################################### # 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 53759 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name SplB _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' . . . 53759 1 2 '3D HNCACB' . . . 53759 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 . . 53759 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 1 1 GLU CA C 13 56.411 0.000 . . . . . . . 1 E CA . 53759 1 2 . 1 . 1 1 1 GLU CB C 13 31.020 0.035 . . . . . . . 1 E CB . 53759 1 3 . 1 . 1 2 2 ASN H H 1 9.077 0.002 . . . . . . . 2 N HN . 53759 1 4 . 1 . 1 2 2 ASN CA C 13 51.198 0.002 . . . . . . . 2 N CA . 53759 1 5 . 1 . 1 2 2 ASN CB C 13 37.668 0.020 . . . . . . . 2 N CB . 53759 1 6 . 1 . 1 2 2 ASN N N 15 123.019 0.014 . . . . . . . 2 N N . 53759 1 7 . 1 . 1 3 3 ASN H H 1 9.945 0.002 . . . . . . . 3 N HN . 53759 1 8 . 1 . 1 3 3 ASN CA C 13 52.911 0.006 . . . . . . . 3 N CA . 53759 1 9 . 1 . 1 3 3 ASN CB C 13 39.905 0.066 . . . . . . . 3 N CB . 53759 1 10 . 1 . 1 3 3 ASN N N 15 124.944 0.042 . . . . . . . 3 N N . 53759 1 11 . 1 . 1 4 4 VAL H H 1 8.723 0.002 . . . . . . . 4 V HN . 53759 1 12 . 1 . 1 4 4 VAL CA C 13 61.474 0.014 . . . . . . . 4 V CA . 53759 1 13 . 1 . 1 4 4 VAL CB C 13 33.833 0.016 . . . . . . . 4 V CB . 53759 1 14 . 1 . 1 4 4 VAL N N 15 126.149 0.032 . . . . . . . 4 V N . 53759 1 15 . 1 . 1 5 5 THR H H 1 9.169 0.004 . . . . . . . 5 T HN . 53759 1 16 . 1 . 1 5 5 THR CA C 13 60.554 0.006 . . . . . . . 5 T CA . 53759 1 17 . 1 . 1 5 5 THR CB C 13 71.495 0.031 . . . . . . . 5 T CB . 53759 1 18 . 1 . 1 5 5 THR N N 15 121.245 0.009 . . . . . . . 5 T N . 53759 1 19 . 1 . 1 6 6 LYS H H 1 8.798 0.007 . . . . . . . 6 K HN . 53759 1 20 . 1 . 1 6 6 LYS CA C 13 56.892 0.009 . . . . . . . 6 K CA . 53759 1 21 . 1 . 1 6 6 LYS CB C 13 32.753 0.137 . . . . . . . 6 K CB . 53759 1 22 . 1 . 1 6 6 LYS N N 15 127.548 0.020 . . . . . . . 6 K N . 53759 1 23 . 1 . 1 7 7 VAL H H 1 8.256 0.004 . . . . . . . 7 V HN . 53759 1 24 . 1 . 1 7 7 VAL CA C 13 62.621 0.006 . . . . . . . 7 V CA . 53759 1 25 . 1 . 1 7 7 VAL CB C 13 31.143 0.115 . . . . . . . 7 V CB . 53759 1 26 . 1 . 1 7 7 VAL N N 15 129.135 0.017 . . . . . . . 7 V N . 53759 1 27 . 1 . 1 8 8 LYS H H 1 8.408 0.003 . . . . . . . 8 K HN . 53759 1 28 . 1 . 1 8 8 LYS CA C 13 58.504 0.001 . . . . . . . 8 K CA . 53759 1 29 . 1 . 1 8 8 LYS CB C 13 33.112 0.074 . . . . . . . 8 K CB . 53759 1 30 . 1 . 1 8 8 LYS N N 15 126.837 0.013 . . . . . . . 8 K N . 53759 1 31 . 1 . 1 9 9 ASP H H 1 7.417 0.004 . . . . . . . 9 D HN . 53759 1 32 . 1 . 1 9 9 ASP CA C 13 52.922 0.008 . . . . . . . 9 D CA . 53759 1 33 . 1 . 1 9 9 ASP CB C 13 42.330 0.014 . . . . . . . 9 D CB . 53759 1 34 . 1 . 1 9 9 ASP N N 15 118.081 0.034 . . . . . . . 9 D N . 53759 1 35 . 1 . 1 10 10 THR H H 1 8.215 0.001 . . . . . . . 10 T HN . 53759 1 36 . 1 . 1 10 10 THR CA C 13 61.267 0.020 . . . . . . . 10 T CA . 53759 1 37 . 1 . 1 10 10 THR CB C 13 67.701 0.097 . . . . . . . 10 T CB . 53759 1 38 . 1 . 1 10 10 THR N N 15 113.348 0.015 . . . . . . . 10 T N . 53759 1 39 . 1 . 1 11 11 ASN H H 1 8.307 0.001 . . . . . . . 11 N HN . 53759 1 40 . 1 . 1 11 11 ASN CA C 13 52.923 0.015 . . . . . . . 11 N CA . 53759 1 41 . 1 . 1 11 11 ASN CB C 13 38.944 0.014 . . . . . . . 11 N CB . 53759 1 42 . 1 . 1 11 11 ASN N N 15 115.592 0.013 . . . . . . . 11 N N . 53759 1 43 . 1 . 1 12 12 ILE H H 1 6.777 0.002 . . . . . . . 12 I HN . 53759 1 44 . 1 . 1 12 12 ILE CA C 13 58.528 0.000 . . . . . . . 12 I CA . 53759 1 45 . 1 . 1 12 12 ILE CB C 13 41.565 0.047 . . . . . . . 12 I CB . 53759 1 46 . 1 . 1 12 12 ILE N N 15 112.677 0.006 . . . . . . . 12 I N . 53759 1 47 . 1 . 1 13 13 PHE H H 1 8.669 0.002 . . . . . . . 13 F HN . 53759 1 48 . 1 . 1 13 13 PHE CA C 13 58.074 0.000 . . . . . . . 13 F CA . 53759 1 49 . 1 . 1 13 13 PHE CB C 13 39.900 0.000 . . . . . . . 13 F CB . 53759 1 50 . 1 . 1 13 13 PHE N N 15 126.940 0.046 . . . . . . . 13 F N . 53759 1 51 . 1 . 1 14 14 PRO CA C 13 62.459 0.000 . . . . . . . 14 P CA . 53759 1 52 . 1 . 1 14 14 PRO CB C 13 35.146 0.000 . . . . . . . 14 P CB . 53759 1 53 . 1 . 1 15 15 TYR H H 1 7.334 0.001 . . . . . . . 15 Y HN . 53759 1 54 . 1 . 1 15 15 TYR CA C 13 60.328 0.010 . . . . . . . 15 Y CA . 53759 1 55 . 1 . 1 15 15 TYR CB C 13 36.347 0.003 . . . . . . . 15 Y CB . 53759 1 56 . 1 . 1 15 15 TYR N N 15 128.656 0.015 . . . . . . . 15 Y N . 53759 1 57 . 1 . 1 16 16 THR H H 1 7.034 0.002 . . . . . . . 16 T HN . 53759 1 58 . 1 . 1 16 16 THR CA C 13 62.347 0.007 . . . . . . . 16 T CA . 53759 1 59 . 1 . 1 16 16 THR CB C 13 68.165 0.015 . . . . . . . 16 T CB . 53759 1 60 . 1 . 1 16 16 THR N N 15 103.635 0.029 . . . . . . . 16 T N . 53759 1 61 . 1 . 1 17 17 GLY H H 1 7.851 0.002 . . . . . . . 17 G HN . 53759 1 62 . 1 . 1 17 17 GLY CA C 13 45.711 0.002 . . . . . . . 17 G CA . 53759 1 63 . 1 . 1 17 17 GLY N N 15 108.443 0.017 . . . . . . . 17 G N . 53759 1 64 . 1 . 1 18 18 VAL H H 1 7.870 0.001 . . . . . . . 18 V HN . 53759 1 65 . 1 . 1 18 18 VAL CA C 13 62.855 0.008 . . . . . . . 18 V CA . 53759 1 66 . 1 . 1 18 18 VAL CB C 13 33.443 0.000 . . . . . . . 18 V CB . 53759 1 67 . 1 . 1 18 18 VAL N N 15 118.977 0.017 . . . . . . . 18 V N . 53759 1 68 . 1 . 1 19 19 VAL H H 1 9.043 0.004 . . . . . . . 19 V HN . 53759 1 69 . 1 . 1 19 19 VAL CA C 13 59.111 0.004 . . . . . . . 19 V CA . 53759 1 70 . 1 . 1 19 19 VAL CB C 13 34.048 0.188 . . . . . . . 19 V CB . 53759 1 71 . 1 . 1 19 19 VAL N N 15 118.899 0.009 . . . . . . . 19 V N . 53759 1 72 . 1 . 1 20 20 ALA H H 1 8.779 0.004 . . . . . . . 20 A HN . 53759 1 73 . 1 . 1 20 20 ALA CA C 13 51.282 0.019 . . . . . . . 20 A CA . 53759 1 74 . 1 . 1 20 20 ALA CB C 13 22.545 0.056 . . . . . . . 20 A CB . 53759 1 75 . 1 . 1 20 20 ALA N N 15 121.451 0.019 . . . . . . . 20 A N . 53759 1 76 . 1 . 1 21 21 PHE H H 1 8.261 0.005 . . . . . . . 21 F HN . 53759 1 77 . 1 . 1 21 21 PHE CA C 13 56.740 0.000 . . . . . . . 21 F CA . 53759 1 78 . 1 . 1 21 21 PHE CB C 13 40.413 0.000 . . . . . . . 21 F CB . 53759 1 79 . 1 . 1 21 21 PHE N N 15 122.418 0.040 . . . . . . . 21 F N . 53759 1 80 . 1 . 1 23 23 SER CA C 13 56.837 0.000 . . . . . . . 23 S CA . 53759 1 81 . 1 . 1 23 23 SER CB C 13 64.783 0.000 . . . . . . . 23 S CB . 53759 1 82 . 1 . 1 24 24 ALA H H 1 7.410 0.004 . . . . . . . 24 A HN . 53759 1 83 . 1 . 1 24 24 ALA CA C 13 52.542 0.011 . . . . . . . 24 A CA . 53759 1 84 . 1 . 1 24 24 ALA CB C 13 22.479 0.111 . . . . . . . 24 A CB . 53759 1 85 . 1 . 1 24 24 ALA N N 15 121.206 0.023 . . . . . . . 24 A N . 53759 1 86 . 1 . 1 25 25 THR H H 1 8.746 0.003 . . . . . . . 25 T HN . 53759 1 87 . 1 . 1 25 25 THR CA C 13 63.729 0.007 . . . . . . . 25 T CA . 53759 1 88 . 1 . 1 25 25 THR CB C 13 73.087 0.184 . . . . . . . 25 T CB . 53759 1 89 . 1 . 1 25 25 THR N N 15 117.094 0.030 . . . . . . . 25 T N . 53759 1 90 . 1 . 1 26 26 GLY H H 1 8.630 0.000 . . . . . . . 