################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 30675 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 30675 1 2 '2D 1H-15N HSQC' . . . 30675 1 3 '2D 1H-15N HSQC' . . . 30675 1 4 '2D 1H-15N HSQC' . . . 30675 1 5 '2D 1H-15N HSQC' . . . 30675 1 6 '2D 1H-15N HSQC' . . . 30675 1 7 '2D 1H-15N HSQC' . . . 30675 1 8 '2D 1H-15N HSQC' . . . 30675 1 9 '2D 1H-15N HSQC' . . . 30675 1 10 '2D 1H-15N HSQC' . . . 30675 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 2 2 GLN H H 1 8.879 0.001 . 1 . . . . A 2 GLN H . 30675 1 2 . 1 . 1 2 2 GLN N N 15 123.718 0.004 . 1 . . . . A 2 GLN N . 30675 1 3 . 1 . 1 3 3 ILE H H 1 8.303 0.001 . 1 . . . . A 3 ILE H . 30675 1 4 . 1 . 1 3 3 ILE N N 15 115.883 0.004 . 1 . . . . A 3 ILE N . 30675 1 5 . 1 . 1 4 4 PHE H H 1 8.611 0.001 . 1 . . . . A 4 PHE H . 30675 1 6 . 1 . 1 4 4 PHE N N 15 119.266 0.004 . 1 . . . . A 4 PHE N . 30675 1 7 . 1 . 1 5 5 VAL H H 1 9.310 0.001 . 1 . . . . A 5 VAL H . 30675 1 8 . 1 . 1 5 5 VAL N N 15 122.096 0.004 . 1 . . . . A 5 VAL N . 30675 1 9 . 1 . 1 6 6 LYS H H 1 8.930 0.001 . 1 . . . . A 6 LYS H . 30675 1 10 . 1 . 1 6 6 LYS N N 15 128.658 0.004 . 1 . . . . A 6 LYS N . 30675 1 11 . 1 . 1 7 7 THR H H 1 8.731 0.001 . 1 . . . . A 7 THR H . 30675 1 12 . 1 . 1 7 7 THR N N 15 116.124 0.004 . 1 . . . . A 7 THR N . 30675 1 13 . 1 . 1 8 8 LEU H H 1 9.137 0.001 . 1 . . . . A 8 LEU H . 30675 1 14 . 1 . 1 8 8 LEU N N 15 122.221 0.004 . 1 . . . . A 8 LEU N . 30675 1 15 . 1 . 1 9 9 THR H H 1 7.643 0.001 . 1 . . . . A 9 THR H . 30675 1 16 . 1 . 1 9 9 THR N N 15 106.666 0.004 . 1 . . . . A 9 THR N . 30675 1 17 . 1 . 1 10 10 GLY H H 1 7.829 0.001 . 1 . . . . A 10 GLY H . 30675 1 18 . 1 . 1 10 10 GLY N N 15 110.016 0.004 . 1 . . . . A 10 GLY N . 30675 1 19 . 1 . 1 11 11 LYS H H 1 7.279 0.001 . 1 . . . . A 11 LYS H . 30675 1 20 . 1 . 1 11 11 LYS N N 15 122.768 0.004 . 1 . . . . A 11 LYS N . 30675 1 21 . 1 . 1 12 12 THR H H 1 8.642 0.001 . 1 . . . . A 12 THR H . 30675 1 22 . 1 . 1 12 12 THR N N 15 121.445 0.004 . 1 . . . . A 12 THR N . 30675 1 23 . 1 . 1 13 13 ILE H H 1 9.556 0.001 . 1 . . . . A 13 ILE H . 30675 1 24 . 1 . 1 13 13 ILE N N 15 128.684 0.004 . 1 . . . . A 13 ILE N . 30675 1 25 . 1 . 1 14 14 THR H H 1 8.743 0.001 . 1 . . . . A 14 THR H . 30675 1 26 . 1 . 1 14 14 THR N N 15 122.630 0.004 . 1 . . . . A 14 THR N . 30675 1 27 . 1 . 1 15 15 LEU H H 1 8.723 0.001 . 1 . . . . A 15 LEU H . 30675 1 28 . 1 . 1 15 15 LEU N N 15 125.921 0.004 . 1 . . . . A 15 LEU N . 30675 1 29 . 1 . 1 16 16 GLU H H 1 8.127 0.001 . 1 . . . . A 16 GLU H . 30675 1 30 . 1 . 1 16 16 GLU N N 15 123.351 0.004 . 1 . . . . A 16 GLU N . 30675 1 31 . 1 . 1 17 17 VAL H H 1 8.933 0.001 . 1 . . . . A 17 VAL H . 30675 1 32 . 1 . 1 17 17 VAL N N 15 118.352 0.004 . 1 . . . . A 17 VAL N . 30675 1 33 . 1 . 1 18 18 GLU H H 1 8.658 0.001 . 1 . . . . A 18 GLU H . 30675 1 34 . 1 . 1 18 18 GLU N N 15 120.128 0.004 . 1 . . . . A 18 GLU N . 30675 1 35 . 1 . 1 20 20 SER H H 1 7.033 0.001 . 1 . . . . A 20 SER H . 30675 1 36 . 1 . 1 20 20 SER N N 15 104.253 0.004 . 1 . . . . A 20 SER N . 30675 1 37 . 1 . 1 21 21 ASP H H 1 8.056 0.001 . 1 . . . . A 21 ASP H . 30675 1 38 . 1 . 1 21 21 ASP N N 15 124.718 0.004 . 1 . . . . A 21 ASP N . 30675 1 39 . 1 . 1 22 22 THR H H 1 7.887 0.001 . 1 . . . . A 22 THR H . 30675 1 40 . 1 . 1 22 22 THR N N 15 109.812 0.004 . 1 . . . . A 22 THR N . 30675 1 41 . 1 . 1 23 23 ILE H H 1 8.524 0.001 . 1 . . . . A 23 ILE H . 30675 1 42 . 1 . 1 23 23 ILE N N 15 122.072 0.004 . 1 . . . . A 23 ILE N . 30675 1 43 . 1 . 1 24 24 GLU H H 1 10.071 0.001 . 1 . . . . A 24 GLU H . 30675 1 44 . 1 . 1 24 24 GLU N N 15 122.029 0.004 . 1 . . . . A 24 GLU N . 30675 1 45 . 1 . 1 25 25 ASN H H 1 7.929 0.001 . 1 . . . . A 25 ASN H . 30675 1 46 . 1 . 1 25 25 ASN N N 15 122.189 0.004 . 1 . . . . A 25 ASN N . 30675 1 47 . 1 . 1 26 26 VAL H H 1 8.108 0.001 . 1 . . . . A 26 VAL H . 30675 1 48 . 1 . 1 26 26 VAL N N 15 122.983 0.004 . 1 . . . . A 26 VAL N . 30675 1 49 . 1 . 1 27 27 LYS H H 1 8.559 0.001 . 1 . . . . A 27 LYS H . 30675 1 50 . 1 . 1 27 27 LYS N N 15 119.787 0.004 . 1 . . . . A 27 LYS N . 30675 1 51 . 1 . 1 28 28 ALA H H 1 7.986 0.001 . 1 . . . . A 28 ALA H . 30675 1 52 . 1 . 1 28 28 ALA N N 15 124.288 0.004 . 1 . . . . A 28 ALA N . 30675 1 53 . 1 . 1 29 29 LYS H H 1 7.872 0.001 . 1 . . . . A 29 LYS H . 30675 1 54 . 1 . 1 29 29 LYS N N 15 121.080 0.004 . 1 . . . . A 29 LYS N . 30675 1 55 . 1 . 1 30 30 ILE H H 1 8.286 0.001 . 1 . . . . A 30 ILE H . 30675 1 56 . 1 . 1 30 30 ILE N N 15 122.161 0.004 . 1 . . . . A 30 ILE N . 30675 1 57 . 1 . 1 31 31 GLN H H 1 8.556 0.001 . 1 . . . . A 31 GLN H . 30675 1 58 . 1 . 1 31 31 GLN N N 15 124.384 0.004 . 1 . . . . A 31 GLN N . 30675 1 59 . 1 . 1 32 32 ASP H H 1 8.033 0.001 . 1 . . . . A 32 ASP H . 30675 1 60 . 1 . 1 32 32 ASP N N 15 120.602 0.004 . 1 . . . . A 32 ASP N . 30675 1 61 . 1 . 1 33 33 LYS H H 1 7.438 0.001 . 1 . . . . A 33 LYS H . 30675 1 62 . 1 . 1 33 33 LYS N N 15 116.309 0.004 . 1 . . . . A 33 LYS N . 30675 1 63 . 1 . 1 34 34 GLU H H 1 8.725 0.001 . 1 . . . . A 34 GLU H . 30675 1 64 . 1 . 1 34 34 GLU N N 15 115.070 0.004 . 1 . . . . A 34 GLU N . 30675 1 65 . 1 . 