################################### # 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 19091 _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' 1 $sample_1 isotropic 19091 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 ARG H H 1 9.5130 0.0000 . 1 . . . . 2 ARG H . 19091 1 2 . 1 1 2 2 ARG N N 15 125.4964 0.0000 . 1 . . . . 2 ARG N . 19091 1 3 . 1 1 3 3 ILE H H 1 8.2025 0.0000 . 1 . . . . 3 ILE H . 19091 1 4 . 1 1 3 3 ILE N N 15 124.3834 0.0000 . 1 . . . . 3 ILE N . 19091 1 5 . 1 1 4 4 ILE H H 1 8.6041 0.0000 . 1 . . . . 4 ILE H . 19091 1 6 . 1 1 4 4 ILE N N 15 126.4520 0.0000 . 1 . . . . 4 ILE N . 19091 1 7 . 1 1 5 5 LEU H H 1 8.2733 0.0000 . 1 . . . . 5 LEU H . 19091 1 8 . 1 1 5 5 LEU N N 15 124.8518 0.0000 . 1 . . . . 5 LEU N . 19091 1 9 . 1 1 6 6 LEU H H 1 9.3432 0.0000 . 1 . . . . 6 LEU H . 19091 1 10 . 1 1 6 6 LEU N N 15 126.6426 0.0000 . 1 . . . . 6 LEU N . 19091 1 11 . 1 1 7 7 GLY H H 1 8.9005 0.0000 . 1 . . . . 7 GLY H . 19091 1 12 . 1 1 7 7 GLY N N 15 110.1241 0.0000 . 1 . . . . 7 GLY N . 19091 1 13 . 1 1 8 8 ALA H H 1 8.8134 0.0000 . 1 . . . . 8 ALA H . 19091 1 14 . 1 1 8 8 ALA N N 15 128.3076 0.0000 . 1 . . . . 8 ALA N . 19091 1 15 . 1 1 12 12 GLY H H 1 8.1942 0.0000 . 1 . . . . 12 GLY H . 19091 1 16 . 1 1 12 12 GLY N N 15 107.3877 0.0000 . 1 . . . . 12 GLY N . 19091 1 17 . 1 1 16 16 GLN H H 1 7.8875 0.0000 . 1 . . . . 16 GLN H . 19091 1 18 . 1 1 16 16 GLN N N 15 118.4423 0.0000 . 1 . . . . 16 GLN N . 19091 1 19 . 1 1 17 17 ALA H H 1 9.3429 0.0000 . 1 . . . . 17 ALA H . 19091 1 20 . 1 1 17 17 ALA N N 15 124.8529 0.0000 . 1 . . . . 17 ALA N . 19091 1 21 . 1 1 18 18 GLN H H 1 7.1648 0.0000 . 1 . . . . 18 GLN H . 19091 1 22 . 1 1 18 18 GLN N N 15 114.9388 0.0000 . 1 . . . . 18 GLN N . 19091 1 23 . 1 1 19 19 PHE H H 1 6.6084 0.0000 . 1 . . . . 19 PHE H . 19091 1 24 . 1 1 19 19 PHE N N 15 118.3672 0.0000 . 1 . . . . 19 PHE N . 19091 1 25 . 1 1 21 21 MET H H 1 8.4429 0.0000 . 1 . . . . 21 MET H . 19091 1 26 . 1 1 21 21 MET N N 15 121.1158 0.0000 . 1 . . . . 21 MET N . 19091 1 27 . 1 1 22 22 GLU H H 1 7.4071 0.0000 . 1 . . . . 22 GLU H . 19091 1 28 . 1 1 22 22 GLU N N 15 118.9770 0.0000 . 1 . . . . 22 GLU N . 19091 1 29 . 1 1 23 23 LYS H H 1 7.9856 0.0000 . 1 . . . . 23 LYS H . 19091 1 30 . 1 1 23 23 LYS N N 15 119.5085 0.0000 . 1 . . . . 23 LYS N . 19091 1 31 . 1 1 24 24 TYR H H 1 8.2010 0.0000 . 1 . . . . 24 TYR H . 19091 1 32 . 1 1 24 24 TYR N N 15 114.0976 0.0000 . 1 . . . . 24 TYR N . 19091 1 33 . 1 1 25 25 GLY H H 1 7.6460 0.0000 . 1 . . . . 25 GLY H . 19091 1 34 . 1 1 25 25 GLY N N 15 110.0402 0.0000 . 1 . . . . 25 GLY N . 19091 1 35 . 1 1 26 26 ILE H H 1 6.7146 0.0000 . 1 . . . . 26 ILE H . 19091 1 36 . 1 1 26 26 ILE N N 15 113.2783 0.0000 . 1 . . . . 26 ILE N . 19091 1 37 . 1 1 28 28 GLN H H 1 7.9410 0.0000 . 1 . . . . 28 GLN H . 19091 1 38 . 1 1 28 28 GLN N N 15 121.9256 0.0000 . 1 . . . . 28 GLN N . 19091 1 39 . 1 1 29 29 ILE H H 1 9.6592 0.0000 . 1 . . . . 29 ILE H . 19091 1 40 . 1 1 29 29 ILE N N 15 132.8779 0.0000 . 1 . . . . 29 ILE N . 19091 1 41 . 1 1 30 30 SER H H 1 8.7113 0.0000 . 1 . . . . 30 SER H . 19091 1 42 . 1 1 30 30 SER N N 15 122.2262 0.0000 . 1 . . . . 30 SER N . 19091 1 43 . 