################################### # 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 25257 _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' . . . 25257 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 $CARA . . 25257 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 8.493 0.020 . 1 . . . . 2 ASP H . 25257 1 2 . 1 1 2 2 ASP N N 15 120.229 0.3 . 1 . . . . 2 ASP N . 25257 1 3 . 1 1 3 3 GLN H H 1 8.207 0.020 . 1 . . . . 3 GLN H . 25257 1 4 . 1 1 3 3 GLN N N 15 119.571 0.3 . 1 . . . . 3 GLN N . 25257 1 5 . 1 1 4 4 LEU H H 1 8.177 0.020 . 1 . . . . 4 LEU H . 25257 1 6 . 1 1 4 4 LEU N N 15 122.970 0.3 . 1 . . . . 4 LEU N . 25257 1 7 . 1 1 5 5 THR H H 1 8.611 0.020 . 1 . . . . 5 THR H . 25257 1 8 . 1 1 5 5 THR N N 15 112.923 0.3 . 1 . . . . 5 THR N . 25257 1 9 . 1 1 6 6 GLU H H 1 8.875 0.020 . 1 . . . . 6 GLU H . 25257 1 10 . 1 1 6 6 GLU N N 15 120.083 0.3 . 1 . . . . 6 GLU N . 25257 1 11 . 1 1 7 7 GLU H H 1 8.532 0.020 . 1 . . . . 7 GLU H . 25257 1 12 . 1 1 7 7 GLU N N 15 119.246 0.3 . 1 . . . . 7 GLU N . 25257 1 13 . 1 1 8 8 GLN H H 1 7.586 0.020 . 1 . . . . 8 GLN H . 25257 1 14 . 1 1 8 8 GLN N N 15 119.770 0.3 . 1 . . . . 8 GLN N . 25257 1 15 . 1 1 9 9 ILE H H 1 8.271 0.020 . 1 . . . . 9 ILE H . 25257 1 16 . 1 1 9 9 ILE N N 15 119.252 0.3 . 1 . . . . 9 ILE N . 25257 1 17 . 1 1 10 10 ALA H H 1 7.840 0.020 . 1 . . . . 10 ALA H . 25257 1 18 . 1 1 10 10 ALA N N 15 120.938 0.3 . 1 . . . . 10 ALA N . 25257 1 19 . 1 1 11 11 GLU H H 1 7.637 0.020 . 1 . . . . 11 GLU H . 25257 1 20 . 1 1 11 11 GLU N N 15 118.880 0.3 . 1 . . . . 11 GLU N . 25257 1 21 . 1 1 12 12 PHE H H 1 8.449 0.020 . 1 . . . . 12 PHE H . 25257 1 22 . 1 1 12 12 PHE N N 15 119.525 0.3 . 1 . . . . 12 PHE N . 25257 1 23 . 1 1 13 13 LYS H H 1 9.106 0.020 . 1 . . . . 13 LYS H . 25257 1 24 . 1 1 13 13 LYS N N 15 123.495 0.3 . 1 . . . . 13 LYS N . 25257 1 25 . 1 1 14 14 GLU H H 1 7.653 0.020 . 1 . . . . 14 GLU H . 25257 1 26 . 1 1 14 14 GLU N N 15 119.053 0.3 . 1 . . . . 14 GLU N . 25257 1 27 . 1 1 15 15 ALA H H 1 7.789 0.020 . 1 . . . . 15 ALA H . 25257 1 28 . 1 1 15 15 ALA N N 15 121.934 0.3 . 1 . . . . 15 ALA N . 25257 1 29 . 1 1 16 16 PHE H H 1 8.766 0.020 . 1 . . . . 16 PHE H . 25257 1 30 . 1 1 16 16 PHE N N 15 118.861 0.3 . 1 . . . . 16 PHE N . 25257 1 31 . 1 1 17 17 SER H H 1 7.826 0.020 . 1 . . . . 17 SER H . 25257 1 32 . 1 1 17 17 SER N N 15 111.507 0.3 . 1 . . . . 17 SER N . 25257 1 33 . 1 1 18 18 LEU H H 1 7.237 0.020 . 1 . . . . 18 LEU H . 25257 1 34 . 1 1 18 18 LEU N N 15 121.142 0.3 . 