26 G HN . 53759 1 91 . 1 . 1 26 26 GLY CA C 13 46.644 0.018 . . . . . . . 26 G CA . 53759 1 92 . 1 . 1 26 26 GLY N N 15 110.917 0.028 . . . . . . . 26 G N . 53759 1 93 . 1 . 1 27 27 PHE H H 1 8.677 0.001 . . . . . . . 27 F HN . 53759 1 94 . 1 . 1 27 27 PHE CA C 13 56.398 0.004 . . . . . . . 27 F CA . 53759 1 95 . 1 . 1 27 27 PHE CB C 13 41.070 0.027 . . . . . . . 27 F CB . 53759 1 96 . 1 . 1 27 27 PHE N N 15 113.199 0.007 . . . . . . . 27 F N . 53759 1 97 . 1 . 1 28 28 VAL H H 1 9.373 0.004 . . . . . . . 28 V HN . 53759 1 98 . 1 . 1 28 28 VAL CA C 13 64.017 0.006 . . . . . . . 28 V CA . 53759 1 99 . 1 . 1 28 28 VAL CB C 13 32.608 0.047 . . . . . . . 28 V CB . 53759 1 100 . 1 . 1 28 28 VAL N N 15 121.348 0.064 . . . . . . . 28 V N . 53759 1 101 . 1 . 1 29 29 VAL H H 1 8.344 0.003 . . . . . . . 29 V HN . 53759 1 102 . 1 . 1 29 29 VAL CA C 13 60.383 0.021 . . . . . . . 29 V CA . 53759 1 103 . 1 . 1 29 29 VAL CB C 13 33.816 0.048 . . . . . . . 29 V CB . 53759 1 104 . 1 . 1 29 29 VAL N N 15 115.054 0.081 . . . . . . . 29 V N . 53759 1 105 . 1 . 1 30 30 GLY H H 1 7.822 0.001 . . . . . . . 30 G HN . 53759 1 106 . 1 . 1 30 30 GLY CA C 13 45.118 0.005 . . . . . . . 30 G CA . 53759 1 107 . 1 . 1 30 30 GLY N N 15 108.283 0.053 . . . . . . . 30 G N . 53759 1 108 . 1 . 1 31 31 LYS H H 1 8.541 0.001 . . . . . . . 31 K HN . 53759 1 109 . 1 . 1 31 31 LYS CA C 13 58.137 0.006 . . . . . . . 31 K CA . 53759 1 110 . 1 . 1 31 31 LYS CB C 13 31.819 0.069 . . . . . . . 31 K CB . 53759 1 111 . 1 . 1 31 31 LYS N N 15 125.142 0.014 . . . . . . . 31 K N . 53759 1 112 . 1 . 1 32 32 ASN H H 1 9.179 0.002 . . . . . . . 32 N HN . 53759 1 113 . 1 . 1 32 32 ASN CA C 13 55.702 0.012 . . . . . . . 32 N CA . 53759 1 114 . 1 . 1 32 32 ASN CB C 13 38.697 0.062 . . . . . . . 32 N CB . 53759 1 115 . 1 . 1 32 32 ASN N N 15 123.826 0.010 . . . . . . . 32 N N . 53759 1 116 . 1 . 1 33 33 THR H H 1 8.092 0.002 . . . . . . . 33 T HN . 53759 1 117 . 1 . 1 33 33 THR CA C 13 64.875 0.008 . . . . . . . 33 T CA . 53759 1 118 . 1 . 1 33 33 THR CB C 13 71.595 0.045 . . . . . . . 33 T CB . 53759 1 119 . 1 . 1 33 33 THR N N 15 113.850 0.013 . . . . . . . 33 T N . 53759 1 120 . 1 . 1 34 34 ILE H H 1 9.650 0.004 . . . . . . . 34 I HN . 53759 1 121 . 1 . 1 34 34 ILE CA C 13 58.261 0.022 . . . . . . . 34 I CA . 53759 1 122 . 1 . 1 34 34 ILE CB C 13 43.562 0.030 . . . . . . . 34 I CB . 53759 1 123 . 1 . 1 34 34 ILE N N 15 127.528 0.098 . . . . . . . 34 I N . 53759 1 124 . 1 . 1 35 35 LEU H H 1 9.207 0.004 . . . . . . . 35 L HN . 53759 1 125 . 1 . 1 35 35 LEU CA C 13 52.291 0.005 . . . . . . . 35 L CA . 53759 1 126 . 1 . 1 35 35 LEU CB C 13 45.715 0.016 . . . . . . . 35 L CB . 53759 1 127 . 1 . 1 35 35 LEU N N 15 123.340 0.023 . . . . . . . 35 L N . 53759 1 128 . 1 . 1 36 36 THR H H 1 8.371 0.001 . . . . . . . 36 T HN . 53759 1 129 . 1 . 1 36 36 THR CA C 13 61.127 0.022 . . . . . . . 36 T CA . 53759 1 130 . 1 . 1 36 36 THR CB C 13 68.947 0.035 . . . . . . . 36 T CB . 53759 1 131 . 1 . 1 36 36 THR N N 15 113.569 0.011 . . . . . . . 36 T N . 53759 1 132 . 1 . 1 37 37 ASN H H 1 7.949 0.002 . . . . . . . 37 N HN . 53759 1 133 . 1 . 1 37 37 ASN CA C 13 52.916 0.012 . . . . . . . 37 N CA . 53759 1 134 . 1 . 1 37 37 ASN CB C 13 40.610 0.081 . . . . . . . 37 N CB . 53759 1 135 . 1 . 1 37 37 ASN N N 15 116.824 0.016 . . . . . . . 37 N N . 53759 1 136 . 1 . 1 38 38 LYS H H 1 7.778 0.006 . . . . . . . 38 K HN . 53759 1 137 . 1 . 1 38 38 LYS CA C 13 59.384 0.028 . . . . . . . 38 K CA . 53759 1 138 . 1 . 1 38 38 LYS CB C 13 32.139 0.144 . . . . . . . 38 K CB . 53759 1 139 . 1 . 1 38 38 LYS N N 15 126.611 0.026 . . . . . . . 38 K N . 53759 1 140 . 1 . 1 39 39 HIS H H 1 9.144 0.002 . . . . . . . 39 H HN . 53759 1 141 . 1 . 1 39 39 HIS CA C 13 58.775 0.008 . . . . . . . 39 H CA . 53759 1 142 . 1 . 1 39 39 HIS CB C 13 26.606 0.044 . . . . . . . 39 H CB . 53759 1 143 . 1 . 1 39 39 HIS N N 15 113.897 0.025 . . . . . . . 39 H N . 53759 1 144 . 1 . 1 40 40 VAL H H 1 6.409 0.000 . . . . . . . 40 V HN . 53759 1 145 . 1 . 1 40 40 VAL CA C 13 63.812 0.007 . . . . . . . 40 V CA . 53759 1 146 . 1 . 1 40 40 VAL CB C 13 32.412 0.158 . . . . . . . 40 V CB . 53759 1 147 . 1 . 1 40 40 VAL N N 15 118.620 0.025 . . . . . . . 40 V N . 53759 1 148 . 1 . 1 41 41 SER H H 1 8.200 0.001 . . . . . . . 41 S HN . 53759 1 149 . 1 . 1 41 41 SER CA C 13 61.884 0.003 . . . . . . . 41 S CA . 53759 1 150 . 1 . 1 41 41 SER CB C 13 62.974 0.002 . . . . . . . 41 S CB . 53759 1 151 . 1 . 1 41 41 SER N N 15 115.118 0.029 . . . . . . . 41 S N . 53759 1 152 . 1 . 1 42 42 LYS H H 1 7.719 0.001 . . . . . . . 42 K HN . 53759 1 153 . 1 . 1 42 42 LYS CA C 13 58.208 0.009 . . . . . . . 42 K CA . 53759 1 154 . 1 . 1 42 42 LYS CB C 13 31.779 0.093 . . . . . . . 42 K CB . 53759 1 155 . 1 . 1 42 42 LYS N N 15 119.820 0.014 . . . . . . . 42 K N . 53759 1 156 . 1 . 1 43 43 ASN H H 1 7.529 0.001 . . . . . . . 43 N HN . 53759 1 157 . 1 . 1 43 43 ASN CA C 13 53.270 0.015 . . . . . . . 43 N CA . 53759 1 158 . 1 . 1 43 43 ASN CB C 13 39.298 0.039 . . . . . . . 43 N CB . 53759 1 159 . 1 . 1 43 43 ASN N N 15 115.386 0.016 . . . . . . . 43 N N . 53759 1 160 . 1 . 1 44 44 TYR H H 1 7.917 0.004 . . . . . . . 44 Y HN . 53759 1 161 . 1 . 1 44 44 TYR CA C 13 57.645 0.000 . . . . . . . 44 Y CA . 53759 1 162 . 1 . 1 44 44 TYR CB C 13 42.042 0.003 . . . . . . . 44 Y CB . 53759 1 163 . 1 . 1 44 44 TYR N N 15 119.599 0.010 . . . . . . . 44 Y N . 53759 1 164 . 1 . 1 45 45 LYS H H 1 8.983 0.002 . . . . . . . 45 K HN . 53759 1 165 . 1 . 1 45 45 LYS CA C 13 53.789 0.001 . . . . . . . 45 K CA . 53759 1 166 . 1 . 1 45 45 LYS CB C 13 36.581 0.039 . . . . . . . 45 K CB . 53759 1 167 . 1 . 1 45 45 LYS N N 15 117.668 0.026 . . . . . . . 45 K N . 53759 1 168 . 1 . 1 46 46 VAL H H 1 8.239 0.001 . . . . . . . 46 V HN . 53759 1 169 . 1 . 1 46 46 VAL CA C 13 65.587 0.016 . . . . . . . 46 V CA . 53759 1 170 . 1 . 1 46 46 VAL CB C 13 31.494 0.094 . . . . . . . 46 V CB . 53759 1 171 . 1 . 1 46 46 VAL N N 15 119.709 0.011 . . . . . . . 46 V N . 53759 1 172 . 1 . 1 47 47 GLY H H 1 8.995 0.003 . . . . . . . 47 G HN . 53759 1 173 . 1 . 1 47 47 GLY CA C 13 44.917 0.041 . . . . . . . 47 G CA . 53759 1 174 . 1 . 1 47 47 GLY N N 15 116.481 0.014 . . . . . . . 47 G N . 53759 1 175 . 1 . 1 48 48 ASP H H 1 8.174 0.002 . . . . . . . 48 D HN . 53759 1 176 . 1 . 1 48 48 ASP CA C 13 55.460 0.000 . . . . . . . 48 D CA . 53759 1 177 . 1 . 1 48 48 ASP CB C 13 41.880 0.044 . . . . . . . 48 D CB . 53759 1 178 . 1 . 1 48 48 ASP N N 15 121.364 0.022 . . . . . . . 48 D N . 53759 1 179 . 1 . 1 49 49 ARG H H 1 8.417 0.002 . . . . . . . 49 R HN . 53759 1 180 . 1 . 1 49 49 ARG CA C 13 55.763 0.041 . . . . . . . 49 R CA . 53759 1 181 . 1 . 1 49 49 ARG CB C 13 33.240 0.020 . . . . . . . 49 R CB . 53759 1 182 . 1 . 1 49 49 ARG N N 15 116.758 0.019 . . . . . . . 49 R N . 53759 1 183 . 