1 1 32 32 GLY H H 1 9.9083 0.0000 . 1 . . . . 32 GLY H . 19091 1 44 . 1 1 32 32 GLY N N 15 111.6306 0.0000 . 1 . . . . 32 GLY N . 19091 1 45 . 1 1 35 35 LEU H H 1 8.5554 0.0000 . 1 . . . . 35 LEU H . 19091 1 46 . 1 1 35 35 LEU N N 15 122.9841 0.0000 . 1 . . . . 35 LEU N . 19091 1 47 . 1 1 37 37 ALA H H 1 7.9877 0.0000 . 1 . . . . 37 ALA H . 19091 1 48 . 1 1 37 37 ALA N N 15 123.4652 0.0000 . 1 . . . . 37 ALA N . 19091 1 49 . 1 1 38 38 ALA H H 1 7.7638 0.0000 . 1 . . . . 38 ALA H . 19091 1 50 . 1 1 38 38 ALA N N 15 124.1524 0.0000 . 1 . . . . 38 ALA N . 19091 1 51 . 1 1 39 39 VAL H H 1 8.1680 0.0000 . 1 . . . . 39 VAL H . 19091 1 52 . 1 1 39 39 VAL N N 15 120.3505 0.0000 . 1 . . . . 39 VAL N . 19091 1 53 . 1 1 40 40 LYS H H 1 7.8158 0.0000 . 1 . . . . 40 LYS H . 19091 1 54 . 1 1 40 40 LYS N N 15 121.5252 0.0000 . 1 . . . . 40 LYS N . 19091 1 55 . 1 1 41 41 SER H H 1 7.9767 0.0000 . 1 . . . . 41 SER H . 19091 1 56 . 1 1 41 41 SER N N 15 113.3621 0.0000 . 1 . . . . 41 SER N . 19091 1 57 . 1 1 42 42 GLY H H 1 7.7354 0.0000 . 1 . . . . 42 GLY H . 19091 1 58 . 1 1 42 42 GLY N N 15 110.8106 0.0000 . 1 . . . . 42 GLY N . 19091 1 59 . 1 1 43 43 SER H H 1 7.5724 0.0000 . 1 . . . . 43 SER H . 19091 1 60 . 1 1 43 43 SER N N 15 115.1352 0.0000 . 1 . . . . 43 SER N . 19091 1 61 . 1 1 44 44 GLU H H 1 8.9046 0.0000 . 1 . . . . 44 GLU H . 19091 1 62 . 1 1 44 44 GLU N N 15 122.7763 0.0000 . 1 . . . . 44 GLU N . 19091 1 63 . 1 1 45 45 LEU H H 1 8.1294 0.0000 . 1 . . . . 45 LEU H . 19091 1 64 . 1 1 45 45 LEU N N 15 120.9271 0.0000 . 1 . . . . 45 LEU N . 19091 1 65 . 1 1 46 46 GLY H H 1 7.6909 0.0000 . 1 . . . . 46 GLY H . 19091 1 66 . 1 1 46 46 GLY N N 15 107.5909 0.0000 . 1 . . . . 46 GLY N . 19091 1 67 . 1 1 47 47 LYS H H 1 8.2278 0.0000 . 1 . . . . 47 LYS H . 19091 1 68 . 1 1 47 47 LYS N N 15 121.6382 0.0000 . 1 . . . . 47 LYS N . 19091 1 69 . 1 1 48 48 GLN H H 1 7.6102 0.0000 . 1 . . . . 48 GLN H . 19091 1 70 . 1 1 48 48 GLN N N 15 117.7636 0.0000 . 1 . . . . 48 GLN N . 19091 1 71 . 1 1 49 49 ALA H H 1 8.0524 0.0000 . 1 . . . . 49 ALA H . 19091 1 72 . 1 1 49 49 ALA N N 15 120.4893 0.0000 . 1 . . . . 49 ALA N . 19091 1 73 . 1 1 50 50 LYS H H 1 7.8345 0.0000 . 1 . . . . 50 LYS H . 19091 1 74 . 1 1 50 50 LYS N N 15 118.8420 0.0000 . 1 . . . . 50 LYS N . 19091 1 75 . 1 1 51 51 ASP H H 1 8.2775 0.0000 . 1 . . . . 51 ASP H . 19091 1 76 . 1 1 51 51 ASP N N 15 117.0383 0.0000 . 1 . . . . 51 ASP N . 19091 1 77 . 1 1 52 52 ILE H H 1 7.2263 0.0000 . 1 . . . . 52 ILE H . 19091 1 78 . 1 1 52 52 ILE N N 15 122.0252 0.0000 . 1 . . . . 52 ILE N . 19091 1 79 . 1 1 53 53 MET H H 1 8.1542 0.0000 . 1 . . . . 53 MET H . 19091 1 80 . 1 1 53 53 MET N N 15 119.1278 0.0000 . 1 . . . . 53 MET N . 19091 1 81 . 1 1 54 54 ASP H H 1 8.4327 0.0000 . 1 . . . . 54 ASP H . 19091 1 82 . 1 1 54 54 ASP N N 15 121.2602 0.0000 . 1 . . . . 54 ASP N . 19091 1 83 . 1 1 55 55 ALA H H 1 7.1315 0.0000 . 1 . . . . 55 ALA H . 19091 1 84 . 1 1 55 55 ALA N N 15 120.0172 0.0000 . 1 . . . . 55 ALA N . 19091 1 85 . 1 1 56 56 GLY H H 1 7.9452 0.0000 . 1 . . . . 56 GLY H . 19091 1 86 . 1 1 56 56 GLY N N 15 106.9509 0.0000 . 1 . . . . 56 GLY N . 19091 1 87 . 1 1 57 57 LYS H H 1 7.2805 0.0000 . 