1 35 35 GLY H H 1 8.495 0.001 . 1 . . . . A 35 GLY H . 30675 1 66 . 1 . 1 35 35 GLY N N 15 109.631 0.004 . 1 . . . . A 35 GLY N . 30675 1 67 . 1 . 1 36 36 ILE H H 1 6.155 0.001 . 1 . . . . A 36 ILE H . 30675 1 68 . 1 . 1 36 36 ILE N N 15 121.131 0.004 . 1 . . . . A 36 ILE N . 30675 1 69 . 1 . 1 39 39 ASP H H 1 8.548 0.001 . 1 . . . . A 39 ASP H . 30675 1 70 . 1 . 1 39 39 ASP N N 15 114.462 0.004 . 1 . . . . A 39 ASP N . 30675 1 71 . 1 . 1 40 40 GLN H H 1 7.827 0.001 . 1 . . . . A 40 GLN H . 30675 1 72 . 1 . 1 40 40 GLN N N 15 117.713 0.004 . 1 . . . . A 40 GLN N . 30675 1 73 . 1 . 1 41 41 GLN H H 1 7.487 0.001 . 1 . . . . A 41 GLN H . 30675 1 74 . 1 . 1 41 41 GLN N N 15 118.839 0.004 . 1 . . . . A 41 GLN N . 30675 1 75 . 1 . 1 42 42 ARG H H 1 8.499 0.001 . 1 . . . . A 42 ARG H . 30675 1 76 . 1 . 1 42 42 ARG N N 15 123.765 0.004 . 1 . . . . A 42 ARG N . 30675 1 77 . 1 . 1 43 43 LEU H H 1 8.834 0.001 . 1 . . . . A 43 LEU H . 30675 1 78 . 1 . 1 43 43 LEU N N 15 125.166 0.004 . 1 . . . . A 43 LEU N . 30675 1 79 . 1 . 1 44 44 ILE H H 1 9.117 0.001 . 1 . . . . A 44 ILE H . 30675 1 80 . 1 . 1 44 44 ILE N N 15 123.217 0.004 . 1 . . . . A 44 ILE N . 30675 1 81 . 1 . 1 45 45 PHE H H 1 8.859 0.001 . 1 . . . . A 45 PHE H . 30675 1 82 . 1 . 1 45 45 PHE N N 15 126.016 0.004 . 1 . . . . A 45 PHE N . 30675 1 83 . 1 . 1 46 46 ALA H H 1 8.955 0.001 . 1 . . . . A 46 ALA H . 30675 1 84 . 1 . 1 46 46 ALA N N 15 133.658 0.004 . 1 . . . . A 46 ALA N . 30675 1 85 . 1 . 1 47 47 GLY H H 1 8.100 0.001 . 1 . . . . A 47 GLY H . 30675 1 86 . 1 . 1 47 47 GLY N N 15 103.304 0.004 . 1 . . . . A 47 GLY N . 30675 1 87 . 1 . 1 48 48 LYS H H 1 7.965 0.001 . 1 . . . . A 48 LYS H . 30675 1 88 . 1 . 1 48 48 LYS N N 15 122.643 0.004 . 1 . . . . A 48 LYS N . 30675 1 89 . 1 . 1 49 49 GLN H H 1 8.642 0.001 . 1 . . . . A 49 GLN H . 30675 1 90 . 1 . 1 49 49 GLN N N 15 123.773 0.004 . 1 . . . . A 49 GLN N . 30675 1 91 . 1 . 1 50 50 LEU H H 1 8.568 0.001 . 1 . . . . A 50 LEU H . 30675 1 92 . 1 . 1 50 50 LEU N N 15 126.580 0.004 . 1 . . . . A 50 LEU N . 30675 1 93 . 1 . 1 51 51 GLU H H 1 8.390 0.001 . 1 . . . . A 51 GLU H . 30675 1 94 . 1 . 1 51 51 GLU N N 15 123.947 0.004 . 1 . . . . A 51 GLU N . 30675 1 95 . 1 . 1 52 52 ASP H H 1 8.165 0.001 . 1 . . . . A 52 ASP H . 30675 1 96 . 1 . 1 52 52 ASP N N 15 121.215 0.004 . 1 . . . . A 52 ASP N . 30675 1 97 . 1 . 1 54 54 ARG H H 1 7.464 0.001 . 1 . . . . A 54 ARG H . 30675 1 98 . 1 . 1 54 54 ARG N N 15 120.158 0.004 . 1 . . . . A 54 ARG N . 30675 1 99 . 1 . 1 55 55 THR H H 1 8.829 0.001 . 1 . . . . A 55 THR H . 30675 1 100 . 1 . 1 55 55 THR N N 15 109.649 0.004 . 1 . . . . A 55 THR N . 30675 1 101 . 1 . 1 56 56 LEU H H 1 8.159 0.001 . 1 . . . . A 56 LEU H . 30675 1 102 . 1 . 1 56 56 LEU N N 15 118.864 0.004 . 1 . . . . A 56 LEU N . 30675 1 103 . 1 . 1 57 57 SER H H 1 8.485 0.001 . 1 . . . . A 57 SER H . 30675 1 104 . 1 . 1 57 57 SER N N 15 114.314 0.004 . 1 . . . . A 57 SER N . 30675 1 105 . 1 . 1 58 58 ASP H H 1 7.933 0.001 . 1 . . . . A 58 ASP H . 30675 1 106 . 1 . 1 58 58 ASP N N 15 125.299 0.004 . 1 . . . . A 58 ASP N . 30675 1 107 . 1 . 1 59 59 TYR H H 1 7.262 0.001 . 1 . . . . A 59 TYR H . 30675 1 108 . 1 . 1 59 59 TYR N N 15 116.576 0.004 . 1 . . . . A 59 TYR N . 30675 1 109 . 1 . 1 60 60 ASN H H 1 8.151 0.001 . 1 . . . . A 60 ASN H . 30675 1 110 . 1 . 1 60 60 ASN N N 15 116.724 0.004 . 1 . . . . A 60 ASN N . 30675 1 111 . 1 . 1 61 61 ILE H H 1 7.240 0.001 . 1 . . . . A 61 ILE H . 30675 1 112 . 1 . 1 61 61 ILE N N 15 119.747 0.004 . 1 . . . . A 61 ILE N . 30675 1 113 . 1 . 1 62 62 GLN H H 1 7.666 0.001 . 1 . . . . A 62 GLN H . 30675 1 114 . 1 . 1 62 62 GLN N N 15 125.745 0.004 . 1 . . . . A 62 GLN N . 30675 1 115 . 1 . 1 63 63 ARG H H 1 8.480 0.001 . 1 . . . . A 63 ARG H . 30675 1 116 . 1 . 1 63 63 ARG N N 15 121.277 0.004 . 1 . . . . A 63 ARG N . 30675 1 117 . 1 . 1 64 64 GLU H H 1 9.300 0.001 . 1 . . . . A 64 GLU H . 30675 1 118 . 1 . 1 64 64 GLU N N 15 115.820 0.004 . 1 . . . . A 64 GLU N . 30675 1 119 . 1 . 1 65 65 SER H H 1 7.734 0.001 . 1 . . . . A 65 SER H . 30675 1 120 . 1 . 1 65 65 SER N N 15 115.800 0.004 . 1 . . . . A 65 SER N . 30675 1 121 . 1 . 1 66 66 THR H H 1 8.741 0.001 . 1 . . . . A 66 THR H . 30675 1 122 . 1 . 1 66 66 THR N N 15 118.186 0.004 . 1 . . . . A 66 THR N . 30675 1 123 . 1 . 1 67 67 LEU H H 1 9.421 0.001 . 1 . . . . A 67 LEU H . 30675 1 124 . 1 . 1 67 67 LEU N N 15 128.446 0.004 . 1 . . . . A 67 LEU N . 30675 1 125 . 1 . 1 68 68 HIS H H 1 9.235 0.001 . 1 . . . . A 68 HIS H . 30675 1 126 . 1 . 1 68 68 HIS N N 15 120.063 0.004 . 1 . . . . A 68 HIS N . 30675 1 127 . 1 . 1 69 69 LEU H H 1 8.319 0.001 . 1 . . . . A 69 LEU H . 30675 1 128 . 1 . 1 69 69 LEU N N 15 124.834 0.004 . 1 . . . . A 69 LEU N . 30675 1 129 . 1 . 1 70 70 VAL H H 1 9.199 0.001 . 1 . . . . A 70 VAL H . 30675 1 130 . 1 . 1 70 70 VAL N N 15 127.837 0.004 . 1 . . . . A 70 VAL N . 30675 1 131 . 1 . 1 71 71 LEU H H 1 8.141 0.001 . 1 . . . . A 71 LEU H . 30675 1 132 . 1 . 1 71 71 LEU N N 15 124.025 0.004 . 1 . . . . A 71 LEU N . 30675 1 133 . 1 . 1 72 72 ARG H H 1 8.626 0.001 . 1 . . . . A 72 ARG H . 30675 1 134 . 1 . 1 72 72 ARG N N 15 124.546 0.004 . 