################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 53758 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name SplB-4 _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 $chem_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 '3D CBCACONH' . . . 53758 1 2 '3D HNCACB' . . . 53758 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . 53758 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_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.Ambiguity_set_ID _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 5 5 GLU CA C 13 56.318 0.092 . . . . . . . 1 E CA . 53758 1 2 . 1 . 1 5 5 GLU CB C 13 30.403 0.007 . . . . . . . 1 E CB . 53758 1 3 . 1 . 1 5 5 GLU N N 15 120.411 0.023 . . . . . . . 1 E N . 53758 1 4 . 1 . 1 6 6 ASN H H 1 8.389 0.003 . . . . . . . 2 N HN . 53758 1 5 . 1 . 1 6 6 ASN CA C 13 53.142 0.006 . . . . . . . 2 N CA . 53758 1 6 . 1 . 1 6 6 ASN CB C 13 39.130 0.018 . . . . . . . 2 N CB . 53758 1 7 . 1 . 1 6 6 ASN N N 15 120.122 0.006 . . . . . . . 2 N N . 53758 1 8 . 1 . 1 7 7 ASN H H 1 8.462 0.001 . . . . . . . 3 N HN . 53758 1 9 . 1 . 1 7 7 ASN CA C 13 53.608 0.051 . . . . . . . 3 N CA . 53758 1 10 . 1 . 1 7 7 ASN CB C 13 39.486 0.081 . . . . . . . 3 N CB . 53758 1 11 . 1 . 1 7 7 ASN N N 15 118.926 0.016 . . . . . . . 3 N N . 53758 1 12 . 1 . 1 8 8 VAL H H 1 7.945 0.003 . . . . . . . 4 V HN . 53758 1 13 . 1 . 1 8 8 VAL CA C 13 61.984 0.028 . . . . . . . 4 V CA . 53758 1 14 . 1 . 1 8 8 VAL CB C 13 33.789 0.108 . . . . . . . 4 V CB . 53758 1 15 . 1 . 1 8 8 VAL N N 15 120.538 0.034 . . . . . . . 4 V N . 53758 1 16 . 1 . 1 9 9 THR H H 1 9.015 0.008 . . . . . . . 5 T HN . 53758 1 17 . 1 . 1 9 9 THR CA C 13 60.797 0.044 . . . . . . . 5 T CA . 53758 1 18 . 1 . 1 9 9 THR CB C 13 71.713 0.009 . . . . . . . 5 T CB . 53758 1 19 . 1 . 1 9 9 THR N N 15 121.380 0.032 . . . . . . . 5 T N . 53758 1 20 . 1 . 1 10 10 LYS H H 1 8.680 0.008 . . . . . . . 6 K HN . 53758 1 21 . 1 . 1 10 10 LYS CA C 13 56.487 0.070 . . . . . . . 6 K CA . 53758 1 22 . 1 . 1 10 10 LYS N N 15 127.767 0.019 . . . . . . . 6 K N . 53758 1 23 . 1 . 1 11 11 VAL H H 1 8.268 0.005 . . . . . . . 7 V HN . 53758 1 24 . 1 . 1 11 11 VAL CA C 13 62.937 0.030 . . . . . . . 7 V CA . 53758 1 25 . 1 . 1 11 11 VAL CB C 13 31.106 0.000 . . . . . . . 7 V CB . 53758 1 26 . 1 . 1 11 11 VAL N N 15 129.414 0.014 . . . . . . . 7 V N . 53758 1 27 . 1 . 1 12 12 LYS H H 1 8.370 0.006 . . . . . . . 8 K HN . 53758 1 28 . 1 . 1 12 12 LYS CA C 13 58.302 0.010 . . . . . . . 8 K CA . 53758 1 29 . 1 . 1 12 12 LYS CB C 13 33.257 0.000 . . . . . . . 8 K CB . 53758 1 30 . 1 . 1 12 12 LYS N N 15 126.702 0.020 . . . . . . . 8 K N . 53758 1 31 . 1 . 1 13 13 ASP H H 1 7.393 0.002 . . . . . . . 9 D HN . 53758 1 32 . 1 . 1 13 13 ASP CA C 13 52.939 0.012 . . . . . . . 9 D CA . 53758 1 33 . 1 . 1 13 13 ASP CB C 13 42.378 0.050 . . . . . . . 9 D CB . 53758 1 34 . 1 . 1 13 13 ASP N N 15 118.227 0.003 . . . . . . . 9 D N . 53758 1 35 . 1 . 1 14 14 THR H H 1 8.222 0.005 . . . . . . . 10 T HN . 53758 1 36 . 1 . 1 14 14 THR CA C 13 61.211 0.067 . . . . . . . 10 T CA . 53758 1 37 . 1 . 1 14 14 THR CB C 13 67.717 0.136 . . . . . . . 10 T CB . 53758 1 38 . 1 . 1 14 14 THR N N 15 113.349 0.035 . . . . . . . 10 T N . 53758 1 39 . 1 . 1 15 15 ASN H H 1 8.305 0.004 . . . . . . . 11 N HN . 53758 1 40 . 1 . 1 15 15 ASN CA C 13 52.940 0.040 . . . . . . . 11 N CA . 53758 1 41 . 1 . 1 15 15 ASN CB C 13 38.860 0.029 . . . . . . . 11 N CB . 53758 1 42 . 1 . 1 15 15 ASN N N 15 115.554 0.016 . . . . . . . 11 N N . 53758 1 43 . 1 . 1 16 16 ILE H H 1 6.775 0.001 . . . . . . . 12 I HN . 53758 1 44 . 1 . 1 16 16 ILE CA C 13 58.446 0.071 . . . . . . . 12 I CA . 53758 1 45 . 1 . 1 16 16 ILE CB C 13 41.475 0.067 . . . . . . . 12 I CB . 53758 1 46 . 1 . 1 16 16 ILE N N 15 112.797 0.017 . . . . . . . 12 I N . 53758 1 47 . 1 . 1 17 17 PHE H H 1 8.675 0.003 . . . . . . . 13 F HN . 53758 1 48 . 1 . 1 17 17 PHE CA C 13 58.057 0.000 . . . . . . . 13 F CA . 53758 1 49 . 1 . 1 17 17 PHE CB C 13 39.876 0.000 . . . . . . . 13 F CB . 53758 1 50 . 1 . 1 17 17 PHE N N 15 126.984 0.023 . . . . . . . 13 F N . 53758 1 51 . 1 . 1 18 18 PRO CA C 13 62.418 0.026 . . . . . . . 14 P CA . 53758 1 52 . 1 . 1 18 18 PRO CB C 13 35.168 0.015 . . . . . . . 14 P CB . 53758 1 53 . 1 . 1 19 19 TYR H H 1 7.340 0.002 . . . . . . . 15 Y HN . 53758 1 54 . 1 . 1 19 19 TYR CA C 13 60.346 0.018 . . . . . . . 15 Y CA . 53758 1 55 . 1 . 1 19 19 TYR CB C 13 36.344 0.023 . . . . . . . 15 Y CB . 53758 1 56 . 1 . 1 19 19 TYR N N 15 128.712 0.017 . . . . . . . 15 Y N . 53758 1 57 . 1 . 1 20 20 THR H H 1 7.038 0.002 . . . . . . . 16 T HN . 53758 1 58 . 1 . 1 20 20 THR CA C 13 62.338 0.012 . . . . . . . 16 T CA . 53758 1 59 . 1 . 1 20 20 THR CB C 13 68.201 0.029 . . . . . . . 16 T CB . 53758 1 60 . 1 . 1 20 20 THR N N 15 103.691 0.028 . . . . . . . 16 T N . 53758 1 61 . 1 . 1 21 21 GLY H H 1 7.877 0.001 . . . . . . . 17 G HN . 53758 1 62 . 1 . 1 21 21 GLY CA C 13 45.711 0.013 . . . . . . . 17 G CA . 53758 1 63 . 1 . 1 21 21 GLY N N 15 108.458 0.013 . . . . . . . 17 G N . 53758 1 64 . 1 . 1 22 22 VAL H H 1 7.870 0.004 . . . . . . . 18 V HN . 53758 1 65 . 1 . 1 22 22 VAL CA C 13 62.841 0.042 . . . . . . . 18 V CA . 53758 1 66 . 1 . 1 22 22 VAL CB C 13 33.487 0.000 . . . . . . . 18 V CB . 53758 1 67 . 1 . 1 22 22 VAL N N 15 118.770 0.012 . . . . . . . 18 V N . 53758 1 68 . 1 . 1 23 23 VAL H H 1 9.057 0.004 . . . . . . . 19 V HN . 53758 1 69 . 1 . 1 23 23 VAL CA C 13 59.095 0.037 . . . . . . . 19 V CA . 53758 1 70 . 1 . 1 23 23 VAL CB C 13 33.767 0.250 . . . . . . . 19 V CB . 53758 1 71 . 1 . 1 23 23 VAL N N 15 118.756 0.020 . . . . . . . 19 V N . 53758 1 72 . 1 . 1 24 24 ALA H H 1 8.787 0.004 . . . . . . . 20 A HN . 53758 1 73 . 1 . 1 24 24 ALA CA C 13 51.210 0.055 . . . . . . . 20 A CA . 53758 1 74 . 1 . 1 24 24 ALA CB C 13 22.670 0.014 . . . . . . . 20 A CB . 53758 1 75 . 1 . 1 24 24 ALA N N 15 121.294 0.017 . . . . . . . 20 A N . 53758 1 76 . 1 . 1 25 25 PHE H H 1 8.354 0.006 . . . . . . . 21 F HN . 53758 1 77 . 1 . 1 25 25 PHE CA C 13 56.766 0.000 . . . . . . . 21 F CA . 53758 1 78 . 1 . 1 25 25 PHE CB C 13 40.476 0.000 . . . . . . . 21 F CB . 53758 1 79 . 1 . 1 25 25 PHE N N 15 122.582 0.043 . . . . . . . 21 F N . 53758 1 80 . 1 . 1 27 27 SER CA C 13 56.738 0.000 . . . . . . . 23 S CA . 53758 1 81 . 1 . 1 27 27 SER CB C 13 64.759 0.000 . . . . . . . 23 S CB . 53758 1 82 . 1 . 1 28 28 ALA H H 1 7.435 0.006 . . . . . . . 24 A HN . 53758 1 83 . 1 . 1 28 28 ALA CA C 13 52.478 0.076 . . . . . . . 24 A CA . 53758 1 84 . 1 . 1 28 28 ALA CB C 13 22.356 0.051 . . . . . . . 24 A CB . 53758 1 85 . 1 . 1 28 28 ALA N N 15 121.325 0.028 . . . . . . . 24 A N . 53758 1 86 . 1 . 1 29 29 THR H H 1 8.728 0.003 . . . . . . . 25 T HN . 