################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 15711 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 15711 1 2 '3D HNCO' . . . 15711 1 3 '3D HNCA' . . . 15711 1 4 '3D HNCACB' . . . 15711 1 5 '3D CBCA(CO)NH' . . . 15711 1 6 '3D (HCA)CO(CA)NH' . . . 15711 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 ALA C C 13 173.668 0.015 . 1 . . . . 1 A C . 15711 1 2 . 1 1 1 1 ALA CA C 13 51.979 0.010 . 1 . . . . 1 A CA . 15711 1 3 . 1 1 1 1 ALA CB C 13 20.319 0.028 . 1 . . . . 1 A CB . 15711 1 4 . 1 1 2 2 THR H H 1 8.534 0.003 . 1 . . . . 2 T H . 15711 1 5 . 1 1 2 2 THR C C 13 172.406 0.016 . 1 . . . . 2 T C . 15711 1 6 . 1 1 2 2 THR CA C 13 62.600 0.029 . 1 . . . . 2 T CA . 15711 1 7 . 1 1 2 2 THR N N 15 115.972 0.087 . 1 . . . . 2 T N . 15711 1 8 . 1 1 3 3 LYS H H 1 8.710 0.002 . 1 . . . . 3 K H . 15711 1 9 . 1 1 3 3 LYS C C 13 174.453 0.014 . 1 . . . . 3 K C . 15711 1 10 . 1 1 3 3 LYS CA C 13 55.020 0.029 . 1 . . . . 3 K CA . 15711 1 11 . 1 1 3 3 LYS CB C 13 36.633 0.014 . 1 . . . . 3 K CB . 15711 1 12 . 1 1 3 3 LYS N N 15 125.886 0.095 . 1 . . . . 3 K N . 15711 1 13 . 1 1 4 4 ALA H H 1 9.126 0.005 . 1 . . . . 4 A H . 15711 1 14 . 1 1 4 4 ALA C C 13 175.183 0.006 . 1 . . . . 4 A C . 15711 1 15 . 1 1 4 4 ALA CA C 13 50.654 0.025 . 1 . . . . 4 A CA . 15711 1 16 . 1 1 4 4 ALA CB C 13 23.749 0.013 . 1 . . . . 4 A CB . 15711 1 17 . 1 1 4 4 ALA N N 15 122.924 0.100 . 1 . . . . 4 A N . 15711 1 18 . 1 1 5 5 VAL H H 1 9.455 0.003 . 1 . . . . 5 V H . 15711 1 19 . 1 1 5 5 VAL C C 13 173.118 0.015 . 1 . . . . 5 V C . 15711 1 20 . 1 1 5 5 VAL CA C 13 60.381 0.014 . 1 . . . . 5 V CA . 15711 1 21 . 1 1 5 5 VAL CB C 13 36.424 0.025 . 1 . . . . 5 V CB . 15711 1 22 . 1 1 5 5 VAL N N 15 120.817 0.089 . 1 . . . . 5 V N . 15711 1 23 . 1 1 6 6 ALA H H 1 9.406 0.003 . 1 . . . . 6 A H . 15711 1 24 . 1 1 6 6 ALA C C 13 174.503 0.017 . 1 . . . . 6 A C . 15711 1 25 . 1 1 6 6 ALA CA C 13 50.966 0.028 . 1 . . . . 6 A CA . 15711 1 26 . 1 1 6 6 ALA CB C 13 23.635 0.008 . 1 . . . . 6 A CB . 15711 1 27 . 1 1 6 6 ALA N N 15 128.962 0.101 . 1 . . . . 6 A N . 15711 1 28 . 1 1 7 7 VAL H H 1 9.214 0.003 . 1 . . . . 7 V H . 15711 1 29 . 1 1 7 7 VAL C C 13 175.672 0.005 . 1 . . . . 7 V C . 15711 1 30 . 1 1 7 7 VAL CA C 13 61.998 0.064 . 1 . . . . 7 V CA . 15711 1 31 . 1 1 7 7 VAL CB C 13 31.802 0.030 . 1 . . . . 7 V CB . 15711 1 32 . 1 1 7 7 VAL N N 15 125.422 0.078 . 1 . . . . 7 V N . 15711 1 33 . 1 1 8 8 LEU H H 1 8.755 0.005 . 1 . . . . 8 L H . 15711 1 34 . 1 1 8 8 LEU C C 13 176.029 0.030 . 1 . . . . 8 L C . 15711 1 35 . 1 1 8 8 LEU CA C 13 54.107 0.031 . 1 . . . . 8 L CA . 15711 1 36 . 1 1 8 8 LEU CB C 13 43.199 0.035 . 1 . . . . 8 L CB . 15711 1 37 . 1 1 8 8 LEU N N 15 126.421 0.080 . 1 . . . . 8 L N . 15711 1 38 . 1 1 9 9 LYS H H 1 8.302 0.005 . 1 . . . . 9 K H . 15711 1 39 . 1 1 9 9 LYS C C 13 175.417 0.013 . 1 . . . . 9 K C . 15711 1 40 . 1 1 9 9 LYS CA C 13 55.330 0.064 . 1 . . . . 9 K CA . 15711 1 41 . 1 1 9 9 LYS CB C 13 36.551 0.041 . 1 . . . . 9 K CB . 15711 1 42 . 1 1 9 9 LYS N N 15 121.350 0.118 . 1 . . . . 9 K N . 15711 1 43 . 1 1 10 10 GLY H H 1 8.658 0.004 . 1 . . . . 10 G H . 15711 1 44 . 1 1 10 10 GLY C C 13 172.618 0.030 . 1 . . . . 10 G C . 15711 1 45 . 1 1 10 10 GLY CA C 13 45.386 0.006 . 1 . . . . 10 G CA . 15711 1 46 . 1 1 10 10 GLY N N 15 112.394 0.067 . 1 . . . . 10 G N . 15711 1 47 . 1 1 11 11 ASP H H 1 8.749 0.006 . 1 . . . . 11 D H . 15711 1 48 . 1 1 11 11 ASP C C 13 176.819 0.009 . 1 . . . . 11 D C . 15711 1 49 . 1 1 11 11 ASP CA C 13 54.675 0.043 . 1 . . . . 11 D CA . 15711 1 50 . 1 1 11 11 ASP CB C 13 41.045 0.008 . 1 . . . . 11 D CB . 15711 1 51 . 1 1 11 11 ASP N N 15 121.266 0.101 . 1 . . . . 11 D N . 15711 1 52 . 1 1 12 12 GLY H H 1 8.169 0.005 . 1 . . . . 12 G H . 15711 1 53 . 1 1 12 12 GLY C C 13 173.609 0.030 . 1 . . . . 12 G C . 15711 1 54 . 1 1 12 12 GLY CA C 13 44.473 0.007 . 1 . . . . 12 G CA . 15711 1 55 . 1 1 12 12 GLY N N 15 110.473 0.079 . 1 . . . . 12 G N . 15711 1 56 . 1 1 13 13 PRO C C 13 176.546 0.002 . 1 . . . . 13 P C . 15711 1 57 . 1 1 13 13 PRO CA C 13 63.468 0.002 . 1 . . . . 13 P CA . 15711 1 58 . 1 1 13 13 PRO CB C 13 32.622 0.030 . 1 . . . . 13 P CB . 15711 1 59 . 1 1 14 14 VAL H H 1 7.414 0.004 . 1 . . . . 14 V H . 15711 1 60 . 1 1 14 14 VAL C C 13 176.027 0.005 . 1 . . . . 14 V C . 15711 1 61 . 1 1 14 14 VAL CA C 13 63.030 0.032 . 1 . . . . 14 V CA . 15711 1 62 . 1 1 14 14 VAL CB C 13 30.796 0.007 . 1 . . . . 14 V CB . 15711 1 63 . 1 1 14 14 VAL N N 15 120.878 0.097 . 1 . . . . 14 V N . 15711 1 64 . 1 1 15 15 GLN H H 1 8.069 0.005 . 1 . . . . 15 Q H . 15711 1 65 . 1 1 15 15 GLN C C 13 174.279 0.008 . 1 . . . . 15 Q C . 15711 1 66 . 1 1 15 15 GLN CA C 13 54.159 0.016 . 1 . . . . 15 Q CA . 15711 1 67 . 1 1 15 15 GLN CB C 13 32.519 0.049 . 1 . . . . 15 Q CB . 15711 1 68 . 1 1 15 15 GLN N N 15 123.552 0.067 . 1 . . . . 15 Q N . 15711 1 69 . 1 1 16 16 GLY H H 1 8.259 0.005 . 1 . . . . 16 G H . 15711 1 70 . 1 1 16 16 GLY C C 13 170.855 0.030 . 1 . . . . 16 G C . 15711 1 71 . 1 1 16 16 GLY CA C 13 46.761 0.015 . 1 . . . . 16 G CA . 15711 1 72 . 1 1 16 16 GLY N N 15 107.824 0.084 . 1 . . . . 16 G N . 15711 1 73 . 1 1 17 17 ILE H H 1 8.014 0.004 . 1 . . . . 17 I H . 15711 1 74 . 1 1 17 17 ILE C C 13 174.086 0.011 . 1 . . . . 17 I C . 15711 1 75 . 1 1 17 17 ILE CA C 13 61.301 0.042 . 1 . . . . 17 I CA . 15711 1 76 . 1 1 17 17 ILE CB C 13 40.851 0.035 . 1 . . . . 17 I CB . 15711 1 77 . 1 1 17 17 ILE N N 15 120.840 0.090 . 1 . . . . 17 I N . 15711 1 78 . 1 1 18 18 ILE H H 1 8.824 0.003 . 1 . . . . 18 I H . 15711 1 79 . 1 1 18 18 ILE C C 13 172.609 0.010 . 1 . . . . 18 I C . 15711 1 80 . 1 1 18 18 ILE CA C 13 56.826 0.052 . 1 . . . . 18 I CA . 15711 1 81 . 1 1 18 18 ILE CB C 13 37.555 0.021 . 1 . . . . 18 I CB . 15711 1 82 . 1 1 18 18 ILE N N 15 126.685 0.085 . 1 . . . . 18 I N . 15711 1 83 . 1 1 19 19 ASN H H 1 8.779 0.003 . 1 . . . . 19 N H . 15711 1 84 . 1 1 19 19 ASN C C 13 172.197 0.012 . 1 . . . . 19 N C . 15711 1 85 . 1 1 19 19 ASN CA C 13 52.377 0.056 . 1 . . . . 19 N CA . 15711 1 86 . 1 1 19 19 ASN CB C 13 40.498 0.020 . 1 . . . . 19 N CB . 15711 1 87 . 1 1 19 19 ASN N N 15 124.498 0.085 . 1 . . . . 19 N N . 15711 1 88 . 1 1 20 20 PHE H H 1 8.508 0.003 . 1 . . . . 20 F H . 15711 1 89 . 1 1 20 20 PHE C C 13 176.373 0.016 . 1 . . . . 20 F C . 15711 1 90 . 1 1 20 20 PHE CA C 13 55.235 0.012 . 1 . . . . 20 F CA . 15711 1 91 . 1 1 20 20 PHE CB C 13 43.291 0.050 . 1 . . . . 20 F CB . 15711 1 92 . 1 1 20 20 PHE N N 15 115.094 0.088 . 1 . . . . 20 F N . 15711 1 93 . 1 1 21 21 GLU H H 1 9.620 0.003 . 1 . . . . 21 E H . 