################################### # 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 16661 _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 '3D HNCA' . . . 16661 1 2 '3D HNCACB' . . . 16661 1 3 '3D HN(CO)CA' . . . 16661 1 4 '3D CBCA(CO)NH' . . . 16661 1 5 '3D HN(CO)CACB' . . . 16661 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 3 $MONTE . . 16661 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 2 2 LYS H H 1 7.09 0.1 . 1 . . . . 18 LYS H . 16661 1 2 . 1 1 2 2 LYS CA C 13 56.00 0.1 . 1 . . . . 18 LYS CA . 16661 1 3 . 1 1 2 2 LYS CB C 13 32.86 0.1 . 1 . . . . 18 LYS CB . 16661 1 4 . 1 1 2 2 LYS N N 15 115.48 0.1 . 1 . . . . 18 LYS N . 16661 1 5 . 1 1 3 3 ASN H H 1 8.60 0.1 . 1 . . . . 19 ASN H . 16661 1 6 . 1 1 3 3 ASN CA C 13 53.29 0.1 . 1 . . . . 19 ASN CA . 16661 1 7 . 1 1 3 3 ASN CB C 13 38.79 0.1 . 1 . . . . 19 ASN CB . 16661 1 8 . 1 1 3 3 ASN N N 15 121.27 0.1 . 1 . . . . 19 ASN N . 16661 1 9 . 1 1 4 4 THR H H 1 8.22 0.1 . 1 . . . . 20 THR H . 16661 1 10 . 1 1 4 4 THR CA C 13 62.02 0.1 . 1 . . . . 20 THR CA . 16661 1 11 . 1 1 4 4 THR CB C 13 69.65 0.1 . 1 . . . . 20 THR CB . 16661 1 12 . 1 1 4 4 THR N N 15 114.97 0.1 . 1 . . . . 20 THR N . 16661 1 13 . 1 1 5 5 GLN H H 1 8.38 0.1 . 1 . . . . 21 GLN H . 16661 1 14 . 1 1 5 5 GLN CA C 13 56.18 0.1 . 1 . . . . 21 GLN CA . 16661 1 15 . 1 1 5 5 GLN CB C 13 29.31 0.1 . 1 . . . . 21 GLN CB . 16661 1 16 . 1 1 5 5 GLN N N 15 122.62 0.1 . 1 . . . . 21 GLN N . 16661 1 17 . 1 1 6 6 LYS H H 1 8.35 0.1 . 1 . . . . 22 LYS H . 16661 1 18 . 1 1 6 6 LYS CA C 13 56.61 0.1 . 1 . . . . 22 LYS CA . 16661 1 19 . 1 1 6 6 LYS CB C 13 32.99 0.1 . 1 . . . . 22 LYS CB . 16661 1 20 . 1 1 6 6 LYS N N 15 122.62 0.1 . 1 . . . . 22 LYS N . 16661 1 21 . 1 1 7 7 ASP H H 1 8.31 0.1 . 1 . . . . 23 ASP H . 16661 1 22 . 1 1 7 7 ASP CA C 13 54.59 0.1 . 1 . . . . 23 ASP CA . 16661 1 23 . 1 1 7 7 ASP CB C 13 41.18 0.1 . 1 . . . . 23 ASP CB . 16661 1 24 . 1 1 7 7 ASP N N 15 121.20 0.1 . 1 . . . . 23 ASP N . 16661 1 25 . 1 1 8 8 GLY H H 1 8.32 0.1 . 1 . . . . 24 GLY H . 16661 1 26 . 1 1 8 8 GLY CA C 13 45.75 0.1 . 1 . . . . 24 GLY CA . 16661 1 27 . 1 1 8 8 GLY N N 15 108.88 0.1 . 1 . . . . 24 GLY N . 16661 1 28 . 1 1 9 9 VAL H H 1 7.98 0.1 . 1 . . . . 25 VAL H . 16661 1 29 . 1 1 9 9 VAL CA C 13 63.00 0.1 . 1 . . . . 25 VAL CA . 16661 1 30 . 1 1 9 9 VAL CB C 13 32.47 0.1 . 1 . . . . 25 VAL CB . 16661 1 31 . 1 1 9 9 VAL N N 15 119.94 0.1 . 1 . . . . 25 VAL N . 16661 1 32 . 1 1 10 10 SER H H 1 8.31 0.1 . 1 . . . . 26 SER H . 16661 1 33 . 1 1 10 10 SER CA C 13 58.79 0.1 . 1 . . . . 26 SER CA . 16661 1 34 . 1 1 10 10 SER CB C 13 63.79 0.1 . 1 . . . . 26 SER CB . 16661 1 35 . 1 1 10 10 SER N N 15 118.91 0.1 . 1 . . . . 26 SER N . 16661 1 36 . 1 1 11 11 LEU H H 1 8.28 0.1 . 1 . . . . 27 LEU H . 16661 1 37 . 1 1 11 11 LEU CA C 13 56.20 0.1 . 1 . . . . 27 LEU CA . 16661 1 38 . 1 1 11 11 LEU CB C 13 42.02 0.1 . 1 . . . . 27 LEU CB . 16661 1 39 . 1 1 11 11 LEU N N 15 124.16 0.1 . 1 . . . . 27 LEU N . 16661 1 40 . 1 1 12 12 GLN H H 1 8.22 0.1 . 1 . . . . 28 GLN H . 16661 1 41 . 1 1 12 12 GLN CA C 13 57.09 0.1 . 1 . . . . 28 GLN CA . 16661 1 42 . 1 1 12 12 GLN CB C 13 28.79 0.1 . 1 . . . . 28 GLN CB . 16661 1 43 . 1 1 12 12 GLN N N 15 119.94 0.1 . 1 . . . . 28 GLN N . 16661 1 44 . 1 1 13 13 ILE H H 1 7.96 0.1 . 1 . . . . 29 ILE H . 16661 1 45 . 1 1 13 13 ILE CA C 13 62.27 0.1 . 1 . . . . 29 ILE CA . 16661 1 46 . 1 1 13 13 ILE CB C 13 38.15 0.1 . 1 . . . . 29 ILE CB . 16661 1 47 . 1 1 13 13 ILE N N 15 121.27 0.1 . 1 . . . . 29 ILE N . 16661 1 48 . 1 1 14 14 LEU H H 1 8.09 0.1 . 1 . . . . 30 LEU H . 16661 1 49 . 1 1 14 14 LEU CA C 13 56.08 0.1 . 1 . . . . 30 LEU CA . 16661 1 50 . 1 1 14 14 LEU CB C 13 42.11 0.1 . 1 . . . . 30 LEU CB . 16661 1 51 . 1 1 14 14 LEU N N 15 124.31 0.1 . 1 . . . . 30 LEU N . 16661 1 52 . 1 1 15 15 LYS H H 1 8.18 0.1 . 1 . . . . 31 LYS H . 16661 1 53 . 1 1 15 15 LYS CA C 13 57.29 0.1 . 1 . . . . 31 LYS CA . 16661 1 54 . 1 1 15 15 LYS CB C 13 32.75 0.1 . 1 . . . . 31 LYS CB . 16661 1 55 . 1 1 15 15 LYS N N 15 120.98 0.1 . 1 . . . . 31 LYS N . 16661 1 56 . 1 1 16 16 LYS H H 1 8.02 0.1 . 1 . . . . 32 LYS H . 16661 1 57 . 1 1 16 16 LYS CA C 13 57.02 0.1 . 