53758 1 87 . 1 . 1 29 29 THR CA C 13 63.803 0.027 . . . . . . . 25 T CA . 53758 1 88 . 1 . 1 29 29 THR CB C 13 72.804 0.074 . . . . . . . 25 T CB . 53758 1 89 . 1 . 1 29 29 THR N N 15 117.196 0.023 . . . . . . . 25 T N . 53758 1 90 . 1 . 1 30 30 GLY H H 1 8.627 0.001 . . . . . . . 26 G HN . 53758 1 91 . 1 . 1 30 30 GLY CA C 13 46.659 0.032 . . . . . . . 26 G CA . 53758 1 92 . 1 . 1 30 30 GLY N N 15 110.946 0.027 . . . . . . . 26 G N . 53758 1 93 . 1 . 1 31 31 PHE H H 1 8.691 0.002 . . . . . . . 27 F HN . 53758 1 94 . 1 . 1 31 31 PHE CA C 13 56.342 0.103 . . . . . . . 27 F CA . 53758 1 95 . 1 . 1 31 31 PHE CB C 13 41.038 0.025 . . . . . . . 27 F CB . 53758 1 96 . 1 . 1 31 31 PHE N N 15 113.244 0.032 . . . . . . . 27 F N . 53758 1 97 . 1 . 1 32 32 VAL H H 1 9.370 0.008 . . . . . . . 28 V HN . 53758 1 98 . 1 . 1 32 32 VAL CA C 13 63.958 0.058 . . . . . . . 28 V CA . 53758 1 99 . 1 . 1 32 32 VAL CB C 13 32.682 0.024 . . . . . . . 28 V CB . 53758 1 100 . 1 . 1 32 32 VAL N N 15 121.365 0.039 . . . . . . . 28 V N . 53758 1 101 . 1 . 1 33 33 VAL H H 1 8.344 0.004 . . . . . . . 29 V HN . 53758 1 102 . 1 . 1 33 33 VAL CA C 13 60.305 0.070 . . . . . . . 29 V CA . 53758 1 103 . 1 . 1 33 33 VAL CB C 13 33.806 0.028 . . . . . . . 29 V CB . 53758 1 104 . 1 . 1 33 33 VAL N N 15 115.065 0.022 . . . . . . . 29 V N . 53758 1 105 . 1 . 1 34 34 GLY H H 1 7.829 0.002 . . . . . . . 30 G HN . 53758 1 106 . 1 . 1 34 34 GLY CA C 13 45.079 0.030 . . . . . . . 30 G CA . 53758 1 107 . 1 . 1 34 34 GLY N N 15 108.282 0.021 . . . . . . . 30 G N . 53758 1 108 . 1 . 1 35 35 LYS H H 1 8.547 0.002 . . . . . . . 31 K HN . 53758 1 109 . 1 . 1 35 35 LYS CA C 13 58.070 0.064 . . . . . . . 31 K CA . 53758 1 110 . 1 . 1 35 35 LYS CB C 13 31.872 0.149 . . . . . . . 31 K CB . 53758 1 111 . 1 . 1 35 35 LYS N N 15 125.153 0.012 . . . . . . . 31 K N . 53758 1 112 . 1 . 1 36 36 ASN H H 1 9.191 0.006 . . . . . . . 32 N HN . 53758 1 113 . 1 . 1 36 36 ASN CA C 13 55.750 0.025 . . . . . . . 32 N CA . 53758 1 114 . 1 . 1 36 36 ASN CB C 13 38.719 0.061 . . . . . . . 32 N CB . 53758 1 115 . 1 . 1 36 36 ASN N N 15 123.764 0.040 . . . . . . . 32 N N . 53758 1 116 . 1 . 1 37 37 THR H H 1 8.097 0.003 . . . . . . . 33 T HN . 53758 1 117 . 1 . 1 37 37 THR CA C 13 64.864 0.004 . . . . . . . 33 T CA . 53758 1 118 . 1 . 1 37 37 THR CB C 13 71.495 0.000 . . . . . . . 33 T CB . 53758 1 119 . 1 . 1 37 37 THR N N 15 113.872 0.013 . . . . . . . 33 T N . 53758 1 120 . 1 . 1 38 38 ILE H H 1 9.654 0.004 . . . . . . . 34 I HN . 53758 1 121 . 1 . 1 38 38 ILE CA C 13 58.170 0.111 . . . . . . . 34 I CA . 53758 1 122 . 1 . 1 38 38 ILE CB C 13 43.475 0.097 . . . . . . . 34 I CB . 53758 1 123 . 1 . 1 38 38 ILE N N 15 127.598 0.013 . . . . . . . 34 I N . 53758 1 124 . 1 . 1 39 39 LEU H H 1 9.224 0.004 . . . . . . . 35 L HN . 53758 1 125 . 1 . 1 39 39 LEU CA C 13 52.229 0.058 . . . . . . . 35 L CA . 53758 1 126 . 1 . 1 39 39 LEU CB C 13 45.810 0.105 . . . . . . . 35 L CB . 53758 1 127 . 1 . 1 39 39 LEU N N 15 123.448 0.035 . . . . . . . 35 L N . 53758 1 128 . 1 . 1 40 40 THR H H 1 8.372 0.003 . . . . . . . 36 T HN . 53758 1 129 . 1 . 1 40 40 THR CA C 13 61.062 0.037 . . . . . . . 36 T CA . 53758 1 130 . 1 . 1 40 40 THR CB C 13 68.945 0.009 . . . . . . . 36 T CB . 53758 1 131 . 1 . 1 40 40 THR N N 15 113.686 0.024 . . . . . . . 36 T N . 53758 1 132 . 1 . 1 41 41 ASN H H 1 7.984 0.004 . . . . . . . 37 N HN . 53758 1 133 . 1 . 1 41 41 ASN CA C 13 52.833 0.079 . . . . . . . 37 N CA . 53758 1 134 . 1 . 1 41 41 ASN CB C 13 40.641 0.075 . . . . . . . 37 N CB . 53758 1 135 . 1 . 1 41 41 ASN N N 15 116.855 0.031 . . . . . . . 37 N N . 53758 1 136 . 1 . 1 42 42 LYS H H 1 7.753 0.006 . . . . . . . 38 K HN . 53758 1 137 . 1 . 1 42 42 LYS CA C 13 59.333 0.007 . . . . . . . 38 K CA . 53758 1 138 . 1 . 1 42 42 LYS CB C 13 32.265 0.097 . . . . . . . 38 K CB . 53758 1 139 . 1 . 1 42 42 LYS N N 15 126.654 0.039 . . . . . . . 38 K N . 53758 1 140 . 1 . 1 43 43 HIS H H 1 9.192 0.004 . . . . . . . 39 H HN . 53758 1 141 . 1 . 1 43 43 HIS CA C 13 58.826 0.001 . . . . . . . 39 H CA . 53758 1 142 . 1 . 1 43 43 HIS CB C 13 26.602 0.000 . . . . . . . 39 H CB . 53758 1 143 . 1 . 1 43 43 HIS N N 15 113.976 0.041 . . . . . . . 39 H N . 53758 1 144 . 1 . 1 44 44 VAL H H 1 6.414 0.004 . . . . . . . 40 V HN . 53758 1 145 . 1 . 1 44 44 VAL CA C 13 63.757 0.083 . . . . . . . 40 V CA . 53758 1 146 . 1 . 1 44 44 VAL CB C 13 32.410 0.070 . . . . . . . 40 V CB . 53758 1 147 . 1 . 1 44 44 VAL N N 15 118.662 0.011 . . . . . . . 40 V N . 53758 1 148 . 1 . 1 45 45 SER H H 1 8.183 0.004 . . . . . . . 41 S HN . 53758 1 149 . 1 . 1 45 45 SER CA C 13 61.810 0.090 . . . . . . . 41 S CA . 53758 1 150 . 1 . 1 45 45 SER CB C 13 63.022 0.003 . . . . . . . 41 S CB . 53758 1 151 . 1 . 1 45 45 SER N N 15 115.076 0.020 . . . . . . . 41 S N . 53758 1 152 . 1 . 1 46 46 LYS H H 1 7.724 0.004 . . . . . . . 42 K HN . 53758 1 153 . 1 . 1 46 46 LYS CA C 13 58.135 0.084 . . . . . . . 42 K CA . 53758 1 154 . 1 . 1 46 46 LYS CB C 13 31.896 0.056 . . . . . . . 42 K CB . 53758 1 155 . 1 . 1 46 46 LYS N N 15 119.831 0.009 . . . . . . . 42 K N . 53758 1 156 . 1 . 1 47 47 ASN H H 1 7.519 0.002 . . . . . . . 43 N HN . 53758 1 157 . 1 . 1 47 47 ASN CA C 13 53.291 0.027 . . . . . . . 43 N CA . 53758 1 158 . 1 . 1 47 47 ASN CB C 13 39.342 0.095 . . . . . . . 43 N CB . 53758 1 159 . 1 . 1 47 47 ASN N N 15 115.338 0.026 . . . . . . . 43 N N . 53758 1 160 . 1 . 1 48 48 TYR H H 1 7.916 0.005 . . . . . . . 44 Y HN . 53758 1 161 . 1 . 1 48 48 TYR CA C 13 57.625 0.046 . . . . . . . 44 Y CA . 53758 1 162 . 1 . 1 48 48 TYR CB C 13 42.108 0.008 . . . . . . . 44 Y CB . 53758 1 163 . 1 . 1 48 48 TYR N N 15 119.608 0.012 . . . . . . . 44 Y N . 53758 1 164 . 1 . 1 49 49 LYS H H 1 8.985 0.002 . . . . . . . 45 K HN . 53758 1 165 . 1 . 1 49 49 LYS CA C 13 53.778 0.014 . . . . . . . 45 K CA . 53758 1 166 . 1 . 1 49 49 LYS CB C 13 36.602 0.046 . . . . . . . 45 K CB . 53758 1 167 . 1 . 1 49 49 LYS N N 15 117.739 0.036 . . . . . . . 45 K N . 53758 1 168 . 1 . 1 50 50 VAL H H 1 8.236 0.002 . . . . . . . 46 V HN . 53758 1 169 . 1 . 1 50 50 VAL CA C 13 65.543 0.085 . . . . . . . 46 V CA . 53758 1 170 . 1 . 1 50 50 VAL CB C 13 31.424 0.068 . . . . . . . 46 V CB . 53758 1 171 . 1 . 1 50 50 VAL N N 15 119.730 0.019 . . . . . . . 46 V N . 53758 1 172 . 1 . 1 51 51 GLY H H 1 8.997 0.002 . . . . . . . 47 G HN . 53758 1 173 . 1 . 1 51 51 GLY CA C 13 44.883 0.007 . . . . . . . 47 G CA . 53758 1 174 . 1 . 1 51 51 GLY N N 15 116.488 0.017 . . . . . . . 47 G N . 53758 1 175 . 1 . 1 52 52 ASP H H 1 8.171 0.006 . . . . . . . 48 D HN . 53758 1 176 . 1 . 1 52 52 ASP CA C 13 55.463 0.025 . . . . . . . 48 D CA . 53758 1 177 . 1 . 1 52 52 ASP CB C 13 41.877 0.059 . . . . . . . 48 D CB . 53758 1 178 . 1 . 