################################### # 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 16741 _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' . . . 16741 1 2 '3D HNCACB' . . . 16741 1 3 '3D HNCO' . . . 16741 1 4 '3D C(CO)NH' . . . 16741 1 5 '3D HN(CA)CO' . . . 16741 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 ASP H H 1 8.38 . . . . . . . 1 ASP H . 16741 1 2 . 1 1 2 2 ASP C C 13 173.17 . . . . . . . 1 ASP C . 16741 1 3 . 1 1 2 2 ASP CA C 13 57.21 . . . . . . . 1 ASP CA . 16741 1 4 . 1 1 2 2 ASP CB C 13 41.03 . . . . . . . 1 ASP CB . 16741 1 5 . 1 1 2 2 ASP N N 15 121.32 . . . . . . . 1 ASP N . 16741 1 6 . 1 1 3 3 LYS H H 1 7.97 . . . . . . . 2 LYS H . 16741 1 7 . 1 1 3 3 LYS C C 13 175.52 . . . . . . . 2 LYS C . 16741 1 8 . 1 1 3 3 LYS CA C 13 55.75 . . . . . . . 2 LYS CA . 16741 1 9 . 1 1 3 3 LYS CB C 13 33.2 . . . . . . . 2 LYS CB . 16741 1 10 . 1 1 3 3 LYS N N 15 113.36 . . . . . . . 2 LYS N . 16741 1 11 . 1 1 4 4 ALA H H 1 6.8 . . . . . . . 3 ALA H . 16741 1 12 . 1 1 4 4 ALA C C 13 174.64 . . . . . . . 3 ALA C . 16741 1 13 . 1 1 4 4 ALA CA C 13 51.12 . . . . . . . 3 ALA CA . 16741 1 14 . 1 1 4 4 ALA CB C 13 22.84 . . . . . . . 3 ALA CB . 16741 1 15 . 1 1 4 4 ALA N N 15 116.19 . . . . . . . 3 ALA N . 16741 1 16 . 1 1 5 5 THR H H 1 8.92 . . . . . . . 4 THR H . 16741 1 17 . 1 1 5 5 THR C C 13 177.94 . . . . . . . 4 THR C . 16741 1 18 . 1 1 5 5 THR CA C 13 60.25 . . . . . . . 4 THR CA . 16741 1 19 . 1 1 5 5 THR CB C 13 70.71 . . . . . . . 4 THR CB . 16741 1 20 . 1 1 5 5 THR N N 15 113.6 . . . . . . . 4 THR N . 16741 1 21 . 1 1 6 6 ILE H H 1 8.25 . . . . . . . 5 ILE H . 16741 1 22 . 1 1 6 6 ILE C C 13 174.95 . . . . . . . 5 ILE C . 16741 1 23 . 1 1 6 6 ILE CA C 13 59.15 . . . . . . . 5 ILE CA . 16741 1 24 . 1 1 6 6 ILE CB C 13 39.85 . . . . . . . 5 ILE CB . 16741 1 25 . 1 1 6 6 ILE N N 15 122.47 . . . . . . . 5 ILE N . 16741 1 26 . 1 1 7 7 PRO C C 13 173.43 . . . . . . . 6 PRO C . 16741 1 27 . 1 1 7 7 PRO CA C 13 60.89 . . . . . . . 6 PRO CA . 16741 1 28 . 1 1 7 7 PRO CB C 13 32.37 . . . . . . . 6 PRO CB . 16741 1 29 . 1 1 8 8 SER H H 1 7.69 . . . . . . . 7 SER H . 16741 1 30 . 1 1 8 8 SER C C 13 175.92 . . . . . . . 7 SER C . 16741 1 31 . 1 1 8 8 SER CA C 13 56.17 . . . . . . . 7 SER CA . 16741 1 32 . 1 1 8 8 SER CB C 13 64.27 . . . . . . . 7 SER CB . 16741 1 33 . 1 1 8 8 SER N N 15 109.32 . . . . . . . 7 SER N . 16741 1 34 . 1 1 9 9 GLU H H 1 9.04 . . . . . . . 8 GLU H . 16741 1 35 . 1 1 9 9 GLU C C 13 172.82 . . . . . . . 8 GLU C . 16741 1 36 . 1 1 9 9 GLU CA C 13 59.27 . . . . . . . 8 GLU CA . 16741 1 37 . 1 1 9 9 GLU CB C 13 29.84 . . . . . . . 8 GLU CB . 16741 1 38 . 1 1 9 9 GLU N N 15 127.81 . . . . . . . 8 GLU N . 16741 1 39 . 1 1 10 10 SER H H 1 7.86 . . . . . . . 9 SER H . 16741 1 40 . 1 1 10 10 SER C C 13 178.85 . . . . . . . 9 SER C . 16741 1 41 . 1 1 10 10 SER CA C 13 55.69 . . . . . . . 9 SER CA . 16741 1 42 . 1 1 10 10 SER CB C 13 63.5 . . . . . . . 9 SER CB . 16741 1 43 . 1 1 10 10 SER N N 15 111.98 . . . . . . . 9 SER N . 16741 1 44 . 1 1 11 11 PRO C C 13 174.99 . . . . . . . 10 PRO C . 16741 1 45 . 1 1 11 11 PRO CA C 13 63.07 . . . . . . . 10 PRO CA . 16741 1 46 . 1 1 11 11 PRO CB C 13 32.75 . . . . . . . 10 PRO CB . 16741 1 47 . 1 1 12 12 PHE H H 1 8.55 . . . . . . . 11 PHE H . 16741 1 48 . 1 1 12 12 PHE C C 13 176.56 . . . . . . . 11 PHE C . 16741 1 49 . 1 1 12 12 PHE CA C 13 54.25 . . . . . . . 11 PHE CA . 16741 1 50 . 1 1 12 12 PHE CB C 13 41.43 . . . . . . . 11 PHE CB . 16741 1 51 . 1 1 12 12 PHE N N 15 119.93 . . . . . . . 11 PHE N . 16741 1 52 . 1 1 13 13 ALA H H 1 8.62 . . . . . . . 12 ALA H . 16741 1 53 . 1 1 13 13 ALA C C 13 171.83 . . . . . . . 12 ALA C . 16741 1 54 . 1 1 13 13 ALA CA C 13 53.26 . . . . . . . 12 ALA CA . 16741 1 55 . 1 1 13 13 ALA CB C 13 18.75 . . . . . . . 12 ALA CB . 16741 1 56 . 1 1 13 13 ALA N N 15 122.42 . . . . . . . 12 ALA N . 16741 1 57 . 1 1 14 14 ALA H H 1 8.19 . . . . . . . 13 ALA H . 16741 1 58 . 1 1 14 14 ALA C C 13 170.95 . . . . . . . 13 ALA C . 16741 1 59 . 