################################### # 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 52800 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'Abl SH3SH2KD in complex with bafetinib' _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 '2D 1H-15N TROSY' . . . 52800 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 . . 52800 1 2 $software_2 . . 52800 1 3 $software_3 . . 52800 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 4 4 LEU H H 1 8.315 . . 1 . . . . . 84 LEU H . 52800 1 2 . 1 . 1 4 4 LEU N N 15 123.995 . . 1 . . . . . 84 LEU N . 52800 1 3 . 1 . 1 6 6 VAL H H 1 9.470 . . 1 . . . . . 86 VAL H . 52800 1 4 . 1 . 1 6 6 VAL N N 15 117.572 . . 1 . . . . . 86 VAL N . 52800 1 5 . 1 . 1 7 7 ALA H H 1 8.416 . . 1 . . . . . 87 ALA H . 52800 1 6 . 1 . 1 7 7 ALA N N 15 127.279 . . 1 . . . . . 87 ALA N . 52800 1 7 . 1 . 1 8 8 LEU H H 1 9.429 . . 1 . . . . . 88 LEU H . 52800 1 8 . 1 . 1 8 8 LEU N N 15 127.246 . . 1 . . . . . 88 LEU N . 52800 1 9 . 1 . 1 9 9 TYR H H 1 6.970 . . 1 . . . . . 89 TYR H . 52800 1 10 . 1 . 1 9 9 TYR N N 15 112.513 . . 1 . . . . . 89 TYR N . 52800 1 11 . 1 . 1 10 10 ASP H H 1 8.182 . . 1 . . . . . 90 ASP H . 52800 1 12 . 1 . 1 10 10 ASP N N 15 117.804 . . 1 . . . . . 90 ASP N . 52800 1 13 . 1 . 1 11 11 PHE H H 1 8.857 . . 1 . . . . . 91 PHE H . 52800 1 14 . 1 . 1 11 11 PHE N N 15 122.706 . . 1 . . . . . 91 PHE N . 52800 1 15 . 1 . 1 12 12 VAL H H 1 7.872 . . 1 . . . . . 92 VAL H . 52800 1 16 . 1 . 1 12 12 VAL N N 15 129.422 . . 1 . . . . . 92 VAL N . 52800 1 17 . 1 . 1 13 13 ALA H H 1 8.292 . . 1 . . . . . 93 ALA H . 52800 1 18 . 1 . 1 13 13 ALA N N 15 130.238 . . 1 . . . . . 93 ALA N . 52800 1 19 . 1 . 1 18 18 THR H H 1 7.687 . . 1 . . . . . 98 THR H . 52800 1 20 . 1 . 1 18 18 THR N N 15 109.566 . . 1 . . . . . 98 THR N . 52800 1 21 . 1 . 1 19 19 LEU H H 1 8.208 . . 1 . . . . . 99 LEU H . 52800 1 22 . 1 . 1 19 19 LEU N N 15 126.035 . . 1 . . . . . 99 LEU N . 52800 1 23 . 1 . 1 20 20 SER H H 1 8.114 . . 1 . . . . . 100 SER H . 52800 1 24 . 1 . 1 20 20 SER N N 15 121.287 . . 1 . . . . . 100 SER N . 52800 1 25 . 1 . 1 21 21 ILE H H 1 8.993 . . 1 . . . . . 101 ILE H . 52800 1 26 . 1 . 1 21 21 ILE N N 15 117.802 . . 1 . . . . . 101 ILE N . 52800 1 27 . 1 . 1 22 22 THR H H 1 8.979 . . 1 . . . . . 102 THR H . 52800 1 28 . 1 . 1 22 22 THR N N 15 119.544 . . 1 . . . . . 102 THR N . 52800 1 29 . 1 . 1 23 23 LYS H H 1 8.889 . . 1 . . . . . 103 LYS H . 52800 1 30 . 1 . 1 23 23 LYS N N 15 124.952 . . 1 . . . . . 103 LYS N . 52800 1 31 . 1 . 1 24 24 GLY H H 1 8.909 . . 1 . . . . . 104 GLY H . 52800 1 32 . 1 . 1 24 24 GLY N N 15 115.202 . . 1 . . . . . 104 GLY N . 52800 1 33 . 1 . 1 25 25 GLU H H 1 8.401 . . 1 . . . . . 105 GLU H . 52800 1 34 . 1 . 1 25 25 GLU N N 15 124.144 . . 1 . . . . . 105 GLU N . 52800 1 35 . 1 . 1 26 26 LYS H H 1 8.291 . . 1 . . . . . 106 LYS H . 52800 1 36 . 1 . 1 26 26 LYS N N 15 122.601 . . 1 . . . . . 106 LYS N . 52800 1 37 . 1 . 1 27 27 LEU H H 1 9.055 . . 1 . . . . . 107 LEU H . 52800 1 38 . 1 . 1 27 27 LEU N N 15 120.001 . . 1 . . . . . 107 LEU N . 52800 1 39 . 1 . 1 28 28 ARG H H 1 8.325 . . 1 . . . . . 108 ARG H . 52800 1 40 . 1 . 1 28 28 ARG N N 15 120.948 . . 1 . . . . . 108 ARG N . 52800 1 41 . 1 . 1 29 29 VAL H H 1 8.520 . . 1 . . . . . 109 VAL H . 52800 1 42 . 1 . 1 29 29 VAL N N 15 125.126 . . 1 . . . . . 109 VAL N . 52800 1 43 . 1 . 1 30 30 LEU H H 1 9.222 . . 1 . . . . . 110 LEU H . 52800 1 44 . 1 . 1 30 30 LEU N N 15 129.058 . . 1 . . . . . 110 LEU N . 52800 1 45 . 1 . 1 31 31 GLY H H 1 6.949 . . 1 . . . . . 111 GLY H . 52800 1 46 . 1 . 1 31 31 GLY N N 15 106.034 . . 1 . . . . . 111 GLY N . 52800 1 47 . 1 . 1 32 32 TYR H H 1 8.718 . . 1 . . . . . 112 TYR H . 52800 1 48 . 1 . 1 32 32 TYR N N 15 117.572 . . 1 . . . . . 112 TYR N . 52800 1 49 . 1 . 1 33 33 ASN H H 1 8.863 . . 1 . . . . . 113 ASN H . 52800 1 50 . 1 . 1 33 33 ASN N N 15 120.771 . . 1 . . . . . 113 ASN N . 52800 1 51 . 1 . 1 35 35 ASN H H 1 6.279 . . 1 . . . . . 115 ASN H . 52800 1 52 . 1 . 1 35 35 ASN N N 15 113.798 . . 1 . . . . . 115 ASN N . 52800 1 53 . 1 . 1 36 36 GLY H H 1 7.593 . . 1 . . . . . 116 GLY H . 52800 1 54 . 1 . 1 36 36 GLY N N 15 108.154 . . 1 . . . . . 116 GLY N . 52800 1 55 . 1 . 1 37 37 GLU H H 1 8.416 . . 1 . . . . . 117 GLU H . 52800 1 56 . 1 . 1 37 37 GLU N N 15 122.558 . . 1 . . . . . 117 GLU N . 52800 1 57 . 1 . 1 38 38 TRP H H 1 8.360 . . 1 . . . . . 118 TRP H . 52800 1 58 . 1 . 1 38 38 TRP N N 15 119.714 . . 1 . . . . . 118 TRP N . 52800 1 59 . 1 . 1 39 39 CYS H H 1 9.695 . . 1 . . . . . 119 CYS H . 52800 1 60 . 