################################### # 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 27558 _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 0.005 _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err 0.01 _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 . . . 27558 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.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 MET H H 1 8.675 0.002 . 1 . . . . . 1 MET HN . 27558 1 2 . 1 1 4 4 MET N N 15 122.070 0.062 . 1 . . . . . 1 MET N . 27558 1 3 . 1 1 6 6 GLU H H 1 8.186 0.002 . 1 . . . . . 3 GLU HN . 27558 1 4 . 1 1 6 6 GLU N N 15 126.740 0.062 . 1 . . . . . 3 GLU N . 27558 1 5 . 1 1 7 7 ALA H H 1 8.455 0.002 . 1 . . . . . 4 ALA HN . 27558 1 6 . 1 1 7 7 ALA N N 15 128.556 0.062 . 1 . . . . . 4 ALA N . 27558 1 7 . 1 1 8 8 ARG H H 1 8.661 0.002 . 1 . . . . . 5 ARG HN . 27558 1 8 . 1 1 8 8 ARG N N 15 124.406 0.062 . 1 . . . . . 5 ARG N . 27558 1 9 . 1 1 10 10 VAL H H 1 8.962 0.002 . 1 . . . . . 7 VAL HN . 27558 1 10 . 1 1 10 10 VAL N N 15 126.088 0.062 . 1 . . . . . 7 VAL N . 27558 1 11 . 1 1 11 11 GLN H H 1 8.003 0.002 . 1 . . . . . 8 GLN HN . 27558 1 12 . 1 1 11 11 GLN N N 15 118.679 0.062 . 1 . . . . . 8 GLN N . 27558 1 13 . 1 1 12 12 GLY H H 1 8.179 0.002 . 1 . . . . . 9 GLY HN . 27558 1 14 . 1 1 12 12 GLY N N 15 110.957 0.062 . 1 . . . . . 9 GLY N . 27558 1 15 . 1 1 13 13 SER H H 1 8.472 0.002 . 1 . . . . . 10 SER HN . 27558 1 16 . 1 1 13 13 SER N N 15 114.198 0.062 . 1 . . . . . 10 SER N . 27558 1 17 . 1 1 15 15 LEU H H 1 7.291 0.002 . 1 . . . . . 12 LEU HN . 27558 1 18 . 1 1 15 15 LEU N N 15 117.134 0.062 . 1 . . . . . 12 LEU N . 27558 1 19 . 1 1 17 17 LYS H H 1 7.987 0.002 . 1 . . . . . 14 LYS HN . 27558 1 20 . 1 1 17 17 LYS N N 15 116.963 0.062 . 1 . . . . . 14 LYS N . 27558 1 21 . 1 1 18 18 VAL H H 1 8.347 0.002 . 1 . . . . . 15 VAL HN . 27558 1 22 . 1 1 18 18 VAL N N 15 120.372 0.062 . 1 . . . . . 15 VAL N . 27558 1 23 . 1 1 19 19 LEU H H 1 7.865 0.002 . 1 . . . . . 16 LEU HN . 27558 1 24 . 1 1 19 19 LEU N N 15 120.065 0.062 . 1 . . . . . 16 LEU N . 27558 1 25 . 1 1 21 21 ALA H H 1 7.549 0.002 . 1 . . . . . 18 ALA HN . 27558 1 26 . 1 1 21 21 ALA N N 15 118.578 0.062 . 1 . . . . . 18 ALA N . 27558 1 27 . 1 1 22 22 LEU H H 1 7.602 0.002 . 1 . . . . . 19 LEU HN . 27558 1 28 . 1 1 22 22 LEU N N 15 116.653 0.062 . 1 . . . . . 19 LEU N . 27558 1 29 . 1 1 23 23 LYS H H 1 7.883 0.002 . 1 . . . . . 20 LYS HN . 27558 1 30 . 1 1 23 23 LYS N N 15 116.615 0.062 . 1 . . . . . 20 LYS N . 27558 1 31 . 1 1 24 24 ASP H H 1 8.726 0.002 . 1 . . . . . 21 ASP HN . 27558 1 32 . 1 1 24 24 ASP N N 15 119.110 0.062 . 1 . . . . . 21 ASP N . 27558 1 33 . 1 1 25 25 LEU H H 1 7.667 0.002 . 1 . . . . . 22 LEU HN . 27558 1 34 . 1 1 25 25 LEU N N 15 119.893 0.062 . 1 . . . . . 22 LEU N . 27558 1 35 . 1 1 26 26 ILE H H 1 7.936 0.002 . 1 . . . . . 