1 1 14 14 ALA CA C 13 54.74 . . . . . . . 13 ALA CA . 16741 1 60 . 1 1 14 14 ALA N N 15 123.64 . . . . . . . 13 ALA N . 16741 1 61 . 1 1 15 15 ALA H H 1 8.29 . . . . . . . 14 ALA H . 16741 1 62 . 1 1 15 15 ALA C C 13 171.92 . . . . . . . 14 ALA C . 16741 1 63 . 1 1 15 15 ALA CA C 13 53.99 . . . . . . . 14 ALA CA . 16741 1 64 . 1 1 15 15 ALA CB C 13 18.79 . . . . . . . 14 ALA CB . 16741 1 65 . 1 1 15 15 ALA N N 15 117.75 . . . . . . . 14 ALA N . 16741 1 66 . 1 1 16 16 GLU H H 1 7.9 . . . . . . . 15 GLU H . 16741 1 67 . 1 1 16 16 GLU C C 13 173.73 . . . . . . . 15 GLU C . 16741 1 68 . 1 1 16 16 GLU CA C 13 56.35 . . . . . . . 15 GLU CA . 16741 1 69 . 1 1 16 16 GLU CB C 13 29.73 . . . . . . . 15 GLU CB . 16741 1 70 . 1 1 16 16 GLU N N 15 114.74 . . . . . . . 15 GLU N . 16741 1 71 . 1 1 17 17 VAL H H 1 7.41 . . . . . . . 16 VAL H . 16741 1 72 . 1 1 17 17 VAL C C 13 174.82 . . . . . . . 16 VAL C . 16741 1 73 . 1 1 17 17 VAL CA C 13 63.64 . . . . . . . 16 VAL CA . 16741 1 74 . 1 1 17 17 VAL CB C 13 31.67 . . . . . . . 16 VAL CB . 16741 1 75 . 1 1 17 17 VAL N N 15 121.73 . . . . . . . 16 VAL N . 16741 1 76 . 1 1 18 18 ALA H H 1 8.6 . . . . . . . 17 ALA H . 16741 1 77 . 1 1 18 18 ALA C C 13 172.24 . . . . . . . 17 ALA C . 16741 1 78 . 1 1 18 18 ALA CA C 13 52.15 . . . . . . . 17 ALA CA . 16741 1 79 . 1 1 18 18 ALA CB C 13 19.49 . . . . . . . 17 ALA CB . 16741 1 80 . 1 1 18 18 ALA N N 15 131.95 . . . . . . . 17 ALA N . 16741 1 81 . 1 1 19 19 ASP H H 1 8.4 . . . . . . . 18 ASP H . 16741 1 82 . 1 1 19 19 ASP C C 13 172.62 . . . . . . . 18 ASP C . 16741 1 83 . 1 1 19 19 ASP CA C 13 56.09 . . . . . . . 18 ASP CA . 16741 1 84 . 1 1 19 19 ASP CB C 13 40.66 . . . . . . . 18 ASP CB . 16741 1 85 . 1 1 19 19 ASP N N 15 120.99 . . . . . . . 18 ASP N . 16741 1 86 . 1 1 20 20 GLY H H 1 8.59 . . . . . . . 19 GLY H . 16741 1 87 . 1 1 20 20 GLY C C 13 174.98 . . . . . . . 19 GLY C . 16741 1 88 . 1 1 20 20 GLY CA C 13 45.14 . . . . . . . 19 GLY CA . 16741 1 89 . 1 1 20 20 GLY N N 15 112.25 . . . . . . . 19 GLY N . 16741 1 90 . 1 1 21 21 ALA H H 1 7.27 . . . . . . . 20 ALA H . 16741 1 91 . 1 1 21 21 ALA C C 13 173.27 . . . . . . . 20 ALA C . 16741 1 92 . 1 1 21 21 ALA CA C 13 52.5 . . . . . . . 20 ALA CA . 16741 1 93 . 1 1 21 21 ALA CB C 13 19.55 . . . . . . . 20 ALA CB . 16741 1 94 . 1 1 21 21 ALA N N 15 122.79 . . . . . . . 20 ALA N . 16741 1 95 . 1 1 22 22 ILE H H 1 8.43 . . . . . . . 21 ILE H . 16741 1 96 . 1 1 22 22 ILE C C 13 174.9 . . . . . . . 21 ILE C . 16741 1 97 . 1 1 22 22 ILE CA C 13 62.55 . . . . . . . 21 ILE CA . 16741 1 98 . 1 1 22 22 ILE CB C 13 37.37 . . . . . . . 21 ILE CB . 16741 1 99 . 1 1 22 22 ILE N N 15 123.43 . . . . . . . 21 ILE N . 16741 1 100 . 1 1 23 23 VAL H H 1 8.05 . . . . . . . 22 VAL H . 16741 1 101 . 1 1 23 23 VAL C C 13 174.01 . . . . . . . 22 VAL C . 16741 1 102 . 1 1 23 23 VAL CA C 13 60.4 . . . . . . . 22 VAL CA . 16741 1 103 . 1 1 23 23 VAL CB C 13 35.96 . . . . . . . 22 VAL CB . 16741 1 104 . 1 1 23 23 VAL N N 15 129.18 . . . . . . . 22 VAL N . 16741 1 105 . 1 1 24 24 VAL H H 1 8.71 . . . . . . . 23 VAL H . 16741 1 106 . 1 1 24 24 VAL C C 13 175.65 . . . . . . . 23 VAL C . 16741 1 107 . 1 1 24 24 VAL CA C 13 61.39 . . . . . . . 23 VAL CA . 16741 1 108 . 1 1 24 24 VAL CB C 13 32.91 . . . . . . . 23 VAL CB . 16741 1 109 . 1 1 24 24 VAL N N 15 127.95 . . . . . . . 23 VAL N . 16741 1 110 . 1 1 25 25 ASP H H 1 8.55 . . . . . . . 24 ASP H . 16741 1 111 . 1 1 25 25 ASP C C 13 174.51 . . . . . . . 24 ASP C . 16741 1 112 . 1 1 25 25 ASP CA C 13 55.12 . . . . . . . 24 ASP CA . 16741 1 113 . 1 1 25 25 ASP CB C 13 43.28 . . . . . . . 24 ASP CB . 16741 1 114 . 1 1 25 25 ASP N N 15 127.15 . . . . . . . 24 ASP N . 16741 1 115 . 1 1 26 26 ILE H H 1 8.52 . . . . . . . 25 ILE H . 16741 1 116 . 1 1 26 26 ILE C C 13 175.91 . . . . . . . 25 ILE C . 16741 1 117 . 1 1 26 26 ILE CA C 13 60.61 . . . . . . . 25 ILE CA . 16741 1 118 . 1 1 26 26 ILE CB C 13 39.06 . . . . . . . 25 ILE CB . 16741 1 119 . 1 1 26 26 ILE N N 15 120.13 . . . . . . . 25 ILE N . 16741 1 120 . 