################################### # 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 7412 _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' . . . 7412 1 2 '3D 1H-15N NOESY' . . . 7412 1 3 '3D 1H-15N TOCSY' . . . 7412 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 3 3 GLY H H 1 8.640 0.002 . 1 . . . . 3 GLY H . 7412 1 2 . 1 1 3 3 GLY N N 15 110.762 0.02 . 1 . . . . 3 GLY N . 7412 1 3 . 1 1 4 4 ASP H H 1 8.133 0.002 . 1 . . . . 4 ASP H . 7412 1 4 . 1 1 4 4 ASP N N 15 121.223 0.02 . 1 . . . . 4 ASP N . 7412 1 5 . 1 1 6 6 LYS H H 1 8.351 0.002 . 1 . . . . 6 LYS H . 7412 1 6 . 1 1 6 6 LYS N N 15 120.045 0.02 . 1 . . . . 6 LYS N . 7412 1 7 . 1 1 7 7 LYS H H 1 7.918 0.002 . 1 . . . . 7 LYS H . 7412 1 8 . 1 1 7 7 LYS N N 15 123.584 0.02 . 1 . . . . 7 LYS N . 7412 1 9 . 1 1 9 9 ARG H H 1 8.915 0.002 . 1 . . . . 9 ARG H . 7412 1 10 . 1 1 9 9 ARG N N 15 124.204 0.02 . 1 . . . . 9 ARG N . 7412 1 11 . 1 1 10 10 GLY H H 1 8.640 0.002 . 1 . . . . 10 GLY H . 7412 1 12 . 1 1 10 10 GLY N N 15 110.762 0.02 . 1 . . . . 10 GLY N . 7412 1 13 . 1 1 11 11 LYS H H 1 7.658 0.002 . 1 . . . . 11 LYS H . 7412 1 14 . 1 1 11 11 LYS N N 15 119.992 0.02 . 1 . . . . 11 LYS N . 7412 1 15 . 1 1 12 12 MET H H 1 9.000 0.002 . 1 . . . . 12 MET H . 7412 1 16 . 1 1 12 12 MET N N 15 124.551 0.02 . 1 . . . . 12 MET N . 7412 1 17 . 1 1 13 13 SER H H 1 8.226 0.002 . 1 . . . . 13 SER H . 7412 1 18 . 1 1 13 13 SER N N 15 119.019 0.02 . 1 . . . . 13 SER N . 7412 1 19 . 1 1 14 14 SER H H 1 9.318 0.002 . 1 . . . . 14 SER H . 7412 1 20 . 1 1 14 14 SER N N 15 116.163 0.02 . 1 . . . . 14 SER N . 7412 1 21 . 1 1 15 15 TYR H H 1 7.974 0.002 . 1 . . . . 15 TYR H . 7412 1 22 . 1 1 15 15 TYR N N 15 121.760 0.02 . 1 . . . . 15 TYR N . 7412 1 23 . 1 1 16 16 ALA H H 1 7.908 0.002 . 1 . . . . 16 ALA H . 7412 1 24 . 1 1 16 16 ALA N N 15 121.741 0.02 . 1 . . . . 16 ALA N . 7412 1 25 . 1 1 17 17 PHE H H 1 8.309 0.002 . 1 . . . . 17 PHE H . 7412 1 26 . 1 1 17 17 PHE N N 15 117.920 0.02 . 1 . . . . 17 PHE N . 7412 1 27 . 1 1 18 18 PHE H H 1 8.085 0.002 . 1 . . . . 18 PHE H . 7412 1 28 . 1 1 18 18 PHE N N 15 125.039 0.02 . 1 . . . . 18 PHE N . 7412 1 29 . 1 1 19 19 VAL H H 1 8.474 0.002 . 1 . . . . 19 VAL H . 7412 1 30 . 1 1 19 19 VAL N N 15 122.453 0.02 . 1 . . . . 19 VAL N . 7412 1 31 . 1 1 20 20 GLN H H 1 7.835 0.002 . 1 . . . . 20 GLN H . 7412 1 32 . 1 1 20 20 GLN HE21 H 1 6.780 0.002 . 1 . . . . 20 GLN HE21 . 7412 1 33 . 1 1 20 20 GLN HE22 H 1 7.801 0.002 . 1 . . . . 20 GLN HE22 . 7412 1 34 . 1 1 20 20 GLN N N 15 118.141 0.02 . 1 . . . . 20 GLN N . 7412 1 35 . 1 1 20 20 GLN NE2 N 15 111.447 0.02 . 1 . . . . 20 GLN NE2 . 7412 1 36 . 1 1 21 21 THR H H 1 8.159 0.002 . 1 . . . . 21 THR H . 7412 1 37 . 1 1 21 21 THR N N 15 116.409 0.02 . 1 . . . . 21 THR N . 7412 1 38 . 1 1 22 22 CYS H H 1 8.362 0.002 . 1 . . . . 22 CYS H . 7412 1 39 . 1 1 22 22 CYS N N 15 120.626 0.02 . 1 . . . . 22 CYS N . 7412 1 40 . 1 1 23 23 ARG H H 1 8.874 0.002 . 1 . . . . 23 ARG H . 7412 1 41 . 1 1 23 23 ARG N N 15 122.729 0.02 . 1 . . . . 23 ARG N . 7412 1 42 . 1 1 24 24 GLU H H 1 8.131 0.002 . 1 . . . . 24 GLU H . 7412 1 43 . 