1 . 1 39 39 CYS N N 15 118.324 . . 1 . . . . . 119 CYS N . 52800 1 61 . 1 . 1 40 40 GLU H H 1 8.044 . . 1 . . . . . 120 GLU H . 52800 1 62 . 1 . 1 40 40 GLU N N 15 128.370 . . 1 . . . . . 120 GLU N . 52800 1 63 . 1 . 1 41 41 ALA H H 1 8.996 . . 1 . . . . . 121 ALA H . 52800 1 64 . 1 . 1 41 41 ALA N N 15 130.996 . . 1 . . . . . 121 ALA N . 52800 1 65 . 1 . 1 42 42 GLN H H 1 8.730 . . 1 . . . . . 122 GLN H . 52800 1 66 . 1 . 1 42 42 GLN N N 15 117.749 . . 1 . . . . . 122 GLN N . 52800 1 67 . 1 . 1 43 43 THR H H 1 9.058 . . 1 . . . . . 123 THR H . 52800 1 68 . 1 . 1 43 43 THR N N 15 118.120 . . 1 . . . . . 123 THR N . 52800 1 69 . 1 . 1 45 45 ASN H H 1 8.204 . . 1 . . . . . 125 ASN H . 52800 1 70 . 1 . 1 45 45 ASN N N 15 114.376 . . 1 . . . . . 125 ASN N . 52800 1 71 . 1 . 1 46 46 GLY H H 1 7.460 . . 1 . . . . . 126 GLY H . 52800 1 72 . 1 . 1 46 46 GLY N N 15 108.750 . . 1 . . . . . 126 GLY N . 52800 1 73 . 1 . 1 47 47 GLN H H 1 8.217 . . 1 . . . . . 127 GLN H . 52800 1 74 . 1 . 1 47 47 GLN N N 15 120.044 . . 1 . . . . . 127 GLN N . 52800 1 75 . 1 . 1 48 48 GLY H H 1 8.661 . . 1 . . . . . 128 GLY H . 52800 1 76 . 1 . 1 48 48 GLY N N 15 112.671 . . 1 . . . . . 128 GLY N . 52800 1 77 . 1 . 1 49 49 TRP H H 1 8.863 . . 1 . . . . . 129 TRP H . 52800 1 78 . 1 . 1 49 49 TRP N N 15 121.568 . . 1 . . . . . 129 TRP N . 52800 1 79 . 1 . 1 50 50 VAL H H 1 9.629 . . 1 . . . . . 130 VAL H . 52800 1 80 . 1 . 1 50 50 VAL N N 15 116.196 . . 1 . . . . . 130 VAL N . 52800 1 81 . 1 . 1 52 52 SER H H 1 8.364 . . 1 . . . . . 132 SER H . 52800 1 82 . 1 . 1 52 52 SER N N 15 121.391 . . 1 . . . . . 132 SER N . 52800 1 83 . 1 . 1 54 54 TYR H H 1 7.819 . . 1 . . . . . 134 TYR H . 52800 1 84 . 1 . 1 54 54 TYR N N 15 119.366 . . 1 . . . . . 134 TYR N . 52800 1 85 . 1 . 1 55 55 ILE H H 1 7.325 . . 1 . . . . . 135 ILE H . 52800 1 86 . 1 . 1 55 55 ILE N N 15 112.093 . . 1 . . . . . 135 ILE N . 52800 1 87 . 1 . 1 56 56 THR H H 1 8.610 . . 1 . . . . . 136 THR H . 52800 1 88 . 1 . 1 56 56 THR N N 15 115.916 . . 1 . . . . . 136 THR N . 52800 1 89 . 1 . 1 63 63 LYS H H 1 7.274 . . 1 . . . . . 143 LYS H . 52800 1 90 . 1 . 1 63 63 LYS N N 15 117.120 . . 1 . . . . . 143 LYS N . 52800 1 91 . 1 . 1 66 66 TRP H H 1 6.388 . . 1 . . . . . 146 TRP H . 52800 1 92 . 1 . 1 66 66 TRP N N 15 111.076 . . 1 . . . . . 146 TRP N . 52800 1 93 . 1 . 1 67 67 TYR H H 1 7.534 . . 1 . . . . . 147 TYR H . 52800 1 94 . 1 . 1 67 67 TYR N N 15 124.181 . . 1 . . . . . 147 TYR N . 52800 1 95 . 1 . 1 68 68 HIS H H 1 8.816 . . 1 . . . . . 148 HIS H . 52800 1 96 . 1 . 1 68 68 HIS N N 15 127.683 . . 1 . . . . . 148 HIS N . 52800 1 97 . 1 . 1 69 69 GLY H H 1 5.810 . . 1 . . . . . 149 GLY H . 52800 1 98 . 1 . 1 69 69 GLY N N 15 105.778 . . 1 . . . . . 149 GLY N . 52800 1 99 . 1 . 1 71 71 VAL H H 1 8.069 . . 1 . . . . . 151 VAL H . 52800 1 100 . 1 . 1 71 71 VAL N N 15 127.029 . . 1 . . . . . 151 VAL N . 52800 1 101 . 1 . 1 72 72 SER H H 1 8.669 . . 1 . . . . . 152 SER H . 52800 1 102 . 1 . 1 72 72 SER N N 15 123.090 . . 1 . . . . . 152 SER N . 52800 1 103 . 1 . 1 76 76 ALA H H 1 8.566 . . 1 . . . . . 156 ALA H . 52800 1 104 . 1 . 1 76 76 ALA N N 15 121.618 . . 1 . . . . . 156 ALA N . 52800 1 105 . 1 . 1 77 77 GLU H H 1 7.956 . . 1 . . . . . 157 GLU H . 52800 1 106 . 1 . 1 77 77 GLU N N 15 116.245 . . 1 . . . . . 157 GLU N . 52800 1 107 . 1 . 1 80 80 LEU H H 1 7.541 . . 1 . . . . . 160 LEU H . 52800 1 108 . 1 . 1 80 80 LEU N N 15 116.377 . . 1 . . . . . 160 LEU N . 52800 1 109 . 1 . 1 86 86 GLY H H 1 9.287 . . 1 . . . . . 166 GLY H . 52800 1 110 . 1 . 1 86 86 GLY N N 15 109.580 . . 1 . . . . . 166 GLY N . 52800 1 111 . 1 . 1 88 88 PHE H H 1 8.773 . . 1 . . . . . 168 PHE H . 52800 1 112 . 1 . 1 88 88 PHE N N 15 121.170 . . 1 . . . . . 168 PHE N . 52800 1 113 . 1 . 1 89 89 LEU H H 1 9.033 . . 1 . . . . . 169 LEU H . 52800 1 114 . 1 . 1 89 89 LEU N N 15 114.804 . . 1 . . . . . 169 LEU N . 52800 1 115 . 1 . 1 90 90 VAL H H 1 9.177 . . 1 . . . . . 170 VAL H . 52800 1 116 . 1 . 1 90 90 VAL N N 15 121.340 . . 1 . . . . . 170 VAL N . 52800 1 117 . 1 . 1 91 91 ARG H H 1 9.126 . . 1 . . . . . 171 ARG H . 52800 1 118 . 1 . 1 91 91 ARG N N 15 123.317 . . 1 . . . . . 171 ARG N . 52800 1 119 . 1 . 1 99 99 GLN H H 1 8.042 . . 1 . . . . . 179 GLN H . 52800 1 120 . 1 . 1 99 99 GLN N N 15 121.789 . . 1 . . . . . 179 GLN N . 52800 1 121 . 1 . 1 100 100 ARG H H 1 9.140 . . 1 . . . . . 180 ARG H . 52800 1 122 . 1 . 1 100 100 ARG N N 15 126.859 . . 1 . . . . . 180 ARG N . 52800 1 123 . 1 . 1 101 101 SER H H 1 8.985 . . 1 . . . . . 181 SER H . 52800 1 124 . 