################################### # 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 50776 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'ClpS1 assignment' _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 HNCO' . . . 50776 1 2 '3D HN(CA)CO' . . . 50776 1 3 '3D CBCACONH' . . . 50776 1 4 '3D HNCACB' . . . 50776 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 . . 50776 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 2 2 ALA C C 13 177.29 . . . . . . . . 2 ALA C . 50776 1 2 . 1 . 1 2 2 ALA CA C 13 52.28 . . . . . . . . 2 ALA CA . 50776 1 3 . 1 . 1 2 2 ALA CB C 13 19.32 . . . . . . . . 2 ALA CB . 50776 1 4 . 1 . 1 3 3 ALA H H 1 8.33 . . . . . . . . 3 ALA H . 50776 1 5 . 1 . 1 3 3 ALA C C 13 177.59 . . . . . . . . 3 ALA C . 50776 1 6 . 1 . 1 3 3 ALA CA C 13 52.28 . . . . . . . . 3 ALA CA . 50776 1 7 . 1 . 1 3 3 ALA CB C 13 19.17 . . . . . . . . 3 ALA CB . 50776 1 8 . 1 . 1 3 3 ALA N N 15 124.09 . . . . . . . . 3 ALA N . 50776 1 9 . 1 . 1 4 4 LEU H H 1 8.21 . . . . . . . . 4 LEU H . 50776 1 10 . 1 . 1 4 4 LEU C C 13 178.07 . . . . . . . . 4 LEU C . 50776 1 11 . 1 . 1 4 4 LEU CA C 13 55.37 . . . . . . . . 4 LEU CA . 50776 1 12 . 1 . 1 4 4 LEU CB C 13 42.56 . . . . . . . . 4 LEU CB . 50776 1 13 . 1 . 1 4 4 LEU N N 15 121.8 . . . . . . . . 4 LEU N . 50776 1 14 . 1 . 1 5 5 GLY H H 1 8.35 . . . . . . . . 5 GLY H . 50776 1 15 . 1 . 1 5 5 GLY C C 13 174.31 . . . . . . . . 5 GLY C . 50776 1 16 . 1 . 1 5 5 GLY CA C 13 45.21 . . . . . . . . 5 GLY CA . 50776 1 17 . 1 . 1 5 5 GLY N N 15 109.58 . . . . . . . . 5 GLY N . 50776 1 18 . 1 . 1 6 6 LYS H H 1 8.13 . . . . . . . . 6 LYS H . 50776 1 19 . 1 . 1 6 6 LYS C C 13 176.66 . . . . . . . . 6 LYS C . 50776 1 20 . 1 . 1 6 6 LYS CA C 13 56.17 . . . . . . . . 6 LYS CA . 50776 1 21 . 1 . 1 6 6 LYS CB C 13 32.72 . . . . . . . . 6 LYS CB . 50776 1 22 . 1 . 1 6 6 LYS N N 15 120.55 . . . . . . . . 6 LYS N . 50776 1 23 . 1 . 1 7 7 GLY C C 13 174.61 . . . . . . . . 7 GLY C . 50776 1 24 . 1 . 1 7 7 GLY CA C 13 45.27 . . . . . . . . 7 GLY CA . 50776 1 25 . 1 . 1 8 8 GLY H H 1 8.19 . . . . . . . . 8 GLY H . 50776 1 26 . 1 . 1 8 8 GLY C C 13 174.79 . . . . . . . . 8 GLY C . 50776 1 27 . 1 . 1 8 8 GLY CA C 13 45.2 . . . . . . . . 8 GLY CA . 50776 1 28 . 1 . 1 8 8 GLY N N 15 108.51 . . . . . . . . 8 GLY N . 50776 1 29 . 1 . 1 9 9 GLY H H 1 8.26 . . . . . . . . 9 GLY H . 50776 1 30 . 1 . 1 9 9 GLY C C 13 174.19 . . . . . . . . 9 GLY C . 50776 1 31 . 1 . 1 9 9 GLY CA C 13 45.2 . . . . . . . . 9 GLY CA . 50776 1 32 . 1 . 1 9 9 GLY N N 15 108.58 . . . . . . . . 9 GLY N . 50776 1 33 . 1 . 1 10 10 VAL H H 1 7.96 . . . . . . . . 10 VAL H . 50776 1 34 . 1 . 1 10 10 VAL C C 13 176.39 . . . . . . . . 10 VAL C . 50776 1 35 . 1 . 1 10 10 VAL CA C 13 62.62 . . . . . . . . 10 VAL CA . 50776 1 36 . 1 . 1 10 10 VAL CB C 13 32.66 . . . . . . . . 10 VAL CB . 50776 1 37 . 1 . 1 10 10 VAL N N 15 119.23 . . . . . . . . 10 VAL N . 50776 1 38 . 1 . 1 11 11 LEU H H 1 8.26 . . . . . . . . 11 LEU H . 50776 1 39 . 1 . 1 11 11 LEU C C 13 177.01 . . . . . . . . 11 LEU C . 50776 1 40 . 1 . 1 11 11 LEU CA C 13 54.93 . . . . . . . . 11 LEU CA . 50776 1 41 . 1 . 1 11 11 LEU CB C 13 42.3 . . . . . . . . 11 LEU CB . 50776 1 42 . 1 . 1 11 11 LEU N N 15 125.13 . . . . . . . . 11 LEU N . 50776 1 43 . 1 . 1 12 12 ASP H H 1 8.13 . . . . . . . . 12 ASP H . 50776 1 44 . 1 . 1 12 12 ASP C C 13 175.67 . . . . . . . . 12 ASP C . 50776 1 45 . 1 . 1 12 12 ASP CA C 13 54.41 . . . . . . . . 12 ASP CA . 50776 1 46 . 1 . 1 12 12 ASP CB C 13 41.22 . . . . . . . . 12 ASP CB . 50776 1 47 . 1 . 1 12 12 ASP N N 15 121.29 . . . . . . . . 12 ASP N . 50776 1 48 . 1 . 1 13 13 LYS H H 1 7.95 . . . . . . . . 13 LYS H . 50776 1 49 . 1 . 1 13 13 LYS C C 13 174.19 . . . . . . . . 13 LYS C . 50776 1 50 . 1 . 1 13 13 LYS CA C 13 54.19 . . . . . . . . 13 LYS CA . 50776 1 51 . 1 . 1 13 13 LYS CB C 13 32.81 . . . . . . . . 13 LYS CB . 50776 1 52 . 1 . 1 13 13 LYS N N 15 121.96 . . . . . . . . 13 LYS N . 50776 1 53 . 1 . 1 14 14 PRO C C 13 176.75 . . . . . . . . 14 PRO C . 50776 1 54 . 1 . 1 14 14 PRO CA C 13 63.24 . . . . . . . . 14 PRO CA . 50776 1 55 . 1 . 1 14 14 PRO CB C 13 32.13 . . . . . . . . 14 PRO CB . 50776 1 56 . 1 . 1 15 15 ILE H H 1 8.19 . . . . . . . . 15 ILE H . 50776 1 57 . 1 . 1 15 15 ILE C C 13 176.32 . . . . . . . . 15 ILE C . 50776 1 58 . 1 . 1 15 15 ILE CA C 13 61.21 . . . . . . . . 15 ILE CA . 50776 1 59 . 1 . 1 15 15 ILE CB C 13 38.41 . . . . . . . . 15 ILE CB . 50776 1 60 . 1 . 1 15 15 ILE N N 15 121.47 . . . . . . . . 15 ILE N . 50776 1 61 . 1 . 1 16 16 ILE H H 1 8.12 . . . . . . . . 16 ILE H . 50776 1 62 . 1 . 1 16 16 ILE C C 13 176.01 . . . . . . . . 16 ILE C . 50776 1 63 . 1 . 1 16 16 ILE CA C 13 61.03 . . . . . . . . 16 ILE CA . 50776 1 64 . 1 . 1 16 16 ILE CB C 13 38.5 . . . . . . . . 16 ILE CB . 50776 1 65 . 1 . 1 16 16 ILE N N 15 125.51 . . . . . . . . 16 ILE N . 50776 1 66 . 1 . 1 17 17 GLU H H 1 8.42 . . . . . . . . 17 GLU H . 