1 1 24 24 GLU N N 15 120.210 0.02 . 1 . . . . 24 GLU N . 7412 1 44 . 1 1 25 25 GLU H H 1 8.282 0.002 . 1 . . . . 25 GLU H . 7412 1 45 . 1 1 25 25 GLU N N 15 119.499 0.02 . 1 . . . . 25 GLU N . 7412 1 46 . 1 1 26 26 HIS H H 1 8.192 0.002 . 1 . . . . 26 HIS H . 7412 1 47 . 1 1 26 26 HIS N N 15 119.942 0.02 . 1 . . . . 26 HIS N . 7412 1 48 . 1 1 27 27 LYS H H 1 7.894 0.002 . 1 . . . . 27 LYS H . 7412 1 49 . 1 1 27 27 LYS N N 15 117.658 0.02 . 1 . . . . 27 LYS N . 7412 1 50 . 1 1 28 28 LYS H H 1 7.463 0.002 . 1 . . . . 28 LYS H . 7412 1 51 . 1 1 28 28 LYS N N 15 116.251 0.02 . 1 . . . . 28 LYS N . 7412 1 52 . 1 1 29 29 LYS H H 1 7.416 0.002 . 1 . . . . 29 LYS H . 7412 1 53 . 1 1 29 29 LYS N N 15 116.645 0.02 . 1 . . . . 29 LYS N . 7412 1 54 . 1 1 30 30 HIS H H 1 7.989 0.002 . 1 . . . . 30 HIS H . 7412 1 55 . 1 1 30 30 HIS N N 15 116.027 0.02 . 1 . . . . 30 HIS N . 7412 1 56 . 1 1 32 32 ASP H H 1 8.501 0.002 . 1 . . . . 32 ASP H . 7412 1 57 . 1 1 32 32 ASP N N 15 115.867 0.02 . 1 . . . . 32 ASP N . 7412 1 58 . 1 1 33 33 ALA H H 1 7.517 0.002 . 1 . . . . 33 ALA H . 7412 1 59 . 1 1 33 33 ALA N N 15 122.558 0.02 . 1 . . . . 33 ALA N . 7412 1 60 . 1 1 34 34 SER H H 1 8.553 0.002 . 1 . . . . 34 SER H . 7412 1 61 . 1 1 34 34 SER N N 15 117.245 0.02 . 1 . . . . 34 SER N . 7412 1 62 . 1 1 35 35 VAL H H 1 8.268 0.002 . 1 . . . . 35 VAL H . 7412 1 63 . 1 1 35 35 VAL N N 15 122.595 0.02 . 1 . . . . 35 VAL N . 7412 1 64 . 1 1 36 36 ASN H H 1 8.656 0.002 . 1 . . . . 36 ASN H . 7412 1 65 . 1 1 36 36 ASN HD21 H 1 7.037 0.002 . 1 . . . . 36 ASN HD21 . 7412 1 66 . 1 1 36 36 ASN HD22 H 1 7.713 0.002 . 1 . . . . 36 ASN HD22 . 7412 1 67 . 1 1 36 36 ASN N N 15 125.044 0.02 . 1 . . . . 36 ASN N . 7412 1 68 . 1 1 36 36 ASN ND2 N 15 112.940 0.02 . 1 . . . . 36 ASN ND2 . 7412 1 69 . 1 1 39 39 GLU H H 1 7.844 0.002 . 1 . . . . 39 GLU H . 7412 1 70 . 1 1 39 39 GLU N N 15 121.971 0.02 . 1 . . . . 39 GLU N . 7412 1 71 . 1 1 40 40 PHE H H 1 8.521 0.002 . 1 . . . . 40 PHE H . 7412 1 72 . 1 1 40 40 PHE N N 15 121.400 0.02 . 1 . . . . 40 PHE N . 7412 1 73 . 1 1 41 41 SER H H 1 8.457 0.002 . 1 . . . . 41 SER H . 7412 1 74 . 1 1 41 41 SER N N 15 114.707 0.02 . 1 . . . . 41 SER N . 7412 1 75 . 1 1 42 42 LYS H H 1 7.495 0.002 . 1 . . . . 42 LYS H . 7412 1 76 . 1 1 42 42 LYS N N 15 121.866 0.02 . 1 . . . . 42 LYS N . 7412 1 77 . 1 1 43 43 LYS H H 1 7.805 0.002 . 1 . . . . 43 LYS H . 7412 1 78 . 1 1 43 43 LYS N N 15 119.409 0.02 . 1 . . . . 43 LYS N . 7412 1 79 . 1 1 44 44 CYS H H 1 8.014 0.002 . 1 . . . . 44 CYS H . 7412 1 80 . 1 1 44 44 CYS N N 15 117.329 0.02 . 1 . . . . 44 CYS N . 7412 1 81 . 1 1 45 45 SER H H 1 8.308 0.002 . 1 . . . . 45 SER H . 7412 1 82 . 1 1 45 45 SER N N 15 116.979 0.02 . 1 . . . . 45 SER N . 7412 1 83 . 1 1 46 46 GLU H H 1 8.021 0.002 . 1 . . . . 46 GLU H . 7412 1 84 . 1 1 46 46 GLU N N 15 120.795 0.02 . 1 . . . . 46 GLU N . 7412 1 85 . 1 1 47 47 ARG H H 1 8.002 0.002 . 1 . . . . 47 ARG H . 7412 1 86 . 1 1 47 47 ARG N N 15 119.399 0.02 . 1 . . . . 47 ARG N . 7412 1 87 . 1 1 48 48 TRP H H 1 8.652 0.002 . 1 . . . . 48 TRP H . 7412 1 88 . 1 1 48 48 TRP HE1 H 1 10.153 0.002 . 1 . . . . 