1 . . . . 32 LYS CA . 16661 1 58 . 1 1 16 16 LYS CB C 13 32.84 0.1 . 1 . . . . 32 LYS CB . 16661 1 59 . 1 1 16 16 LYS N N 15 121.73 0.1 . 1 . . . . 32 LYS N . 16661 1 60 . 1 1 17 17 LYS H H 1 8.25 0.1 . 1 . . . . 33 LYS H . 16661 1 61 . 1 1 17 17 LYS CA C 13 57.06 0.1 . 1 . . . . 33 LYS CA . 16661 1 62 . 1 1 17 17 LYS CB C 13 32.88 0.1 . 1 . . . . 33 LYS CB . 16661 1 63 . 1 1 17 17 LYS N N 15 122.23 0.1 . 1 . . . . 33 LYS N . 16661 1 64 . 1 1 18 18 ARG H H 1 8.34 0.1 . 1 . . . . 34 ARG H . 16661 1 65 . 1 1 18 18 ARG CA C 13 56.75 0.1 . 1 . . . . 34 ARG CA . 16661 1 66 . 1 1 18 18 ARG CB C 13 30.68 0.1 . 1 . . . . 34 ARG CB . 16661 1 67 . 1 1 18 18 ARG N N 15 121.94 0.1 . 1 . . . . 34 ARG N . 16661 1 68 . 1 1 19 19 SER H H 1 8.30 0.1 . 1 . . . . 35 SER H . 16661 1 69 . 1 1 19 19 SER CA C 13 58.79 0.1 . 1 . . . . 35 SER CA . 16661 1 70 . 1 1 19 19 SER CB C 13 63.68 0.1 . 1 . . . . 35 SER CB . 16661 1 71 . 1 1 19 19 SER N N 15 116.52 0.1 . 1 . . . . 35 SER N . 16661 1 72 . 1 1 20 20 ASN H H 1 8.39 0.1 . 1 . . . . 36 ASN H . 16661 1 73 . 1 1 20 20 ASN CA C 13 53.56 0.1 . 1 . . . . 36 ASN CA . 16661 1 74 . 1 1 20 20 ASN CB C 13 38.70 0.1 . 1 . . . . 36 ASN CB . 16661 1 75 . 1 1 20 20 ASN N N 15 120.54 0.1 . 1 . . . . 36 ASN N . 16661 1 76 . 1 1 21 21 GLN H H 1 8.22 0.1 . 1 . . . . 37 GLN H . 16661 1 77 . 1 1 21 21 GLN CA C 13 56.38 0.1 . 1 . . . . 37 GLN CA . 16661 1 78 . 1 1 21 21 GLN CB C 13 29.32 0.1 . 1 . . . . 37 GLN CB . 16661 1 79 . 1 1 21 21 GLN N N 15 120.45 0.1 . 1 . . . . 37 GLN N . 16661 1 80 . 1 1 22 22 VAL H H 1 8.10 0.1 . 1 . . . . 38 VAL H . 16661 1 81 . 1 1 22 22 VAL CA C 13 62.86 0.1 . 1 . . . . 38 VAL CA . 16661 1 82 . 1 1 22 22 VAL CB C 13 32.52 0.1 . 1 . . . . 38 VAL CB . 16661 1 83 . 1 1 22 22 VAL N N 15 120.83 0.1 . 1 . . . . 38 VAL N . 16661 1 84 . 1 1 23 23 ASN H H 1 8.34 0.1 . 1 . . . . 39 ASN H . 16661 1 85 . 1 1 23 23 ASN CA C 13 53.36 0.1 . 1 . . . . 39 ASN CA . 16661 1 86 . 1 1 23 23 ASN CB C 13 38.83 0.1 . 1 . . . . 39 ASN CB . 16661 1 87 . 1 1 23 23 ASN N N 15 121.34 0.1 . 1 . . . . 39 ASN N . 16661 1 88 . 1 1 24 24 PHE H H 1 8.17 0.1 . 1 . . . . 40 PHE H . 16661 1 89 . 1 1 24 24 PHE CA C 13 58.36 0.1 . 1 . . . . 40 PHE CA . 16661 1 90 . 1 1 24 24 PHE CB C 13 39.33 0.1 . 1 . . . . 40 PHE CB . 16661 1 91 . 1 1 24 24 PHE N N 15 120.91 0.1 . 1 . . . . 40 PHE N . 16661 1 92 . 1 1 25 25 LEU H H 1 8.09 0.1 . 1 . . . . 41 LEU H . 16661 1 93 . 1 1 25 25 LEU CA C 13 55.65 0.1 . 1 . . . . 41 LEU CA . 16661 1 94 . 1 1 25 25 LEU CB C 13 42.11 0.1 . 1 . . . . 41 LEU CB . 16661 1 95 . 1 1 25 25 LEU N N 15 122.23 0.1 . 1 . . . . 41 LEU N . 16661 1 96 . 1 1 26 26 ASN H H 1 8.22 0.1 . 1 . . . . 42 ASN H . 16661 1 97 . 1 1 26 26 ASN CA C 13 53.36 0.1 . 1 . . . . 42 ASN CA . 16661 1 98 . 1 1 26 26 ASN CB C 13 38.59 0.1 . 1 . . . . 42 ASN CB . 16661 1 99 . 1 1 26 26 ASN N N 15 118.76 0.1 . 1 . . . . 42 ASN N . 16661 1 100 . 1 1 27 27 ARG H H 1 8.07 0.1 . 1 . . . . 43 ARG H . 16661 1 101 . 1 1 27 27 ARG CA C 13 56.33 0.1 . 1 . . . . 43 ARG CA . 16661 1 102 . 1 1 27 27 ARG CB C 13 30.63 0.1 . 1 . . . . 43 ARG CB . 16661 1 103 . 1 1 27 27 ARG N N 15 121.12 0.1 . 1 . . . . 43 ARG N . 16661 1 104 . 1 1 28 28 LYS H H 1 8.28 0.1 . 1 . . . . 44 LYS H . 16661 1 105 . 1 1 28 28 LYS CA C 13 56.63 0.1 . 1 . . . . 44 LYS CA . 16661 1 106 . 1 1 28 28 LYS CB C 13 32.79 0.1 . 1 . . . . 44 LYS CB . 16661 1 107 . 1 1 28 28 LYS N N 15 121.94 0.1 . 1 . . . . 44 LYS N . 16661 1 108 . 1 1 29 29 ASN H H 1 8.36 0.1 . 1 . . . . 45 ASN H . 16661 1 109 . 1 1 29 29 ASN CA C 13 53.38 0.1 . 1 . . . . 45 ASN CA . 16661 1 110 . 1 1 29 29 ASN CB C 13 38.86 0.1 . 1 . . . . 45 ASN CB . 16661 1 111 . 1 1 29 29 ASN N N 15 119.43 0.1 . 1 . . . . 45 ASN N . 16661 1 112 . 1 1 30 30 ASP H H 1 8.14 0.1 . 1 . . . . 46 ASP H . 16661 1 113 . 1 1 30 30 ASP CA C 13 54.34 0.1 . 1 . . . . 46 ASP CA . 16661 1 114 . 1 1 30 30 ASP CB C 13 40.90 0.1 . 1 . . . . 46 ASP CB . 16661 1 115 . 1 1 30 30 ASP N N 15 120.61 0.1 . 1 . . . . 46 ASP N . 16661 1 116 . 1 1 31 31 TYR H H 1 8.07 0.1 . 1 . . . . 47 TYR H . 16661 1 117 . 1 1 31 31 TYR CA C 13 58.65 0.1 . 1 . . . . 47 TYR CA . 16661 1 118 . 1 1 31 31 TYR CB C 13 38.24 0.1 . 