1 . 1 101 101 SER N N 15 115.135 . . 1 . . . . . 181 SER N . 52800 1 125 . 1 . 1 102 102 ILE H H 1 9.496 . . 1 . . . . . 182 ILE H . 52800 1 126 . 1 . 1 102 102 ILE N N 15 123.053 . . 1 . . . . . 182 ILE N . 52800 1 127 . 1 . 1 103 103 SER H H 1 9.066 . . 1 . . . . . 183 SER H . 52800 1 128 . 1 . 1 103 103 SER N N 15 124.513 . . 1 . . . . . 183 SER N . 52800 1 129 . 1 . 1 104 104 LEU H H 1 9.324 . . 1 . . . . . 184 LEU H . 52800 1 130 . 1 . 1 104 104 LEU N N 15 127.348 . . 1 . . . . . 184 LEU N . 52800 1 131 . 1 . 1 106 106 TYR H H 1 9.463 . . 1 . . . . . 186 TYR H . 52800 1 132 . 1 . 1 106 106 TYR N N 15 126.219 . . 1 . . . . . 186 TYR N . 52800 1 133 . 1 . 1 107 107 GLU H H 1 9.337 . . 1 . . . . . 187 GLU H . 52800 1 134 . 1 . 1 107 107 GLU N N 15 129.123 . . 1 . . . . . 187 GLU N . 52800 1 135 . 1 . 1 108 108 GLY H H 1 8.381 . . 1 . . . . . 188 GLY H . 52800 1 136 . 1 . 1 108 108 GLY N N 15 103.251 . . 1 . . . . . 188 GLY N . 52800 1 137 . 1 . 1 109 109 ARG H H 1 7.775 . . 1 . . . . . 189 ARG H . 52800 1 138 . 1 . 1 109 109 ARG N N 15 120.944 . . 1 . . . . . 189 ARG N . 52800 1 139 . 1 . 1 110 110 VAL H H 1 8.214 . . 1 . . . . . 190 VAL H . 52800 1 140 . 1 . 1 110 110 VAL N N 15 121.087 . . 1 . . . . . 190 VAL N . 52800 1 141 . 1 . 1 111 111 TYR H H 1 9.411 . . 1 . . . . . 191 TYR H . 52800 1 142 . 1 . 1 111 111 TYR N N 15 129.452 . . 1 . . . . . 191 TYR N . 52800 1 143 . 1 . 1 112 112 HIS H H 1 8.360 . . 1 . . . . . 192 HIS H . 52800 1 144 . 1 . 1 112 112 HIS N N 15 120.653 . . 1 . . . . . 192 HIS N . 52800 1 145 . 1 . 1 113 113 TYR H H 1 9.643 . . 1 . . . . . 193 TYR H . 52800 1 146 . 1 . 1 113 113 TYR N N 15 122.077 . . 1 . . . . . 193 TYR N . 52800 1 147 . 1 . 1 114 114 ARG H H 1 8.781 . . 1 . . . . . 194 ARG H . 52800 1 148 . 1 . 1 114 114 ARG N N 15 125.695 . . 1 . . . . . 194 ARG N . 52800 1 149 . 1 . 1 115 115 ILE H H 1 8.272 . . 1 . . . . . 195 ILE H . 52800 1 150 . 1 . 1 115 115 ILE N N 15 123.342 . . 1 . . . . . 195 ILE N . 52800 1 151 . 1 . 1 116 116 ASN H H 1 8.727 . . 1 . . . . . 196 ASN H . 52800 1 152 . 1 . 1 116 116 ASN N N 15 129.000 . . 1 . . . . . 196 ASN N . 52800 1 153 . 1 . 1 117 117 THR H H 1 8.302 . . 1 . . . . . 197 THR H . 52800 1 154 . 1 . 1 117 117 THR N N 15 114.545 . . 1 . . . . . 197 THR N . 52800 1 155 . 1 . 1 120 120 ASP H H 1 7.830 . . 1 . . . . . 200 ASP H . 52800 1 156 . 1 . 1 120 120 ASP N N 15 118.580 . . 1 . . . . . 200 ASP N . 52800 1 157 . 1 . 1 121 121 GLY H H 1 8.128 . . 1 . . . . . 201 GLY H . 52800 1 158 . 1 . 1 121 121 GLY N N 15 108.587 . . 1 . . . . . 201 GLY N . 52800 1 159 . 1 . 1 122 122 LYS H H 1 7.503 . . 1 . . . . . 202 LYS H . 52800 1 160 . 1 . 1 122 122 LYS N N 15 119.703 . . 1 . . . . . 202 LYS N . 52800 1 161 . 1 . 1 123 123 LEU H H 1 9.182 . . 1 . . . . . 203 LEU H . 52800 1 162 . 1 . 1 123 123 LEU N N 15 120.279 . . 1 . . . . . 203 LEU N . 52800 1 163 . 1 . 1 124 124 TYR H H 1 8.686 . . 1 . . . . . 204 TYR H . 52800 1 164 . 1 . 1 124 124 TYR N N 15 114.975 . . 1 . . . . . 204 TYR N . 52800 1 165 . 1 . 1 126 126 SER H H 1 9.231 . . 1 . . . . . 206 SER H . 52800 1 166 . 1 . 1 126 126 SER N N 15 118.179 . . 1 . . . . . 206 SER N . 52800 1 167 . 1 . 1 128 128 GLU H H 1 8.430 . . 1 . . . . . 208 GLU H . 52800 1 168 . 1 . 1 128 128 GLU N N 15 117.199 . . 1 . . . . . 208 GLU N . 52800 1 169 . 1 . 1 129 129 SER H H 1 7.771 . . 1 . . . . . 209 SER H . 52800 1 170 . 1 . 1 129 129 SER N N 15 119.053 . . 1 . . . . . 209 SER N . 52800 1 171 . 1 . 1 130 130 ARG H H 1 7.570 . . 1 . . . . . 210 ARG H . 52800 1 172 . 1 . 1 130 130 ARG N N 15 120.493 . . 1 . . . . . 210 ARG N . 52800 1 173 . 1 . 1 131 131 PHE H H 1 9.116 . . 1 . . . . . 211 PHE H . 52800 1 174 . 1 . 1 131 131 PHE N N 15 118.459 . . 1 . . . . . 211 PHE N . 52800 1 175 . 1 . 1 133 133 THR H H 1 7.395 . . 1 . . . . . 213 THR H . 52800 1 176 . 1 . 1 133 133 THR N N 15 105.244 . . 1 . . . . . 213 THR N . 52800 1 177 . 1 . 1 135 135 ALA H H 1 8.883 . . 1 . . . . . 215 ALA H . 52800 1 178 . 1 . 1 135 135 ALA N N 15 120.296 . . 1 . . . . . 215 ALA N . 52800 1 179 . 1 . 1 136 136 GLU H H 1 7.548 . . 1 . . . . . 216 GLU H . 52800 1 180 . 1 . 1 136 136 GLU N N 15 117.792 . . 1 . . . . . 216 GLU N . 52800 1 181 . 1 . 1 137 137 LEU H H 1 7.183 . . 1 . . . . . 217 LEU H . 52800 1 182 . 1 . 1 137 137 LEU N N 15 123.847 . . 1 . . . . . 217 LEU N . 52800 1 183 . 1 . 1 138 138 VAL H H 1 8.058 . . 1 . . . . . 218 VAL H . 52800 1 184 . 1 . 1 138 138 VAL N N 15 120.098 . . 1 . . . . . 218 VAL N . 52800 1 185 . 1 . 1 139 139 HIS H H 1 7.882 . . 1 . . . . . 219 HIS H . 