15711 1 94 . 1 1 21 21 GLU C C 13 173.688 0.019 . 1 . . . . 21 E C . 15711 1 95 . 1 1 21 21 GLU CA C 13 56.175 0.016 . 1 . . . . 21 E CA . 15711 1 96 . 1 1 21 21 GLU CB C 13 34.537 0.008 . 1 . . . . 21 E CB . 15711 1 97 . 1 1 21 21 GLU N N 15 122.243 0.097 . 1 . . . . 21 E N . 15711 1 98 . 1 1 22 22 GLN H H 1 9.170 0.004 . 1 . . . . 22 Q H . 15711 1 99 . 1 1 22 22 GLN C C 13 174.666 0.022 . 1 . . . . 22 Q C . 15711 1 100 . 1 1 22 22 GLN CA C 13 54.534 0.035 . 1 . . . . 22 Q CA . 15711 1 101 . 1 1 22 22 GLN CB C 13 32.811 0.017 . 1 . . . . 22 Q CB . 15711 1 102 . 1 1 22 22 GLN N N 15 129.803 0.097 . 1 . . . . 22 Q N . 15711 1 103 . 1 1 23 23 LYS H H 1 9.223 0.003 . 1 . . . . 23 K H . 15711 1 104 . 1 1 23 23 LYS C C 13 176.188 0.006 . 1 . . . . 23 K C . 15711 1 105 . 1 1 23 23 LYS CA C 13 59.703 0.028 . 1 . . . . 23 K CA . 15711 1 106 . 1 1 23 23 LYS CB C 13 33.164 0.065 . 1 . . . . 23 K CB . 15711 1 107 . 1 1 23 23 LYS N N 15 130.123 0.086 . 1 . . . . 23 K N . 15711 1 108 . 1 1 24 24 GLU H H 1 8.141 0.004 . 1 . . . . 24 E H . 15711 1 109 . 1 1 24 24 GLU C C 13 177.297 0.003 . 1 . . . . 24 E C . 15711 1 110 . 1 1 24 24 GLU CA C 13 54.412 0.076 . 1 . . . . 24 E CA . 15711 1 111 . 1 1 24 24 GLU CB C 13 32.479 0.013 . 1 . . . . 24 E CB . 15711 1 112 . 1 1 24 24 GLU N N 15 115.730 0.095 . 1 . . . . 24 E N . 15711 1 113 . 1 1 25 25 SER H H 1 8.844 0.002 . 1 . . . . 25 S H . 15711 1 114 . 1 1 25 25 SER C C 13 174.528 0.020 . 1 . . . . 25 S C . 15711 1 115 . 1 1 25 25 SER CA C 13 61.267 0.108 . 1 . . . . 25 S CA . 15711 1 116 . 1 1 25 25 SER CB C 13 62.830 0.072 . 1 . . . . 25 S CB . 15711 1 117 . 1 1 25 25 SER N N 15 118.400 0.075 . 1 . . . . 25 S N . 15711 1 118 . 1 1 26 26 ASN H H 1 8.324 0.003 . 1 . . . . 26 N H . 15711 1 119 . 1 1 26 26 ASN C C 13 175.148 0.015 . 1 . . . . 26 N C . 15711 1 120 . 1 1 26 26 ASN CA C 13 52.973 0.043 . 1 . . . . 26 N CA . 15711 1 121 . 1 1 26 26 ASN CB C 13 38.170 0.035 . 1 . . . . 26 N CB . 15711 1 122 . 1 1 26 26 ASN N N 15 117.076 0.093 . 1 . . . . 26 N N . 15711 1 123 . 1 1 27 27 GLY H H 1 7.929 0.004 . 1 . . . . 27 G H . 15711 1 124 . 1 1 27 27 GLY C C 13 172.048 0.030 . 1 . . . . 27 G C . 15711 1 125 . 1 1 27 27 GLY CA C 13 44.611 0.004 . 1 . . . . 27 G CA . 15711 1 126 . 1 1 27 27 GLY N N 15 108.128 0.086 . 1 . . . . 27 G N . 15711 1 127 . 1 1 28 28 PRO C C 13 176.189 0.030 . 1 . . . . 28 P C . 15711 1 128 . 1 1 28 28 PRO CA C 13 63.064 0.070 . 1 . . . . 28 P CA . 15711 1 129 . 1 1 28 28 PRO CB C 13 33.023 0.030 . 1 . . . . 28 P CB . 15711 1 130 . 1 1 29 29 VAL H H 1 8.966 0.012 . 1 . . . . 29 V H . 15711 1 131 . 1 1 29 29 VAL C C 13 175.242 0.058 . 1 . . . . 29 V C . 15711 1 132 . 1 1 29 29 VAL CA C 13 61.150 0.020 . 1 . . . . 29 V CA . 15711 1 133 . 1 1 29 29 VAL CB C 13 33.658 0.030 . 1 . . . . 29 V CB . 15711 1 134 . 1 1 29 29 VAL N N 15 121.556 0.104 . 1 . . . . 29 V N . 15711 1 135 . 1 1 30 30 LYS H H 1 9.167 0.003 . 1 . . . . 30 K H . 15711 1 136 . 1 1 30 30 LYS C C 13 175.298 0.019 . 1 . . . . 30 K C . 15711 1 137 . 1 1 30 30 LYS CA C 13 55.885 0.060 . 1 . . . . 30 K CA . 15711 1 138 . 1 1 30 30 LYS CB C 13 34.462 0.021 . 1 . . . . 30 K CB . 15711 1 139 . 1 1 30 30 LYS N N 15 128.498 0.074 . 1 . . . . 30 K N . 15711 1 140 . 1 1 31 31 VAL H H 1 9.243 0.004 . 1 . . . . 31 V H . 15711 1 141 . 1 1 31 31 VAL C C 13 175.383 0.003 . 1 . . . . 31 V C . 15711 1 142 . 1 1 31 31 VAL CA C 13 60.476 0.045 . 1 . . . . 31 V CA . 15711 1 143 . 1 1 31 31 VAL CB C 13 33.665 0.049 . 1 . . . . 31 V CB . 15711 1 144 . 1 1 31 31 VAL N N 15 126.787 0.081 . 1 . . . . 31 V N . 15711 1 145 . 1 1 32 32 TRP H H 1 9.026 0.004 . 1 . . . . 32 W H . 15711 1 146 . 1 1 32 32 TRP HE1 H 1 10.312 0.004 . 1 . . . . 32 W HE1 . 15711 1 147 . 1 1 32 32 TRP C C 13 173.401 0.012 . 1 . . . . 32 W C . 15711 1 148 . 1 1 32 32 TRP CA C 13 56.133 0.024 . 1 . . . . 32 W CA . 15711 1 149 . 1 1 32 32 TRP CB C 13 32.457 0.003 . 1 . . . . 32 W CB . 15711 1 150 . 1 1 32 32 TRP N N 15 125.610 0.079 . 1 . . . . 32 W N . 15711 1 151 . 1 1 32 32 TRP NE1 N 15 130.011 0.070 . 1 . . . . 32 W NE1 . 15711 1 152 . 1 1 33 33 GLY H H 1 8.479 0.005 . 1 . . . . 33 G H . 15711 1 153 . 1 1 33 33 GLY C C 13 171.341 0.008 . 1 . . . . 33 G C . 15711 1 154 . 1 1 33 33 GLY CA C 13 44.745 0.013 . 1 . . . . 33 G CA . 15711 1 155 . 1 1 33 33 GLY N N 15 108.520 0.093 . 1 . . . . 33 G N . 15711 1 156 . 1 1 34 34 SER H H 1 7.833 0.004 . 1 . . . . 34 S H . 15711 1 157 . 1 1 34 34 SER C C 13 172.974 0.132 . 1 . . . . 34 S C . 15711 1 158 . 1 1 34 34 SER CA C 13 57.011 0.022 . 1 . . . . 34 S CA . 15711 1 159 . 1 1 34 34 SER CB C 13 65.364 0.030 . 1 . . . . 34 S CB . 15711 1 160 . 1 1 34 34 SER N N 15 114.137 0.078 . 1 . . . . 34 S N . 15711 1 161 . 1 1 35 35 ILE H H 1 8.653 0.004 . 1 . . . . 35 I H . 15711 1 162 . 1 1 35 35 ILE C C 13 173.139 0.030 . 1 . . . . 35 I C . 15711 1 163 . 1 1 35 35 ILE CA C 13 60.192 0.032 . 1 . . . . 35 I CA . 15711 1 164 . 1 1 35 35 ILE CB C 13 41.380 0.030 . 1 . . . . 35 I CB . 15711 1 165 . 1 1 35 35 ILE N N 15 123.982 0.135 . 1 . . . . 35 I N . 15711 1 166 . 1 1 36 36 LYS H H 1 9.027 0.003 . 1 . . . . 36 K H . 15711 1 167 . 1 1 36 36 LYS C C 13 175.575 0.016 . 1 . . . . 36 K C . 15711 1 168 . 1 1 36 36 LYS CA C 13 54.539 0.038 . 1 . . . . 36 K CA . 15711 1 169 . 1 1 36 36 LYS CB C 13 35.311 0.006 . 1 . . . . 36 K CB . 15711 1 170 . 1 1 36 36 LYS N N 15 124.324 0.080 . 1 . . . . 36 K N . 15711 1 171 . 1 1 37 37 GLY H H 1 8.294 0.004 . 1 . . . . 37 G H . 15711 1 172 . 1 1 37 37 GLY C C 13 176.015 0.030 . 1 . . . . 37 G C . 15711 1 173 . 1 1 37 37 GLY CA C 13 45.688 0.029 . 1 . . . . 37 G CA . 15711 1 174 . 1 1 37 37 GLY N N 15 106.424 0.094 . 1 . . . . 37 G N . 15711 1 175 . 1 1 38 38 LEU H H 1 8.325 0.004 . 1 . . . . 38 L H . 15711 1 176 . 1 1 38 38 LEU C C 13 176.957 0.007 . 1 . . . . 38 L C . 15711 1 177 . 1 1 38 38 LEU CA C 13 53.528 0.035 . 1 . . . . 38 L CA . 15711 1 178 . 1 1 38 38 LEU CB C 13 44.284 0.013 . 1 . . . . 38 L CB . 15711 1 179 . 1 1 38 38 LEU N N 15 120.648 0.119 . 1 . . . . 38 L N . 15711 1 180 . 1 1 39 39 THR H H 1 8.013 0.012 . 1 . . . . 39 T H . 15711 1 181 . 1 1 39 39 THR C C 13 175.863 0.034 . 1 . . . . 39 T C . 15711 1 182 . 1 1 39 39 THR CA C 13 61.272 0.053 . 1 . . . . 39 T CA . 15711 1 183 . 1 1 39 39 THR CB C 13 69.618 0.030 . 1 . . . . 39 T CB . 15711 1 184 . 1 1 39 39 THR N N 15 110.624 0.117 . 1 . . . . 39 T N . 15711 1 185 . 1 1 40 40 GLU H H 1 8.728 0.004 . 1 . . . . 40 E H . 15711 1 186 . 1 1 40 40 GLU C C 13 176.004 0.038 . 1 . . . . 40 E C . 15711 1 187 . 1 1 40 40 GLU CA C 13 57.570 0.017 . 1 . . . . 40 E CA . 15711 1 188 . 