1 . . . . 47 TYR CB . 16661 1 119 . 1 1 31 31 TYR N N 15 120.91 0.1 . 1 . . . . 47 TYR N . 16661 1 120 . 1 1 32 32 ASN H H 1 8.27 0.1 . 1 . . . . 48 ASN H . 16661 1 121 . 1 1 32 32 ASN CA C 13 53.74 0.1 . 1 . . . . 48 ASN CA . 16661 1 122 . 1 1 32 32 ASN CB C 13 38.59 0.1 . 1 . . . . 48 ASN CB . 16661 1 123 . 1 1 32 32 ASN N N 15 119.12 0.1 . 1 . . . . 48 ASN N . 16661 1 124 . 1 1 33 33 LEU H H 1 7.90 0.1 . 1 . . . . 49 LEU H . 16661 1 125 . 1 1 33 33 LEU CA C 13 55.72 0.1 . 1 . . . . 49 LEU CA . 16661 1 126 . 1 1 33 33 LEU CB C 13 42.18 0.1 . 1 . . . . 49 LEU CB . 16661 1 127 . 1 1 33 33 LEU N N 15 121.50 0.1 . 1 . . . . 49 LEU N . 16661 1 128 . 1 1 34 34 ILE H H 1 7.94 0.1 . 1 . . . . 50 ILE H . 16661 1 129 . 1 1 34 34 ILE CA C 13 61.40 0.1 . 1 . . . . 50 ILE CA . 16661 1 130 . 1 1 34 34 ILE CB C 13 38.18 0.1 . 1 . . . . 50 ILE CB . 16661 1 131 . 1 1 34 34 ILE N N 15 120.98 0.1 . 1 . . . . 50 ILE N . 16661 1 132 . 1 1 35 35 LYS H H 1 8.22 0.1 . 1 . . . . 51 LYS H . 16661 1 133 . 1 1 35 35 LYS CA C 13 56.52 0.1 . 1 . . . . 51 LYS CA . 16661 1 134 . 1 1 35 35 LYS CB C 13 32.81 0.1 . 1 . . . . 51 LYS CB . 16661 1 135 . 1 1 35 35 LYS N N 15 124.76 0.1 . 1 . . . . 51 LYS N . 16661 1 136 . 1 1 36 36 ASN H H 1 8.28 0.1 . 1 . . . . 52 ASN H . 16661 1 137 . 1 1 36 36 ASN CA C 13 53.27 0.1 . 1 . . . . 52 ASN CA . 16661 1 138 . 1 1 36 36 ASN CB C 13 38.84 0.1 . 1 . . . . 52 ASN CB . 16661 1 139 . 1 1 36 36 ASN N N 15 119.50 0.1 . 1 . . . . 52 ASN N . 16661 1 140 . 1 1 37 37 LYS H H 1 8.22 0.1 . 1 . . . . 53 LYS H . 16661 1 141 . 1 1 37 37 LYS CA C 13 56.36 0.1 . 1 . . . . 53 LYS CA . 16661 1 142 . 1 1 37 37 LYS CB C 13 32.99 0.1 . 1 . . . . 53 LYS CB . 16661 1 143 . 1 1 37 37 LYS N N 15 121.65 0.1 . 1 . . . . 53 LYS N . 16661 1 144 . 1 1 38 38 ASN H H 1 8.46 0.1 . 1 . . . . 54 ASN H . 16661 1 145 . 1 1 38 38 ASN CA C 13 51.40 0.1 . 1 . . . . 54 ASN CA . 16661 1 146 . 1 1 38 38 ASN CB C 13 38.72 0.1 . 1 . . . . 54 ASN CB . 16661 1 147 . 1 1 38 38 ASN N N 15 120.69 0.1 . 1 . . . . 54 ASN N . 16661 1 148 . 1 1 39 39 PRO CA C 13 63.70 0.1 . 1 . . . . 55 PRO CA . 16661 1 149 . 1 1 39 39 PRO CB C 13 32.08 0.1 . 1 . . . . 55 PRO CB . 16661 1 150 . 1 1 40 40 SER H H 1 8.39 0.1 . 1 . . . . 56 SER H . 16661 1 151 . 1 1 40 40 SER CA C 13 58.68 0.1 . 1 . . . . 56 SER CA . 16661 1 152 . 1 1 40 40 SER CB C 13 63.68 0.1 . 1 . . . . 56 SER CB . 16661 1 153 . 1 1 40 40 SER N N 15 115.72 0.1 . 1 . . . . 56 SER N . 16661 1 154 . 1 1 41 41 SER H H 1 8.31 0.1 . 1 . . . . 57 SER H . 16661 1 155 . 1 1 41 41 SER CA C 13 58.79 0.1 . 1 . . . . 57 SER CA . 16661 1 156 . 1 1 41 41 SER CB C 13 63.84 0.1 . 1 . . . . 57 SER CB . 16661 1 157 . 1 1 41 41 SER N N 15 117.87 0.1 . 1 . . . . 57 SER N . 16661 1 158 . 1 1 42 42 SER H H 1 8.35 0.1 . 1 . . . . 58 SER H . 16661 1 159 . 1 1 42 42 SER CA C 13 58.70 0.1 . 1 . . . . 58 SER CA . 16661 1 160 . 1 1 42 42 SER CB C 13 63.83 0.1 . 1 . . . . 58 SER CB . 16661 1 161 . 1 1 42 42 SER N N 15 117.87 0.1 . 1 . . . . 58 SER N . 16661 1 162 . 1 1 43 43 LEU H H 1 8.25 0.1 . 1 . . . . 59 LEU H . 16661 1 163 . 1 1 43 43 LEU CA C 13 56.45 0.1 . 1 . . . . 59 LEU CA . 16661 1 164 . 1 1 43 43 LEU CB C 13 42.00 0.1 . 1 . . . . 59 LEU CB . 16661 1 165 . 1 1 43 43 LEU N N 15 124.40 0.1 . 1 . . . . 59 LEU N . 16661 1 166 . 1 1 44 44 LYS H H 1 8.25 0.1 . 1 . . . . 60 LYS H . 16661 1 167 . 1 1 44 44 LYS CA C 13 57.49 0.1 . 1 . . . . 60 LYS CA . 16661 1 168 . 1 1 44 44 LYS CB C 13 32.86 0.1 . 1 . . . . 60 LYS CB . 16661 1 169 . 1 1 44 44 LYS N N 15 121.20 0.1 . 1 . . . . 60 LYS N . 16661 1 170 . 1 1 45 45 SER H H 1 8.50 0.1 . 1 . . . . 61 SER H . 16661 1 171 . 1 1 45 45 SER CA C 13 59.24 0.1 . 1 . . . . 61 SER CA . 16661 1 172 . 1 1 45 45 SER CB C 13 63.77 0.1 . 1 . . . . 61 SER CB . 16661 1 173 . 1 1 45 45 SER N N 15 116.45 0.1 . 1 . . . . 61 SER N . 16661 1 174 . 1 1 46 46 THR H H 1 8.32 0.1 . 1 . . . . 62 THR H . 16661 1 175 . 1 1 46 46 THR CA C 13 66.59 0.1 . 1 . . . . 62 THR CA . 16661 1 176 . 1 1 46 46 THR CB C 13 68.31 0.1 . 1 . . . . 62 THR CB . 16661 1 177 . 1 1 46 46 THR N N 15 119.50 0.1 . 1 . . . . 62 THR N . 16661 1 178 . 1 1 47 47 PHE H H 1 8.68 0.1 . 1 . . . . 63 PHE H . 16661 1 179 . 