23 ILE HN . 27558 1 36 . 1 1 26 26 ILE N N 15 117.086 0.062 . 1 . . . . . 23 ILE N . 27558 1 37 . 1 1 27 27 ASN H H 1 8.573 0.002 . 1 . . . . . 24 ASN HN . 27558 1 38 . 1 1 27 27 ASN N N 15 120.289 0.062 . 1 . . . . . 24 ASN N . 27558 1 39 . 1 1 28 28 GLU H H 1 7.776 0.002 . 1 . . . . . 25 GLU HN . 27558 1 40 . 1 1 28 28 GLU N N 15 117.039 0.062 . 1 . . . . . 25 GLU N . 27558 1 41 . 1 1 29 29 ALA H H 1 8.712 0.002 . 1 . . . . . 26 ALA HN . 27558 1 42 . 1 1 29 29 ALA N N 15 121.235 0.062 . 1 . . . . . 26 ALA N . 27558 1 43 . 1 1 30 30 CYS H H 1 8.989 0.002 . 1 . . . . . 27 CYS HN . 27558 1 44 . 1 1 30 30 CYS N N 15 120.105 0.062 . 1 . . . . . 27 CYS N . 27558 1 45 . 1 1 31 31 TRP H H 1 9.531 0.002 . 1 . . . . . 28 TRP HN . 27558 1 46 . 1 1 31 31 TRP N N 15 129.841 0.062 . 1 . . . . . 28 TRP N . 27558 1 47 . 1 1 32 32 ASP H H 1 9.240 0.002 . 1 . . . . . 29 ASP HN . 27558 1 48 . 1 1 32 32 ASP N N 15 125.367 0.062 . 1 . . . . . 29 ASP N . 27558 1 49 . 1 1 33 33 ILE H H 1 9.047 0.002 . 1 . . . . . 30 ILE HN . 27558 1 50 . 1 1 33 33 ILE N N 15 127.844 0.062 . 1 . . . . . 30 ILE N . 27558 1 51 . 1 1 34 34 SER H H 1 8.857 0.002 . 1 . . . . . 31 SER HN . 27558 1 52 . 1 1 34 34 SER N N 15 120.930 0.062 . 1 . . . . . 31 SER N . 27558 1 53 . 1 1 37 37 GLY H H 1 7.688 0.002 . 1 . . . . . 34 GLY HN . 27558 1 54 . 1 1 37 37 GLY N N 15 111.051 0.062 . 1 . . . . . 34 GLY N . 27558 1 55 . 1 1 39 39 ASN H H 1 9.064 0.002 . 1 . . . . . 36 ASN HN . 27558 1 56 . 1 1 39 39 ASN N N 15 124.710 0.062 . 1 . . . . . 36 ASN N . 27558 1 57 . 1 1 40 40 LEU H H 1 8.809 0.002 . 1 . . . . . 37 LEU HN . 27558 1 58 . 1 1 40 40 LEU N N 15 123.204 0.062 . 1 . . . . . 37 LEU N . 27558 1 59 . 1 1 41 41 GLN H H 1 8.940 0.002 . 1 . . . . . 38 GLN HN . 27558 1 60 . 1 1 41 41 GLN N N 15 125.551 0.062 . 1 . . . . . 38 GLN N . 27558 1 61 . 1 1 45 45 SER H H 1 9.103 0.002 . 1 . . . . . 42 SER HN . 27558 1 62 . 1 1 45 45 SER N N 15 115.940 0.062 . 1 . . . . . 42 SER N . 27558 1 63 . 1 1 46 46 SER H H 1 8.396 0.002 . 1 . . . . . 43 SER HN . 27558 1 64 . 1 1 46 46 SER N N 15 115.753 0.062 . 1 . . . . . 43 SER N . 27558 1 65 . 1 1 53 53 LEU H H 1 9.398 0.002 . 1 . . . . . 50 LEU HN . 27558 1 66 . 1 1 53 53 LEU N N 15 129.020 0.062 . 1 . . . . . 50 LEU N . 27558 1 67 . 1 1 55 55 LEU H H 1 8.823 0.002 . 1 . . . . . 52 LEU HN . 27558 1 68 . 1 1 55 55 LEU N N 15 124.659 0.062 . 1 . . . . . 52 LEU N . 27558 1 69 . 1 1 56 56 ARG H H 1 9.135 0.002 . 1 . . . . . 53 ARG HN . 27558 1 70 . 1 1 56 56 ARG N N 15 123.372 0.062 . 1 . . . . . 53 ARG N . 27558 1 71 . 1 1 57 57 SER H H 1 8.152 0.002 . 1 . . . . . 54 SER HN . 27558 1 72 . 1 1 57 57 SER N N 15 117.966 0.062 . 1 . . . . . 54 SER N . 27558 1 73 . 1 1 59 59 GLY H H 1 8.157 0.002 . 1 . . . . . 56 GLY HN . 27558 1 74 . 1 1 59 59 GLY N N 15 105.394 0.062 . 1 . . . . . 56 GLY N . 27558 1 75 . 1 1 61 61 ASP H H 1 8.791 0.002 . 