1 1 40 40 GLU CB C 13 30.472 0.037 . 1 . . . . 40 E CB . 15711 1 189 . 1 1 40 40 GLU N N 15 126.442 0.049 . 1 . . . . 40 E N . 15711 1 190 . 1 1 41 41 GLY H H 1 8.685 0.004 . 1 . . . . 41 G H . 15711 1 191 . 1 1 41 41 GLY C C 13 172.941 0.002 . 1 . . . . 41 G C . 15711 1 192 . 1 1 41 41 GLY CA C 13 43.258 0.024 . 1 . . . . 41 G CA . 15711 1 193 . 1 1 41 41 GLY N N 15 113.743 0.076 . 1 . . . . 41 G N . 15711 1 194 . 1 1 42 42 LEU H H 1 8.235 0.009 . 1 . . . . 42 L H . 15711 1 195 . 1 1 42 42 LEU C C 13 177.356 0.012 . 1 . . . . 42 L C . 15711 1 196 . 1 1 42 42 LEU CA C 13 55.103 0.032 . 1 . . . . 42 L CA . 15711 1 197 . 1 1 42 42 LEU CB C 13 44.707 0.040 . 1 . . . . 42 L CB . 15711 1 198 . 1 1 42 42 LEU N N 15 120.402 0.154 . 1 . . . . 42 L N . 15711 1 199 . 1 1 43 43 HIS H H 1 8.746 0.018 . 1 . . . . 43 H H . 15711 1 200 . 1 1 43 43 HIS C C 13 173.786 0.022 . 1 . . . . 43 H C . 15711 1 201 . 1 1 43 43 HIS CA C 13 54.538 0.055 . 1 . . . . 43 H CA . 15711 1 202 . 1 1 43 43 HIS CB C 13 31.784 0.006 . 1 . . . . 43 H CB . 15711 1 203 . 1 1 43 43 HIS N N 15 116.076 0.215 . 1 . . . . 43 H N . 15711 1 204 . 1 1 44 44 GLY H H 1 8.698 0.008 . 1 . . . . 44 G H . 15711 1 205 . 1 1 44 44 GLY C C 13 172.208 0.030 . 1 . . . . 44 G C . 15711 1 206 . 1 1 44 44 GLY CA C 13 46.284 0.011 . 1 . . . . 44 G CA . 15711 1 207 . 1 1 44 44 GLY N N 15 112.523 0.020 . 1 . . . . 44 G N . 15711 1 208 . 1 1 45 45 PHE H H 1 8.774 0.013 . 1 . . . . 45 F H . 15711 1 209 . 1 1 45 45 PHE C C 13 173.810 0.018 . 1 . . . . 45 F C . 15711 1 210 . 1 1 45 45 PHE CA C 13 54.998 0.020 . 1 . . . . 45 F CA . 15711 1 211 . 1 1 45 45 PHE CB C 13 41.677 0.007 . 1 . . . . 45 F CB . 15711 1 212 . 1 1 45 45 PHE N N 15 127.721 0.052 . 1 . . . . 45 F N . 15711 1 213 . 1 1 46 46 HIS H H 1 8.836 0.017 . 1 . . . . 46 H H . 15711 1 214 . 1 1 46 46 HIS C C 13 173.358 0.018 . 1 . . . . 46 H C . 15711 1 215 . 1 1 46 46 HIS CA C 13 53.294 0.018 . 1 . . . . 46 H CA . 15711 1 216 . 1 1 46 46 HIS CB C 13 35.243 0.033 . 1 . . . . 46 H CB . 15711 1 217 . 1 1 46 46 HIS N N 15 121.476 0.063 . 1 . . . . 46 H N . 15711 1 218 . 1 1 47 47 VAL H H 1 9.108 0.028 . 1 . . . . 47 V H . 15711 1 219 . 1 1 47 47 VAL C C 13 175.844 0.028 . 1 . . . . 47 V C . 15711 1 220 . 1 1 47 47 VAL CA C 13 61.420 0.023 . 1 . . . . 47 V CA . 15711 1 221 . 1 1 47 47 VAL CB C 13 32.715 0.072 . 1 . . . . 47 V CB . 15711 1 222 . 1 1 47 47 VAL N N 15 122.081 0.058 . 1 . . . . 47 V N . 15711 1 223 . 1 1 48 48 HIS H H 1 9.679 0.003 . 1 . . . . 48 H H . 15711 1 224 . 1 1 48 48 HIS C C 13 174.594 0.010 . 1 . . . . 48 H C . 15711 1 225 . 1 1 48 48 HIS CA C 13 55.510 0.017 . 1 . . . . 48 H CA . 15711 1 226 . 1 1 48 48 HIS CB C 13 31.802 0.029 . 1 . . . . 48 H CB . 15711 1 227 . 1 1 48 48 HIS N N 15 128.313 0.190 . 1 . . . . 48 H N . 15711 1 228 . 1 1 49 49 GLU H H 1 8.950 0.010 . 1 . . . . 49 E H . 15711 1 229 . 1 1 49 49 GLU C C 13 175.572 0.017 . 1 . . . . 49 E C . 15711 1 230 . 1 1 49 49 GLU CA C 13 56.520 0.059 . 1 . . . . 49 E CA . 15711 1 231 . 1 1 49 49 GLU CB C 13 30.471 0.060 . 1 . . . . 49 E CB . 15711 1 232 . 1 1 49 49 GLU N N 15 123.659 0.075 . 1 . . . . 49 E N . 15711 1 233 . 1 1 50 50 GLU H H 1 8.752 0.019 . 1 . . . . 50 E H . 15711 1 234 . 1 1 50 50 GLU C C 13 176.130 0.005 . 1 . . . . 50 E C . 15711 1 235 . 1 1 50 50 GLU CA C 13 56.506 0.016 . 1 . . . . 50 E CA . 15711 1 236 . 1 1 50 50 GLU CB C 13 30.444 0.030 . 1 . . . . 50 E CB . 15711 1 237 . 1 1 50 50 GLU N N 15 122.310 0.158 . 1 . . . . 50 E N . 15711 1 238 . 1 1 51 51 GLU H H 1 8.572 0.013 . 1 . . . . 51 E H . 15711 1 239 . 1 1 51 51 GLU C C 13 175.949 0.036 . 1 . . . . 51 E C . 15711 1 240 . 1 1 51 51 GLU CA C 13 56.732 0.009 . 1 . . . . 51 E CA . 15711 1 241 . 1 1 51 51 GLU CB C 13 30.556 0.010 . 1 . . . . 51 E CB . 15711 1 242 . 1 1 51 51 GLU N N 15 121.644 0.162 . 1 . . . . 51 E N . 15711 1 243 . 1 1 52 52 ASP H H 1 8.285 0.005 . 1 . . . . 52 D H . 15711 1 244 . 1 1 52 52 ASP C C 13 176.027 0.026 . 1 . . . . 52 D C . 15711 1 245 . 1 1 52 52 ASP CA C 13 54.088 0.003 . 1 . . . . 52 D CA . 15711 1 246 . 1 1 52 52 ASP CB C 13 41.246 0.014 . 1 . . . . 52 D CB . 15711 1 247 . 1 1 52 52 ASP N N 15 120.284 0.119 . 1 . . . . 52 D N . 15711 1 248 . 1 1 53 53 ASN H H 1 8.472 0.006 . 1 . . . . 53 N H . 15711 1 249 . 1 1 53 53 ASN C C 13 175.957 0.041 . 1 . . . . 53 N C . 15711 1 250 . 1 1 53 53 ASN CA C 13 53.722 0.034 . 1 . . . . 53 N CA . 15711 1 251 . 1 1 53 53 ASN CB C 13 38.749 0.002 . 1 . . . . 53 N CB . 15711 1 252 . 1 1 53 53 ASN N N 15 119.462 0.170 . 1 . . . . 53 N N . 15711 1 253 . 1 1 54 54 THR H H 1 8.235 0.007 . 1 . . . . 54 T H . 15711 1 254 . 1 1 54 54 THR C C 13 174.827 0.014 . 1 . . . . 54 T C . 15711 1 255 . 1 1 54 54 THR CA C 13 62.783 0.068 . 1 . . . . 54 T CA . 15711 1 256 . 1 1 54 54 THR CB C 13 69.656 0.093 . 1 . . . . 54 T CB . 15711 1 257 . 1 1 54 54 THR N N 15 113.455 0.109 . 1 . . . . 54 T N . 15711 1 258 . 1 1 55 55 ALA H H 1 8.178 0.003 . 1 . . . . 55 A H . 15711 1 259 . 1 1 55 55 ALA C C 13 177.972 0.007 . 1 . . . . 55 A C . 15711 1 260 . 1 1 55 55 ALA CA C 13 52.797 0.010 . 1 . . . . 55 A CA . 15711 1 261 . 1 1 55 55 ALA CB C 13 19.121 0.026 . 1 . . . . 55 A CB . 15711 1 262 . 1 1 55 55 ALA N N 15 125.342 0.060 . 1 . . . . 55 A N . 15711 1 263 . 1 1 56 56 GLY H H 1 8.174 0.008 . 1 . . . . 56 G H . 15711 1 264 . 1 1 56 56 GLY C C 13 174.511 0.195 . 1 . . . . 56 G C . 15711 1 265 . 1 1 56 56 GLY CA C 13 45.512 0.007 . 1 . . . . 56 G CA . 15711 1 266 . 1 1 56 56 GLY N N 15 107.500 0.055 . 1 . . . . 56 G N . 15711 1 267 . 1 1 57 57 CYS H H 1 8.539 0.003 . 1 . . . . 57 C H . 15711 1 268 . 1 1 57 57 CYS C C 13 174.636 0.058 . 1 . . . . 57 C C . 15711 1 269 . 1 1 57 57 CYS CA C 13 55.879 0.044 . 1 . . . . 57 C CA . 15711 1 270 . 1 1 57 57 CYS CB C 13 41.126 0.013 . 1 . . . . 57 C CB . 15711 1 271 . 1 1 57 57 CYS N N 15 118.869 0.065 . 1 . . . . 57 C N . 15711 1 272 . 1 1 58 58 THR H H 1 8.165 0.007 . 1 . . . . 58 T H . 15711 1 273 . 1 1 58 58 THR C C 13 174.343 0.168 . 1 . . . . 58 T C . 15711 1 274 . 1 1 58 58 THR CA C 13 62.032 0.030 . 1 . . . . 58 T CA . 15711 1 275 . 1 1 58 58 THR CB C 13 69.933 0.030 . 1 . . . . 58 T CB . 15711 1 276 . 1 1 58 58 THR N N 15 114.187 0.052 . 1 . . . . 58 T N . 15711 1 277 . 1 1 59 59 SER H H 1 8.391 0.005 . 1 . . . . 59 S H . 15711 1 278 . 1 1 59 59 SER C C 13 174.241 0.129 . 1 . . . . 59 S C . 15711 1 279 . 1 1 59 59 SER CA C 13 58.518 0.027 . 1 . . . . 59 S CA . 15711 1 280 . 1 1 59 59 SER CB C 13 63.862 0.072 . 1 . . . . 59 S CB . 15711 1 281 . 1 1 59 59 SER N N 15 118.239 0.102 . 1 . . . . 59 S N . 15711 1 282 . 1 1 60 60 ALA H H 1 8.227 0.004 . 