1 1 27 27 ALA H H 1 8.17 . . . . . . . 26 ALA H . 16741 1 121 . 1 1 27 27 ALA C C 13 173.86 . . . . . . . 26 ALA C . 16741 1 122 . 1 1 27 27 ALA CA C 13 52.04 . . . . . . . 26 ALA CA . 16741 1 123 . 1 1 27 27 ALA CB C 13 22.15 . . . . . . . 26 ALA CB . 16741 1 124 . 1 1 27 27 ALA N N 15 124.17 . . . . . . . 26 ALA N . 16741 1 125 . 1 1 28 28 LYS H H 1 9.03 . . . . . . . 27 LYS H . 16741 1 126 . 1 1 28 28 LYS C C 13 174.17 . . . . . . . 27 LYS C . 16741 1 127 . 1 1 28 28 LYS CA C 13 56.51 . . . . . . . 27 LYS CA . 16741 1 128 . 1 1 28 28 LYS CB C 13 29.31 . . . . . . . 27 LYS CB . 16741 1 129 . 1 1 28 28 LYS N N 15 119.62 . . . . . . . 27 LYS N . 16741 1 130 . 1 1 29 29 MET H H 1 8.96 . . . . . . . 28 MET H . 16741 1 131 . 1 1 29 29 MET C C 13 175.99 . . . . . . . 28 MET C . 16741 1 132 . 1 1 29 29 MET CA C 13 55.14 . . . . . . . 28 MET CA . 16741 1 133 . 1 1 29 29 MET CB C 13 28.17 . . . . . . . 28 MET CB . 16741 1 134 . 1 1 29 29 MET N N 15 108.89 . . . . . . . 28 MET N . 16741 1 135 . 1 1 30 30 LYS H H 1 7.2 . . . . . . . 29 LYS H . 16741 1 136 . 1 1 30 30 LYS C C 13 175.72 . . . . . . . 29 LYS C . 16741 1 137 . 1 1 30 30 LYS CA C 13 55.42 . . . . . . . 29 LYS CA . 16741 1 138 . 1 1 30 30 LYS CB C 13 35.83 . . . . . . . 29 LYS CB . 16741 1 139 . 1 1 30 30 LYS N N 15 113.48 . . . . . . . 29 LYS N . 16741 1 140 . 1 1 31 31 TYR H H 1 7.89 . . . . . . . 30 TYR H . 16741 1 141 . 1 1 31 31 TYR C C 13 172.69 . . . . . . . 30 TYR C . 16741 1 142 . 1 1 31 31 TYR CA C 13 57.61 . . . . . . . 30 TYR CA . 16741 1 143 . 1 1 31 31 TYR CB C 13 37.82 . . . . . . . 30 TYR CB . 16741 1 144 . 1 1 31 31 TYR N N 15 119.13 . . . . . . . 30 TYR N . 16741 1 145 . 1 1 32 32 GLU H H 1 9.25 . . . . . . . 31 GLU H . 16741 1 146 . 1 1 32 32 GLU C C 13 173.81 . . . . . . . 31 GLU C . 16741 1 147 . 1 1 32 32 GLU CA C 13 60.56 . . . . . . . 31 GLU CA . 16741 1 148 . 1 1 32 32 GLU CB C 13 29.99 . . . . . . . 31 GLU CB . 16741 1 149 . 1 1 32 32 GLU N N 15 123.17 . . . . . . . 31 GLU N . 16741 1 150 . 1 1 33 33 THR H H 1 6.22 . . . . . . . 32 THR H . 16741 1 151 . 1 1 33 33 THR CA C 13 58.83 . . . . . . . 32 THR CA . 16741 1 152 . 1 1 33 33 THR CB C 13 69.7 . . . . . . . 32 THR CB . 16741 1 153 . 1 1 33 33 THR N N 15 110.09 . . . . . . . 32 THR N . 16741 1 154 . 1 1 35 35 GLU H H 1 8.17 . . . . . . . 34 GLU H . 16741 1 155 . 1 1 35 35 GLU C C 13 177.33 . . . . . . . 34 GLU C . 16741 1 156 . 1 1 35 35 GLU CA C 13 56.01 . . . . . . . 34 GLU CA . 16741 1 157 . 1 1 35 35 GLU CB C 13 30.35 . . . . . . . 34 GLU CB . 16741 1 158 . 1 1 35 35 GLU N N 15 122.25 . . . . . . . 34 GLU N . 16741 1 159 . 1 1 36 36 LEU H H 1 7.67 . . . . . . . 35 LEU H . 16741 1 160 . 1 1 36 36 LEU C C 13 175.52 . . . . . . . 35 LEU C . 16741 1 161 . 1 1 36 36 LEU CA C 13 53.83 . . . . . . . 35 LEU CA . 16741 1 162 . 1 1 36 36 LEU CB C 13 45.84 . . . . . . . 35 LEU CB . 16741 1 163 . 1 1 36 36 LEU N N 15 128.51 . . . . . . . 35 LEU N . 16741 1 164 . 1 1 37 37 HIS H H 1 9.08 . . . . . . . 36 HIS H . 16741 1 165 . 1 1 37 37 HIS C C 13 176.11 . . . . . . . 36 HIS C . 16741 1 166 . 1 1 37 37 HIS CA C 13 54.71 . . . . . . . 36 HIS CA . 16741 1 167 . 1 1 37 37 HIS CB C 13 28.83 . . . . . . . 36 HIS CB . 16741 1 168 . 1 1 37 37 HIS N N 15 126.62 . . . . . . . 36 HIS N . 16741 1 169 . 1 1 38 38 VAL H H 1 9.05 . . . . . . . 37 VAL H . 16741 1 170 . 1 1 38 38 VAL C C 13 176.01 . . . . . . . 37 VAL C . 16741 1 171 . 1 1 38 38 VAL CA C 13 58.67 . . . . . . . 37 VAL CA . 16741 1 172 . 1 1 38 38 VAL CB C 13 34.09 . . . . . . . 37 VAL CB . 16741 1 173 . 1 1 38 38 VAL N N 15 117.05 . . . . . . . 37 VAL N . 16741 1 174 . 1 1 39 39 LYS H H 1 9.19 . . . . . . . 38 LYS H . 16741 1 175 . 1 1 39 39 LYS C C 13 173.07 . . . . . . . 38 LYS C . 16741 1 176 . 1 1 39 39 LYS CA C 13 53.59 . . . . . . . 38 LYS CA . 16741 1 177 . 1 1 39 39 LYS CB C 13 34.2 . . . . . . . 38 LYS CB . 16741 1 178 . 1 1 39 39 LYS N N 15 121.05 . . . . . . . 38 LYS N . 16741 1 179 . 1 1 40 40 VAL H H 1 7.88 . . . . . . . 39 VAL H . 16741 1 180 . 