52800 1 186 . 1 . 1 139 139 HIS N N 15 119.034 . . 1 . . . . . 219 HIS N . 52800 1 187 . 1 . 1 140 140 HIS H H 1 7.900 . . 1 . . . . . 220 HIS H . 52800 1 188 . 1 . 1 140 140 HIS N N 15 121.236 . . 1 . . . . . 220 HIS N . 52800 1 189 . 1 . 1 141 141 HIS H H 1 7.688 . . 1 . . . . . 221 HIS H . 52800 1 190 . 1 . 1 141 141 HIS N N 15 115.806 . . 1 . . . . . 221 HIS N . 52800 1 191 . 1 . 1 142 142 SER H H 1 7.553 . . 1 . . . . . 222 SER H . 52800 1 192 . 1 . 1 142 142 SER N N 15 116.022 . . 1 . . . . . 222 SER N . 52800 1 193 . 1 . 1 143 143 THR H H 1 7.403 . . 1 . . . . . 223 THR H . 52800 1 194 . 1 . 1 143 143 THR N N 15 114.554 . . 1 . . . . . 223 THR N . 52800 1 195 . 1 . 1 144 144 VAL H H 1 7.622 . . 1 . . . . . 224 VAL H . 52800 1 196 . 1 . 1 144 144 VAL N N 15 121.421 . . 1 . . . . . 224 VAL N . 52800 1 197 . 1 . 1 145 145 ALA H H 1 8.237 . . 1 . . . . . 225 ALA H . 52800 1 198 . 1 . 1 145 145 ALA N N 15 128.223 . . 1 . . . . . 225 ALA N . 52800 1 199 . 1 . 1 146 146 ASP H H 1 8.335 . . 1 . . . . . 226 ASP H . 52800 1 200 . 1 . 1 146 146 ASP N N 15 116.940 . . 1 . . . . . 226 ASP N . 52800 1 201 . 1 . 1 147 147 GLY H H 1 8.184 . . 1 . . . . . 227 GLY H . 52800 1 202 . 1 . 1 147 147 GLY N N 15 105.898 . . 1 . . . . . 227 GLY N . 52800 1 203 . 1 . 1 148 148 LEU H H 1 7.239 . . 1 . . . . . 228 LEU H . 52800 1 204 . 1 . 1 148 148 LEU N N 15 120.214 . . 1 . . . . . 228 LEU N . 52800 1 205 . 1 . 1 149 149 ILE H H 1 7.093 . . 1 . . . . . 229 ILE H . 52800 1 206 . 1 . 1 149 149 ILE N N 15 118.827 . . 1 . . . . . 229 ILE N . 52800 1 207 . 1 . 1 150 150 THR H H 1 6.763 . . 1 . . . . . 230 THR H . 52800 1 208 . 1 . 1 150 150 THR N N 15 111.700 . . 1 . . . . . 230 THR N . 52800 1 209 . 1 . 1 151 151 THR H H 1 7.243 . . 1 . . . . . 231 THR H . 52800 1 210 . 1 . 1 151 151 THR N N 15 107.118 . . 1 . . . . . 231 THR N . 52800 1 211 . 1 . 1 152 152 LEU H H 1 7.522 . . 1 . . . . . 232 LEU H . 52800 1 212 . 1 . 1 152 152 LEU N N 15 118.204 . . 1 . . . . . 232 LEU N . 52800 1 213 . 1 . 1 156 156 ALA H H 1 8.750 . . 1 . . . . . 236 ALA H . 52800 1 214 . 1 . 1 156 156 ALA N N 15 130.518 . . 1 . . . . . 236 ALA N . 52800 1 215 . 1 . 1 175 175 GLU H H 1 7.445 . . 1 . . . . . 255 GLU H . 52800 1 216 . 1 . 1 175 175 GLU N N 15 120.744 . . 1 . . . . . 255 GLU N . 52800 1 217 . 1 . 1 180 180 ASP H H 1 7.960 . . 1 . . . . . 260 ASP H . 52800 1 218 . 1 . 1 180 180 ASP N N 15 121.483 . . 1 . . . . . 260 ASP N . 52800 1 219 . 1 . 1 182 182 THR H H 1 8.978 . . 1 . . . . . 262 THR H . 52800 1 220 . 1 . 1 182 182 THR N N 15 124.495 . . 1 . . . . . 262 THR N . 52800 1 221 . 1 . 1 183 183 MET H H 1 8.777 . . 1 . . . . . 263 MET H . 52800 1 222 . 1 . 1 183 183 MET N N 15 127.641 . . 1 . . . . . 263 MET N . 52800 1 223 . 1 . 1 184 184 LYS H H 1 8.777 . . 1 . . . . . 264 LYS H . 52800 1 224 . 1 . 1 184 184 LYS N N 15 125.893 . . 1 . . . . . 264 LYS N . 52800 1 225 . 1 . 1 185 185 HIS H H 1 7.275 . . 1 . . . . . 265 HIS H . 52800 1 226 . 1 . 1 185 185 HIS N N 15 115.463 . . 1 . . . . . 265 HIS N . 52800 1 227 . 1 . 1 190 190 GLY H H 1 7.572 . . 1 . . . . . 270 GLY H . 52800 1 228 . 1 . 1 190 190 GLY N N 15 104.634 . . 1 . . . . . 270 GLY N . 52800 1 229 . 1 . 1 191 191 GLN H H 1 7.441 . . 1 . . . . . 271 GLN H . 52800 1 230 . 1 . 1 191 191 GLN N N 15 120.338 . . 1 . . . . . 271 GLN N . 52800 1 231 . 1 . 1 192 192 TYR H H 1 8.219 . . 1 . . . . . 272 TYR H . 52800 1 232 . 1 . 1 192 192 TYR N N 15 114.795 . . 1 . . . . . 272 TYR N . 52800 1 233 . 1 . 1 193 193 GLY H H 1 7.690 . . 1 . . . . . 273 GLY H . 52800 1 234 . 1 . 1 193 193 GLY N N 15 108.338 . . 1 . . . . . 273 GLY N . 52800 1 235 . 1 . 1 195 195 VAL H H 1 7.637 . . 1 . . . . . 275 VAL H . 52800 1 236 . 1 . 1 195 195 VAL N N 15 121.802 . . 1 . . . . . 275 VAL N . 52800 1 237 . 1 . 1 196 196 TYR H H 1 9.414 . . 1 . . . . . 276 TYR H . 52800 1 238 . 1 . 1 196 196 TYR N N 15 127.022 . . 1 . . . . . 276 TYR N . 52800 1 239 . 1 . 1 197 197 GLU H H 1 8.415 . . 1 . . . . . 277 GLU H . 52800 1 240 . 1 . 1 197 197 GLU N N 15 123.124 . . 1 . . . . . 277 GLU N . 52800 1 241 . 1 . 1 198 198 GLY H H 1 8.727 . . 1 . . . . . 278 GLY H . 52800 1 242 . 1 . 1 198 198 GLY N N 15 113.903 . . 1 . . . . . 278 GLY N . 52800 1 243 . 1 . 1 199 199 VAL H H 1 8.656 . . 1 . . . . . 279 VAL H . 52800 1 244 . 1 . 1 199 199 VAL N N 15 118.425 . . 1 . . . . . 279 VAL N . 52800 1 245 . 1 . 1 200 200 TRP H H 1 9.662 . . 1 . . . . . 280 TRP H . 52800 1 246 . 1 . 1 200 200 TRP N N 15 130.107 . . 1 . . . . . 280 TRP N . 52800 1 247 . 1 . 1 201 201 LYS H H 1 8.829 . . 1 . . . . . 