6 . . . . 60 A H . 15711 1 283 . 1 1 60 60 ALA C C 13 177.590 0.007 . 6 . . . . 60 A C . 15711 1 284 . 1 1 60 60 ALA CA C 13 52.431 0.013 . 6 . . . . 60 A CA . 15711 1 285 . 1 1 60 60 ALA CB C 13 19.708 0.023 . 6 . . . . 60 A CB . 15711 1 286 . 1 1 60 60 ALA N N 15 125.478 0.036 . 6 . . . . 60 A N . 15711 1 287 . 1 1 61 61 GLY H H 1 8.128 0.002 . 6 . . . . 61 G H . 15711 1 288 . 1 1 61 61 GLY C C 13 171.899 0.030 . 6 . . . . 61 G C . 15711 1 289 . 1 1 61 61 GLY CA C 13 44.636 0.001 . 6 . . . . 61 G CA . 15711 1 290 . 1 1 61 61 GLY N N 15 107.899 0.064 . 6 . . . . 61 G N . 15711 1 291 . 1 1 62 62 PRO C C 13 176.603 0.010 . 6 . . . . 62 P C . 15711 1 292 . 1 1 62 62 PRO CA C 13 62.613 0.007 . 6 . . . . 62 P CA . 15711 1 293 . 1 1 62 62 PRO CB C 13 34.727 0.030 . 6 . . . . 62 P CB . 15711 1 294 . 1 1 63 63 HIS H H 1 8.604 0.004 . 6 . . . . 63 H H . 15711 1 295 . 1 1 63 63 HIS C C 13 176.178 0.010 . 6 . . . . 63 H C . 15711 1 296 . 1 1 63 63 HIS CA C 13 56.521 0.027 . 6 . . . . 63 H CA . 15711 1 297 . 1 1 63 63 HIS CB C 13 33.150 0.011 . 6 . . . . 63 H CB . 15711 1 298 . 1 1 63 63 HIS N N 15 122.227 0.084 . 6 . . . . 63 H N . 15711 1 299 . 1 1 64 64 PHE H H 1 8.523 0.003 . 6 . . . . 64 F H . 15711 1 300 . 1 1 64 64 PHE C C 13 177.482 0.002 . 6 . . . . 64 F C . 15711 1 301 . 1 1 64 64 PHE CA C 13 54.793 0.012 . 6 . . . . 64 F CA . 15711 1 302 . 1 1 64 64 PHE CB C 13 41.069 0.007 . 6 . . . . 64 F CB . 15711 1 303 . 1 1 64 64 PHE N N 15 121.987 0.103 . 6 . . . . 64 F N . 15711 1 304 . 1 1 65 65 ASN H H 1 8.499 0.012 . 6 . . . . 65 N H . 15711 1 305 . 1 1 65 65 ASN CA C 13 59.288 0.030 . 6 . . . . 65 N CA . 15711 1 306 . 1 1 65 65 ASN CB C 13 39.204 0.030 . 6 . . . . 65 N CB . 15711 1 307 . 1 1 65 65 ASN N N 15 120.618 0.094 . 6 . . . . 65 N N . 15711 1 308 . 1 1 66 66 PRO C C 13 177.095 0.003 . 1 . . . . 66 P C . 15711 1 309 . 1 1 66 66 PRO CA C 13 63.698 0.037 . 1 . . . . 66 P CA . 15711 1 310 . 1 1 66 66 PRO CB C 13 32.175 0.039 . 1 . . . . 66 P CB . 15711 1 311 . 1 1 67 67 LEU H H 1 8.085 0.003 . 1 . . . . 67 L H . 15711 1 312 . 1 1 67 67 LEU C C 13 177.653 0.004 . 1 . . . . 67 L C . 15711 1 313 . 1 1 67 67 LEU CA C 13 55.353 0.035 . 1 . . . . 67 L CA . 15711 1 314 . 1 1 67 67 LEU CB C 13 41.750 0.010 . 1 . . . . 67 L CB . 15711 1 315 . 1 1 67 67 LEU N N 15 119.666 0.077 . 1 . . . . 67 L N . 15711 1 316 . 1 1 68 68 SER H H 1 7.919 0.002 . 1 . . . . 68 S H . 15711 1 317 . 1 1 68 68 SER C C 13 174.601 0.011 . 1 . . . . 68 S C . 15711 1 318 . 1 1 68 68 SER CA C 13 58.550 0.027 . 1 . . . . 68 S CA . 15711 1 319 . 1 1 68 68 SER CB C 13 63.720 0.054 . 1 . . . . 68 S CB . 15711 1 320 . 1 1 68 68 SER N N 15 115.385 0.066 . 1 . . . . 68 S N . 15711 1 321 . 1 1 69 69 ARG H H 1 8.186 0.005 . 1 . . . . 69 R H . 15711 1 322 . 1 1 69 69 ARG C C 13 176.242 0.116 . 1 . . . . 69 R C . 15711 1 323 . 1 1 69 69 ARG CA C 13 56.085 0.120 . 1 . . . . 69 R CA . 15711 1 324 . 1 1 69 69 ARG CB C 13 30.804 0.007 . 1 . . . . 69 R CB . 15711 1 325 . 1 1 69 69 ARG N N 15 122.812 0.077 . 1 . . . . 69 R N . 15711 1 326 . 1 1 70 70 LYS H H 1 8.297 0.003 . 1 . . . . 70 K H . 15711 1 327 . 1 1 70 70 LYS C C 13 176.411 0.030 . 1 . . . . 70 K C . 15711 1 328 . 1 1 70 70 LYS CA C 13 56.448 0.025 . 1 . . . . 70 K CA . 15711 1 329 . 1 1 70 70 LYS CB C 13 33.033 0.002 . 1 . . . . 70 K CB . 15711 1 330 . 1 1 70 70 LYS N N 15 122.225 0.122 . 1 . . . . 70 K N . 15711 1 331 . 1 1 71 71 HIS H H 1 8.502 0.019 . 1 . . . . 71 H H . 15711 1 332 . 1 1 71 71 HIS C C 13 175.082 0.011 . 1 . . . . 71 H C . 15711 1 333 . 1 1 71 71 HIS CA C 13 55.555 0.031 . 1 . . . . 71 H CA . 15711 1 334 . 1 1 71 71 HIS CB C 13 29.766 0.018 . 1 . . . . 71 H CB . 15711 1 335 . 1 1 71 71 HIS N N 15 119.973 0.226 . 1 . . . . 71 H N . 15711 1 336 . 1 1 72 72 GLY H H 1 8.530 0.008 . 6 . . . . 72 G H . 15711 1 337 . 1 1 72 72 GLY C C 13 174.194 0.011 . 6 . . . . 72 G C . 15711 1 338 . 1 1 72 72 GLY CA C 13 45.202 0.018 . 6 . . . . 72 G CA . 15711 1 339 . 1 1 72 72 GLY N N 15 110.656 0.095 . 6 . . . . 72 G N . 15711 1 340 . 1 1 73 73 GLY H H 1 8.308 0.003 . 6 . . . . 73 G H . 15711 1 341 . 1 1 73 73 GLY C C 13 172.105 0.030 . 6 . . . . 73 G C . 15711 1 342 . 1 1 73 73 GLY CA C 13 44.596 0.004 . 6 . . . . 73 G CA . 15711 1 343 . 1 1 73 73 GLY N N 15 109.227 0.113 . 6 . . . . 73 G N . 15711 1 344 . 1 1 74 74 PRO CA C 13 63.541 0.022 . 1 . . . . 74 P CA . 15711 1 345 . 1 1 74 74 PRO CB C 13 32.247 0.030 . 1 . . . . 74 P CB . 15711 1 346 . 1 1 75 75 LYS H H 1 8.486 0.003 . 1 . . . . 75 K H . 15711 1 347 . 1 1 75 75 LYS C C 13 176.642 0.004 . 1 . . . . 75 K C . 15711 1 348 . 1 1 75 75 LYS CA C 13 56.471 0.020 . 1 . . . . 75 K CA . 15711 1 349 . 1 1 75 75 LYS CB C 13 32.784 0.026 . 1 . . . . 75 K CB . 15711 1 350 . 1 1 75 75 LYS N N 15 120.560 0.080 . 1 . . . . 75 K N . 15711 1 351 . 1 1 76 76 ASP H H 1 8.244 0.004 . 1 . . . . 76 D H . 15711 1 352 . 1 1 76 76 ASP C C 13 176.421 0.030 . 1 . . . . 76 D C . 15711 1 353 . 1 1 76 76 ASP CA C 13 54.927 0.042 . 1 . . . . 76 D CA . 15711 1 354 . 1 1 76 76 ASP CB C 13 41.096 0.002 . 1 . . . . 76 D CB . 15711 1 355 . 1 1 76 76 ASP N N 15 121.094 0.091 . 1 . . . . 76 D N . 15711 1 356 . 1 1 77 77 GLU H H 1 8.337 0.003 . 1 . . . . 77 E H . 15711 1 357 . 1 1 77 77 GLU C C 13 176.523 0.030 . 1 . . . . 77 E C . 15711 1 358 . 1 1 77 77 GLU CA C 13 56.748 0.013 . 1 . . . . 77 E CA . 15711 1 359 . 1 1 77 77 GLU CB C 13 30.328 0.016 . 1 . . . . 77 E CB . 15711 1 360 . 1 1 77 77 GLU N N 15 120.435 0.047 . 1 . . . . 77 E N . 15711 1 361 . 1 1 78 78 GLU H H 1 8.263 0.005 . 1 . . . . 78 E H . 15711 1 362 . 1 1 78 78 GLU C C 13 176.466 0.118 . 1 . . . . 78 E C . 15711 1 363 . 1 1 78 78 GLU CA C 13 56.632 0.012 . 1 . . . . 78 E CA . 15711 1 364 . 1 1 78 78 GLU CB C 13 30.286 0.001 . 1 . . . . 78 E CB . 15711 1 365 . 1 1 78 78 GLU N N 15 121.416 0.111 . 1 . . . . 78 E N . 15711 1 366 . 1 1 79 79 ARG H H 1 8.197 0.003 . 1 . . . . 79 R H . 15711 1 367 . 1 1 79 79 ARG C C 13 176.056 0.021 . 1 . . . . 79 R C . 15711 1 368 . 1 1 79 79 ARG CA C 13 56.053 0.010 . 1 . . . . 79 R CA . 15711 1 369 . 1 1 79 79 ARG CB C 13 30.955 0.024 . 1 . . . . 79 R CB . 15711 1 370 . 1 1 79 79 ARG N N 15 121.460 0.132 . 1 . . . . 79 R N . 15711 1 371 . 1 1 80 80 HIS H H 1 8.665 0.006 . 1 . . . . 80 H H . 15711 1 372 . 1 1 80 80 HIS C C 13 174.637 0.014 . 1 . . . . 80 H C . 15711 1 373 . 1 1 80 80 HIS CA C 13 55.525 0.050 . 1 . . . . 80 H CA . 15711 1 374 . 1 1 80 80 HIS CB C 13 29.157 0.027 . 1 . . . . 80 H CB . 15711 1 375 . 1 1 80 80 HIS N N 15 120.005 0.326 . 1 . . . . 80 H N . 15711 1 376 . 1 1 81 81 VAL H H 1 8.136 0.008 . 1 . . . . 