1 . . . . 57 LYS H . 19091 1 88 . 1 1 57 57 LYS N N 15 119.0118 0.0000 . 1 . . . . 57 LYS N . 19091 1 89 . 1 1 60 60 THR H H 1 7.3513 0.0000 . 1 . . . . 60 THR H . 19091 1 90 . 1 1 60 60 THR N N 15 119.1952 0.0000 . 1 . . . . 60 THR N . 19091 1 91 . 1 1 61 61 ASP H H 1 8.7916 0.0000 . 1 . . . . 61 ASP H . 19091 1 92 . 1 1 61 61 ASP N N 15 126.3604 0.0000 . 1 . . . . 61 ASP N . 19091 1 93 . 1 1 62 62 GLU H H 1 9.2654 0.0000 . 1 . . . . 62 GLU H . 19091 1 94 . 1 1 62 62 GLU N N 15 117.2286 0.0000 . 1 . . . . 62 GLU N . 19091 1 95 . 1 1 63 63 LEU H H 1 6.9384 0.0000 . 1 . . . . 63 LEU H . 19091 1 96 . 1 1 63 63 LEU N N 15 118.1011 0.0000 . 1 . . . . 63 LEU N . 19091 1 97 . 1 1 64 64 VAL H H 1 7.0392 0.0000 . 1 . . . . 64 VAL H . 19091 1 98 . 1 1 64 64 VAL N N 15 115.8654 0.0000 . 1 . . . . 64 VAL N . 19091 1 99 . 1 1 65 65 ILE H H 1 8.7346 0.0000 . 1 . . . . 65 ILE H . 19091 1 100 . 1 1 65 65 ILE N N 15 121.2153 0.0000 . 1 . . . . 65 ILE N . 19091 1 101 . 1 1 66 66 ALA H H 1 7.1028 0.0000 . 1 . . . . 66 ALA H . 19091 1 102 . 1 1 66 66 ALA N N 15 120.3104 0.0000 . 1 . . . . 66 ALA N . 19091 1 103 . 1 1 67 67 LEU H H 1 7.0778 0.0000 . 1 . . . . 67 LEU H . 19091 1 104 . 1 1 67 67 LEU N N 15 119.1261 0.0000 . 1 . . . . 67 LEU N . 19091 1 105 . 1 1 68 68 VAL H H 1 7.7859 0.0000 . 1 . . . . 68 VAL H . 19091 1 106 . 1 1 68 68 VAL N N 15 120.1544 0.0000 . 1 . . . . 68 VAL N . 19091 1 107 . 1 1 69 69 LYS H H 1 8.2512 0.0000 . 1 . . . . 69 LYS H . 19091 1 108 . 1 1 69 69 LYS N N 15 118.8337 0.0000 . 1 . . . . 69 LYS N . 19091 1 109 . 1 1 70 70 GLU H H 1 7.3049 0.0000 . 1 . . . . 70 GLU H . 19091 1 110 . 1 1 70 70 GLU N N 15 117.2267 0.0000 . 1 . . . . 70 GLU N . 19091 1 111 . 1 1 71 71 ARG H H 1 7.4422 0.0000 . 1 . . . . 71 ARG H . 19091 1 112 . 1 1 71 71 ARG N N 15 121.1209 0.0000 . 1 . . . . 71 ARG N . 19091 1 113 . 1 1 72 72 ILE H H 1 8.1455 0.0000 . 1 . . . . 72 ILE H . 19091 1 114 . 1 1 72 72 ILE N N 15 112.4883 0.0000 . 1 . . . . 72 ILE N . 19091 1 115 . 1 1 73 73 ALA H H 1 6.8064 0.0000 . 1 . . . . 73 ALA H . 19091 1 116 . 1 1 73 73 ALA N N 15 122.1998 0.0000 . 1 . . . . 73 ALA N . 19091 1 117 . 1 1 74 74 GLN H H 1 7.1384 0.0000 . 1 . . . . 74 GLN H . 19091 1 118 . 1 1 74 74 GLN N N 15 117.2850 0.0000 . 1 . . . . 74 GLN N . 19091 1 119 . 1 1 75 75 GLU H H 1 8.8503 0.0000 . 1 . . . . 75 GLU H . 19091 1 120 . 1 1 75 75 GLU N N 15 122.4953 0.0000 . 1 . . . . 75 GLU N . 19091 1 121 . 1 1 76 76 ASP H H 1 8.4158 0.0000 . 1 . . . . 76 ASP H . 19091 1 122 . 1 1 76 76 ASP N N 15 118.2801 0.0000 . 1 . . . . 76 ASP N . 19091 1 123 . 1 1 77 77 CYS H H 1 7.6088 0.0000 . 1 . . . . 77 CYS H . 19091 1 124 . 1 1 77 77 CYS N N 15 118.7154 0.0000 . 1 . . . . 77 CYS N . 19091 1 125 . 1 1 78 78 ARG H H 1 7.6519 0.0000 . 1 . . . . 78 ARG H . 19091 1 126 . 1 1 78 78 ARG N N 15 122.7609 0.0000 . 1 . . . . 78 ARG N . 19091 1 127 . 1 1 79 79 ASN H H 1 8.3562 0.0000 . 1 . . . . 79 ASN H . 19091 1 128 . 1 1 79 79 ASN N N 15 115.9746 0.0000 . 1 . . . . 79 ASN N . 19091 1 129 . 1 1 80 80 GLY H H 1 7.3259 0.0000 . 1 . . . . 80 GLY H . 19091 1 130 . 1 1 80 80 GLY N N 15 108.2979 0.0000 . 1 . . . . 80 GLY N . 19091 1 131 . 1 1 81 81 PHE H H 1 7.5338 0.0000 . 