48 TRP HE1 . 7412 1 89 . 1 1 48 48 TRP N N 15 120.622 0.02 . 1 . . . . 48 TRP N . 7412 1 90 . 1 1 48 48 TRP NE1 N 15 127.915 0.02 . 1 . . . . 48 TRP NE1 . 7412 1 91 . 1 1 49 49 LYS H H 1 7.584 0.002 . 1 . . . . 49 LYS H . 7412 1 92 . 1 1 49 49 LYS N N 15 114.487 0.02 . 1 . . . . 49 LYS N . 7412 1 93 . 1 1 50 50 THR H H 1 7.384 0.002 . 1 . . . . 50 THR H . 7412 1 94 . 1 1 50 50 THR N N 15 106.281 0.02 . 1 . . . . 50 THR N . 7412 1 95 . 1 1 51 51 MET H H 1 7.104 0.002 . 1 . . . . 51 MET H . 7412 1 96 . 1 1 51 51 MET N N 15 123.563 0.02 . 1 . . . . 51 MET N . 7412 1 97 . 1 1 52 52 SER H H 1 8.987 0.002 . 1 . . . . 52 SER H . 7412 1 98 . 1 1 52 52 SER N N 15 119.698 0.02 . 1 . . . . 52 SER N . 7412 1 99 . 1 1 53 53 ALA H H 1 8.834 0.002 . 1 . . . . 53 ALA H . 7412 1 100 . 1 1 53 53 ALA N N 15 123.004 0.02 . 1 . . . . 53 ALA N . 7412 1 101 . 1 1 54 54 LYS H H 1 8.234 0.002 . 1 . . . . 54 LYS H . 7412 1 102 . 1 1 54 54 LYS N N 15 117.779 0.02 . 1 . . . . 54 LYS N . 7412 1 103 . 1 1 55 55 GLU H H 1 7.647 0.002 . 1 . . . . 55 GLU H . 7412 1 104 . 1 1 55 55 GLU N N 15 120.129 0.02 . 1 . . . . 55 GLU N . 7412 1 105 . 1 1 56 56 LYS H H 1 8.110 0.002 . 1 . . . . 56 LYS H . 7412 1 106 . 1 1 56 56 LYS N N 15 116.828 0.02 . 1 . . . . 56 LYS N . 7412 1 107 . 1 1 57 57 GLY H H 1 7.830 0.002 . 1 . . . . 57 GLY H . 7412 1 108 . 1 1 57 57 GLY N N 15 106.860 0.02 . 1 . . . . 57 GLY N . 7412 1 109 . 1 1 58 58 LYS H H 1 7.878 0.002 . 1 . . . . 58 LYS H . 7412 1 110 . 1 1 58 58 LYS N N 15 119.152 0.02 . 1 . . . . 58 LYS N . 7412 1 111 . 1 1 59 59 PHE H H 1 7.280 0.002 . 1 . . . . 59 PHE H . 7412 1 112 . 1 1 59 59 PHE N N 15 119.656 0.02 . 1 . . . . 59 PHE N . 7412 1 113 . 1 1 60 60 GLU H H 1 8.403 0.002 . 1 . . . . 60 GLU H . 7412 1 114 . 1 1 60 60 GLU N N 15 121.959 0.02 . 1 . . . . 60 GLU N . 7412 1 115 . 1 1 61 61 ASP H H 1 8.606 0.002 . 1 . . . . 61 ASP H . 7412 1 116 . 1 1 61 61 ASP N N 15 121.009 0.02 . 1 . . . . 61 ASP N . 7412 1 117 . 1 1 62 62 MET H H 1 7.356 0.002 . 1 . . . . 62 MET H . 7412 1 118 . 1 1 62 62 MET N N 15 120.658 0.02 . 1 . . . . 62 MET N . 7412 1 119 . 1 1 63 63 ALA H H 1 7.994 0.002 . 1 . . . . 63 ALA H . 7412 1 120 . 1 1 63 63 ALA N N 15 123.098 0.02 . 1 . . . . 63 ALA N . 7412 1 121 . 1 1 64 64 LYS H H 1 8.584 0.002 . 1 . . . . 64 LYS H . 7412 1 122 . 1 1 64 64 LYS N N 15 122.135 0.02 . 1 . . . . 64 LYS N . 7412 1 123 . 1 1 65 65 ALA H H 1 7.908 0.002 . 1 . . . . 65 ALA H . 7412 1 124 . 1 1 65 65 ALA N N 15 122.605 0.02 . 1 . . . . 65 ALA N . 7412 1 125 . 1 1 66 66 ASP H H 1 8.328 0.002 . 1 . . . . 66 ASP H . 7412 1 126 . 1 1 66 66 ASP N N 15 120.307 0.02 . 1 . . . . 66 ASP N . 7412 1 127 . 1 1 67 67 LYS H H 1 8.214 0.002 . 1 . . . . 67 LYS H . 7412 1 128 . 1 1 67 67 LYS N N 15 120.449 0.02 . 1 . . . . 67 LYS N . 7412 1 129 . 1 1 68 68 ALA H H 1 7.448 0.002 . 1 . . . . 68 ALA H . 7412 1 130 . 1 1 68 68 ALA N N 15 120.567 0.02 . 1 . . . . 68 ALA N . 7412 1 131 . 1 1 69 69 ARG H H 1 7.944 0.002 . 1 . . . . 69 ARG H . 7412 1 132 . 1 1 69 69 ARG N N 15 120.800 0.02 . 1 . . . . 69 ARG N . 7412 1 133 . 1 1 70 70 TYR H H 1 8.576 0.002 . 1 . . . . 70 TYR H . 7412 1 134 . 