81 V H . 15711 1 377 . 1 1 81 81 VAL C C 13 176.007 0.023 . 1 . . . . 81 V C . 15711 1 378 . 1 1 81 81 VAL CA C 13 62.482 0.017 . 1 . . . . 81 V CA . 15711 1 379 . 1 1 81 81 VAL CB C 13 33.005 0.030 . 1 . . . . 81 V CB . 15711 1 380 . 1 1 81 81 VAL N N 15 122.190 0.194 . 1 . . . . 81 V N . 15711 1 381 . 1 1 82 82 GLY H H 1 8.760 0.005 . 1 . . . . 82 G H . 15711 1 382 . 1 1 82 82 GLY CA C 13 45.120 0.030 . 1 . . . . 82 G CA . 15711 1 383 . 1 1 82 82 GLY N N 15 112.760 0.078 . 1 . . . . 82 G N . 15711 1 384 . 1 1 84 84 LEU C C 13 176.368 0.030 . 1 . . . . 84 L C . 15711 1 385 . 1 1 84 84 LEU CA C 13 55.333 0.030 . 1 . . . . 84 L CA . 15711 1 386 . 1 1 84 84 LEU CB C 13 42.066 0.030 . 1 . . . . 84 L CB . 15711 1 387 . 1 1 85 85 GLY H H 1 8.435 0.022 . 1 . . . . 85 G H . 15711 1 388 . 1 1 85 85 GLY C C 13 172.175 0.030 . 1 . . . . 85 G C . 15711 1 389 . 1 1 85 85 GLY CA C 13 44.642 0.018 . 1 . . . . 85 G CA . 15711 1 390 . 1 1 85 85 GLY N N 15 108.973 0.208 . 1 . . . . 85 G N . 15711 1 391 . 1 1 86 86 ASN H H 1 8.310 0.008 . 1 . . . . 86 N H . 15711 1 392 . 1 1 86 86 ASN C C 13 177.203 0.004 . 1 . . . . 86 N C . 15711 1 393 . 1 1 86 86 ASN CA C 13 52.678 0.030 . 1 . . . . 86 N CA . 15711 1 394 . 1 1 86 86 ASN CB C 13 41.964 0.011 . 1 . . . . 86 N CB . 15711 1 395 . 1 1 86 86 ASN N N 15 116.866 0.147 . 1 . . . . 86 N N . 15711 1 396 . 1 1 87 87 VAL H H 1 9.023 0.002 . 1 . . . . 87 V H . 15711 1 397 . 1 1 87 87 VAL C C 13 174.642 0.019 . 1 . . . . 87 V C . 15711 1 398 . 1 1 87 87 VAL CA C 13 59.191 0.041 . 1 . . . . 87 V CA . 15711 1 399 . 1 1 87 87 VAL CB C 13 32.729 0.001 . 1 . . . . 87 V CB . 15711 1 400 . 1 1 87 87 VAL N N 15 114.827 0.150 . 1 . . . . 87 V N . 15711 1 401 . 1 1 88 88 THR H H 1 8.600 0.005 . 1 . . . . 88 T H . 15711 1 402 . 1 1 88 88 THR C C 13 173.572 0.023 . 1 . . . . 88 T C . 15711 1 403 . 1 1 88 88 THR CA C 13 61.726 0.037 . 1 . . . . 88 T CA . 15711 1 404 . 1 1 88 88 THR CB C 13 70.055 0.030 . 1 . . . . 88 T CB . 15711 1 405 . 1 1 88 88 THR N N 15 118.586 0.076 . 1 . . . . 88 T N . 15711 1 406 . 1 1 89 89 ALA H H 1 9.217 0.005 . 1 . . . . 89 A H . 15711 1 407 . 1 1 89 89 ALA C C 13 177.564 0.001 . 1 . . . . 89 A C . 15711 1 408 . 1 1 89 89 ALA CA C 13 49.553 0.024 . 1 . . . . 89 A CA . 15711 1 409 . 1 1 89 89 ALA CB C 13 21.309 0.018 . 1 . . . . 89 A CB . 15711 1 410 . 1 1 89 89 ALA N N 15 129.339 0.085 . 1 . . . . 89 A N . 15711 1 411 . 1 1 90 90 ASP H H 1 8.501 0.004 . 1 . . . . 90 D H . 15711 1 412 . 1 1 90 90 ASP C C 13 177.142 0.071 . 1 . . . . 90 D C . 15711 1 413 . 1 1 90 90 ASP CA C 13 52.580 0.036 . 1 . . . . 90 D CA . 15711 1 414 . 1 1 90 90 ASP CB C 13 41.594 0.002 . 1 . . . . 90 D CB . 15711 1 415 . 1 1 90 90 ASP N N 15 125.078 0.088 . 1 . . . . 90 D N . 15711 1 416 . 1 1 91 91 LYS H H 1 8.186 0.003 . 1 . . . . 91 K H . 15711 1 417 . 1 1 91 91 LYS C C 13 177.246 0.030 . 1 . . . . 91 K C . 15711 1 418 . 1 1 91 91 LYS CA C 13 58.544 0.015 . 1 . . . . 91 K CA . 15711 1 419 . 1 1 91 91 LYS CB C 13 31.859 0.009 . 1 . . . . 91 K CB . 15711 1 420 . 1 1 91 91 LYS N N 15 115.281 0.056 . 1 . . . . 91 K N . 15711 1 421 . 1 1 92 92 ASP H H 1 8.159 0.006 . 1 . . . . 92 D H . 15711 1 422 . 1 1 92 92 ASP C C 13 176.292 0.030 . 1 . . . . 92 D C . 15711 1 423 . 1 1 92 92 ASP CA C 13 54.362 0.004 . 1 . . . . 92 D CA . 15711 1 424 . 1 1 92 92 ASP CB C 13 41.569 0.015 . 1 . . . . 92 D CB . 15711 1 425 . 1 1 92 92 ASP N N 15 119.712 0.130 . 1 . . . . 92 D N . 15711 1 426 . 1 1 93 93 GLY H H 1 8.432 0.004 . 1 . . . . 93 G H . 15711 1 427 . 1 1 93 93 GLY C C 13 172.915 0.030 . 1 . . . . 93 G C . 15711 1 428 . 1 1 93 93 GLY CA C 13 46.935 0.007 . 1 . . . . 93 G CA . 15711 1 429 . 1 1 93 93 GLY N N 15 111.536 0.108 . 1 . . . . 93 G N . 15711 1 430 . 1 1 94 94 VAL H H 1 7.950 0.007 . 1 . . . . 94 V H . 15711 1 431 . 1 1 94 94 VAL C C 13 176.543 0.003 . 1 . . . . 94 V C . 15711 1 432 . 1 1 94 94 VAL CA C 13 61.625 0.008 . 1 . . . . 94 V CA . 15711 1 433 . 1 1 94 94 VAL CB C 13 32.981 0.018 . 1 . . . . 94 V CB . 15711 1 434 . 1 1 94 94 VAL N N 15 119.525 0.099 . 1 . . . . 94 V N . 15711 1 435 . 1 1 95 95 ALA H H 1 9.581 0.002 . 1 . . . . 95 A H . 15711 1 436 . 1 1 95 95 ALA C C 13 174.885 0.011 . 1 . . . . 95 A C . 15711 1 437 . 1 1 95 95 ALA CA C 13 50.172 0.036 . 1 . . . . 95 A CA . 15711 1 438 . 1 1 95 95 ALA CB C 13 21.117 0.017 . 1 . . . . 95 A CB . 15711 1 439 . 1 1 95 95 ALA N N 15 131.370 0.101 . 1 . . . . 95 A N . 15711 1 440 . 1 1 96 96 ASP H H 1 8.617 0.003 . 1 . . . . 96 D H . 15711 1 441 . 1 1 96 96 ASP C C 13 175.577 0.012 . 1 . . . . 96 D C . 15711 1 442 . 1 1 96 96 ASP CA C 13 54.089 0.027 . 1 . . . . 96 D CA . 15711 1 443 . 1 1 96 96 ASP CB C 13 41.825 0.007 . 1 . . . . 96 D CB . 15711 1 444 . 1 1 96 96 ASP N N 15 125.337 0.101 . 1 . . . . 96 D N . 15711 1 445 . 1 1 97 97 VAL H H 1 8.638 0.008 . 1 . . . . 97 V H . 15711 1 446 . 1 1 97 97 VAL C C 13 176.623 0.003 . 1 . . . . 97 V C . 15711 1 447 . 1 1 97 97 VAL CA C 13 61.960 0.060 . 1 . . . . 97 V CA . 15711 1 448 . 1 1 97 97 VAL CB C 13 33.746 0.002 . 1 . . . . 97 V CB . 15711 1 449 . 1 1 97 97 VAL N N 15 125.112 0.083 . 1 . . . . 97 V N . 15711 1 450 . 1 1 98 98 SER H H 1 8.843 0.004 . 1 . . . . 98 S H . 15711 1 451 . 1 1 98 98 SER C C 13 173.069 0.022 . 1 . . . . 98 S C . 15711 1 452 . 1 1 98 98 SER CA C 13 58.295 0.037 . 1 . . . . 98 S CA . 15711 1 453 . 1 1 98 98 SER CB C 13 62.595 0.009 . 1 . . . . 98 S CB . 15711 1 454 . 1 1 98 98 SER N N 15 123.718 0.092 . 1 . . . . 98 S N . 15711 1 455 . 1 1 99 99 ILE H H 1 9.407 0.003 . 1 . . . . 99 I H . 15711 1 456 . 1 1 99 99 ILE C C 13 174.644 0.150 . 1 . . . . 99 I C . 15711 1 457 . 1 1 99 99 ILE CA C 13 60.285 0.058 . 1 . . . . 99 I CA . 15711 1 458 . 1 1 99 99 ILE CB C 13 44.266 0.029 . 1 . . . . 99 I CB . 15711 1 459 . 1 1 99 99 ILE N N 15 126.362 0.058 . 1 . . . . 99 I N . 15711 1 460 . 1 1 100 100 GLU H H 1 8.641 0.002 . 1 . . . . 100 E H . 15711 1 461 . 1 1 100 100 GLU C C 13 174.944 0.094 . 1 . . . . 100 E C . 15711 1 462 . 1 1 100 100 GLU CA C 13 55.690 0.038 . 1 . . . . 100 E CA . 15711 1 463 . 1 1 100 100 GLU CB C 13 32.399 0.030 . 1 . . . . 100 E CB . 15711 1 464 . 1 1 100 100 GLU N N 15 124.788 0.078 . 1 . . . . 100 E N . 15711 1 465 . 1 1 101 101 ASP H H 1 9.177 0.003 . 1 . . . . 101 D H . 15711 1 466 . 1 1 101 101 ASP C C 13 175.044 0.014 . 1 . . . . 101 D C . 15711 1 467 . 1 1 101 101 ASP CA C 13 53.932 0.034 . 1 . . . . 101 D CA . 15711 1 468 . 1 1 101 101 ASP CB C 13 46.177 0.009 . 1 . . . . 101 D CB . 15711 1 469 . 1 1 101 101 ASP N N 15 126.731 0.140 . 1 . . . . 101 D N . 15711 1 470 . 1 1 102 102 SER H H 1 8.922 0.008 . 