1 1 40 40 VAL C C 13 173.11 . . . . . . . 39 VAL C . 16741 1 181 . 1 1 40 40 VAL CA C 13 66.21 . . . . . . . 39 VAL CA . 16741 1 182 . 1 1 40 40 VAL CB C 13 31.37 . . . . . . . 39 VAL CB . 16741 1 183 . 1 1 40 40 VAL N N 15 119.3 . . . . . . . 39 VAL N . 16741 1 184 . 1 1 41 41 GLY H H 1 8.86 . . . . . . . 40 GLY H . 16741 1 185 . 1 1 41 41 GLY C C 13 175.99 . . . . . . . 40 GLY C . 16741 1 186 . 1 1 41 41 GLY CA C 13 44.64 . . . . . . . 40 GLY CA . 16741 1 187 . 1 1 41 41 GLY N N 15 117.04 . . . . . . . 40 GLY N . 16741 1 188 . 1 1 42 42 ASP H H 1 8.34 . . . . . . . 41 ASP H . 16741 1 189 . 1 1 42 42 ASP C C 13 174.84 . . . . . . . 41 ASP C . 16741 1 190 . 1 1 42 42 ASP CA C 13 55.25 . . . . . . . 41 ASP CA . 16741 1 191 . 1 1 42 42 ASP CB C 13 41.32 . . . . . . . 41 ASP CB . 16741 1 192 . 1 1 42 42 ASP N N 15 121.7 . . . . . . . 41 ASP N . 16741 1 193 . 1 1 43 43 THR H H 1 8.46 . . . . . . . 42 THR H . 16741 1 194 . 1 1 43 43 THR C C 13 176.67 . . . . . . . 42 THR C . 16741 1 195 . 1 1 43 43 THR CA C 13 62.09 . . . . . . . 42 THR CA . 16741 1 196 . 1 1 43 43 THR CB C 13 70.33 . . . . . . . 42 THR CB . 16741 1 197 . 1 1 43 43 THR N N 15 116.53 . . . . . . . 42 THR N . 16741 1 198 . 1 1 44 44 VAL H H 1 9.27 . . . . . . . 43 VAL H . 16741 1 199 . 1 1 44 44 VAL C C 13 176.65 . . . . . . . 43 VAL C . 16741 1 200 . 1 1 44 44 VAL CA C 13 64.22 . . . . . . . 43 VAL CA . 16741 1 201 . 1 1 44 44 VAL CB C 13 34.33 . . . . . . . 43 VAL CB . 16741 1 202 . 1 1 44 44 VAL N N 15 129.77 . . . . . . . 43 VAL N . 16741 1 203 . 1 1 45 45 THR H H 1 8.05 . . . . . . . 44 THR H . 16741 1 204 . 1 1 45 45 THR C C 13 177.75 . . . . . . . 44 THR C . 16741 1 205 . 1 1 45 45 THR CA C 13 61.7 . . . . . . . 44 THR CA . 16741 1 206 . 1 1 45 45 THR CB C 13 71.19 . . . . . . . 44 THR CB . 16741 1 207 . 1 1 45 45 THR N N 15 122.64 . . . . . . . 44 THR N . 16741 1 208 . 1 1 46 46 TRP H H 1 9.58 . . . . . . . 45 TRP H . 16741 1 209 . 1 1 46 46 TRP C C 13 174.74 . . . . . . . 45 TRP C . 16741 1 210 . 1 1 46 46 TRP CA C 13 58.53 . . . . . . . 45 TRP CA . 16741 1 211 . 1 1 46 46 TRP CB C 13 31.8 . . . . . . . 45 TRP CB . 16741 1 212 . 1 1 46 46 TRP N N 15 129.85 . . . . . . . 45 TRP N . 16741 1 213 . 1 1 47 47 ILE H H 1 8.3 . . . . . . . 46 ILE H . 16741 1 214 . 1 1 47 47 ILE C C 13 174.88 . . . . . . . 46 ILE C . 16741 1 215 . 1 1 47 47 ILE CA C 13 60.72 . . . . . . . 46 ILE CA . 16741 1 216 . 1 1 47 47 ILE CB C 13 41.25 . . . . . . . 46 ILE CB . 16741 1 217 . 1 1 47 47 ILE N N 15 117.52 . . . . . . . 46 ILE N . 16741 1 218 . 1 1 48 48 ASN H H 1 8.51 . . . . . . . 47 ASN H . 16741 1 219 . 1 1 48 48 ASN C C 13 174.09 . . . . . . . 47 ASN C . 16741 1 220 . 1 1 48 48 ASN CA C 13 52.94 . . . . . . . 47 ASN CA . 16741 1 221 . 1 1 48 48 ASN CB C 13 37.82 . . . . . . . 47 ASN CB . 16741 1 222 . 1 1 48 48 ASN N N 15 123.65 . . . . . . . 47 ASN N . 16741 1 223 . 1 1 49 49 ARG H H 1 9.36 . . . . . . . 48 ARG H . 16741 1 224 . 1 1 49 49 ARG C C 13 173.36 . . . . . . . 48 ARG C . 16741 1 225 . 1 1 49 49 ARG CA C 13 53.53 . . . . . . . 48 ARG CA . 16741 1 226 . 1 1 49 49 ARG CB C 13 30.13 . . . . . . . 48 ARG CB . 16741 1 227 . 1 1 49 49 ARG N N 15 125.05 . . . . . . . 48 ARG N . 16741 1 228 . 1 1 50 50 GLU H H 1 8.68 . . . . . . . 49 GLU H . 16741 1 229 . 1 1 50 50 GLU C C 13 177.98 . . . . . . . 49 GLU C . 16741 1 230 . 1 1 50 50 GLU CA C 13 54.01 . . . . . . . 49 GLU CA . 16741 1 231 . 1 1 50 50 GLU CB C 13 33.79 . . . . . . . 49 GLU CB . 16741 1 232 . 1 1 50 50 GLU N N 15 121.57 . . . . . . . 49 GLU N . 16741 1 233 . 1 1 51 51 ALA H H 1 7.89 . . . . . . . 50 ALA H . 16741 1 234 . 1 1 51 51 ALA C C 13 171.02 . . . . . . . 50 ALA C . 16741 1 235 . 1 1 51 51 ALA CA C 13 53.1 . . . . . . . 50 ALA CA . 16741 1 236 . 1 1 51 51 ALA CB C 13 18.54 . . . . . . . 50 ALA CB . 16741 1 237 . 1 1 51 51 ALA N N 15 117.2 . . . . . . . 50 ALA N . 16741 1 238 . 1 1 52 52 MET H H 1 7.47 . . . . . . . 51 MET H . 16741 1 239 . 1 1 52 52 MET C C 13 178.32 . . . . . . . 51 MET C . 16741 1 240 . 1 1 52 52 MET CA C 13 52.9 . . . . . . . 