1 1 70 70 TYR N N 15 121.719 0.02 . 1 . . . . 70 TYR N . 7412 1 135 . 1 1 71 71 GLU H H 1 8.433 0.002 . 1 . . . . 71 GLU H . 7412 1 136 . 1 1 71 71 GLU N N 15 116.759 0.02 . 1 . . . . 71 GLU N . 7412 1 137 . 1 1 72 72 ARG H H 1 7.994 0.002 . 1 . . . . 72 ARG H . 7412 1 138 . 1 1 72 72 ARG N N 15 119.199 0.02 . 1 . . . . 72 ARG N . 7412 1 139 . 1 1 73 73 GLU H H 1 8.471 0.002 . 1 . . . . 73 GLU H . 7412 1 140 . 1 1 73 73 GLU N N 15 119.649 0.02 . 1 . . . . 73 GLU N . 7412 1 141 . 1 1 74 74 MET H H 1 8.461 0.002 . 1 . . . . 74 MET H . 7412 1 142 . 1 1 74 74 MET N N 15 117.232 0.02 . 1 . . . . 74 MET N . 7412 1 143 . 1 1 75 75 LYS H H 1 7.484 0.002 . 1 . . . . 75 LYS H . 7412 1 144 . 1 1 75 75 LYS N N 15 118.555 0.02 . 1 . . . . 75 LYS N . 7412 1 145 . 1 1 76 76 THR H H 1 7.281 0.002 . 1 . . . . 76 THR H . 7412 1 146 . 1 1 76 76 THR N N 15 106.338 0.02 . 1 . . . . 76 THR N . 7412 1 147 . 1 1 77 77 TYR H H 1 7.441 0.002 . 1 . . . . 77 TYR H . 7412 1 148 . 1 1 77 77 TYR N N 15 123.580 0.02 . 1 . . . . 77 TYR N . 7412 1 149 . 1 1 78 78 ILE H H 1 7.782 0.002 . 1 . . . . 78 ILE H . 7412 1 150 . 1 1 78 78 ILE N N 15 129.426 0.02 . 1 . . . . 78 ILE N . 7412 1 151 . 1 1 82 82 GLY H H 1 8.449 0.002 . 1 . . . . 82 GLY H . 7412 1 152 . 1 1 82 82 GLY N N 15 109.836 0.02 . 1 . . . . 82 GLY N . 7412 1 153 . 1 1 84 84 THR H H 1 8.320 0.002 . 1 . . . . 84 THR H . 7412 1 154 . 1 1 84 84 THR N N 15 116.222 0.02 . 1 . . . . 84 THR N . 7412 1 155 . 1 1 85 85 LYS H H 1 8.413 0.002 . 1 . . . . 85 LYS H . 7412 1 156 . 1 1 85 85 LYS N N 15 124.089 0.02 . 1 . . . . 85 LYS N . 7412 1 157 . 1 1 88 88 PHE H H 1 8.366 0.002 . 1 . . . . 88 PHE H . 7412 1 158 . 1 1 88 88 PHE N N 15 121.986 0.02 . 1 . . . . 88 PHE N . 7412 1 159 . 1 1 92 92 ASN H H 1 8.334 0.002 . 1 . . . . 92 ASN H . 7412 1 160 . 1 1 92 92 ASN HD21 H 1 7.057 0.002 . 1 . . . . 92 ASN HD21 . 7412 1 161 . 1 1 92 92 ASN HD22 H 1 7.888 0.002 . 1 . . . . 92 ASN HD22 . 7412 1 162 . 1 1 92 92 ASN N N 15 115.452 0.02 . 1 . . . . 92 ASN N . 7412 1 163 . 1 1 92 92 ASN ND2 N 15 114.493 0.02 . 1 . . . . 92 ASN ND2 . 7412 1 164 . 1 1 93 93 ALA H H 1 7.171 0.002 . 1 . . . . 93 ALA H . 7412 1 165 . 1 1 93 93 ALA N N 15 123.311 0.02 . 1 . . . . 93 ALA N . 7412 1 166 . 1 1 95 95 LYS H H 1 8.466 0.002 . 1 . . . . 95 LYS H . 7412 1 167 . 1 1 95 95 LYS N N 15 123.477 0.02 . 1 . . . . 95 LYS N . 7412 1 168 . 1 1 96 96 ARG H H 1 8.335 0.002 . 1 . . . . 96 ARG H . 7412 1 169 . 1 1 96 96 ARG N N 15 122.736 0.02 . 1 . . . . 96 ARG N . 7412 1 170 . 1 1 99 99 SER H H 1 7.912 0.002 . 1 . . . . 99 SER H . 7412 1 171 . 1 1 99 99 SER N N 15 114.539 0.02 . 1 . . . . 99 SER N . 7412 1 172 . 1 1 100 100 ALA H H 1 9.015 0.002 . 1 . . . . 100 ALA H . 7412 1 173 . 1 1 100 100 ALA N N 15 122.351 0.02 . 1 . . . . 100 ALA N . 7412 1 174 . 1 1 101 101 PHE H H 1 8.387 0.002 . 1 . . . . 101 PHE H . 7412 1 175 . 1 1 101 101 PHE N N 15 115.691 0.02 . 1 . . . . 101 PHE N . 7412 1 176 . 1 1 102 102 PHE H H 1 8.167 0.002 . 1 . . . . 102 PHE H . 7412 1 177 . 1 1 102 102 PHE N N 15 122.562 0.02 . 1 . . . . 102 PHE N . 7412 1 178 . 1 1 103 103 LEU H H 1 8.266 0.002 . 1 . . . . 