1 . . . . . 58 ASP HN . 27558 1 76 . 1 1 61 61 ASP N N 15 123.921 0.062 . 1 . . . . . 58 ASP N . 27558 1 77 . 1 1 62 62 THR H H 1 7.725 0.002 . 1 . . . . . 59 THR HN . 27558 1 78 . 1 1 62 62 THR N N 15 108.372 0.062 . 1 . . . . . 59 THR N . 27558 1 79 . 1 1 63 63 TYR H H 1 8.719 0.002 . 1 . . . . . 60 TYR HN . 27558 1 80 . 1 1 63 63 TYR N N 15 125.417 0.062 . 1 . . . . . 60 TYR N . 27558 1 81 . 1 1 64 64 ARG H H 1 8.485 0.002 . 1 . . . . . 61 ARG HN . 27558 1 82 . 1 1 64 64 ARG N N 15 130.302 0.062 . 1 . . . . . 61 ARG N . 27558 1 83 . 1 1 65 65 CYS H H 1 9.034 0.002 . 1 . . . . . 62 CYS HN . 27558 1 84 . 1 1 65 65 CYS N N 15 125.486 0.062 . 1 . . . . . 62 CYS N . 27558 1 85 . 1 1 66 66 ASP H H 1 8.861 0.002 . 1 . . . . . 63 ASP HN . 27558 1 86 . 1 1 66 66 ASP N N 15 128.241 0.062 . 1 . . . . . 63 ASP N . 27558 1 87 . 1 1 67 67 ARG H H 1 7.787 0.002 . 1 . . . . . 64 ARG HN . 27558 1 88 . 1 1 67 67 ARG N N 15 116.670 0.062 . 1 . . . . . 64 ARG N . 27558 1 89 . 1 1 68 68 ASN H H 1 8.257 0.002 . 1 . . . . . 65 ASN HN . 27558 1 90 . 1 1 68 68 ASN N N 15 119.181 0.062 . 1 . . . . . 65 ASN N . 27558 1 91 . 1 1 70 70 ALA H H 1 8.368 0.002 . 1 . . . . . 67 ALA HN . 27558 1 92 . 1 1 70 70 ALA N N 15 126.578 0.062 . 1 . . . . . 67 ALA N . 27558 1 93 . 1 1 71 71 MET H H 1 8.822 0.002 . 1 . . . . . 68 MET HN . 27558 1 94 . 1 1 71 71 MET N N 15 121.503 0.062 . 1 . . . . . 68 MET N . 27558 1 95 . 1 1 72 72 GLY H H 1 9.323 0.002 . 1 . . . . . 69 GLY HN . 27558 1 96 . 1 1 72 72 GLY N N 15 115.866 0.062 . 1 . . . . . 69 GLY N . 27558 1 97 . 1 1 74 74 ASN H H 1 8.618 0.002 . 1 . . . . . 71 ASN HN . 27558 1 98 . 1 1 74 74 ASN N N 15 122.723 0.062 . 1 . . . . . 71 ASN N . 27558 1 99 . 1 1 75 75 LEU H H 1 8.823 0.002 . 1 . . . . . 72 LEU HN . 27558 1 100 . 1 1 75 75 LEU N N 15 127.485 0.062 . 1 . . . . . 72 LEU N . 27558 1 101 . 1 1 76 76 THR H H 1 8.358 0.002 . 1 . . . . . 73 THR HN . 27558 1 102 . 1 1 76 76 THR N N 15 118.662 0.062 . 1 . . . . . 73 THR N . 27558 1 103 . 1 1 78 78 MET H H 1 8.219 0.002 . 1 . . . . . 75 MET HN . 27558 1 104 . 1 1 78 78 MET N N 15 119.692 0.062 . 1 . . . . . 75 MET N . 27558 1 105 . 1 1 79 79 SER H H 1 8.504 0.002 . 1 . . . . . 76 SER HN . 27558 1 106 . 1 1 79 79 SER N N 15 113.276 0.062 . 1 . . . . . 76 SER N . 27558 1 107 . 1 1 81 81 ILE H H 1 7.282 0.002 . 1 . . . . . 78 ILE HN . 27558 1 108 . 1 1 81 81 ILE N N 15 116.261 0.062 . 1 . . . . . 78 ILE N . 27558 1 109 . 1 1 84 84 CYS H H 1 7.686 0.002 . 1 . . . . . 81 CYS HN . 27558 1 110 . 1 1 84 84 CYS N N 15 115.469 0.062 . 1 . . . . . 81 CYS N . 27558 1 111 . 1 1 85 85 ALA H H 1 7.185 0.002 . 1 . . . . . 82 ALA HN . 27558 1 112 . 1 1 85 85 ALA N N 15 123.989 0.062 . 1 . . . . . 82 ALA N . 27558 1 113 . 1 1 86 86 GLY H H 1 9.081 0.002 . 1 . . . . . 83 GLY HN . 27558 1 114 . 1 1 86 86 GLY N N 15 112.493 0.062 . 1 . . . . . 