1 . 1 50 50 ILE H H 1 8.860 0.005 . . . . . . . 50 I HN . 53759 1 184 . 1 . 1 50 50 ILE CA C 13 58.505 0.013 . . . . . . . 50 I CA . 53759 1 185 . 1 . 1 50 50 ILE CB C 13 42.120 0.144 . . . . . . . 50 I CB . 53759 1 186 . 1 . 1 50 50 ILE N N 15 113.781 0.043 . . . . . . . 50 I N . 53759 1 187 . 1 . 1 51 51 THR H H 1 7.795 0.003 . . . . . . . 51 T HN . 53759 1 188 . 1 . 1 51 51 THR CA C 13 61.039 0.004 . . . . . . . 51 T CA . 53759 1 189 . 1 . 1 51 51 THR CB C 13 69.985 0.129 . . . . . . . 51 T CB . 53759 1 190 . 1 . 1 51 51 THR N N 15 116.757 0.007 . . . . . . . 51 T N . 53759 1 191 . 1 . 1 52 52 ALA H H 1 8.833 0.001 . . . . . . . 52 A HN . 53759 1 192 . 1 . 1 52 52 ALA CA C 13 52.794 0.007 . . . . . . . 52 A CA . 53759 1 193 . 1 . 1 52 52 ALA CB C 13 19.328 0.102 . . . . . . . 52 A CB . 53759 1 194 . 1 . 1 52 52 ALA N N 15 129.928 0.004 . . . . . . . 52 A N . 53759 1 195 . 1 . 1 53 53 HIS H H 1 8.881 0.003 . . . . . . . 53 H HN . 53759 1 196 . 1 . 1 53 53 HIS CA C 13 56.095 0.000 . . . . . . . 53 H CA . 53759 1 197 . 1 . 1 53 53 HIS CB C 13 29.695 0.000 . . . . . . . 53 H CB . 53759 1 198 . 1 . 1 53 53 HIS N N 15 120.622 0.025 . . . . . . . 53 H N . 53759 1 199 . 1 . 1 54 54 PRO CA C 13 63.340 0.018 . . . . . . . 54 P CA . 53759 1 200 . 1 . 1 54 54 PRO CB C 13 32.422 0.000 . . . . . . . 54 P CB . 53759 1 201 . 1 . 1 55 55 ASN H H 1 8.032 0.004 . . . . . . . 55 N HN . 53759 1 202 . 1 . 1 55 55 ASN CA C 13 50.909 0.032 . . . . . . . 55 N CA . 53759 1 203 . 1 . 1 55 55 ASN CB C 13 39.753 0.000 . . . . . . . 55 N CB . 53759 1 204 . 1 . 1 55 55 ASN N N 15 115.896 0.008 . . . . . . . 55 N N . 53759 1 205 . 1 . 1 56 56 SER H H 1 8.932 0.005 . . . . . . . 56 S HN . 53759 1 206 . 1 . 1 56 56 SER CA C 13 58.892 0.036 . . . . . . . 56 S CA . 53759 1 207 . 1 . 1 56 56 SER CB C 13 62.593 0.000 . . . . . . . 56 S CB . 53759 1 208 . 1 . 1 56 56 SER N N 15 117.831 0.082 . . . . . . . 56 S N . 53759 1 209 . 1 . 1 57 57 ASP H H 1 8.809 0.002 . . . . . . . 57 D HN . 53759 1 210 . 1 . 1 57 57 ASP CA C 13 53.565 0.003 . . . . . . . 57 D CA . 53759 1 211 . 1 . 1 57 57 ASP CB C 13 40.234 0.169 . . . . . . . 57 D CB . 53759 1 212 . 1 . 1 57 57 ASP N N 15 122.572 0.042 . . . . . . . 57 D N . 53759 1 213 . 1 . 1 58 58 LYS H H 1 8.692 0.002 . . . . . . . 58 K HN . 53759 1 214 . 1 . 1 58 58 LYS CA C 13 56.723 0.018 . . . . . . . 58 K CA . 53759 1 215 . 1 . 1 58 58 LYS CB C 13 32.553 0.001 . . . . . . . 58 K CB . 53759 1 216 . 1 . 1 58 58 LYS N N 15 118.861 0.101 . . . . . . . 58 K N . 53759 1 217 . 1 . 1 59 59 GLY H H 1 7.824 0.007 . . . . . . . 59 G HN . 53759 1 218 . 1 . 1 59 59 GLY CA C 13 44.982 0.004 . . . . . . . 59 G CA . 53759 1 219 . 1 . 1 59 59 GLY N N 15 107.606 0.037 . . . . . . . 59 G N . 53759 1 220 . 1 . 1 60 60 ASN H H 1 8.393 0.001 . . . . . . . 60 N HN . 53759 1 221 . 1 . 1 60 60 ASN CA C 13 53.101 0.006 . . . . . . . 60 N CA . 53759 1 222 . 1 . 1 60 60 ASN CB C 13 40.400 0.023 . . . . . . . 60 N CB . 53759 1 223 . 1 . 1 60 60 ASN N N 15 114.567 0.012 . . . . . . . 60 N N . 53759 1 224 . 1 . 1 61 61 GLY H H 1 8.312 0.003 . . . . . . . 61 G HN . 53759 1 225 . 1 . 1 61 61 GLY CA C 13 45.858 0.008 . . . . . . . 61 G CA . 53759 1 226 . 1 . 1 61 61 GLY N N 15 102.229 0.016 . . . . . . . 61 G N . 53759 1 227 . 1 . 1 62 62 GLY H H 1 9.013 0.002 . . . . . . . 62 G HN . 53759 1 228 . 1 . 1 62 62 GLY CA C 13 43.334 0.015 . . . . . . . 62 G CA . 53759 1 229 . 1 . 1 62 62 GLY N N 15 112.860 0.021 . . . . . . . 62 G N . 53759 1 230 . 1 . 1 63 63 ILE H H 1 7.572 0.003 . . . . . . . 63 I HN . 53759 1 231 . 1 . 1 63 63 ILE CA C 13 60.267 0.009 . . . . . . . 63 I CA . 53759 1 232 . 1 . 1 63 63 ILE CB C 13 40.598 0.000 . . . . . . . 63 I CB . 53759 1 233 . 1 . 1 63 63 ILE N N 15 118.635 0.013 . . . . . . . 63 I N . 53759 1 234 . 1 . 1 64 64 TYR H H 1 8.814 0.003 . . . . . . . 64 Y HN . 53759 1 235 . 1 . 1 64 64 TYR CA C 13 56.935 0.000 . . . . . . . 64 Y CA . 53759 1 236 . 1 . 1 64 64 TYR CB C 13 41.859 0.008 . . . . . . . 64 Y CB . 53759 1 237 . 1 . 1 64 64 TYR N N 15 124.719 0.011 . . . . . . . 64 Y N . 53759 1 238 . 1 . 1 65 65 SER H H 1 9.562 0.002 . . . . . . . 65 S HN . 53759 1 239 . 1 . 1 65 65 SER CA C 13 56.610 0.019 . . . . . . . 65 S CA . 53759 1 240 . 1 . 1 65 65 SER CB C 13 65.153 0.033 . . . . . . . 65 S CB . 53759 1 241 . 1 . 1 65 65 SER N N 15 116.389 0.006 . . . . . . . 65 S N . 53759 1 242 . 1 . 1 66 66 ILE H H 1 9.056 0.003 . . . . . . . 66 I HN . 53759 1 243 . 1 . 1 66 66 ILE CA C 13 63.785 0.006 . . . . . . . 66 I CA . 53759 1 244 . 1 . 1 66 66 ILE CB C 13 38.925 0.112 . . . . . . . 66 I CB . 53759 1 245 . 1 . 1 66 66 ILE N N 15 123.776 0.016 . . . . . . . 66 I N . 53759 1 246 . 1 . 1 67 67 LYS H H 1 9.965 0.011 . . . . . . . 67 K HN . 53759 1 247 . 1 . 1 67 67 LYS CA C 13 56.005 0.025 . . . . . . . 67 K CA . 53759 1 248 . 1 . 1 67 67 LYS CB C 13 36.249 0.110 . . . . . . . 67 K CB . 53759 1 249 . 1 . 1 67 67 LYS N N 15 129.019 0.048 . . . . . . . 67 K N . 53759 1 250 . 1 . 1 68 68 LYS H H 1 7.714 0.001 . . . . . . . 68 K HN . 53759 1 251 . 1 . 1 68 68 LYS CA C 13 57.597 0.020 . . . . . . . 68 K CA . 53759 1 252 . 1 . 1 68 68 LYS CB C 13 37.051 0.046 . . . . . . . 68 K CB . 53759 1 253 . 1 . 1 68 68 LYS N N 15 122.462 0.028 . . . . . . . 68 K N . 53759 1 254 . 1 . 1 69 69 ILE H H 1 8.628 0.004 . . . . . . . 69 I HN . 53759 1 255 . 1 . 1 69 69 ILE CA C 13 61.795 0.006 . . . . . . . 69 I CA . 53759 1 256 . 1 . 1 69 69 ILE CB C 13 40.724 0.041 . . . . . . . 69 I CB . 53759 1 257 . 1 . 1 69 69 ILE N N 15 125.719 0.016 . . . . . . . 69 I N . 53759 1 258 . 1 . 1 70 70 ILE H H 1 9.808 0.001 . . . . . . . 70 I HN . 53759 1 259 . 1 . 1 70 70 ILE CA C 13 60.849 0.003 . . . . . . . 70 I CA . 53759 1 260 . 1 . 1 70 70 ILE CB C 13 40.734 0.031 . . . . . . . 70 I CB . 53759 1 261 . 1 . 1 70 70 ILE N N 15 129.693 0.014 . . . . . . . 70 I N . 53759 1 262 . 1 . 1 71 71 ASN H H 1 9.158 0.001 . . . . . . . 71 N HN . 53759 1 263 . 1 . 1 71 71 ASN CA C 13 52.718 0.009 . . . . . . . 71 N CA . 53759 1 264 . 1 . 1 71 71 ASN CB C 13 39.399 0.020 . . . . . . . 71 N CB . 53759 1 265 . 1 . 1 71 71 ASN N N 15 126.243 0.026 . . . . . . . 71 N N . 53759 1 266 . 1 . 1 72 72 TYR H H 1 8.025 0.002 . . . . . . . 72 Y HN . 53759 1 267 . 1 . 1 72 72 TYR CA C 13 55.252 0.000 . . . . . . . 72 Y CA . 53759 1 268 . 1 . 1 72 72 TYR CB C 13 39.689 0.000 . . . . . . . 72 Y CB . 53759 1 269 . 1 . 1 72 72 TYR N N 15 124.463 0.012 . . . . . . . 72 Y N . 53759 1 270 . 1 . 1 74 74 GLY CA C 13 44.198 0.004 . . . . . . . 74 G CA . 53759 1 271 . 1 . 1 75 75 LYS H H 1 8.321 0.001 . . . . . . . 75 K HN . 53759 1 272 . 1 . 1 75 75 LYS CA C 13 58.205 0.017 . . . . . . . 75 K CA . 53759 1 273 . 1 . 1 75 75 LYS CB C 13 32.586 0.008 . . . . . . . 75 K CB . 53759 1 274 . 1 . 1 75 75 LYS N N 15 116.863 0.012 . . . . . . . 75 K N . 53759 1 275 . 1 . 