1 52 52 ASP N N 15 121.358 0.018 . . . . . . . 48 D N . 53758 1 179 . 1 . 1 53 53 ARG H H 1 8.413 0.002 . . . . . . . 49 R HN . 53758 1 180 . 1 . 1 53 53 ARG CA C 13 55.756 0.020 . . . . . . . 49 R CA . 53758 1 181 . 1 . 1 53 53 ARG CB C 13 33.218 0.000 . . . . . . . 49 R CB . 53758 1 182 . 1 . 1 53 53 ARG N N 15 116.741 0.014 . . . . . . . 49 R N . 53758 1 183 . 1 . 1 54 54 ILE H H 1 8.862 0.004 . . . . . . . 50 I HN . 53758 1 184 . 1 . 1 54 54 ILE CA C 13 58.467 0.103 . . . . . . . 50 I CA . 53758 1 185 . 1 . 1 54 54 ILE CB C 13 42.106 0.054 . . . . . . . 50 I CB . 53758 1 186 . 1 . 1 54 54 ILE N N 15 113.842 0.022 . . . . . . . 50 I N . 53758 1 187 . 1 . 1 55 55 THR H H 1 7.855 0.005 . . . . . . . 51 T HN . 53758 1 188 . 1 . 1 55 55 THR CA C 13 61.074 0.021 . . . . . . . 51 T CA . 53758 1 189 . 1 . 1 55 55 THR CB C 13 70.107 0.021 . . . . . . . 51 T CB . 53758 1 190 . 1 . 1 55 55 THR N N 15 116.822 0.033 . . . . . . . 51 T N . 53758 1 191 . 1 . 1 56 56 ALA H H 1 8.847 0.004 . . . . . . . 52 A HN . 53758 1 192 . 1 . 1 56 56 ALA CA C 13 52.728 0.052 . . . . . . . 52 A CA . 53758 1 193 . 1 . 1 56 56 ALA CB C 13 19.297 0.078 . . . . . . . 52 A CB . 53758 1 194 . 1 . 1 56 56 ALA N N 15 129.883 0.022 . . . . . . . 52 A N . 53758 1 195 . 1 . 1 57 57 HIS H H 1 8.895 0.009 . . . . . . . 53 H HN . 53758 1 196 . 1 . 1 57 57 HIS CA C 13 56.150 0.000 . . . . . . . 53 H CA . 53758 1 197 . 1 . 1 57 57 HIS CB C 13 29.529 0.000 . . . . . . . 53 H CB . 53758 1 198 . 1 . 1 57 57 HIS N N 15 120.639 0.021 . . . . . . . 53 H N . 53758 1 199 . 1 . 1 58 58 PRO CA C 13 63.285 0.019 . . . . . . . 54 P CA . 53758 1 200 . 1 . 1 58 58 PRO CB C 13 32.685 0.000 . . . . . . . 54 P CB . 53758 1 201 . 1 . 1 59 59 ASN H H 1 8.030 0.001 . . . . . . . 55 N HN . 53758 1 202 . 1 . 1 59 59 ASN CA C 13 50.809 0.016 . . . . . . . 55 N CA . 53758 1 203 . 1 . 1 59 59 ASN CB C 13 39.531 0.000 . . . . . . . 55 N CB . 53758 1 204 . 1 . 1 59 59 ASN N N 15 115.762 0.045 . . . . . . . 55 N N . 53758 1 205 . 1 . 1 60 60 SER H H 1 8.936 0.007 . . . . . . . 56 S HN . 53758 1 206 . 1 . 1 60 60 SER CA C 13 59.041 0.000 . . . . . . . 56 S CA . 53758 1 207 . 1 . 1 60 60 SER N N 15 118.111 0.028 . . . . . . . 56 S N . 53758 1 208 . 1 . 1 61 61 ASP H H 1 8.853 0.000 . . . . . . . 57 D HN . 53758 1 209 . 1 . 1 61 61 ASP CA C 13 53.523 0.078 . . . . . . . 57 D CA . 53758 1 210 . 1 . 1 61 61 ASP CB C 13 40.149 0.000 . . . . . . . 57 D CB . 53758 1 211 . 1 . 1 61 61 ASP N N 15 123.057 0.000 . . . . . . . 57 D N . 53758 1 212 . 1 . 1 62 62 LYS H H 1 8.715 0.010 . . . . . . . 58 K HN . 53758 1 213 . 1 . 1 62 62 LYS CA C 13 56.688 0.039 . . . . . . . 58 K CA . 53758 1 214 . 1 . 1 62 62 LYS CB C 13 32.621 0.038 . . . . . . . 58 K CB . 53758 1 215 . 1 . 1 62 62 LYS N N 15 118.839 0.039 . . . . . . . 58 K N . 53758 1 216 . 1 . 1 63 63 GLY H H 1 7.882 0.005 . . . . . . . 59 G HN . 53758 1 217 . 1 . 1 63 63 GLY CA C 13 44.917 0.025 . . . . . . . 59 G CA . 53758 1 218 . 1 . 1 63 63 GLY N N 15 107.816 0.045 . . . . . . . 59 G N . 53758 1 219 . 1 . 1 64 64 ASN H H 1 8.399 0.002 . . . . . . . 60 N HN . 53758 1 220 . 1 . 1 64 64 ASN CA C 13 53.050 0.012 . . . . . . . 60 N CA . 53758 1 221 . 1 . 1 64 64 ASN CB C 13 40.418 0.047 . . . . . . . 60 N CB . 53758 1 222 . 1 . 1 64 64 ASN N N 15 114.551 0.025 . . . . . . . 60 N N . 53758 1 223 . 1 . 1 65 65 GLY H H 1 8.324 0.001 . . . . . . . 61 G HN . 53758 1 224 . 1 . 1 65 65 GLY CA C 13 45.857 0.002 . . . . . . . 61 G CA . 53758 1 225 . 1 . 1 65 65 GLY N N 15 102.282 0.021 . . . . . . . 61 G N . 53758 1 226 . 1 . 1 66 66 GLY H H 1 9.019 0.001 . . . . . . . 62 G HN . 53758 1 227 . 1 . 1 66 66 GLY CA C 13 43.310 0.022 . . . . . . . 62 G CA . 53758 1 228 . 1 . 1 66 66 GLY N N 15 112.891 0.009 . . . . . . . 62 G N . 53758 1 229 . 1 . 1 67 67 ILE H H 1 7.572 0.006 . . . . . . . 63 I HN . 53758 1 230 . 1 . 1 67 67 ILE CA C 13 60.197 0.085 . . . . . . . 63 I CA . 53758 1 231 . 1 . 1 67 67 ILE CB C 13 40.741 0.000 . . . . . . . 63 I CB . 53758 1 232 . 1 . 1 67 67 ILE N N 15 118.581 0.030 . . . . . . . 63 I N . 53758 1 233 . 1 . 1 68 68 TYR H H 1 8.819 0.011 . . . . . . . 64 Y HN . 53758 1 234 . 1 . 1 68 68 TYR CA C 13 56.937 0.000 . . . . . . . 64 Y CA . 53758 1 235 . 1 . 1 68 68 TYR CB C 13 41.931 0.000 . . . . . . . 64 Y CB . 53758 1 236 . 1 . 1 68 68 TYR N N 15 124.736 0.021 . . . . . . . 64 Y N . 53758 1 237 . 1 . 1 69 69 SER H H 1 9.568 0.000 . . . . . . . 65 S HN . 53758 1 238 . 1 . 1 69 69 SER CA C 13 56.550 0.077 . . . . . . . 65 S CA . 53758 1 239 . 1 . 1 69 69 SER CB C 13 65.216 0.085 . . . . . . . 65 S CB . 53758 1 240 . 1 . 1 69 69 SER N N 15 116.387 0.010 . . . . . . . 65 S N . 53758 1 241 . 1 . 1 70 70 ILE H H 1 9.051 0.004 . . . . . . . 66 I HN . 53758 1 242 . 1 . 1 70 70 ILE CA C 13 63.774 0.004 . . . . . . . 66 I CA . 53758 1 243 . 1 . 1 70 70 ILE CB C 13 39.109 0.000 . . . . . . . 66 I CB . 53758 1 244 . 1 . 1 70 70 ILE N N 15 123.756 0.029 . . . . . . . 66 I N . 53758 1 245 . 1 . 1 71 71 LYS H H 1 9.971 0.011 . . . . . . . 67 K HN . 53758 1 246 . 1 . 1 71 71 LYS CA C 13 55.965 0.092 . . . . . . . 67 K CA . 53758 1 247 . 1 . 1 71 71 LYS N N 15 129.073 0.003 . . . . . . . 67 K N . 53758 1 248 . 1 . 1 72 72 LYS H H 1 7.720 0.003 . . . . . . . 68 K HN . 53758 1 249 . 1 . 1 72 72 LYS CA C 13 57.603 0.030 . . . . . . . 68 K CA . 53758 1 250 . 1 . 1 72 72 LYS CB C 13 37.062 0.017 . . . . . . . 68 K CB . 53758 1 251 . 1 . 1 72 72 LYS N N 15 122.474 0.013 . . . . . . . 68 K N . 53758 1 252 . 1 . 1 73 73 ILE H H 1 8.629 0.004 . . . . . . . 69 I HN . 53758 1 253 . 1 . 1 73 73 ILE CA C 13 61.724 0.080 . . . . . . . 69 I CA . 53758 1 254 . 1 . 1 73 73 ILE CB C 13 40.762 0.022 . . . . . . . 69 I CB . 53758 1 255 . 1 . 1 73 73 ILE N N 15 125.723 0.019 . . . . . . . 69 I N . 53758 1 256 . 1 . 1 74 74 ILE H H 1 9.808 0.001 . . . . . . . 70 I HN . 53758 1 257 . 1 . 1 74 74 ILE CA C 13 60.855 0.000 . . . . . . . 70 I CA . 53758 1 258 . 1 . 1 74 74 ILE CB C 13 40.755 0.024 . . . . . . . 70 I CB . 53758 1 259 . 1 . 1 74 74 ILE N N 15 129.721 0.026 . . . . . . . 70 I N . 53758 1 260 . 1 . 1 75 75 ASN H H 1 9.158 0.001 . . . . . . . 71 N HN . 53758 1 261 . 1 . 1 75 75 ASN CA C 13 52.700 0.050 . . . . . . . 71 N CA . 53758 1 262 . 1 . 1 75 75 ASN CB C 13 39.438 0.000 . . . . . . . 71 N CB . 53758 1 263 . 1 . 1 75 75 ASN N N 15 126.228 0.015 . . . . . . . 71 N N . 53758 1 264 . 1 . 1 76 76 TYR H H 1 8.021 0.007 . . . . . . . 72 Y HN . 53758 1 265 . 1 . 1 76 76 TYR CA C 13 55.230 0.000 . . . . . . . 72 Y CA . 53758 1 266 . 1 . 1 76 76 TYR CB C 13 39.643 0.000 . . . . . . . 72 Y CB . 53758 1 267 . 1 . 1 76 76 TYR N N 15 124.429 0.017 . . . . . . . 72 Y N . 53758 1 268 . 1 . 1 78 78 GLY CA C 13 44.226 0.028 . . . . . . . 74 G CA . 53758 1 269 . 1 . 