83 GLY N . 27558 1 115 . 1 1 88 88 GLU H H 1 8.715 0.002 . 1 . . . . . 85 GLU HN . 27558 1 116 . 1 1 88 88 GLU N N 15 116.670 0.062 . 1 . . . . . 85 GLU N . 27558 1 117 . 1 1 89 89 ASP H H 1 6.955 0.002 . 1 . . . . . 86 ASP HN . 27558 1 118 . 1 1 89 89 ASP N N 15 120.829 0.062 . 1 . . . . . 86 ASP N . 27558 1 119 . 1 1 90 90 ILE H H 1 8.594 0.002 . 1 . . . . . 87 ILE HN . 27558 1 120 . 1 1 90 90 ILE N N 15 121.510 0.062 . 1 . . . . . 87 ILE N . 27558 1 121 . 1 1 91 91 ILE H H 1 8.713 0.002 . 1 . . . . . 88 ILE HN . 27558 1 122 . 1 1 91 91 ILE N N 15 128.101 0.062 . 1 . . . . . 88 ILE N . 27558 1 123 . 1 1 92 92 THR H H 1 9.579 0.002 . 1 . . . . . 89 THR HN . 27558 1 124 . 1 1 92 92 THR N N 15 124.657 0.062 . 1 . . . . . 89 THR N . 27558 1 125 . 1 1 93 93 LEU H H 1 8.977 0.002 . 1 . . . . . 90 LEU HN . 27558 1 126 . 1 1 93 93 LEU N N 15 125.422 0.062 . 1 . . . . . 90 LEU N . 27558 1 127 . 1 1 96 96 GLU H H 1 8.942 0.002 . 1 . . . . . 93 GLU HN . 27558 1 128 . 1 1 96 96 GLU N N 15 121.417 0.062 . 1 . . . . . 93 GLU N . 27558 1 129 . 1 1 97 97 ASP H H 1 8.602 0.002 . 1 . . . . . 94 ASP HN . 27558 1 130 . 1 1 97 97 ASP N N 15 120.001 0.062 . 1 . . . . . 94 ASP N . 27558 1 131 . 1 1 98 98 ASN H H 1 8.520 0.002 . 1 . . . . . 95 ASN HN . 27558 1 132 . 1 1 98 98 ASN N N 15 117.873 0.062 . 1 . . . . . 95 ASN N . 27558 1 133 . 1 1 99 99 ALA H H 1 7.718 0.002 . 1 . . . . . 96 ALA HN . 27558 1 134 . 1 1 99 99 ALA N N 15 120.181 0.062 . 1 . . . . . 96 ALA N . 27558 1 135 . 1 1 100 100 ASP H H 1 8.492 0.002 . 1 . . . . . 97 ASP HN . 27558 1 136 . 1 1 100 100 ASP N N 15 117.468 0.062 . 1 . . . . . 97 ASP N . 27558 1 137 . 1 1 101 101 THR H H 1 7.409 0.002 . 1 . . . . . 98 THR HN . 27558 1 138 . 1 1 101 101 THR N N 15 109.208 0.062 . 1 . . . . . 98 THR N . 27558 1 139 . 1 1 103 103 ALA H H 1 8.984 0.002 . 1 . . . . . 100 ALA HN . 27558 1 140 . 1 1 103 103 ALA N N 15 128.863 0.062 . 1 . . . . . 100 ALA N . 27558 1 141 . 1 1 104 104 LEU H H 1 8.886 0.002 . 1 . . . . . 101 LEU HN . 27558 1 142 . 1 1 104 104 LEU N N 15 120.689 0.062 . 1 . . . . . 101 LEU N . 27558 1 143 . 1 1 106 106 PHE H H 1 9.463 0.002 . 1 . . . . . 103 PHE HN . 27558 1 144 . 1 1 106 106 PHE N N 15 126.771 0.062 . 1 . . . . . 103 PHE N . 27558 1 145 . 1 1 107 107 GLU H H 1 9.572 0.002 . 1 . . . . . 104 GLU HN . 27558 1 146 . 1 1 107 107 GLU N N 15 126.145 0.062 . 1 . . . . . 104 GLU N . 27558 1 147 . 1 1 108 108 ALA H H 1 7.873 0.002 . 1 . . . . . 105 ALA HN . 27558 1 148 . 1 1 108 108 ALA N N 15 127.682 0.062 . 1 . . . . . 105 ALA N . 27558 1 149 . 1 1 110 110 ASN H H 1 8.314 0.002 . 1 . . . . . 107 ASN HN . 27558 1 150 . 1 1 110 110 ASN N N 15 113.855 0.062 . 1 . . . . . 107 ASN N . 27558 1 151 . 1 1 112 112 GLU H H 1 8.783 0.002 . 1 . . . . . 109 GLU HN . 27558 1 152 . 1 1 112 112 GLU N N 15 120.173 0.062 . 1 . . . . . 109 GLU N . 27558 1 153 . 