1 1 47 47 PHE CA C 13 59.59 0.1 . 1 . . . . 63 PHE CA . 16661 1 180 . 1 1 47 47 PHE CB C 13 38.75 0.1 . 1 . . . . 63 PHE CB . 16661 1 181 . 1 1 47 47 PHE N N 15 120.69 0.1 . 1 . . . . 63 PHE N . 16661 1 182 . 1 1 48 48 ASP H H 1 8.27 0.1 . 1 . . . . 64 ASP H . 16661 1 183 . 1 1 48 48 ASP CA C 13 58.06 0.1 . 1 . . . . 64 ASP CA . 16661 1 184 . 1 1 48 48 ASP CB C 13 40.50 0.1 . 1 . . . . 64 ASP CB . 16661 1 185 . 1 1 48 48 ASP N N 15 119.50 0.1 . 1 . . . . 64 ASP N . 16661 1 186 . 1 1 49 49 ASP H H 1 8.17 0.1 . 1 . . . . 65 ASP H . 16661 1 187 . 1 1 49 49 ASP CA C 13 57.50 0.1 . 1 . . . . 65 ASP CA . 16661 1 188 . 1 1 49 49 ASP CB C 13 41.29 0.1 . 1 . . . . 65 ASP CB . 16661 1 189 . 1 1 49 49 ASP N N 15 118.91 0.1 . 1 . . . . 65 ASP N . 16661 1 190 . 1 1 50 50 ILE H H 1 8.76 0.1 . 1 . . . . 66 ILE H . 16661 1 191 . 1 1 50 50 ILE CA C 13 65.98 0.1 . 1 . . . . 66 ILE CA . 16661 1 192 . 1 1 50 50 ILE CB C 13 37.61 0.1 . 1 . . . . 66 ILE CB . 16661 1 193 . 1 1 50 50 ILE N N 15 121.34 0.1 . 1 . . . . 66 ILE N . 16661 1 194 . 1 1 51 51 LYS H H 1 8.69 0.1 . 1 . . . . 67 LYS H . 16661 1 195 . 1 1 51 51 LYS CA C 13 61.20 0.1 . 1 . . . . 67 LYS CA . 16661 1 196 . 1 1 51 51 LYS CB C 13 32.20 0.1 . 1 . . . . 67 LYS CB . 16661 1 197 . 1 1 51 51 LYS N N 15 122.01 0.1 . 1 . . . . 67 LYS N . 16661 1 198 . 1 1 52 52 LYS H H 1 7.36 0.1 . 1 . . . . 68 LYS H . 16661 1 199 . 1 1 52 52 LYS CA C 13 59.61 0.1 . 1 . . . . 68 LYS CA . 16661 1 200 . 1 1 52 52 LYS CB C 13 32.25 0.1 . 1 . . . . 68 LYS CB . 16661 1 201 . 1 1 52 52 LYS N N 15 117.72 0.1 . 1 . . . . 68 LYS N . 16661 1 202 . 1 1 53 53 ILE H H 1 7.28 0.1 . 1 . . . . 69 ILE H . 16661 1 203 . 1 1 53 53 ILE CA C 13 64.73 0.1 . 1 . . . . 69 ILE CA . 16661 1 204 . 1 1 53 53 ILE CB C 13 38.77 0.1 . 1 . . . . 69 ILE CB . 16661 1 205 . 1 1 53 53 ILE N N 15 119.43 0.1 . 1 . . . . 69 ILE N . 16661 1 206 . 1 1 54 54 ILE H H 1 8.56 0.1 . 1 . . . . 70 ILE H . 16661 1 207 . 1 1 54 54 ILE CA C 13 65.81 0.1 . 1 . . . . 70 ILE CA . 16661 1 208 . 1 1 54 54 ILE CB C 13 38.02 0.1 . 1 . . . . 70 ILE CB . 16661 1 209 . 1 1 54 54 ILE N N 15 119.65 0.1 . 1 . . . . 70 ILE N . 16661 1 210 . 1 1 55 55 SER H H 1 8.44 0.1 . 1 . . . . 71 SER H . 16661 1 211 . 1 1 55 55 SER CA C 13 61.20 0.1 . 1 . . . . 71 SER CA . 16661 1 212 . 1 1 55 55 SER CB C 13 63.75 0.1 . 1 . . . . 71 SER CB . 16661 1 213 . 1 1 55 55 SER N N 15 113.70 0.1 . 1 . . . . 71 SER N . 16661 1 214 . 1 1 56 56 LYS H H 1 7.44 0.1 . 1 . . . . 72 LYS H . 16661 1 215 . 1 1 56 56 LYS CA C 13 58.52 0.1 . 1 . . . . 72 LYS CA . 16661 1 216 . 1 1 56 56 LYS CB C 13 32.68 0.1 . 1 . . . . 72 LYS CB . 16661 1 217 . 1 1 56 56 LYS N N 15 118.16 0.1 . 1 . . . . 72 LYS N . 16661 1 218 . 1 1 57 57 GLN H H 1 8.17 0.1 . 1 . . . . 73 GLN H . 16661 1 219 . 1 1 57 57 GLN CA C 13 58.06 0.1 . 1 . . . . 73 GLN CA . 16661 1 220 . 1 1 57 57 GLN CB C 13 28.87 0.1 . 1 . . . . 73 GLN CB . 16661 1 221 . 1 1 57 57 GLN N N 15 116.98 0.1 . 1 . . . . 73 GLN N . 16661 1 222 . 1 1 58 58 LEU H H 1 8.46 0.1 . 1 . . . . 74 LEU H . 16661 1 223 . 1 1 58 58 LEU CA C 13 54.02 0.1 . 1 . . . . 74 LEU CA . 16661 1 224 . 1 1 58 58 LEU CB C 13 41.31 0.1 . 1 . . . . 74 LEU CB . 16661 1 225 . 1 1 58 58 LEU N N 15 113.48 0.1 . 1 . . . . 74 LEU N . 16661 1 226 . 1 1 59 59 SER H H 1 7.69 0.1 . 1 . . . . 75 SER H . 16661 1 227 . 1 1 59 59 SER CA C 13 58.63 0.1 . 1 . . . . 75 SER CA . 16661 1 228 . 1 1 59 59 SER CB C 13 61.15 0.1 . 1 . . . . 75 SER CB . 16661 1 229 . 1 1 59 59 SER N N 15 114.30 0.1 . 1 . . . . 75 SER N . 16661 1 230 . 1 1 60 60 VAL H H 1 7.30 0.1 . 1 . . . . 76 VAL H . 16661 1 231 . 1 1 60 60 VAL CA C 13 58.79 0.1 . 1 . . . . 76 VAL CA . 16661 1 232 . 1 1 60 60 VAL CB C 13 35.15 0.1 . 1 . . . . 76 VAL CB . 16661 1 233 . 1 1 60 60 VAL N N 15 114.90 0.1 . 1 . . . . 76 VAL N . 16661 1 234 . 1 1 61 61 GLU H H 1 8.78 0.1 . 1 . . . . 77 GLU H . 16661 1 235 . 1 1 61 61 GLU CA C 13 57.20 0.1 . 1 . . . . 77 GLU CA . 16661 1 236 . 1 1 61 61 GLU CB C 13 29.73 0.1 . 1 . . . . 77 GLU CB . 16661 1 237 . 1 1 61 61 GLU N N 15 126.25 0.1 . 1 . . . . 77 GLU N . 16661 1 238 . 1 1 62 62 GLU H H 1 8.84 0.1 . 1 . . . . 78 GLU H . 16661 1 239 . 1 1 62 62 GLU CA C 13 60.59 0.1 . 1 . . . . 