1 . . . . 81 PHE H . 19091 1 132 . 1 1 81 81 PHE N N 15 110.2141 0.0000 . 1 . . . . 81 PHE N . 19091 1 133 . 1 1 82 82 LEU H H 1 8.6534 0.0000 . 1 . . . . 82 LEU H . 19091 1 134 . 1 1 82 82 LEU N N 15 122.3669 0.0000 . 1 . . . . 82 LEU N . 19091 1 135 . 1 1 83 83 LEU H H 1 9.6142 0.0000 . 1 . . . . 83 LEU H . 19091 1 136 . 1 1 83 83 LEU N N 15 128.5703 0.0000 . 1 . . . . 83 LEU N . 19091 1 137 . 1 1 84 84 ASP H H 1 8.5722 0.0000 . 1 . . . . 84 ASP H . 19091 1 138 . 1 1 84 84 ASP N N 15 124.3204 0.0000 . 1 . . . . 84 ASP N . 19091 1 139 . 1 1 86 86 PHE H H 1 7.3105 0.0000 . 1 . . . . 86 PHE H . 19091 1 140 . 1 1 86 86 PHE N N 15 119.6000 0.0000 . 1 . . . . 86 PHE N . 19091 1 141 . 1 1 89 89 THR H H 1 6.9721 0.0000 . 1 . . . . 89 THR H . 19091 1 142 . 1 1 89 89 THR N N 15 107.7819 0.0000 . 1 . . . . 89 THR N . 19091 1 143 . 1 1 90 90 ILE H H 1 9.6701 0.0000 . 1 . . . . 90 ILE H . 19091 1 144 . 1 1 90 90 ILE N N 15 124.4207 0.0000 . 1 . . . . 90 ILE N . 19091 1 145 . 1 1 92 92 GLN H H 1 7.0918 0.0000 . 1 . . . . 92 GLN H . 19091 1 146 . 1 1 92 92 GLN N N 15 116.3028 0.0000 . 1 . . . . 92 GLN N . 19091 1 147 . 1 1 93 93 ALA H H 1 7.3890 0.0000 . 1 . . . . 93 ALA H . 19091 1 148 . 1 1 93 93 ALA N N 15 124.9124 0.0000 . 1 . . . . 93 ALA N . 19091 1 149 . 1 1 94 94 ASP H H 1 8.9722 0.0000 . 1 . . . . 94 ASP H . 19091 1 150 . 1 1 94 94 ASP N N 15 121.4287 0.0000 . 1 . . . . 94 ASP N . 19091 1 151 . 1 1 95 95 ALA H H 1 7.9208 0.0000 . 1 . . . . 95 ALA H . 19091 1 152 . 1 1 95 95 ALA N N 15 123.0922 0.0000 . 1 . . . . 95 ALA N . 19091 1 153 . 1 1 96 96 MET H H 1 7.5087 0.0000 . 1 . . . . 96 MET H . 19091 1 154 . 1 1 96 96 MET N N 15 118.2170 0.0000 . 1 . . . . 96 MET N . 19091 1 155 . 1 1 97 97 LYS H H 1 7.5868 0.0000 . 1 . . . . 97 LYS H . 19091 1 156 . 1 1 97 97 LYS N N 15 121.6221 0.0000 . 1 . . . . 97 LYS N . 19091 1 157 . 1 1 98 98 GLU H H 1 8.5763 0.0000 . 1 . . . . 98 GLU H . 19091 1 158 . 1 1 98 98 GLU N N 15 121.7577 0.0000 . 1 . . . . 98 GLU N . 19091 1 159 . 1 1 100 100 GLY H H 1 7.8277 0.0000 . 1 . . . . 100 GLY H . 19091 1 160 . 1 1 100 100 GLY N N 15 108.6858 0.0000 . 1 . . . . 100 GLY N . 19091 1 161 . 1 1 101 101 ILE H H 1 8.0267 0.0000 . 1 . . . . 101 ILE H . 19091 1 162 . 1 1 101 101 ILE N N 15 122.0015 0.0000 . 1 . . . . 101 ILE N . 19091 1 163 . 1 1 102 102 ASN H H 1 7.9532 0.0000 . 1 . . . . 102 ASN H . 19091 1 164 . 1 1 102 102 ASN N N 15 125.7565 0.0000 . 1 . . . . 102 ASN N . 19091 1 165 . 1 1 103 103 VAL H H 1 8.7682 0.0000 . 1 . . . . 103 VAL H . 19091 1 166 . 1 1 103 103 VAL N N 15 114.0897 0.0000 . 1 . . . . 103 VAL N . 19091 1 167 . 1 1 104 104 ASP H H 1 8.5219 0.0000 . 1 . . . . 104 ASP H . 19091 1 168 . 1 1 104 104 ASP N N 15 124.2924 0.0000 . 1 . . . . 104 ASP N . 19091 1 169 . 1 1 105 105 TYR H H 1 7.5337 0.0000 . 1 . . . . 105 TYR H . 19091 1 170 . 1 1 105 105 TYR N N 15 115.9696 0.0000 . 1 . . . . 105 TYR N . 19091 1 171 . 1 1 106 106 VAL H H 1 8.6954 0.0000 . 1 . . . . 106 VAL H . 19091 1 172 . 1 1 106 106 VAL N N 15 124.0603 0.0000 . 1 . . . . 106 VAL N . 19091 1 173 . 1 1 107 107 LEU H H 1 8.4838 0.0000 . 1 . . . . 107 LEU H . 19091 1 174 . 1 1 107 107 LEU N N 15 125.9706 0.0000 . 1 . . . . 