1 . . . . 18 LEU N . 25257 1 35 . 1 1 19 19 PHE H H 1 7.071 0.020 . 1 . . . . 19 PHE H . 25257 1 36 . 1 1 19 19 PHE N N 15 114.305 0.3 . 1 . . . . 19 PHE N . 25257 1 37 . 1 1 20 20 ASP H H 1 7.664 0.020 . 1 . . . . 20 ASP H . 25257 1 38 . 1 1 20 20 ASP N N 15 115.786 0.3 . 1 . . . . 20 ASP N . 25257 1 39 . 1 1 21 21 LYS H H 1 7.550 0.020 . 1 . . . . 21 LYS H . 25257 1 40 . 1 1 21 21 LYS N N 15 124.882 0.3 . 1 . . . . 21 LYS N . 25257 1 41 . 1 1 22 22 ASP H H 1 7.962 0.020 . 1 . . . . 22 ASP H . 25257 1 42 . 1 1 22 22 ASP N N 15 113.582 0.3 . 1 . . . . 22 ASP N . 25257 1 43 . 1 1 23 23 GLY H H 1 7.599 0.020 . 1 . . . . 23 GLY H . 25257 1 44 . 1 1 23 23 GLY N N 15 109.251 0.3 . 1 . . . . 23 GLY N . 25257 1 45 . 1 1 24 24 ASP H H 1 8.254 0.020 . 1 . . . . 24 ASP H . 25257 1 46 . 1 1 24 24 ASP N N 15 120.421 0.3 . 1 . . . . 24 ASP N . 25257 1 47 . 1 1 25 25 GLY H H 1 10.560 0.020 . 1 . . . . 25 GLY H . 25257 1 48 . 1 1 25 25 GLY N N 15 113.190 0.3 . 1 . . . . 25 GLY N . 25257 1 49 . 1 1 26 26 THR H H 1 8.021 0.020 . 1 . . . . 26 THR H . 25257 1 50 . 1 1 26 26 THR N N 15 112.893 0.3 . 1 . . . . 26 THR N . 25257 1 51 . 1 1 27 27 ILE H H 1 9.682 0.020 . 1 . . . . 27 ILE H . 25257 1 52 . 1 1 27 27 ILE N N 15 127.001 0.3 . 1 . . . . 27 ILE N . 25257 1 53 . 1 1 28 28 THR H H 1 8.264 0.020 . 1 . . . . 28 THR H . 25257 1 54 . 1 1 28 28 THR N N 15 116.659 0.3 . 1 . . . . 28 THR N . 25257 1 55 . 1 1 29 29 THR H H 1 9.056 0.020 . 1 . . . . 29 THR H . 25257 1 56 . 1 1 29 29 THR N N 15 113.245 0.3 . 1 . . . . 29 THR N . 25257 1 57 . 1 1 30 30 LYS H H 1 7.575 0.020 . 1 . . . . 30 LYS H . 25257 1 58 . 1 1 30 30 LYS N N 15 121.098 0.3 . 1 . . . . 30 LYS N . 25257 1 59 . 1 1 31 31 GLU H H 1 7.710 0.020 . 1 . . . . 31 GLU H . 25257 1 60 . 1 1 31 31 GLU N N 15 122.001 0.3 . 1 . . . . 31 GLU N . 25257 1 61 . 1 1 33 33 GLY H H 1 8.383 0.020 . 1 . . . . 33 GLY H . 25257 1 62 . 1 1 33 33 GLY N N 15 103.650 0.3 . 1 . . . . 33 GLY N . 25257 1 63 . 1 1 34 34 THR H H 1 7.928 0.020 . 1 . . . . 34 THR H . 25257 1 64 . 1 1 34 34 THR N N 15 117.566 0.3 . 1 . . . . 34 THR N . 25257 1 65 . 1 1 35 35 VAL H H 1 7.091 0.020 . 1 . . . . 35 VAL H . 25257 1 66 . 1 1 35 35 VAL N N 15 120.234 0.3 . 1 . . . . 35 VAL N . 25257 1 67 . 1 1 36 36 MET H H 1 8.323 0.020 . 1 . . . . 36 MET H . 25257 1 68 . 1 1 36 36 MET N N 15 117.714 0.3 . 1 . . . . 36 MET N . 25257 1 69 . 1 1 37 37 ARG H H 1 8.230 0.020 . 1 . . . . 37 ARG H . 25257 1 70 . 1 1 37 37 ARG N N 15 117.626 0.3 . 1 . . . . 37 ARG N . 