1 . . . . 102 S H . 15711 1 471 . 1 1 102 102 SER C C 13 173.775 0.015 . 1 . . . . 102 S C . 15711 1 472 . 1 1 102 102 SER CA C 13 58.623 0.008 . 1 . . . . 102 S CA . 15711 1 473 . 1 1 102 102 SER CB C 13 64.159 0.006 . 1 . . . . 102 S CB . 15711 1 474 . 1 1 102 102 SER N N 15 119.413 0.053 . 1 . . . . 102 S N . 15711 1 475 . 1 1 103 103 VAL H H 1 8.817 0.022 . 1 . . . . 103 V H . 15711 1 476 . 1 1 103 103 VAL C C 13 177.795 0.005 . 1 . . . . 103 V C . 15711 1 477 . 1 1 103 103 VAL CA C 13 64.122 0.014 . 1 . . . . 103 V CA . 15711 1 478 . 1 1 103 103 VAL CB C 13 32.437 0.030 . 1 . . . . 103 V CB . 15711 1 479 . 1 1 103 103 VAL N N 15 122.809 0.268 . 1 . . . . 103 V N . 15711 1 480 . 1 1 104 104 ILE H H 1 7.793 0.026 . 1 . . . . 104 I H . 15711 1 481 . 1 1 104 104 ILE C C 13 173.034 0.020 . 1 . . . . 104 I C . 15711 1 482 . 1 1 104 104 ILE CA C 13 61.406 0.037 . 1 . . . . 104 I CA . 15711 1 483 . 1 1 104 104 ILE CB C 13 40.055 0.052 . 1 . . . . 104 I CB . 15711 1 484 . 1 1 104 104 ILE N N 15 113.520 0.174 . 1 . . . . 104 I N . 15711 1 485 . 1 1 105 105 SER H H 1 7.604 0.007 . 1 . . . . 105 S H . 15711 1 486 . 1 1 105 105 SER C C 13 173.897 0.015 . 1 . . . . 105 S C . 15711 1 487 . 1 1 105 105 SER CA C 13 56.261 0.063 . 1 . . . . 105 S CA . 15711 1 488 . 1 1 105 105 SER CB C 13 65.374 0.032 . 1 . . . . 105 S CB . 15711 1 489 . 1 1 105 105 SER N N 15 108.727 0.081 . 1 . . . . 105 S N . 15711 1 490 . 1 1 106 106 LEU H H 1 8.448 0.007 . 1 . . . . 106 L H . 15711 1 491 . 1 1 106 106 LEU C C 13 174.533 0.006 . 1 . . . . 106 L C . 15711 1 492 . 1 1 106 106 LEU CA C 13 54.621 0.019 . 1 . . . . 106 L CA . 15711 1 493 . 1 1 106 106 LEU CB C 13 41.317 0.002 . 1 . . . . 106 L CB . 15711 1 494 . 1 1 106 106 LEU N N 15 122.042 0.079 . 1 . . . . 106 L N . 15711 1 495 . 1 1 107 107 SER H H 1 8.217 0.004 . 1 . . . . 107 S H . 15711 1 496 . 1 1 107 107 SER C C 13 173.632 0.012 . 1 . . . . 107 S C . 15711 1 497 . 1 1 107 107 SER CA C 13 57.333 0.066 . 1 . . . . 107 S CA . 15711 1 498 . 1 1 107 107 SER CB C 13 65.874 0.036 . 1 . . . . 107 S CB . 15711 1 499 . 1 1 107 107 SER N N 15 112.458 0.084 . 1 . . . . 107 S N . 15711 1 500 . 1 1 108 108 GLY H H 1 8.617 0.003 . 1 . . . . 108 G H . 15711 1 501 . 1 1 108 108 GLY C C 13 175.340 0.030 . 1 . . . . 108 G C . 15711 1 502 . 1 1 108 108 GLY CA C 13 44.816 0.008 . 1 . . . . 108 G CA . 15711 1 503 . 1 1 108 108 GLY N N 15 108.606 0.095 . 1 . . . . 108 G N . 15711 1 504 . 1 1 109 109 ASP H H 1 8.610 0.002 . 1 . . . . 109 D H . 15711 1 505 . 1 1 109 109 ASP C C 13 176.993 0.010 . 1 . . . . 109 D C . 15711 1 506 . 1 1 109 109 ASP CA C 13 56.459 0.025 . 1 . . . . 109 D CA . 15711 1 507 . 1 1 109 109 ASP CB C 13 40.485 0.025 . 1 . . . . 109 D CB . 15711 1 508 . 1 1 109 109 ASP N N 15 119.721 0.112 . 1 . . . . 109 D N . 15711 1 509 . 1 1 110 110 HIS H H 1 8.844 0.007 . 1 . . . . 110 H H . 15711 1 510 . 1 1 110 110 HIS C C 13 173.755 0.011 . 1 . . . . 110 H C . 15711 1 511 . 1 1 110 110 HIS CA C 13 53.707 0.051 . 1 . . . . 110 H CA . 15711 1 512 . 1 1 110 110 HIS CB C 13 27.696 0.020 . 1 . . . . 110 H CB . 15711 1 513 . 1 1 110 110 HIS N N 15 116.776 0.122 . 1 . . . . 110 H N . 15711 1 514 . 1 1 111 111 ALA H H 1 7.086 0.005 . 1 . . . . 111 A H . 15711 1 515 . 1 1 111 111 ALA C C 13 179.475 0.004 . 1 . . . . 111 A C . 15711 1 516 . 1 1 111 111 ALA CA C 13 52.319 0.019 . 1 . . . . 111 A CA . 15711 1 517 . 1 1 111 111 ALA CB C 13 19.695 0.014 . 1 . . . . 111 A CB . 15711 1 518 . 1 1 111 111 ALA N N 15 121.311 0.076 . 1 . . . . 111 A N . 15711 1 519 . 1 1 112 112 ILE H H 1 7.822 0.004 . 1 . . . . 112 I H . 15711 1 520 . 1 1 112 112 ILE C C 13 175.193 0.018 . 1 . . . . 112 I C . 15711 1 521 . 1 1 112 112 ILE CA C 13 61.776 0.177 . 1 . . . . 112 I CA . 15711 1 522 . 1 1 112 112 ILE CB C 13 37.524 0.008 . 1 . . . . 112 I CB . 15711 1 523 . 1 1 112 112 ILE N N 15 108.791 0.079 . 1 . . . . 112 I N . 15711 1 524 . 1 1 113 113 ILE H H 1 6.231 0.004 . 1 . . . . 113 I H . 15711 1 525 . 1 1 113 113 ILE C C 13 176.850 0.003 . 1 . . . . 113 I C . 15711 1 526 . 1 1 113 113 ILE CA C 13 61.565 0.010 . 1 . . . . 113 I CA . 15711 1 527 . 1 1 113 113 ILE CB C 13 35.602 0.020 . 1 . . . . 113 I CB . 15711 1 528 . 1 1 113 113 ILE N N 15 118.526 0.083 . 1 . . . . 113 I N . 15711 1 529 . 1 1 114 114 GLY H H 1 9.228 0.003 . 1 . . . . 114 G H . 15711 1 530 . 1 1 114 114 GLY C C 13 174.481 0.023 . 1 . . . . 114 G C . 15711 1 531 . 1 1 114 114 GLY CA C 13 45.131 0.015 . 1 . . . . 114 G CA . 15711 1 532 . 1 1 114 114 GLY N N 15 116.963 0.091 . 1 . . . . 114 G N . 15711 1 533 . 1 1 115 115 ARG H H 1 7.795 0.003 . 1 . . . . 115 R H . 15711 1 534 . 1 1 115 115 ARG C C 13 174.195 0.012 . 1 . . . . 115 R C . 15711 1 535 . 1 1 115 115 ARG CA C 13 55.536 0.024 . 1 . . . . 115 R CA . 15711 1 536 . 1 1 115 115 ARG CB C 13 30.329 0.030 . 1 . . . . 115 R CB . 15711 1 537 . 1 1 115 115 ARG N N 15 119.041 0.123 . 1 . . . . 115 R N . 15711 1 538 . 1 1 116 116 THR H H 1 8.403 0.019 . 1 . . . . 116 T H . 15711 1 539 . 1 1 116 116 THR C C 13 173.139 0.002 . 1 . . . . 116 T C . 15711 1 540 . 1 1 116 116 THR CA C 13 62.117 0.036 . 1 . . . . 116 T CA . 15711 1 541 . 1 1 116 116 THR N N 15 113.615 0.246 . 1 . . . . 116 T N . 15711 1 542 . 1 1 117 117 LEU H H 1 9.193 0.004 . 1 . . . . 117 L H . 15711 1 543 . 1 1 117 117 LEU C C 13 174.620 0.005 . 1 . . . . 117 L C . 15711 1 544 . 1 1 117 117 LEU CA C 13 53.679 0.010 . 1 . . . . 117 L CA . 15711 1 545 . 1 1 117 117 LEU CB C 13 43.958 0.009 . 1 . . . . 117 L CB . 15711 1 546 . 1 1 117 117 LEU N N 15 129.472 0.203 . 1 . . . . 117 L N . 15711 1 547 . 1 1 118 118 VAL H H 1 9.042 0.008 . 1 . . . . 118 V H . 15711 1 548 . 1 1 118 118 VAL C C 13 174.886 0.030 . 1 . . . . 118 V C . 15711 1 549 . 1 1 118 118 VAL CA C 13 60.466 0.019 . 1 . . . . 118 V CA . 15711 1 550 . 1 1 118 118 VAL CB C 13 36.265 0.030 . 1 . . . . 118 V CB . 15711 1 551 . 1 1 118 118 VAL N N 15 123.845 0.156 . 1 . . . . 118 V N . 15711 1 552 . 1 1 119 119 VAL C C 13 174.632 0.030 . 1 . . . . 119 V C . 15711 1 553 . 1 1 119 119 VAL CB C 13 34.044 0.030 . 1 . . . . 119 V CB . 15711 1 554 . 1 1 120 120 HIS H H 1 9.381 0.020 . 1 . . . . 120 H H . 15711 1 555 . 1 1 120 120 HIS C C 13 175.212 0.006 . 1 . . . . 120 H C . 15711 1 556 . 1 1 120 120 HIS CA C 13 56.343 0.067 . 1 . . . . 120 H CA . 15711 1 557 . 1 1 120 120 HIS CB C 13 32.323 0.030 . 1 . . . . 120 H CB . 15711 1 558 . 1 1 120 120 HIS N N 15 128.101 0.039 . 1 . . . . 120 H N . 15711 1 559 . 1 1 121 121 GLU H H 1 8.838 0.012 . 1 . . . . 121 E H . 15711 1 560 . 1 1 121 121 GLU C C 13 176.840 0.008 . 1 . . . . 121 E C . 