50776 1 67 . 1 . 1 17 17 GLU C C 13 176.22 . . . . . . . . 17 GLU C . 50776 1 68 . 1 . 1 17 17 GLU CA C 13 56.52 . . . . . . . . 17 GLU CA . 50776 1 69 . 1 . 1 17 17 GLU CB C 13 30.63 . . . . . . . . 17 GLU CB . 50776 1 70 . 1 . 1 17 17 GLU N N 15 125.97 . . . . . . . . 17 GLU N . 50776 1 71 . 1 . 1 18 18 LYS H H 1 8.35 . . . . . . . . 18 LYS H . 50776 1 72 . 1 . 1 18 18 LYS C C 13 176.64 . . . . . . . . 18 LYS C . 50776 1 73 . 1 . 1 18 18 LYS CA C 13 56.29 . . . . . . . . 18 LYS CA . 50776 1 74 . 1 . 1 18 18 LYS CB C 13 33.11 . . . . . . . . 18 LYS CB . 50776 1 75 . 1 . 1 18 18 LYS N N 15 123.05 . . . . . . . . 18 LYS N . 50776 1 76 . 1 . 1 19 19 THR H H 1 8.15 . . . . . . . . 19 THR H . 50776 1 77 . 1 . 1 19 19 THR C C 13 174.47 . . . . . . . . 19 THR C . 50776 1 78 . 1 . 1 19 19 THR CA C 13 61.79 . . . . . . . . 19 THR CA . 50776 1 79 . 1 . 1 19 19 THR CB C 13 70.01 . . . . . . . . 19 THR CB . 50776 1 80 . 1 . 1 19 19 THR N N 15 115.67 . . . . . . . . 19 THR N . 50776 1 81 . 1 . 1 20 20 THR H H 1 8.2 . . . . . . . . 20 THR H . 50776 1 82 . 1 . 1 20 20 THR C C 13 172.79 . . . . . . . . 20 THR C . 50776 1 83 . 1 . 1 20 20 THR CA C 13 59.88 . . . . . . . . 20 THR CA . 50776 1 84 . 1 . 1 20 20 THR CB C 13 70.22 . . . . . . . . 20 THR CB . 50776 1 85 . 1 . 1 20 20 THR N N 15 119.04 . . . . . . . . 20 THR N . 50776 1 86 . 1 . 1 21 21 PRO C C 13 177.37 . . . . . . . . 21 PRO C . 50776 1 87 . 1 . 1 21 21 PRO CA C 13 63.27 . . . . . . . . 21 PRO CA . 50776 1 88 . 1 . 1 21 21 PRO CB C 13 32.09 . . . . . . . . 21 PRO CB . 50776 1 89 . 1 . 1 22 22 GLY H H 1 8.49 . . . . . . . . 22 GLY H . 50776 1 90 . 1 . 1 22 22 GLY C C 13 174.95 . . . . . . . . 22 GLY C . 50776 1 91 . 1 . 1 22 22 GLY CA C 13 45.27 . . . . . . . . 22 GLY CA . 50776 1 92 . 1 . 1 22 22 GLY N N 15 109.77 . . . . . . . . 22 GLY N . 50776 1 93 . 1 . 1 23 23 ARG C C 13 176.66 . . . . . . . . 23 ARG C . 50776 1 94 . 1 . 1 23 23 ARG CA C 13 56.17 . . . . . . . . 23 ARG CA . 50776 1 95 . 1 . 1 23 23 ARG CB C 13 30.63 . . . . . . . . 23 ARG CB . 50776 1 96 . 1 . 1 24 24 GLU H H 1 8.66 . . . . . . . . 24 GLU H . 50776 1 97 . 1 . 1 24 24 GLU C C 13 176.89 . . . . . . . . 24 GLU C . 50776 1 98 . 1 . 1 24 24 GLU CA C 13 57.67 . . . . . . . . 24 GLU CA . 50776 1 99 . 1 . 1 24 24 GLU CB C 13 29.84 . . . . . . . . 24 GLU CB . 50776 1 100 . 1 . 1 24 24 GLU N N 15 121.97 . . . . . . . . 24 GLU N . 50776 1 101 . 1 . 1 25 25 SER H H 1 8.33 . . . . . . . . 25 SER H . 50776 1 102 . 1 . 1 25 25 SER C C 13 174.89 . . . . . . . . 25 SER C . 50776 1 103 . 1 . 1 25 25 SER CA C 13 58.7 . . . . . . . . 25 SER CA . 50776 1 104 . 1 . 1 25 25 SER CB C 13 64 . . . . . . . . 25 SER CB . 50776 1 105 . 1 . 1 25 25 SER N N 15 116.19 . . . . . . . . 25 SER N . 50776 1 106 . 1 . 1 26 26 GLU H H 1 8.35 . . . . . . . . 26 GLU H . 50776 1 107 . 1 . 1 26 26 GLU C C 13 176.73 . . . . . . . . 26 GLU C . 50776 1 108 . 1 . 1 26 26 GLU CA C 13 57.38 . . . . . . . . 26 GLU CA . 50776 1 109 . 1 . 1 26 26 GLU CB C 13 29.89 . . . . . . . . 26 GLU CB . 50776 1 110 . 1 . 1 26 26 GLU N N 15 122.48 . . . . . . . . 26 GLU N . 50776 1 111 . 1 . 1 27 27 PHE H H 1 7.99 . . . . . . . . 27 PHE H . 50776 1 112 . 1 . 1 27 27 PHE C C 13 175.88 . . . . . . . . 27 PHE C . 50776 1 113 . 1 . 1 27 27 PHE CA C 13 58.55 . . . . . . . . 27 PHE CA . 50776 1 114 . 1 . 1 27 27 PHE CB C 13 39.47 . . . . . . . . 27 PHE CB . 50776 1 115 . 1 . 1 27 27 PHE N N 15 119.73 . . . . . . . . 27 PHE N . 50776 1 116 . 1 . 1 28 28 ASP H H 1 8.01 . . . . . . . . 28 ASP H . 50776 1 117 . 1 . 1 28 28 ASP C C 13 176.89 . . . . . . . . 28 ASP C . 50776 1 118 . 1 . 1 28 28 ASP CA C 13 54.64 . . . . . . . . 28 ASP CA . 50776 1 119 . 1 . 1 28 28 ASP CB C 13 41.2 . . . . . . . . 28 ASP CB . 50776 1 120 . 1 . 1 28 28 ASP N N 15 121.4 . . . . . . . . 28 ASP N . 50776 1 121 . 1 . 1 29 29 LEU H H 1 8.13 . . . . . . . . 29 LEU H . 50776 1 122 . 1 . 1 29 29 LEU C C 13 178.28 . . . . . . . . 29 LEU C . 50776 1 123 . 1 . 1 29 29 LEU CA C 13 56.35 . . . . . . . . 29 LEU CA . 50776 1 124 . 1 . 1 29 29 LEU CB C 13 41.76 . . . . . . . . 29 LEU CB . 50776 1 125 . 1 . 1 29 29 LEU N N 15 123.17 . . . . . . . . 29 LEU N . 50776 1 126 . 1 . 1 30 30 ARG H H 1 8.09 . . . . . . . . 30 ARG H . 50776 1 127 . 1 . 1 30 30 ARG C C 13 177.17 . . . . . . . . 30 ARG C . 50776 1 128 . 1 . 1 30 30 ARG CA C 13 57.32 . . . . . . . . 30 ARG CA . 50776 1 129 . 1 . 1 30 30 ARG CB C 13 30.28 . . . . . . . . 30 ARG CB . 50776 1 130 . 1 . 1 30 30 ARG N N 15 119.36 . . . . . . . . 30 ARG N . 50776 1 131 . 1 . 1 31 31 LYS H H 1 7.91 . . . . . . . . 31 LYS H . 50776 1 132 . 1 . 1 31 31 LYS C C 13 176.94 . . . . . . . . 31 LYS C . 50776 1 133 . 1 . 1 31 31 LYS CA C 13 56.79 . . . . . . . . 31 LYS CA . 50776 1 134 . 1 . 1 31 31 LYS CB C 13 32.75 . . . . . . . . 31 LYS CB . 50776 1 135 . 1 . 1 31 31 LYS N N 15 120.13 . . . . . . . . 31 LYS N . 50776 1 136 . 1 . 1 32 32 SER H H 1 8.02 . . . . . . . . 32 SER H . 