25257 1 71 . 1 1 38 38 SER H H 1 7.879 0.020 . 1 . . . . 38 SER H . 25257 1 72 . 1 1 38 38 SER N N 15 118.880 0.3 . 1 . . . . 38 SER N . 25257 1 73 . 1 1 39 39 LEU H H 1 7.258 0.020 . 1 . . . . 39 LEU H . 25257 1 74 . 1 1 39 39 LEU N N 15 118.681 0.3 . 1 . . . . 39 LEU N . 25257 1 75 . 1 1 40 40 GLY H H 1 7.460 0.020 . 1 . . . . 40 GLY H . 25257 1 76 . 1 1 40 40 GLY N N 15 104.808 0.3 . 1 . . . . 40 GLY N . 25257 1 77 . 1 1 41 41 GLN H H 1 7.869 0.020 . 1 . . . . 41 GLN H . 25257 1 78 . 1 1 41 41 GLN N N 15 117.938 0.3 . 1 . . . . 41 GLN N . 25257 1 79 . 1 1 42 42 ASN H H 1 8.557 0.020 . 1 . . . . 42 ASN H . 25257 1 80 . 1 1 42 42 ASN N N 15 115.663 0.3 . 1 . . . . 42 ASN N . 25257 1 81 . 1 1 44 44 THR H H 1 8.894 0.020 . 1 . . . . 44 THR H . 25257 1 82 . 1 1 44 44 THR N N 15 113.567 0.3 . 1 . . . . 44 THR N . 25257 1 83 . 1 1 45 45 GLU H H 1 8.654 0.020 . 1 . . . . 45 GLU H . 25257 1 84 . 1 1 45 45 GLU N N 15 120.295 0.3 . 1 . . . . 45 GLU N . 25257 1 85 . 1 1 46 46 ALA H H 1 8.137 0.020 . 1 . . . . 46 ALA H . 25257 1 86 . 1 1 46 46 ALA N N 15 120.487 0.3 . 1 . . . . 46 ALA N . 25257 1 87 . 1 1 47 47 GLU H H 1 7.591 0.020 . 1 . . . . 47 GLU H . 25257 1 88 . 1 1 47 47 GLU N N 15 118.007 0.3 . 1 . . . . 47 GLU N . 25257 1 89 . 1 1 48 48 LEU H H 1 7.853 0.020 . 1 . . . . 48 LEU H . 25257 1 90 . 1 1 48 48 LEU N N 15 120.152 0.3 . 1 . . . . 48 LEU N . 25257 1 91 . 1 1 49 49 GLN H H 1 8.028 0.020 . 1 . . . . 49 GLN H . 25257 1 92 . 1 1 49 49 GLN N N 15 117.871 0.3 . 1 . . . . 49 GLN N . 25257 1 93 . 1 1 50 50 ASP H H 1 8.011 0.020 . 1 . . . . 50 ASP H . 25257 1 94 . 1 1 50 50 ASP N N 15 119.212 0.3 . 1 . . . . 50 ASP N . 25257 1 95 . 1 1 51 51 MET H H 1 7.616 0.020 . 1 . . . . 51 MET H . 25257 1 96 . 1 1 51 51 MET N N 15 119.106 0.3 . 1 . . . . 51 MET N . 25257 1 97 . 1 1 52 52 ILE H H 1 7.511 0.020 . 1 . . . . 52 ILE H . 25257 1 98 . 1 1 52 52 ILE N N 15 117.539 0.3 . 1 . . . . 52 ILE N . 25257 1 99 . 1 1 53 53 ASN H H 1 8.415 0.020 . 1 . . . . 53 ASN H . 25257 1 100 . 1 1 53 53 ASN N N 15 117.128 0.3 . 1 . . . . 53 ASN N . 25257 1 101 . 1 1 54 54 GLU H H 1 7.465 0.020 . 1 . . . . 54 GLU H . 25257 1 102 . 1 1 54 54 GLU N N 15 116.411 0.3 . 1 . . . . 54 GLU N . 25257 1 103 . 1 1 55 55 VAL H H 1 7.039 0.020 . 1 . . . . 55 VAL H . 25257 1 104 . 1 1 55 55 VAL N N 15 108.519 0.3 . 1 . . . . 55 VAL N . 25257 1 105 . 1 1 56 56 ASP H H 1 7.557 0.020 . 1 . . . . 56 ASP H . 25257 1 106 . 1 1 56 56 ASP N N 15 121.284 0.3 . 1 . . . . 56 ASP N . 25257 1 107 . 