281 LYS H . 52800 1 248 . 1 . 1 201 201 LYS N N 15 129.277 . . 1 . . . . . 281 LYS N . 52800 1 249 . 1 . 1 203 203 TYR H H 1 5.952 . . 1 . . . . . 283 TYR H . 52800 1 250 . 1 . 1 203 203 TYR N N 15 112.369 . . 1 . . . . . 283 TYR N . 52800 1 251 . 1 . 1 204 204 SER H H 1 7.763 . . 1 . . . . . 284 SER H . 52800 1 252 . 1 . 1 204 204 SER N N 15 115.701 . . 1 . . . . . 284 SER N . 52800 1 253 . 1 . 1 205 205 LEU H H 1 7.136 . . 1 . . . . . 285 LEU H . 52800 1 254 . 1 . 1 205 205 LEU N N 15 120.005 . . 1 . . . . . 285 LEU N . 52800 1 255 . 1 . 1 206 206 THR H H 1 8.915 . . 1 . . . . . 286 THR H . 52800 1 256 . 1 . 1 206 206 THR N N 15 126.364 . . 1 . . . . . 286 THR N . 52800 1 257 . 1 . 1 207 207 VAL H H 1 8.620 . . 1 . . . . . 287 VAL H . 52800 1 258 . 1 . 1 207 207 VAL N N 15 119.501 . . 1 . . . . . 287 VAL N . 52800 1 259 . 1 . 1 208 208 ALA H H 1 8.440 . . 1 . . . . . 288 ALA H . 52800 1 260 . 1 . 1 208 208 ALA N N 15 123.489 . . 1 . . . . . 288 ALA N . 52800 1 261 . 1 . 1 209 209 VAL H H 1 8.964 . . 1 . . . . . 289 VAL H . 52800 1 262 . 1 . 1 209 209 VAL N N 15 121.076 . . 1 . . . . . 289 VAL N . 52800 1 263 . 1 . 1 210 210 LYS H H 1 9.669 . . 1 . . . . . 290 LYS H . 52800 1 264 . 1 . 1 210 210 LYS N N 15 130.969 . . 1 . . . . . 290 LYS N . 52800 1 265 . 1 . 1 211 211 THR H H 1 8.655 . . 1 . . . . . 291 THR H . 52800 1 266 . 1 . 1 211 211 THR N N 15 119.867 . . 1 . . . . . 291 THR N . 52800 1 267 . 1 . 1 215 215 ASP H H 1 8.434 . . 1 . . . . . 295 ASP H . 52800 1 268 . 1 . 1 215 215 ASP N N 15 118.056 . . 1 . . . . . 295 ASP N . 52800 1 269 . 1 . 1 216 216 THR H H 1 7.643 . . 1 . . . . . 296 THR H . 52800 1 270 . 1 . 1 216 216 THR N N 15 112.158 . . 1 . . . . . 296 THR N . 52800 1 271 . 1 . 1 222 222 PHE H H 1 7.991 . . 1 . . . . . 302 PHE H . 52800 1 272 . 1 . 1 222 222 PHE N N 15 124.891 . . 1 . . . . . 302 PHE N . 52800 1 273 . 1 . 1 223 223 LEU H H 1 8.453 . . 1 . . . . . 303 LEU H . 52800 1 274 . 1 . 1 223 223 LEU N N 15 117.360 . . 1 . . . . . 303 LEU N . 52800 1 275 . 1 . 1 224 224 LYS H H 1 8.069 . . 1 . . . . . 304 LYS H . 52800 1 276 . 1 . 1 224 224 LYS N N 15 122.406 . . 1 . . . . . 304 LYS N . 52800 1 277 . 1 . 1 225 225 GLU H H 1 7.746 . . 1 . . . . . 305 GLU H . 52800 1 278 . 1 . 1 225 225 GLU N N 15 122.749 . . 1 . . . . . 305 GLU N . 52800 1 279 . 1 . 1 226 226 ALA H H 1 7.569 . . 1 . . . . . 306 ALA H . 52800 1 280 . 1 . 1 226 226 ALA N N 15 120.172 . . 1 . . . . . 306 ALA N . 52800 1 281 . 1 . 1 227 227 ALA H H 1 7.518 . . 1 . . . . . 307 ALA H . 52800 1 282 . 1 . 1 227 227 ALA N N 15 116.576 . . 1 . . . . . 307 ALA N . 52800 1 283 . 1 . 1 229 229 MET H H 1 7.804 . . 1 . . . . . 309 MET H . 52800 1 284 . 1 . 1 229 229 MET N N 15 118.545 . . 1 . . . . . 309 MET N . 52800 1 285 . 1 . 1 230 230 LYS H H 1 7.159 . . 1 . . . . . 310 LYS H . 52800 1 286 . 1 . 1 230 230 LYS N N 15 117.209 . . 1 . . . . . 310 LYS N . 52800 1 287 . 1 . 1 231 231 GLU H H 1 7.354 . . 1 . . . . . 311 GLU H . 52800 1 288 . 1 . 1 231 231 GLU N N 15 115.755 . . 1 . . . . . 311 GLU N . 52800 1 289 . 1 . 1 232 232 ILE H H 1 7.137 . . 1 . . . . . 312 ILE H . 52800 1 290 . 1 . 1 232 232 ILE N N 15 118.643 . . 1 . . . . . 312 ILE N . 52800 1 291 . 1 . 1 234 234 HIS H H 1 8.413 . . 1 . . . . . 314 HIS H . 52800 1 292 . 1 . 1 234 234 HIS N N 15 126.838 . . 1 . . . . . 314 HIS N . 52800 1 293 . 1 . 1 236 236 ASN H H 1 11.146 . . 1 . . . . . 316 ASN H . 52800 1 294 . 1 . 1 236 236 ASN N N 15 116.888 . . 1 . . . . . 316 ASN N . 52800 1 295 . 1 . 1 237 237 LEU H H 1 7.811 . . 1 . . . . . 317 LEU H . 52800 1 296 . 1 . 1 237 237 LEU N N 15 121.858 . . 1 . . . . . 317 LEU N . 52800 1 297 . 1 . 1 238 238 VAL H H 1 7.641 . . 1 . . . . . 318 VAL H . 52800 1 298 . 1 . 1 238 238 VAL N N 15 122.385 . . 1 . . . . . 318 VAL N . 52800 1 299 . 1 . 1 239 239 GLN H H 1 9.213 . . 1 . . . . . 319 GLN H . 52800 1 300 . 1 . 1 239 239 GLN N N 15 127.790 . . 1 . . . . . 319 GLN N . 52800 1 301 . 1 . 1 241 241 LEU H H 1 9.377 . . 1 . . . . . 321 LEU H . 52800 1 302 . 1 . 1 241 241 LEU N N 15 126.580 . . 1 . . . . . 321 LEU N . 52800 1 303 . 1 . 1 244 244 CYS H H 1 8.822 . . 1 . . . . . 324 CYS H . 52800 1 304 . 1 . 1 244 244 CYS N N 15 119.559 . . 1 . . . . . 324 CYS N . 52800 1 305 . 1 . 1 247 247 GLU H H 1 7.517 . . 1 . . . . . 327 GLU H . 52800 1 306 . 1 . 1 247 247 GLU N N 15 114.859 . . 1 . . . . . 327 GLU N . 52800 1 307 . 1 . 1 251 251 TYR H H 1 8.983 . . 1 . . . . . 331 TYR H . 52800 1 308 . 1 . 1 251 251 TYR N N 15 118.349 . . 1 . . . . . 331 TYR N . 52800 1 309 . 1 . 1 252 252 ILE H H 1 9.091 . . 