50776 1 137 . 1 . 1 32 32 SER C C 13 174.56 . . . . . . . . 32 SER C . 50776 1 138 . 1 . 1 32 32 SER CA C 13 58.61 . . . . . . . . 32 SER CA . 50776 1 139 . 1 . 1 32 32 SER CB C 13 63.92 . . . . . . . . 32 SER CB . 50776 1 140 . 1 . 1 32 32 SER N N 15 115.78 . . . . . . . . 32 SER N . 50776 1 141 . 1 . 1 33 33 LYS C C 13 176.38 . . . . . . . . 33 LYS C . 50776 1 142 . 1 . 1 33 33 LYS CA C 13 56.43 . . . . . . . . 33 LYS CA . 50776 1 143 . 1 . 1 33 33 LYS CB C 13 32.93 . . . . . . . . 33 LYS CB . 50776 1 144 . 1 . 1 34 34 LYS H H 1 8.18 . . . . . . . . 34 LYS H . 50776 1 145 . 1 . 1 34 34 LYS C C 13 176.33 . . . . . . . . 34 LYS C . 50776 1 146 . 1 . 1 34 34 LYS CA C 13 56.19 . . . . . . . . 34 LYS CA . 50776 1 147 . 1 . 1 34 34 LYS CB C 13 33.04 . . . . . . . . 34 LYS CB . 50776 1 148 . 1 . 1 34 34 LYS N N 15 122.44 . . . . . . . . 34 LYS N . 50776 1 149 . 1 . 1 35 35 ILE H H 1 8.07 . . . . . . . . 35 ILE H . 50776 1 150 . 1 . 1 35 35 ILE C C 13 175.55 . . . . . . . . 35 ILE C . 50776 1 151 . 1 . 1 35 35 ILE CA C 13 60.76 . . . . . . . . 35 ILE CA . 50776 1 152 . 1 . 1 35 35 ILE CB C 13 38.94 . . . . . . . . 35 ILE CB . 50776 1 153 . 1 . 1 35 35 ILE N N 15 122.46 . . . . . . . . 35 ILE N . 50776 1 154 . 1 . 1 36 36 ALA H H 1 8.35 . . . . . . . . 36 ALA H . 50776 1 155 . 1 . 1 36 36 ALA C C 13 174.61 . . . . . . . . 36 ALA C . 50776 1 156 . 1 . 1 36 36 ALA CA C 13 50.13 . . . . . . . . 36 ALA CA . 50776 1 157 . 1 . 1 36 36 ALA CB C 13 18.85 . . . . . . . . 36 ALA CB . 50776 1 158 . 1 . 1 36 36 ALA N N 15 129.89 . . . . . . . . 36 ALA N . 50776 1 159 . 1 . 1 38 38 PRO C C 13 175.76 . . . . . . . . 38 PRO C . 50776 1 160 . 1 . 1 38 38 PRO CA C 13 62.77 . . . . . . . . 38 PRO CA . 50776 1 161 . 1 . 1 38 38 PRO CB C 13 32.19 . . . . . . . . 38 PRO CB . 50776 1 162 . 1 . 1 39 39 TYR H H 1 9.47 . . . . . . . . 39 TYR H . 50776 1 163 . 1 . 1 39 39 TYR C C 13 173.87 . . . . . . . . 39 TYR C . 50776 1 164 . 1 . 1 39 39 TYR CA C 13 57.29 . . . . . . . . 39 TYR CA . 50776 1 165 . 1 . 1 39 39 TYR CB C 13 38.4 . . . . . . . . 39 TYR CB . 50776 1 166 . 1 . 1 39 39 TYR N N 15 122.52 . . . . . . . . 39 TYR N . 50776 1 167 . 1 . 1 40 40 ARG H H 1 9.37 . . . . . . . . 40 ARG H . 50776 1 168 . 1 . 1 40 40 ARG C C 13 175.67 . . . . . . . . 40 ARG C . 50776 1 169 . 1 . 1 40 40 ARG CA C 13 54.19 . . . . . . . . 40 ARG CA . 50776 1 170 . 1 . 1 40 40 ARG CB C 13 33.08 . . . . . . . . 40 ARG CB . 50776 1 171 . 1 . 1 40 40 ARG N N 15 116.27 . . . . . . . . 40 ARG N . 50776 1 172 . 1 . 1 41 41 VAL H H 1 8.43 . . . . . . . . 41 VAL H . 50776 1 173 . 1 . 1 41 41 VAL C C 13 174.4 . . . . . . . . 41 VAL C . 50776 1 174 . 1 . 1 41 41 VAL CA C 13 61.79 . . . . . . . . 41 VAL CA . 50776 1 175 . 1 . 1 41 41 VAL CB C 13 32.75 . . . . . . . . 41 VAL CB . 50776 1 176 . 1 . 1 41 41 VAL N N 15 121.47 . . . . . . . . 41 VAL N . 50776 1 177 . 1 . 1 42 42 ILE H H 1 9.39 . . . . . . . . 42 ILE H . 50776 1 178 . 1 . 1 42 42 ILE C C 13 175.71 . . . . . . . . 42 ILE C . 50776 1 179 . 1 . 1 42 42 ILE CA C 13 58.55 . . . . . . . . 42 ILE CA . 50776 1 180 . 1 . 1 42 42 ILE CB C 13 38.85 . . . . . . . . 42 ILE CB . 50776 1 181 . 1 . 1 42 42 ILE N N 15 129.13 . . . . . . . . 42 ILE N . 50776 1 182 . 1 . 1 43 43 LEU H H 1 9.07 . . . . . . . . 43 LEU H . 50776 1 183 . 1 . 1 43 43 LEU C C 13 180.12 . . . . . . . . 43 LEU C . 50776 1 184 . 1 . 1 43 43 LEU CA C 13 58.84 . . . . . . . . 43 LEU CA . 50776 1 185 . 1 . 1 43 43 LEU CB C 13 45.45 . . . . . . . . 43 LEU CB . 50776 1 186 . 1 . 1 43 43 LEU N N 15 129.4 . . . . . . . . 43 LEU N . 50776 1 187 . 1 . 1 45 45 ASN C C 13 175.3 . . . . . . . . 45 ASN C . 50776 1 188 . 1 . 1 45 45 ASN CA C 13 52.81 . . . . . . . . 45 ASN CA . 50776 1 189 . 1 . 1 45 45 ASN CB C 13 38.94 . . . . . . . . 45 ASN CB . 50776 1 190 . 1 . 1 46 46 ASP H H 1 9.06 . . . . . . . . 46 ASP H . 50776 1 191 . 1 . 1 46 46 ASP C C 13 175.97 . . . . . . . . 46 ASP C . 50776 1 192 . 1 . 1 46 46 ASP CA C 13 57.94 . . . . . . . . 46 ASP CA . 50776 1 193 . 1 . 1 46 46 ASP CB C 13 41.32 . . . . . . . . 46 ASP CB . 50776 1 194 . 1 . 1 46 46 ASP N N 15 118.52 . . . . . . . . 46 ASP N . 50776 1 195 . 1 . 1 47 47 ASN H H 1 9.48 . . . . . . . . 47 ASN H . 50776 1 196 . 1 . 1 47 47 ASN C C 13 176.54 . . . . . . . . 47 ASN C . 50776 1 197 . 1 . 1 47 47 ASN CA C 13 54.19 . . . . . . . . 47 ASN CA . 50776 1 198 . 1 . 1 47 47 ASN CB C 13 39.53 . . . . . . . . 47 ASN CB . 50776 1 199 . 1 . 1 47 47 ASN N N 15 123.23 . . . . . . . . 47 ASN N . 50776 1 200 . 1 . 1 48 48 PHE H H 1 8.85 . . . . . . . . 48 PHE H . 50776 1 201 . 1 . 1 48 48 PHE C C 13 178.32 . . . . . . . . 48 PHE C . 50776 1 202 . 1 . 1 48 48 PHE CA C 13 55.99 . . . . . . . . 48 PHE CA . 50776 1 203 . 1 . 1 48 48 PHE CB C 13 39.66 . . . . . . . . 48 PHE CB . 50776 1 204 . 1 . 1 48 48 PHE N N 15 122.55 . . . . . . . . 48 PHE N . 50776 1 205 . 1 . 1 49 49 ASN H H 1 8.91 . . . . . . . . 49 ASN H . 50776 1 206 . 1 . 