1 . . . . 240 T HA . 26855 1 706 . 1 1 259 259 THR HB H 1 4.255 0.002 . 1 . . . . 240 T HB . 26855 1 707 . 1 1 259 259 THR C C 13 174.782 0.020 . 1 . . . . 240 T C . 26855 1 708 . 1 1 259 259 THR CA C 13 62.113 0.020 . 1 . . . . 240 T CA . 26855 1 709 . 1 1 259 259 THR CB C 13 69.625 0.020 . 1 . . . . 240 T CB . 26855 1 710 . 1 1 259 259 THR N N 15 114.842 0.011 . 1 . . . . 240 T N . 26855 1 711 . 1 1 260 260 GLU H H 1 8.496 0.002 . 1 . . . . 241 E H . 26855 1 712 . 1 1 260 260 GLU HA H 1 4.289 0.002 . 1 . . . . 241 E HA . 26855 1 713 . 1 1 260 260 GLU HB2 H 1 1.918 0.002 . 2 . . . . 241 E HB . 26855 1 714 . 1 1 260 260 GLU HB3 H 1 1.918 0.002 . 2 . . . . 241 E HB . 26855 1 715 . 1 1 260 260 GLU C C 13 176.277 0.020 . 1 . . . . 241 E C . 26855 1 716 . 1 1 260 260 GLU CA C 13 56.717 0.020 . 1 . . . . 241 E CA . 26855 1 717 . 1 1 260 260 GLU CB C 13 30.177 0.020 . 1 . . . . 241 E CB . 26855 1 718 . 1 1 260 260 GLU N N 15 122.589 0.010 . 1 . . . . 241 E N . 26855 1 719 . 1 1 261 261 ASP H H 1 8.306 0.002 . 1 . . . . 242 D H . 26855 1 720 . 1 1 261 261 ASP HA H 1 4.570 0.002 . 1 . . . . 242 D HA . 26855 1 721 . 1 1 261 261 ASP HB2 H 1 2.563 0.002 . 2 . . . . 242 D HB . 26855 1 722 . 1 1 261 261 ASP HB3 H 1 2.563 0.002 . 2 . . . . 242 D HB . 26855 1 723 . 1 1 261 261 ASP C C 13 176.174 0.020 . 1 . . . . 242 D C . 26855 1 724 . 1 1 261 261 ASP CA C 13 54.635 0.020 . 1 . . . . 242 D CA . 26855 1 725 . 1 1 261 261 ASP CB C 13 41.227 0.020 . 1 . . . . 242 D CB . 26855 1 726 . 1 1 261 261 ASP N N 15 121.089 0.023 . 1 . . . . 242 D N . 26855 1 727 . 1 1 262 262 GLU H H 1 8.286 0.002 . 1 . . . . 243 E H . 26855 1 728 . 1 1 262 262 GLU HA H 1 4.258 0.002 . 1 . . . . 243 E HA . 26855 1 729 . 1 1 262 262 GLU HB2 H 1 1.900 0.002 . 2 . . . . 243 E HB . 26855 1 730 . 1 1 262 262 GLU HB3 H 1 1.900 0.002 . 2 . . . . 243 E HB . 26855 1 731 . 1 1 262 262 GLU C C 13 176.100 0.020 . 1 . . . . 243 E C . 26855 1 732 . 1 1 262 262 GLU CA C 13 56.665 0.020 . 1 . . . . 243 E CA . 26855 1 733 . 1 1 262 262 GLU CB C 13 30.679 0.020 . 1 . . . . 243 E CB . 26855 1 734 . 1 1 262 262 GLU N N 15 120.872 0.014 . 1 . . . . 243 E N . 26855 1 735 . 1 1 263 263 ASP H H 1 8.455 0.001 . 1 . . . . 244 D H . 26855 1 736 . 1 1 263 263 ASP HA H 1 4.627 0.002 . 1 . . . . 244 D HA . 26855 1 737 . 1 1 263 263 ASP HB2 H 1 2.562 0.002 . 2 . . . . 244 D HB . 26855 1 738 . 1 1 263 263 ASP HB3 H 1 2.562 0.002 . 2 . . . . 244 D HB . 26855 1 739 . 1 1 263 263 ASP C C 13 175.866 0.020 . 1 . . . . 244 D C . 26855 1 740 . 1 1 263 263 ASP CA C 13 54.379 0.020 . 1 . . . . 244 D CA . 26855 1 741 . 1 1 263 263 ASP CB C 13 41.013 0.020 . 1 . . . . 244 D CB . 26855 1 742 . 1 1 263 263 ASP N N 15 121.892 0.005 . 1 . . . . 244 D N . 26855 1 743 . 1 1 264 264 ILE H H 1 8.030 0.002 . 1 . . . . 245 I H . 26855 1 744 . 1 1 264 264 ILE HA H 1 4.191 0.002 . 1 . . . . 245 I HA . 26855 1 745 . 1 1 264 264 ILE HB H 1 1.863 0.002 . 1 . . . . 245 I HB . 26855 1 746 . 1 1 264 264 ILE C C 13 175.481 0.020 . 1 . . . . 245 I C . 26855 1 747 . 1 1 264 264 ILE CA C 13 61.121 0.020 . 1 . . . . 245 I CA . 26855 1 748 . 1 1 264 264 ILE CB C 13 39.080 0.020 . 1 . . . . 245 I CB . 26855 1 749 . 1 1 264 264 ILE N N 15 120.748 0.009 . 1 . . . . 245 I N . 26855 1 750 . 1 1 265 265 GLU H H 1 8.025 0.001 . 1 . . . . 246 E H . 26855 1 751 . 1 1 265 265 GLU C C 13 181.138 0.020 . 1 . . . . 246 E C . 26855 1 752 . 1 1 265 265 GLU CA C 13 58.224 0.020 . 1 . . . . 246 E CA . 26855 1 753 . 1 1 265 265 GLU CB C 13 31.172 0.020 . 1 . . . . 246 E CB . 26855 1 754 . 1 1 265 265 GLU N N 15 129.740 0.011 . 1 . . . . 246 E N . 26855 1 stop_ save_