1 76 76 GLU H H 1 9.809 0.002 . . . . . . . 76 E HN . 53759 1 276 . 1 . 1 76 76 GLU CA C 13 59.810 0.000 . . . . . . . 76 E CA . 53759 1 277 . 1 . 1 76 76 GLU CB C 13 28.860 0.019 . . . . . . . 76 E CB . 53759 1 278 . 1 . 1 76 76 GLU N N 15 120.737 0.018 . . . . . . . 76 E N . 53759 1 279 . 1 . 1 77 77 ASP H H 1 7.703 0.002 . . . . . . . 77 D HN . 53759 1 280 . 1 . 1 77 77 ASP CA C 13 53.788 0.054 . . . . . . . 77 D CA . 53759 1 281 . 1 . 1 77 77 ASP CB C 13 38.427 0.165 . . . . . . . 77 D CB . 53759 1 282 . 1 . 1 77 77 ASP N N 15 121.233 0.034 . . . . . . . 77 D N . 53759 1 283 . 1 . 1 78 78 VAL H H 1 8.221 0.003 . . . . . . . 78 V HN . 53759 1 284 . 1 . 1 78 78 VAL CA C 13 61.689 0.010 . . . . . . . 78 V CA . 53759 1 285 . 1 . 1 78 78 VAL CB C 13 36.104 0.020 . . . . . . . 78 V CB . 53759 1 286 . 1 . 1 78 78 VAL N N 15 122.477 0.021 . . . . . . . 78 V N . 53759 1 287 . 1 . 1 79 79 SER H H 1 8.772 0.002 . . . . . . . 79 S HN . 53759 1 288 . 1 . 1 79 79 SER CA C 13 57.127 0.007 . . . . . . . 79 S CA . 53759 1 289 . 1 . 1 79 79 SER CB C 13 66.045 0.016 . . . . . . . 79 S CB . 53759 1 290 . 1 . 1 79 79 SER N N 15 122.004 0.012 . . . . . . . 79 S N . 53759 1 291 . 1 . 1 80 80 VAL H H 1 9.099 0.002 . . . . . . . 80 V HN . 53759 1 292 . 1 . 1 80 80 VAL CA C 13 61.325 0.019 . . . . . . . 80 V CA . 53759 1 293 . 1 . 1 80 80 VAL CB C 13 32.961 0.035 . . . . . . . 80 V CB . 53759 1 294 . 1 . 1 80 80 VAL N N 15 125.502 0.011 . . . . . . . 80 V N . 53759 1 295 . 1 . 1 81 81 ILE H H 1 9.470 0.002 . . . . . . . 81 I HN . 53759 1 296 . 1 . 1 81 81 ILE CA C 13 58.262 0.013 . . . . . . . 81 I CA . 53759 1 297 . 1 . 1 81 81 ILE CB C 13 40.331 0.076 . . . . . . . 81 I CB . 53759 1 298 . 1 . 1 81 81 ILE N N 15 127.521 0.012 . . . . . . . 81 I N . 53759 1 299 . 1 . 1 82 82 GLN H H 1 8.867 0.005 . . . . . . . 82 Q HN . 53759 1 300 . 1 . 1 82 82 GLN CA C 13 52.595 0.011 . . . . . . . 82 Q CA . 53759 1 301 . 1 . 1 82 82 GLN CB C 13 30.903 0.119 . . . . . . . 82 Q CB . 53759 1 302 . 1 . 1 82 82 GLN N N 15 123.150 0.021 . . . . . . . 82 Q N . 53759 1 303 . 1 . 1 83 83 VAL H H 1 8.484 0.003 . . . . . . . 83 V HN . 53759 1 304 . 1 . 1 83 83 VAL CA C 13 58.146 0.001 . . . . . . . 83 V CA . 53759 1 305 . 1 . 1 83 83 VAL CB C 13 33.814 0.005 . . . . . . . 83 V CB . 53759 1 306 . 1 . 1 83 83 VAL N N 15 116.223 0.011 . . . . . . . 83 V N . 53759 1 307 . 1 . 1 84 84 GLU H H 1 8.407 0.002 . . . . . . . 84 E HN . 53759 1 308 . 1 . 1 84 84 GLU CA C 13 56.108 0.023 . . . . . . . 84 E CA . 53759 1 309 . 1 . 1 84 84 GLU CB C 13 28.569 0.050 . . . . . . . 84 E CB . 53759 1 310 . 1 . 1 84 84 GLU N N 15 118.980 0.022 . . . . . . . 84 E N . 53759 1 311 . 1 . 1 85 85 GLU H H 1 8.272 0.002 . . . . . . . 85 E HN . 53759 1 312 . 1 . 1 85 85 GLU CA C 13 59.453 0.012 . . . . . . . 85 E CA . 53759 1 313 . 1 . 1 85 85 GLU CB C 13 31.936 0.025 . . . . . . . 85 E CB . 53759 1 314 . 1 . 1 85 85 GLU N N 15 128.105 0.023 . . . . . . . 85 E N . 53759 1 315 . 1 . 1 86 86 ARG H H 1 8.055 0.001 . . . . . . . 86 R HN . 53759 1 316 . 1 . 1 86 86 ARG CA C 13 55.572 0.006 . . . . . . . 86 R CA . 53759 1 317 . 1 . 1 86 86 ARG CB C 13 29.785 0.054 . . . . . . . 86 R CB . 53759 1 318 . 1 . 1 86 86 ARG N N 15 114.942 0.010 . . . . . . . 86 R N . 53759 1 319 . 1 . 1 87 87 ALA H H 1 10.057 0.001 . . . . . . . 87 A HN . 53759 1 320 . 1 . 1 87 87 ALA CA C 13 53.306 0.014 . . . . . . . 87 A CA . 53759 1 321 . 1 . 1 87 87 ALA CB C 13 19.875 0.019 . . . . . . . 87 A CB . 53759 1 322 . 1 . 1 87 87 ALA N N 15 132.324 0.012 . . . . . . . 87 A N . 53759 1 323 . 1 . 1 88 88 ILE H H 1 8.433 0.002 . . . . . . . 88 I HN . 53759 1 324 . 1 . 1 88 88 ILE CA C 13 62.331 0.010 . . . . . . . 88 I CA . 53759 1 325 . 1 . 1 88 88 ILE CB C 13 38.069 0.066 . . . . . . . 88 I CB . 53759 1 326 . 1 . 1 88 88 ILE N N 15 119.421 0.007 . . . . . . . 88 I N . 53759 1 327 . 1 . 1 89 89 GLU H H 1 6.800 0.006 . . . . . . . 89 E HN . 53759 1 328 . 1 . 1 89 89 GLU CA C 13 54.776 0.024 . . . . . . . 89 E CA . 53759 1 329 . 1 . 1 89 89 GLU CB C 13 32.326 0.095 . . . . . . . 89 E CB . 53759 1 330 . 1 . 1 89 89 GLU N N 15 116.548 0.015 . . . . . . . 89 E N . 53759 1 331 . 1 . 1 90 90 ARG H H 1 8.055 0.004 . . . . . . . 90 R HN . 53759 1 332 . 1 . 1 90 90 ARG CA C 13 56.364 0.014 . . . . . . . 90 R CA . 53759 1 333 . 1 . 1 90 90 ARG CB C 13 29.118 0.000 . . . . . . . 90 R CB . 53759 1 334 . 1 . 1 90 90 ARG N N 15 120.315 0.054 . . . . . . . 90 R N . 53759 1 335 . 1 . 1 91 91 GLY H H 1 7.108 0.001 . . . . . . . 91 G HN . 53759 1 336 . 1 . 1 91 91 GLY CA C 13 43.178 0.000 . . . . . . . 91 G CA . 53759 1 337 . 1 . 1 91 91 GLY N N 15 105.585 0.008 . . . . . . . 91 G N . 53759 1 338 . 1 . 1 92 92 PRO CA C 13 65.006 0.002 . . . . . . . 92 P CA . 53759 1 339 . 1 . 1 92 92 PRO CB C 13 32.422 0.058 . . . . . . . 92 P CB . 53759 1 340 . 1 . 1 93 93 LYS H H 1 7.739 0.003 . . . . . . . 93 K HN . 53759 1 341 . 1 . 1 93 93 LYS CA C 13 54.205 0.010 . . . . . . . 93 K CA . 53759 1 342 . 1 . 1 93 93 LYS CB C 13 30.792 0.011 . . . . . . . 93 K CB . 53759 1 343 . 1 . 1 93 93 LYS N N 15 112.432 0.017 . . . . . . . 93 K N . 53759 1 344 . 1 . 1 94 94 GLY H H 1 7.820 0.002 . . . . . . . 94 G HN . 53759 1 345 . 1 . 1 94 94 GLY CA C 13 44.248 0.053 . . . . . . . 94 G CA . 53759 1 346 . 1 . 1 94 94 GLY N N 15 107.056 0.005 . . . . . . . 94 G N . 53759 1 347 . 1 . 1 95 95 PHE H H 1 9.160 0.004 . . . . . . . 95 F HN . 53759 1 348 . 1 . 1 95 95 PHE CA C 13 61.147 0.018 . . . . . . . 95 F CA . 53759 1 349 . 1 . 1 95 95 PHE CB C 13 40.988 0.030 . . . . . . . 95 F CB . 53759 1 350 . 1 . 1 95 95 PHE N N 15 118.603 0.020 . . . . . . . 95 F N . 53759 1 351 . 1 . 1 96 96 ASN H H 1 8.715 0.001 . . . . . . . 96 N HN . 53759 1 352 . 1 . 1 96 96 ASN CA C 13 54.427 0.005 . . . . . . . 96 N CA . 53759 1 353 . 1 . 1 96 96 ASN CB C 13 39.876 0.031 . . . . . . . 96 N CB . 53759 1 354 . 1 . 1 96 96 ASN N N 15 119.334 0.013 . . . . . . . 96 N N . 53759 1 355 . 1 . 1 97 97 PHE H H 1 9.931 0.003 . . . . . . . 97 F HN . 53759 1 356 . 1 . 1 97 97 PHE CA C 13 61.651 0.002 . . . . . . . 97 F CA . 53759 1 357 . 1 . 1 97 97 PHE CB C 13 41.150 0.115 . . . . . . . 97 F CB . 53759 1 358 . 1 . 1 97 97 PHE N N 15 130.696 0.042 . . . . . . . 97 F N . 53759 1 359 . 1 . 1 98 98 ASN H H 1 8.404 0.004 . . . . . . . 98 N HN . 53759 1 360 . 1 . 1 98 98 ASN CA C 13 55.456 0.000 . . . . . . . 98 N CA . 53759 1 361 . 1 . 1 98 98 ASN CB C 13 38.843 0.012 . . . . . . . 98 N CB . 53759 1 362 . 1 . 1 98 98 ASN N N 15 109.639 0.028 . . . . . . . 98 N N . 53759 1 363 . 1 . 1 99 99 ASP H H 1 7.476 0.001 . . . . . . . 99 D HN . 53759 1 364 . 1 . 1 99 99 ASP CA C 13 55.410 0.013 . . . . . . . 99 D CA . 53759 1 365 . 1 . 1 99 99 ASP CB C 13 41.161 0.006 . . . . . . . 99 D CB . 53759 1 366 . 1 . 1 99 99 ASP N N 15 115.340 0.004 . . . . . . . 99 D N . 53759 1 367 . 1 . 