107 LEU N . 19091 1 175 . 1 1 108 108 GLU H H 1 8.6345 0.0000 . 1 . . . . 108 GLU H . 19091 1 176 . 1 1 108 108 GLU N N 15 126.1851 0.0000 . 1 . . . . 108 GLU N . 19091 1 177 . 1 1 109 109 PHE H H 1 9.1654 0.0000 . 1 . . . . 109 PHE H . 19091 1 178 . 1 1 109 109 PHE N N 15 129.2022 0.0000 . 1 . . . . 109 PHE N . 19091 1 179 . 1 1 110 110 ASP H H 1 8.8660 0.0000 . 1 . . . . 110 ASP H . 19091 1 180 . 1 1 110 110 ASP N N 15 126.9440 0.0000 . 1 . . . . 110 ASP N . 19091 1 181 . 1 1 111 111 VAL H H 1 7.4840 0.0000 . 1 . . . . 111 VAL H . 19091 1 182 . 1 1 111 111 VAL N N 15 126.2218 0.0000 . 1 . . . . 111 VAL N . 19091 1 183 . 1 1 113 113 ASP H H 1 8.6152 0.0000 . 1 . . . . 113 ASP H . 19091 1 184 . 1 1 113 113 ASP N N 15 122.5868 0.0000 . 1 . . . . 113 ASP N . 19091 1 185 . 1 1 114 114 GLU H H 1 9.0486 0.0000 . 1 . . . . 114 GLU H . 19091 1 186 . 1 1 114 114 GLU N N 15 116.1903 0.0000 . 1 . . . . 114 GLU N . 19091 1 187 . 1 1 115 115 LEU H H 1 7.1619 0.0000 . 1 . . . . 115 LEU H . 19091 1 188 . 1 1 115 115 LEU N N 15 119.1764 0.0000 . 1 . . . . 115 LEU N . 19091 1 189 . 1 1 118 118 ASP H H 1 7.7998 0.0000 . 1 . . . . 118 ASP H . 19091 1 190 . 1 1 118 118 ASP N N 15 117.8376 0.0000 . 1 . . . . 118 ASP N . 19091 1 191 . 1 1 120 120 ILE H H 1 8.0982 0.0000 . 1 . . . . 120 ILE H . 19091 1 192 . 1 1 120 120 ILE N N 15 117.7113 0.0000 . 1 . . . . 120 ILE N . 19091 1 193 . 1 1 121 121 VAL H H 1 8.4863 0.0000 . 1 . . . . 121 VAL H . 19091 1 194 . 1 1 121 121 VAL N N 15 116.0560 0.0000 . 1 . . . . 121 VAL N . 19091 1 195 . 1 1 122 122 GLY H H 1 7.0086 0.0000 . 1 . . . . 122 GLY H . 19091 1 196 . 1 1 122 122 GLY N N 15 105.3094 0.0000 . 1 . . . . 122 GLY N . 19091 1 197 . 1 1 123 123 ARG H H 1 7.4642 0.0000 . 1 . . . . 123 ARG H . 19091 1 198 . 1 1 123 123 ARG N N 15 123.0486 0.0000 . 1 . . . . 123 ARG N . 19091 1 199 . 1 1 124 124 ARG H H 1 8.4149 0.0000 . 1 . . . . 124 ARG H . 19091 1 200 . 1 1 124 124 ARG N N 15 129.8532 0.0000 . 1 . . . . 124 ARG N . 19091 1 201 . 1 1 125 125 VAL H H 1 9.2420 0.0000 . 1 . . . . 125 VAL H . 19091 1 202 . 1 1 125 125 VAL N N 15 117.3458 0.0000 . 1 . . . . 125 VAL N . 19091 1 203 . 1 1 126 126 HIS H H 1 9.0611 0.0000 . 1 . . . . 126 HIS H . 19091 1 204 . 1 1 126 126 HIS N N 15 126.4202 0.0000 . 1 . . . . 126 HIS N . 19091 1 205 . 1 1 127 127 ALA H H 1 8.9320 0.0000 . 1 . . . . 127 ALA H . 19091 1 206 . 1 1 127 127 ALA N N 15 129.9934 0.0000 . 1 . . . . 127 ALA N . 19091 1 207 . 1 1 129 129 SER H H 1 6.7315 0.0000 . 1 . . . . 129 SER H . 19091 1 208 . 1 1 129 129 SER N N 15 108.4040 0.0000 . 1 . . . . 129 SER N . 19091 1 209 . 1 1 130 130 GLY H H 1 8.3897 0.0000 . 1 . . . . 130 GLY H . 19091 1 210 . 1 1 130 130 GLY N N 15 113.6365 0.0000 . 1 . . . . 130 GLY N . 19091 1 211 . 1 1 131 131 ARG H H 1 8.4032 0.0000 . 1 . . . . 131 ARG H . 19091 1 212 . 1 1 131 131 ARG N N 15 122.6356 0.0000 . 1 . . . . 131 ARG N . 19091 1 213 . 1 1 132 132 VAL H H 1 7.8721 0.0000 . 1 . . . . 132 VAL H . 19091 1 214 . 1 1 132 132 VAL N N 15 119.2042 0.0000 . 1 . . . . 132 VAL N . 19091 1 215 . 1 1 133 133 TYR H H 1 9.2289 0.0000 . 1 . . . . 133 TYR H . 19091 1 216 . 1 1 133 133 TYR N N 15 126.1132 0.0000 . 1 . . . . 133 TYR N . 