1 1 116 116 ASP H H 1 9.282 0.002 . 1 . . . . . 113 ASP HN . 27558 1 154 . 1 1 116 116 ASP N N 15 123.107 0.062 . 1 . . . . . 113 ASP N . 27558 1 155 . 1 1 117 117 TYR H H 1 9.238 0.002 . 1 . . . . . 114 TYR HN . 27558 1 156 . 1 1 117 117 TYR N N 15 120.857 0.062 . 1 . . . . . 114 TYR N . 27558 1 157 . 1 1 118 118 GLU H H 1 8.843 0.002 . 1 . . . . . 115 GLU HN . 27558 1 158 . 1 1 118 118 GLU N N 15 121.551 0.062 . 1 . . . . . 115 GLU N . 27558 1 159 . 1 1 121 121 LEU H H 1 7.996 0.002 . 1 . . . . . 118 LEU HN . 27558 1 160 . 1 1 121 121 LEU N N 15 122.888 0.062 . 1 . . . . . 118 LEU N . 27558 1 161 . 1 1 122 122 MET H H 1 8.646 0.002 . 1 . . . . . 119 MET HN . 27558 1 162 . 1 1 122 122 MET N N 15 117.763 0.062 . 1 . . . . . 119 MET N . 27558 1 163 . 1 1 124 124 LEU H H 1 8.183 0.002 . 1 . . . . . 121 LEU HN . 27558 1 164 . 1 1 124 124 LEU N N 15 124.555 0.062 . 1 . . . . . 121 LEU N . 27558 1 165 . 1 1 126 126 VAL H H 1 8.242 0.002 . 1 . . . . . 123 VAL HN . 27558 1 166 . 1 1 126 126 VAL N N 15 120.771 0.062 . 1 . . . . . 123 VAL N . 27558 1 167 . 1 1 127 127 GLU H H 1 8.530 0.002 . 1 . . . . . 124 GLU HN . 27558 1 168 . 1 1 127 127 GLU N N 15 125.985 0.062 . 1 . . . . . 124 GLU N . 27558 1 169 . 1 1 128 128 GLN H H 1 8.626 0.002 . 1 . . . . . 125 GLN HN . 27558 1 170 . 1 1 128 128 GLN N N 15 123.340 0.062 . 1 . . . . . 125 GLN N . 27558 1 171 . 1 1 135 135 GLU H H 1 7.993 0.002 . 1 . . . . . 132 GLU HN . 27558 1 172 . 1 1 135 135 GLU N N 15 120.673 0.062 . 1 . . . . . 132 GLU N . 27558 1 173 . 1 1 139 139 VAL H H 1 8.796 0.002 . 1 . . . . . 136 VAL HN . 27558 1 174 . 1 1 139 139 VAL N N 15 125.960 0.062 . 1 . . . . . 136 VAL N . 27558 1 175 . 1 1 140 140 VAL H H 1 9.495 0.002 . 1 . . . . . 137 VAL HN . 27558 1 176 . 1 1 140 140 VAL N N 15 129.060 0.062 . 1 . . . . . 137 VAL N . 27558 1 177 . 1 1 141 141 LYS H H 1 8.933 0.002 . 1 . . . . . 138 LYS HN . 27558 1 178 . 1 1 141 141 LYS N N 15 128.538 0.062 . 1 . . . . . 138 LYS N . 27558 1 179 . 1 1 142 142 MET H H 1 8.715 0.002 . 1 . . . . . 139 MET HN . 27558 1 180 . 1 1 142 142 MET N N 15 118.823 0.062 . 1 . . . . . 139 MET N . 27558 1 181 . 1 1 144 144 SER H H 1 9.067 0.002 . 1 . . . . . 141 SER HN . 27558 1 182 . 1 1 144 144 SER N N 15 124.283 0.062 . 1 . . . . . 141 SER N . 27558 1 183 . 1 1 145 145 GLY H H 1 9.427 0.002 . 1 . . . . . 142 GLY HN . 27558 1 184 . 1 1 145 145 GLY N N 15 112.931 0.062 . 1 . . . . . 142 GLY N . 27558 1 185 . 1 1 146 146 GLU H H 1 6.977 0.002 . 1 . . . . . 143 GLU HN . 27558 1 186 . 1 1 146 146 GLU N N 15 121.240 0.062 . 1 . . . . . 143 GLU N . 27558 1 187 . 1 1 147 147 PHE H H 1 7.575 0.002 . 1 . . . . . 144 PHE HN . 27558 1 188 . 1 1 147 147 PHE N N 15 118.874 0.062 . 1 . . . . . 144 PHE N . 27558 1 189 . 1 1 151 151 CYS H H 1 7.312 0.002 . 1 . . . . . 148 CYS HN . 27558 1 190 . 1 1 151 151 CYS N N 15 114.405 0.062 . 