1 1 57 57 ALA H H 1 8.359 0.020 . 1 . . . . 57 ALA H . 25257 1 108 . 1 1 57 57 ALA N N 15 131.832 0.3 . 1 . . . . 57 ALA N . 25257 1 109 . 1 1 58 58 ASP H H 1 7.988 0.020 . 1 . . . . 58 ASP H . 25257 1 110 . 1 1 58 58 ASP N N 15 113.582 0.3 . 1 . . . . 58 ASP N . 25257 1 111 . 1 1 59 59 GLY H H 1 7.424 0.020 . 1 . . . . 59 GLY H . 25257 1 112 . 1 1 59 59 GLY N N 15 108.085 0.3 . 1 . . . . 59 GLY N . 25257 1 113 . 1 1 60 60 ASN H H 1 7.918 0.020 . 1 . . . . 60 ASN H . 25257 1 114 . 1 1 60 60 ASN N N 15 117.926 0.3 . 1 . . . . 60 ASN N . 25257 1 115 . 1 1 61 61 GLY H H 1 10.485 0.020 . 1 . . . . 61 GLY H . 25257 1 116 . 1 1 61 61 GLY N N 15 113.230 0.3 . 1 . . . . 61 GLY N . 25257 1 117 . 1 1 62 62 THR H H 1 7.507 0.020 . 1 . . . . 62 THR H . 25257 1 118 . 1 1 62 62 THR N N 15 108.615 0.3 . 1 . . . . 62 THR N . 25257 1 119 . 1 1 63 63 ILE H H 1 8.730 0.020 . 1 . . . . 63 ILE H . 25257 1 120 . 1 1 63 63 ILE N N 15 122.672 0.3 . 1 . . . . 63 ILE N . 25257 1 121 . 1 1 64 64 ASP H H 1 8.706 0.020 . 1 . . . . 64 ASP H . 25257 1 122 . 1 1 64 64 ASP N N 15 127.837 0.3 . 1 . . . . 64 ASP N . 25257 1 123 . 1 1 65 65 PHE H H 1 8.845 0.020 . 1 . . . . 65 PHE H . 25257 1 124 . 1 1 65 65 PHE N N 15 118.569 0.3 . 1 . . . . 65 PHE N . 25257 1 125 . 1 1 67 67 GLU H H 1 7.952 0.020 . 1 . . . . 67 GLU H . 25257 1 126 . 1 1 67 67 GLU N N 15 117.588 0.3 . 1 . . . . 67 GLU N . 25257 1 127 . 1 1 68 68 PHE H H 1 8.765 0.020 . 1 . . . . 68 PHE H . 25257 1 128 . 1 1 68 68 PHE N N 15 123.283 0.3 . 1 . . . . 68 PHE N . 25257 1 129 . 1 1 69 69 LEU H H 1 8.405 0.020 . 1 . . . . 69 LEU H . 25257 1 130 . 1 1 69 69 LEU N N 15 118.741 0.3 . 1 . . . . 69 LEU N . 25257 1 131 . 1 1 70 70 THR H H 1 7.542 0.020 . 1 . . . . 70 THR H . 25257 1 132 . 1 1 70 70 THR N N 15 116.411 0.3 . 1 . . . . 70 THR N . 25257 1 133 . 1 1 71 71 MET H H 1 7.720 0.020 . 1 . . . . 71 MET H . 25257 1 134 . 1 1 71 71 MET N N 15 121.576 0.3 . 1 . . . . 71 MET N . 25257 1 135 . 1 1 72 72 MET H H 1 7.977 0.020 . 1 . . . . 72 MET H . 25257 1 136 . 1 1 72 72 MET N N 15 116.517 0.3 . 1 . . . . 72 MET N . 25257 1 137 . 1 1 73 73 ALA H H 1 8.061 0.020 . 1 . . . . 73 ALA H . 25257 1 138 . 1 1 73 73 ALA N N 15 121.465 0.3 . 1 . . . . 73 ALA N . 25257 1 139 . 1 1 74 74 ARG H H 1 7.354 0.020 . 1 . . . . 74 ARG H . 25257 1 140 . 1 1 74 74 ARG N N 15 115.794 0.3 . 1 . . . . 74 ARG N . 25257 1 141 . 1 1 75 75 LYS H H 1 7.636 0.020 . 1 . . . . 75 LYS H . 25257 1 142 . 1 1 75 75 LYS N N 15 117.245 0.3 . 1 . . . . 75 LYS N . 25257 1 143 . 