1 100 100 ASN H H 1 7.507 0.003 . . . . . . . 100 N HN . 53759 1 368 . 1 . 1 100 100 ASN CA C 13 54.181 0.032 . . . . . . . 100 N CA . 53759 1 369 . 1 . 1 100 100 ASN CB C 13 44.029 0.051 . . . . . . . 100 N CB . 53759 1 370 . 1 . 1 100 100 ASN N N 15 116.032 0.033 . . . . . . . 100 N N . 53759 1 371 . 1 . 1 101 101 VAL H H 1 6.879 0.002 . . . . . . . 101 V HN . 53759 1 372 . 1 . 1 101 101 VAL CA C 13 58.592 0.015 . . . . . . . 101 V CA . 53759 1 373 . 1 . 1 101 101 VAL CB C 13 36.050 0.012 . . . . . . . 101 V CB . 53759 1 374 . 1 . 1 101 101 VAL N N 15 110.981 0.018 . . . . . . . 101 V N . 53759 1 375 . 1 . 1 102 102 THR H H 1 6.616 0.003 . . . . . . . 102 T HN . 53759 1 376 . 1 . 1 102 102 THR CA C 13 56.336 0.000 . . . . . . . 102 T CA . 53759 1 377 . 1 . 1 102 102 THR CB C 13 71.676 0.000 . . . . . . . 102 T CB . 53759 1 378 . 1 . 1 102 102 THR N N 15 109.209 0.017 . . . . . . . 102 T N . 53759 1 379 . 1 . 1 103 103 PRO CA C 13 60.886 0.011 . . . . . . . 103 P CA . 53759 1 380 . 1 . 1 103 103 PRO CB C 13 32.301 0.000 . . . . . . . 103 P CB . 53759 1 381 . 1 . 1 104 104 PHE H H 1 7.638 0.001 . . . . . . . 104 F HN . 53759 1 382 . 1 . 1 104 104 PHE CA C 13 57.546 0.023 . . . . . . . 104 F CA . 53759 1 383 . 1 . 1 104 104 PHE CB C 13 42.479 0.051 . . . . . . . 104 F CB . 53759 1 384 . 1 . 1 104 104 PHE N N 15 116.885 0.013 . . . . . . . 104 F N . 53759 1 385 . 1 . 1 105 105 LYS H H 1 9.310 0.001 . . . . . . . 105 K HN . 53759 1 386 . 1 . 1 105 105 LYS CA C 13 54.347 0.024 . . . . . . . 105 K CA . 53759 1 387 . 1 . 1 105 105 LYS CB C 13 34.472 0.018 . . . . . . . 105 K CB . 53759 1 388 . 1 . 1 105 105 LYS N N 15 121.489 0.037 . . . . . . . 105 K N . 53759 1 389 . 1 . 1 106 106 TYR H H 1 8.314 0.001 . . . . . . . 106 Y HN . 53759 1 390 . 1 . 1 106 106 TYR CA C 13 59.033 0.011 . . . . . . . 106 Y CA . 53759 1 391 . 1 . 1 106 106 TYR CB C 13 38.830 0.008 . . . . . . . 106 Y CB . 53759 1 392 . 1 . 1 106 106 TYR N N 15 119.189 0.009 . . . . . . . 106 Y N . 53759 1 393 . 1 . 1 107 107 ALA H H 1 8.717 0.002 . . . . . . . 107 A HN . 53759 1 394 . 1 . 1 107 107 ALA CA C 13 51.143 0.000 . . . . . . . 107 A CA . 53759 1 395 . 1 . 1 107 107 ALA CB C 13 21.684 0.013 . . . . . . . 107 A CB . 53759 1 396 . 1 . 1 107 107 ALA N N 15 124.032 0.022 . . . . . . . 107 A N . 53759 1 397 . 1 . 1 108 108 ALA H H 1 9.256 0.002 . . . . . . . 108 A HN . 53759 1 398 . 1 . 1 108 108 ALA CA C 13 53.977 0.003 . . . . . . . 108 A CA . 53759 1 399 . 1 . 1 108 108 ALA CB C 13 18.252 0.024 . . . . . . . 108 A CB . 53759 1 400 . 1 . 1 108 108 ALA N N 15 124.280 0.020 . . . . . . . 108 A N . 53759 1 401 . 1 . 1 109 109 GLY H H 1 7.221 0.000 . . . . . . . 109 G HN . 53759 1 402 . 1 . 1 109 109 GLY CA C 13 44.833 0.009 . . . . . . . 109 G CA . 53759 1 403 . 1 . 1 109 109 GLY N N 15 102.411 0.012 . . . . . . . 109 G N . 53759 1 404 . 1 . 1 110 110 ALA H H 1 7.997 0.000 . . . . . . . 110 A HN . 53759 1 405 . 1 . 1 110 110 ALA CA C 13 51.134 0.011 . . . . . . . 110 A CA . 53759 1 406 . 1 . 1 110 110 ALA CB C 13 22.942 0.010 . . . . . . . 110 A CB . 53759 1 407 . 1 . 1 110 110 ALA N N 15 119.516 0.011 . . . . . . . 110 A N . 53759 1 408 . 1 . 1 111 111 LYS H H 1 8.839 0.001 . . . . . . . 111 K HN . 53759 1 409 . 1 . 1 111 111 LYS CA C 13 54.069 0.017 . . . . . . . 111 K CA . 53759 1 410 . 1 . 1 111 111 LYS CB C 13 36.386 0.009 . . . . . . . 111 K CB . 53759 1 411 . 1 . 1 111 111 LYS N N 15 118.473 0.008 . . . . . . . 111 K N . 53759 1 412 . 1 . 1 112 112 ALA H H 1 8.550 0.001 . . . . . . . 112 A HN . 53759 1 413 . 1 . 1 112 112 ALA CA C 13 53.548 0.008 . . . . . . . 112 A CA . 53759 1 414 . 1 . 1 112 112 ALA CB C 13 17.718 0.051 . . . . . . . 112 A CB . 53759 1 415 . 1 . 1 112 112 ALA N N 15 122.118 0.013 . . . . . . . 112 A N . 53759 1 416 . 1 . 1 113 113 GLY H H 1 9.202 0.001 . . . . . . . 113 G HN . 53759 1 417 . 1 . 1 113 113 GLY CA C 13 44.962 0.054 . . . . . . . 113 G CA . 53759 1 418 . 1 . 1 113 113 GLY N N 15 111.975 0.023 . . . . . . . 113 G N . 53759 1 419 . 1 . 1 114 114 GLU H H 1 7.719 0.001 . . . . . . . 114 E HN . 53759 1 420 . 1 . 1 114 114 GLU CA C 13 56.198 0.000 . . . . . . . 114 E CA . 53759 1 421 . 1 . 1 114 114 GLU CB C 13 31.312 0.025 . . . . . . . 114 E CB . 53759 1 422 . 1 . 1 114 114 GLU N N 15 120.736 0.007 . . . . . . . 114 E N . 53759 1 423 . 1 . 1 115 115 ARG H H 1 8.677 0.000 . . . . . . . 115 R HN . 53759 1 424 . 1 . 1 115 115 ARG CA C 13 56.476 0.000 . . . . . . . 115 R CA . 53759 1 425 . 1 . 1 115 115 ARG CB C 13 30.932 0.000 . . . . . . . 115 R CB . 53759 1 426 . 1 . 1 115 115 ARG N N 15 122.028 0.008 . . . . . . . 115 R N . 53759 1 427 . 1 . 1 116 116 ILE H H 1 9.005 0.004 . . . . . . . 116 I HN . 53759 1 428 . 1 . 1 116 116 ILE CA C 13 56.626 0.015 . . . . . . . 116 I CA . 53759 1 429 . 1 . 1 116 116 ILE CB C 13 43.210 0.104 . . . . . . . 116 I CB . 53759 1 430 . 1 . 1 116 116 ILE N N 15 117.556 0.028 . . . . . . . 116 I N . 53759 1 431 . 1 . 1 117 117 LYS H H 1 8.975 0.001 . . . . . . . 117 K HN . 53759 1 432 . 1 . 1 117 117 LYS CA C 13 54.096 0.000 . . . . . . . 117 K CA . 53759 1 433 . 1 . 1 117 117 LYS CB C 13 35.671 0.112 . . . . . . . 117 K CB . 53759 1 434 . 1 . 1 117 117 LYS N N 15 118.405 0.017 . . . . . . . 117 K N . 53759 1 435 . 1 . 1 118 118 VAL H H 1 9.386 0.003 . . . . . . . 118 V HN . 53759 1 436 . 1 . 1 118 118 VAL CA C 13 61.097 0.003 . . . . . . . 118 V CA . 53759 1 437 . 1 . 1 118 118 VAL CB C 13 33.277 0.023 . . . . . . . 118 V CB . 53759 1 438 . 1 . 1 118 118 VAL N N 15 123.735 0.037 . . . . . . . 118 V N . 53759 1 439 . 1 . 1 119 119 ILE H H 1 7.003 0.003 . . . . . . . 119 I HN . 53759 1 440 . 1 . 1 119 119 ILE CA C 13 59.137 0.017 . . . . . . . 119 I CA . 53759 1 441 . 1 . 1 119 119 ILE CB C 13 40.921 0.051 . . . . . . . 119 I CB . 53759 1 442 . 1 . 1 119 119 ILE N N 15 125.531 0.020 . . . . . . . 119 I N . 53759 1 443 . 1 . 1 120 120 GLY H H 1 8.072 0.002 . . . . . . . 120 G HN . 53759 1 444 . 1 . 1 120 120 GLY CA C 13 47.061 0.013 . . . . . . . 120 G CA . 53759 1 445 . 1 . 1 120 120 GLY N N 15 108.470 0.014 . . . . . . . 120 G N . 53759 1 446 . 1 . 1 121 121 TYR H H 1 7.521 0.003 . . . . . . . 121 Y HN . 53759 1 447 . 1 . 1 121 121 TYR CA C 13 56.065 0.000 . . . . . . . 121 Y CA . 53759 1 448 . 1 . 1 121 121 TYR N N 15 120.428 0.026 . . . . . . . 121 Y N . 53759 1 449 . 1 . 1 132 132 TYR H H 1 8.563 0.003 . . . . . . . 132 Y HN . 53759 1 450 . 1 . 1 132 132 TYR CA C 13 56.723 0.007 . . . . . . . 132 Y CA . 53759 1 451 . 1 . 1 132 132 TYR CB C 13 42.605 0.011 . . . . . . . 132 Y CB . 53759 1 452 . 1 . 1 132 132 TYR N N 15 121.982 0.014 . . . . . . . 132 Y N . 53759 1 453 . 1 . 1 133 133 GLU H H 1 9.295 0.009 . . . . . . . 133 E HN . 53759 1 454 . 1 . 1 133 133 GLU CA C 13 54.634 0.000 . . . . . . . 133 E CA . 53759 1 455 . 1 . 1 133 133 GLU CB C 13 33.693 0.116 . . . . . . . 