78 GLU CA . 16661 1 240 . 1 1 62 62 GLU CB C 13 29.86 0.1 . 1 . . . . 78 GLU CB . 16661 1 241 . 1 1 62 62 GLU N N 15 122.76 0.1 . 1 . . . . 78 GLU N . 16661 1 242 . 1 1 63 63 ASP H H 1 8.39 0.1 . 1 . . . . 79 ASP H . 16661 1 243 . 1 1 63 63 ASP CA C 13 55.54 0.1 . 1 . . . . 79 ASP CA . 16661 1 244 . 1 1 63 63 ASP CB C 13 39.86 0.1 . 1 . . . . 79 ASP CB . 16661 1 245 . 1 1 63 63 ASP N N 15 114.01 0.1 . 1 . . . . 79 ASP N . 16661 1 246 . 1 1 64 64 LYS H H 1 7.65 0.1 . 1 . . . . 80 LYS H . 16661 1 247 . 1 1 64 64 LYS CA C 13 55.86 0.1 . 1 . . . . 80 LYS CA . 16661 1 248 . 1 1 64 64 LYS CB C 13 32.50 0.1 . 1 . . . . 80 LYS CB . 16661 1 249 . 1 1 64 64 LYS N N 15 117.30 0.1 . 1 . . . . 80 LYS N . 16661 1 250 . 1 1 65 65 ILE H H 1 7.40 0.1 . 1 . . . . 81 ILE H . 16661 1 251 . 1 1 65 65 ILE CA C 13 62.50 0.1 . 1 . . . . 81 ILE CA . 16661 1 252 . 1 1 65 65 ILE CB C 13 37.95 0.1 . 1 . . . . 81 ILE CB . 16661 1 253 . 1 1 65 65 ILE N N 15 119.87 0.1 . 1 . . . . 81 ILE N . 16661 1 254 . 1 1 66 66 GLN H H 1 8.81 0.1 . 1 . . . . 82 GLN H . 16661 1 255 . 1 1 66 66 GLN CA C 13 53.04 0.1 . 1 . . . . 82 GLN CA . 16661 1 256 . 1 1 66 66 GLN CB C 13 31.01 0.1 . 1 . . . . 82 GLN CB . 16661 1 257 . 1 1 66 66 GLN N N 15 125.05 0.1 . 1 . . . . 82 GLN N . 16661 1 258 . 1 1 67 67 MET H H 1 8.85 0.1 . 1 . . . . 83 MET H . 16661 1 259 . 1 1 67 67 MET CA C 13 58.65 0.1 . 1 . . . . 83 MET CA . 16661 1 260 . 1 1 67 67 MET CB C 13 31.57 0.1 . 1 . . . . 83 MET CB . 16661 1 261 . 1 1 67 67 MET N N 15 120.16 0.1 . 1 . . . . 83 MET N . 16661 1 262 . 1 1 68 68 ASN H H 1 7.73 0.1 . 1 . . . . 84 ASN H . 16661 1 263 . 1 1 68 68 ASN CA C 13 51.54 0.1 . 1 . . . . 84 ASN CA . 16661 1 264 . 1 1 68 68 ASN CB C 13 37.81 0.1 . 1 . . . . 84 ASN CB . 16661 1 265 . 1 1 68 68 ASN N N 15 109.26 0.1 . 1 . . . . 84 ASN N . 16661 1 266 . 1 1 69 69 SER H H 1 7.63 0.1 . 1 . . . . 85 SER H . 16661 1 267 . 1 1 69 69 SER CA C 13 61.33 0.1 . 1 . . . . 85 SER CA . 16661 1 268 . 1 1 69 69 SER CB C 13 63.25 0.1 . 1 . . . . 85 SER CB . 16661 1 269 . 1 1 69 69 SER N N 15 117.12 0.1 . 1 . . . . 85 SER N . 16661 1 270 . 1 1 70 70 ASN H H 1 10.30 0.1 . 1 . . . . 86 ASN H . 16661 1 271 . 1 1 70 70 ASN CA C 13 52.36 0.1 . 1 . . . . 86 ASN CA . 16661 1 272 . 1 1 70 70 ASN CB C 13 40.70 0.1 . 1 . . . . 86 ASN CB . 16661 1 273 . 1 1 70 70 ASN N N 15 126.01 0.1 . 1 . . . . 86 ASN N . 16661 1 274 . 1 1 71 71 PHE H H 1 7.82 0.1 . 1 . . . . 87 PHE H . 16661 1 275 . 1 1 71 71 PHE CA C 13 62.27 0.1 . 1 . . . . 87 PHE CA . 16661 1 276 . 1 1 71 71 PHE CB C 13 38.65 0.1 . 1 . . . . 87 PHE CB . 16661 1 277 . 1 1 71 71 PHE N N 15 125.51 0.1 . 1 . . . . 87 PHE N . 16661 1 278 . 1 1 72 72 THR H H 1 8.52 0.1 . 1 . . . . 88 THR H . 16661 1 279 . 1 1 72 72 THR CA C 13 64.12 0.1 . 1 . . . . 88 THR CA . 16661 1 280 . 1 1 72 72 THR CB C 13 69.38 0.1 . 1 . . . . 88 THR CB . 16661 1 281 . 1 1 72 72 THR N N 15 110.37 0.1 . 1 . . . . 88 THR N . 16661 1 282 . 1 1 73 73 LYS H H 1 8.39 0.1 . 1 . . . . 89 LYS H . 16661 1 283 . 1 1 73 73 LYS CA C 13 58.79 0.1 . 1 . . . . 89 LYS CA . 16661 1 284 . 1 1 73 73 LYS CB C 13 33.41 0.1 . 1 . . . . 89 LYS CB . 16661 1 285 . 1 1 73 73 LYS N N 15 121.12 0.1 . 1 . . . . 89 LYS N . 16661 1 286 . 1 1 74 74 ASP H H 1 8.19 0.1 . 1 . . . . 90 ASP H . 16661 1 287 . 1 1 74 74 ASP CA C 13 56.02 0.1 . 1 . . . . 90 ASP CA . 16661 1 288 . 1 1 74 74 ASP CB C 13 42.47 0.1 . 1 . . . . 90 ASP CB . 16661 1 289 . 1 1 74 74 ASP N N 15 113.33 0.1 . 1 . . . . 90 ASP N . 16661 1 290 . 1 1 75 75 LEU H H 1 7.00 0.1 . 1 . . . . 91 LEU H . 16661 1 291 . 1 1 75 75 LEU CA C 13 54.06 0.1 . 1 . . . . 91 LEU CA . 16661 1 292 . 1 1 75 75 LEU CB C 13 42.20 0.1 . 1 . . . . 91 LEU CB . 16661 1 293 . 1 1 75 75 LEU N N 15 114.37 0.1 . 1 . . . . 91 LEU N . 16661 1 294 . 1 1 76 76 GLY H H 1 7.32 0.1 . 1 . . . . 92 GLY H . 16661 1 295 . 1 1 76 76 GLY CA C 13 46.61 0.1 . 1 . . . . 92 GLY CA . 16661 1 296 . 1 1 76 76 GLY N N 15 105.76 0.1 . 1 . . . . 92 GLY N . 16661 1 297 . 1 1 77 77 ALA H H 1 8.32 0.1 . 1 . . . . 93 ALA H . 16661 1 298 . 1 1 77 77 ALA CA C 13 52.22 0.1 . 1 . . . . 93 ALA CA . 16661 1 299 . 1 1 77 77 ALA CB C 13 19.71 0.1 . 1 . . . . 93 ALA CB . 16661 1 300 . 