51 MET CA . 16741 1 241 . 1 1 52 52 MET CB C 13 32.6 . . . . . . . 51 MET CB . 16741 1 242 . 1 1 52 52 MET N N 15 120.07 . . . . . . . 51 MET N . 16741 1 243 . 1 1 54 54 HIS H H 1 7.36 . . . . . . . 53 HIS H . 16741 1 244 . 1 1 54 54 HIS N N 15 117.47 . . . . . . . 53 HIS N . 16741 1 245 . 1 1 56 56 VAL H H 1 6.47 . . . . . . . 55 VAL H . 16741 1 246 . 1 1 56 56 VAL C C 13 176.21 . . . . . . . 55 VAL C . 16741 1 247 . 1 1 56 56 VAL CA C 13 60.98 . . . . . . . 55 VAL CA . 16741 1 248 . 1 1 56 56 VAL CB C 13 33.83 . . . . . . . 55 VAL CB . 16741 1 249 . 1 1 56 56 VAL N N 15 106.72 . . . . . . . 55 VAL N . 16741 1 250 . 1 1 57 57 HIS H H 1 8.48 . . . . . . . 56 HIS H . 16741 1 251 . 1 1 57 57 HIS C C 13 174.04 . . . . . . . 56 HIS C . 16741 1 252 . 1 1 57 57 HIS CA C 13 52.98 . . . . . . . 56 HIS CA . 16741 1 253 . 1 1 57 57 HIS CB C 13 33.57 . . . . . . . 56 HIS CB . 16741 1 254 . 1 1 57 57 HIS N N 15 123.86 . . . . . . . 56 HIS N . 16741 1 255 . 1 1 58 58 PHE H H 1 9.21 . . . . . . . 57 PHE H . 16741 1 256 . 1 1 58 58 PHE C C 13 174.27 . . . . . . . 57 PHE C . 16741 1 257 . 1 1 58 58 PHE CA C 13 55.24 . . . . . . . 57 PHE CA . 16741 1 258 . 1 1 58 58 PHE CB C 13 40.68 . . . . . . . 57 PHE CB . 16741 1 259 . 1 1 58 58 PHE N N 15 125.19 . . . . . . . 57 PHE N . 16741 1 260 . 1 1 59 59 VAL H H 1 8.85 . . . . . . . 58 VAL H . 16741 1 261 . 1 1 59 59 VAL C C 13 174.9 . . . . . . . 58 VAL C . 16741 1 262 . 1 1 59 59 VAL CA C 13 62.35 . . . . . . . 58 VAL CA . 16741 1 263 . 1 1 59 59 VAL CB C 13 32.38 . . . . . . . 58 VAL CB . 16741 1 264 . 1 1 59 59 VAL N N 15 117.97 . . . . . . . 58 VAL N . 16741 1 265 . 1 1 60 60 ALA H H 1 8.68 . . . . . . . 59 ALA H . 16741 1 266 . 1 1 60 60 ALA C C 13 172.71 . . . . . . . 59 ALA C . 16741 1 267 . 1 1 60 60 ALA CA C 13 54.64 . . . . . . . 59 ALA CA . 16741 1 268 . 1 1 60 60 ALA CB C 13 18.1 . . . . . . . 59 ALA CB . 16741 1 269 . 1 1 60 60 ALA N N 15 123.71 . . . . . . . 59 ALA N . 16741 1 270 . 1 1 61 61 GLY H H 1 7.63 . . . . . . . 60 GLY H . 16741 1 271 . 1 1 61 61 GLY C C 13 174.94 . . . . . . . 60 GLY C . 16741 1 272 . 1 1 61 61 GLY CA C 13 45.88 . . . . . . . 60 GLY CA . 16741 1 273 . 1 1 61 61 GLY N N 15 111.5 . . . . . . . 60 GLY N . 16741 1 274 . 1 1 62 62 VAL H H 1 7.8 . . . . . . . 61 VAL H . 16741 1 275 . 1 1 62 62 VAL C C 13 173.75 . . . . . . . 61 VAL C . 16741 1 276 . 1 1 62 62 VAL CA C 13 66.58 . . . . . . . 61 VAL CA . 16741 1 277 . 1 1 62 62 VAL CB C 13 32.93 . . . . . . . 61 VAL CB . 16741 1 278 . 1 1 62 62 VAL N N 15 120.91 . . . . . . . 61 VAL N . 16741 1 279 . 1 1 63 63 LEU H H 1 9.18 . . . . . . . 62 LEU H . 16741 1 280 . 1 1 63 63 LEU C C 13 174.94 . . . . . . . 62 LEU C . 16741 1 281 . 1 1 63 63 LEU CA C 13 53.56 . . . . . . . 62 LEU CA . 16741 1 282 . 1 1 63 63 LEU CB C 13 42.61 . . . . . . . 62 LEU CB . 16741 1 283 . 1 1 63 63 LEU N N 15 115.35 . . . . . . . 62 LEU N . 16741 1 284 . 1 1 64 64 GLY H H 1 7.43 . . . . . . . 63 GLY H . 16741 1 285 . 1 1 64 64 GLY C C 13 178.51 . . . . . . . 63 GLY C . 16741 1 286 . 1 1 64 64 GLY CA C 13 44.08 . . . . . . . 63 GLY CA . 16741 1 287 . 1 1 64 64 GLY N N 15 105.07 . . . . . . . 63 GLY N . 16741 1 288 . 1 1 65 65 GLU H H 1 8.65 . . . . . . . 64 GLU H . 16741 1 289 . 1 1 65 65 GLU C C 13 172.49 . . . . . . . 64 GLU C . 16741 1 290 . 1 1 65 65 GLU CA C 13 59.79 . . . . . . . 64 GLU CA . 16741 1 291 . 1 1 65 65 GLU CB C 13 29.96 . . . . . . . 64 GLU CB . 16741 1 292 . 1 1 65 65 GLU N N 15 119.22 . . . . . . . 64 GLU N . 16741 1 293 . 1 1 66 66 ALA H H 1 7.95 . . . . . . . 65 ALA H . 16741 1 294 . 1 1 66 66 ALA C C 13 172.83 . . . . . . . 65 ALA C . 16741 1 295 . 1 1 66 66 ALA CA C 13 50.52 . . . . . . . 65 ALA CA . 16741 1 296 . 1 1 66 66 ALA CB C 13 20.4 . . . . . . . 65 ALA CB . 16741 1 297 . 1 1 66 66 ALA N N 15 119.28 . . . . . . . 65 ALA N . 16741 1 298 . 1 1 67 67 ALA H H 1 8.48 . . . . . . . 66 ALA H . 16741 1 299 . 1 1 67 67 ALA C C 13 173.44 . . . . . . . 66 ALA C . 16741 1 300 . 1 1 67 67 ALA CA C 13 52.45 . . . . . . . 66 ALA CA . 