1 1 76 76 MET H H 1 7.792 0.020 . 1 . . . . 76 MET H . 25257 1 144 . 1 1 76 76 MET N N 15 117.911 0.3 . 1 . . . . 76 MET N . 25257 1 145 . 1 1 77 77 LYS H H 1 7.627 0.020 . 1 . . . . 77 LYS H . 25257 1 146 . 1 1 77 77 LYS N N 15 119.836 0.3 . 1 . . . . 77 LYS N . 25257 1 147 . 1 1 78 78 ASP H H 1 8.009 0.020 . 1 . . . . 78 ASP H . 25257 1 148 . 1 1 78 78 ASP N N 15 119.273 0.3 . 1 . . . . 78 ASP N . 25257 1 149 . 1 1 79 79 THR H H 1 7.597 0.020 . 1 . . . . 79 THR H . 25257 1 150 . 1 1 79 79 THR N N 15 112.709 0.3 . 1 . . . . 79 THR N . 25257 1 151 . 1 1 80 80 ASP H H 1 8.341 0.020 . 1 . . . . 80 ASP H . 25257 1 152 . 1 1 80 80 ASP N N 15 122.718 0.3 . 1 . . . . 80 ASP N . 25257 1 153 . 1 1 81 81 SER H H 1 8.233 0.020 . 1 . . . . 81 SER H . 25257 1 154 . 1 1 81 81 SER N N 15 117.456 0.3 . 1 . . . . 81 SER N . 25257 1 155 . 1 1 82 82 GLU H H 1 8.375 0.020 . 1 . . . . 82 GLU H . 25257 1 156 . 1 1 82 82 GLU N N 15 121.788 0.3 . 1 . . . . 82 GLU N . 25257 1 157 . 1 1 83 83 GLU H H 1 8.044 0.020 . 1 . . . . 83 GLU H . 25257 1 158 . 1 1 83 83 GLU N N 15 119.225 0.3 . 1 . . . . 83 GLU N . 25257 1 159 . 1 1 84 84 GLU H H 1 8.159 0.020 . 1 . . . . 84 GLU H . 25257 1 160 . 1 1 84 84 GLU N N 15 118.203 0.3 . 1 . . . . 84 GLU N . 25257 1 161 . 1 1 85 85 ILE H H 1 7.937 0.020 . 1 . . . . 85 ILE H . 25257 1 162 . 1 1 85 85 ILE N N 15 120.792 0.3 . 1 . . . . 85 ILE N . 25257 1 163 . 1 1 86 86 ARG H H 1 8.231 0.020 . 1 . . . . 86 ARG H . 25257 1 164 . 1 1 86 86 ARG N N 15 121.538 0.3 . 1 . . . . 86 ARG N . 25257 1 165 . 1 1 87 87 GLU H H 1 8.161 0.020 . 1 . . . . 87 GLU H . 25257 1 166 . 1 1 87 87 GLU N N 15 118.379 0.3 . 1 . . . . 87 GLU N . 25257 1 167 . 1 1 88 88 ALA H H 1 7.882 0.020 . 1 . . . . 88 ALA H . 25257 1 168 . 1 1 88 88 ALA N N 15 120.239 0.3 . 1 . . . . 88 ALA N . 25257 1 169 . 1 1 89 89 PHE H H 1 8.449 0.020 . 1 . . . . 89 PHE H . 25257 1 170 . 1 1 89 89 PHE N N 15 118.117 0.3 . 1 . . . . 89 PHE N . 25257 1 171 . 1 1 90 90 ARG H H 1 7.775 0.020 . 1 . . . . 90 ARG H . 25257 1 172 . 1 1 90 90 ARG N N 15 116.079 0.3 . 1 . . . . 90 ARG N . 25257 1 173 . 1 1 91 91 VAL H H 1 7.230 0.020 . 1 . . . . 91 VAL H . 25257 1 174 . 1 1 91 91 VAL N N 15 118.183 0.3 . 1 . . . . 91 VAL N . 25257 1 175 . 1 1 92 92 PHE H H 1 6.688 0.020 . 1 . . . . 92 PHE H . 25257 1 176 . 1 1 92 92 PHE N N 15 113.127 0.3 . 1 . . . . 92 PHE N . 25257 1 177 . 1 1 93 93 ASP H H 1 7.819 0.020 . 1 . . . . 93 ASP H . 25257 1 178 . 1 1 93 93 ASP N N 15 116.503 0.3 . 1 . . . . 93 ASP N . 25257 1 179 . 