1 1 77 77 ALA N N 15 122.55 0.1 . 1 . . . . 93 ALA N . 16661 1 301 . 1 1 78 78 ASP H H 1 9.31 0.1 . 1 . . . . 94 ASP H . 16661 1 302 . 1 1 78 78 ASP CA C 13 51.84 0.1 . 1 . . . . 94 ASP CA . 16661 1 303 . 1 1 78 78 ASP CB C 13 41.74 0.1 . 1 . . . . 94 ASP CB . 16661 1 304 . 1 1 78 78 ASP N N 15 123.43 0.1 . 1 . . . . 94 ASP N . 16661 1 305 . 1 1 79 79 SER H H 1 8.64 0.1 . 1 . . . . 95 SER H . 16661 1 306 . 1 1 79 79 SER CA C 13 60.86 0.1 . 1 . . . . 95 SER CA . 16661 1 307 . 1 1 79 79 SER CB C 13 65.55 0.1 . 1 . . . . 95 SER CB . 16661 1 308 . 1 1 79 79 SER N N 15 111.77 0.1 . 1 . . . . 95 SER N . 16661 1 309 . 1 1 80 80 LEU H H 1 7.82 0.1 . 1 . . . . 96 LEU H . 16661 1 310 . 1 1 80 80 LEU CA C 13 57.81 0.1 . 1 . . . . 96 LEU CA . 16661 1 311 . 1 1 80 80 LEU CB C 13 40.75 0.1 . 1 . . . . 96 LEU CB . 16661 1 312 . 1 1 80 80 LEU N N 15 124.16 0.1 . 1 . . . . 96 LEU N . 16661 1 313 . 1 1 81 81 ASP H H 1 8.42 0.1 . 1 . . . . 97 ASP H . 16661 1 314 . 1 1 81 81 ASP CA C 13 57.33 0.1 . 1 . . . . 97 ASP CA . 16661 1 315 . 1 1 81 81 ASP CB C 13 41.52 0.1 . 1 . . . . 97 ASP CB . 16661 1 316 . 1 1 81 81 ASP N N 15 119.94 0.1 . 1 . . . . 97 ASP N . 16661 1 317 . 1 1 82 82 LEU H H 1 7.94 0.1 . 1 . . . . 98 LEU H . 16661 1 318 . 1 1 82 82 LEU CA C 13 58.04 0.1 . 1 . . . . 98 LEU CA . 16661 1 319 . 1 1 82 82 LEU CB C 13 41.00 0.1 . 1 . . . . 98 LEU CB . 16661 1 320 . 1 1 82 82 LEU N N 15 117.79 0.1 . 1 . . . . 98 LEU N . 16661 1 321 . 1 1 83 83 VAL H H 1 7.32 0.1 . 1 . . . . 99 VAL H . 16661 1 322 . 1 1 83 83 VAL CA C 13 66.73 0.1 . 1 . . . . 99 VAL CA . 16661 1 323 . 1 1 83 83 VAL CB C 13 31.79 0.1 . 1 . . . . 99 VAL CB . 16661 1 324 . 1 1 83 83 VAL N N 15 118.68 0.1 . 1 . . . . 99 VAL N . 16661 1 325 . 1 1 84 84 GLU H H 1 7.84 0.1 . 1 . . . . 100 GLU H . 16661 1 326 . 1 1 84 84 GLU CA C 13 59.56 0.1 . 1 . . . . 100 GLU CA . 16661 1 327 . 1 1 84 84 GLU CB C 13 28.70 0.1 . 1 . . . . 100 GLU CB . 16661 1 328 . 1 1 84 84 GLU N N 15 118.61 0.1 . 1 . . . . 100 GLU N . 16661 1 329 . 1 1 85 85 LEU H H 1 8.64 0.1 . 1 . . . . 101 LEU H . 16661 1 330 . 1 1 85 85 LEU CA C 13 58.25 0.1 . 1 . . . . 101 LEU CA . 16661 1 331 . 1 1 85 85 LEU CB C 13 41.93 0.1 . 1 . . . . 101 LEU CB . 16661 1 332 . 1 1 85 85 LEU N N 15 122.69 0.1 . 1 . . . . 101 LEU N . 16661 1 333 . 1 1 86 86 ILE H H 1 8.22 0.1 . 1 . . . . 102 ILE H . 16661 1 334 . 1 1 86 86 ILE CA C 13 64.50 0.1 . 1 . . . . 102 ILE CA . 16661 1 335 . 1 1 86 86 ILE CB C 13 35.81 0.1 . 1 . . . . 102 ILE CB . 16661 1 336 . 1 1 86 86 ILE N N 15 119.72 0.1 . 1 . . . . 102 ILE N . 16661 1 337 . 1 1 87 87 MET H H 1 7.82 0.1 . 1 . . . . 103 MET H . 16661 1 338 . 1 1 87 87 MET CA C 13 59.43 0.1 . 1 . . . . 103 MET CA . 16661 1 339 . 1 1 87 87 MET CB C 13 33.04 0.1 . 1 . . . . 103 MET CB . 16661 1 340 . 1 1 87 87 MET N N 15 117.56 0.1 . 1 . . . . 103 MET N . 16661 1 341 . 1 1 88 88 ALA H H 1 7.96 0.1 . 1 . . . . 104 ALA H . 16661 1 342 . 1 1 88 88 ALA CA C 13 55.00 0.1 . 1 . . . . 104 ALA CA . 16661 1 343 . 1 1 88 88 ALA CB C 13 18.62 0.1 . 1 . . . . 104 ALA CB . 16661 1 344 . 1 1 88 88 ALA N N 15 122.01 0.1 . 1 . . . . 104 ALA N . 16661 1 345 . 1 1 89 89 LEU H H 1 8.52 0.1 . 1 . . . . 105 LEU H . 16661 1 346 . 1 1 89 89 LEU CA C 13 58.25 0.1 . 1 . . . . 105 LEU CA . 16661 1 347 . 1 1 89 89 LEU CB C 13 41.75 0.1 . 1 . . . . 105 LEU CB . 16661 1 348 . 1 1 89 89 LEU N N 15 119.87 0.1 . 1 . . . . 105 LEU N . 16661 1 349 . 1 1 90 90 GLU H H 1 8.47 0.1 . 1 . . . . 106 GLU H . 16661 1 350 . 1 1 90 90 GLU CA C 13 60.06 0.1 . 1 . . . . 106 GLU CA . 16661 1 351 . 1 1 90 90 GLU CB C 13 30.07 0.1 . 1 . . . . 106 GLU CB . 16661 1 352 . 1 1 90 90 GLU N N 15 118.54 0.1 . 1 . . . . 106 GLU N . 16661 1 353 . 1 1 91 91 GLU H H 1 7.84 0.1 . 1 . . . . 107 GLU H . 16661 1 354 . 1 1 91 91 GLU CA C 13 58.68 0.1 . 1 . . . . 107 GLU CA . 16661 1 355 . 1 1 91 91 GLU CB C 13 30.04 0.1 . 1 . . . . 107 GLU CB . 16661 1 356 . 1 1 91 91 GLU N N 15 116.83 0.1 . 1 . . . . 107 GLU N . 16661 1 357 . 1 1 92 92 LYS H H 1 8.00 0.1 . 1 . . . . 108 LYS H . 16661 1 358 . 1 1 92 92 LYS CA C 13 57.50 0.1 . 1 . . . . 108 LYS CA . 16661 1 359 . 1 1 92 92 LYS CB C 13 32.15 0.1 . 1 . . . . 108 LYS CB . 16661 1 360 . 