1 . . . . A 72 ARG N . 30675 1 135 . 1 . 1 73 73 LEU H H 1 8.365 0.001 . 1 . . . . A 73 LEU H . 30675 1 136 . 1 . 1 73 73 LEU N N 15 125.231 0.004 . 1 . . . . A 73 LEU N . 30675 1 137 . 1 . 1 74 74 ARG H H 1 8.499 0.001 . 1 . . . . A 74 ARG H . 30675 1 138 . 1 . 1 74 74 ARG N N 15 123.087 0.004 . 1 . . . . A 74 ARG N . 30675 1 139 . 1 . 1 75 75 GLY H H 1 8.585 0.001 . 1 . . . . A 75 GLY H . 30675 1 140 . 1 . 1 75 75 GLY N N 15 111.804 0.004 . 1 . . . . A 75 GLY N . 30675 1 141 . 1 . 1 76 76 GLY H H 1 8.359 0.001 . 1 . . . . A 76 GLY H . 30675 1 142 . 1 . 1 76 76 GLY N N 15 110.044 0.004 . 1 . . . . A 76 GLY N . 30675 1 143 . 2 . 2 2 2 GLN H H 1 8.917 0.001 . 1 . . . . B 2 GLN H . 30675 1 144 . 2 . 2 2 2 GLN N N 15 123.817 0.004 . 1 . . . . B 2 GLN N . 30675 1 145 . 2 . 2 3 3 ILE H H 1 8.297 0.001 . 1 . . . . B 3 ILE H . 30675 1 146 . 2 . 2 3 3 ILE N N 15 115.937 0.004 . 1 . . . . B 3 ILE N . 30675 1 147 . 2 . 2 4 4 PHE H H 1 8.614 0.001 . 1 . . . . B 4 PHE H . 30675 1 148 . 2 . 2 4 4 PHE N N 15 119.298 0.004 . 1 . . . . B 4 PHE N . 30675 1 149 . 2 . 2 5 5 VAL H H 1 9.306 0.001 . 1 . . . . B 5 VAL H . 30675 1 150 . 2 . 2 5 5 VAL N N 15 122.071 0.004 . 1 . . . . B 5 VAL N . 30675 1 151 . 2 . 2 6 6 LYS H H 1 8.924 0.001 . 1 . . . . B 6 LYS H . 30675 1 152 . 2 . 2 6 6 LYS N N 15 128.689 0.004 . 1 . . . . B 6 LYS N . 30675 1 153 . 2 . 2 7 7 THR H H 1 8.742 0.001 . 1 . . . . B 7 THR H . 30675 1 154 . 2 . 2 7 7 THR N N 15 116.259 0.004 . 1 . . . . B 7 THR N . 30675 1 155 . 2 . 2 8 8 LEU H H 1 9.130 0.001 . 1 . . . . B 8 LEU H . 30675 1 156 . 2 . 2 8 8 LEU N N 15 122.194 0.004 . 1 . . . . B 8 LEU N . 30675 1 157 . 2 . 2 9 9 THR H H 1 7.644 0.001 . 1 . . . . B 9 THR H . 30675 1 158 . 2 . 2 9 9 THR N N 15 106.693 0.004 . 1 . . . . B 9 THR N . 30675 1 159 . 2 . 2 10 10 GLY H H 1 7.829 0.001 . 1 . . . . B 10 GLY H . 30675 1 160 . 2 . 2 10 10 GLY N N 15 110.025 0.004 . 1 . . . . B 10 GLY N . 30675 1 161 . 2 . 2 11 11 LYS H H 1 7.276 0.001 . 1 . . . . B 11 LYS H . 30675 1 162 . 2 . 2 11 11 LYS N N 15 122.748 0.004 . 1 . . . . B 11 LYS N . 30675 1 163 . 2 . 2 12 12 THR H H 1 8.646 0.001 . 1 . . . . B 12 THR H . 30675 1 164 . 2 . 2 12 12 THR N N 15 121.450 0.004 . 1 . . . . B 12 THR N . 30675 1 165 . 2 . 2 13 13 ILE H H 1 9.546 0.001 . 1 . . . . B 13 ILE H . 30675 1 166 . 2 . 2 13 13 ILE N N 15 128.535 0.004 . 1 . . . . B 13 ILE N . 30675 1 167 . 2 . 2 14 14 THR H H 1 8.743 0.001 . 1 . . . . B 14 THR H . 30675 1 168 . 2 . 2 14 14 THR N N 15 122.541 0.004 . 1 . . . . B 14 THR N . 30675 1 169 . 2 . 2 15 15 LEU H H 1 8.734 0.001 . 1 . . . . B 15 LEU H . 30675 1 170 . 2 . 2 15 15 LEU N N 15 125.925 0.004 . 1 . . . . B 15 LEU N . 30675 1 171 . 2 . 2 16 16 GLU H H 1 8.133 0.001 . 1 . . . . B 16 GLU H . 30675 1 172 . 2 . 2 16 16 GLU N N 15 123.333 0.004 . 1 . . . . B 16 GLU N . 30675 1 173 . 2 . 2 17 17 VAL H H 1 8.926 0.001 . 1 . . . . B 17 VAL H . 30675 1 174 . 2 . 2 17 17 VAL N N 15 118.338 0.004 . 1 . . . . B 17 VAL N . 30675 1 175 . 2 . 2 18 18 GLU H H 1 8.663 0.001 . 1 . . . . B 18 GLU H . 30675 1 176 . 2 . 2 18 18 GLU N N 15 120.136 0.004 . 1 . . . . B 18 GLU N . 30675 1 177 . 2 . 2 20 20 SER H H 1 7.029 0.001 . 1 . . . . B 20 SER H . 30675 1 178 . 2 . 2 20 20 SER N N 15 104.238 0.004 . 1 . . . . B 20 SER N . 30675 1 179 . 2 . 2 21 21 ASP H H 1 8.050 0.001 . 1 . . . . B 21 ASP H . 30675 1 180 . 2 . 2 21 21 ASP N N 15 124.711 0.004 . 1 . . . . B 21 ASP N . 30675 1 181 . 2 . 2 22 22 THR H H 1 7.887 0.001 . 1 . . . . B 22 THR H . 30675 1 182 . 2 . 2 22 22 THR N N 15 109.809 0.004 . 1 . . . . B 22 THR N . 30675 1 183 . 2 . 2 23 23 ILE H H 1 8.526 0.001 . 1 . . . . B 23 ILE H . 30675 1 184 . 2 . 2 23 23 ILE N N 15 122.101 0.004 . 1 . . . . B 23 ILE N . 30675 1 185 . 2 . 2 24 24 GLU H H 1 10.046 0.001 . 1 . . . . B 24 GLU H . 30675 1 186 . 2 . 2 24 24 GLU N N 15 122.057 0.004 . 1 . . . . B 24 GLU N . 30675 1 187 . 2 . 2 25 25 ASN H H 1 7.930 0.001 . 1 . . . . B 25 ASN H . 30675 1 188 . 2 . 2 25 25 ASN N N 15 122.162 0.004 . 1 . . . . B 25 ASN N . 30675 1 189 . 2 . 2 26 26 VAL H H 1 8.109 0.001 . 1 . . . . B 26 VAL H . 30675 1 190 . 2 . 2 26 26 VAL N N 15 122.985 0.004 . 1 . . . . B 26 VAL N . 30675 1 191 . 2 . 2 27 27 LYS H H 1 8.562 0.001 . 1 . . . . B 27 LYS H . 30675 1 192 . 2 . 2 27 27 LYS N N 15 119.794 0.004 . 1 . . . . B 27 LYS N . 30675 1 193 . 2 . 2 28 28 ALA H H 1 7.986 0.001 . 1 . . . . B 28 ALA H . 30675 1 194 . 2 . 2 28 28 ALA N N 15 124.278 0.004 . 1 . . . . B 28 ALA N . 30675 1 195 . 2 . 2 29 29 LYS H H 1 7.865 0.001 . 1 . . . . B 29 LYS H . 30675 1 196 . 2 . 2 29 29 LYS N N 15 121.049 0.004 . 1 . . . . B 29 LYS N . 30675 1 197 . 2 . 2 30 30 ILE H H 1 8.285 0.001 . 1 . . . . B 30 ILE H . 30675 1 198 . 2 . 2 30 30 ILE N N 15 122.165 0.004 . 1 . . . . B 30 ILE N . 30675 1 199 . 2 . 2 31 31 GLN H H 1 8.559 0.001 . 1 . . . . B 31 GLN H . 30675 1 200 . 2 . 2 31 31 GLN N N 15 124.396 0.004 . 1 . . . . B 31 GLN N . 30675 1 201 . 2 . 2 32 32 ASP H H 1 8.030 0.001 . 1 . . . . B 32 ASP H . 30675 1 202 . 2 . 2 32 32 ASP N N 15 120.584 0.004 . 1 . . . . B 32 ASP N . 30675 1 203 . 2 . 2 33 33 LYS H H 1 7.437 0.001 . 1 . . . . B 33 LYS H . 30675 1 204 . 2 . 