15711 1 561 . 1 1 121 121 GLU CA C 13 59.492 0.011 . 1 . . . . 121 E CA . 15711 1 562 . 1 1 121 121 GLU CB C 13 31.468 0.075 . 1 . . . . 121 E CB . 15711 1 563 . 1 1 121 121 GLU N N 15 122.406 0.165 . 1 . . . . 121 E N . 15711 1 564 . 1 1 122 122 LYS H H 1 8.752 0.034 . 1 . . . . 122 K H . 15711 1 565 . 1 1 122 122 LYS C C 13 176.222 0.002 . 1 . . . . 122 K C . 15711 1 566 . 1 1 122 122 LYS CA C 13 54.953 0.072 . 1 . . . . 122 K CA . 15711 1 567 . 1 1 122 122 LYS CB C 13 34.153 0.003 . 1 . . . . 122 K CB . 15711 1 568 . 1 1 122 122 LYS N N 15 118.556 0.402 . 1 . . . . 122 K N . 15711 1 569 . 1 1 123 123 ALA H H 1 8.278 0.008 . 1 . . . . 123 A H . 15711 1 570 . 1 1 123 123 ALA C C 13 177.399 0.018 . 1 . . . . 123 A C . 15711 1 571 . 1 1 123 123 ALA CA C 13 51.876 0.014 . 1 . . . . 123 A CA . 15711 1 572 . 1 1 123 123 ALA CB C 13 20.171 0.036 . 1 . . . . 123 A CB . 15711 1 573 . 1 1 123 123 ALA N N 15 124.495 0.146 . 1 . . . . 123 A N . 15711 1 574 . 1 1 124 124 ASP H H 1 9.220 0.060 . 1 . . . . 124 D H . 15711 1 575 . 1 1 124 124 ASP C C 13 176.399 0.008 . 1 . . . . 124 D C . 15711 1 576 . 1 1 124 124 ASP CA C 13 54.445 0.048 . 1 . . . . 124 D CA . 15711 1 577 . 1 1 124 124 ASP CB C 13 41.034 0.011 . 1 . . . . 124 D CB . 15711 1 578 . 1 1 124 124 ASP N N 15 120.948 0.077 . 1 . . . . 124 D N . 15711 1 579 . 1 1 125 125 ASP H H 1 8.553 0.014 . 1 . . . . 125 D H . 15711 1 580 . 1 1 125 125 ASP C C 13 176.377 0.012 . 1 . . . . 125 D C . 15711 1 581 . 1 1 125 125 ASP CA C 13 54.066 0.025 . 1 . . . . 125 D CA . 15711 1 582 . 1 1 125 125 ASP CB C 13 41.366 0.027 . 1 . . . . 125 D CB . 15711 1 583 . 1 1 125 125 ASP N N 15 122.828 0.022 . 1 . . . . 125 D N . 15711 1 584 . 1 1 126 126 LEU H H 1 8.407 0.008 . 1 . . . . 126 L H . 15711 1 585 . 1 1 126 126 LEU C C 13 178.105 0.004 . 1 . . . . 126 L C . 15711 1 586 . 1 1 126 126 LEU CA C 13 55.565 0.023 . 1 . . . . 126 L CA . 15711 1 587 . 1 1 126 126 LEU CB C 13 41.669 0.014 . 1 . . . . 126 L CB . 15711 1 588 . 1 1 126 126 LEU N N 15 122.528 0.053 . 1 . . . . 126 L N . 15711 1 589 . 1 1 127 127 GLY H H 1 8.506 0.005 . 1 . . . . 127 G H . 15711 1 590 . 1 1 127 127 GLY C C 13 174.668 0.030 . 1 . . . . 127 G C . 15711 1 591 . 1 1 127 127 GLY CA C 13 45.627 0.026 . 1 . . . . 127 G CA . 15711 1 592 . 1 1 127 127 GLY N N 15 108.892 0.091 . 1 . . . . 127 G N . 15711 1 593 . 1 1 128 128 LYS H H 1 8.117 0.005 . 1 . . . . 128 K H . 15711 1 594 . 1 1 128 128 LYS C C 13 177.291 0.007 . 1 . . . . 128 K C . 15711 1 595 . 1 1 128 128 LYS CA C 13 56.355 0.039 . 1 . . . . 128 K CA . 15711 1 596 . 1 1 128 128 LYS CB C 13 32.890 0.026 . 1 . . . . 128 K CB . 15711 1 597 . 1 1 128 128 LYS N N 15 120.474 0.091 . 1 . . . . 128 K N . 15711 1 598 . 1 1 129 129 GLY H H 1 8.516 0.003 . 1 . . . . 129 G H . 15711 1 599 . 1 1 129 129 GLY C C 13 174.726 0.015 . 1 . . . . 129 G C . 15711 1 600 . 1 1 129 129 GLY CA C 13 45.399 0.011 . 1 . . . . 129 G CA . 15711 1 601 . 1 1 129 129 GLY N N 15 109.759 0.079 . 1 . . . . 129 G N . 15711 1 602 . 1 1 130 130 GLY H H 1 8.330 0.005 . 1 . . . . 130 G H . 15711 1 603 . 1 1 130 130 GLY C C 13 174.103 0.016 . 1 . . . . 130 G C . 15711 1 604 . 1 1 130 130 GLY CA C 13 45.375 0.003 . 1 . . . . 130 G CA . 15711 1 605 . 1 1 130 130 GLY N N 15 108.807 0.090 . 1 . . . . 130 G N . 15711 1 606 . 1 1 131 131 ASN H H 1 8.376 0.003 . 1 . . . . 131 N H . 15711 1 607 . 1 1 131 131 ASN C C 13 175.520 0.026 . 1 . . . . 131 N C . 15711 1 608 . 1 1 131 131 ASN CA C 13 53.287 0.016 . 1 . . . . 131 N CA . 15711 1 609 . 1 1 131 131 ASN CB C 13 39.041 0.011 . 1 . . . . 131 N CB . 15711 1 610 . 1 1 131 131 ASN N N 15 118.513 0.085 . 1 . . . . 131 N N . 15711 1 611 . 1 1 132 132 GLU H H 1 8.575 0.005 . 1 . . . . 132 E H . 15711 1 612 . 1 1 132 132 GLU C C 13 176.877 0.006 . 1 . . . . 132 E C . 15711 1 613 . 1 1 132 132 GLU CA C 13 57.355 0.030 . 1 . . . . 132 E CA . 15711 1 614 . 1 1 132 132 GLU CB C 13 29.927 0.013 . 1 . . . . 132 E CB . 15711 1 615 . 1 1 132 132 GLU N N 15 120.950 0.104 . 1 . . . . 132 E N . 15711 1 616 . 1 1 133 133 GLU H H 1 8.453 0.003 . 1 . . . . 133 E H . 15711 1 617 . 1 1 133 133 GLU C C 13 177.179 0.018 . 1 . . . . 133 E C . 15711 1 618 . 1 1 133 133 GLU CA C 13 57.265 0.044 . 1 . . . . 133 E CA . 15711 1 619 . 1 1 133 133 GLU CB C 13 30.015 0.027 . 1 . . . . 133 E CB . 15711 1 620 . 1 1 133 133 GLU N N 15 121.050 0.078 . 1 . . . . 133 E N . 15711 1 621 . 1 1 134 134 SER H H 1 8.300 0.002 . 1 . . . . 134 S H . 15711 1 622 . 1 1 134 134 SER C C 13 175.287 0.027 . 1 . . . . 134 S C . 15711 1 623 . 1 1 134 134 SER CA C 13 59.145 0.048 . 1 . . . . 134 S CA . 15711 1 624 . 1 1 134 134 SER CB C 13 63.603 0.019 . 1 . . . . 134 S CB . 15711 1 625 . 1 1 134 134 SER N N 15 115.926 0.078 . 1 . . . . 134 S N . 15711 1 626 . 1 1 135 135 THR H H 1 8.044 0.003 . 1 . . . . 135 T H . 15711 1 627 . 1 1 135 135 THR C C 13 174.845 0.099 . 1 . . . . 135 T C . 15711 1 628 . 1 1 135 135 THR CA C 13 62.378 0.049 . 1 . . . . 135 T CA . 15711 1 629 . 1 1 135 135 THR CB C 13 69.452 0.084 . 1 . . . . 135 T CB . 15711 1 630 . 1 1 135 135 THR N N 15 114.748 0.089 . 1 . . . . 135 T N . 15711 1 631 . 1 1 136 136 LYS H H 1 8.196 0.003 . 1 . . . . 136 K H . 15711 1 632 . 1 1 136 136 LYS C C 13 176.947 0.003 . 1 . . . . 136 K C . 15711 1 633 . 1 1 136 136 LYS CA C 13 56.789 0.043 . 1 . . . . 136 K CA . 15711 1 634 . 1 1 136 136 LYS CB C 13 32.978 0.003 . 1 . . . . 136 K CB . 15711 1 635 . 1 1 136 136 LYS N N 15 122.778 0.119 . 1 . . . . 136 K N . 15711 1 636 . 1 1 137 137 THR H H 1 8.084 0.003 . 1 . . . . 137 T H . 15711 1 637 . 1 1 137 137 THR C C 13 175.290 0.008 . 1 . . . . 137 T C . 15711 1 638 . 1 1 137 137 THR CA C 13 62.028 0.033 . 1 . . . . 137 T CA . 15711 1 639 . 1 1 137 137 THR CB C 13 69.987 0.161 . 1 . . . . 137 T CB . 15711 1 640 . 1 1 137 137 THR N N 15 113.282 0.101 . 1 . . . . 137 T N . 15711 1 641 . 1 1 138 138 GLY H H 1 8.381 0.003 . 1 . . . . 138 G H . 15711 1 642 . 1 1 138 138 GLY C C 13 174.003 0.012 . 1 . . . . 138 G C . 15711 1 643 . 1 1 138 138 GLY CA C 13 45.557 0.015 . 1 . . . . 138 G CA . 15711 1 644 . 1 1 138 138 GLY N N 15 111.079 0.084 . 1 . . . . 138 G N . 15711 1 645 . 1 1 139 139 ASN H H 1 8.316 0.001 . 1 . . . . 139 N H . 15711 1 646 . 1 1 139 139 ASN C C 13 175.018 0.015 . 1 . . . . 139 N C . 15711 1 647 . 1 1 139 139 ASN CA C 13 53.291 0.170 . 1 . . . . 139 N CA . 15711 1 648 . 1 1 139 139 ASN CB C 13 39.178 0.003 . 1 . . . . 139 N CB . 15711 1 649 . 1 1 139 139 ASN N N 15 118.536 0.084 . 1 . . . . 139 N N . 15711 1 650 . 1 1 140 140 ALA H H 1 8.350 0.005 . 1 . . . . 140 A H . 15711 1 651 . 1 1 140 140 ALA C C 13 177.607 0.005 . 