1 49 49 ASN C C 13 178.18 . . . . . . . . 49 ASN C . 50776 1 207 . 1 . 1 49 49 ASN N N 15 124.81 . . . . . . . . 49 ASN N . 50776 1 208 . 1 . 1 51 51 ARG C C 13 178.11 . . . . . . . . 51 ARG C . 50776 1 209 . 1 . 1 51 51 ARG CA C 13 60.17 . . . . . . . . 51 ARG CA . 50776 1 210 . 1 . 1 51 51 ARG CB C 13 30.18 . . . . . . . . 51 ARG CB . 50776 1 211 . 1 . 1 52 52 GLU H H 1 9.25 . . . . . . . . 52 GLU H . 50776 1 212 . 1 . 1 52 52 GLU C C 13 178.64 . . . . . . . . 52 GLU C . 50776 1 213 . 1 . 1 52 52 GLU CA C 13 59.79 . . . . . . . . 52 GLU CA . 50776 1 214 . 1 . 1 52 52 GLU CB C 13 28.6 . . . . . . . . 52 GLU CB . 50776 1 215 . 1 . 1 52 52 GLU N N 15 115.5 . . . . . . . . 52 GLU N . 50776 1 216 . 1 . 1 53 53 TYR H H 1 7.06 . . . . . . . . 53 TYR H . 50776 1 217 . 1 . 1 53 53 TYR C C 13 176.22 . . . . . . . . 53 TYR C . 50776 1 218 . 1 . 1 53 53 TYR CA C 13 60.94 . . . . . . . . 53 TYR CA . 50776 1 219 . 1 . 1 53 53 TYR CB C 13 38.94 . . . . . . . . 53 TYR CB . 50776 1 220 . 1 . 1 53 53 TYR N N 15 120.53 . . . . . . . . 53 TYR N . 50776 1 221 . 1 . 1 54 54 VAL H H 1 7.58 . . . . . . . . 54 VAL H . 50776 1 222 . 1 . 1 54 54 VAL C C 13 177.81 . . . . . . . . 54 VAL C . 50776 1 223 . 1 . 1 54 54 VAL CA C 13 67.3 . . . . . . . . 54 VAL CA . 50776 1 224 . 1 . 1 54 54 VAL CB C 13 31.57 . . . . . . . . 54 VAL CB . 50776 1 225 . 1 . 1 54 54 VAL N N 15 119.04 . . . . . . . . 54 VAL N . 50776 1 226 . 1 . 1 55 55 VAL H H 1 7.45 . . . . . . . . 55 VAL H . 50776 1 227 . 1 . 1 55 55 VAL C C 13 176.87 . . . . . . . . 55 VAL C . 50776 1 228 . 1 . 1 55 55 VAL CA C 13 67.48 . . . . . . . . 55 VAL CA . 50776 1 229 . 1 . 1 55 55 VAL CB C 13 31.97 . . . . . . . . 55 VAL CB . 50776 1 230 . 1 . 1 55 55 VAL N N 15 116.47 . . . . . . . . 55 VAL N . 50776 1 231 . 1 . 1 56 56 GLN H H 1 7.4 . . . . . . . . 56 GLN H . 50776 1 232 . 1 . 1 56 56 GLN C C 13 179.27 . . . . . . . . 56 GLN C . 50776 1 233 . 1 . 1 56 56 GLN CA C 13 59.17 . . . . . . . . 56 GLN CA . 50776 1 234 . 1 . 1 56 56 GLN CB C 13 28.24 . . . . . . . . 56 GLN CB . 50776 1 235 . 1 . 1 56 56 GLN N N 15 117.21 . . . . . . . . 56 GLN N . 50776 1 236 . 1 . 1 57 57 VAL H H 1 8.2 . . . . . . . . 57 VAL H . 50776 1 237 . 1 . 1 57 57 VAL C C 13 178 . . . . . . . . 57 VAL C . 50776 1 238 . 1 . 1 57 57 VAL CA C 13 67.21 . . . . . . . . 57 VAL CA . 50776 1 239 . 1 . 1 57 57 VAL CB C 13 31.25 . . . . . . . . 57 VAL CB . 50776 1 240 . 1 . 1 57 57 VAL N N 15 120.29 . . . . . . . . 57 VAL N . 50776 1 241 . 1 . 1 58 58 LEU H H 1 8.15 . . . . . . . . 58 LEU H . 50776 1 242 . 1 . 1 58 58 LEU C C 13 178.74 . . . . . . . . 58 LEU C . 50776 1 243 . 1 . 1 58 58 LEU CA C 13 59.43 . . . . . . . . 58 LEU CA . 50776 1 244 . 1 . 1 58 58 LEU CB C 13 42.12 . . . . . . . . 58 LEU CB . 50776 1 245 . 1 . 1 58 58 LEU N N 15 119.14 . . . . . . . . 58 LEU N . 50776 1 246 . 1 . 1 59 59 MET H H 1 7.78 . . . . . . . . 59 MET H . 50776 1 247 . 1 . 1 59 59 MET C C 13 178.25 . . . . . . . . 59 MET C . 50776 1 248 . 1 . 1 59 59 MET CA C 13 56.62 . . . . . . . . 59 MET CA . 50776 1 249 . 1 . 1 59 59 MET CB C 13 31.43 . . . . . . . . 59 MET CB . 50776 1 250 . 1 . 1 59 59 MET N N 15 112.99 . . . . . . . . 59 MET N . 50776 1 251 . 1 . 1 60 60 LYS H H 1 7.68 . . . . . . . . 60 LYS H . 50776 1 252 . 1 . 1 60 60 LYS C C 13 178.33 . . . . . . . . 60 LYS C . 50776 1 253 . 1 . 1 60 60 LYS CA C 13 58.2 . . . . . . . . 60 LYS CA . 50776 1 254 . 1 . 1 60 60 LYS CB C 13 33.28 . . . . . . . . 60 LYS CB . 50776 1 255 . 1 . 1 60 60 LYS N N 15 119.48 . . . . . . . . 60 LYS N . 50776 1 256 . 1 . 1 61 61 VAL H H 1 7.92 . . . . . . . . 61 VAL H . 50776 1 257 . 1 . 1 61 61 VAL C C 13 175.78 . . . . . . . . 61 VAL C . 50776 1 258 . 1 . 1 61 61 VAL CA C 13 64 . . . . . . . . 61 VAL CA . 50776 1 259 . 1 . 1 61 61 VAL CB C 13 33.7 . . . . . . . . 61 VAL CB . 50776 1 260 . 1 . 1 61 61 VAL N N 15 113.66 . . . . . . . . 61 VAL N . 50776 1 261 . 1 . 1 62 62 ILE H H 1 7.54 . . . . . . . . 62 ILE H . 50776 1 262 . 1 . 1 62 62 ILE C C 13 174.01 . . . . . . . . 62 ILE C . 50776 1 263 . 1 . 1 62 62 ILE CB C 13 37.78 . . . . . . . . 62 ILE CB . 50776 1 264 . 1 . 1 62 62 ILE N N 15 119.25 . . . . . . . . 62 ILE N . 50776 1 265 . 1 . 1 63 63 PRO C C 13 178 . . . . . . . . 63 PRO C . 50776 1 266 . 1 . 1 63 63 PRO CA C 13 63.74 . . . . . . . . 63 PRO CA . 50776 1 267 . 1 . 1 63 63 PRO CB C 13 31.57 . . . . . . . . 63 PRO CB . 50776 1 268 . 1 . 1 64 64 GLY H H 1 8.86 . . . . . . . . 64 GLY H . 50776 1 269 . 1 . 1 64 64 GLY C C 13 174.61 . . . . . . . . 64 GLY C . 50776 1 270 . 1 . 1 64 64 GLY CA C 13 45.3 . . . . . . . . 64 GLY CA . 50776 1 271 . 1 . 1 64 64 GLY N N 15 111.75 . . . . . . . . 64 GLY N . 50776 1 272 . 1 . 1 65 65 MET H H 1 7.41 . . . . . . . . 65 MET H . 50776 1 273 . 1 . 1 65 65 MET C C 13 175.32 . . . . . . . . 65 MET C . 50776 1 274 . 1 . 1 65 65 MET CA C 13 54.49 . . . . . . . . 65 MET CA . 50776 1 275 . 1 . 1 65 65 MET CB C 13 30.37 . . . . . . . . 65 MET CB . 50776 1 276 . 1 . 