19091 1 217 . 1 1 135 135 VAL H H 1 7.8972 0.0000 . 1 . . . . 135 VAL H . 19091 1 218 . 1 1 135 135 VAL N N 15 120.8348 0.0000 . 1 . . . . 135 VAL N . 19091 1 219 . 1 1 136 136 LYS H H 1 9.4287 0.0000 . 1 . . . . 136 LYS H . 19091 1 220 . 1 1 136 136 LYS N N 15 120.7805 0.0000 . 1 . . . . 136 LYS N . 19091 1 221 . 1 1 137 137 PHE H H 1 8.0209 0.0000 . 1 . . . . 137 PHE H . 19091 1 222 . 1 1 137 137 PHE N N 15 118.7444 0.0000 . 1 . . . . 137 PHE N . 19091 1 223 . 1 1 141 141 LYS H H 1 10.0623 0.0000 . 1 . . . . 141 LYS H . 19091 1 224 . 1 1 141 141 LYS N N 15 124.7488 0.0000 . 1 . . . . 141 LYS N . 19091 1 225 . 1 1 142 142 VAL H H 1 8.7456 0.0000 . 1 . . . . 142 VAL H . 19091 1 226 . 1 1 142 142 VAL N N 15 121.4189 0.0000 . 1 . . . . 142 VAL N . 19091 1 227 . 1 1 143 143 GLU H H 1 8.0812 0.0000 . 1 . . . . 143 GLU H . 19091 1 228 . 1 1 143 143 GLU N N 15 126.3869 0.0000 . 1 . . . . 143 GLU N . 19091 1 229 . 1 1 144 144 GLY H H 1 8.7122 0.0000 . 1 . . . . 144 GLY H . 19091 1 230 . 1 1 144 144 GLY N N 15 112.3944 0.0000 . 1 . . . . 144 GLY N . 19091 1 231 . 1 1 145 145 LYS H H 1 7.9193 0.0000 . 1 . . . . 145 LYS H . 19091 1 232 . 1 1 145 145 LYS N N 15 120.2900 0.0000 . 1 . . . . 145 LYS N . 19091 1 233 . 1 1 146 146 ASP H H 1 8.9733 0.0000 . 1 . . . . 146 ASP H . 19091 1 234 . 1 1 146 146 ASP N N 15 120.7235 0.0000 . 1 . . . . 146 ASP N . 19091 1 235 . 1 1 147 147 ASP H H 1 7.8652 0.0000 . 1 . . . . 147 ASP H . 19091 1 236 . 1 1 147 147 ASP N N 15 127.8456 0.0000 . 1 . . . . 147 ASP N . 19091 1 237 . 1 1 148 148 VAL H H 1 6.2778 0.0000 . 1 . . . . 148 VAL H . 19091 1 238 . 1 1 148 148 VAL N N 15 116.0135 0.0000 . 1 . . . . 148 VAL N . 19091 1 239 . 1 1 149 149 THR H H 1 7.4355 0.0000 . 1 . . . . 149 THR H . 19091 1 240 . 1 1 149 149 THR N N 15 106.3390 0.0000 . 1 . . . . 149 THR N . 19091 1 241 . 1 1 150 150 GLY H H 1 7.7792 0.0000 . 1 . . . . 150 GLY H . 19091 1 242 . 1 1 150 150 GLY N N 15 111.9542 0.0000 . 1 . . . . 150 GLY N . 19091 1 243 . 1 1 151 151 GLU H H 1 7.5871 0.0000 . 1 . . . . 151 GLU H . 19091 1 244 . 1 1 151 151 GLU N N 15 119.5575 0.0000 . 1 . . . . 151 GLU N . 19091 1 245 . 1 1 152 152 GLU H H 1 8.6289 0.0000 . 1 . . . . 152 GLU H . 19091 1 246 . 1 1 152 152 GLU N N 15 120.6487 0.0000 . 1 . . . . 152 GLU N . 19091 1 247 . 1 1 153 153 LEU H H 1 7.8812 0.0000 . 1 . . . . 153 LEU H . 19091 1 248 . 1 1 153 153 LEU N N 15 122.0825 0.0000 . 1 . . . . 153 LEU N . 19091 1 249 . 1 1 154 154 THR H H 1 9.2974 0.0000 . 1 . . . . 154 THR H . 19091 1 250 . 1 1 154 154 THR N N 15 114.5716 0.0000 . 1 . . . . 154 THR N . 19091 1 251 . 1 1 155 155 THR H H 1 8.2399 0.0000 . 1 . . . . 155 THR H . 19091 1 252 . 1 1 155 155 THR N N 15 115.0356 0.0000 . 1 . . . . 155 THR N . 19091 1 253 . 1 1 156 156 ARG H H 1 9.8668 0.0000 . 1 . . . . 156 ARG H . 19091 1 254 . 1 1 156 156 ARG N N 15 127.9915 0.0000 . 1 . . . . 156 ARG N . 19091 1 255 . 1 1 162 162 GLU H H 1 9.1170 0.0000 . 1 . . . . 162 GLU H . 19091 1 256 . 1 1 162 162 GLU N N 15 117.5649 0.0000 . 1 . . . . 162 GLU N . 19091 1 257 . 1 1 163 163 THR H H 1 7.2148 0.0000 . 1 . . . . 163 THR H . 19091 1 258 . 1 1 163 163 THR N N 15 116.4240 0.0000 . 1 . . . . 163 THR N . 