1 . . . . . 148 CYS N . 27558 1 191 . 1 1 152 152 ARG H H 1 7.773 0.002 . 1 . . . . . 149 ARG HN . 27558 1 192 . 1 1 152 152 ARG N N 15 121.317 0.062 . 1 . . . . . 149 ARG N . 27558 1 193 . 1 1 158 158 GLY H H 1 7.762 0.002 . 1 . . . . . 155 GLY HN . 27558 1 194 . 1 1 158 158 GLY N N 15 103.361 0.062 . 1 . . . . . 155 GLY N . 27558 1 195 . 1 1 159 159 ASP H H 1 8.232 0.002 . 1 . . . . . 156 ASP HN . 27558 1 196 . 1 1 159 159 ASP N N 15 112.278 0.062 . 1 . . . . . 156 ASP N . 27558 1 197 . 1 1 162 162 VAL H H 1 9.669 0.002 . 1 . . . . . 159 VAL HN . 27558 1 198 . 1 1 162 162 VAL N N 15 128.418 0.062 . 1 . . . . . 159 VAL N . 27558 1 199 . 1 1 164 164 SER H H 1 9.124 0.002 . 1 . . . . . 161 SER HN . 27558 1 200 . 1 1 164 164 SER N N 15 120.687 0.062 . 1 . . . . . 161 SER N . 27558 1 201 . 1 1 166 166 ALA H H 1 8.489 0.002 . 1 . . . . . 163 ALA HN . 27558 1 202 . 1 1 166 166 ALA N N 15 128.356 0.062 . 1 . . . . . 163 ALA N . 27558 1 203 . 1 1 168 168 ASP H H 1 8.176 0.002 . 1 . . . . . 165 ASP HN . 27558 1 204 . 1 1 168 168 ASP N N 15 111.199 0.062 . 1 . . . . . 165 ASP N . 27558 1 205 . 1 1 169 169 GLY H H 1 7.585 0.002 . 1 . . . . . 166 GLY HN . 27558 1 206 . 1 1 169 169 GLY N N 15 107.874 0.062 . 1 . . . . . 166 GLY N . 27558 1 207 . 1 1 171 171 LYS H H 1 8.817 0.002 . 1 . . . . . 168 LYS HN . 27558 1 208 . 1 1 171 171 LYS N N 15 127.983 0.062 . 1 . . . . . 168 LYS N . 27558 1 209 . 1 1 172 172 PHE H H 1 9.495 0.002 . 1 . . . . . 169 PHE HN . 27558 1 210 . 1 1 172 172 PHE N N 15 123.491 0.062 . 1 . . . . . 169 PHE N . 27558 1 211 . 1 1 173 173 SER H H 1 9.266 0.002 . 1 . . . . . 170 SER HN . 27558 1 212 . 1 1 173 173 SER N N 15 117.929 0.062 . 1 . . . . . 170 SER N . 27558 1 213 . 1 1 175 175 SER H H 1 8.963 0.002 . 1 . . . . . 172 SER HN . 27558 1 214 . 1 1 175 175 SER N N 15 115.073 0.062 . 1 . . . . . 172 SER N . 27558 1 215 . 1 1 176 176 GLY H H 1 8.500 0.002 . 1 . . . . . 173 GLY HN . 27558 1 216 . 1 1 176 176 GLY N N 15 111.630 0.062 . 1 . . . . . 173 GLY N . 27558 1 217 . 1 1 178 178 LEU H H 1 8.895 0.002 . 1 . . . . . 175 LEU HN . 27558 1 218 . 1 1 178 178 LEU N N 15 116.331 0.062 . 1 . . . . . 175 LEU N . 27558 1 219 . 1 1 179 179 GLY H H 1 7.511 0.002 . 1 . . . . . 176 GLY HN . 27558 1 220 . 1 1 179 179 GLY N N 15 104.879 0.062 . 1 . . . . . 176 GLY N . 27558 1 221 . 1 1 181 181 GLY H H 1 8.865 0.002 . 1 . . . . . 178 GLY HN . 27558 1 222 . 1 1 181 181 GLY N N 15 106.374 0.062 . 1 . . . . . 178 GLY N . 27558 1 223 . 1 1 182 182 ASN H H 1 8.518 0.002 . 1 . . . . . 179 ASN HN . 27558 1 224 . 1 1 182 182 ASN N N 15 119.483 0.062 . 1 . . . . . 179 ASN N . 27558 1 225 . 1 1 183 183 ILE H H 1 9.683 0.002 . 1 . . . . . 180 ILE HN . 27558 1 226 . 1 1 183 183 ILE N N 15 123.716 0.062 . 1 . . . . . 180 ILE N . 27558 1 227 . 1 1 184 184 LYS H H 1 9.153 0.002 . 1 . . . . . 181 LYS HN . 27558 1 228 . 