1 65 65 MET N N 15 120.83 . . . . . . . . 65 MET N . 50776 1 277 . 1 . 1 66 66 THR H H 1 7.34 . . . . . . . . 66 THR H . 50776 1 278 . 1 . 1 66 66 THR C C 13 175.32 . . . . . . . . 66 THR C . 50776 1 279 . 1 . 1 66 66 THR CA C 13 59.32 . . . . . . . . 66 THR CA . 50776 1 280 . 1 . 1 66 66 THR CB C 13 71.96 . . . . . . . . 66 THR CB . 50776 1 281 . 1 . 1 66 66 THR N N 15 115.76 . . . . . . . . 66 THR N . 50776 1 282 . 1 . 1 67 67 VAL H H 1 8.85 . . . . . . . . 67 VAL H . 50776 1 283 . 1 . 1 67 67 VAL C C 13 176.84 . . . . . . . . 67 VAL C . 50776 1 284 . 1 . 1 67 67 VAL CA C 13 66.68 . . . . . . . . 67 VAL CA . 50776 1 285 . 1 . 1 67 67 VAL CB C 13 31.6 . . . . . . . . 67 VAL CB . 50776 1 286 . 1 . 1 67 67 VAL N N 15 123.33 . . . . . . . . 67 VAL N . 50776 1 287 . 1 . 1 68 68 ASP H H 1 8.04 . . . . . . . . 68 ASP H . 50776 1 288 . 1 . 1 68 68 ASP C C 13 178.74 . . . . . . . . 68 ASP C . 50776 1 289 . 1 . 1 68 68 ASP CA C 13 57.11 . . . . . . . . 68 ASP CA . 50776 1 290 . 1 . 1 68 68 ASP CB C 13 40.59 . . . . . . . . 68 ASP CB . 50776 1 291 . 1 . 1 68 68 ASP N N 15 116.83 . . . . . . . . 68 ASP N . 50776 1 292 . 1 . 1 69 69 ASN H H 1 7.43 . . . . . . . . 69 ASN H . 50776 1 293 . 1 . 1 69 69 ASN C C 13 176.59 . . . . . . . . 69 ASN C . 50776 1 294 . 1 . 1 69 69 ASN CA C 13 55.55 . . . . . . . . 69 ASN CA . 50776 1 295 . 1 . 1 69 69 ASN CB C 13 38.76 . . . . . . . . 69 ASN CB . 50776 1 296 . 1 . 1 69 69 ASN N N 15 117.45 . . . . . . . . 69 ASN N . 50776 1 297 . 1 . 1 70 70 ALA H H 1 8.57 . . . . . . . . 70 ALA H . 50776 1 298 . 1 . 1 70 70 ALA C C 13 179.29 . . . . . . . . 70 ALA C . 50776 1 299 . 1 . 1 70 70 ALA CA C 13 56.08 . . . . . . . . 70 ALA CA . 50776 1 300 . 1 . 1 70 70 ALA CB C 13 19.67 . . . . . . . . 70 ALA CB . 50776 1 301 . 1 . 1 70 70 ALA N N 15 124.11 . . . . . . . . 70 ALA N . 50776 1 302 . 1 . 1 71 71 VAL H H 1 8.51 . . . . . . . . 71 VAL H . 50776 1 303 . 1 . 1 71 71 VAL C C 13 178.12 . . . . . . . . 71 VAL C . 50776 1 304 . 1 . 1 71 71 VAL CA C 13 67.04 . . . . . . . . 71 VAL CA . 50776 1 305 . 1 . 1 71 71 VAL CB C 13 31.69 . . . . . . . . 71 VAL CB . 50776 1 306 . 1 . 1 71 71 VAL N N 15 117.45 . . . . . . . . 71 VAL N . 50776 1 307 . 1 . 1 72 72 ASN H H 1 7.56 . . . . . . . . 72 ASN H . 50776 1 308 . 1 . 1 72 72 ASN C C 13 178.28 . . . . . . . . 72 ASN C . 50776 1 309 . 1 . 1 72 72 ASN CA C 13 56.79 . . . . . . . . 72 ASN CA . 50776 1 310 . 1 . 1 72 72 ASN CB C 13 38.14 . . . . . . . . 72 ASN CB . 50776 1 311 . 1 . 1 72 72 ASN N N 15 118.98 . . . . . . . . 72 ASN N . 50776 1 312 . 1 . 1 73 73 ILE H H 1 8.45 . . . . . . . . 73 ILE H . 50776 1 313 . 1 . 1 73 73 ILE C C 13 177.1 . . . . . . . . 73 ILE C . 50776 1 314 . 1 . 1 73 73 ILE CA C 13 65.45 . . . . . . . . 73 ILE CA . 50776 1 315 . 1 . 1 73 73 ILE CB C 13 38.47 . . . . . . . . 73 ILE CB . 50776 1 316 . 1 . 1 73 73 ILE N N 15 123.18 . . . . . . . . 73 ILE N . 50776 1 317 . 1 . 1 74 74 MET H H 1 8.05 . . . . . . . . 74 MET H . 50776 1 318 . 1 . 1 74 74 MET C C 13 178.94 . . . . . . . . 74 MET C . 50776 1 319 . 1 . 1 74 74 MET CA C 13 59.17 . . . . . . . . 74 MET CA . 50776 1 320 . 1 . 1 74 74 MET CB C 13 30.37 . . . . . . . . 74 MET CB . 50776 1 321 . 1 . 1 74 74 MET N N 15 119.06 . . . . . . . . 74 MET N . 50776 1 322 . 1 . 1 75 75 GLN H H 1 8.66 . . . . . . . . 75 GLN H . 50776 1 323 . 1 . 1 75 75 GLN C C 13 178.34 . . . . . . . . 75 GLN C . 50776 1 324 . 1 . 1 75 75 GLN CA C 13 59.26 . . . . . . . . 75 GLN CA . 50776 1 325 . 1 . 1 75 75 GLN CB C 13 28.24 . . . . . . . . 75 GLN CB . 50776 1 326 . 1 . 1 75 75 GLN N N 15 120.25 . . . . . . . . 75 GLN N . 50776 1 327 . 1 . 1 76 76 GLU H H 1 8.25 . . . . . . . . 76 GLU H . 50776 1 328 . 1 . 1 76 76 GLU C C 13 178.85 . . . . . . . . 76 GLU C . 50776 1 329 . 1 . 1 76 76 GLU CA C 13 59.58 . . . . . . . . 76 GLU CA . 50776 1 330 . 1 . 1 76 76 GLU CB C 13 28.95 . . . . . . . . 76 GLU CB . 50776 1 331 . 1 . 1 76 76 GLU N N 15 121.47 . . . . . . . . 76 GLU N . 50776 1 332 . 1 . 1 77 77 ALA H H 1 8.28 . . . . . . . . 77 ALA H . 50776 1 333 . 1 . 1 77 77 ALA C C 13 179.36 . . . . . . . . 77 ALA C . 50776 1 334 . 1 . 1 77 77 ALA CA C 13 54.58 . . . . . . . . 77 ALA CA . 50776 1 335 . 1 . 1 77 77 ALA CB C 13 16.76 . . . . . . . . 77 ALA CB . 50776 1 336 . 1 . 1 77 77 ALA N N 15 120.98 . . . . . . . . 77 ALA N . 50776 1 337 . 1 . 1 78 78 HIS H H 1 7.97 . . . . . . . . 78 HIS H . 50776 1 338 . 1 . 1 78 78 HIS C C 13 177.24 . . . . . . . . 78 HIS C . 50776 1 339 . 1 . 1 78 78 HIS CA C 13 59.06 . . . . . . . . 78 HIS CA . 50776 1 340 . 1 . 1 78 78 HIS CB C 13 29.89 . . . . . . . . 78 HIS CB . 50776 1 341 . 1 . 1 78 78 HIS N N 15 116.89 . . . . . . . . 78 HIS N . 50776 1 342 . 1 . 1 79 79 ILE H H 1 8.05 . . . . . . . . 79 ILE H . 50776 1 343 . 1 . 1 79 79 ILE C C 13 177.67 . . . . . . . . 79 ILE C . 50776 1 344 . 1 . 1 79 79 ILE CA C 13 63.39 . . . . . . . . 79 ILE CA . 50776 1 345 . 1 . 1 79 79 ILE CB C 13 38.82 . . . . . . . . 