2 33 33 LYS N N 15 116.296 0.004 . 1 . . . . B 33 LYS N . 30675 1 205 . 2 . 2 34 34 GLU H H 1 8.729 0.001 . 1 . . . . B 34 GLU H . 30675 1 206 . 2 . 2 34 34 GLU N N 15 115.107 0.004 . 1 . . . . B 34 GLU N . 30675 1 207 . 2 . 2 35 35 GLY H H 1 8.505 0.001 . 1 . . . . B 35 GLY H . 30675 1 208 . 2 . 2 35 35 GLY N N 15 109.699 0.004 . 1 . . . . B 35 GLY N . 30675 1 209 . 2 . 2 36 36 ILE H H 1 6.153 0.001 . 1 . . . . B 36 ILE H . 30675 1 210 . 2 . 2 36 36 ILE N N 15 121.151 0.004 . 1 . . . . B 36 ILE N . 30675 1 211 . 2 . 2 39 39 ASP H H 1 8.535 0.001 . 1 . . . . B 39 ASP H . 30675 1 212 . 2 . 2 39 39 ASP N N 15 114.416 0.004 . 1 . . . . B 39 ASP N . 30675 1 213 . 2 . 2 40 40 GLN H H 1 7.814 0.001 . 1 . . . . B 40 GLN H . 30675 1 214 . 2 . 2 40 40 GLN N N 15 117.668 0.004 . 1 . . . . B 40 GLN N . 30675 1 215 . 2 . 2 41 41 GLN H H 1 7.479 0.001 . 1 . . . . B 41 GLN H . 30675 1 216 . 2 . 2 41 41 GLN N N 15 118.814 0.004 . 1 . . . . B 41 GLN N . 30675 1 217 . 2 . 2 42 42 ARG H H 1 8.515 0.001 . 1 . . . . B 42 ARG H . 30675 1 218 . 2 . 2 42 42 ARG N N 15 123.841 0.004 . 1 . . . . B 42 ARG N . 30675 1 219 . 2 . 2 43 43 LEU H H 1 8.832 0.001 . 1 . . . . B 43 LEU H . 30675 1 220 . 2 . 2 43 43 LEU N N 15 125.195 0.004 . 1 . . . . B 43 LEU N . 30675 1 221 . 2 . 2 44 44 ILE H H 1 9.112 0.001 . 1 . . . . B 44 ILE H . 30675 1 222 . 2 . 2 44 44 ILE N N 15 123.174 0.004 . 1 . . . . B 44 ILE N . 30675 1 223 . 2 . 2 45 45 PHE H H 1 8.851 0.001 . 1 . . . . B 45 PHE H . 30675 1 224 . 2 . 2 45 45 PHE N N 15 125.987 0.004 . 1 . . . . B 45 PHE N . 30675 1 225 . 2 . 2 46 46 ALA H H 1 8.943 0.001 . 1 . . . . B 46 ALA H . 30675 1 226 . 2 . 2 46 46 ALA N N 15 133.629 0.004 . 1 . . . . B 46 ALA N . 30675 1 227 . 2 . 2 47 47 GLY H H 1 8.111 0.001 . 1 . . . . B 47 GLY H . 30675 1 228 . 2 . 2 47 47 GLY N N 15 103.255 0.004 . 1 . . . . B 47 GLY N . 30675 1 229 . 2 . 2 48 48 LYS H H 1 7.964 0.001 . 1 . . . . B 48 LYS H . 30675 1 230 . 2 . 2 48 48 LYS N N 15 122.684 0.004 . 1 . . . . B 48 LYS N . 30675 1 231 . 2 . 2 49 49 GLN H H 1 8.644 0.001 . 1 . . . . B 49 GLN H . 30675 1 232 . 2 . 2 49 49 GLN N N 15 123.784 0.004 . 1 . . . . B 49 GLN N . 30675 1 233 . 2 . 2 50 50 LEU H H 1 8.573 0.001 . 1 . . . . B 50 LEU H . 30675 1 234 . 2 . 2 50 50 LEU N N 15 126.546 0.004 . 1 . . . . B 50 LEU N . 30675 1 235 . 2 . 2 51 51 GLU H H 1 8.396 0.001 . 1 . . . . B 51 GLU H . 30675 1 236 . 2 . 2 51 51 GLU N N 15 123.956 0.004 . 1 . . . . B 51 GLU N . 30675 1 237 . 2 . 2 52 52 ASP H H 1 8.171 0.001 . 1 . . . . B 52 ASP H . 30675 1 238 . 2 . 2 52 52 ASP N N 15 121.236 0.004 . 1 . . . . B 52 ASP N . 30675 1 239 . 2 . 2 54 54 ARG H H 1 7.470 0.001 . 1 . . . . B 54 ARG H . 30675 1 240 . 2 . 2 54 54 ARG N N 15 120.177 0.004 . 1 . . . . B 54 ARG N . 30675 1 241 . 2 . 2 55 55 THR H H 1 8.829 0.001 . 1 . . . . B 55 THR H . 30675 1 242 . 2 . 2 55 55 THR N N 15 109.631 0.004 . 1 . . . . B 55 THR N . 30675 1 243 . 2 . 2 56 56 LEU H H 1 8.152 0.001 . 1 . . . . B 56 LEU H . 30675 1 244 . 2 . 2 56 56 LEU N N 15 118.866 0.004 . 1 . . . . B 56 LEU N . 30675 1 245 . 2 . 2 57 57 SER H H 1 8.473 0.001 . 1 . . . . B 57 SER H . 30675 1 246 . 2 . 2 57 57 SER N N 15 114.277 0.004 . 1 . . . . B 57 SER N . 30675 1 247 . 2 . 2 58 58 ASP H H 1 7.938 0.001 . 1 . . . . B 58 ASP H . 30675 1 248 . 2 . 2 58 58 ASP N N 15 125.329 0.004 . 1 . . . . B 58 ASP N . 30675 1 249 . 2 . 2 59 59 TYR H H 1 7.260 0.001 . 1 . . . . B 59 TYR H . 30675 1 250 . 2 . 2 59 59 TYR N N 15 116.568 0.004 . 1 . . . . B 59 TYR N . 30675 1 251 . 2 . 2 60 60 ASN H H 1 8.155 0.001 . 1 . . . . B 60 ASN H . 30675 1 252 . 2 . 2 60 60 ASN N N 15 116.707 0.004 . 1 . . . . B 60 ASN N . 30675 1 253 . 2 . 2 61 61 ILE H H 1 7.237 0.001 . 1 . . . . B 61 ILE H . 30675 1 254 . 2 . 2 61 61 ILE N N 15 119.696 0.004 . 1 . . . . B 61 ILE N . 30675 1 255 . 2 . 2 62 62 GLN H H 1 7.639 0.001 . 1 . . . . B 62 GLN H . 30675 1 256 . 2 . 2 62 62 GLN N N 15 125.843 0.004 . 1 . . . . B 62 GLN N . 30675 1 257 . 2 . 2 63 63 LYS H H 1 8.418 0.001 . 1 . . . . B 63 LYS H . 30675 1 258 . 2 . 2 63 63 LYS N N 15 121.717 0.004 . 1 . . . . B 63 LYS N . 30675 1 259 . 2 . 2 64 64 GLU H H 1 9.248 0.001 . 1 . . . . B 64 GLU H . 30675 1 260 . 2 . 2 64 64 GLU N N 15 115.043 0.004 . 1 . . . . B 64 GLU N . 30675 1 261 . 2 . 2 65 65 SER H H 1 7.693 0.001 . 1 . . . . B 65 SER H . 30675 1 262 . 2 . 2 65 65 SER N N 15 115.715 0.004 . 1 . . . . B 65 SER N . 30675 1 263 . 2 . 2 66 66 THR H H 1 8.743 0.001 . 1 . . . . B 66 THR H . 30675 1 264 . 2 . 2 66 66 THR N N 15 118.217 0.004 . 1 . . . . B 66 THR N . 30675 1 265 . 2 . 2 67 67 LEU H H 1 9.419 0.001 . 1 . . . . B 67 LEU H . 30675 1 266 . 2 . 2 67 67 LEU N N 15 128.431 0.004 . 1 . . . . B 67 LEU N . 30675 1 267 . 2 . 2 68 68 HIS H H 1 9.235 0.001 . 1 . . . . B 68 HIS H . 30675 1 268 . 2 . 2 68 68 HIS N N 15 120.040 0.004 . 1 . . . . B 68 HIS N . 30675 1 269 . 2 . 2 69 69 LEU H H 1 8.310 0.001 . 1 . . . . B 69 LEU H . 30675 1 270 . 2 . 2 69 69 LEU N N 15 124.856 0.004 . 1 . . . . B 69 LEU N . 30675 1 271 . 2 . 2 70 70 VAL H H 1 9.194 0.001 . 1 . . . . B 70 VAL H . 30675 1 272 . 2 . 2 70 70 VAL N N 15 127.702 0.004 . 1 . . . . B 70 VAL N . 30675 1 273 . 2 . 