16741 1 301 . 1 1 67 67 ALA CB C 13 19.93 . . . . . . . 66 ALA CB . 16741 1 302 . 1 1 67 67 ALA N N 15 120.64 . . . . . . . 66 ALA N . 16741 1 303 . 1 1 68 68 LEU H H 1 8.87 . . . . . . . 67 LEU H . 16741 1 304 . 1 1 68 68 LEU C C 13 176.77 . . . . . . . 67 LEU C . 16741 1 305 . 1 1 68 68 LEU CA C 13 54.6 . . . . . . . 67 LEU CA . 16741 1 306 . 1 1 68 68 LEU CB C 13 43.47 . . . . . . . 67 LEU CB . 16741 1 307 . 1 1 68 68 LEU N N 15 123.48 . . . . . . . 67 LEU N . 16741 1 308 . 1 1 69 69 LYS H H 1 8.5 . . . . . . . 68 LYS H . 16741 1 309 . 1 1 69 69 LYS C C 13 175.22 . . . . . . . 68 LYS C . 16741 1 310 . 1 1 69 69 LYS CA C 13 55.09 . . . . . . . 68 LYS CA . 16741 1 311 . 1 1 69 69 LYS CB C 13 31.42 . . . . . . . 68 LYS CB . 16741 1 312 . 1 1 69 69 LYS N N 15 128.97 . . . . . . . 68 LYS N . 16741 1 313 . 1 1 70 70 GLY H H 1 8.9 . . . . . . . 69 GLY H . 16741 1 314 . 1 1 70 70 GLY CA C 13 44.54 . . . . . . . 69 GLY CA . 16741 1 315 . 1 1 70 70 GLY N N 15 116.65 . . . . . . . 69 GLY N . 16741 1 316 . 1 1 71 71 PRO C C 13 173.74 . . . . . . . 70 PRO C . 16741 1 317 . 1 1 71 71 PRO CA C 13 61.94 . . . . . . . 70 PRO CA . 16741 1 318 . 1 1 71 71 PRO CB C 13 31.75 . . . . . . . 70 PRO CB . 16741 1 319 . 1 1 72 72 MET H H 1 8.25 . . . . . . . 71 MET H . 16741 1 320 . 1 1 72 72 MET C C 13 174.08 . . . . . . . 71 MET C . 16741 1 321 . 1 1 72 72 MET CA C 13 54.54 . . . . . . . 71 MET CA . 16741 1 322 . 1 1 72 72 MET CB C 13 29.19 . . . . . . . 71 MET CB . 16741 1 323 . 1 1 72 72 MET N N 15 117.1 . . . . . . . 71 MET N . 16741 1 324 . 1 1 73 73 MET H H 1 9.02 . . . . . . . 72 MET H . 16741 1 325 . 1 1 73 73 MET C C 13 173.47 . . . . . . . 72 MET C . 16741 1 326 . 1 1 73 73 MET CA C 13 55.2 . . . . . . . 72 MET CA . 16741 1 327 . 1 1 73 73 MET CB C 13 37.42 . . . . . . . 72 MET CB . 16741 1 328 . 1 1 73 73 MET N N 15 122.96 . . . . . . . 72 MET N . 16741 1 329 . 1 1 74 74 LYS H H 1 8.58 . . . . . . . 73 LYS H . 16741 1 330 . 1 1 74 74 LYS C C 13 175.79 . . . . . . . 73 LYS C . 16741 1 331 . 1 1 74 74 LYS CA C 13 54.97 . . . . . . . 73 LYS CA . 16741 1 332 . 1 1 74 74 LYS CB C 13 33.19 . . . . . . . 73 LYS CB . 16741 1 333 . 1 1 74 74 LYS N N 15 123.11 . . . . . . . 73 LYS N . 16741 1 334 . 1 1 75 75 LYS H H 1 7.91 . . . . . . . 74 LYS H . 16741 1 335 . 1 1 75 75 LYS C C 13 172.98 . . . . . . . 74 LYS C . 16741 1 336 . 1 1 75 75 LYS CA C 13 59.09 . . . . . . . 74 LYS CA . 16741 1 337 . 1 1 75 75 LYS CB C 13 33.28 . . . . . . . 74 LYS CB . 16741 1 338 . 1 1 75 75 LYS N N 15 119.73 . . . . . . . 74 LYS N . 16741 1 339 . 1 1 76 76 GLU H H 1 9.36 . . . . . . . 75 GLU H . 16741 1 340 . 1 1 76 76 GLU C C 13 174.73 . . . . . . . 75 GLU C . 16741 1 341 . 1 1 76 76 GLU CA C 13 58.3 . . . . . . . 75 GLU CA . 16741 1 342 . 1 1 76 76 GLU CB C 13 26.33 . . . . . . . 75 GLU CB . 16741 1 343 . 1 1 76 76 GLU N N 15 118.11 . . . . . . . 75 GLU N . 16741 1 344 . 1 1 77 77 GLN H H 1 7.89 . . . . . . . 76 GLN H . 16741 1 345 . 1 1 77 77 GLN C C 13 177.4 . . . . . . . 76 GLN C . 16741 1 346 . 1 1 77 77 GLN CA C 13 55.13 . . . . . . . 76 GLN CA . 16741 1 347 . 1 1 77 77 GLN CB C 13 31.89 . . . . . . . 76 GLN CB . 16741 1 348 . 1 1 77 77 GLN N N 15 116.67 . . . . . . . 76 GLN N . 16741 1 349 . 1 1 78 78 ALA H H 1 8.8 . . . . . . . 77 ALA H . 16741 1 350 . 1 1 78 78 ALA C C 13 175.05 . . . . . . . 77 ALA C . 16741 1 351 . 1 1 78 78 ALA CA C 13 49.85 . . . . . . . 77 ALA CA . 16741 1 352 . 1 1 78 78 ALA CB C 13 25.02 . . . . . . . 77 ALA CB . 16741 1 353 . 1 1 78 78 ALA N N 15 122.05 . . . . . . . 77 ALA N . 16741 1 354 . 1 1 79 79 TYR H H 1 8.41 . . . . . . . 78 TYR H . 16741 1 355 . 1 1 79 79 TYR C C 13 176.72 . . . . . . . 78 TYR C . 16741 1 356 . 1 1 79 79 TYR CA C 13 59.51 . . . . . . . 78 TYR CA . 16741 1 357 . 1 1 79 79 TYR CB C 13 43.51 . . . . . . . 78 TYR CB . 16741 1 358 . 1 1 79 79 TYR N N 15 117.13 . . . . . . . 78 TYR N . 16741 1 359 . 1 1 80 80 SER H H 1 7.62 . . . . . . . 79 SER H . 16741 1 360 . 1 1 80 80 SER C C 13 177.65 . . . . . . . 79 SER C . 16741 1 361 . 