133 E CB . 53759 1 456 . 1 . 1 133 133 GLU N N 15 121.684 0.089 . . . . . . . 133 E N . 53759 1 457 . 1 . 1 134 134 SER H H 1 8.662 0.005 . . . . . . . 134 S HN . 53759 1 458 . 1 . 1 134 134 SER CA C 13 54.673 0.011 . . . . . . . 134 S CA . 53759 1 459 . 1 . 1 134 134 SER CB C 13 65.125 0.052 . . . . . . . 134 S CB . 53759 1 460 . 1 . 1 134 134 SER N N 15 119.545 0.027 . . . . . . . 134 S N . 53759 1 461 . 1 . 1 135 135 THR H H 1 8.234 0.006 . . . . . . . 135 T HN . 53759 1 462 . 1 . 1 135 135 THR CA C 13 59.934 0.009 . . . . . . . 135 T CA . 53759 1 463 . 1 . 1 135 135 THR CB C 13 72.265 0.013 . . . . . . . 135 T CB . 53759 1 464 . 1 . 1 135 135 THR N N 15 116.420 0.025 . . . . . . . 135 T N . 53759 1 465 . 1 . 1 136 136 GLY H H 1 7.866 0.002 . . . . . . . 136 G HN . 53759 1 466 . 1 . 1 136 136 GLY CA C 13 45.852 0.000 . . . . . . . 136 G CA . 53759 1 467 . 1 . 1 136 136 GLY N N 15 106.442 0.025 . . . . . . . 136 G N . 53759 1 468 . 1 . 1 137 137 PRO CA C 13 61.573 0.000 . . . . . . . 137 P CA . 53759 1 469 . 1 . 1 137 137 PRO CB C 13 32.046 0.000 . . . . . . . 137 P CB . 53759 1 470 . 1 . 1 138 138 VAL H H 1 8.918 0.001 . . . . . . . 138 V HN . 53759 1 471 . 1 . 1 138 138 VAL CA C 13 63.844 0.008 . . . . . . . 138 V CA . 53759 1 472 . 1 . 1 138 138 VAL CB C 13 32.276 0.027 . . . . . . . 138 V CB . 53759 1 473 . 1 . 1 138 138 VAL N N 15 119.782 0.029 . . . . . . . 138 V N . 53759 1 474 . 1 . 1 139 139 MET H H 1 10.027 0.006 . . . . . . . 139 M HN . 53759 1 475 . 1 . 1 139 139 MET CA C 13 54.361 0.003 . . . . . . . 139 M CA . 53759 1 476 . 1 . 1 139 139 MET CB C 13 30.853 0.000 . . . . . . . 139 M CB . 53759 1 477 . 1 . 1 139 139 MET N N 15 128.606 0.011 . . . . . . . 139 M N . 53759 1 478 . 1 . 1 140 140 SER H H 1 7.587 0.003 . . . . . . . 140 S HN . 53759 1 479 . 1 . 1 140 140 SER CA C 13 58.064 0.004 . . . . . . . 140 S CA . 53759 1 480 . 1 . 1 140 140 SER CB C 13 64.161 0.008 . . . . . . . 140 S CB . 53759 1 481 . 1 . 1 140 140 SER N N 15 111.341 0.009 . . . . . . . 140 S N . 53759 1 482 . 1 . 1 141 141 VAL H H 1 8.300 0.001 . . . . . . . 141 V HN . 53759 1 483 . 1 . 1 141 141 VAL CA C 13 62.110 0.012 . . . . . . . 141 V CA . 53759 1 484 . 1 . 1 141 141 VAL CB C 13 34.288 0.036 . . . . . . . 141 V CB . 53759 1 485 . 1 . 1 141 141 VAL N N 15 121.966 0.007 . . . . . . . 141 V N . 53759 1 486 . 1 . 1 142 142 GLU H H 1 8.687 0.001 . . . . . . . 142 E HN . 53759 1 487 . 1 . 1 142 142 GLU CA C 13 55.576 0.000 . . . . . . . 142 E CA . 53759 1 488 . 1 . 1 142 142 GLU CB C 13 31.776 0.056 . . . . . . . 142 E CB . 53759 1 489 . 1 . 1 142 142 GLU N N 15 127.692 0.011 . . . . . . . 142 E N . 53759 1 490 . 1 . 1 143 143 GLY H H 1 9.110 0.002 . . . . . . . 143 G HN . 53759 1 491 . 1 . 1 143 143 GLY CA C 13 47.068 0.036 . . . . . . . 143 G CA . 53759 1 492 . 1 . 1 143 143 GLY N N 15 119.236 0.018 . . . . . . . 143 G N . 53759 1 493 . 1 . 1 144 144 SER H H 1 8.646 0.001 . . . . . . . 144 S HN . 53759 1 494 . 1 . 1 144 144 SER CA C 13 57.355 0.006 . . . . . . . 144 S CA . 53759 1 495 . 1 . 1 144 144 SER CB C 13 63.329 0.050 . . . . . . . 144 S CB . 53759 1 496 . 1 . 1 144 144 SER N N 15 118.534 0.015 . . . . . . . 144 S N . 53759 1 497 . 1 . 1 145 145 SER H H 1 8.717 0.002 . . . . . . . 145 S HN . 53759 1 498 . 1 . 1 145 145 SER CA C 13 57.244 0.019 . . . . . . . 145 S CA . 53759 1 499 . 1 . 1 145 145 SER CB C 13 64.178 0.051 . . . . . . . 145 S CB . 53759 1 500 . 1 . 1 145 145 SER N N 15 120.855 0.007 . . . . . . . 145 S N . 53759 1 501 . 1 . 1 146 146 ILE H H 1 8.304 0.001 . . . . . . . 146 I HN . 53759 1 502 . 1 . 1 146 146 ILE CA C 13 58.931 0.019 . . . . . . . 146 I CA . 53759 1 503 . 1 . 1 146 146 ILE CB C 13 41.368 0.000 . . . . . . . 146 I CB . 53759 1 504 . 1 . 1 146 146 ILE N N 15 125.206 0.027 . . . . . . . 146 I N . 53759 1 505 . 1 . 1 147 147 VAL H H 1 8.527 0.002 . . . . . . . 147 V HN . 53759 1 506 . 1 . 1 147 147 VAL CA C 13 60.259 0.006 . . . . . . . 147 V CA . 53759 1 507 . 1 . 1 147 147 VAL CB C 13 34.084 0.010 . . . . . . . 147 V CB . 53759 1 508 . 1 . 1 147 147 VAL N N 15 128.123 0.024 . . . . . . . 147 V N . 53759 1 509 . 1 . 1 148 148 TYR H H 1 7.922 0.001 . . . . . . . 148 Y HN . 53759 1 510 . 1 . 1 148 148 TYR CA C 13 53.385 0.009 . . . . . . . 148 Y CA . 53759 1 511 . 1 . 1 148 148 TYR CB C 13 40.429 0.008 . . . . . . . 148 Y CB . 53759 1 512 . 1 . 1 148 148 TYR N N 15 124.865 0.020 . . . . . . . 148 Y N . 53759 1 513 . 1 . 1 149 149 SER H H 1 8.487 0.004 . . . . . . . 149 S HN . 53759 1 514 . 1 . 1 149 149 SER CA C 13 54.902 0.016 . . . . . . . 149 S CA . 53759 1 515 . 1 . 1 149 149 SER CB C 13 62.328 0.026 . . . . . . . 149 S CB . 53759 1 516 . 1 . 1 149 149 SER N N 15 115.707 0.026 . . . . . . . 149 S N . 53759 1 517 . 1 . 1 150 150 ALA H H 1 6.929 0.004 . . . . . . . 150 A HN . 53759 1 518 . 1 . 1 150 150 ALA CA C 13 50.044 0.007 . . . . . . . 150 A CA . 53759 1 519 . 1 . 1 150 150 ALA CB C 13 21.178 0.096 . . . . . . . 150 A CB . 53759 1 520 . 1 . 1 150 150 ALA N N 15 126.441 0.002 . . . . . . . 150 A N . 53759 1 521 . 1 . 1 151 151 HIS H H 1 8.658 0.005 . . . . . . . 151 H HN . 53759 1 522 . 1 . 1 151 151 HIS CA C 13 57.930 0.034 . . . . . . . 151 H CA . 53759 1 523 . 1 . 1 151 151 HIS CB C 13 29.150 0.014 . . . . . . . 151 H CB . 53759 1 524 . 1 . 1 151 151 HIS N N 15 120.905 0.023 . . . . . . . 151 H N . 53759 1 525 . 1 . 1 152 152 THR H H 1 8.762 0.004 . . . . . . . 152 T HN . 53759 1 526 . 1 . 1 152 152 THR CA C 13 59.993 0.008 . . . . . . . 152 T CA . 53759 1 527 . 1 . 1 152 152 THR CB C 13 71.911 0.003 . . . . . . . 152 T CB . 53759 1 528 . 1 . 1 152 152 THR N N 15 123.918 0.020 . . . . . . . 152 T N . 53759 1 529 . 1 . 1 153 153 GLU H H 1 7.939 0.004 . . . . . . . 153 E HN . 53759 1 530 . 1 . 1 153 153 GLU CA C 13 53.942 0.000 . . . . . . . 153 E CA . 53759 1 531 . 1 . 1 153 153 GLU CB C 13 32.945 0.000 . . . . . . . 153 E CB . 53759 1 532 . 1 . 1 153 153 GLU N N 15 116.650 0.016 . . . . . . . 153 E N . 53759 1 533 . 1 . 1 155 155 GLY CA C 13 46.533 0.061 . . . . . . . 155 G CA . 53759 1 534 . 1 . 1 156 156 ASN H H 1 8.089 0.002 . . . . . . . 156 N HN . 53759 1 535 . 1 . 1 156 156 ASN CA C 13 56.425 0.019 . . . . . . . 156 N CA . 53759 1 536 . 1 . 1 156 156 ASN CB C 13 40.333 0.000 . . . . . . . 156 N CB . 53759 1 537 . 1 . 1 156 156 ASN N N 15 110.926 0.043 . . . . . . . 156 N N . 53759 1 538 . 1 . 1 157 157 SER H H 1 8.424 0.003 . . . . . . . 157 S HN . 53759 1 539 . 1 . 1 157 157 SER CA C 13 63.720 0.021 . . . . . . . 157 S CA . 53759 1 540 . 1 . 1 157 157 SER N N 15 122.767 0.020 . . . . . . . 157 S N . 53759 1 541 . 1 . 1 158 158 GLY H H 1 8.293 0.001 . . . . . . . 158 G HN . 53759 1 542 . 1 . 1 158 158 GLY CA C 13 45.674 0.013 . . . . . . . 158 G CA . 53759 1 543 . 1 . 1 158 158 GLY N N 15 115.808 0.005 . . . . . . . 158 G N . 53759 1 544 . 1 . 