2 71 71 LEU H H 1 8.119 0.001 . 1 . . . . B 71 LEU H . 30675 1 274 . 2 . 2 71 71 LEU N N 15 124.005 0.004 . 1 . . . . B 71 LEU N . 30675 1 275 . 2 . 2 72 72 ARG H H 1 8.603 0.001 . 1 . . . . B 72 ARG H . 30675 1 276 . 2 . 2 72 72 ARG N N 15 124.500 0.004 . 1 . . . . B 72 ARG N . 30675 1 277 . 2 . 2 73 73 LEU H H 1 8.408 0.001 . 1 . . . . B 73 LEU H . 30675 1 278 . 2 . 2 73 73 LEU N N 15 125.390 0.004 . 1 . . . . B 73 LEU N . 30675 1 279 . 2 . 2 74 74 ARG H H 1 8.445 0.001 . 1 . . . . B 74 ARG H . 30675 1 280 . 2 . 2 74 74 ARG N N 15 122.573 0.004 . 1 . . . . B 74 ARG N . 30675 1 281 . 2 . 2 75 75 GLY H H 1 8.519 0.001 . 1 . . . . B 75 GLY H . 30675 1 282 . 2 . 2 75 75 GLY N N 15 111.506 0.004 . 1 . . . . B 75 GLY N . 30675 1 283 . 2 . 2 76 76 GLY H H 1 8.218 0.001 . 1 . . . . B 76 GLY H . 30675 1 284 . 2 . 2 76 76 GLY N N 15 110.090 0.004 . 1 . . . . B 76 GLY N . 30675 1 285 . 2 . 2 77 77 ASP H H 1 7.967 0.001 . 1 . . . . B 77 ASP H . 30675 1 286 . 2 . 2 77 77 ASP N N 15 126.421 0.004 . 1 . . . . B 77 ASP N . 30675 1 287 . 3 . 3 3 3 VAL H H 1 8.12385 0.001 . 1 . . . . C 3 VAL HT1 . 30675 1 288 . 3 . 3 3 3 VAL N N 15 120.958 0.004 . 1 . . . . C 3 VAL N . 30675 1 289 . 3 . 3 4 4 SER H H 1 8.40060 0.001 . 1 . . . . C 4 SER H . 30675 1 290 . 3 . 3 4 4 SER N N 15 121.850 0.004 . 1 . . . . C 4 SER N . 30675 1 291 . 3 . 3 5 5 GLU H H 1 9.05138 0.001 . 1 . . . . C 5 GLU H . 30675 1 292 . 3 . 3 5 5 GLU N N 15 124.164 0.004 . 1 . . . . C 5 GLU N . 30675 1 293 . 3 . 3 6 6 SER H H 1 8.35944 0.001 . 1 . . . . C 6 SER H . 30675 1 294 . 3 . 3 6 6 SER N N 15 113.922 0.004 . 1 . . . . C 6 SER N . 30675 1 295 . 3 . 3 7 7 GLN H H 1 7.73436 0.001 . 1 . . . . C 7 GLN H . 30675 1 296 . 3 . 3 7 7 GLN N N 15 123.271 0.004 . 1 . . . . C 7 GLN N . 30675 1 297 . 3 . 3 8 8 LEU H H 1 8.13504 0.001 . 1 . . . . C 8 LEU H . 30675 1 298 . 3 . 3 8 8 LEU N N 15 122.133 0.004 . 1 . . . . C 8 LEU N . 30675 1 299 . 3 . 3 9 9 LYS H H 1 8.26554 0.001 . 1 . . . . C 9 LYS H . 30675 1 300 . 3 . 3 9 9 LYS N N 15 117.250 0.004 . 1 . . . . C 9 LYS N . 30675 1 301 . 3 . 3 10 10 LYS H H 1 7.15348 0.001 . 1 . . . . C 10 LYS H . 30675 1 302 . 3 . 3 10 10 LYS N N 15 117.586 0.004 . 1 . . . . C 10 LYS N . 30675 1 303 . 3 . 3 11 11 MET H H 1 7.88055 0.001 . 1 . . . . C 11 MET H . 30675 1 304 . 3 . 3 11 11 MET N N 15 120.524 0.004 . 1 . . . . C 11 MET N . 30675 1 305 . 3 . 3 12 12 VAL H H 1 7.27226 0.001 . 1 . . . . C 12 VAL H . 30675 1 306 . 3 . 3 12 12 VAL N N 15 107.640 0.004 . 1 . . . . C 12 VAL N . 30675 1 307 . 3 . 3 13 13 SER H H 1 7.08292 0.001 . 1 . . . . C 13 SER H . 30675 1 308 . 3 . 3 13 13 SER N N 15 116.939 0.004 . 1 . . . . C 13 SER N . 30675 1 309 . 3 . 3 14 14 LYS H H 1 8.72571 0.001 . 1 . . . . C 14 LYS H . 30675 1 310 . 3 . 3 14 14 LYS N N 15 119.042 0.004 . 1 . . . . C 14 LYS N . 30675 1 311 . 3 . 3 15 15 TYR H H 1 8.37107 0.001 . 1 . . . . C 15 TYR H . 30675 1 312 . 3 . 3 15 15 TYR N N 15 125.915 0.004 . 1 . . . . C 15 TYR N . 30675 1 313 . 3 . 3 16 16 LYS H H 1 7.91724 0.001 . 1 . . . . C 16 LYS H . 30675 1 314 . 3 . 3 16 16 LYS N N 15 122.583 0.004 . 1 . . . . C 16 LYS N . 30675 1 315 . 3 . 3 17 17 TYR H H 1 10.03816 0.001 . 1 . . . . C 17 TYR H . 30675 1 316 . 3 . 3 17 17 TYR N N 15 123.315 0.004 . 1 . . . . C 17 TYR N . 30675 1 317 . 3 . 3 18 18 ARG H H 1 7.62162 0.001 . 1 . . . . C 18 ARG H . 30675 1 318 . 3 . 3 18 18 ARG N N 15 123.608 0.004 . 1 . . . . C 18 ARG N . 30675 1 319 . 3 . 3 19 19 ASP H H 1 8.65572 0.001 . 1 . . . . C 19 ASP H . 30675 1 320 . 3 . 3 19 19 ASP N N 15 119.246 0.004 . 1 . . . . C 19 ASP N . 30675 1 321 . 3 . 3 20 20 LEU H H 1 8.21578 0.001 . 1 . . . . C 20 LEU H . 30675 1 322 . 3 . 3 20 20 LEU N N 15 121.477 0.004 . 1 . . . . C 20 LEU N . 30675 1 323 . 3 . 3 21 21 THR H H 1 8.13228 0.001 . 1 . . . . C 21 THR H . 30675 1 324 . 3 . 3 21 21 THR N N 15 117.278 0.004 . 1 . . . . C 21 THR N . 30675 1 325 . 3 . 3 22 22 VAL H H 1 8.76323 0.001 . 1 . . . . C 22 VAL H . 30675 1 326 . 3 . 3 22 22 VAL N N 15 124.318 0.004 . 1 . . . . C 22 VAL N . 30675 1 327 . 3 . 3 23 23 ARG H H 1 7.96242 0.001 . 1 . . . . C 23 ARG H . 30675 1 328 . 3 . 3 23 23 ARG N N 15 119.248 0.004 . 1 . . . . C 23 ARG N . 30675 1 329 . 3 . 3 24 24 GLU H H 1 7.91238 0.001 . 1 . . . . C 24 GLU H . 30675 1 330 . 3 . 3 24 24 GLU N N 15 116.936 0.004 . 1 . . . . C 24 GLU N . 30675 1 331 . 3 . 3 25 25 THR H H 1 8.01093 0.001 . 1 . . . . C 25 THR H . 30675 1 332 . 3 . 3 25 25 THR N N 15 116.700 0.004 . 1 . . . . C 25 THR N . 30675 1 333 . 3 . 3 26 26 VAL H H 1 8.72254 0.001 . 1 . . . . C 26 VAL H . 30675 1 334 . 3 . 3 26 26 VAL N N 15 122.117 0.004 . 1 . . . . C 26 VAL N . 30675 1 335 . 3 . 3 27 27 ASN H H 1 7.83051 0.001 . 1 . . . . C 27 ASN H . 30675 1 336 . 3 . 3 27 27 ASN N N 15 120.334 0.004 . 1 . . . . C 27 ASN N . 30675 1 337 . 3 . 3 28 28 VAL H H 1 7.89898 0.001 . 1 . . . . C 28 VAL H . 30675 1 338 . 3 . 3 28 28 VAL N N 15 119.108 0.004 . 1 . . . . C 28 VAL N . 30675 1 339 . 3 . 3 29 29 ILE H H 1 8.41798 0.001 . 1 . . . . C 29 ILE H . 30675 1 340 . 3 . 3 29 29 ILE N N 15 115.203 0.004 . 1 . . . . C 29 ILE N . 30675 1 341 . 3 . 3 30 30 THR H H 1 7.61656 0.001 . 1 . . . . C 30 THR H . 30675 1 342 . 