1 1 94 94 LYS H H 1 7.602 0.020 . 1 . . . . 94 LYS H . 25257 1 180 . 1 1 94 94 LYS N N 15 125.373 0.3 . 1 . . . . 94 LYS N . 25257 1 181 . 1 1 95 95 ASP H H 1 8.070 0.020 . 1 . . . . 95 ASP H . 25257 1 182 . 1 1 95 95 ASP N N 15 114.036 0.3 . 1 . . . . 95 ASP N . 25257 1 183 . 1 1 96 96 GLY H H 1 7.613 0.020 . 1 . . . . 96 GLY H . 25257 1 184 . 1 1 96 96 GLY N N 15 108.687 0.3 . 1 . . . . 96 GLY N . 25257 1 185 . 1 1 97 97 ASN H H 1 8.172 0.020 . 1 . . . . 97 ASN H . 25257 1 186 . 1 1 97 97 ASN N N 15 119.358 0.3 . 1 . . . . 97 ASN N . 25257 1 187 . 1 1 98 98 GLY H H 1 10.540 0.020 . 1 . . . . 98 GLY H . 25257 1 188 . 1 1 98 98 GLY N N 15 113.216 0.3 . 1 . . . . 98 GLY N . 25257 1 189 . 1 1 100 100 ILE H H 1 9.928 0.020 . 1 . . . . 100 ILE H . 25257 1 190 . 1 1 100 100 ILE N N 15 127.731 0.3 . 1 . . . . 100 ILE N . 25257 1 191 . 1 1 101 101 SER H H 1 8.782 0.020 . 1 . . . . 101 SER H . 25257 1 192 . 1 1 101 101 SER N N 15 123.256 0.3 . 1 . . . . 101 SER N . 25257 1 193 . 1 1 102 102 ALA H H 1 9.162 0.020 . 1 . . . . 102 ALA H . 25257 1 194 . 1 1 102 102 ALA N N 15 122.818 0.3 . 1 . . . . 102 ALA N . 25257 1 195 . 1 1 103 103 ALA H H 1 8.117 0.020 . 1 . . . . 103 ALA H . 25257 1 196 . 1 1 103 103 ALA N N 15 118.189 0.3 . 1 . . . . 103 ALA N . 25257 1 197 . 1 1 104 104 GLU H H 1 7.787 0.020 . 1 . . . . 104 GLU H . 25257 1 198 . 1 1 104 104 GLU N N 15 120.128 0.3 . 1 . . . . 104 GLU N . 25257 1 199 . 1 1 105 105 LEU H H 1 8.231 0.020 . 1 . . . . 105 LEU H . 25257 1 200 . 1 1 105 105 LEU N N 15 121.366 0.3 . 1 . . . . 105 LEU N . 25257 1 201 . 1 1 106 106 ARG H H 1 8.787 0.020 . 1 . . . . 106 ARG H . 25257 1 202 . 1 1 106 106 ARG N N 15 118.502 0.3 . 1 . . . . 106 ARG N . 25257 1 203 . 1 1 107 107 HIS H H 1 7.957 0.020 . 1 . . . . 107 HIS H . 25257 1 204 . 1 1 107 107 HIS N N 15 118.774 0.3 . 1 . . . . 107 HIS N . 25257 1 205 . 1 1 108 108 VAL H H 1 7.685 0.020 . 1 . . . . 108 VAL H . 25257 1 206 . 1 1 108 108 VAL N N 15 119.066 0.3 . 1 . . . . 108 VAL N . 25257 1 207 . 1 1 109 109 MET H H 1 8.110 0.020 . 1 . . . . 109 MET H . 25257 1 208 . 1 1 109 109 MET N N 15 115.413 0.3 . 1 . . . . 109 MET N . 25257 1 209 . 1 1 110 110 THR H H 1 8.529 0.020 . 1 . . . . 110 THR H . 25257 1 210 . 1 1 110 110 THR N N 15 116.879 0.3 . 1 . . . . 110 THR N . 25257 1 211 . 1 1 111 111 ASP H H 1 7.870 0.020 . 1 . . . . 111 ASN H . 25257 1 212 . 1 1 111 111 ASP N N 15 123.846 0.3 . 1 . . . . 111 ASN N . 25257 1 213 . 1 1 112 112 LEU H H 1 7.667 0.020 . 1 . . . . 112 LEU H . 25257 1 214 . 