103 LEU H . 7412 1 179 . 1 1 103 103 LEU N N 15 120.906 0.02 . 1 . . . . 103 LEU N . 7412 1 180 . 1 1 104 104 PHE H H 1 8.107 0.002 . 1 . . . . 104 PHE H . 7412 1 181 . 1 1 104 104 PHE N N 15 123.675 0.02 . 1 . . . . 104 PHE N . 7412 1 182 . 1 1 105 105 CYS H H 1 8.464 0.002 . 1 . . . . 105 CYS H . 7412 1 183 . 1 1 105 105 CYS N N 15 118.017 0.02 . 1 . . . . 105 CYS N . 7412 1 184 . 1 1 106 106 SER H H 1 8.097 0.002 . 1 . . . . 106 SER H . 7412 1 185 . 1 1 106 106 SER N N 15 114.701 0.02 . 1 . . . . 106 SER N . 7412 1 186 . 1 1 107 107 GLU H H 1 7.103 0.002 . 1 . . . . 107 GLU H . 7412 1 187 . 1 1 107 107 GLU N N 15 118.760 0.02 . 1 . . . . 107 GLU N . 7412 1 188 . 1 1 108 108 TYR H H 1 7.888 0.002 . 1 . . . . 108 TYR H . 7412 1 189 . 1 1 108 108 TYR N N 15 114.244 0.02 . 1 . . . . 108 TYR N . 7412 1 190 . 1 1 109 109 ARG H H 1 9.186 0.002 . 1 . . . . 109 ARG H . 7412 1 191 . 1 1 109 109 ARG N N 15 123.290 0.02 . 1 . . . . 109 ARG N . 7412 1 192 . 1 1 111 111 LYS H H 1 6.759 0.002 . 1 . . . . 111 LYS H . 7412 1 193 . 1 1 111 111 LYS N N 15 117.307 0.02 . 1 . . . . 111 LYS N . 7412 1 194 . 1 1 112 112 ILE H H 1 8.137 0.002 . 1 . . . . 112 ILE H . 7412 1 195 . 1 1 112 112 ILE N N 15 119.503 0.02 . 1 . . . . 112 ILE N . 7412 1 196 . 1 1 113 113 LYS H H 1 8.207 0.002 . 1 . . . . 113 LYS H . 7412 1 197 . 1 1 113 113 LYS N N 15 118.352 0.02 . 1 . . . . 113 LYS N . 7412 1 198 . 1 1 114 114 GLY H H 1 7.596 0.002 . 1 . . . . 114 GLY H . 7412 1 199 . 1 1 114 114 GLY N N 15 103.441 0.02 . 1 . . . . 114 GLY N . 7412 1 200 . 1 1 115 115 GLU H H 1 7.467 0.002 . 1 . . . . 115 GLU H . 7412 1 201 . 1 1 115 115 GLU N N 15 119.025 0.02 . 1 . . . . 115 GLU N . 7412 1 202 . 1 1 116 116 HIS H H 1 7.885 0.002 . 1 . . . . 116 HIS H . 7412 1 203 . 1 1 116 116 HIS N N 15 116.211 0.02 . 1 . . . . 116 HIS N . 7412 1 204 . 1 1 118 118 GLY H H 1 8.748 0.002 . 1 . . . . 118 GLY H . 7412 1 205 . 1 1 118 118 GLY N N 15 107.402 0.02 . 1 . . . . 118 GLY N . 7412 1 206 . 1 1 119 119 LEU H H 1 7.335 0.002 . 1 . . . . 119 LEU H . 7412 1 207 . 1 1 119 119 LEU N N 15 120.801 0.02 . 1 . . . . 119 LEU N . 7412 1 208 . 1 1 120 120 SER H H 1 9.257 0.002 . 1 . . . . 120 SER H . 7412 1 209 . 1 1 120 120 SER N N 15 120.628 0.02 . 1 . . . . 120 SER N . 7412 1 210 . 1 1 121 121 ILE H H 1 8.714 0.002 . 1 . . . . 121 ILE H . 7412 1 211 . 1 1 121 121 ILE N N 15 120.263 0.02 . 1 . . . . 121 ILE N . 7412 1 212 . 1 1 122 122 GLY H H 1 8.679 0.002 . 1 . . . . 122 GLY H . 7412 1 213 . 1 1 122 122 GLY N N 15 109.091 0.02 . 1 . . . . 122 GLY N . 7412 1 214 . 1 1 123 123 ASP H H 1 7.921 0.002 . 1 . . . . 123 ASP H . 7412 1 215 . 1 1 123 123 ASP N N 15 123.919 0.02 . 1 . . . . 123 ASP N . 7412 1 216 . 1 1 124 124 VAL H H 1 8.568 0.002 . 1 . . . . 124 VAL H . 7412 1 217 . 1 1 124 124 VAL N N 15 123.500 0.02 . 1 . . . . 124 VAL N . 7412 1 218 . 1 1 125 125 ALA H H 1 7.876 0.002 . 1 . . . . 125 ALA H . 7412 1 219 . 1 1 125 125 ALA N N 15 120.941 0.02 . 1 . . . . 125 ALA N . 7412 1 220 . 1 1 126 126 LYS H H 1 7.985 0.002 . 1 . . . . 126 LYS H . 7412 1 221 . 1 1 126 126 LYS N N 15 119.356 0.02 . 1 . . . . 126 LYS N . 