79 ILE CB . 50776 1 346 . 1 . 1 79 79 ILE N N 15 117.54 . . . . . . . . 79 ILE N . 50776 1 347 . 1 . 1 80 80 ASN H H 1 8.55 . . . . . . . . 80 ASN H . 50776 1 348 . 1 . 1 80 80 ASN C C 13 176.18 . . . . . . . . 80 ASN C . 50776 1 349 . 1 . 1 80 80 ASN CA C 13 53.58 . . . . . . . . 80 ASN CA . 50776 1 350 . 1 . 1 80 80 ASN CB C 13 40.14 . . . . . . . . 80 ASN CB . 50776 1 351 . 1 . 1 80 80 ASN N N 15 115.51 . . . . . . . . 80 ASN N . 50776 1 352 . 1 . 1 81 81 GLY H H 1 7.7 . . . . . . . . 81 GLY H . 50776 1 353 . 1 . 1 81 81 GLY C C 13 173.48 . . . . . . . . 81 GLY C . 50776 1 354 . 1 . 1 81 81 GLY CA C 13 46.6 . . . . . . . . 81 GLY CA . 50776 1 355 . 1 . 1 81 81 GLY N N 15 111.67 . . . . . . . . 81 GLY N . 50776 1 356 . 1 . 1 82 82 LEU H H 1 7.19 . . . . . . . . 82 LEU H . 50776 1 357 . 1 . 1 82 82 LEU C C 13 174.61 . . . . . . . . 82 LEU C . 50776 1 358 . 1 . 1 82 82 LEU CA C 13 54.14 . . . . . . . . 82 LEU CA . 50776 1 359 . 1 . 1 82 82 LEU CB C 13 42.91 . . . . . . . . 82 LEU CB . 50776 1 360 . 1 . 1 82 82 LEU N N 15 117.49 . . . . . . . . 82 LEU N . 50776 1 361 . 1 . 1 83 83 ALA H H 1 8.65 . . . . . . . . 83 ALA H . 50776 1 362 . 1 . 1 83 83 ALA C C 13 175.23 . . . . . . . . 83 ALA C . 50776 1 363 . 1 . 1 83 83 ALA CA C 13 51.54 . . . . . . . . 83 ALA CA . 50776 1 364 . 1 . 1 83 83 ALA CB C 13 20.21 . . . . . . . . 83 ALA CB . 50776 1 365 . 1 . 1 83 83 ALA N N 15 120.93 . . . . . . . . 83 ALA N . 50776 1 366 . 1 . 1 84 84 VAL H H 1 8.66 . . . . . . . . 84 VAL H . 50776 1 367 . 1 . 1 84 84 VAL C C 13 175.65 . . . . . . . . 84 VAL C . 50776 1 368 . 1 . 1 84 84 VAL CA C 13 63.68 . . . . . . . . 84 VAL CA . 50776 1 369 . 1 . 1 84 84 VAL CB C 13 31.78 . . . . . . . . 84 VAL CB . 50776 1 370 . 1 . 1 84 84 VAL N N 15 121.85 . . . . . . . . 84 VAL N . 50776 1 371 . 1 . 1 85 85 VAL H H 1 9.35 . . . . . . . . 85 VAL H . 50776 1 372 . 1 . 1 85 85 VAL C C 13 174.2 . . . . . . . . 85 VAL C . 50776 1 373 . 1 . 1 85 85 VAL CA C 13 64.09 . . . . . . . . 85 VAL CA . 50776 1 374 . 1 . 1 85 85 VAL CB C 13 33.47 . . . . . . . . 85 VAL CB . 50776 1 375 . 1 . 1 85 85 VAL N N 15 127.62 . . . . . . . . 85 VAL N . 50776 1 376 . 1 . 1 86 86 ILE H H 1 7.02 . . . . . . . . 86 ILE H . 50776 1 377 . 1 . 1 86 86 ILE C C 13 170.85 . . . . . . . . 86 ILE C . 50776 1 378 . 1 . 1 86 86 ILE CA C 13 60.12 . . . . . . . . 86 ILE CA . 50776 1 379 . 1 . 1 86 86 ILE CB C 13 39.88 . . . . . . . . 86 ILE CB . 50776 1 380 . 1 . 1 86 86 ILE N N 15 112.97 . . . . . . . . 86 ILE N . 50776 1 381 . 1 . 1 87 87 VAL H H 1 7.88 . . . . . . . . 87 VAL H . 50776 1 382 . 1 . 1 87 87 VAL C C 13 175.81 . . . . . . . . 87 VAL C . 50776 1 383 . 1 . 1 87 87 VAL CA C 13 61.18 . . . . . . . . 87 VAL CA . 50776 1 384 . 1 . 1 87 87 VAL CB C 13 32.9 . . . . . . . . 87 VAL CB . 50776 1 385 . 1 . 1 87 87 VAL N N 15 126.69 . . . . . . . . 87 VAL N . 50776 1 386 . 1 . 1 88 88 CYS H H 1 9.43 . . . . . . . . 88 CYS H . 50776 1 387 . 1 . 1 88 88 CYS C C 13 171.84 . . . . . . . . 88 CYS C . 50776 1 388 . 1 . 1 88 88 CYS CA C 13 56.14 . . . . . . . . 88 CYS CA . 50776 1 389 . 1 . 1 88 88 CYS CB C 13 29.63 . . . . . . . . 88 CYS CB . 50776 1 390 . 1 . 1 88 88 CYS N N 15 123.11 . . . . . . . . 88 CYS N . 50776 1 391 . 1 . 1 89 89 ALA H H 1 8.56 . . . . . . . . 89 ALA H . 50776 1 392 . 1 . 1 89 89 ALA C C 13 178.51 . . . . . . . . 89 ALA C . 50776 1 393 . 1 . 1 89 89 ALA CA C 13 52.87 . . . . . . . . 89 ALA CA . 50776 1 394 . 1 . 1 89 89 ALA CB C 13 19.11 . . . . . . . . 89 ALA CB . 50776 1 395 . 1 . 1 89 89 ALA N N 15 121.38 . . . . . . . . 89 ALA N . 50776 1 396 . 1 . 1 90 90 GLN H H 1 8.91 . . . . . . . . 90 GLN H . 50776 1 397 . 1 . 1 90 90 GLN C C 13 176.66 . . . . . . . . 90 GLN C . 50776 1 398 . 1 . 1 90 90 GLN CA C 13 60.82 . . . . . . . . 90 GLN CA . 50776 1 399 . 1 . 1 90 90 GLN CB C 13 28.66 . . . . . . . . 90 GLN CB . 50776 1 400 . 1 . 1 90 90 GLN N N 15 121.51 . . . . . . . . 90 GLN N . 50776 1 401 . 1 . 1 91 91 ALA H H 1 8.72 . . . . . . . . 91 ALA H . 50776 1 402 . 1 . 1 91 91 ALA C C 13 180.83 . . . . . . . . 91 ALA C . 50776 1 403 . 1 . 1 91 91 ALA CA C 13 55.37 . . . . . . . . 91 ALA CA . 50776 1 404 . 1 . 1 91 91 ALA CB C 13 17.91 . . . . . . . . 91 ALA CB . 50776 1 405 . 1 . 1 91 91 ALA N N 15 117.96 . . . . . . . . 91 ALA N . 50776 1 406 . 1 . 1 92 92 ASP H H 1 6.81 . . . . . . . . 92 ASP H . 50776 1 407 . 1 . 1 92 92 ASP C C 13 175.97 . . . . . . . . 92 ASP C . 50776 1 408 . 1 . 1 92 92 ASP CA C 13 56.58 . . . . . . . . 92 ASP CA . 50776 1 409 . 1 . 1 92 92 ASP CB C 13 40.67 . . . . . . . . 92 ASP CB . 50776 1 410 . 1 . 1 92 92 ASP N N 15 116.88 . . . . . . . . 92 ASP N . 50776 1 411 . 1 . 1 93 93 ALA H H 1 8.52 . . . . . . . . 93 ALA H . 50776 1 412 . 1 . 1 93 93 ALA C C 13 179.36 . . . . . . . . 93 ALA C . 50776 1 413 . 1 . 1 93 93 ALA CA C 13 54.84 . . . . . . . . 93 ALA CA . 50776 1 414 . 1 . 1 93 93 ALA CB C 13 18.44 . . . . . . . . 93 ALA CB . 50776 1 415 . 1 . 