1 1 112 112 LEU N N 15 118.323 0.3 . 1 . . . . 112 LEU N . 25257 1 215 . 1 1 113 113 GLY H H 1 7.699 0.020 . 1 . . . . 113 GLY H . 25257 1 216 . 1 1 113 113 GLY N N 15 106.760 0.3 . 1 . . . . 113 GLY N . 25257 1 217 . 1 1 114 114 GLU H H 1 7.864 0.020 . 1 . . . . 114 GLU H . 25257 1 218 . 1 1 114 114 GLU N N 15 119.971 0.3 . 1 . . . . 114 GLU N . 25257 1 219 . 1 1 115 115 LYS H H 1 8.490 0.020 . 1 . . . . 115 LYS H . 25257 1 220 . 1 1 115 115 LYS N N 15 124.969 0.3 . 1 . . . . 115 LYS N . 25257 1 221 . 1 1 116 116 LEU H H 1 7.985 0.020 . 1 . . . . 116 LEU H . 25257 1 222 . 1 1 116 116 LEU N N 15 124.895 0.3 . 1 . . . . 116 LEU N . 25257 1 223 . 1 1 117 117 THR H H 1 9.119 0.020 . 1 . . . . 117 THR H . 25257 1 224 . 1 1 117 117 THR N N 15 114.373 0.3 . 1 . . . . 117 THR N . 25257 1 225 . 1 1 118 118 ASP H H 1 8.763 0.020 . 1 . . . . 118 ASP H . 25257 1 226 . 1 1 118 118 ASP N N 15 120.773 0.3 . 1 . . . . 118 ASP N . 25257 1 227 . 1 1 119 119 GLU H H 1 8.514 0.020 . 1 . . . . 119 GLU H . 25257 1 228 . 1 1 119 119 GLU N N 15 119.166 0.3 . 1 . . . . 119 GLU N . 25257 1 229 . 1 1 120 120 GLU H H 1 7.568 0.020 . 1 . . . . 120 GLU H . 25257 1 230 . 1 1 120 120 GLU N N 15 119.969 0.3 . 1 . . . . 120 GLU N . 25257 1 231 . 1 1 121 121 VAL H H 1 7.858 0.020 . 1 . . . . 121 VAL H . 25257 1 232 . 1 1 121 121 VAL N N 15 122.014 0.3 . 1 . . . . 121 VAL N . 25257 1 233 . 1 1 122 122 ASP H H 1 7.879 0.020 . 1 . . . . 122 ASP H . 25257 1 234 . 1 1 122 122 ASP N N 15 120.064 0.3 . 1 . . . . 122 ASP N . 25257 1 235 . 1 1 123 123 GLU H H 1 7.809 0.020 . 1 . . . . 123 GLU H . 25257 1 236 . 1 1 123 123 GLU N N 15 119.053 0.3 . 1 . . . . 123 GLU N . 25257 1 237 . 1 1 124 124 MET H H 1 7.427 0.020 . 1 . . . . 124 MET H . 25257 1 238 . 1 1 124 124 MET N N 15 118.974 0.3 . 1 . . . . 124 MET N . 25257 1 239 . 1 1 125 125 ILE H H 1 7.707 0.020 . 1 . . . . 125 ILE H . 25257 1 240 . 1 1 125 125 ILE N N 15 118.137 0.3 . 1 . . . . 125 ILE N . 25257 1 241 . 1 1 126 126 ARG H H 1 7.962 0.020 . 1 . . . . 126 ARG H . 25257 1 242 . 1 1 126 126 ARG N N 15 117.749 0.3 . 1 . . . . 126 ARG N . 25257 1 243 . 1 1 127 127 GLU H H 1 7.593 0.020 . 1 . . . . 127 GLU H . 25257 1 244 . 1 1 127 127 GLU N N 15 117.582 0.3 . 1 . . . . 127 GLU N . 25257 1 245 . 1 1 128 128 ALA H H 1 7.167 0.020 . 1 . . . . 128 ALA H . 25257 1 246 . 1 1 128 128 ALA N N 15 116.600 0.3 . 1 . . . . 128 ALA N . 25257 1 247 . 1 1 130 130 ILE H H 1 8.162 0.020 . 1 . . . . 130 ILE H . 25257 1 248 . 1 1 130 130 ILE N N 15 128.314 0.3 . 1 . . . . 