7412 1 222 . 1 1 127 127 LYS H H 1 7.997 0.002 . 1 . . . . 127 LYS H . 7412 1 223 . 1 1 127 127 LYS N N 15 120.858 0.02 . 1 . . . . 127 LYS N . 7412 1 224 . 1 1 128 128 LEU H H 1 8.594 0.002 . 1 . . . . 128 LEU H . 7412 1 225 . 1 1 128 128 LEU N N 15 119.755 0.02 . 1 . . . . 128 LEU N . 7412 1 226 . 1 1 129 129 GLY H H 1 8.205 0.002 . 1 . . . . 129 GLY H . 7412 1 227 . 1 1 129 129 GLY N N 15 105.610 0.02 . 1 . . . . 129 GLY N . 7412 1 228 . 1 1 130 130 GLU H H 1 8.024 0.002 . 1 . . . . 130 GLU H . 7412 1 229 . 1 1 130 130 GLU N N 15 122.863 0.02 . 1 . . . . 130 GLU N . 7412 1 230 . 1 1 131 131 MET H H 1 8.724 0.002 . 1 . . . . 131 MET H . 7412 1 231 . 1 1 131 131 MET N N 15 118.535 0.02 . 1 . . . . 131 MET N . 7412 1 232 . 1 1 132 132 TRP H H 1 8.668 0.002 . 1 . . . . 132 TRP H . 7412 1 233 . 1 1 132 132 TRP HE1 H 1 10.060 0.002 . 1 . . . . 132 TRP HE1 . 7412 1 234 . 1 1 132 132 TRP N N 15 122.208 0.02 . 1 . . . . 132 TRP N . 7412 1 235 . 1 1 132 132 TRP NE1 N 15 128.052 0.02 . 1 . . . . 132 TRP NE1 . 7412 1 236 . 1 1 133 133 ASN H H 1 8.115 0.002 . 1 . . . . 133 ASN H . 7412 1 237 . 1 1 133 133 ASN HD21 H 1 6.810 0.002 . 1 . . . . 133 ASN HD21 . 7412 1 238 . 1 1 133 133 ASN HD22 H 1 7.537 0.002 . 1 . . . . 133 ASN HD22 . 7412 1 239 . 1 1 133 133 ASN N N 15 116.874 0.02 . 1 . . . . 133 ASN N . 7412 1 240 . 1 1 133 133 ASN ND2 N 15 112.168 0.02 . 1 . . . . 133 ASN ND2 . 7412 1 241 . 1 1 134 134 ASN H H 1 7.541 0.002 . 1 . . . . 134 ASN H . 7412 1 242 . 1 1 134 134 ASN HD21 H 1 6.937 0.002 . 1 . . . . 134 ASN HD21 . 7412 1 243 . 1 1 134 134 ASN HD22 H 1 7.573 0.002 . 1 . . . . 134 ASN HD22 . 7412 1 244 . 1 1 134 134 ASN N N 15 115.490 0.02 . 1 . . . . 134 ASN N . 7412 1 245 . 1 1 134 134 ASN ND2 N 15 112.696 0.02 . 1 . . . . 134 ASN ND2 . 7412 1 246 . 1 1 135 135 THR H H 1 7.249 0.002 . 1 . . . . 135 THR H . 7412 1 247 . 1 1 135 135 THR N N 15 119.422 0.02 . 1 . . . . 135 THR N . 7412 1 248 . 1 1 136 136 ALA H H 1 9.185 0.002 . 1 . . . . 136 ALA H . 7412 1 249 . 1 1 136 136 ALA N N 15 130.958 0.02 . 1 . . . . 136 ALA N . 7412 1 250 . 1 1 137 137 ALA H H 1 8.798 0.002 . 1 . . . . 137 ALA H . 7412 1 251 . 1 1 137 137 ALA N N 15 124.548 0.02 . 1 . . . . 137 ALA N . 7412 1 252 . 1 1 138 138 ASP H H 1 8.934 0.002 . 1 . . . . 138 ASP H . 7412 1 253 . 1 1 138 138 ASP N N 15 115.319 0.02 . 1 . . . . 138 ASP N . 7412 1 254 . 1 1 139 139 ASP H H 1 7.294 0.002 . 1 . . . . 139 ASP H . 7412 1 255 . 1 1 139 139 ASP N N 15 117.471 0.02 . 1 . . . . 139 ASP N . 7412 1 256 . 1 1 140 140 LYS H H 1 7.754 0.002 . 1 . . . . 140 LYS H . 7412 1 257 . 1 1 140 140 LYS N N 15 118.600 0.02 . 1 . . . . 140 LYS N . 7412 1 258 . 1 1 141 141 GLN H H 1 7.397 0.002 . 1 . . . . 141 GLN H . 7412 1 259 . 1 1 141 141 GLN HE21 H 1 6.893 0.002 . 1 . . . . 141 GLN HE21 . 7412 1 260 . 1 1 141 141 GLN HE22 H 1 7.609 0.002 . 1 . . . . 141 GLN HE22 . 7412 1 261 . 1 1 141 141 GLN N N 15 117.853 0.02 . 1 . . . . 141 GLN N . 7412 1 262 . 1 1 141 141 GLN NE2 N 15 111.560 0.02 . 1 . . . . 141 GLN NE2 . 7412 1 263 . 1 1 143 143 TYR H H 1 7.174 0.002 . 1 . . . . 143 TYR H . 7412 1 264 . 1 1 143 143 TYR N N 15 115.248 0.02 . 