1 159 159 SER H H 1 8.454 0.001 . . . . . . . 159 S HN . 53759 1 545 . 1 . 1 159 159 SER CA C 13 58.801 0.000 . . . . . . . 159 S CA . 53759 1 546 . 1 . 1 159 159 SER CB C 13 64.200 0.000 . . . . . . . 159 S CB . 53759 1 547 . 1 . 1 159 159 SER N N 15 112.970 0.023 . . . . . . . 159 S N . 53759 1 548 . 1 . 1 160 160 PRO CA C 13 63.237 0.001 . . . . . . . 160 P CA . 53759 1 549 . 1 . 1 160 160 PRO CB C 13 30.815 0.011 . . . . . . . 160 P CB . 53759 1 550 . 1 . 1 161 161 VAL H H 1 7.595 0.002 . . . . . . . 161 V HN . 53759 1 551 . 1 . 1 161 161 VAL CA C 13 61.174 0.003 . . . . . . . 161 V CA . 53759 1 552 . 1 . 1 161 161 VAL CB C 13 31.704 0.013 . . . . . . . 161 V CB . 53759 1 553 . 1 . 1 161 161 VAL N N 15 120.110 0.012 . . . . . . . 161 V N . 53759 1 554 . 1 . 1 162 162 LEU H H 1 9.098 0.003 . . . . . . . 162 L HN . 53759 1 555 . 1 . 1 162 162 LEU CA C 13 52.296 0.009 . . . . . . . 162 L CA . 53759 1 556 . 1 . 1 162 162 LEU CB C 13 45.700 0.046 . . . . . . . 162 L CB . 53759 1 557 . 1 . 1 162 162 LEU N N 15 126.339 0.037 . . . . . . . 162 L N . 53759 1 558 . 1 . 1 163 163 ASN H H 1 8.594 0.002 . . . . . . . 163 N HN . 53759 1 559 . 1 . 1 163 163 ASN CA C 13 50.631 0.002 . . . . . . . 163 N CA . 53759 1 560 . 1 . 1 163 163 ASN CB C 13 38.846 0.009 . . . . . . . 163 N CB . 53759 1 561 . 1 . 1 163 163 ASN N N 15 116.384 0.022 . . . . . . . 163 N N . 53759 1 562 . 1 . 1 164 164 SER H H 1 8.738 0.001 . . . . . . . 164 S HN . 53759 1 563 . 1 . 1 164 164 SER CA C 13 61.232 0.022 . . . . . . . 164 S CA . 53759 1 564 . 1 . 1 164 164 SER CB C 13 63.004 0.023 . . . . . . . 164 S CB . 53759 1 565 . 1 . 1 164 164 SER N N 15 112.893 0.011 . . . . . . . 164 S N . 53759 1 566 . 1 . 1 165 165 ASN H H 1 7.652 0.001 . . . . . . . 165 N HN . 53759 1 567 . 1 . 1 165 165 ASN CA C 13 52.402 0.008 . . . . . . . 165 N CA . 53759 1 568 . 1 . 1 165 165 ASN CB C 13 38.911 0.014 . . . . . . . 165 N CB . 53759 1 569 . 1 . 1 165 165 ASN N N 15 119.277 0.009 . . . . . . . 165 N N . 53759 1 570 . 1 . 1 166 166 ASN H H 1 8.328 0.002 . . . . . . . 166 N HN . 53759 1 571 . 1 . 1 166 166 ASN CA C 13 55.846 0.007 . . . . . . . 166 N CA . 53759 1 572 . 1 . 1 166 166 ASN CB C 13 36.510 0.115 . . . . . . . 166 N CB . 53759 1 573 . 1 . 1 166 166 ASN N N 15 111.464 0.013 . . . . . . . 166 N N . 53759 1 574 . 1 . 1 167 167 GLU H H 1 7.887 0.005 . . . . . . . 167 E HN . 53759 1 575 . 1 . 1 167 167 GLU CA C 13 53.967 0.014 . . . . . . . 167 E CA . 53759 1 576 . 1 . 1 167 167 GLU CB C 13 30.394 0.039 . . . . . . . 167 E CB . 53759 1 577 . 1 . 1 167 167 GLU N N 15 115.163 0.028 . . . . . . . 167 E N . 53759 1 578 . 1 . 1 168 168 LEU H H 1 9.197 0.001 . . . . . . . 168 L HN . 53759 1 579 . 1 . 1 168 168 LEU CA C 13 56.181 0.007 . . . . . . . 168 L CA . 53759 1 580 . 1 . 1 168 168 LEU CB C 13 45.254 0.136 . . . . . . . 168 L CB . 53759 1 581 . 1 . 1 168 168 LEU N N 15 121.044 0.019 . . . . . . . 168 L N . 53759 1 582 . 1 . 1 169 169 VAL H H 1 9.290 0.003 . . . . . . . 169 V HN . 53759 1 583 . 1 . 1 169 169 VAL CA C 13 61.618 0.005 . . . . . . . 169 V CA . 53759 1 584 . 1 . 1 169 169 VAL CB C 13 33.597 0.144 . . . . . . . 169 V CB . 53759 1 585 . 1 . 1 169 169 VAL N N 15 119.488 0.027 . . . . . . . 169 V N . 53759 1 586 . 1 . 1 170 170 GLY H H 1 7.748 0.001 . . . . . . . 170 G HN . 53759 1 587 . 1 . 1 170 170 GLY CA C 13 46.897 0.046 . . . . . . . 170 G CA . 53759 1 588 . 1 . 1 170 170 GLY N N 15 105.971 0.042 . . . . . . . 170 G N . 53759 1 589 . 1 . 1 171 171 ILE H H 1 8.301 0.004 . . . . . . . 171 I HN . 53759 1 590 . 1 . 1 171 171 ILE CA C 13 57.519 0.029 . . . . . . . 171 I CA . 53759 1 591 . 1 . 1 171 171 ILE N N 15 114.877 0.015 . . . . . . . 171 I N . 53759 1 592 . 1 . 1 172 172 HIS H H 1 9.507 0.002 . . . . . . . 172 H HN . 53759 1 593 . 1 . 1 172 172 HIS CA C 13 59.180 0.032 . . . . . . . 172 H CA . 53759 1 594 . 1 . 1 172 172 HIS CB C 13 33.256 0.021 . . . . . . . 172 H CB . 53759 1 595 . 1 . 1 172 172 HIS N N 15 130.614 0.017 . . . . . . . 172 H N . 53759 1 596 . 1 . 1 173 173 PHE H H 1 9.077 0.005 . . . . . . . 173 F HN . 53759 1 597 . 1 . 1 173 173 PHE CA C 13 58.252 0.016 . . . . . . . 173 F CA . 53759 1 598 . 1 . 1 173 173 PHE CB C 13 44.199 0.045 . . . . . . . 173 F CB . 53759 1 599 . 1 . 1 173 173 PHE N N 15 123.997 0.021 . . . . . . . 173 F N . 53759 1 600 . 1 . 1 174 174 ALA H H 1 7.248 0.006 . . . . . . . 174 A HN . 53759 1 601 . 1 . 1 174 174 ALA CA C 13 51.877 0.004 . . . . . . . 174 A CA . 53759 1 602 . 1 . 1 174 174 ALA CB C 13 22.971 0.019 . . . . . . . 174 A CB . 53759 1 603 . 1 . 1 174 174 ALA N N 15 122.909 0.019 . . . . . . . 174 A N . 53759 1 604 . 1 . 1 175 175 SER H H 1 8.288 0.002 . . . . . . . 175 S HN . 53759 1 605 . 1 . 1 175 175 SER CA C 13 57.503 0.029 . . . . . . . 175 S CA . 53759 1 606 . 1 . 1 175 175 SER CB C 13 65.335 0.062 . . . . . . . 175 S CB . 53759 1 607 . 1 . 1 175 175 SER N N 15 110.339 0.017 . . . . . . . 175 S N . 53759 1 608 . 1 . 1 176 176 ASP H H 1 8.672 0.003 . . . . . . . 176 D HN . 53759 1 609 . 1 . 1 176 176 ASP CA C 13 56.045 0.011 . . . . . . . 176 D CA . 53759 1 610 . 1 . 1 176 176 ASP CB C 13 42.061 0.014 . . . . . . . 176 D CB . 53759 1 611 . 1 . 1 176 176 ASP N N 15 126.424 0.030 . . . . . . . 176 D N . 53759 1 612 . 1 . 1 177 177 VAL H H 1 8.367 0.001 . . . . . . . 177 V HN . 53759 1 613 . 1 . 1 177 177 VAL CA C 13 61.787 0.005 . . . . . . . 177 V CA . 53759 1 614 . 1 . 1 177 177 VAL CB C 13 32.496 0.000 . . . . . . . 177 V CB . 53759 1 615 . 1 . 1 177 177 VAL N N 15 114.591 0.021 . . . . . . . 177 V N . 53759 1 616 . 1 . 1 178 178 LYS H H 1 7.378 0.001 . . . . . . . 178 K HN . 53759 1 617 . 1 . 1 178 178 LYS CA C 13 56.186 0.002 . . . . . . . 178 K CA . 53759 1 618 . 1 . 1 178 178 LYS CB C 13 33.033 0.011 . . . . . . . 178 K CB . 53759 1 619 . 1 . 1 178 178 LYS N N 15 121.744 0.005 . . . . . . . 178 K N . 53759 1 620 . 1 . 1 179 179 ASN H H 1 8.837 0.003 . . . . . . . 179 N HN . 53759 1 621 . 1 . 1 179 179 ASN CA C 13 52.623 0.052 . . . . . . . 179 N CA . 53759 1 622 . 1 . 1 179 179 ASN CB C 13 36.872 0.004 . . . . . . . 179 N CB . 53759 1 623 . 1 . 1 179 179 ASN N N 15 121.790 0.011 . . . . . . . 179 N N . 53759 1 624 . 1 . 1 180 180 ASP H H 1 7.722 0.002 . . . . . . . 180 D HN . 53759 1 625 . 1 . 1 180 180 ASP CA C 13 53.862 0.006 . . . . . . . 180 D CA . 53759 1 626 . 1 . 1 180 180 ASP CB C 13 43.728 0.012 . . . . . . . 180 D CB . 53759 1 627 . 1 . 1 180 180 ASP N N 15 124.691 0.021 . . . . . . . 180 D N . 53759 1 628 . 1 . 1 181 181 ASP H H 1 9.293 0.001 . . . . . . . 181 D HN . 53759 1 629 . 1 . 1 181 181 ASP CA C 13 56.753 0.007 . . . . . . . 181 D CA . 53759 1 630 . 1 . 1 181 181 ASP CB C 13 40.730 0.086 . . . . . . . 181 D CB . 53759 1 631 . 1 . 1 181 181 ASP N N 15 129.646 0.034 . . . . . . . 181 D N . 53759 1 632 . 1 . 1 182 182 ASN H H 1 8.951 0.002 . . . . . . . 