130 ILE N . 25257 1 249 . 1 1 131 131 ASP H H 1 8.300 0.020 . 1 . . . . 131 ASP H . 25257 1 250 . 1 1 131 131 ASP N N 15 118.314 0.3 . 1 . . . . 131 ASP N . 25257 1 251 . 1 1 132 132 GLY H H 1 7.555 0.020 . 1 . . . . 132 GLY H . 25257 1 252 . 1 1 132 132 GLY N N 15 108.507 0.3 . 1 . . . . 132 GLY N . 25257 1 253 . 1 1 133 133 ASP H H 1 8.072 0.020 . 1 . . . . 133 ASP H . 25257 1 254 . 1 1 133 133 ASP N N 15 120.492 0.3 . 1 . . . . 133 ASP N . 25257 1 255 . 1 1 134 134 GLY H H 1 9.977 0.020 . 1 . . . . 134 GLY H . 25257 1 256 . 1 1 134 134 GLY N N 15 112.410 0.3 . 1 . . . . 134 GLY N . 25257 1 257 . 1 1 135 135 GLN H H 1 7.715 0.020 . 1 . . . . 135 GLN H . 25257 1 258 . 1 1 135 135 GLN N N 15 115.893 0.3 . 1 . . . . 135 GLN N . 25257 1 259 . 1 1 136 136 VAL H H 1 8.887 0.020 . 1 . . . . 136 VAL H . 25257 1 260 . 1 1 136 136 VAL N N 15 124.770 0.3 . 1 . . . . 136 VAL N . 25257 1 261 . 1 1 137 137 ASN H H 1 9.267 0.020 . 1 . . . . 137 ASN H . 25257 1 262 . 1 1 137 137 ASN N N 15 128.023 0.3 . 1 . . . . 137 ASN N . 25257 1 263 . 1 1 138 138 TYR H H 1 8.120 0.020 . 1 . . . . 138 TYR H . 25257 1 264 . 1 1 138 138 TYR N N 15 118.376 0.3 . 1 . . . . 138 TYR N . 25257 1 265 . 1 1 139 139 GLU H H 1 8.002 0.020 . 1 . . . . 139 GLU H . 25257 1 266 . 1 1 139 139 GLU N N 15 118.503 0.3 . 1 . . . . 139 GLU N . 25257 1 267 . 1 1 141 141 PHE H H 1 8.654 0.020 . 1 . . . . 141 PHE H . 25257 1 268 . 1 1 141 141 PHE N N 15 124.119 0.3 . 1 . . . . 141 PHE N . 25257 1 269 . 1 1 142 142 VAL H H 1 8.677 0.020 . 1 . . . . 142 VAL H . 25257 1 270 . 1 1 142 142 VAL N N 15 119.140 0.3 . 1 . . . . 142 VAL N . 25257 1 271 . 1 1 143 143 GLN H H 1 7.793 0.020 . 1 . . . . 143 GLN H . 25257 1 272 . 1 1 143 143 GLN N N 15 120.240 0.3 . 1 . . . . 143 GLN N . 25257 1 273 . 1 1 144 144 MET H H 1 7.391 0.020 . 1 . . . . 144 MET H . 25257 1 274 . 1 1 144 144 MET N N 15 118.549 0.3 . 1 . . . . 144 MET N . 25257 1 275 . 1 1 145 145 MET H H 1 7.544 0.020 . 1 . . . . 145 MET H . 25257 1 276 . 1 1 145 145 MET N N 15 114.271 0.3 . 1 . . . . 145 MET N . 25257 1 277 . 1 1 146 146 THR H H 1 7.591 0.020 . 1 . . . . 146 THR H . 25257 1 278 . 1 1 146 146 THR N N 15 109.129 0.3 . 1 . . . . 146 THR N . 25257 1 279 . 1 1 147 147 ALA H H 1 7.371 0.020 . 1 . . . . 147 ALA H . 25257 1 280 . 1 1 147 147 ALA N N 15 126.868 0.3 . 1 . . . . 147 ALA N . 25257 1 281 . 1 1 148 148 LYS H H 1 7.855 0.020 . 1 . . . . 148 LYS H . 25257 1 282 . 1 1 148 148 LYS N N 15 126.436 0.3 . 1 . . . . 148 LYS N . 25257 1 stop_ save_