1 93 93 ALA N N 15 123.01 . . . . . . . . 93 ALA N . 50776 1 416 . 1 . 1 94 94 GLU H H 1 8.24 . . . . . . . . 94 GLU H . 50776 1 417 . 1 . 1 94 94 GLU C C 13 179.32 . . . . . . . . 94 GLU C . 50776 1 418 . 1 . 1 94 94 GLU CA C 13 59.67 . . . . . . . . 94 GLU CA . 50776 1 419 . 1 . 1 94 94 GLU CB C 13 29.28 . . . . . . . . 94 GLU CB . 50776 1 420 . 1 . 1 94 94 GLU N N 15 115.92 . . . . . . . . 94 GLU N . 50776 1 421 . 1 . 1 95 95 GLN H H 1 7.21 . . . . . . . . 95 GLN H . 50776 1 422 . 1 . 1 95 95 GLN C C 13 178.62 . . . . . . . . 95 GLN C . 50776 1 423 . 1 . 1 95 95 GLN CA C 13 59.26 . . . . . . . . 95 GLN CA . 50776 1 424 . 1 . 1 95 95 GLN CB C 13 28.07 . . . . . . . . 95 GLN CB . 50776 1 425 . 1 . 1 95 95 GLN N N 15 119.85 . . . . . . . . 95 GLN N . 50776 1 426 . 1 . 1 96 96 HIS H H 1 8.58 . . . . . . . . 96 HIS H . 50776 1 427 . 1 . 1 96 96 HIS C C 13 178.27 . . . . . . . . 96 HIS C . 50776 1 428 . 1 . 1 96 96 HIS CA C 13 58.11 . . . . . . . . 96 HIS CA . 50776 1 429 . 1 . 1 96 96 HIS CB C 13 30.37 . . . . . . . . 96 HIS CB . 50776 1 430 . 1 . 1 96 96 HIS N N 15 119.34 . . . . . . . . 96 HIS N . 50776 1 431 . 1 . 1 97 97 CYS H H 1 8.55 . . . . . . . . 97 CYS H . 50776 1 432 . 1 . 1 97 97 CYS C C 13 176.5 . . . . . . . . 97 CYS C . 50776 1 433 . 1 . 1 97 97 CYS CA C 13 62.41 . . . . . . . . 97 CYS CA . 50776 1 434 . 1 . 1 97 97 CYS CB C 13 27.24 . . . . . . . . 97 CYS CB . 50776 1 435 . 1 . 1 97 97 CYS N N 15 118.43 . . . . . . . . 97 CYS N . 50776 1 436 . 1 . 1 98 98 MET H H 1 8 . . . . . . . . 98 MET H . 50776 1 437 . 1 . 1 98 98 MET C C 13 180.17 . . . . . . . . 98 MET C . 50776 1 438 . 1 . 1 98 98 MET CA C 13 58.97 . . . . . . . . 98 MET CA . 50776 1 439 . 1 . 1 98 98 MET CB C 13 31.57 . . . . . . . . 98 MET CB . 50776 1 440 . 1 . 1 98 98 MET N N 15 117.49 . . . . . . . . 98 MET N . 50776 1 441 . 1 . 1 99 99 GLN H H 1 8.27 . . . . . . . . 99 GLN H . 50776 1 442 . 1 . 1 99 99 GLN C C 13 179.96 . . . . . . . . 99 GLN C . 50776 1 443 . 1 . 1 99 99 GLN CA C 13 59.06 . . . . . . . . 99 GLN CA . 50776 1 444 . 1 . 1 99 99 GLN CB C 13 28.92 . . . . . . . . 99 GLN CB . 50776 1 445 . 1 . 1 99 99 GLN N N 15 120.29 . . . . . . . . 99 GLN N . 50776 1 446 . 1 . 1 101 101 ARG C C 13 182.26 . . . . . . . . 101 ARG C . 50776 1 447 . 1 . 1 101 101 ARG CA C 13 58.97 . . . . . . . . 101 ARG CA . 50776 1 448 . 1 . 1 101 101 ARG CB C 13 30.51 . . . . . . . . 101 ARG CB . 50776 1 449 . 1 . 1 102 102 GLY H H 1 8.65 . . . . . . . . 102 GLY H . 50776 1 450 . 1 . 1 102 102 GLY C C 13 174.7 . . . . . . . . 102 GLY C . 50776 1 451 . 1 . 1 102 102 GLY CA C 13 46.42 . . . . . . . . 102 GLY CA . 50776 1 452 . 1 . 1 102 102 GLY N N 15 109.35 . . . . . . . . 102 GLY N . 50776 1 453 . 1 . 1 103 103 ASN H H 1 7.37 . . . . . . . . 103 ASN H . 50776 1 454 . 1 . 1 103 103 ASN C C 13 175.28 . . . . . . . . 103 ASN C . 50776 1 455 . 1 . 1 103 103 ASN CA C 13 54.14 . . . . . . . . 103 ASN CA . 50776 1 456 . 1 . 1 103 103 ASN CB C 13 40.07 . . . . . . . . 103 ASN CB . 50776 1 457 . 1 . 1 103 103 ASN N N 15 116.58 . . . . . . . . 103 ASN N . 50776 1 458 . 1 . 1 104 104 GLY H H 1 8.18 . . . . . . . . 104 GLY H . 50776 1 459 . 1 . 1 104 104 GLY C C 13 174.1 . . . . . . . . 104 GLY C . 50776 1 460 . 1 . 1 104 104 GLY CA C 13 45.21 . . . . . . . . 104 GLY CA . 50776 1 461 . 1 . 1 104 104 GLY N N 15 108.74 . . . . . . . . 104 GLY N . 50776 1 462 . 1 . 1 105 105 LEU H H 1 7.71 . . . . . . . . 105 LEU H . 50776 1 463 . 1 . 1 105 105 LEU C C 13 175.78 . . . . . . . . 105 LEU C . 50776 1 464 . 1 . 1 105 105 LEU CA C 13 53.61 . . . . . . . . 105 LEU CA . 50776 1 465 . 1 . 1 105 105 LEU CB C 13 41.68 . . . . . . . . 105 LEU CB . 50776 1 466 . 1 . 1 105 105 LEU N N 15 119.28 . . . . . . . . 105 LEU N . 50776 1 467 . 1 . 1 106 106 LEU H H 1 9.83 . . . . . . . . 106 LEU H . 50776 1 468 . 1 . 1 106 106 LEU C C 13 175.49 . . . . . . . . 106 LEU C . 50776 1 469 . 1 . 1 106 106 LEU CA C 13 54.01 . . . . . . . . 106 LEU CA . 50776 1 470 . 1 . 1 106 106 LEU CB C 13 41.79 . . . . . . . . 106 LEU CB . 50776 1 471 . 1 . 1 106 106 LEU N N 15 122.51 . . . . . . . . 106 LEU N . 50776 1 472 . 1 . 1 107 107 SER H H 1 7.74 . . . . . . . . 107 SER H . 50776 1 473 . 1 . 1 107 107 SER C C 13 173.02 . . . . . . . . 107 SER C . 50776 1 474 . 1 . 1 107 107 SER CA C 13 55.43 . . . . . . . . 107 SER CA . 50776 1 475 . 1 . 1 107 107 SER CB C 13 65.86 . . . . . . . . 107 SER CB . 50776 1 476 . 1 . 1 107 107 SER N N 15 115.51 . . . . . . . . 107 SER N . 50776 1 477 . 1 . 1 108 108 SER H H 1 8.69 . . . . . . . . 108 SER H . 50776 1 478 . 1 . 1 108 108 SER C C 13 171.91 . . . . . . . . 108 SER C . 50776 1 479 . 1 . 1 108 108 SER CA C 13 58.55 . . . . . . . . 108 SER CA . 50776 1 480 . 1 . 1 108 108 SER CB C 13 65.69 . . . . . . . . 108 SER CB . 50776 1 481 . 1 . 1 108 108 SER N N 15 120.79 . . . . . . . . 108 SER N . 50776 1 482 . 1 . 1 109 109 VAL H H 1 8.5 . . . . . . . . 109 VAL H . 50776 1 483 . 1 . 