1 . . . . 140 A C . 15711 1 652 . 1 1 140 140 ALA CA C 13 52.870 0.013 . 1 . . . . 140 A CA . 15711 1 653 . 1 1 140 140 ALA CB C 13 18.584 0.011 . 1 . . . . 140 A CB . 15711 1 654 . 1 1 140 140 ALA N N 15 123.902 0.085 . 1 . . . . 140 A N . 15711 1 655 . 1 1 141 141 GLY H H 1 8.249 0.005 . 1 . . . . 141 G H . 15711 1 656 . 1 1 141 141 GLY C C 13 174.821 0.006 . 1 . . . . 141 G C . 15711 1 657 . 1 1 141 141 GLY CA C 13 45.238 0.020 . 1 . . . . 141 G CA . 15711 1 658 . 1 1 141 141 GLY N N 15 106.442 0.113 . 1 . . . . 141 G N . 15711 1 659 . 1 1 142 142 SER H H 1 8.694 0.003 . 1 . . . . 142 S H . 15711 1 660 . 1 1 142 142 SER C C 13 174.229 0.016 . 1 . . . . 142 S C . 15711 1 661 . 1 1 142 142 SER CA C 13 59.179 0.042 . 1 . . . . 142 S CA . 15711 1 662 . 1 1 142 142 SER CB C 13 64.002 0.029 . 1 . . . . 142 S CB . 15711 1 663 . 1 1 142 142 SER N N 15 117.258 0.087 . 1 . . . . 142 S N . 15711 1 664 . 1 1 143 143 ARG H H 1 8.685 0.004 . 1 . . . . 143 R H . 15711 1 665 . 1 1 143 143 ARG C C 13 175.224 0.030 . 1 . . . . 143 R C . 15711 1 666 . 1 1 143 143 ARG CA C 13 56.281 0.009 . 1 . . . . 143 R CA . 15711 1 667 . 1 1 143 143 ARG CB C 13 30.701 0.030 . 1 . . . . 143 R CB . 15711 1 668 . 1 1 143 143 ARG N N 15 121.887 0.079 . 1 . . . . 143 R N . 15711 1 669 . 1 1 145 145 ALA C C 13 175.190 0.002 . 1 . . . . 145 A C . 15711 1 670 . 1 1 145 145 ALA CA C 13 51.522 0.021 . 1 . . . . 145 A CA . 15711 1 671 . 1 1 145 145 ALA CB C 13 21.918 0.007 . 1 . . . . 145 A CB . 15711 1 672 . 1 1 146 146 CYS H H 1 8.692 0.005 . 1 . . . . 146 C H . 15711 1 673 . 1 1 146 146 CYS C C 13 173.839 0.003 . 1 . . . . 146 C C . 15711 1 674 . 1 1 146 146 CYS CA C 13 54.994 0.041 . 1 . . . . 146 C CA . 15711 1 675 . 1 1 146 146 CYS CB C 13 45.520 0.045 . 1 . . . . 146 C CB . 15711 1 676 . 1 1 146 146 CYS N N 15 116.212 0.019 . 1 . . . . 146 C N . 15711 1 677 . 1 1 147 147 GLY H H 1 8.659 0.004 . 1 . . . . 147 G H . 15711 1 678 . 1 1 147 147 GLY C C 13 171.368 0.006 . 1 . . . . 147 G C . 15711 1 679 . 1 1 147 147 GLY CA C 13 46.665 0.015 . 1 . . . . 147 G CA . 15711 1 680 . 1 1 147 147 GLY N N 15 110.851 0.025 . 1 . . . . 147 G N . 15711 1 681 . 1 1 148 148 VAL H H 1 8.796 0.002 . 1 . . . . 148 V H . 15711 1 682 . 1 1 148 148 VAL C C 13 176.156 0.004 . 1 . . . . 148 V C . 15711 1 683 . 1 1 148 148 VAL CA C 13 62.697 0.144 . 1 . . . . 148 V CA . 15711 1 684 . 1 1 148 148 VAL CB C 13 32.608 0.010 . 1 . . . . 148 V CB . 15711 1 685 . 1 1 148 148 VAL N N 15 124.646 0.113 . 1 . . . . 148 V N . 15711 1 686 . 1 1 149 149 ILE H H 1 8.692 0.006 . 1 . . . . 149 I H . 15711 1 687 . 1 1 149 149 ILE C C 13 175.708 0.009 . 1 . . . . 149 I C . 15711 1 688 . 1 1 149 149 ILE CA C 13 62.316 0.045 . 1 . . . . 149 I CA . 15711 1 689 . 1 1 149 149 ILE CB C 13 37.620 0.027 . 1 . . . . 149 I CB . 15711 1 690 . 1 1 149 149 ILE N N 15 128.755 0.103 . 1 . . . . 149 I N . 15711 1 691 . 1 1 150 150 GLY H H 1 8.904 0.004 . 1 . . . . 150 G H . 15711 1 692 . 1 1 150 150 GLY C C 13 172.541 0.030 . 1 . . . . 150 G C . 15711 1 693 . 1 1 150 150 GLY CA C 13 43.689 0.018 . 1 . . . . 150 G CA . 15711 1 694 . 1 1 150 150 GLY N N 15 118.002 0.080 . 1 . . . . 150 G N . 15711 1 695 . 1 1 151 151 ILE H H 1 8.556 0.004 . 1 . . . . 151 I H . 15711 1 696 . 1 1 151 151 ILE C C 13 175.424 0.002 . 1 . . . . 151 I C . 15711 1 697 . 1 1 151 151 ILE CA C 13 61.494 0.034 . 1 . . . . 151 I CA . 15711 1 698 . 1 1 151 151 ILE CB C 13 38.403 0.004 . 1 . . . . 151 I CB . 15711 1 699 . 1 1 151 151 ILE N N 15 121.224 0.103 . 1 . . . . 151 I N . 15711 1 700 . 1 1 152 152 ALA H H 1 8.274 0.004 . 1 . . . . 152 A H . 15711 1 701 . 1 1 152 152 ALA C C 13 175.406 0.011 . 1 . . . . 152 A C . 15711 1 702 . 1 1 152 152 ALA CA C 13 51.196 0.049 . 1 . . . . 152 A CA . 15711 1 703 . 1 1 152 152 ALA CB C 13 20.634 0.031 . 1 . . . . 152 A CB . 15711 1 704 . 1 1 152 152 ALA N N 15 131.055 0.104 . 1 . . . . 152 A N . 15711 1 705 . 1 1 153 153 GLN H H 1 8.043 0.001 . 1 . . . . 153 Q H . 15711 1 706 . 1 1 153 153 GLN C C 13 176.635 0.030 . 1 . . . . 153 Q C . 15711 1 707 . 1 1 153 153 GLN CA C 13 57.352 0.006 . 1 . . . . 153 Q CA . 15711 1 708 . 1 1 153 153 GLN CB C 13 30.666 0.030 . 1 . . . . 153 Q CB . 15711 1 709 . 1 1 153 153 GLN N N 15 124.927 0.082 . 1 . . . . 153 Q N . 15711 1 710 . 2 1 60 60 ALA H H 1 8.351 0.004 . 6 . . . . 60 A H . 15711 1 711 . 2 1 60 60 ALA C C 13 177.581 0.004 . 6 . . . . 60 A C . 15711 1 712 . 2 1 60 60 ALA CA C 13 52.648 0.033 . 6 . . . . 60 A CA . 15711 1 713 . 2 1 60 60 ALA CB C 13 19.551 0.028 . 6 . . . . 60 A CB . 15711 1 714 . 2 1 60 60 ALA N N 15 125.650 0.055 . 6 . . . . 60 A N . 15711 1 715 . 2 1 61 61 GLY H H 1 8.053 0.003 . 6 . . . . 61 G H . 15711 1 716 . 2 1 61 61 GLY C C 13 171.745 0.000 . 6 . . . . 61 G C . 15711 1 717 . 2 1 61 61 GLY CA C 13 43.672 0.007 . 6 . . . . 61 G CA . 15711 1 718 . 2 1 61 61 GLY N N 15 107.379 0.117 . 6 . . . . 61 G N . 15711 1 719 . 2 1 62 62 PRO C C 13 176.899 0.008 . 6 . . . . 62 P C . 15711 1 720 . 2 1 62 62 PRO CA C 13 63.229 0.042 . 6 . . . . 62 P CA . 15711 1 721 . 2 1 62 62 PRO CB C 13 32.159 0.000 . 6 . . . . 62 P CB . 15711 1 722 . 2 1 63 63 HIS H H 1 8.502 0.025 . 6 . . . . 63 H H . 15711 1 723 . 2 1 63 63 HIS C C 13 174.115 0.016 . 6 . . . . 63 H C . 15711 1 724 . 2 1 63 63 HIS CA C 13 55.316 0.003 . 6 . . . . 63 H CA . 15711 1 725 . 2 1 63 63 HIS CB C 13 29.403 0.005 . 6 . . . . 63 H CB . 15711 1 726 . 2 1 63 63 HIS N N 15 118.557 0.132 . 6 . . . . 63 H N . 15711 1 727 . 2 1 64 64 PHE H H 1 8.172 0.018 . 6 . . . . 64 F H . 15711 1 728 . 2 1 64 64 PHE C C 13 174.494 0.011 . 6 . . . . 64 F C . 15711 1 729 . 2 1 64 64 PHE CA C 13 57.637 0.039 . 6 . . . . 64 F CA . 15711 1 730 . 2 1 64 64 PHE CB C 13 39.904 0.012 . 6 . . . . 64 F CB . 15711 1 731 . 2 1 64 64 PHE N N 15 121.876 0.050 . 6 . . . . 64 F N . 15711 1 732 . 2 1 65 65 ASN H H 1 8.438 0.005 . 6 . . . . 65 N H . 15711 1 733 . 2 1 65 65 ASN CA C 13 50.450 0.002 . 6 . . . . 65 N CA . 15711 1 734 . 2 1 65 65 ASN N N 15 123.202 0.081 . 6 . . . . 65 N N . 15711 1 735 . 2 1 72 72 GLY H H 1 8.441 0.007 . 6 . . . . 72 G H . 15711 1 736 . 2 1 72 72 GLY C C 13 174.088 0.011 . 6 . . . . 72 G C . 15711 1 737 . 2 1 72 72 GLY CA C 13 45.246 0.028 . 6 . . . . 72 G CA . 15711 1 738 . 2 1 72 72 GLY N N 15 110.368 0.134 . 6 . . . . 72 G N . 15711 1 739 . 2 1 73 73 GLY H H 1 8.195 0.003 . 6 . . . . 73 G H . 15711 1 740 . 2 1 73 73 GLY C C 13 172.092 0.000 . 6 . . . . 73 G C . 15711 1 741 . 2 1 73 73 GLY CA C 13 44.265 0.015 . 6 . . . . 73 G CA . 15711 1 742 . 2 1 73 73 GLY N N 15 108.829 0.115 . 6 . . . . 73 G N . 15711 1 stop_ save_