1 . . . . 143 TYR N . 7412 1 265 . 1 1 144 144 GLU H H 1 8.127 0.002 . 1 . . . . 144 GLU H . 7412 1 266 . 1 1 144 144 GLU N N 15 119.398 0.02 . 1 . . . . 144 GLU N . 7412 1 267 . 1 1 145 145 LYS H H 1 9.136 0.002 . 1 . . . . 145 LYS H . 7412 1 268 . 1 1 145 145 LYS N N 15 120.796 0.02 . 1 . . . . 145 LYS N . 7412 1 269 . 1 1 146 146 LYS H H 1 7.653 0.002 . 1 . . . . 146 LYS H . 7412 1 270 . 1 1 146 146 LYS N N 15 120.183 0.02 . 1 . . . . 146 LYS N . 7412 1 271 . 1 1 147 147 ALA H H 1 8.443 0.002 . 1 . . . . 147 ALA H . 7412 1 272 . 1 1 147 147 ALA N N 15 120.732 0.02 . 1 . . . . 147 ALA N . 7412 1 273 . 1 1 148 148 ALA H H 1 8.335 0.002 . 1 . . . . 148 ALA H . 7412 1 274 . 1 1 148 148 ALA N N 15 121.646 0.02 . 1 . . . . 148 ALA N . 7412 1 275 . 1 1 149 149 LYS H H 1 7.922 0.002 . 1 . . . . 149 LYS H . 7412 1 276 . 1 1 149 149 LYS N N 15 120.282 0.02 . 1 . . . . 149 LYS N . 7412 1 277 . 1 1 150 150 LEU H H 1 8.224 0.002 . 1 . . . . 150 LEU H . 7412 1 278 . 1 1 150 150 LEU N N 15 119.654 0.02 . 1 . . . . 150 LEU N . 7412 1 279 . 1 1 151 151 LYS H H 1 8.407 0.002 . 1 . . . . 151 LYS H . 7412 1 280 . 1 1 151 151 LYS N N 15 123.325 0.02 . 1 . . . . 151 LYS N . 7412 1 281 . 1 1 152 152 GLU H H 1 8.043 0.002 . 1 . . . . 152 GLU H . 7412 1 282 . 1 1 152 152 GLU N N 15 119.697 0.02 . 1 . . . . 152 GLU N . 7412 1 283 . 1 1 153 153 LYS H H 1 7.685 0.002 . 1 . . . . 153 LYS H . 7412 1 284 . 1 1 153 153 LYS N N 15 119.269 0.02 . 1 . . . . 153 LYS N . 7412 1 285 . 1 1 154 154 TYR H H 1 8.099 0.002 . 1 . . . . 154 TYR H . 7412 1 286 . 1 1 154 154 TYR N N 15 120.123 0.02 . 1 . . . . 154 TYR N . 7412 1 287 . 1 1 155 155 GLU H H 1 8.491 0.002 . 1 . . . . 155 GLU H . 7412 1 288 . 1 1 155 155 GLU N N 15 117.298 0.02 . 1 . . . . 155 GLU N . 7412 1 289 . 1 1 156 156 LYS H H 1 7.608 0.002 . 1 . . . . 156 LYS H . 7412 1 290 . 1 1 156 156 LYS N N 15 119.982 0.02 . 1 . . . . 156 LYS N . 7412 1 291 . 1 1 157 157 ASP H H 1 8.829 0.002 . 1 . . . . 157 ASP H . 7412 1 292 . 1 1 157 157 ASP N N 15 122.816 0.02 . 1 . . . . 157 ASP N . 7412 1 293 . 1 1 158 158 ILE H H 1 9.231 0.002 . 1 . . . . 158 ILE H . 7412 1 294 . 1 1 158 158 ILE N N 15 122.338 0.02 . 1 . . . . 158 ILE N . 7412 1 295 . 1 1 159 159 ALA H H 1 7.292 0.002 . 1 . . . . 159 ALA H . 7412 1 296 . 1 1 159 159 ALA N N 15 124.592 0.02 . 1 . . . . 159 ALA N . 7412 1 297 . 1 1 160 160 ALA H H 1 7.712 0.002 . 1 . . . . 160 ALA H . 7412 1 298 . 1 1 160 160 ALA N N 15 119.971 0.02 . 1 . . . . 160 ALA N . 7412 1 299 . 1 1 161 161 TYR H H 1 8.137 0.002 . 1 . . . . 161 TYR H . 7412 1 300 . 1 1 161 161 TYR N N 15 119.957 0.02 . 1 . . . . 161 TYR N . 7412 1 301 . 1 1 162 162 ARG H H 1 8.328 0.002 . 1 . . . . 162 ARG H . 7412 1 302 . 1 1 162 162 ARG N N 15 118.633 0.02 . 1 . . . . 162 ARG N . 7412 1 303 . 1 1 163 163 ALA H H 1 7.579 0.002 . 1 . . . . 163 ALA H . 7412 1 304 . 1 1 163 163 ALA N N 15 120.850 0.02 . 1 . . . . 163 ALA N . 7412 1 305 . 1 1 164 164 LYS H H 1 7.585 0.002 . 1 . . . . 164 LYS H . 7412 1 306 . 1 1 164 164 LYS N N 15 117.770 0.02 . 1 . . . . 164 LYS N . 7412 1 307 . 1 1 165 165 GLY H H 1 7.998 0.002 . 1 . . . . 165 GLY H . 