1 109 109 VAL C C 13 175.63 . . . . . . . . 109 VAL C . 50776 1 484 . 1 . 1 109 109 VAL CA C 13 59.41 . . . . . . . . 109 VAL CA . 50776 1 485 . 1 . 1 109 109 VAL CB C 13 35.46 . . . . . . . . 109 VAL CB . 50776 1 486 . 1 . 1 109 109 VAL N N 15 113.93 . . . . . . . . 109 VAL N . 50776 1 487 . 1 . 1 110 110 GLU H H 1 8.48 . . . . . . . . 110 GLU H . 50776 1 488 . 1 . 1 110 110 GLU C C 13 172.07 . . . . . . . . 110 GLU C . 50776 1 489 . 1 . 1 110 110 GLU CA C 13 53.34 . . . . . . . . 110 GLU CA . 50776 1 490 . 1 . 1 110 110 GLU CB C 13 31.69 . . . . . . . . 110 GLU CB . 50776 1 491 . 1 . 1 110 110 GLU N N 15 120.61 . . . . . . . . 110 GLU N . 50776 1 492 . 1 . 1 111 111 PRO C C 13 176.18 . . . . . . . . 111 PRO C . 50776 1 493 . 1 . 1 111 111 PRO CA C 13 62.8 . . . . . . . . 111 PRO CA . 50776 1 494 . 1 . 1 111 111 PRO CB C 13 31.51 . . . . . . . . 111 PRO CB . 50776 1 495 . 1 . 1 112 112 ASP H H 1 8.4 . . . . . . . . 112 ASP H . 50776 1 496 . 1 . 1 112 112 ASP C C 13 176.22 . . . . . . . . 112 ASP C . 50776 1 497 . 1 . 1 112 112 ASP CA C 13 54.22 . . . . . . . . 112 ASP CA . 50776 1 498 . 1 . 1 112 112 ASP CB C 13 43.27 . . . . . . . . 112 ASP CB . 50776 1 499 . 1 . 1 112 112 ASP N N 15 122.32 . . . . . . . . 112 ASP N . 50776 1 500 . 1 . 1 113 113 GLY H H 1 7.85 . . . . . . . . 113 GLY H . 50776 1 501 . 1 . 1 113 113 GLY C C 13 174.77 . . . . . . . . 113 GLY C . 50776 1 502 . 1 . 1 113 113 GLY CA C 13 45.44 . . . . . . . . 113 GLY CA . 50776 1 503 . 1 . 1 113 113 GLY N N 15 109.94 . . . . . . . . 113 GLY N . 50776 1 504 . 1 . 1 114 114 GLY H H 1 8.27 . . . . . . . . 114 GLY H . 50776 1 505 . 1 . 1 114 114 GLY C C 13 174.77 . . . . . . . . 114 GLY C . 50776 1 506 . 1 . 1 114 114 GLY CA C 13 45.17 . . . . . . . . 114 GLY CA . 50776 1 507 . 1 . 1 114 114 GLY N N 15 108.92 . . . . . . . . 114 GLY N . 50776 1 508 . 1 . 1 115 115 GLY H H 1 8.18 . . . . . . . . 115 GLY H . 50776 1 509 . 1 . 1 115 115 GLY C C 13 174.13 . . . . . . . . 115 GLY C . 50776 1 510 . 1 . 1 115 115 GLY CA C 13 45.19 . . . . . . . . 115 GLY CA . 50776 1 511 . 1 . 1 115 115 GLY N N 15 108.81 . . . . . . . . 115 GLY N . 50776 1 512 . 1 . 1 116 116 CYS H H 1 8.24 . . . . . . . . 116 CYS H . 50776 1 513 . 1 . 1 116 116 CYS C C 13 174.89 . . . . . . . . 116 CYS C . 50776 1 514 . 1 . 1 116 116 CYS CA C 13 55.9 . . . . . . . . 116 CYS CA . 50776 1 515 . 1 . 1 116 116 CYS CB C 13 28.23 . . . . . . . . 116 CYS CB . 50776 1 516 . 1 . 1 116 116 CYS N N 15 119.37 . . . . . . . . 116 CYS N . 50776 1 517 . 1 . 1 117 117 ALA H H 1 8.42 . . . . . . . . 117 ALA H . 50776 1 518 . 1 . 1 117 117 ALA C C 13 177.56 . . . . . . . . 117 ALA C . 50776 1 519 . 1 . 1 117 117 ALA CA C 13 52.99 . . . . . . . . 117 ALA CA . 50776 1 520 . 1 . 1 117 117 ALA CB C 13 19.14 . . . . . . . . 117 ALA CB . 50776 1 521 . 1 . 1 117 117 ALA N N 15 126.46 . . . . . . . . 117 ALA N . 50776 1 522 . 1 . 1 118 118 GLU H H 1 8.21 . . . . . . . . 118 GLU H . 50776 1 523 . 1 . 1 118 118 GLU C C 13 176.13 . . . . . . . . 118 GLU C . 50776 1 524 . 1 . 1 118 118 GLU CA C 13 57.05 . . . . . . . . 118 GLU CA . 50776 1 525 . 1 . 1 118 118 GLU CB C 13 30.37 . . . . . . . . 118 GLU CB . 50776 1 526 . 1 . 1 118 118 GLU N N 15 119.44 . . . . . . . . 118 GLU N . 50776 1 527 . 1 . 1 119 119 PHE H H 1 7.95 . . . . . . . . 119 PHE H . 50776 1 528 . 1 . 1 119 119 PHE C C 13 175.33 . . . . . . . . 119 PHE C . 50776 1 529 . 1 . 1 119 119 PHE CA C 13 58.2 . . . . . . . . 119 PHE CA . 50776 1 530 . 1 . 1 119 119 PHE CB C 13 39.47 . . . . . . . . 119 PHE CB . 50776 1 531 . 1 . 1 119 119 PHE N N 15 119.88 . . . . . . . . 119 PHE N . 50776 1 532 . 1 . 1 120 120 LEU H H 1 7.97 . . . . . . . . 120 LEU H . 50776 1 533 . 1 . 1 120 120 LEU C C 13 176.61 . . . . . . . . 120 LEU C . 50776 1 534 . 1 . 1 120 120 LEU CA C 13 54.84 . . . . . . . . 120 LEU CA . 50776 1 535 . 1 . 1 120 120 LEU CB C 13 42.56 . . . . . . . . 120 LEU CB . 50776 1 536 . 1 . 1 120 120 LEU N N 15 123.61 . . . . . . . . 120 LEU N . 50776 1 537 . 1 . 1 121 121 VAL H H 1 7.89 . . . . . . . . 121 VAL H . 50776 1 538 . 1 . 1 121 121 VAL C C 13 174.33 . . . . . . . . 121 VAL C . 50776 1 539 . 1 . 1 121 121 VAL CA C 13 59.79 . . . . . . . . 121 VAL CA . 50776 1 540 . 1 . 1 121 121 VAL CB C 13 32.66 . . . . . . . . 121 VAL CB . 50776 1 541 . 1 . 1 121 121 VAL N N 15 122.44 . . . . . . . . 121 VAL N . 50776 1 542 . 1 . 1 122 122 PRO C C 13 176.04 . . . . . . . . 122 PRO C . 50776 1 543 . 1 . 1 122 122 PRO CA C 13 63.42 . . . . . . . . 122 PRO CA . 50776 1 544 . 1 . 1 122 122 PRO CB C 13 32.04 . . . . . . . . 122 PRO CB . 50776 1 545 . 1 . 1 123 123 ARG H H 1 7.88 . . . . . . . . 123 ARG H . 50776 1 546 . 1 . 1 123 123 ARG C C 13 181.2 . . . . . . . . 123 ARG C . 50776 1 547 . 1 . 1 123 123 ARG CA C 13 57.58 . . . . . . . . 123 ARG CA . 50776 1 548 . 1 . 1 123 123 ARG CB C 13 31.6 . . . . . . . . 123 ARG CB . 50776 1 549 . 1 . 1 123 123 ARG N N 15 126.76 . . . . . . . . 123 ARG N . 50776 1 stop_ save_