1 79 79 LYS H H 1 8.326 0.002 . . . . . . . 75 K HN . 53758 1 270 . 1 . 1 79 79 LYS CA C 13 58.243 0.005 . . . . . . . 75 K CA . 53758 1 271 . 1 . 1 79 79 LYS CB C 13 32.599 0.000 . . . . . . . 75 K CB . 53758 1 272 . 1 . 1 79 79 LYS N N 15 116.856 0.021 . . . . . . . 75 K N . 53758 1 273 . 1 . 1 80 80 GLU H H 1 9.798 0.000 . . . . . . . 76 E HN . 53758 1 274 . 1 . 1 80 80 GLU CA C 13 59.745 0.088 . . . . . . . 76 E CA . 53758 1 275 . 1 . 1 80 80 GLU CB C 13 28.896 0.040 . . . . . . . 76 E CB . 53758 1 276 . 1 . 1 80 80 GLU N N 15 120.670 0.006 . . . . . . . 76 E N . 53758 1 277 . 1 . 1 81 81 ASP H H 1 7.717 0.004 . . . . . . . 77 D HN . 53758 1 278 . 1 . 1 81 81 ASP CA C 13 53.809 0.041 . . . . . . . 77 D CA . 53758 1 279 . 1 . 1 81 81 ASP CB C 13 38.577 0.043 . . . . . . . 77 D CB . 53758 1 280 . 1 . 1 81 81 ASP N N 15 121.156 0.015 . . . . . . . 77 D N . 53758 1 281 . 1 . 1 82 82 VAL H H 1 8.226 0.002 . . . . . . . 78 V HN . 53758 1 282 . 1 . 1 82 82 VAL CA C 13 61.676 0.005 . . . . . . . 78 V CA . 53758 1 283 . 1 . 1 82 82 VAL CB C 13 36.177 0.044 . . . . . . . 78 V CB . 53758 1 284 . 1 . 1 82 82 VAL N N 15 122.454 0.024 . . . . . . . 78 V N . 53758 1 285 . 1 . 1 83 83 SER H H 1 8.768 0.003 . . . . . . . 79 S HN . 53758 1 286 . 1 . 1 83 83 SER CA C 13 57.135 0.027 . . . . . . . 79 S CA . 53758 1 287 . 1 . 1 83 83 SER CB C 13 65.974 0.039 . . . . . . . 79 S CB . 53758 1 288 . 1 . 1 83 83 SER N N 15 121.913 0.023 . . . . . . . 79 S N . 53758 1 289 . 1 . 1 84 84 VAL H H 1 9.098 0.004 . . . . . . . 80 V HN . 53758 1 290 . 1 . 1 84 84 VAL CA C 13 61.313 0.005 . . . . . . . 80 V CA . 53758 1 291 . 1 . 1 84 84 VAL CB C 13 33.061 0.055 . . . . . . . 80 V CB . 53758 1 292 . 1 . 1 84 84 VAL N N 15 125.453 0.010 . . . . . . . 80 V N . 53758 1 293 . 1 . 1 85 85 ILE H H 1 9.479 0.006 . . . . . . . 81 I HN . 53758 1 294 . 1 . 1 85 85 ILE CA C 13 58.239 0.023 . . . . . . . 81 I CA . 53758 1 295 . 1 . 1 85 85 ILE CB C 13 40.447 0.074 . . . . . . . 81 I CB . 53758 1 296 . 1 . 1 85 85 ILE N N 15 127.539 0.026 . . . . . . . 81 I N . 53758 1 297 . 1 . 1 86 86 GLN H H 1 8.875 0.004 . . . . . . . 82 Q HN . 53758 1 298 . 1 . 1 86 86 GLN CA C 13 52.542 0.069 . . . . . . . 82 Q CA . 53758 1 299 . 1 . 1 86 86 GLN CB C 13 31.091 0.067 . . . . . . . 82 Q CB . 53758 1 300 . 1 . 1 86 86 GLN N N 15 123.123 0.006 . . . . . . . 82 Q N . 53758 1 301 . 1 . 1 87 87 VAL H H 1 8.490 0.005 . . . . . . . 83 V HN . 53758 1 302 . 1 . 1 87 87 VAL CA C 13 58.139 0.015 . . . . . . . 83 V CA . 53758 1 303 . 1 . 1 87 87 VAL CB C 13 33.827 0.014 . . . . . . . 83 V CB . 53758 1 304 . 1 . 1 87 87 VAL N N 15 116.238 0.020 . . . . . . . 83 V N . 53758 1 305 . 1 . 1 88 88 GLU H H 1 8.407 0.003 . . . . . . . 84 E HN . 53758 1 306 . 1 . 1 88 88 GLU CA C 13 56.060 0.045 . . . . . . . 84 E CA . 53758 1 307 . 1 . 1 88 88 GLU CB C 13 28.577 0.039 . . . . . . . 84 E CB . 53758 1 308 . 1 . 1 88 88 GLU N N 15 118.961 0.025 . . . . . . . 84 E N . 53758 1 309 . 1 . 1 89 89 GLU H H 1 8.270 0.003 . . . . . . . 85 E HN . 53758 1 310 . 1 . 1 89 89 GLU CA C 13 59.444 0.006 . . . . . . . 85 E CA . 53758 1 311 . 1 . 1 89 89 GLU CB C 13 31.880 0.000 . . . . . . . 85 E CB . 53758 1 312 . 1 . 1 89 89 GLU N N 15 128.088 0.022 . . . . . . . 85 E N . 53758 1 313 . 1 . 1 90 90 ARG H H 1 8.057 0.003 . . . . . . . 86 R HN . 53758 1 314 . 1 . 1 90 90 ARG CA C 13 55.605 0.021 . . . . . . . 86 R CA . 53758 1 315 . 1 . 1 90 90 ARG CB C 13 29.681 0.000 . . . . . . . 86 R CB . 53758 1 316 . 1 . 1 90 90 ARG N N 15 114.964 0.018 . . . . . . . 86 R N . 53758 1 317 . 1 . 1 91 91 ALA H H 1 10.061 0.002 . . . . . . . 87 A HN . 53758 1 318 . 1 . 1 91 91 ALA CA C 13 53.313 0.011 . . . . . . . 87 A CA . 53758 1 319 . 1 . 1 91 91 ALA CB C 13 19.940 0.064 . . . . . . . 87 A CB . 53758 1 320 . 1 . 1 91 91 ALA N N 15 132.330 0.008 . . . . . . . 87 A N . 53758 1 321 . 1 . 1 92 92 ILE H H 1 8.432 0.003 . . . . . . . 88 I HN . 53758 1 322 . 1 . 1 92 92 ILE CA C 13 62.318 0.022 . . . . . . . 88 I CA . 53758 1 323 . 1 . 1 92 92 ILE CB C 13 37.947 0.037 . . . . . . . 88 I CB . 53758 1 324 . 1 . 1 92 92 ILE N N 15 119.413 0.026 . . . . . . . 88 I N . 53758 1 325 . 1 . 1 93 93 GLU H H 1 6.802 0.000 . . . . . . . 89 E HN . 53758 1 326 . 1 . 1 93 93 GLU CA C 13 54.723 0.043 . . . . . . . 89 E CA . 53758 1 327 . 1 . 1 93 93 GLU CB C 13 32.248 0.084 . . . . . . . 89 E CB . 53758 1 328 . 1 . 1 93 93 GLU N N 15 116.549 0.032 . . . . . . . 89 E N . 53758 1 329 . 1 . 1 94 94 ARG H H 1 8.059 0.004 . . . . . . . 90 R HN . 53758 1 330 . 1 . 1 94 94 ARG CA C 13 56.300 0.105 . . . . . . . 90 R CA . 53758 1 331 . 1 . 1 94 94 ARG CB C 13 29.113 0.013 . . . . . . . 90 R CB . 53758 1 332 . 1 . 1 94 94 ARG N N 15 120.363 0.017 . . . . . . . 90 R N . 53758 1 333 . 1 . 1 95 95 GLY H H 1 7.110 0.005 . . . . . . . 91 G HN . 53758 1 334 . 1 . 1 95 95 GLY CA C 13 43.158 0.000 . . . . . . . 91 G CA . 53758 1 335 . 1 . 1 95 95 GLY N N 15 105.605 0.021 . . . . . . . 91 G N . 53758 1 336 . 1 . 1 96 96 PRO CA C 13 65.009 0.021 . . . . . . . 92 P CA . 53758 1 337 . 1 . 1 96 96 PRO CB C 13 32.449 0.052 . . . . . . . 92 P CB . 53758 1 338 . 1 . 1 97 97 LYS H H 1 7.747 0.008 . . . . . . . 93 K HN . 53758 1 339 . 1 . 1 97 97 LYS CA C 13 54.186 0.009 . . . . . . . 93 K CA . 53758 1 340 . 1 . 1 97 97 LYS CB C 13 30.765 0.000 . . . . . . . 93 K CB . 53758 1 341 . 1 . 1 97 97 LYS N N 15 112.422 0.014 . . . . . . . 93 K N . 53758 1 342 . 1 . 1 98 98 GLY H H 1 7.828 0.001 . . . . . . . 94 G HN . 53758 1 343 . 1 . 1 98 98 GLY CA C 13 44.323 0.046 . . . . . . . 94 G CA . 53758 1 344 . 1 . 1 98 98 GLY N N 15 107.068 0.006 . . . . . . . 94 G N . 53758 1 345 . 1 . 1 99 99 PHE H H 1 9.162 0.003 . . . . . . . 95 F HN . 53758 1 346 . 1 . 1 99 99 PHE CA C 13 61.127 0.011 . . . . . . . 95 F CA . 53758 1 347 . 1 . 1 99 99 PHE CB C 13 41.035 0.017 . . . . . . . 95 F CB . 53758 1 348 . 1 . 1 99 99 PHE N N 15 118.618 0.012 . . . . . . . 95 F N . 53758 1 349 . 1 . 1 100 100 ASN H H 1 8.721 0.003 . . . . . . . 96 N HN . 53758 1 350 . 1 . 1 100 100 ASN CA C 13 54.408 0.002 . . . . . . . 96 N CA . 53758 1 351 . 1 . 1 100 100 ASN CB C 13 39.887 0.000 . . . . . . . 96 N CB . 53758 1 352 . 1 . 1 100 100 ASN N N 15 119.346 0.020 . . . . . . . 96 N N . 53758 1 353 . 1 . 1 101 101 PHE H H 1 9.944 0.006 . . . . . . . 97 F HN . 53758 1 354 . 1 . 1 101 101 PHE CA C 13 61.590 0.081 . . . . . . . 97 F CA . 53758 1 355 . 1 . 1 101 101 PHE CB C 13 41.230 0.093 . . . . . . . 97 F CB . 53758 1 356 . 1 . 1 101 101 PHE N N 15 130.703 0.004 . . . . . . . 97 F N . 53758 1 357 . 1 . 1 102 102 ASN H H 1 8.411 0.001 . . . . . . . 98 N HN . 53758 1 358 . 1 . 1 102 102 ASN CA C 13 55.464 0.000 . . . . . . . 98 N CA . 53758 1 359 . 1 . 1 102 102 ASN CB C 13 38.802 0.000 . . . . . . . 98 N CB . 53758 1 360 . 