182 N HN . 53759 1 633 . 1 . 1 182 182 ASN CA C 13 52.104 0.017 . . . . . . . 182 N CA . 53759 1 634 . 1 . 1 182 182 ASN CB C 13 38.360 0.075 . . . . . . . 182 N CB . 53759 1 635 . 1 . 1 182 182 ASN N N 15 116.625 0.015 . . . . . . . 182 N N . 53759 1 636 . 1 . 1 183 183 ARG H H 1 7.231 0.002 . . . . . . . 183 R HN . 53759 1 637 . 1 . 1 183 183 ARG CA C 13 55.257 0.003 . . . . . . . 183 R CA . 53759 1 638 . 1 . 1 183 183 ARG CB C 13 29.742 0.055 . . . . . . . 183 R CB . 53759 1 639 . 1 . 1 183 183 ARG N N 15 119.348 0.030 . . . . . . . 183 R N . 53759 1 640 . 1 . 1 184 184 ASN H H 1 8.728 0.001 . . . . . . . 184 N HN . 53759 1 641 . 1 . 1 184 184 ASN CA C 13 52.510 0.000 . . . . . . . 184 N CA . 53759 1 642 . 1 . 1 184 184 ASN CB C 13 40.373 0.018 . . . . . . . 184 N CB . 53759 1 643 . 1 . 1 184 184 ASN N N 15 120.600 0.007 . . . . . . . 184 N N . 53759 1 644 . 1 . 1 185 185 ALA H H 1 8.327 0.001 . . . . . . . 185 A HN . 53759 1 645 . 1 . 1 185 185 ALA CA C 13 50.224 0.012 . . . . . . . 185 A CA . 53759 1 646 . 1 . 1 185 185 ALA CB C 13 23.521 0.022 . . . . . . . 185 A CB . 53759 1 647 . 1 . 1 185 185 ALA N N 15 121.802 0.042 . . . . . . . 185 A N . 53759 1 648 . 1 . 1 186 186 TYR H H 1 8.047 0.003 . . . . . . . 186 Y HN . 53759 1 649 . 1 . 1 186 186 TYR CA C 13 57.609 0.017 . . . . . . . 186 Y CA . 53759 1 650 . 1 . 1 186 186 TYR CB C 13 40.737 0.039 . . . . . . . 186 Y CB . 53759 1 651 . 1 . 1 186 186 TYR N N 15 114.997 0.011 . . . . . . . 186 Y N . 53759 1 652 . 1 . 1 187 187 GLY H H 1 9.243 0.002 . . . . . . . 187 G HN . 53759 1 653 . 1 . 1 187 187 GLY CA C 13 44.753 0.032 . . . . . . . 187 G CA . 53759 1 654 . 1 . 1 187 187 GLY N N 15 109.752 0.007 . . . . . . . 187 G N . 53759 1 655 . 1 . 1 188 188 VAL H H 1 9.432 0.001 . . . . . . . 188 V HN . 53759 1 656 . 1 . 1 188 188 VAL CA C 13 60.836 0.016 . . . . . . . 188 V CA . 53759 1 657 . 1 . 1 188 188 VAL CB C 13 32.419 0.154 . . . . . . . 188 V CB . 53759 1 658 . 1 . 1 188 188 VAL N N 15 123.018 0.012 . . . . . . . 188 V N . 53759 1 659 . 1 . 1 189 189 TYR H H 1 8.399 0.003 . . . . . . . 189 Y HN . 53759 1 660 . 1 . 1 189 189 TYR CA C 13 56.194 0.008 . . . . . . . 189 Y CA . 53759 1 661 . 1 . 1 189 189 TYR CB C 13 40.212 0.028 . . . . . . . 189 Y CB . 53759 1 662 . 1 . 1 189 189 TYR N N 15 129.031 0.028 . . . . . . . 189 Y N . 53759 1 663 . 1 . 1 190 190 PHE H H 1 6.519 0.001 . . . . . . . 190 F HN . 53759 1 664 . 1 . 1 190 190 PHE CA C 13 59.281 0.000 . . . . . . . 190 F CA . 53759 1 665 . 1 . 1 190 190 PHE CB C 13 37.108 0.096 . . . . . . . 190 F CB . 53759 1 666 . 1 . 1 190 190 PHE N N 15 121.586 0.013 . . . . . . . 190 F N . 53759 1 667 . 1 . 1 191 191 THR H H 1 7.221 0.001 . . . . . . . 191 T HN . 53759 1 668 . 1 . 1 191 191 THR CA C 13 59.439 0.139 . . . . . . . 191 T CA . 53759 1 669 . 1 . 1 191 191 THR CB C 13 67.582 0.000 . . . . . . . 191 T CB . 53759 1 670 . 1 . 1 191 191 THR N N 15 117.547 0.013 . . . . . . . 191 T N . 53759 1 671 . 1 . 1 192 192 PRO CA C 13 66.530 0.020 . . . . . . . 192 P CA . 53759 1 672 . 1 . 1 192 192 PRO CB C 13 31.986 0.000 . . . . . . . 192 P CB . 53759 1 673 . 1 . 1 193 193 GLU H H 1 9.202 0.001 . . . . . . . 193 E HN . 53759 1 674 . 1 . 1 193 193 GLU CA C 13 60.219 0.004 . . . . . . . 193 E CA . 53759 1 675 . 1 . 1 193 193 GLU CB C 13 28.566 0.020 . . . . . . . 193 E CB . 53759 1 676 . 1 . 1 193 193 GLU N N 15 116.888 0.010 . . . . . . . 193 E N . 53759 1 677 . 1 . 1 194 194 ILE H H 1 7.274 0.005 . . . . . . . 194 I HN . 53759 1 678 . 1 . 1 194 194 ILE CA C 13 65.209 0.007 . . . . . . . 194 I CA . 53759 1 679 . 1 . 1 194 194 ILE CB C 13 38.091 0.088 . . . . . . . 194 I CB . 53759 1 680 . 1 . 1 194 194 ILE N N 15 122.196 0.025 . . . . . . . 194 I N . 53759 1 681 . 1 . 1 195 195 LYS H H 1 8.473 0.002 . . . . . . . 195 K HN . 53759 1 682 . 1 . 1 195 195 LYS CA C 13 60.898 0.012 . . . . . . . 195 K CA . 53759 1 683 . 1 . 1 195 195 LYS CB C 13 32.470 0.038 . . . . . . . 195 K CB . 53759 1 684 . 1 . 1 195 195 LYS N N 15 118.509 0.024 . . . . . . . 195 K N . 53759 1 685 . 1 . 1 196 196 LYS H H 1 8.191 0.001 . . . . . . . 196 K HN . 53759 1 686 . 1 . 1 196 196 LYS CA C 13 59.645 0.016 . . . . . . . 196 K CA . 53759 1 687 . 1 . 1 196 196 LYS CB C 13 32.759 0.110 . . . . . . . 196 K CB . 53759 1 688 . 1 . 1 196 196 LYS N N 15 121.050 0.015 . . . . . . . 196 K N . 53759 1 689 . 1 . 1 197 197 PHE H H 1 7.239 0.001 . . . . . . . 197 F HN . 53759 1 690 . 1 . 1 197 197 PHE CA C 13 60.808 0.008 . . . . . . . 197 F CA . 53759 1 691 . 1 . 1 197 197 PHE CB C 13 39.027 0.054 . . . . . . . 197 F CB . 53759 1 692 . 1 . 1 197 197 PHE N N 15 119.244 0.010 . . . . . . . 197 F N . 53759 1 693 . 1 . 1 198 198 ILE H H 1 8.259 0.003 . . . . . . . 198 I HN . 53759 1 694 . 1 . 1 198 198 ILE CA C 13 66.419 0.005 . . . . . . . 198 I CA . 53759 1 695 . 1 . 1 198 198 ILE CB C 13 38.403 0.142 . . . . . . . 198 I CB . 53759 1 696 . 1 . 1 198 198 ILE N N 15 120.358 0.011 . . . . . . . 198 I N . 53759 1 697 . 1 . 1 199 199 ALA H H 1 8.124 0.002 . . . . . . . 199 A HN . 53759 1 698 . 1 . 1 199 199 ALA CA C 13 55.120 0.028 . . . . . . . 199 A CA . 53759 1 699 . 1 . 1 199 199 ALA CB C 13 18.101 0.105 . . . . . . . 199 A CB . 53759 1 700 . 1 . 1 199 199 ALA N N 15 119.001 0.016 . . . . . . . 199 A N . 53759 1 701 . 1 . 1 200 200 GLU H H 1 7.861 0.000 . . . . . . . 200 E HN . 53759 1 702 . 1 . 1 200 200 GLU CA C 13 57.622 0.015 . . . . . . . 200 E CA . 53759 1 703 . 1 . 1 200 200 GLU CB C 13 29.745 0.052 . . . . . . . 200 E CB . 53759 1 704 . 1 . 1 200 200 GLU N N 15 115.042 0.014 . . . . . . . 200 E N . 53759 1 705 . 1 . 1 201 201 ASN H H 1 7.499 0.003 . . . . . . . 201 N HN . 53759 1 706 . 1 . 1 201 201 ASN CA C 13 53.862 0.015 . . . . . . . 201 N CA . 53759 1 707 . 1 . 1 201 201 ASN CB C 13 40.766 0.110 . . . . . . . 201 N CB . 53759 1 708 . 1 . 1 201 201 ASN N N 15 116.316 0.019 . . . . . . . 201 N N . 53759 1 709 . 1 . 1 202 202 ILE H H 1 6.709 0.002 . . . . . . . 202 I HN . 53759 1 710 . 1 . 1 202 202 ILE CA C 13 61.036 0.017 . . . . . . . 202 I CA . 53759 1 711 . 1 . 1 202 202 ILE CB C 13 38.243 0.000 . . . . . . . 202 I CB . 53759 1 712 . 1 . 1 202 202 ILE N N 15 119.409 0.033 . . . . . . . 202 I N . 53759 1 713 . 1 . 1 203 203 ASP H H 1 7.190 0.003 . . . . . . . 203 D HN . 53759 1 714 . 1 . 1 203 203 ASP CA C 13 55.204 0.004 . . . . . . . 203 D CA . 53759 1 715 . 1 . 1 203 203 ASP CB C 13 41.893 0.010 . . . . . . . 203 D CB . 53759 1 716 . 1 . 1 203 203 ASP N N 15 128.648 0.016 . . . . . . . 203 D N . 53759 1 717 . 1 . 1 204 204 LYS H H 1 7.418 0.000 . . . . . . . 204 K HN . 53759 1 718 . 1 . 1 204 204 LYS CA C 13 57.661 0.000 . . . . . . . 204 K CA . 53759 1 719 . 1 . 1 204 204 LYS CB C 13 34.148 0.000 . . . . . . . 204 K CB . 53759 1 720 . 1 . 1 204 204 LYS N N 15 125.771 0.006 . . . . . . . 204 K N . 53759 1 stop_ save_