1 1 184 184 LYS N N 15 127.622 0.062 . 1 . . . . . 181 LYS N . 27558 1 229 . 1 1 185 185 LEU H H 1 9.179 0.002 . 1 . . . . . 182 LEU HN . 27558 1 230 . 1 1 185 185 LEU N N 15 126.688 0.062 . 1 . . . . . 182 LEU N . 27558 1 231 . 1 1 186 186 SER H H 1 8.056 0.002 . 1 . . . . . 183 SER HN . 27558 1 232 . 1 1 186 186 SER N N 15 117.933 0.062 . 1 . . . . . 183 SER N . 27558 1 233 . 1 1 187 187 GLN H H 1 8.135 0.002 . 1 . . . . . 184 GLN HN . 27558 1 234 . 1 1 187 187 GLN N N 15 121.723 0.062 . 1 . . . . . 184 GLN N . 27558 1 235 . 1 1 188 188 THR H H 1 8.887 0.002 . 1 . . . . . 185 THR HN . 27558 1 236 . 1 1 188 188 THR N N 15 120.069 0.062 . 1 . . . . . 185 THR N . 27558 1 237 . 1 1 191 191 VAL H H 1 8.071 0.002 . 1 . . . . . 188 VAL HN . 27558 1 238 . 1 1 191 191 VAL N N 15 118.995 0.062 . 1 . . . . . 188 VAL N . 27558 1 239 . 1 1 192 192 ASP H H 1 8.448 0.002 . 1 . . . . . 189 ASP HN . 27558 1 240 . 1 1 192 192 ASP N N 15 122.728 0.062 . 1 . . . . . 189 ASP N . 27558 1 241 . 1 1 194 194 GLU H H 1 8.729 0.002 . 1 . . . . . 191 GLU HN . 27558 1 242 . 1 1 194 194 GLU N N 15 124.541 0.062 . 1 . . . . . 191 GLU N . 27558 1 243 . 1 1 195 195 GLU H H 1 9.149 0.002 . 1 . . . . . 192 GLU HN . 27558 1 244 . 1 1 195 195 GLU N N 15 116.964 0.062 . 1 . . . . . 192 GLU N . 27558 1 245 . 1 1 196 196 GLU H H 1 7.855 0.002 . 1 . . . . . 193 GLU HN . 27558 1 246 . 1 1 196 196 GLU N N 15 117.830 0.062 . 1 . . . . . 193 GLU N . 27558 1 247 . 1 1 197 197 ALA H H 1 7.436 0.002 . 1 . . . . . 194 ALA HN . 27558 1 248 . 1 1 197 197 ALA N N 15 122.503 0.062 . 1 . . . . . 194 ALA N . 27558 1 249 . 1 1 198 198 VAL H H 1 8.445 0.002 . 1 . . . . . 195 VAL HN . 27558 1 250 . 1 1 198 198 VAL N N 15 121.262 0.062 . 1 . . . . . 195 VAL N . 27558 1 251 . 1 1 199 199 THR H H 1 9.120 0.002 . 1 . . . . . 196 THR HN . 27558 1 252 . 1 1 199 199 THR N N 15 119.699 0.062 . 1 . . . . . 196 THR N . 27558 1 253 . 1 1 201 201 GLU H H 1 9.044 0.002 . 1 . . . . . 198 GLU HN . 27558 1 254 . 1 1 201 201 GLU N N 15 129.039 0.062 . 1 . . . . . 198 GLU N . 27558 1 255 . 1 1 202 202 MET H H 1 8.862 0.002 . 1 . . . . . 199 MET HN . 27558 1 256 . 1 1 202 202 MET N N 15 125.124 0.062 . 1 . . . . . 199 MET N . 27558 1 257 . 1 1 208 208 LEU H H 1 8.719 0.002 . 1 . . . . . 205 LEU HN . 27558 1 258 . 1 1 208 208 LEU N N 15 126.714 0.062 . 1 . . . . . 205 LEU N . 27558 1 259 . 1 1 210 210 PHE H H 1 9.348 0.002 . 1 . . . . . 207 PHE HN . 27558 1 260 . 1 1 210 210 PHE N N 15 119.541 0.062 . 1 . . . . . 207 PHE N . 27558 1 261 . 1 1 212 212 LEU H H 1 8.236 0.002 . 1 . . . . . 209 LEU HN . 27558 1 262 . 1 1 212 212 LEU N N 15 126.791 0.062 . 1 . . . . . 209 LEU N . 27558 1 263 . 1 1 217 217 PHE H H 1 7.094 0.002 . 1 . . . . . 214 PHE HN . 27558 1 264 . 1 1 217 217 PHE N N 15 117.825 0.062 . 1 . . . . . 214 PHE N . 27558 1 265 . 1 1 219 219 THR H H 1 7.804 0.002 . 1 . . . . . 