1 1 92 92 LYS N N 15 117.72 0.1 . 1 . . . . 108 LYS N . 16661 1 361 . 1 1 93 93 PHE H H 1 8.03 0.1 . 1 . . . . 109 PHE H . 16661 1 362 . 1 1 93 93 PHE CA C 13 58.50 0.1 . 1 . . . . 109 PHE CA . 16661 1 363 . 1 1 93 93 PHE CB C 13 39.22 0.1 . 1 . . . . 109 PHE CB . 16661 1 364 . 1 1 93 93 PHE N N 15 112.16 0.1 . 1 . . . . 109 PHE N . 16661 1 365 . 1 1 94 94 ASN H H 1 7.84 0.1 . 1 . . . . 110 ASN H . 16661 1 366 . 1 1 94 94 ASN CA C 13 54.45 0.1 . 1 . . . . 110 ASN CA . 16661 1 367 . 1 1 94 94 ASN CB C 13 37.00 0.1 . 1 . . . . 110 ASN CB . 16661 1 368 . 1 1 94 94 ASN N N 15 118.16 0.1 . 1 . . . . 110 ASN N . 16661 1 369 . 1 1 95 95 VAL H H 1 7.59 0.1 . 1 . . . . 111 VAL H . 16661 1 370 . 1 1 95 95 VAL CA C 13 58.72 0.1 . 1 . . . . 111 VAL CA . 16661 1 371 . 1 1 95 95 VAL CB C 13 35.58 0.1 . 1 . . . . 111 VAL CB . 16661 1 372 . 1 1 95 95 VAL N N 15 109.62 0.1 . 1 . . . . 111 VAL N . 16661 1 373 . 1 1 96 96 THR H H 1 8.47 0.1 . 1 . . . . 112 THR H . 16661 1 374 . 1 1 96 96 THR CA C 13 61.52 0.1 . 1 . . . . 112 THR CA . 16661 1 375 . 1 1 96 96 THR CB C 13 70.36 0.1 . 1 . . . . 112 THR CB . 16661 1 376 . 1 1 96 96 THR N N 15 117.05 0.1 . 1 . . . . 112 THR N . 16661 1 377 . 1 1 97 97 ILE H H 1 9.61 0.1 . 1 . . . . 113 ILE H . 16661 1 378 . 1 1 97 97 ILE CA C 13 60.77 0.1 . 1 . . . . 113 ILE CA . 16661 1 379 . 1 1 97 97 ILE CB C 13 38.22 0.1 . 1 . . . . 113 ILE CB . 16661 1 380 . 1 1 97 97 ILE N N 15 129.49 0.1 . 1 . . . . 113 ILE N . 16661 1 381 . 1 1 98 98 SER H H 1 9.10 0.1 . 1 . . . . 114 SER H . 16661 1 382 . 1 1 98 98 SER CA C 13 57.86 0.1 . 1 . . . . 114 SER CA . 16661 1 383 . 1 1 98 98 SER CB C 13 64.90 0.1 . 1 . . . . 114 SER CB . 16661 1 384 . 1 1 98 98 SER N N 15 125.20 0.1 . 1 . . . . 114 SER N . 16661 1 385 . 1 1 99 99 ASP H H 1 8.89 0.1 . 1 . . . . 115 ASP H . 16661 1 386 . 1 1 99 99 ASP CA C 13 57.77 0.1 . 1 . . . . 115 ASP CA . 16661 1 387 . 1 1 99 99 ASP CB C 13 39.59 0.1 . 1 . . . . 115 ASP CB . 16661 1 388 . 1 1 99 99 ASP N N 15 121.50 0.1 . 1 . . . . 115 ASP N . 16661 1 389 . 1 1 100 100 GLN H H 1 8.17 0.1 . 1 . . . . 116 GLN H . 16661 1 390 . 1 1 100 100 GLN CA C 13 58.79 0.1 . 1 . . . . 116 GLN CA . 16661 1 391 . 1 1 100 100 GLN CB C 13 28.36 0.1 . 1 . . . . 116 GLN CB . 16661 1 392 . 1 1 100 100 GLN N N 15 116.61 0.1 . 1 . . . . 116 GLN N . 16661 1 393 . 1 1 101 101 ASP H H 1 7.73 0.1 . 1 . . . . 117 ASP H . 16661 1 394 . 1 1 101 101 ASP CA C 13 56.93 0.1 . 1 . . . . 117 ASP CA . 16661 1 395 . 1 1 101 101 ASP CB C 13 40.27 0.1 . 1 . . . . 117 ASP CB . 16661 1 396 . 1 1 101 101 ASP N N 15 120.69 0.1 . 1 . . . . 117 ASP N . 16661 1 397 . 1 1 102 102 ALA H H 1 8.50 0.1 . 1 . . . . 118 ALA H . 16661 1 398 . 1 1 102 102 ALA CA C 13 55.20 0.1 . 1 . . . . 118 ALA CA . 16661 1 399 . 1 1 102 102 ALA CB C 13 18.14 0.1 . 1 . . . . 118 ALA CB . 16661 1 400 . 1 1 102 102 ALA N N 15 122.47 0.1 . 1 . . . . 118 ALA N . 16661 1 401 . 1 1 103 103 LEU H H 1 7.03 0.1 . 1 . . . . 119 LEU H . 16661 1 402 . 1 1 103 103 LEU CA C 13 56.52 0.1 . 1 . . . . 119 LEU CA . 16661 1 403 . 1 1 103 103 LEU CB C 13 42.22 0.1 . 1 . . . . 119 LEU CB . 16661 1 404 . 1 1 103 103 LEU N N 15 114.59 0.1 . 1 . . . . 119 LEU N . 16661 1 405 . 1 1 104 104 LYS H H 1 7.25 0.1 . 1 . . . . 120 LYS H . 16661 1 406 . 1 1 104 104 LYS CA C 13 55.54 0.1 . 1 . . . . 120 LYS CA . 16661 1 407 . 1 1 104 104 LYS CB C 13 32.43 0.1 . 1 . . . . 120 LYS CB . 16661 1 408 . 1 1 104 104 LYS N N 15 115.26 0.1 . 1 . . . . 120 LYS N . 16661 1 409 . 1 1 105 105 ILE H H 1 7.28 0.1 . 1 . . . . 121 ILE H . 16661 1 410 . 1 1 105 105 ILE CA C 13 61.02 0.1 . 1 . . . . 121 ILE CA . 16661 1 411 . 1 1 105 105 ILE CB C 13 36.63 0.1 . 1 . . . . 121 ILE CB . 16661 1 412 . 1 1 105 105 ILE N N 15 121.43 0.1 . 1 . . . . 121 ILE N . 16661 1 413 . 1 1 106 106 ASN H H 1 9.09 0.1 . 1 . . . . 122 ASN H . 16661 1 414 . 1 1 106 106 ASN CA C 13 54.50 0.1 . 1 . . . . 122 ASN CA . 16661 1 415 . 1 1 106 106 ASN CB C 13 41.77 0.1 . 1 . . . . 122 ASN CB . 16661 1 416 . 1 1 106 106 ASN N N 15 123.51 0.1 . 1 . . . . 122 ASN N . 16661 1 417 . 1 1 107 107 THR H H 1 8.32 0.1 . 1 . . . . 123 THR H . 16661 1 418 . 1 1 107 107 THR CA C 13 58.20 0.1 . 1 . . . . 123 THR CA . 16661 1 419 . 