1 1 80 80 SER CA C 13 57.47 . . . . . . . 79 SER CA . 16741 1 362 . 1 1 80 80 SER CB C 13 67.23 . . . . . . . 79 SER CB . 16741 1 363 . 1 1 80 80 SER N N 15 121.65 . . . . . . . 79 SER N . 16741 1 364 . 1 1 81 81 LEU H H 1 8.84 . . . . . . . 80 LEU H . 16741 1 365 . 1 1 81 81 LEU C C 13 175.97 . . . . . . . 80 LEU C . 16741 1 366 . 1 1 81 81 LEU CA C 13 54.61 . . . . . . . 80 LEU CA . 16741 1 367 . 1 1 81 81 LEU CB C 13 48.18 . . . . . . . 80 LEU CB . 16741 1 368 . 1 1 81 81 LEU N N 15 119.69 . . . . . . . 80 LEU N . 16741 1 369 . 1 1 82 82 THR H H 1 8.51 . . . . . . . 81 THR H . 16741 1 370 . 1 1 82 82 THR C C 13 176.23 . . . . . . . 81 THR C . 16741 1 371 . 1 1 82 82 THR CA C 13 61.54 . . . . . . . 81 THR CA . 16741 1 372 . 1 1 82 82 THR CB C 13 69.33 . . . . . . . 81 THR CB . 16741 1 373 . 1 1 82 82 THR N N 15 119.61 . . . . . . . 81 THR N . 16741 1 374 . 1 1 83 83 PHE H H 1 8.11 . . . . . . . 82 PHE H . 16741 1 375 . 1 1 83 83 PHE C C 13 173.55 . . . . . . . 82 PHE C . 16741 1 376 . 1 1 83 83 PHE CA C 13 59.58 . . . . . . . 82 PHE CA . 16741 1 377 . 1 1 83 83 PHE CB C 13 41.55 . . . . . . . 82 PHE CB . 16741 1 378 . 1 1 83 83 PHE N N 15 125.08 . . . . . . . 82 PHE N . 16741 1 379 . 1 1 84 84 THR H H 1 8.14 . . . . . . . 83 THR H . 16741 1 380 . 1 1 84 84 THR C C 13 176.23 . . . . . . . 83 THR C . 16741 1 381 . 1 1 84 84 THR CA C 13 62.1 . . . . . . . 83 THR CA . 16741 1 382 . 1 1 84 84 THR CB C 13 69.06 . . . . . . . 83 THR CB . 16741 1 383 . 1 1 84 84 THR N N 15 112.02 . . . . . . . 83 THR N . 16741 1 384 . 1 1 85 85 GLU H H 1 7.67 . . . . . . . 84 GLU H . 16741 1 385 . 1 1 85 85 GLU C C 13 174.58 . . . . . . . 84 GLU C . 16741 1 386 . 1 1 85 85 GLU CA C 13 55.31 . . . . . . . 84 GLU CA . 16741 1 387 . 1 1 85 85 GLU CB C 13 33.82 . . . . . . . 84 GLU CB . 16741 1 388 . 1 1 85 85 GLU N N 15 119.92 . . . . . . . 84 GLU N . 16741 1 389 . 1 1 86 86 ALA H H 1 9.04 . . . . . . . 85 ALA H . 16741 1 390 . 1 1 86 86 ALA C C 13 173.67 . . . . . . . 85 ALA C . 16741 1 391 . 1 1 86 86 ALA CA C 13 52.93 . . . . . . . 85 ALA CA . 16741 1 392 . 1 1 86 86 ALA CB C 13 18.54 . . . . . . . 85 ALA CB . 16741 1 393 . 1 1 86 86 ALA N N 15 131.29 . . . . . . . 85 ALA N . 16741 1 394 . 1 1 87 87 GLY H H 1 8.74 . . . . . . . 86 GLY H . 16741 1 395 . 1 1 87 87 GLY C C 13 179.82 . . . . . . . 86 GLY C . 16741 1 396 . 1 1 87 87 GLY CA C 13 44.88 . . . . . . . 86 GLY CA . 16741 1 397 . 1 1 87 87 GLY N N 15 109.01 . . . . . . . 86 GLY N . 16741 1 398 . 1 1 88 88 THR H H 1 7.74 . . . . . . . 87 THR H . 16741 1 399 . 1 1 88 88 THR C C 13 177.06 . . . . . . . 87 THR C . 16741 1 400 . 1 1 88 88 THR CA C 13 62.26 . . . . . . . 87 THR CA . 16741 1 401 . 1 1 88 88 THR CB C 13 70.39 . . . . . . . 87 THR CB . 16741 1 402 . 1 1 88 88 THR N N 15 114.57 . . . . . . . 87 THR N . 16741 1 403 . 1 1 89 89 TYR H H 1 9.12 . . . . . . . 88 TYR H . 16741 1 404 . 1 1 89 89 TYR C C 13 176.15 . . . . . . . 88 TYR C . 16741 1 405 . 1 1 89 89 TYR CA C 13 56.57 . . . . . . . 88 TYR CA . 16741 1 406 . 1 1 89 89 TYR CB C 13 39.92 . . . . . . . 88 TYR CB . 16741 1 407 . 1 1 89 89 TYR N N 15 127.28 . . . . . . . 88 TYR N . 16741 1 408 . 1 1 90 90 ASP H H 1 8.58 . . . . . . . 89 ASP H . 16741 1 409 . 1 1 90 90 ASP C C 13 175.19 . . . . . . . 89 ASP C . 16741 1 410 . 1 1 90 90 ASP CA C 13 54.53 . . . . . . . 89 ASP CA . 16741 1 411 . 1 1 90 90 ASP CB C 13 42.94 . . . . . . . 89 ASP CB . 16741 1 412 . 1 1 90 90 ASP N N 15 126.65 . . . . . . . 89 ASP N . 16741 1 413 . 1 1 91 91 TYR H H 1 8.36 . . . . . . . 90 TYR H . 16741 1 414 . 1 1 91 91 TYR C C 13 175.98 . . . . . . . 90 TYR C . 16741 1 415 . 1 1 91 91 TYR CA C 13 56.31 . . . . . . . 90 TYR CA . 16741 1 416 . 1 1 91 91 TYR CB C 13 39.45 . . . . . . . 90 TYR CB . 16741 1 417 . 1 1 91 91 TYR N N 15 116.89 . . . . . . . 90 TYR N . 16741 1 418 . 1 1 92 92 HIS H H 1 8.64 . . . . . . . 91 HIS H . 16741 1 419 . 1 1 92 92 HIS C C 13 179.71 . . . . . . . 91 HIS C . 16741 1 420 . 1 1 92 92 HIS CA C 13 54.62 . . . . . . . 91 HIS CA . 16741 1 421 . 1 1 92 92 HIS CB C 13 33.18 . . . . . . . 