3 . 3 30 30 THR N N 15 116.115 0.004 . 1 . . . . C 30 THR N . 30675 1 343 . 3 . 3 31 31 LEU H H 1 6.87433 0.001 . 1 . . . . C 31 LEU H . 30675 1 344 . 3 . 3 31 31 LEU N N 15 122.445 0.004 . 1 . . . . C 31 LEU N . 30675 1 345 . 3 . 3 32 32 TYR H H 1 8.59934 0.001 . 1 . . . . C 32 TYR H . 30675 1 346 . 3 . 3 32 32 TYR N N 15 122.776 0.004 . 1 . . . . C 32 TYR N . 30675 1 347 . 3 . 3 33 33 LYS H H 1 7.51173 0.001 . 1 . . . . C 33 LYS H . 30675 1 348 . 3 . 3 33 33 LYS N N 15 117.208 0.004 . 1 . . . . C 33 LYS N . 30675 1 349 . 3 . 3 34 34 ASP H H 1 8.77490 0.001 . 1 . . . . C 34 ASP H . 30675 1 350 . 3 . 3 34 34 ASP N N 15 119.157 0.004 . 1 . . . . C 34 ASP N . 30675 1 351 . 3 . 3 35 35 LEU H H 1 7.61947 0.001 . 1 . . . . C 35 LEU H . 30675 1 352 . 3 . 3 35 35 LEU N N 15 120.742 0.004 . 1 . . . . C 35 LEU N . 30675 1 353 . 3 . 3 36 36 LYS H H 1 8.40324 0.001 . 1 . . . . C 36 LYS H . 30675 1 354 . 3 . 3 36 36 LYS N N 15 121.016 0.004 . 1 . . . . C 36 LYS N . 30675 1 355 . 3 . 3 38 38 VAL H H 1 9.06999 0.001 . 1 . . . . C 38 VAL H . 30675 1 356 . 3 . 3 38 38 VAL N N 15 124.808 0.004 . 1 . . . . C 38 VAL N . 30675 1 357 . 3 . 3 39 39 LEU H H 1 8.14475 0.001 . 1 . . . . C 39 LEU H . 30675 1 358 . 3 . 3 39 39 LEU N N 15 124.901 0.004 . 1 . . . . C 39 LEU N . 30675 1 359 . 3 . 3 40 40 ASP H H 1 9.22019 0.001 . 1 . . . . C 40 ASP H . 30675 1 360 . 3 . 3 40 40 ASP N N 15 125.846 0.004 . 1 . . . . C 40 ASP N . 30675 1 361 . 3 . 3 41 41 SER H H 1 9.08738 0.001 . 1 . . . . C 41 SER H . 30675 1 362 . 3 . 3 41 41 SER N N 15 117.149 0.004 . 1 . . . . C 41 SER N . 30675 1 363 . 3 . 3 42 42 TYR H H 1 8.81475 0.001 . 1 . . . . C 42 TYR H . 30675 1 364 . 3 . 3 42 42 TYR N N 15 130.586 0.004 . 1 . . . . C 42 TYR N . 30675 1 365 . 3 . 3 44 44 PHE H H 1 8.74845 0.001 . 1 . . . . C 44 PHE H . 30675 1 366 . 3 . 3 44 44 PHE N N 15 126.347 0.004 . 1 . . . . C 44 PHE N . 30675 1 367 . 3 . 3 45 45 ASN H H 1 9.01597 0.001 . 1 . . . . C 45 ASN H . 30675 1 368 . 3 . 3 45 45 ASN N N 15 120.002 0.004 . 1 . . . . C 45 ASN N . 30675 1 369 . 3 . 3 46 46 ASP H H 1 7.73987 0.001 . 1 . . . . C 46 ASP H . 30675 1 370 . 3 . 3 46 46 ASP N N 15 116.325 0.004 . 1 . . . . C 46 ASP N . 30675 1 371 . 3 . 3 47 47 GLY H H 1 8.22594 0.001 . 1 . . . . C 47 GLY H . 30675 1 372 . 3 . 3 47 47 GLY N N 15 109.798 0.004 . 1 . . . . C 47 GLY N . 30675 1 373 . 3 . 3 48 48 SER H H 1 8.23846 0.001 . 1 . . . . C 48 SER H . 30675 1 374 . 3 . 3 48 48 SER N N 15 119.290 0.004 . 1 . . . . C 48 SER N . 30675 1 375 . 3 . 3 49 49 SER H H 1 8.44639 0.001 . 1 . . . . C 49 SER H . 30675 1 376 . 3 . 3 49 49 SER N N 15 113.720 0.004 . 1 . . . . C 49 SER N . 30675 1 377 . 3 . 3 50 50 ARG H H 1 8.64779 0.001 . 1 . . . . C 50 ARG H . 30675 1 378 . 3 . 3 50 50 ARG N N 15 121.930 0.004 . 1 . . . . C 50 ARG N . 30675 1 379 . 3 . 3 51 51 GLU H H 1 8.56125 0.001 . 1 . . . . C 51 GLU H . 30675 1 380 . 3 . 3 51 51 GLU N N 15 124.736 0.004 . 1 . . . . C 51 GLU N . 30675 1 381 . 3 . 3 52 52 LEU H H 1 9.22402 0.001 . 1 . . . . C 52 LEU H . 30675 1 382 . 3 . 3 52 52 LEU N N 15 129.334 0.004 . 1 . . . . C 52 LEU N . 30675 1 383 . 3 . 3 53 53 MET H H 1 9.06830 0.001 . 1 . . . . C 53 MET H . 30675 1 384 . 3 . 3 53 53 MET N N 15 121.479 0.004 . 1 . . . . C 53 MET N . 30675 1 385 . 3 . 3 54 54 ASN H H 1 9.17947 0.001 . 1 . . . . C 54 ASN H . 30675 1 386 . 3 . 3 54 54 ASN N N 15 122.803 0.004 . 1 . . . . C 54 ASN N . 30675 1 387 . 3 . 3 55 55 LEU H H 1 8.36037 0.001 . 1 . . . . C 55 LEU H . 30675 1 388 . 3 . 3 55 55 LEU N N 15 117.656 0.004 . 1 . . . . C 55 LEU N . 30675 1 389 . 3 . 3 56 56 THR H H 1 8.67752 0.001 . 1 . . . . C 56 THR H . 30675 1 390 . 3 . 3 56 56 THR N N 15 118.517 0.004 . 1 . . . . C 56 THR N . 30675 1 391 . 3 . 3 57 57 GLY H H 1 8.07781 0.001 . 1 . . . . C 57 GLY H . 30675 1 392 . 3 . 3 57 57 GLY N N 15 116.434 0.004 . 1 . . . . C 57 GLY N . 30675 1 393 . 3 . 3 58 58 THR H H 1 7.48078 0.001 . 1 . . . . C 58 THR H . 30675 1 394 . 3 . 3 58 58 THR N N 15 112.272 0.004 . 1 . . . . C 58 THR N . 30675 1 395 . 3 . 3 59 59 ILE H H 1 7.90567 0.001 . 1 . . . . C 59 ILE H . 30675 1 396 . 3 . 3 59 59 ILE N N 15 111.066 0.004 . 1 . . . . C 59 ILE N . 30675 1 397 . 3 . 3 61 61 VAL H H 1 9.19214 0.001 . 1 . . . . C 61 VAL H . 30675 1 398 . 3 . 3 61 61 VAL N N 15 125.327 0.004 . 1 . . . . C 61 VAL N . 30675 1 399 . 3 . 3 63 63 TYR H H 1 9.04154 0.001 . 1 . . . . C 63 TYR H . 30675 1 400 . 3 . 3 63 63 TYR N N 15 124.714 0.004 . 1 . . . . C 63 TYR N . 30675 1 401 . 3 . 3 64 64 ARG H H 1 9.23899 0.001 . 1 . . . . C 64 ARG H . 30675 1 402 . 3 . 3 64 64 ARG N N 15 127.315 0.004 . 1 . . . . C 64 ARG N . 30675 1 403 . 3 . 3 65 65 GLY H H 1 8.51289 0.001 . 1 . . . . C 65 GLY H . 30675 1 404 . 3 . 3 65 65 GLY N N 15 105.199 0.004 . 1 . . . . C 65 GLY N . 30675 1 405 . 3 . 3 66 66 ASN H H 1 7.89062 0.001 . 1 . . . . C 66 ASN H . 30675 1 406 . 3 . 3 66 66 ASN N N 15 119.771 0.004 . 1 . . . . C 66 ASN N . 30675 1 407 . 3 . 3 67 67 THR H H 1 8.72571 0.001 . 1 . . . . C 67 THR H . 30675 1 408 . 3 . 3 67 67 THR N N 15 119.042 0.004 . 1 . . . . C 67 THR N . 30675 1 409 . 3 . 3 68 68 TYR H H 1 9.16695 0.001 . 1 . . . . C 68 TYR H . 30675 1 410 . 3 . 