1 . . . . . 332 ILE H . 52800 1 310 . 1 . 1 252 252 ILE N N 15 120.964 . . 1 . . . . . 332 ILE N . 52800 1 311 . 1 . 1 253 253 ILE H H 1 8.681 . . 1 . . . . . 333 ILE H . 52800 1 312 . 1 . 1 253 253 ILE N N 15 127.946 . . 1 . . . . . 333 ILE N . 52800 1 313 . 1 . 1 254 254 THR H H 1 9.473 . . 1 . . . . . 334 THR H . 52800 1 314 . 1 . 1 254 254 THR N N 15 117.847 . . 1 . . . . . 334 THR N . 52800 1 315 . 1 . 1 259 259 TYR H H 1 7.883 . . 1 . . . . . 339 TYR H . 52800 1 316 . 1 . 1 259 259 TYR N N 15 116.423 . . 1 . . . . . 339 TYR N . 52800 1 317 . 1 . 1 260 260 GLY H H 1 7.502 . . 1 . . . . . 340 GLY H . 52800 1 318 . 1 . 1 260 260 GLY N N 15 105.826 . . 1 . . . . . 340 GLY N . 52800 1 319 . 1 . 1 261 261 ASN H H 1 8.058 . . 1 . . . . . 341 ASN H . 52800 1 320 . 1 . 1 261 261 ASN N N 15 118.611 . . 1 . . . . . 341 ASN N . 52800 1 321 . 1 . 1 263 263 LEU H H 1 7.244 . . 1 . . . . . 343 LEU H . 52800 1 322 . 1 . 1 263 263 LEU N N 15 120.834 . . 1 . . . . . 343 LEU N . 52800 1 323 . 1 . 1 264 264 ASP H H 1 8.026 . . 1 . . . . . 344 ASP H . 52800 1 324 . 1 . 1 264 264 ASP N N 15 117.976 . . 1 . . . . . 344 ASP N . 52800 1 325 . 1 . 1 267 267 ARG H H 1 7.692 . . 1 . . . . . 347 ARG H . 52800 1 326 . 1 . 1 267 267 ARG N N 15 116.057 . . 1 . . . . . 347 ARG N . 52800 1 327 . 1 . 1 268 268 GLU H H 1 7.447 . . 1 . . . . . 348 GLU H . 52800 1 328 . 1 . 1 268 268 GLU N N 15 115.661 . . 1 . . . . . 348 GLU N . 52800 1 329 . 1 . 1 269 269 CYS H H 1 7.253 . . 1 . . . . . 349 CYS H . 52800 1 330 . 1 . 1 269 269 CYS N N 15 117.590 . . 1 . . . . . 349 CYS N . 52800 1 331 . 1 . 1 270 270 ASN H H 1 8.473 . . 1 . . . . . 350 ASN H . 52800 1 332 . 1 . 1 270 270 ASN N N 15 118.997 . . 1 . . . . . 350 ASN N . 52800 1 333 . 1 . 1 272 272 GLN H H 1 8.004 . . 1 . . . . . 352 GLN H . 52800 1 334 . 1 . 1 272 272 GLN N N 15 116.521 . . 1 . . . . . 352 GLN N . 52800 1 335 . 1 . 1 273 273 GLU H H 1 7.152 . . 1 . . . . . 353 GLU H . 52800 1 336 . 1 . 1 273 273 GLU N N 15 118.887 . . 1 . . . . . 353 GLU N . 52800 1 337 . 1 . 1 275 275 ASN H H 1 6.763 . . 1 . . . . . 355 ASN H . 52800 1 338 . 1 . 1 275 275 ASN N N 15 120.892 . . 1 . . . . . 355 ASN N . 52800 1 339 . 1 . 1 281 281 TYR H H 1 8.473 . . 1 . . . . . 361 TYR H . 52800 1 340 . 1 . 1 281 281 TYR N N 15 125.022 . . 1 . . . . . 361 TYR N . 52800 1 341 . 1 . 1 283 283 ALA H H 1 7.864 . . 1 . . . . . 363 ALA H . 52800 1 342 . 1 . 1 283 283 ALA N N 15 120.363 . . 1 . . . . . 363 ALA N . 52800 1 343 . 1 . 1 292 292 TYR H H 1 7.349 . . 1 . . . . . 372 TYR H . 52800 1 344 . 1 . 1 292 292 TYR N N 15 122.219 . . 1 . . . . . 372 TYR N . 52800 1 345 . 1 . 1 295 295 LYS H H 1 8.133 . . 1 . . . . . 375 LYS H . 52800 1 346 . 1 . 1 295 295 LYS N N 15 122.405 . . 1 . . . . . 375 LYS N . 52800 1 347 . 1 . 1 296 296 LYS H H 1 7.455 . . 1 . . . . . 376 LYS H . 52800 1 348 . 1 . 1 296 296 LYS N N 15 118.122 . . 1 . . . . . 376 LYS N . 52800 1 349 . 1 . 1 297 297 ASN H H 1 7.822 . . 1 . . . . . 377 ASN H . 52800 1 350 . 1 . 1 297 297 ASN N N 15 114.773 . . 1 . . . . . 377 ASN N . 52800 1 351 . 1 . 1 298 298 PHE H H 1 8.158 . . 1 . . . . . 378 PHE H . 52800 1 352 . 1 . 1 298 298 PHE N N 15 118.010 . . 1 . . . . . 378 PHE N . 52800 1 353 . 1 . 1 299 299 ILE H H 1 7.899 . . 1 . . . . . 379 ILE H . 52800 1 354 . 1 . 1 299 299 ILE N N 15 115.039 . . 1 . . . . . 379 ILE N . 52800 1 355 . 1 . 1 302 302 ASP H H 1 10.775 . . 1 . . . . . 382 ASP H . 52800 1 356 . 1 . 1 302 302 ASP N N 15 127.619 . . 1 . . . . . 382 ASP N . 52800 1 357 . 1 . 1 303 303 LEU H H 1 9.440 . . 1 . . . . . 383 LEU H . 52800 1 358 . 1 . 1 303 303 LEU N N 15 126.098 . . 1 . . . . . 383 LEU N . 52800 1 359 . 1 . 1 304 304 ALA H H 1 6.629 . . 1 . . . . . 384 ALA H . 52800 1 360 . 1 . 1 304 304 ALA N N 15 121.772 . . 1 . . . . . 384 ALA N . 52800 1 361 . 1 . 1 305 305 ALA H H 1 10.201 . . 1 . . . . . 385 ALA H . 52800 1 362 . 1 . 1 305 305 ALA N N 15 130.028 . . 1 . . . . . 385 ALA N . 52800 1 363 . 1 . 1 306 306 ARG H H 1 9.494 . . 1 . . . . . 386 ARG H . 52800 1 364 . 1 . 1 306 306 ARG N N 15 114.553 . . 1 . . . . . 386 ARG N . 52800 1 365 . 1 . 1 307 307 ASN H H 1 7.328 . . 1 . . . . . 387 ASN H . 52800 1 366 . 1 . 1 307 307 ASN N N 15 118.500 . . 1 . . . . . 387 ASN N . 52800 1 367 . 1 . 1 308 308 CYS H H 1 7.514 . . 1 . . . . . 388 CYS H . 52800 1 368 . 1 . 1 308 308 CYS N N 15 113.720 . . 1 . . . . . 388 CYS N . 52800 1 369 . 1 . 1 309 309 LEU H H 1 9.278 . . 1 . . . . . 389 LEU H . 52800 1 370 . 1 . 1 309 309 LEU N N 15 122.927 . . 1 . . . . . 389 LEU N . 52800 1 371 . 1 . 1 310 310 VAL H H 1 8.298 . . 