91 HIS CB . 16741 1 422 . 1 1 92 92 HIS N N 15 117.11 . . . . . . . 91 HIS N . 16741 1 423 . 1 1 93 93 CYS H H 1 7.02 . . . . . . . 92 CYS H . 16741 1 424 . 1 1 93 93 CYS CA C 13 58.03 . . . . . . . 92 CYS CA . 16741 1 425 . 1 1 93 93 CYS CB C 13 30.48 . . . . . . . 92 CYS CB . 16741 1 426 . 1 1 93 93 CYS N N 15 122.62 . . . . . . . 92 CYS N . 16741 1 427 . 1 1 94 94 THR H H 1 10.39 . . . . . . . 93 THR H . 16741 1 428 . 1 1 94 94 THR CA C 13 69.55 . . . . . . . 93 THR CA . 16741 1 429 . 1 1 94 94 THR CB C 13 65.15 . . . . . . . 93 THR CB . 16741 1 430 . 1 1 94 94 THR N N 15 128.25 . . . . . . . 93 THR N . 16741 1 431 . 1 1 95 95 PRO C C 13 174.3 . . . . . . . 94 PRO C . 16741 1 432 . 1 1 95 95 PRO CA C 13 64.08 . . . . . . . 94 PRO CA . 16741 1 433 . 1 1 96 96 HIS H H 1 7.23 . . . . . . . 95 HIS H . 16741 1 434 . 1 1 96 96 HIS CA C 13 52.73 . . . . . . . 95 HIS CA . 16741 1 435 . 1 1 96 96 HIS CB C 13 29.47 . . . . . . . 95 HIS CB . 16741 1 436 . 1 1 96 96 HIS N N 15 118.29 . . . . . . . 95 HIS N . 16741 1 437 . 1 1 98 98 PHE H H 1 6.62 . . . . . . . 97 PHE H . 16741 1 438 . 1 1 98 98 PHE C C 13 173.56 . . . . . . . 97 PHE C . 16741 1 439 . 1 1 98 98 PHE CA C 13 56.81 . . . . . . . 97 PHE CA . 16741 1 440 . 1 1 98 98 PHE CB C 13 37.48 . . . . . . . 97 PHE CB . 16741 1 441 . 1 1 98 98 PHE N N 15 113.69 . . . . . . . 97 PHE N . 16741 1 442 . 1 1 99 99 MET H H 1 8.47 . . . . . . . 98 MET H . 16741 1 443 . 1 1 99 99 MET CA C 13 56.62 . . . . . . . 98 MET CA . 16741 1 444 . 1 1 99 99 MET CB C 13 31.52 . . . . . . . 98 MET CB . 16741 1 445 . 1 1 99 99 MET N N 15 126.35 . . . . . . . 98 MET N . 16741 1 446 . 1 1 100 100 ARG H H 1 7.73 . . . . . . . 99 ARG H . 16741 1 447 . 1 1 100 100 ARG C C 13 174.74 . . . . . . . 99 ARG C . 16741 1 448 . 1 1 100 100 ARG CA C 13 54.66 . . . . . . . 99 ARG CA . 16741 1 449 . 1 1 100 100 ARG CB C 13 34.81 . . . . . . . 99 ARG CB . 16741 1 450 . 1 1 100 100 ARG N N 15 121.34 . . . . . . . 99 ARG N . 16741 1 451 . 1 1 101 101 GLY H H 1 7.67 . . . . . . . 100 GLY H . 16741 1 452 . 1 1 101 101 GLY C C 13 179.03 . . . . . . . 100 GLY C . 16741 1 453 . 1 1 101 101 GLY CA C 13 43.78 . . . . . . . 100 GLY CA . 16741 1 454 . 1 1 101 101 GLY N N 15 108.97 . . . . . . . 100 GLY N . 16741 1 455 . 1 1 102 102 LYS H H 1 8.44 . . . . . . . 101 LYS H . 16741 1 456 . 1 1 102 102 LYS C C 13 174.48 . . . . . . . 101 LYS C . 16741 1 457 . 1 1 102 102 LYS CA C 13 55.91 . . . . . . . 101 LYS CA . 16741 1 458 . 1 1 102 102 LYS CB C 13 36.78 . . . . . . . 101 LYS CB . 16741 1 459 . 1 1 102 102 LYS N N 15 116.97 . . . . . . . 101 LYS N . 16741 1 460 . 1 1 103 103 VAL H H 1 9.1 . . . . . . . 102 VAL H . 16741 1 461 . 1 1 103 103 VAL C C 13 176.67 . . . . . . . 102 VAL C . 16741 1 462 . 1 1 103 103 VAL CA C 13 61.83 . . . . . . . 102 VAL CA . 16741 1 463 . 1 1 103 103 VAL CB C 13 34.35 . . . . . . . 102 VAL CB . 16741 1 464 . 1 1 103 103 VAL N N 15 126.61 . . . . . . . 102 VAL N . 16741 1 465 . 1 1 104 104 VAL H H 1 9.27 . . . . . . . 103 VAL H . 16741 1 466 . 1 1 104 104 VAL C C 13 176.84 . . . . . . . 103 VAL C . 16741 1 467 . 1 1 104 104 VAL CA C 13 61.87 . . . . . . . 103 VAL CA . 16741 1 468 . 1 1 104 104 VAL CB C 13 32.04 . . . . . . . 103 VAL CB . 16741 1 469 . 1 1 104 104 VAL N N 15 129.75 . . . . . . . 103 VAL N . 16741 1 470 . 1 1 105 105 VAL H H 1 9.22 . . . . . . . 104 VAL H . 16741 1 471 . 1 1 105 105 VAL C C 13 174.58 . . . . . . . 104 VAL C . 16741 1 472 . 1 1 105 105 VAL CA C 13 60.85 . . . . . . . 104 VAL CA . 16741 1 473 . 1 1 105 105 VAL CB C 13 32.15 . . . . . . . 104 VAL CB . 16741 1 474 . 1 1 105 105 VAL N N 15 128.95 . . . . . . . 104 VAL N . 16741 1 475 . 1 1 106 106 GLU H H 1 8.85 . . . . . . . 105 GLU H . 16741 1 476 . 1 1 106 106 GLU C C 13 170.05 . . . . . . . 105 GLU C . 16741 1 477 . 1 1 106 106 GLU CA C 13 57.39 . . . . . . . 105 GLU CA . 16741 1 478 . 1 1 106 106 GLU CB C 13 32.63 . . . . . . . 105 GLU CB . 16741 1 479 . 1 1 106 106 GLU N N 15 133.54 . . . . . . . 105 GLU N . 16741 1 stop_ save_