3 68 68 TYR N N 15 129.760 0.004 . 1 . . . . C 68 TYR N . 30675 1 411 . 3 . 3 69 69 ASN H H 1 8.79033 0.001 . 1 . . . . C 69 ASN H . 30675 1 412 . 3 . 3 69 69 ASN N N 15 123.867 0.004 . 1 . . . . C 69 ASN N . 30675 1 413 . 3 . 3 70 70 ILE H H 1 8.96917 0.001 . 1 . . . . C 70 ILE H . 30675 1 414 . 3 . 3 70 70 ILE N N 15 128.228 0.004 . 1 . . . . C 70 ILE N . 30675 1 415 . 3 . 3 72 72 ILE H H 1 8.89191 0.001 . 1 . . . . C 72 ILE H . 30675 1 416 . 3 . 3 72 72 ILE N N 15 118.377 0.004 . 1 . . . . C 72 ILE N . 30675 1 417 . 3 . 3 73 73 CYS H H 1 8.92158 0.001 . 1 . . . . C 73 CYS H . 30675 1 418 . 3 . 3 73 73 CYS N N 15 121.094 0.004 . 1 . . . . C 73 CYS N . 30675 1 419 . 3 . 3 74 74 LEU H H 1 9.06507 0.001 . 1 . . . . C 74 LEU H . 30675 1 420 . 3 . 3 74 74 LEU N N 15 128.485 0.004 . 1 . . . . C 74 LEU N . 30675 1 421 . 3 . 3 75 75 TRP H H 1 9.65935 0.001 . 1 . . . . C 75 TRP H . 30675 1 422 . 3 . 3 75 75 TRP N N 15 125.069 0.004 . 1 . . . . C 75 TRP N . 30675 1 423 . 3 . 3 76 76 LEU H H 1 8.44295 0.001 . 1 . . . . C 76 LEU H . 30675 1 424 . 3 . 3 76 76 LEU N N 15 123.274 0.004 . 1 . . . . C 76 LEU N . 30675 1 425 . 3 . 3 77 77 LEU H H 1 8.72570 0.001 . 1 . . . . C 77 LEU H . 30675 1 426 . 3 . 3 77 77 LEU N N 15 124.850 0.004 . 1 . . . . C 77 LEU N . 30675 1 427 . 3 . 3 78 78 ASP H H 1 8.39859 0.001 . 1 . . . . C 78 ASP H . 30675 1 428 . 3 . 3 78 78 ASP N N 15 116.426 0.004 . 1 . . . . C 78 ASP N . 30675 1 429 . 3 . 3 79 79 THR H H 1 6.94973 0.001 . 1 . . . . C 79 THR H . 30675 1 430 . 3 . 3 79 79 THR N N 15 108.218 0.004 . 1 . . . . C 79 THR N . 30675 1 431 . 3 . 3 80 80 TYR H H 1 8.44972 0.001 . 1 . . . . C 80 TYR H . 30675 1 432 . 3 . 3 80 80 TYR N N 15 128.074 0.004 . 1 . . . . C 80 TYR N . 30675 1 433 . 3 . 3 82 82 TYR H H 1 8.76547 0.001 . 1 . . . . C 82 TYR H . 30675 1 434 . 3 . 3 82 82 TYR N N 15 125.419 0.004 . 1 . . . . C 82 TYR N . 30675 1 435 . 3 . 3 83 83 ASN H H 1 6.74696 0.001 . 1 . . . . C 83 ASN H . 30675 1 436 . 3 . 3 83 83 ASN N N 15 115.590 0.004 . 1 . . . . C 83 ASN N . 30675 1 437 . 3 . 3 86 86 ILE H H 1 8.49873 0.001 . 1 . . . . C 86 ILE H . 30675 1 438 . 3 . 3 86 86 ILE N N 15 122.355 0.004 . 1 . . . . C 86 ILE N . 30675 1 439 . 3 . 3 87 87 CYS H H 1 8.84029 0.001 . 1 . . . . C 87 CYS H . 30675 1 440 . 3 . 3 87 87 CYS N N 15 126.176 0.004 . 1 . . . . C 87 CYS N . 30675 1 441 . 3 . 3 88 88 PHE H H 1 9.19666 0.001 . 1 . . . . C 88 PHE H . 30675 1 442 . 3 . 3 88 88 PHE N N 15 121.584 0.004 . 1 . . . . C 88 PHE N . 30675 1 443 . 3 . 3 89 89 VAL H H 1 9.61181 0.001 . 1 . . . . C 89 VAL H . 30675 1 444 . 3 . 3 89 89 VAL N N 15 121.094 0.004 . 1 . . . . C 89 VAL N . 30675 1 445 . 3 . 3 90 90 LYS H H 1 7.88841 0.001 . 1 . . . . C 90 LYS H . 30675 1 446 . 3 . 3 90 90 LYS N N 15 128.281 0.004 . 1 . . . . C 90 LYS N . 30675 1 447 . 3 . 3 92 92 THR H H 1 7.69921 0.001 . 1 . . . . C 92 THR H . 30675 1 448 . 3 . 3 92 92 THR N N 15 112.834 0.004 . 1 . . . . C 92 THR N . 30675 1 449 . 3 . 3 93 93 SER H H 1 8.68482 0.001 . 1 . . . . C 93 SER H . 30675 1 450 . 3 . 3 93 93 SER N N 15 114.288 0.004 . 1 . . . . C 93 SER N . 30675 1 451 . 3 . 3 94 94 SER H H 1 7.89298 0.001 . 1 . . . . C 94 SER H . 30675 1 452 . 3 . 3 94 94 SER N N 15 115.139 0.004 . 1 . . . . C 94 SER N . 30675 1 453 . 3 . 3 95 95 MET H H 1 7.72709 0.001 . 1 . . . . C 95 MET H . 30675 1 454 . 3 . 3 95 95 MET N N 15 122.422 0.004 . 1 . . . . C 95 MET N . 30675 1 455 . 3 . 3 96 96 THR H H 1 8.39866 0.001 . 1 . . . . C 96 THR H . 30675 1 456 . 3 . 3 96 96 THR N N 15 115.746 0.004 . 1 . . . . C 96 THR N . 30675 1 457 . 3 . 3 97 97 ILE H H 1 8.44941 0.001 . 1 . . . . C 97 ILE H . 30675 1 458 . 3 . 3 97 97 ILE N N 15 124.582 0.004 . 1 . . . . C 97 ILE N . 30675 1 459 . 3 . 3 98 98 LYS H H 1 8.19855 0.001 . 1 . . . . C 98 LYS H . 30675 1 460 . 3 . 3 98 98 LYS N N 15 131.905 0.004 . 1 . . . . C 98 LYS N . 30675 1 461 . 3 . 3 99 99 THR H H 1 7.97260 0.001 . 1 . . . . C 99 THR H . 30675 1 462 . 3 . 3 99 99 THR N N 15 117.535 0.004 . 1 . . . . C 99 THR N . 30675 1 463 . 3 . 3 100 100 GLY H H 1 8.78876 0.001 . 1 . . . . C 100 GLY H . 30675 1 464 . 3 . 3 100 100 GLY N N 15 109.644 0.004 . 1 . . . . C 100 GLY N . 30675 1 465 . 3 . 3 101 101 LYS H H 1 8.84518 0.001 . 1 . . . . C 101 LYS H . 30675 1 466 . 3 . 3 101 101 LYS N N 15 122.316 0.004 . 1 . . . . C 101 LYS N . 30675 1 467 . 3 . 3 102 102 HIS H H 1 8.93899 0.001 . 1 . . . . C 102 HIS H . 30675 1 468 . 3 . 3 102 102 HIS N N 15 113.011 0.004 . 1 . . . . C 102 HIS N . 30675 1 469 . 3 . 3 103 103 VAL H H 1 7.11885 0.001 . 1 . . . . C 103 VAL H . 30675 1 470 . 3 . 3 103 103 VAL N N 15 119.194 0.004 . 1 . . . . C 103 VAL N . 30675 1 471 . 3 . 3 104 104 ASP H H 1 8.40976 0.001 . 1 . . . . C 104 ASP H . 30675 1 472 . 3 . 3 104 104 ASP N N 15 126.311 0.004 . 1 . . . . C 104 ASP N . 30675 1 473 . 3 . 3 105 105 ALA H H 1 8.34228 0.001 . 1 . . . . C 105 ALA H . 30675 1 474 . 3 . 3 105 105 ALA N N 15 118.624 0.004 . 1 . . . . C 105 ALA N . 30675 1 475 . 3 . 3 106 106 ASN H H 1 8.23860 0.001 . 1 . . . . C 106 ASN H . 30675 1 476 . 3 . 3 106 106 ASN N N 15 114.929 0.004 . 1 . . . . C 106 ASN N . 30675 1 477 . 3 . 3 107 107 GLY H H 1 8.77391 0.001 . 