1 . . . . . 390 VAL H . 52800 1 372 . 1 . 1 310 310 VAL N N 15 119.541 . . 1 . . . . . 390 VAL N . 52800 1 373 . 1 . 1 311 311 GLY H H 1 9.283 . . 1 . . . . . 391 GLY H . 52800 1 374 . 1 . 1 311 311 GLY N N 15 116.144 . . 1 . . . . . 391 GLY N . 52800 1 375 . 1 . 1 312 312 GLU H H 1 8.545 . . 1 . . . . . 392 GLU H . 52800 1 376 . 1 . 1 312 312 GLU N N 15 119.032 . . 1 . . . . . 392 GLU N . 52800 1 377 . 1 . 1 315 315 LEU H H 1 6.550 . . 1 . . . . . 395 LEU H . 52800 1 378 . 1 . 1 315 315 LEU N N 15 119.975 . . 1 . . . . . 395 LEU N . 52800 1 379 . 1 . 1 316 316 VAL H H 1 8.345 . . 1 . . . . . 396 VAL H . 52800 1 380 . 1 . 1 316 316 VAL N N 15 125.834 . . 1 . . . . . 396 VAL N . 52800 1 381 . 1 . 1 318 318 VAL H H 1 8.787 . . 1 . . . . . 398 VAL H . 52800 1 382 . 1 . 1 318 318 VAL N N 15 124.981 . . 1 . . . . . 398 VAL N . 52800 1 383 . 1 . 1 320 320 ASP H H 1 7.315 . . 1 . . . . . 400 ASP H . 52800 1 384 . 1 . 1 320 320 ASP N N 15 116.561 . . 1 . . . . . 400 ASP N . 52800 1 385 . 1 . 1 321 321 PHE H H 1 7.759 . . 1 . . . . . 401 PHE H . 52800 1 386 . 1 . 1 321 321 PHE N N 15 123.343 . . 1 . . . . . 401 PHE N . 52800 1 387 . 1 . 1 322 322 GLY H H 1 8.315 . . 1 . . . . . 402 GLY H . 52800 1 388 . 1 . 1 322 322 GLY N N 15 111.265 . . 1 . . . . . 402 GLY N . 52800 1 389 . 1 . 1 324 324 SER H H 1 8.061 . . 1 . . . . . 404 SER H . 52800 1 390 . 1 . 1 324 324 SER N N 15 115.357 . . 1 . . . . . 404 SER N . 52800 1 391 . 1 . 1 331 331 THR H H 1 8.163 . . 1 . . . . . 411 THR H . 52800 1 392 . 1 . 1 331 331 THR N N 15 117.483 . . 1 . . . . . 411 THR N . 52800 1 393 . 1 . 1 337 337 GLY H H 1 8.337 . . 1 . . . . . 417 GLY H . 52800 1 394 . 1 . 1 337 337 GLY N N 15 107.313 . . 1 . . . . . 417 GLY N . 52800 1 395 . 1 . 1 338 338 ALA H H 1 8.071 . . 1 . . . . . 418 ALA H . 52800 1 396 . 1 . 1 338 338 ALA N N 15 125.525 . . 1 . . . . . 418 ALA N . 52800 1 397 . 1 . 1 345 345 THR H H 1 7.430 . . 1 . . . . . 425 THR H . 52800 1 398 . 1 . 1 345 345 THR N N 15 116.839 . . 1 . . . . . 425 THR N . 52800 1 399 . 1 . 1 346 346 ALA H H 1 8.444 . . 1 . . . . . 426 ALA H . 52800 1 400 . 1 . 1 346 346 ALA N N 15 129.936 . . 1 . . . . . 426 ALA N . 52800 1 401 . 1 . 1 348 348 GLU H H 1 9.653 . . 1 . . . . . 428 GLU H . 52800 1 402 . 1 . 1 348 348 GLU N N 15 117.351 . . 1 . . . . . 428 GLU N . 52800 1 403 . 1 . 1 349 349 SER H H 1 7.006 . . 1 . . . . . 429 SER H . 52800 1 404 . 1 . 1 349 349 SER N N 15 123.007 . . 1 . . . . . 429 SER N . 52800 1 405 . 1 . 1 351 351 ALA H H 1 8.023 . . 1 . . . . . 431 ALA H . 52800 1 406 . 1 . 1 351 351 ALA N N 15 117.495 . . 1 . . . . . 431 ALA N . 52800 1 407 . 1 . 1 352 352 TYR H H 1 6.948 . . 1 . . . . . 432 TYR H . 52800 1 408 . 1 . 1 352 352 TYR N N 15 111.841 . . 1 . . . . . 432 TYR N . 52800 1 409 . 1 . 1 354 354 LYS H H 1 6.950 . . 1 . . . . . 434 LYS H . 52800 1 410 . 1 . 1 354 354 LYS N N 15 117.517 . . 1 . . . . . 434 LYS N . 52800 1 411 . 1 . 1 356 356 SER H H 1 9.796 . . 1 . . . . . 436 SER H . 52800 1 412 . 1 . 1 356 356 SER N N 15 118.097 . . 1 . . . . . 436 SER N . 52800 1 413 . 1 . 1 360 360 ASP H H 1 7.768 . . 1 . . . . . 440 ASP H . 52800 1 414 . 1 . 1 360 360 ASP N N 15 128.604 . . 1 . . . . . 440 ASP N . 52800 1 415 . 1 . 1 361 361 VAL H H 1 8.139 . . 1 . . . . . 441 VAL H . 52800 1 416 . 1 . 1 361 361 VAL N N 15 123.573 . . 1 . . . . . 441 VAL N . 52800 1 417 . 1 . 1 363 363 ALA H H 1 7.915 . . 1 . . . . . 443 ALA H . 52800 1 418 . 1 . 1 363 363 ALA N N 15 122.467 . . 1 . . . . . 443 ALA N . 52800 1 419 . 1 . 1 364 364 PHE H H 1 9.448 . . 1 . . . . . 444 PHE H . 52800 1 420 . 1 . 1 364 364 PHE N N 15 120.559 . . 1 . . . . . 444 PHE N . 52800 1 421 . 1 . 1 367 367 LEU H H 1 9.190 . . 1 . . . . . 447 LEU H . 52800 1 422 . 1 . 1 367 367 LEU N N 15 125.183 . . 1 . . . . . 447 LEU N . 52800 1 423 . 1 . 1 374 374 TYR H H 1 7.892 . . 1 . . . . . 454 TYR H . 52800 1 424 . 1 . 1 374 374 TYR N N 15 117.166 . . 1 . . . . . 454 TYR N . 52800 1 425 . 1 . 1 375 375 GLY H H 1 9.555 . . 1 . . . . . 455 GLY H . 52800 1 426 . 1 . 1 375 375 GLY N N 15 104.254 . . 1 . . . . . 455 GLY N . 52800 1 427 . 1 . 1 376 376 MET H H 1 7.513 . . 1 . . . . . 456 MET H . 52800 1 428 . 1 . 1 376 376 MET N N 15 120.949 . . 1 . . . . . 456 MET N . 52800 1 429 . 1 . 1 377 377 SER H H 1 8.272 . . 1 . . . . . 457 SER H . 52800 1 430 . 1 . 1 377 377 SER N N 15 118.033 . . 1 . . . . . 457 SER N . 52800 1 431 . 1 . 1 379 379 TYR H H 1 7.042 . . 1 . . . . . 459 TYR H . 52800 1 432 . 1 . 1 379 379 TYR N N 15 115.033 . . 1 . . . . . 459 TYR N . 52800 1 433 . 1 . 