19091 1 259 . 1 1 166 166 LYS H H 1 7.3171 0.0000 . 1 . . . . 166 LYS H . 19091 1 260 . 1 1 166 166 LYS N N 15 120.1849 0.0000 . 1 . . . . 166 LYS N . 19091 1 261 . 1 1 168 168 LEU H H 1 8.5694 0.0000 . 1 . . . . 168 LEU H . 19091 1 262 . 1 1 168 168 LEU N N 15 123.5878 0.0000 . 1 . . . . 168 LEU N . 19091 1 263 . 1 1 169 169 VAL H H 1 7.6442 0.0000 . 1 . . . . 169 VAL H . 19091 1 264 . 1 1 169 169 VAL N N 15 121.8617 0.0000 . 1 . . . . 169 VAL N . 19091 1 265 . 1 1 170 170 GLU H H 1 7.7706 0.0000 . 1 . . . . 170 GLU H . 19091 1 266 . 1 1 170 170 GLU N N 15 119.8771 0.0000 . 1 . . . . 170 GLU N . 19091 1 267 . 1 1 171 171 TYR H H 1 8.3587 0.0000 . 1 . . . . 171 TYR H . 19091 1 268 . 1 1 171 171 TYR N N 15 121.1759 0.0000 . 1 . . . . 171 TYR N . 19091 1 269 . 1 1 173 173 GLN H H 1 7.9272 0.0000 . 1 . . . . 173 GLN H . 19091 1 270 . 1 1 173 173 GLN N N 15 116.5704 0.0000 . 1 . . . . 173 GLN N . 19091 1 271 . 1 1 174 174 MET H H 1 8.5733 0.0000 . 1 . . . . 174 MET H . 19091 1 272 . 1 1 174 174 MET N N 15 113.5978 0.0000 . 1 . . . . 174 MET N . 19091 1 273 . 1 1 175 175 THR H H 1 7.7943 0.0000 . 1 . . . . 175 THR H . 19091 1 274 . 1 1 175 175 THR N N 15 117.8421 0.0000 . 1 . . . . 175 THR N . 19091 1 275 . 1 1 176 176 ALA H H 1 7.9195 0.0000 . 1 . . . . 176 ALA H . 19091 1 276 . 1 1 176 176 ALA N N 15 126.9479 0.0000 . 1 . . . . 176 ALA N . 19091 1 277 . 1 1 179 179 ILE H H 1 8.0819 0.0000 . 1 . . . . 179 ILE H . 19091 1 278 . 1 1 179 179 ILE N N 15 123.8440 0.0000 . 1 . . . . 179 ILE N . 19091 1 279 . 1 1 180 180 GLY H H 1 7.6692 0.0000 . 1 . . . . 180 GLY H . 19091 1 280 . 1 1 180 180 GLY N N 15 110.0404 0.0000 . 1 . . . . 180 GLY N . 19091 1 281 . 1 1 181 181 TYR H H 1 7.5658 0.0000 . 1 . . . . 181 TYR H . 19091 1 282 . 1 1 181 181 TYR N N 15 123.6899 0.0000 . 1 . . . . 181 TYR N . 19091 1 283 . 1 1 182 182 TYR H H 1 9.0056 0.0000 . 1 . . . . 182 TYR H . 19091 1 284 . 1 1 182 182 TYR N N 15 117.6642 0.0000 . 1 . . . . 182 TYR N . 19091 1 285 . 1 1 183 183 SER H H 1 8.2637 0.0000 . 1 . . . . 183 SER H . 19091 1 286 . 1 1 183 183 SER N N 15 120.5663 0.0000 . 1 . . . . 183 SER N . 19091 1 287 . 1 1 184 184 LYS H H 1 7.6329 0.0000 . 1 . . . . 184 LYS H . 19091 1 288 . 1 1 184 184 LYS N N 15 124.0886 0.0000 . 1 . . . . 184 LYS N . 19091 1 289 . 1 1 185 185 GLU H H 1 7.4170 0.0000 . 1 . . . . 185 GLU H . 19091 1 290 . 1 1 185 185 GLU N N 15 120.4143 0.0000 . 1 . . . . 185 GLU N . 19091 1 291 . 1 1 186 186 ALA H H 1 8.2514 0.0000 . 1 . . . . 186 ALA H . 19091 1 292 . 1 1 186 186 ALA N N 15 123.4984 0.0000 . 1 . . . . 186 ALA N . 19091 1 293 . 1 1 187 187 GLU H H 1 8.0342 0.0000 . 1 . . . . 187 GLU H . 19091 1 294 . 1 1 187 187 GLU N N 15 123.3271 0.0000 . 1 . . . . 187 GLU N . 19091 1 295 . 1 1 188 188 ALA H H 1 7.4048 0.0000 . 1 . . . . 188 ALA H . 19091 1 296 . 1 1 188 188 ALA N N 15 119.4442 0.0000 . 1 . . . . 188 ALA N . 19091 1 297 . 1 1 189 189 GLY H H 1 7.8251 0.0000 . 1 . . . . 189 GLY H . 19091 1 298 . 1 1 189 189 GLY N N 15 106.1009 0.0000 . 1 . . . . 189 GLY N . 19091 1 299 . 1 1 190 190 ASN H H 1 8.1359 0.0000 . 1 . . . . 190 ASN H . 19091 1 300 . 1 1 190 190 ASN N N 15 117.6364 0.0000 . 1 . . . . 190 ASN N . 19091 1 301 . 