1 . . . . C 107 GLY H . 30675 1 478 . 3 . 3 107 107 GLY N N 15 110.166 0.004 . 1 . . . . C 107 GLY N . 30675 1 479 . 3 . 3 108 108 LYS H H 1 8.48138 0.001 . 1 . . . . C 108 LYS H . 30675 1 480 . 3 . 3 108 108 LYS N N 15 125.329 0.004 . 1 . . . . C 108 LYS N . 30675 1 481 . 3 . 3 109 109 ILE H H 1 7.74418 0.001 . 1 . . . . C 109 ILE H . 30675 1 482 . 3 . 3 109 109 ILE N N 15 126.175 0.004 . 1 . . . . C 109 ILE N . 30675 1 483 . 3 . 3 110 110 TYR H H 1 8.92326 0.001 . 1 . . . . C 110 TYR H . 30675 1 484 . 3 . 3 110 110 TYR N N 15 128.520 0.004 . 1 . . . . C 110 TYR N . 30675 1 485 . 3 . 3 111 111 LEU H H 1 7.40988 0.001 . 1 . . . . C 111 LEU H . 30675 1 486 . 3 . 3 111 111 LEU N N 15 121.011 0.004 . 1 . . . . C 111 LEU N . 30675 1 487 . 3 . 3 113 113 TYR H H 1 8.17936 0.001 . 1 . . . . C 113 TYR H . 30675 1 488 . 3 . 3 113 113 TYR N N 15 115.650 0.004 . 1 . . . . C 113 TYR N . 30675 1 489 . 3 . 3 114 114 LEU H H 1 7.18373 0.001 . 1 . . . . C 114 LEU H . 30675 1 490 . 3 . 3 114 114 LEU N N 15 112.965 0.004 . 1 . . . . C 114 LEU N . 30675 1 491 . 3 . 3 115 115 HIS H H 1 7.93827 0.001 . 1 . . . . C 115 HIS H . 30675 1 492 . 3 . 3 115 115 HIS N N 15 120.752 0.004 . 1 . . . . C 115 HIS N . 30675 1 493 . 3 . 3 116 116 GLU H H 1 8.36062 0.001 . 1 . . . . C 116 GLU H . 30675 1 494 . 3 . 3 116 116 GLU N N 15 116.453 0.004 . 1 . . . . C 116 GLU N . 30675 1 495 . 3 . 3 117 117 TRP H H 1 6.80977 0.001 . 1 . . . . C 117 TRP H . 30675 1 496 . 3 . 3 117 117 TRP N N 15 122.505 0.004 . 1 . . . . C 117 TRP N . 30675 1 497 . 3 . 3 118 118 LYS H H 1 8.12990 0.001 . 1 . . . . C 118 LYS H . 30675 1 498 . 3 . 3 118 118 LYS N N 15 129.633 0.004 . 1 . . . . C 118 LYS N . 30675 1 499 . 3 . 3 119 119 HIS H H 1 9.22402 0.001 . 1 . . . . C 119 HIS H . 30675 1 500 . 3 . 3 119 119 HIS N N 15 129.334 0.004 . 1 . . . . C 119 HIS N . 30675 1 501 . 3 . 3 121 121 GLN H H 1 7.93899 0.001 . 1 . . . . C 121 GLN H . 30675 1 502 . 3 . 3 121 121 GLN N N 15 126.542 0.004 . 1 . . . . C 121 GLN N . 30675 1 503 . 3 . 3 122 122 SER H H 1 7.78954 0.001 . 1 . . . . C 122 SER H . 30675 1 504 . 3 . 3 122 122 SER N N 15 117.296 0.004 . 1 . . . . C 122 SER N . 30675 1 505 . 3 . 3 123 123 ASP H H 1 8.39794 0.001 . 1 . . . . C 123 ASP H . 30675 1 506 . 3 . 3 123 123 ASP N N 15 121.434 0.004 . 1 . . . . C 123 ASP N . 30675 1 507 . 3 . 3 124 124 LEU H H 1 8.37670 0.001 . 1 . . . . C 124 LEU H . 30675 1 508 . 3 . 3 124 124 LEU N N 15 119.896 0.004 . 1 . . . . C 124 LEU N . 30675 1 509 . 3 . 3 125 125 LEU H H 1 8.09497 0.001 . 1 . . . . C 125 LEU H . 30675 1 510 . 3 . 3 125 125 LEU N N 15 119.236 0.004 . 1 . . . . C 125 LEU N . 30675 1 511 . 3 . 3 126 126 GLY H H 1 8.88051 0.001 . 1 . . . . C 126 GLY H . 30675 1 512 . 3 . 3 126 126 GLY N N 15 110.585 0.004 . 1 . . . . C 126 GLY N . 30675 1 513 . 3 . 3 127 127 LEU H H 1 7.97415 0.001 . 1 . . . . C 127 LEU H . 30675 1 514 . 3 . 3 127 127 LEU N N 15 123.742 0.004 . 1 . . . . C 127 LEU N . 30675 1 515 . 3 . 3 128 128 ILE H H 1 8.18568 0.001 . 1 . . . . C 128 ILE H . 30675 1 516 . 3 . 3 128 128 ILE N N 15 120.315 0.004 . 1 . . . . C 128 ILE N . 30675 1 517 . 3 . 3 129 129 GLN H H 1 7.85227 0.001 . 1 . . . . C 129 GLN H . 30675 1 518 . 3 . 3 129 129 GLN N N 15 117.876 0.004 . 1 . . . . C 129 GLN N . 30675 1 519 . 3 . 3 130 130 VAL H H 1 7.46559 0.001 . 1 . . . . C 130 VAL H . 30675 1 520 . 3 . 3 130 130 VAL N N 15 119.642 0.004 . 1 . . . . C 130 VAL N . 30675 1 521 . 3 . 3 131 131 MET H H 1 8.12385 0.001 . 1 . . . . C 131 MET H . 30675 1 522 . 3 . 3 131 131 MET N N 15 120.958 0.004 . 1 . . . . C 131 MET N . 30675 1 523 . 3 . 3 132 132 ILE H H 1 8.08060 0.001 . 1 . . . . C 132 ILE H . 30675 1 524 . 3 . 3 132 132 ILE N N 15 118.774 0.004 . 1 . . . . C 132 ILE N . 30675 1 525 . 3 . 3 133 133 VAL H H 1 7.32258 0.001 . 1 . . . . C 133 VAL H . 30675 1 526 . 3 . 3 133 133 VAL N N 15 120.915 0.004 . 1 . . . . C 133 VAL N . 30675 1 527 . 3 . 3 134 134 VAL H H 1 8.53343 0.001 . 1 . . . . C 134 VAL H . 30675 1 528 . 3 . 3 134 134 VAL N N 15 120.880 0.004 . 1 . . . . C 134 VAL N . 30675 1 529 . 3 . 3 135 135 PHE H H 1 8.93811 0.001 . 1 . . . . C 135 PHE H . 30675 1 530 . 3 . 3 135 135 PHE N N 15 120.154 0.004 . 1 . . . . C 135 PHE N . 30675 1 531 . 3 . 3 136 136 GLY H H 1 7.74729 0.001 . 1 . . . . C 136 GLY H . 30675 1 532 . 3 . 3 136 136 GLY N N 15 107.150 0.004 . 1 . . . . C 136 GLY N . 30675 1 533 . 3 . 3 137 137 ASP H H 1 7.31674 0.001 . 1 . . . . C 137 ASP H . 30675 1 534 . 3 . 3 137 137 ASP N N 15 119.633 0.004 . 1 . . . . C 137 ASP N . 30675 1 535 . 3 . 3 138 138 GLU H H 1 7.73995 0.001 . 1 . . . . C 138 GLU H . 30675 1 536 . 3 . 3 138 138 GLU N N 15 118.841 0.004 . 1 . . . . C 138 GLU N . 30675 1 537 . 3 . 3 141 141 VAL H H 1 6.67087 0.001 . 1 . . . . C 141 VAL H . 30675 1 538 . 3 . 3 141 141 VAL N N 15 110.008 0.004 . 1 . . . . C 141 VAL N . 30675 1 539 . 3 . 3 142 142 PHE H H 1 8.54150 0.001 . 1 . . . . C 142 PHE H . 30675 1 540 . 3 . 3 142 142 PHE N N 15 119.374 0.004 . 1 . . . . C 142 PHE N . 30675 1 541 . 3 . 3 143 143 SER H H 1 8.41646 0.001 . 1 . . . . C 143 SER H . 30675 1 542 . 3 . 3 143 143 SER N N 15 118.462 0.004 . 1 . . . . C 143 SER N . 30675 1 stop_ save_