7412 1 308 . 1 1 165 165 GLY N N 15 108.163 0.02 . 1 . . . . 165 GLY N . 7412 1 309 . 1 1 166 166 LYS H H 1 8.029 0.002 . 1 . . . . 166 LYS H . 7412 1 310 . 1 1 166 166 LYS N N 15 121.320 0.02 . 1 . . . . 166 LYS N . 7412 1 311 . 1 1 168 168 ASP H H 1 8.416 0.002 . 1 . . . . 168 ASP H . 7412 1 312 . 1 1 168 168 ASP N N 15 120.021 0.02 . 1 . . . . 168 ASP N . 7412 1 313 . 1 1 169 169 ALA H H 1 8.206 0.002 . 1 . . . . 169 ALA H . 7412 1 314 . 1 1 169 169 ALA N N 15 124.429 0.02 . 1 . . . . 169 ALA N . 7412 1 315 . 1 1 170 170 ALA H H 1 8.204 0.002 . 1 . . . . 170 ALA H . 7412 1 316 . 1 1 170 170 ALA N N 15 121.731 0.02 . 1 . . . . 170 ALA N . 7412 1 317 . 1 1 171 171 LYS H H 1 8.057 0.002 . 1 . . . . 171 LYS H . 7412 1 318 . 1 1 171 171 LYS N N 15 119.719 0.02 . 1 . . . . 171 LYS N . 7412 1 319 . 1 1 172 172 LYS H H 1 8.241 0.002 . 1 . . . . 172 LYS H . 7412 1 320 . 1 1 172 172 LYS N N 15 121.925 0.02 . 1 . . . . 172 LYS N . 7412 1 321 . 1 1 173 173 GLY H H 1 8.411 0.002 . 1 . . . . 173 GLY H . 7412 1 322 . 1 1 173 173 GLY N N 15 109.780 0.02 . 1 . . . . 173 GLY N . 7412 1 323 . 1 1 174 174 VAL H H 1 7.963 0.002 . 1 . . . . 174 VAL H . 7412 1 324 . 1 1 174 174 VAL N N 15 119.518 0.02 . 1 . . . . 174 VAL N . 7412 1 325 . 1 1 175 175 VAL H H 1 8.277 0.002 . 1 . . . . 175 VAL H . 7412 1 326 . 1 1 175 175 VAL N N 15 124.813 0.02 . 1 . . . . 175 VAL N . 7412 1 327 . 1 1 176 176 LYS H H 1 8.445 0.002 . 1 . . . . 176 LYS H . 7412 1 328 . 1 1 176 176 LYS N N 15 126.069 0.02 . 1 . . . . 176 LYS N . 7412 1 329 . 1 1 177 177 ALA H H 1 8.380 0.002 . 1 . . . . 177 ALA H . 7412 1 330 . 1 1 177 177 ALA N N 15 125.783 0.02 . 1 . . . . 177 ALA N . 7412 1 331 . 1 1 178 178 GLU H H 1 8.415 0.002 . 1 . . . . 178 GLU H . 7412 1 332 . 1 1 178 178 GLU N N 15 120.579 0.02 . 1 . . . . 178 GLU N . 7412 1 333 . 1 1 179 179 LYS H H 1 8.298 0.002 . 1 . . . . 179 LYS H . 7412 1 334 . 1 1 179 179 LYS N N 15 122.470 0.02 . 1 . . . . 179 LYS N . 7412 1 335 . 1 1 180 180 SER H H 1 8.348 0.002 . 1 . . . . 180 SER H . 7412 1 336 . 1 1 180 180 SER N N 15 116.656 0.02 . 1 . . . . 180 SER N . 7412 1 337 . 1 1 181 181 LYS H H 1 8.406 0.002 . 1 . . . . 181 LYS H . 7412 1 338 . 1 1 181 181 LYS N N 15 123.115 0.02 . 1 . . . . 181 LYS N . 7412 1 339 . 1 1 184 184 LYS H H 1 8.466 0.002 . 1 . . . . 184 LYS H . 7412 1 340 . 1 1 184 184 LYS N N 15 123.087 0.02 . 1 . . . . 184 LYS N . 7412 1 341 . 1 1 185 185 GLU H H 1 8.670 0.002 . 1 . . . . 185 GLU H . 7412 1 342 . 1 1 185 185 GLU N N 15 121.293 0.02 . 1 . . . . 185 GLU N . 7412 1 343 . 1 1 186 186 GLU H H 1 8.356 0.002 . 1 . . . . 186 GLU H . 7412 1 344 . 1 1 186 186 GLU N N 15 119.589 0.02 . 1 . . . . 186 GLU N . 7412 1 345 . 1 1 187 187 GLU H H 1 8.267 0.002 . 1 . . . . 187 GLU H . 7412 1 346 . 1 1 187 187 GLU N N 15 120.289 0.02 . 1 . . . . 187 GLU N . 7412 1 347 . 1 1 188 188 ASP H H 1 8.350 0.002 . 1 . . . . 188 ASP H . 7412 1 348 . 1 1 188 188 ASP N N 15 121.313 0.02 . 1 . . . . 188 ASP N . 7412 1 349 . 1 1 194 194 GLU H H 1 8.057 0.002 . 1 . . . . 194 GLU H . 7412 1 350 . 1 1 194 194 GLU N N 15 126.793 0.02 . 1 . . . . 194 GLU N . 7412 1 stop_ save_