1 . 1 102 102 ASN N N 15 109.667 0.021 . . . . . . . 98 N N . 53758 1 361 . 1 . 1 103 103 ASP H H 1 7.475 0.001 . . . . . . . 99 D HN . 53758 1 362 . 1 . 1 103 103 ASP CA C 13 55.458 0.032 . . . . . . . 99 D CA . 53758 1 363 . 1 . 1 103 103 ASP CB C 13 41.136 0.009 . . . . . . . 99 D CB . 53758 1 364 . 1 . 1 103 103 ASP N N 15 115.320 0.001 . . . . . . . 99 D N . 53758 1 365 . 1 . 1 104 104 ASN H H 1 7.511 0.001 . . . . . . . 100 N HN . 53758 1 366 . 1 . 1 104 104 ASN CA C 13 54.163 0.078 . . . . . . . 100 N CA . 53758 1 367 . 1 . 1 104 104 ASN CB C 13 44.026 0.051 . . . . . . . 100 N CB . 53758 1 368 . 1 . 1 104 104 ASN N N 15 116.049 0.028 . . . . . . . 100 N N . 53758 1 369 . 1 . 1 105 105 VAL H H 1 6.881 0.003 . . . . . . . 101 V HN . 53758 1 370 . 1 . 1 105 105 VAL CA C 13 58.558 0.034 . . . . . . . 101 V CA . 53758 1 371 . 1 . 1 105 105 VAL CB C 13 36.127 0.127 . . . . . . . 101 V CB . 53758 1 372 . 1 . 1 105 105 VAL N N 15 110.988 0.024 . . . . . . . 101 V N . 53758 1 373 . 1 . 1 106 106 THR H H 1 6.618 0.004 . . . . . . . 102 T HN . 53758 1 374 . 1 . 1 106 106 THR CA C 13 56.302 0.000 . . . . . . . 102 T CA . 53758 1 375 . 1 . 1 106 106 THR CB C 13 71.679 0.000 . . . . . . . 102 T CB . 53758 1 376 . 1 . 1 106 106 THR N N 15 109.108 0.053 . . . . . . . 102 T N . 53758 1 377 . 1 . 1 107 107 PRO CA C 13 60.864 0.005 . . . . . . . 103 P CA . 53758 1 378 . 1 . 1 107 107 PRO CB C 13 32.327 0.000 . . . . . . . 103 P CB . 53758 1 379 . 1 . 1 108 108 PHE H H 1 7.624 0.001 . . . . . . . 104 F HN . 53758 1 380 . 1 . 1 108 108 PHE CA C 13 57.415 0.009 . . . . . . . 104 F CA . 53758 1 381 . 1 . 1 108 108 PHE CB C 13 42.574 0.000 . . . . . . . 104 F CB . 53758 1 382 . 1 . 1 108 108 PHE N N 15 116.810 0.020 . . . . . . . 104 F N . 53758 1 383 . 1 . 1 109 109 LYS H H 1 9.322 0.001 . . . . . . . 105 K HN . 53758 1 384 . 1 . 1 109 109 LYS CA C 13 54.301 0.065 . . . . . . . 105 K CA . 53758 1 385 . 1 . 1 109 109 LYS CB C 13 34.472 0.011 . . . . . . . 105 K CB . 53758 1 386 . 1 . 1 109 109 LYS N N 15 121.559 0.023 . . . . . . . 105 K N . 53758 1 387 . 1 . 1 110 110 TYR H H 1 8.338 0.003 . . . . . . . 106 Y HN . 53758 1 388 . 1 . 1 110 110 TYR CA C 13 59.169 0.035 . . . . . . . 106 Y CA . 53758 1 389 . 1 . 1 110 110 TYR CB C 13 38.849 0.046 . . . . . . . 106 Y CB . 53758 1 390 . 1 . 1 110 110 TYR N N 15 119.139 0.046 . . . . . . . 106 Y N . 53758 1 391 . 1 . 1 111 111 ALA H H 1 8.733 0.003 . . . . . . . 107 A HN . 53758 1 392 . 1 . 1 111 111 ALA CA C 13 51.076 0.001 . . . . . . . 107 A CA . 53758 1 393 . 1 . 1 111 111 ALA CB C 13 21.691 0.010 . . . . . . . 107 A CB . 53758 1 394 . 1 . 1 111 111 ALA N N 15 124.004 0.012 . . . . . . . 107 A N . 53758 1 395 . 1 . 1 112 112 ALA H H 1 9.243 0.001 . . . . . . . 108 A HN . 53758 1 396 . 1 . 1 112 112 ALA CA C 13 53.927 0.008 . . . . . . . 108 A CA . 53758 1 397 . 1 . 1 112 112 ALA CB C 13 18.274 0.009 . . . . . . . 108 A CB . 53758 1 398 . 1 . 1 112 112 ALA N N 15 124.200 0.028 . . . . . . . 108 A N . 53758 1 399 . 1 . 1 113 113 GLY H H 1 7.218 0.002 . . . . . . . 109 G HN . 53758 1 400 . 1 . 1 113 113 GLY CA C 13 44.862 0.034 . . . . . . . 109 G CA . 53758 1 401 . 1 . 1 113 113 GLY N N 15 102.477 0.022 . . . . . . . 109 G N . 53758 1 402 . 1 . 1 114 114 ALA H H 1 8.007 0.003 . . . . . . . 110 A HN . 53758 1 403 . 1 . 1 114 114 ALA CA C 13 51.117 0.027 . . . . . . . 110 A CA . 53758 1 404 . 1 . 1 114 114 ALA CB C 13 22.935 0.026 . . . . . . . 110 A CB . 53758 1 405 . 1 . 1 114 114 ALA N N 15 119.506 0.034 . . . . . . . 110 A N . 53758 1 406 . 1 . 1 115 115 LYS H H 1 8.851 0.005 . . . . . . . 111 K HN . 53758 1 407 . 1 . 1 115 115 LYS CA C 13 54.050 0.000 . . . . . . . 111 K CA . 53758 1 408 . 1 . 1 115 115 LYS CB C 13 36.380 0.004 . . . . . . . 111 K CB . 53758 1 409 . 1 . 1 115 115 LYS N N 15 118.528 0.021 . . . . . . . 111 K N . 53758 1 410 . 1 . 1 116 116 ALA H H 1 8.548 0.001 . . . . . . . 112 A HN . 53758 1 411 . 1 . 1 116 116 ALA CA C 13 53.594 0.013 . . . . . . . 112 A CA . 53758 1 412 . 1 . 1 116 116 ALA CB C 13 17.701 0.063 . . . . . . . 112 A CB . 53758 1 413 . 1 . 1 116 116 ALA N N 15 122.113 0.010 . . . . . . . 112 A N . 53758 1 414 . 1 . 1 117 117 GLY H H 1 9.210 0.004 . . . . . . . 113 G HN . 53758 1 415 . 1 . 1 117 117 GLY CA C 13 44.935 0.025 . . . . . . . 113 G CA . 53758 1 416 . 1 . 1 117 117 GLY N N 15 111.836 0.033 . . . . . . . 113 G N . 53758 1 417 . 1 . 1 118 118 GLU H H 1 7.733 0.002 . . . . . . . 114 E HN . 53758 1 418 . 1 . 1 118 118 GLU CA C 13 56.079 0.076 . . . . . . . 114 E CA . 53758 1 419 . 1 . 1 118 118 GLU CB C 13 31.357 0.036 . . . . . . . 114 E CB . 53758 1 420 . 1 . 1 118 118 GLU N N 15 121.049 0.009 . . . . . . . 114 E N . 53758 1 421 . 1 . 1 119 119 ARG H H 1 8.679 0.002 . . . . . . . 115 R HN . 53758 1 422 . 1 . 1 119 119 ARG CA C 13 56.405 0.000 . . . . . . . 115 R CA . 53758 1 423 . 1 . 1 119 119 ARG CB C 13 30.881 0.000 . . . . . . . 115 R CB . 53758 1 424 . 1 . 1 119 119 ARG N N 15 122.741 0.011 . . . . . . . 115 R N . 53758 1 425 . 1 . 1 120 120 ILE H H 1 9.096 0.002 . . . . . . . 116 I HN . 53758 1 426 . 1 . 1 120 120 ILE CA C 13 56.744 0.022 . . . . . . . 116 I CA . 53758 1 427 . 1 . 1 120 120 ILE CB C 13 43.200 0.000 . . . . . . . 116 I CB . 53758 1 428 . 1 . 1 120 120 ILE N N 15 119.324 0.017 . . . . . . . 116 I N . 53758 1 429 . 1 . 1 121 121 LYS H H 1 9.029 0.032 . . . . . . . 117 K HN . 53758 1 430 . 1 . 1 121 121 LYS CA C 13 53.847 0.011 . . . . . . . 117 K CA . 53758 1 431 . 1 . 1 121 121 LYS CB C 13 35.653 0.042 . . . . . . . 117 K CB . 53758 1 432 . 1 . 1 121 121 LYS N N 15 118.202 0.554 . . . . . . . 117 K N . 53758 1 433 . 1 . 1 122 122 VAL H H 1 9.302 0.003 . . . . . . . 118 V HN . 53758 1 434 . 1 . 1 122 122 VAL CA C 13 61.242 0.032 . . . . . . . 118 V CA . 53758 1 435 . 1 . 1 122 122 VAL CB C 13 33.082 0.106 . . . . . . . 118 V CB . 53758 1 436 . 1 . 1 122 122 VAL N N 15 123.938 0.032 . . . . . . . 118 V N . 53758 1 437 . 1 . 1 123 123 ILE H H 1 6.984 0.002 . . . . . . . 119 I HN . 53758 1 438 . 1 . 1 123 123 ILE CA C 13 58.996 0.000 . . . . . . . 119 I CA . 53758 1 439 . 1 . 1 123 123 ILE CB C 13 40.818 0.000 . . . . . . . 119 I CB . 53758 1 440 . 1 . 1 123 123 ILE N N 15 125.265 0.033 . . . . . . . 119 I N . 53758 1 441 . 1 . 1 124 124 GLY CA C 13 46.966 0.047 . . . . . . . 120 G CA . 53758 1 442 . 1 . 1 125 125 TYR H H 1 7.605 0.006 . . . . . . . 121 Y HN . 53758 1 443 . 1 . 1 125 125 TYR CA C 13 55.901 0.000 . . . . . . . 121 Y CA . 53758 1 444 . 1 . 1 125 125 TYR N N 15 120.477 0.013 . . . . . . . 121 Y N . 53758 1 445 . 1 . 1 136 136 TYR CA C 13 56.736 0.011 . . . . . . . 132 Y CA . 53758 1 446 . 1 . 1 137 137 GLU H H 1 9.245 0.006 . . . . . . . 133 E HN . 53758 1 447 . 1 . 1 137 137 GLU CA C 13 54.629 0.069 . . . . . . . 