216 THR HN . 27558 1 266 . 1 1 219 219 THR N N 15 102.343 0.062 . 1 . . . . . 216 THR N . 27558 1 267 . 1 1 220 220 LYS H H 1 7.760 0.002 . 1 . . . . . 217 LYS HN . 27558 1 268 . 1 1 220 220 LYS N N 15 126.008 0.062 . 1 . . . . . 217 LYS N . 27558 1 269 . 1 1 221 221 ALA H H 1 8.026 0.002 . 1 . . . . . 218 ALA HN . 27558 1 270 . 1 1 221 221 ALA N N 15 119.375 0.062 . 1 . . . . . 218 ALA N . 27558 1 271 . 1 1 224 224 LEU H H 1 8.427 0.002 . 1 . . . . . 221 LEU HN . 27558 1 272 . 1 1 224 224 LEU N N 15 115.435 0.062 . 1 . . . . . 221 LEU N . 27558 1 273 . 1 1 225 225 SER H H 1 7.525 0.002 . 1 . . . . . 222 SER HN . 27558 1 274 . 1 1 225 225 SER N N 15 108.455 0.062 . 1 . . . . . 222 SER N . 27558 1 275 . 1 1 227 227 THR H H 1 8.057 0.002 . 1 . . . . . 224 THR HN . 27558 1 276 . 1 1 227 227 THR N N 15 114.758 0.062 . 1 . . . . . 224 THR N . 27558 1 277 . 1 1 228 228 VAL H H 1 9.234 0.002 . 1 . . . . . 225 VAL HN . 27558 1 278 . 1 1 228 228 VAL N N 15 123.860 0.062 . 1 . . . . . 225 VAL N . 27558 1 279 . 1 1 230 230 LEU H H 1 9.489 0.002 . 1 . . . . . 227 LEU HN . 27558 1 280 . 1 1 230 230 LEU N N 15 127.106 0.062 . 1 . . . . . 227 LEU N . 27558 1 281 . 1 1 235 235 ASP H H 1 8.146 0.002 . 1 . . . . . 232 ASP HN . 27558 1 282 . 1 1 235 235 ASP N N 15 112.549 0.062 . 1 . . . . . 232 ASP N . 27558 1 283 . 1 1 240 240 VAL H H 1 9.129 0.002 . 1 . . . . . 237 VAL HN . 27558 1 284 . 1 1 240 240 VAL N N 15 129.653 0.062 . 1 . . . . . 237 VAL N . 27558 1 285 . 1 1 241 241 GLU H H 1 8.772 0.002 . 1 . . . . . 238 GLU HN . 27558 1 286 . 1 1 241 241 GLU N N 15 125.966 0.062 . 1 . . . . . 238 GLU N . 27558 1 287 . 1 1 242 242 TYR H H 1 9.319 0.002 . 1 . . . . . 239 TYR HN . 27558 1 288 . 1 1 242 242 TYR N N 15 127.256 0.062 . 1 . . . . . 239 TYR N . 27558 1 289 . 1 1 244 244 ILE H H 1 8.006 0.002 . 1 . . . . . 241 ILE HN . 27558 1 290 . 1 1 244 244 ILE N N 15 123.154 0.062 . 1 . . . . . 241 ILE N . 27558 1 291 . 1 1 245 245 ALA H H 1 8.962 0.002 . 1 . . . . . 242 ALA HN . 27558 1 292 . 1 1 245 245 ALA N N 15 130.200 0.062 . 1 . . . . . 242 ALA N . 27558 1 293 . 1 1 246 246 ASP H H 1 8.484 0.002 . 1 . . . . . 243 ASP HN . 27558 1 294 . 1 1 246 246 ASP N N 15 120.765 0.062 . 1 . . . . . 243 ASP N . 27558 1 295 . 1 1 247 247 MET H H 1 8.725 0.002 . 1 . . . . . 244 MET HN . 27558 1 296 . 1 1 247 247 MET N N 15 115.874 0.062 . 1 . . . . . 244 MET N . 27558 1 297 . 1 1 261 261 GLU H H 1 8.413 0.002 . 1 . . . . . 258 GLU HN . 27558 1 298 . 1 1 261 261 GLU N N 15 120.996 0.062 . 1 . . . . . 258 GLU N . 27558 1 299 . 1 1 263 263 GLY H H 1 8.402 0.002 . 1 . . . . . 260 GLY HN . 27558 1 300 . 1 1 263 263 GLY N N 15 110.372 0.062 . 1 . . . . . 260 GLY N . 27558 1 301 . 1 1 264 264 SER H H 1 7.865 0.002 . 1 . . . . . 261 SER HN . 27558 1 302 . 1 1 264 264 SER N N 15 121.179 0.062 . 1 . . . . . 261 SER N . 27558 1 stop_ save_