1 1 107 107 THR CB C 13 73.69 0.1 . 1 . . . . 123 THR CB . 16661 1 420 . 1 1 107 107 THR N N 15 110.59 0.1 . 1 . . . . 123 THR N . 16661 1 421 . 1 1 108 108 VAL H H 1 7.73 0.1 . 1 . . . . 124 VAL H . 16661 1 422 . 1 1 108 108 VAL CA C 13 67.55 0.1 . 1 . . . . 124 VAL CA . 16661 1 423 . 1 1 108 108 VAL CB C 13 30.52 0.1 . 1 . . . . 124 VAL CB . 16661 1 424 . 1 1 108 108 VAL N N 15 120.76 0.1 . 1 . . . . 124 VAL N . 16661 1 425 . 1 1 109 109 GLN H H 1 8.56 0.1 . 1 . . . . 125 GLN H . 16661 1 426 . 1 1 109 109 GLN CA C 13 58.97 0.1 . 1 . . . . 125 GLN CA . 16661 1 427 . 1 1 109 109 GLN CB C 13 28.29 0.1 . 1 . . . . 125 GLN CB . 16661 1 428 . 1 1 109 109 GLN N N 15 119.87 0.1 . 1 . . . . 125 GLN N . 16661 1 429 . 1 1 110 110 ASP H H 1 7.80 0.1 . 1 . . . . 126 ASP H . 16661 1 430 . 1 1 110 110 ASP CA C 13 57.34 0.1 . 1 . . . . 126 ASP CA . 16661 1 431 . 1 1 110 110 ASP CB C 13 41.72 0.1 . 1 . . . . 126 ASP CB . 16661 1 432 . 1 1 110 110 ASP N N 15 118.61 0.1 . 1 . . . . 126 ASP N . 16661 1 433 . 1 1 111 111 ALA H H 1 7.94 0.1 . 1 . . . . 127 ALA H . 16661 1 434 . 1 1 111 111 ALA CA C 13 55.54 0.1 . 1 . . . . 127 ALA CA . 16661 1 435 . 1 1 111 111 ALA CB C 13 17.84 0.1 . 1 . . . . 127 ALA CB . 16661 1 436 . 1 1 111 111 ALA N N 15 123.43 0.1 . 1 . . . . 127 ALA N . 16661 1 437 . 1 1 112 112 ILE H H 1 8.39 0.1 . 1 . . . . 128 ILE H . 16661 1 438 . 1 1 112 112 ILE CA C 13 66.00 0.1 . 1 . . . . 128 ILE CA . 16661 1 439 . 1 1 112 112 ILE CB C 13 37.63 0.1 . 1 . . . . 128 ILE CB . 16661 1 440 . 1 1 112 112 ILE N N 15 119.12 0.1 . 1 . . . . 128 ILE N . 16661 1 441 . 1 1 113 113 ASP H H 1 8.82 0.1 . 1 . . . . 129 ASP H . 16661 1 442 . 1 1 113 113 ASP CA C 13 57.34 0.1 . 1 . . . . 129 ASP CA . 16661 1 443 . 1 1 113 113 ASP CB C 13 40.20 0.1 . 1 . . . . 129 ASP CB . 16661 1 444 . 1 1 113 113 ASP N N 15 119.19 0.1 . 1 . . . . 129 ASP N . 16661 1 445 . 1 1 114 114 TYR H H 1 7.88 0.1 . 1 . . . . 130 TYR H . 16661 1 446 . 1 1 114 114 TYR CA C 13 62.61 0.1 . 1 . . . . 130 TYR CA . 16661 1 447 . 1 1 114 114 TYR CB C 13 38.61 0.1 . 1 . . . . 130 TYR CB . 16661 1 448 . 1 1 114 114 TYR N N 15 119.65 0.1 . 1 . . . . 130 TYR N . 16661 1 449 . 1 1 115 115 ILE H H 1 8.22 0.1 . 1 . . . . 131 ILE H . 16661 1 450 . 1 1 115 115 ILE CA C 13 64.40 0.1 . 1 . . . . 131 ILE CA . 16661 1 451 . 1 1 115 115 ILE CB C 13 37.11 0.1 . 1 . . . . 131 ILE CB . 16661 1 452 . 1 1 115 115 ILE N N 15 120.54 0.1 . 1 . . . . 131 ILE N . 16661 1 453 . 1 1 116 116 GLU H H 1 8.65 0.1 . 1 . . . . 132 GLU H . 16661 1 454 . 1 1 116 116 GLU CA C 13 58.91 0.1 . 1 . . . . 132 GLU CA . 16661 1 455 . 1 1 116 116 GLU CB C 13 29.29 0.1 . 1 . . . . 132 GLU CB . 16661 1 456 . 1 1 116 116 GLU N N 15 117.87 0.1 . 1 . . . . 132 GLU N . 16661 1 457 . 1 1 117 117 LYS H H 1 7.65 0.1 . 1 . . . . 133 LYS H . 16661 1 458 . 1 1 117 117 LYS CA C 13 58.09 0.1 . 1 . . . . 133 LYS CA . 16661 1 459 . 1 1 117 117 LYS CB C 13 32.68 0.1 . 1 . . . . 133 LYS CB . 16661 1 460 . 1 1 117 117 LYS N N 15 117.19 0.1 . 1 . . . . 133 LYS N . 16661 1 461 . 1 1 118 118 ASN H H 1 7.55 0.1 . 1 . . . . 134 ASN H . 16661 1 462 . 1 1 118 118 ASN CA C 13 54.45 0.1 . 1 . . . . 134 ASN CA . 16661 1 463 . 1 1 118 118 ASN CB C 13 39.86 0.1 . 1 . . . . 134 ASN CB . 16661 1 464 . 1 1 118 118 ASN N N 15 116.08 0.1 . 1 . . . . 134 ASN N . 16661 1 465 . 1 1 119 119 ASN H H 1 8.02 0.1 . 1 . . . . 135 ASN H . 16661 1 466 . 1 1 119 119 ASN CA C 13 53.58 0.1 . 1 . . . . 135 ASN CA . 16661 1 467 . 1 1 119 119 ASN CB C 13 38.72 0.1 . 1 . . . . 135 ASN CB . 16661 1 468 . 1 1 119 119 ASN N N 15 119.12 0.1 . 1 . . . . 135 ASN N . 16661 1 469 . 1 1 120 120 LYS H H 1 8.11 0.1 . 1 . . . . 136 LYS H . 16661 1 470 . 1 1 120 120 LYS CA C 13 56.18 0.1 . 1 . . . . 136 LYS CA . 16661 1 471 . 1 1 120 120 LYS CB C 13 32.84 0.1 . 1 . . . . 136 LYS CB . 16661 1 472 . 1 1 120 120 LYS N N 15 122.23 0.1 . 1 . . . . 136 LYS N . 16661 1 473 . 1 1 121 121 GLN H H 1 8.01 0.1 . 1 . . . . 137 GLN H . 16661 1 474 . 1 1 121 121 GLN CA C 13 57.50 0.1 . 1 . . . . 137 GLN CA . 16661 1 475 . 1 1 121 121 GLN CB C 13 30.29 0.1 . 1 . . . . 137 GLN CB . 16661 1 476 . 1 1 121 121 GLN N N 15 126.47 0.1 . 1 . . . . 137 GLN N . 16661 1 stop_ save_