133 E CA . 53758 1 448 . 1 . 1 137 137 GLU CB C 13 33.603 0.000 . . . . . . . 133 E CB . 53758 1 449 . 1 . 1 137 137 GLU N N 15 122.533 0.019 . . . . . . . 133 E N . 53758 1 450 . 1 . 1 138 138 SER H H 1 9.031 0.005 . . . . . . . 134 S HN . 53758 1 451 . 1 . 1 138 138 SER CA C 13 55.499 0.069 . . . . . . . 134 S CA . 53758 1 452 . 1 . 1 138 138 SER CB C 13 65.080 0.032 . . . . . . . 134 S CB . 53758 1 453 . 1 . 1 138 138 SER N N 15 122.784 0.048 . . . . . . . 134 S N . 53758 1 454 . 1 . 1 139 139 THR H H 1 8.708 0.005 . . . . . . . 135 T HN . 53758 1 455 . 1 . 1 139 139 THR CA C 13 59.280 0.003 . . . . . . . 135 T CA . 53758 1 456 . 1 . 1 139 139 THR CB C 13 72.454 0.077 . . . . . . . 135 T CB . 53758 1 457 . 1 . 1 139 139 THR N N 15 115.591 0.015 . . . . . . . 135 T N . 53758 1 458 . 1 . 1 140 140 GLY H H 1 8.086 0.004 . . . . . . . 136 G HN . 53758 1 459 . 1 . 1 140 140 GLY CA C 13 45.284 0.034 . . . . . . . 136 G CA . 53758 1 460 . 1 . 1 140 140 GLY N N 15 108.299 0.021 . . . . . . . 136 G N . 53758 1 461 . 1 . 1 141 141 PRO CA C 13 61.516 0.146 . . . . . . . 137 P CA . 53758 1 462 . 1 . 1 141 141 PRO CB C 13 32.348 0.041 . . . . . . . 137 P CB . 53758 1 463 . 1 . 1 142 142 VAL H H 1 8.739 0.002 . . . . . . . 138 V HN . 53758 1 464 . 1 . 1 142 142 VAL CA C 13 63.867 0.008 . . . . . . . 138 V CA . 53758 1 465 . 1 . 1 142 142 VAL N N 15 119.365 0.016 . . . . . . . 138 V N . 53758 1 466 . 1 . 1 143 143 MET H H 1 10.064 0.005 . . . . . . . 139 M HN . 53758 1 467 . 1 . 1 143 143 MET CA C 13 55.229 0.020 . . . . . . . 139 M CA . 53758 1 468 . 1 . 1 143 143 MET CB C 13 32.357 0.024 . . . . . . . 139 M CB . 53758 1 469 . 1 . 1 143 143 MET N N 15 129.106 0.002 . . . . . . . 139 M N . 53758 1 470 . 1 . 1 144 144 SER H H 1 7.641 0.002 . . . . . . . 140 S HN . 53758 1 471 . 1 . 1 144 144 SER CA C 13 57.930 0.106 . . . . . . . 140 S CA . 53758 1 472 . 1 . 1 144 144 SER CB C 13 64.228 0.016 . . . . . . . 140 S CB . 53758 1 473 . 1 . 1 144 144 SER N N 15 111.380 0.024 . . . . . . . 140 S N . 53758 1 474 . 1 . 1 145 145 VAL H H 1 8.296 0.002 . . . . . . . 141 V HN . 53758 1 475 . 1 . 1 145 145 VAL CA C 13 61.984 0.096 . . . . . . . 141 V CA . 53758 1 476 . 1 . 1 145 145 VAL CB C 13 34.187 0.014 . . . . . . . 141 V CB . 53758 1 477 . 1 . 1 145 145 VAL N N 15 121.949 0.024 . . . . . . . 141 V N . 53758 1 478 . 1 . 1 146 146 GLU H H 1 8.686 0.004 . . . . . . . 142 E HN . 53758 1 479 . 1 . 1 146 146 GLU CA C 13 55.540 0.000 . . . . . . . 142 E CA . 53758 1 480 . 1 . 1 146 146 GLU CB C 13 31.770 0.044 . . . . . . . 142 E CB . 53758 1 481 . 1 . 1 146 146 GLU N N 15 127.752 0.011 . . . . . . . 142 E N . 53758 1 482 . 1 . 1 147 147 GLY H H 1 9.109 0.003 . . . . . . . 143 G HN . 53758 1 483 . 1 . 1 147 147 GLY CA C 13 47.061 0.044 . . . . . . . 143 G CA . 53758 1 484 . 1 . 1 147 147 GLY N N 15 119.217 0.022 . . . . . . . 143 G N . 53758 1 485 . 1 . 1 148 148 SER H H 1 8.646 0.003 . . . . . . . 144 S HN . 53758 1 486 . 1 . 1 148 148 SER CA C 13 57.350 0.084 . . . . . . . 144 S CA . 53758 1 487 . 1 . 1 148 148 SER CB C 13 63.295 0.028 . . . . . . . 144 S CB . 53758 1 488 . 1 . 1 148 148 SER N N 15 118.594 0.047 . . . . . . . 144 S N . 53758 1 489 . 1 . 1 149 149 SER H H 1 8.714 0.002 . . . . . . . 145 S HN . 53758 1 490 . 1 . 1 149 149 SER CA C 13 57.305 0.039 . . . . . . . 145 S CA . 53758 1 491 . 1 . 1 149 149 SER CB C 13 64.223 0.010 . . . . . . . 145 S CB . 53758 1 492 . 1 . 1 149 149 SER N N 15 120.887 0.011 . . . . . . . 145 S N . 53758 1 493 . 1 . 1 150 150 ILE H H 1 8.303 0.005 . . . . . . . 146 I HN . 53758 1 494 . 1 . 1 150 150 ILE CA C 13 58.852 0.000 . . . . . . . 146 I CA . 53758 1 495 . 1 . 1 150 150 ILE CB C 13 41.278 0.020 . . . . . . . 146 I CB . 53758 1 496 . 1 . 1 150 150 ILE N N 15 125.276 0.031 . . . . . . . 146 I N . 53758 1 497 . 1 . 1 151 151 VAL H H 1 8.512 0.004 . . . . . . . 147 V HN . 53758 1 498 . 1 . 1 151 151 VAL CA C 13 60.090 0.109 . . . . . . . 147 V CA . 53758 1 499 . 1 . 1 151 151 VAL CB C 13 33.858 0.021 . . . . . . . 147 V CB . 53758 1 500 . 1 . 1 151 151 VAL N N 15 127.909 0.022 . . . . . . . 147 V N . 53758 1 501 . 1 . 1 152 152 TYR H H 1 8.109 0.006 . . . . . . . 148 Y HN . 53758 1 502 . 1 . 1 152 152 TYR CA C 13 53.911 0.013 . . . . . . . 148 Y CA . 53758 1 503 . 1 . 1 152 152 TYR CB C 13 40.972 0.041 . . . . . . . 148 Y CB . 53758 1 504 . 1 . 1 152 152 TYR N N 15 125.192 0.012 . . . . . . . 148 Y N . 53758 1 505 . 1 . 1 153 153 SER H H 1 8.235 0.005 . . . . . . . 149 S HN . 53758 1 506 . 1 . 1 153 153 SER CA C 13 55.384 0.077 . . . . . . . 149 S CA . 53758 1 507 . 1 . 1 153 153 SER CB C 13 62.635 0.037 . . . . . . . 149 S CB . 53758 1 508 . 1 . 1 153 153 SER N N 15 114.615 0.040 . . . . . . . 149 S N . 53758 1 509 . 1 . 1 154 154 ALA H H 1 7.108 0.002 . . . . . . . 150 A HN . 53758 1 510 . 1 . 1 154 154 ALA CA C 13 50.753 0.053 . . . . . . . 150 A CA . 53758 1 511 . 1 . 1 154 154 ALA CB C 13 20.618 0.116 . . . . . . . 150 A CB . 53758 1 512 . 1 . 1 154 154 ALA N N 15 123.272 0.017 . . . . . . . 150 A N . 53758 1 513 . 1 . 1 155 155 HIS H H 1 8.851 0.004 . . . . . . . 151 H HN . 53758 1 514 . 1 . 1 155 155 HIS CA C 13 57.520 0.066 . . . . . . . 151 H CA . 53758 1 515 . 1 . 1 155 155 HIS CB C 13 29.171 0.000 . . . . . . . 151 H CB . 53758 1 516 . 1 . 1 155 155 HIS N N 15 119.987 0.650 . . . . . . . 151 H N . 53758 1 517 . 1 . 1 156 156 THR H H 1 7.983 0.003 . . . . . . . 152 T HN . 53758 1 518 . 1 . 1 156 156 THR CA C 13 59.740 0.117 . . . . . . . 152 T CA . 53758 1 519 . 1 . 1 156 156 THR N N 15 119.178 0.000 . . . . . . . 152 T N . 53758 1 520 . 1 . 1 157 157 GLU H H 1 8.231 0.003 . . . . . . . 153 E HN . 53758 1 521 . 1 . 1 157 157 GLU CA C 13 54.133 0.000 . . . . . . . 153 E CA . 53758 1 522 . 1 . 1 157 157 GLU N N 15 117.121 0.009 . . . . . . . 153 E N . 53758 1 523 . 1 . 1 159 159 GLY CA C 13 46.728 0.005 . . . . . . . 155 G CA . 53758 1 524 . 1 . 1 160 160 ASN H H 1 8.098 0.009 . . . . . . . 156 N HN . 53758 1 525 . 1 . 1 160 160 ASN CA C 13 56.482 0.107 . . . . . . . 156 N CA . 53758 1 526 . 1 . 1 160 160 ASN CB C 13 40.270 0.094 . . . . . . . 156 N CB . 53758 1 527 . 1 . 1 160 160 ASN N N 15 111.003 0.047 . . . . . . . 156 N N . 53758 1 528 . 1 . 1 161 161 SER H H 1 8.381 0.002 . . . . . . . 157 S HN . 53758 1 529 . 1 . 1 161 161 SER CA C 13 63.648 0.041 . . . . . . . 157 S CA . 53758 1 530 . 1 . 1 161 161 SER N N 15 122.833 0.080 . . . . . . . 157 S N . 53758 1 531 . 1 . 1 162 162 GLY H H 1 8.323 0.002 . . . . . . . 158 G HN . 53758 1 532 . 1 . 1 162 162 GLY CA C 13 45.615 0.052 . . . . . . . 158 G CA . 53758 1 533 . 1 . 1 162 162 GLY N N 15 115.924 0.028 . . . . . . . 158 G N . 53758 1 534 . 1 . 1 163 163 SER H H 1 8.462 0.003 . . . . . . . 159 S HN . 53758 1 535 . 1 . 