1 382 382 ILE H H 1 7.400 . . 1 . . . . . 462 ILE H . 52800 1 434 . 1 . 1 382 382 ILE N N 15 120.673 . . 1 . . . . . 462 ILE N . 52800 1 435 . 1 . 1 383 383 ASP H H 1 8.548 . . 1 . . . . . 463 ASP H . 52800 1 436 . 1 . 1 383 383 ASP N N 15 128.359 . . 1 . . . . . 463 ASP N . 52800 1 437 . 1 . 1 384 384 LEU H H 1 8.509 . . 1 . . . . . 464 LEU H . 52800 1 438 . 1 . 1 384 384 LEU N N 15 125.771 . . 1 . . . . . 464 LEU N . 52800 1 439 . 1 . 1 385 385 SER H H 1 8.454 . . 1 . . . . . 465 SER H . 52800 1 440 . 1 . 1 385 385 SER N N 15 112.758 . . 1 . . . . . 465 SER N . 52800 1 441 . 1 . 1 386 386 GLN H H 1 7.840 . . 1 . . . . . 466 GLN H . 52800 1 442 . 1 . 1 386 386 GLN N N 15 119.802 . . 1 . . . . . 466 GLN N . 52800 1 443 . 1 . 1 387 387 VAL H H 1 6.836 . . 1 . . . . . 467 VAL H . 52800 1 444 . 1 . 1 387 387 VAL N N 15 119.351 . . 1 . . . . . 467 VAL N . 52800 1 445 . 1 . 1 388 388 TYR H H 1 8.604 . . 1 . . . . . 468 TYR H . 52800 1 446 . 1 . 1 388 388 TYR N N 15 119.968 . . 1 . . . . . 468 TYR N . 52800 1 447 . 1 . 1 389 389 GLU H H 1 8.201 . . 1 . . . . . 469 GLU H . 52800 1 448 . 1 . 1 389 389 GLU N N 15 117.915 . . 1 . . . . . 469 GLU N . 52800 1 449 . 1 . 1 390 390 LEU H H 1 7.687 . . 1 . . . . . 470 LEU H . 52800 1 450 . 1 . 1 390 390 LEU N N 15 119.553 . . 1 . . . . . 470 LEU N . 52800 1 451 . 1 . 1 391 391 LEU H H 1 8.441 . . 1 . . . . . 471 LEU H . 52800 1 452 . 1 . 1 391 391 LEU N N 15 121.442 . . 1 . . . . . 471 LEU N . 52800 1 453 . 1 . 1 392 392 GLU H H 1 8.543 . . 1 . . . . . 472 GLU H . 52800 1 454 . 1 . 1 392 392 GLU N N 15 122.969 . . 1 . . . . . 472 GLU N . 52800 1 455 . 1 . 1 393 393 LYS H H 1 7.201 . . 1 . . . . . 473 LYS H . 52800 1 456 . 1 . 1 393 393 LYS N N 15 118.755 . . 1 . . . . . 473 LYS N . 52800 1 457 . 1 . 1 394 394 ASP H H 1 7.678 . . 1 . . . . . 474 ASP H . 52800 1 458 . 1 . 1 394 394 ASP N N 15 113.305 . . 1 . . . . . 474 ASP N . 52800 1 459 . 1 . 1 395 395 TYR H H 1 8.069 . . 1 . . . . . 475 TYR H . 52800 1 460 . 1 . 1 395 395 TYR N N 15 121.451 . . 1 . . . . . 475 TYR N . 52800 1 461 . 1 . 1 396 396 ARG H H 1 6.829 . . 1 . . . . . 476 ARG H . 52800 1 462 . 1 . 1 396 396 ARG N N 15 125.831 . . 1 . . . . . 476 ARG N . 52800 1 463 . 1 . 1 398 398 GLU H H 1 8.441 . . 1 . . . . . 478 GLU H . 52800 1 464 . 1 . 1 398 398 GLU N N 15 121.189 . . 1 . . . . . 478 GLU N . 52800 1 465 . 1 . 1 399 399 ARG H H 1 8.208 . . 1 . . . . . 479 ARG H . 52800 1 466 . 1 . 1 399 399 ARG N N 15 125.139 . . 1 . . . . . 479 ARG N . 52800 1 467 . 1 . 1 408 408 TYR H H 1 7.772 . . 1 . . . . . 488 TYR H . 52800 1 468 . 1 . 1 408 408 TYR N N 15 121.795 . . 1 . . . . . 488 TYR N . 52800 1 469 . 1 . 1 410 410 LEU H H 1 6.873 . . 1 . . . . . 490 LEU H . 52800 1 470 . 1 . 1 410 410 LEU N N 15 121.787 . . 1 . . . . . 490 LEU N . 52800 1 471 . 1 . 1 412 412 ARG H H 1 7.544 . . 1 . . . . . 492 ARG H . 52800 1 472 . 1 . 1 412 412 ARG N N 15 112.934 . . 1 . . . . . 492 ARG N . 52800 1 473 . 1 . 1 413 413 ALA H H 1 7.587 . . 1 . . . . . 493 ALA H . 52800 1 474 . 1 . 1 413 413 ALA N N 15 124.823 . . 1 . . . . . 493 ALA N . 52800 1 475 . 1 . 1 416 416 GLN H H 1 6.889 . . 1 . . . . . 496 GLN H . 52800 1 476 . 1 . 1 416 416 GLN N N 15 119.832 . . 1 . . . . . 496 GLN N . 52800 1 477 . 1 . 1 417 417 TRP H H 1 9.513 . . 1 . . . . . 497 TRP H . 52800 1 478 . 1 . 1 417 417 TRP N N 15 125.887 . . 1 . . . . . 497 TRP N . 52800 1 479 . 1 . 1 418 418 ASN H H 1 8.887 . . 1 . . . . . 498 ASN H . 52800 1 480 . 1 . 1 418 418 ASN N N 15 116.825 . . 1 . . . . . 498 ASN N . 52800 1 481 . 1 . 1 420 420 SER H H 1 7.797 . . 1 . . . . . 500 SER H . 52800 1 482 . 1 . 1 420 420 SER N N 15 109.194 . . 1 . . . . . 500 SER N . 52800 1 483 . 1 . 1 421 421 ASP H H 1 7.735 . . 1 . . . . . 501 ASP H . 52800 1 484 . 1 . 1 421 421 ASP N N 15 119.574 . . 1 . . . . . 501 ASP N . 52800 1 485 . 1 . 1 422 422 ARG H H 1 7.281 . . 1 . . . . . 502 ARG H . 52800 1 486 . 1 . 1 422 422 ARG N N 15 120.935 . . 1 . . . . . 502 ARG N . 52800 1 487 . 1 . 1 424 424 SER H H 1 7.924 . . 1 . . . . . 504 SER H . 52800 1 488 . 1 . 1 424 424 SER N N 15 110.875 . . 1 . . . . . 504 SER N . 52800 1 489 . 1 . 1 425 425 PHE H H 1 11.229 . . 1 . . . . . 505 PHE H . 52800 1 490 . 1 . 1 425 425 PHE N N 15 122.988 . . 1 . . . . . 505 PHE N . 52800 1 491 . 1 . 1 437 437 GLN H H 1 7.983 . . 1 . . . . . 517 GLN H . 52800 1 492 . 1 . 1 437 437 GLN N N 15 119.588 . . 1 . . . . . 517 GLN N . 52800 1 493 . 1 . 1 454 454 VAL H H 1 7.513 . . 1 . . . . . 534 VAL H . 52800 1 494 . 1 . 1 454 454 VAL N N 15 123.222 . . 1 . . . . . 534 VAL N . 52800 1 stop_ save_