1 1 191 191 THR H H 1 7.4480 0.0000 . 1 . . . . 191 THR H . 19091 1 302 . 1 1 191 191 THR N N 15 113.5938 0.0000 . 1 . . . . 191 THR N . 19091 1 303 . 1 1 192 192 LYS H H 1 7.7672 0.0000 . 1 . . . . 192 LYS H . 19091 1 304 . 1 1 192 192 LYS N N 15 123.9978 0.0000 . 1 . . . . 192 LYS N . 19091 1 305 . 1 1 193 193 TYR H H 1 8.6232 0.0000 . 1 . . . . 193 TYR H . 19091 1 306 . 1 1 193 193 TYR N N 15 126.3162 0.0000 . 1 . . . . 193 TYR N . 19091 1 307 . 1 1 194 194 ALA H H 1 8.4852 0.0000 . 1 . . . . 194 ALA H . 19091 1 308 . 1 1 194 194 ALA N N 15 132.0947 0.0000 . 1 . . . . 194 ALA N . 19091 1 309 . 1 1 195 195 LYS H H 1 8.3938 0.0000 . 1 . . . . 195 LYS H . 19091 1 310 . 1 1 195 195 LYS N N 15 123.3403 0.0000 . 1 . . . . 195 LYS N . 19091 1 311 . 1 1 196 196 VAL H H 1 9.2364 0.0000 . 1 . . . . 196 VAL H . 19091 1 312 . 1 1 196 196 VAL N N 15 126.0350 0.0000 . 1 . . . . 196 VAL N . 19091 1 313 . 1 1 197 197 ASP H H 1 8.6967 0.0000 . 1 . . . . 197 ASP H . 19091 1 314 . 1 1 197 197 ASP N N 15 124.6114 0.0000 . 1 . . . . 197 ASP N . 19091 1 315 . 1 1 198 198 GLY H H 1 8.3358 0.0000 . 1 . . . . 198 GLY H . 19091 1 316 . 1 1 198 198 GLY N N 15 112.8072 0.0000 . 1 . . . . 198 GLY N . 19091 1 317 . 1 1 199 199 THR H H 1 8.7096 0.0000 . 1 . . . . 199 THR H . 19091 1 318 . 1 1 199 199 THR N N 15 112.6308 0.0000 . 1 . . . . 199 THR N . 19091 1 319 . 1 1 200 200 LYS H H 1 6.3072 0.0000 . 1 . . . . 200 LYS H . 19091 1 320 . 1 1 200 200 LYS N N 15 123.1798 0.0000 . 1 . . . . 200 LYS N . 19091 1 321 . 1 1 202 202 VAL H H 1 8.1758 0.0000 . 1 . . . . 202 VAL H . 19091 1 322 . 1 1 202 202 VAL N N 15 123.7146 0.0000 . 1 . . . . 202 VAL N . 19091 1 323 . 1 1 203 203 ALA H H 1 8.7911 0.0000 . 1 . . . . 203 ALA H . 19091 1 324 . 1 1 203 203 ALA N N 15 118.8508 0.0000 . 1 . . . . 203 ALA N . 19091 1 325 . 1 1 205 205 VAL H H 1 7.8911 0.0000 . 1 . . . . 205 VAL H . 19091 1 326 . 1 1 205 205 VAL N N 15 122.6179 0.0000 . 1 . . . . 205 VAL N . 19091 1 327 . 1 1 206 206 ARG H H 1 7.7296 0.0000 . 1 . . . . 206 ARG H . 19091 1 328 . 1 1 206 206 ARG N N 15 119.3879 0.0000 . 1 . . . . 206 ARG N . 19091 1 329 . 1 1 207 207 ALA H H 1 7.1876 0.0000 . 1 . . . . 207 ALA H . 19091 1 330 . 1 1 207 207 ALA N N 15 121.2095 0.0000 . 1 . . . . 207 ALA N . 19091 1 331 . 1 1 208 208 ASP H H 1 8.0571 0.0000 . 1 . . . . 208 ASP H . 19091 1 332 . 1 1 208 208 ASP N N 15 122.2965 0.0000 . 1 . . . . 208 ASP N . 19091 1 333 . 1 1 209 209 LEU H H 1 8.2977 0.0000 . 1 . . . . 209 LEU H . 19091 1 334 . 1 1 209 209 LEU N N 15 121.8366 0.0000 . 1 . . . . 209 LEU N . 19091 1 335 . 1 1 210 210 GLU H H 1 8.2356 0.0000 . 1 . . . . 210 GLU H . 19091 1 336 . 1 1 210 210 GLU N N 15 120.3025 0.0000 . 1 . . . . 210 GLU N . 19091 1 337 . 1 1 212 212 ILE H H 1 7.2200 0.0000 . 1 . . . . 212 ILE H . 19091 1 338 . 1 1 212 212 ILE N N 15 120.0440 0.0000 . 1 . . . . 212 ILE N . 19091 1 339 . 1 1 213 213 LEU H H 1 7.9139 0.0000 . 1 . . . . 213 LEU H . 19091 1 340 . 1 1 213 213 LEU N N 15 118.3419 0.0000 . 1 . . . . 213 LEU N . 19091 1 341 . 1 1 214 214 GLY H H 1 7.6520 0.0000 . 1 . . . . 214 GLY H . 19091 1 342 . 1 1 214 214 GLY N N 15 112.9034 0.0000 . 1 . . . . 214 GLY N . 19091 1 stop_ save_