1 163 163 SER CA C 13 58.788 0.000 . . . . . . . 159 S CA . 53758 1 536 . 1 . 1 163 163 SER CB C 13 64.128 0.000 . . . . . . . 159 S CB . 53758 1 537 . 1 . 1 163 163 SER N N 15 113.174 0.063 . . . . . . . 159 S N . 53758 1 538 . 1 . 1 164 164 PRO CA C 13 63.281 0.029 . . . . . . . 160 P CA . 53758 1 539 . 1 . 1 164 164 PRO CB C 13 30.995 0.182 . . . . . . . 160 P CB . 53758 1 540 . 1 . 1 165 165 VAL H H 1 7.594 0.006 . . . . . . . 161 V HN . 53758 1 541 . 1 . 1 165 165 VAL CA C 13 61.049 0.000 . . . . . . . 161 V CA . 53758 1 542 . 1 . 1 165 165 VAL CB C 13 31.607 0.000 . . . . . . . 161 V CB . 53758 1 543 . 1 . 1 165 165 VAL N N 15 120.070 0.016 . . . . . . . 161 V N . 53758 1 544 . 1 . 1 166 166 LEU H H 1 9.153 0.005 . . . . . . . 162 L HN . 53758 1 545 . 1 . 1 166 166 LEU CA C 13 52.134 0.040 . . . . . . . 162 L CA . 53758 1 546 . 1 . 1 166 166 LEU CB C 13 45.806 0.041 . . . . . . . 162 L CB . 53758 1 547 . 1 . 1 166 166 LEU N N 15 126.306 0.014 . . . . . . . 162 L N . 53758 1 548 . 1 . 1 167 167 ASN H H 1 8.628 0.003 . . . . . . . 163 N HN . 53758 1 549 . 1 . 1 167 167 ASN CA C 13 50.583 0.062 . . . . . . . 163 N CA . 53758 1 550 . 1 . 1 167 167 ASN CB C 13 38.811 0.069 . . . . . . . 163 N CB . 53758 1 551 . 1 . 1 167 167 ASN N N 15 116.356 0.014 . . . . . . . 163 N N . 53758 1 552 . 1 . 1 168 168 SER H H 1 8.747 0.003 . . . . . . . 164 S HN . 53758 1 553 . 1 . 1 168 168 SER CA C 13 61.363 0.031 . . . . . . . 164 S CA . 53758 1 554 . 1 . 1 168 168 SER CB C 13 63.045 0.015 . . . . . . . 164 S CB . 53758 1 555 . 1 . 1 168 168 SER N N 15 112.707 0.024 . . . . . . . 164 S N . 53758 1 556 . 1 . 1 169 169 ASN H H 1 7.651 0.002 . . . . . . . 165 N HN . 53758 1 557 . 1 . 1 169 169 ASN CA C 13 52.399 0.066 . . . . . . . 165 N CA . 53758 1 558 . 1 . 1 169 169 ASN CB C 13 38.918 0.028 . . . . . . . 165 N CB . 53758 1 559 . 1 . 1 169 169 ASN N N 15 119.211 0.018 . . . . . . . 165 N N . 53758 1 560 . 1 . 1 170 170 ASN H H 1 8.319 0.002 . . . . . . . 166 N HN . 53758 1 561 . 1 . 1 170 170 ASN CA C 13 55.858 0.019 . . . . . . . 166 N CA . 53758 1 562 . 1 . 1 170 170 ASN CB C 13 36.595 0.028 . . . . . . . 166 N CB . 53758 1 563 . 1 . 1 170 170 ASN N N 15 111.449 0.020 . . . . . . . 166 N N . 53758 1 564 . 1 . 1 171 171 GLU H H 1 7.885 0.002 . . . . . . . 167 E HN . 53758 1 565 . 1 . 1 171 171 GLU CA C 13 53.955 0.010 . . . . . . . 167 E CA . 53758 1 566 . 1 . 1 171 171 GLU CB C 13 30.384 0.001 . . . . . . . 167 E CB . 53758 1 567 . 1 . 1 171 171 GLU N N 15 115.197 0.043 . . . . . . . 167 E N . 53758 1 568 . 1 . 1 172 172 LEU H H 1 9.251 0.005 . . . . . . . 168 L HN . 53758 1 569 . 1 . 1 172 172 LEU CA C 13 56.233 0.084 . . . . . . . 168 L CA . 53758 1 570 . 1 . 1 172 172 LEU CB C 13 45.187 0.133 . . . . . . . 168 L CB . 53758 1 571 . 1 . 1 172 172 LEU N N 15 121.310 0.028 . . . . . . . 168 L N . 53758 1 572 . 1 . 1 173 173 VAL H H 1 9.312 0.005 . . . . . . . 169 V HN . 53758 1 573 . 1 . 1 173 173 VAL CA C 13 61.753 0.062 . . . . . . . 169 V CA . 53758 1 574 . 1 . 1 173 173 VAL CB C 13 33.588 0.015 . . . . . . . 169 V CB . 53758 1 575 . 1 . 1 173 173 VAL N N 15 120.383 0.023 . . . . . . . 169 V N . 53758 1 576 . 1 . 1 174 174 GLY H H 1 7.803 0.006 . . . . . . . 170 G HN . 53758 1 577 . 1 . 1 174 174 GLY CA C 13 46.847 0.047 . . . . . . . 170 G CA . 53758 1 578 . 1 . 1 174 174 GLY N N 15 106.178 0.027 . . . . . . . 170 G N . 53758 1 579 . 1 . 1 175 175 ILE H H 1 8.319 0.001 . . . . . . . 171 I HN . 53758 1 580 . 1 . 1 175 175 ILE CA C 13 57.468 0.053 . . . . . . . 171 I CA . 53758 1 581 . 1 . 1 175 175 ILE CB C 13 41.361 0.000 . . . . . . . 171 I CB . 53758 1 582 . 1 . 1 175 175 ILE N N 15 115.112 0.035 . . . . . . . 171 I N . 53758 1 583 . 1 . 1 176 176 HIS H H 1 9.553 0.004 . . . . . . . 172 H HN . 53758 1 584 . 1 . 1 176 176 HIS CA C 13 59.176 0.036 . . . . . . . 172 H CA . 53758 1 585 . 1 . 1 176 176 HIS CB C 13 32.916 0.022 . . . . . . . 172 H CB . 53758 1 586 . 1 . 1 176 176 HIS N N 15 130.708 0.028 . . . . . . . 172 H N . 53758 1 587 . 1 . 1 177 177 PHE H H 1 9.029 0.007 . . . . . . . 173 F HN . 53758 1 588 . 1 . 1 177 177 PHE CA C 13 58.063 0.074 . . . . . . . 173 F CA . 53758 1 589 . 1 . 1 177 177 PHE CB C 13 44.047 0.071 . . . . . . . 173 F CB . 53758 1 590 . 1 . 1 177 177 PHE N N 15 124.075 0.028 . . . . . . . 173 F N . 53758 1 591 . 1 . 1 178 178 ALA H H 1 7.140 0.001 . . . . . . . 174 A HN . 53758 1 592 . 1 . 1 178 178 ALA CA C 13 52.185 0.035 . . . . . . . 174 A CA . 53758 1 593 . 1 . 1 178 178 ALA CB C 13 22.793 0.024 . . . . . . . 174 A CB . 53758 1 594 . 1 . 1 178 178 ALA N N 15 122.901 0.018 . . . . . . . 174 A N . 53758 1 595 . 1 . 1 179 179 SER H H 1 8.303 0.007 . . . . . . . 175 S HN . 53758 1 596 . 1 . 1 179 179 SER CA C 13 57.560 0.055 . . . . . . . 175 S CA . 53758 1 597 . 1 . 1 179 179 SER CB C 13 65.182 0.059 . . . . . . . 175 S CB . 53758 1 598 . 1 . 1 179 179 SER N N 15 113.654 0.022 . . . . . . . 175 S N . 53758 1 599 . 1 . 1 180 180 ASP H H 1 8.397 0.002 . . . . . . . 176 D HN . 53758 1 600 . 1 . 1 180 180 ASP CA C 13 54.441 0.086 . . . . . . . 176 D CA . 53758 1 601 . 1 . 1 180 180 ASP CB C 13 41.667 0.013 . . . . . . . 176 D CB . 53758 1 602 . 1 . 1 180 180 ASP N N 15 121.407 0.014 . . . . . . . 176 D N . 53758 1 603 . 1 . 1 181 181 VAL CA C 13 62.684 0.007 . . . . . . . 177 V CA . 53758 1 604 . 1 . 1 181 181 VAL CB C 13 32.146 0.000 . . . . . . . 177 V CB . 53758 1 605 . 1 . 1 182 182 LYS H H 1 8.193 0.003 . . . . . . . 178 K HN . 53758 1 606 . 1 . 1 182 182 LYS CA C 13 56.608 0.074 . . . . . . . 178 K CA . 53758 1 607 . 1 . 1 182 182 LYS CB C 13 32.805 0.059 . . . . . . . 178 K CB . 53758 1 608 . 1 . 1 182 182 LYS N N 15 122.825 0.010 . . . . . . . 178 K N . 53758 1 609 . 1 . 1 183 183 ASN H H 1 8.341 0.001 . . . . . . . 179 N HN . 53758 1 610 . 1 . 1 183 183 ASN CA C 13 53.579 0.017 . . . . . . . 179 N CA . 53758 1 611 . 1 . 1 183 183 ASN CB C 13 38.551 0.028 . . . . . . . 179 N CB . 53758 1 612 . 1 . 1 183 183 ASN N N 15 118.914 0.055 . . . . . . . 179 N N . 53758 1 613 . 1 . 1 184 184 ASP H H 1 8.173 0.003 . . . . . . . 180 D HN . 53758 1 614 . 1 . 1 184 184 ASP CA C 13 54.480 0.055 . . . . . . . 180 D CA . 53758 1 615 . 1 . 1 184 184 ASP CB C 13 41.455 0.000 . . . . . . . 180 D CB . 53758 1 616 . 1 . 1 184 184 ASP N N 15 120.090 0.009 . . . . . . . 180 D N . 53758 1 617 . 1 . 1 185 185 ASP H H 1 8.406 0.001 . . . . . . . 181 D HN . 53758 1 618 . 1 . 1 185 185 ASP CA C 13 55.129 0.012 . . . . . . . 181 D CA . 53758 1 619 . 1 . 1 185 185 ASP CB C 13 41.150 0.075 . . . . . . . 181 D CB . 53758 1 620 . 1 . 1 185 185 ASP N N 15 119.955 0.009 . . . . . . . 181 D N . 53758 1 621 . 1 . 1 186 186 ASN H H 1 8.267 0.001 . . . . . . . 182 N HN . 53758 1 622 . 1 . 1 186 186 ASN CA C 13 53.387 0.008 . . . . . . . 182 N CA . 53758 1 623 . 1 . 1 186 186 ASN CB C 13 38.821 0.000 . . . . . . . 182 N CB . 53758 1 624 . 1 . 1 186 186 ASN N N 15 117.625 0.017 . . . . . . . 182 N N . 53758 1 625 . 1 . 1 187 187 ARG H H 1 8.131 0.003 . . . . . . . 183 R HN . 53758 1 626 . 1 . 1 187 187 ARG CA C 13 55.961 0.058 . . . . . . . 183 R CA . 53758 1 627 . 1 . 1 187 187 ARG CB C 13 30.160 0.009 . . . . . . . 183 R CB . 53758 1 628 . 1 . 1 187 187 ARG N N 15 119.851 0.047 . . . . . . . 183 R N . 53758 1 629 . 1 . 1 188 188 ASN H H 1 8.276 0.003 . . . . . . . 184 N HN . 53758 1 630 . 1 . 1 188 188 ASN CA C 13 53.272 0.029 . . . . . . . 184 N CA . 53758 1 631 . 1 . 1 188 188 ASN CB C 13 39.717 0.049 . . . . . . . 184 N CB . 53758 1 632 . 1 . 1 188 188 ASN N N 15 119.178 0.023 . . . . . . . 184 N N . 53758 1 633 . 1 . 1 189 189 ALA H H 1 8.357 0.002 . . . . . . . 185 A HN . 53758 1 634 . 1 . 1 189 189 ALA CA C 13 50.661 0.092 . . . . . . . 185 A CA . 53758 1 635 . 1 . 1 189 189 ALA CB C 13 23.242 0.013 . . . . . . . 185 A CB . 53758 1 636 . 1 . 1 189 189 ALA N N 15 124.716 0.022 . . . . . . . 185 A N . 53758 1 637 . 1 . 1 190 190 TYR H H 1 8.181 0.004 . . . . . . . 186 Y HN . 53758 1 638 . 1 . 1 190 190 TYR CA C 13 57.220 0.039 . . . . . . . 186 Y CA . 53758 1 639 . 1 . 1 190 190 TYR CB C 13 40.686 0.087 . . . . . . . 186 Y CB . 53758 1 640 . 1 . 1 190 190 TYR N N 15 115.900 0.030 . . . . . . . 186 Y N . 53758 1 641 . 1 . 1 191 191 GLY H H 1 9.219 0.003 . . . . . . . 187 G HN . 53758 1 642 . 1 . 1 191 191 GLY CA C 13 44.809 0.023 . . . . . . . 187 G CA . 53758 1 643 . 1 . 1 191 191 GLY N N 15 109.315 0.041 . . . . . . . 187 G N . 53758 1 644 . 1 . 1 192 192 VAL H H 1 9.439 0.007 . . . . . . . 188 V HN . 53758 1 645 . 1 . 1 192 192 VAL CA C 13 60.813 0.006 . . . . . . . 188 V CA . 53758 1 646 . 1 . 1 192 192 VAL CB C 13 32.508 0.063 . . . . . . . 188 V CB . 53758 1 647 . 1 . 1 192 192 VAL N N 15 122.906 0.066 . . . . . . . 188 V N . 53758 1 648 . 1 . 1 193 193 TYR H H 1 8.423 0.002 . . . . . . . 189 Y HN . 53758 1 649 . 1 . 1 193 193 TYR CA C 13 56.082 0.001 . . . . . . . 189 Y CA . 53758 1 650 . 1 . 1 193 193 TYR CB C 13 40.401 0.059 . . . . . . . 189 Y CB . 53758 1 651 . 1 . 1 193 193 TYR N N 15 129.066 0.034 . . . . . . . 189 Y N . 53758 1 652 . 1 . 1 194 194 PHE H H 1 6.490 0.014 . . . . . . . 190 F HN . 53758 1 653 . 1 . 1 194 194 PHE CA C 13 59.374 0.000 . . . . . . . 190 F CA . 53758 1 654 . 1 . 1 194 194 PHE CB C 13 37.237 0.059 . . . . . . . 190 F CB . 53758 1 655 . 1 . 1 194 194 PHE N N 15 121.499 0.025 . . . . . . . 190 F N . 53758 1 656 . 1 . 1 195 195 THR H H 1 7.198 0.004 . . . . . . . 191 T HN . 53758 1 657 . 1 . 1 195 195 THR CA C 13 59.413 0.063 . . . . . . . 191 T CA . 53758 1 658 . 1 . 1 195 195 THR CB C 13 67.637 0.000 . . . . . . . 191 T CB . 53758 1 659 . 1 . 1 195 195 THR N N 15 117.424 0.028 . . . . . . . 191 T N . 53758 1 660 . 1 . 1 196 196 PRO CA C 13 66.568 0.020 . . . . . . . 192 P CA . 53758 1 661 . 1 . 1 196 196 PRO CB C 13 31.911 0.000 . . . . . . . 192 P CB . 53758 1 662 . 1 . 1 197 197 GLU H H 1 9.213 0.003 . . . . . . . 193 E HN . 53758 1 663 . 1 . 1 197 197 GLU CA C 13 60.193 0.054 . . . . . . . 193 E CA . 53758 1 664 . 1 . 1 197 197 GLU CB C 13 28.564 0.044 . . . . . . . 193 E CB . 53758 1 665 . 1 . 1 197 197 GLU N N 15 116.889 0.034 . . . . . . . 193 E N . 53758 1 666 . 1 . 1 198 198 ILE H H 1 7.275 0.006 . . . . . . . 194 I HN . 53758 1 667 . 1 . 1 198 198 ILE CA C 13 65.213 0.005 . . . . . . . 194 I CA . 53758 1 668 . 1 . 1 198 198 ILE CB C 13 38.384 0.000 . . . . . . . 194 I CB . 53758 1 669 . 1 . 1 198 198 ILE N N 15 122.120 0.037 . . . . . . . 194 I N . 53758 1 670 . 1 . 1 199 199 LYS H H 1 8.448 0.001 . . . . . . . 195 K HN . 53758 1 671 . 1 . 1 199 199 LYS CA C 13 60.869 0.010 . . . . . . . 195 K CA . 53758 1 672 . 1 . 1 199 199 LYS CB C 13 32.366 0.009 . . . . . . . 195 K CB . 53758 1 673 . 1 . 1 199 199 LYS N N 15 118.531 0.010 . . . . . . . 195 K N . 53758 1 674 . 1 . 1 200 200 LYS H H 1 8.185 0.001 . . . . . . . 196 K HN . 53758 1 675 . 1 . 1 200 200 LYS CA C 13 59.645 0.014 . . . . . . . 196 K CA . 53758 1 676 . 1 . 1 200 200 LYS CB C 13 32.728 0.066 . . . . . . . 196 K CB . 53758 1 677 . 1 . 1 200 200 LYS N N 15 121.087 0.022 . . . . . . . 196 K N . 53758 1 678 . 1 . 1 201 201 PHE H H 1 7.225 0.002 . . . . . . . 197 F HN . 53758 1 679 . 1 . 1 201 201 PHE CA C 13 60.809 0.003 . . . . . . . 197 F CA . 53758 1 680 . 1 . 1 201 201 PHE CB C 13 39.096 0.036 . . . . . . . 197 F CB . 53758 1 681 . 1 . 1 201 201 PHE N N 15 119.238 0.025 . . . . . . . 197 F N . 53758 1 682 . 1 . 1 202 202 ILE H H 1 8.254 0.002 . . . . . . . 198 I HN . 53758 1 683 . 1 . 1 202 202 ILE CA C 13 66.403 0.022 . . . . . . . 198 I CA . 53758 1 684 . 1 . 1 202 202 ILE CB C 13 38.213 0.173 . . . . . . . 198 I CB . 53758 1 685 . 1 . 1 202 202 ILE N N 15 120.372 0.013 . . . . . . . 198 I N . 53758 1 686 . 1 . 1 203 203 ALA H H 1 8.099 0.002 . . . . . . . 199 A HN . 53758 1 687 . 1 . 1 203 203 ALA CA C 13 55.107 0.022 . . . . . . . 199 A CA . 53758 1 688 . 1 . 1 203 203 ALA CB C 13 18.185 0.008 . . . . . . . 199 A CB . 53758 1 689 . 1 . 1 203 203 ALA N N 15 118.917 0.030 . . . . . . . 199 A N . 53758 1 690 . 1 . 1 204 204 GLU H H 1 7.845 0.002 . . . . . . . 200 E HN . 53758 1 691 . 1 . 1 204 204 GLU CA C 13 57.602 0.026 . . . . . . . 200 E CA . 53758 1 692 . 1 . 1 204 204 GLU CB C 13 29.683 0.110 . . . . . . . 200 E CB . 53758 1 693 . 1 . 1 204 204 GLU N N 15 115.022 0.006 . . . . . . . 200 E N . 53758 1 694 . 1 . 1 205 205 ASN H H 1 7.502 0.004 . . . . . . . 201 N HN . 53758 1 695 . 1 . 1 205 205 ASN CA C 13 53.833 0.041 . . . . . . . 201 N CA . 53758 1 696 . 1 . 1 205 205 ASN CB C 13 40.715 0.028 . . . . . . . 201 N CB . 53758 1 697 . 1 . 1 205 205 ASN N N 15 116.342 0.022 . . . . . . . 201 N N . 53758 1 698 . 1 . 1 206 206 ILE H H 1 6.701 0.002 . . . . . . . 202 I HN . 53758 1 699 . 1 . 1 206 206 ILE CA C 13 61.019 0.033 . . . . . . . 202 I CA . 53758 1 700 . 1 . 1 206 206 ILE CB C 13 38.227 0.000 . . . . . . . 202 I CB . 53758 1 701 . 1 . 1 206 206 ILE N N 15 119.363 0.022 . . . . . . . 202 I N . 53758 1 702 . 1 . 1 207 207 ASP H H 1 7.209 0.003 . . . . . . . 203 D HN . 53758 1 703 . 1 . 1 207 207 ASP CA C 13 55.209 0.008 . . . . . . . 203 D CA . 53758 1 704 . 1 . 1 207 207 ASP CB C 13 41.846 0.068 . . . . . . . 203 D CB . 53758 1 705 . 1 . 1 207 207 ASP N N 15 128.663 0.032 . . . . . . . 203 D N . 53758 1 706 . 1 . 1 208 208 LYS H H 1 7.418 0.002 . . . . . . . 204 K HN . 53758 1 707 . 1 . 1 208 208 LYS CA C 13 57.663 0.000 . . . . . . . 204 K CA . 53758 1 708 . 1 . 1 208 208 LYS CB C 13 34.148 0.000 . . . . . . . 204 K CB . 53758 1 709 . 1 . 1 208 208 LYS N N 15 125.785 0.016 . . . . . . . 204 K N . 53758 1 stop_ save_