################################### # 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 50023 _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' . . . 50023 1 2 '3D CBCA(CO)NH' . . . 50023 1 3 '3D HNCACB' . . . 50023 1 4 '3D C(CO)NH' . . . 50023 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 5 5 SER CA C 13 45.736 0.000 . . . . . . . 5 SER CA . 50023 1 2 . 1 . 1 6 6 SER H H 1 8.015 0.000 . . . . . . . 6 SER HN . 50023 1 3 . 1 . 1 6 6 SER CA C 13 58.663 0.000 . . . . . . . 6 SER CA . 50023 1 4 . 1 . 1 6 6 SER CB C 13 64.691 0.000 . . . . . . . 6 SER CB . 50023 1 5 . 1 . 1 6 6 SER N N 15 115.539 0.000 . . . . . . . 6 SER N . 50023 1 6 . 1 . 1 7 7 ILE H H 1 8.587 0.000 . . . . . . . 7 ILE HN . 50023 1 7 . 1 . 1 7 7 ILE CA C 13 60.404 0.000 . . . . . . . 7 ILE CA . 50023 1 8 . 1 . 1 7 7 ILE CB C 13 40.846 0.000 . . . . . . . 7 ILE CB . 50023 1 9 . 1 . 1 7 7 ILE N N 15 120.414 0.000 . . . . . . . 7 ILE N . 50023 1 10 . 1 . 1 8 8 LYS H H 1 8.555 0.000 . . . . . . . 8 LYS HN . 50023 1 11 . 1 . 1 8 8 LYS CA C 13 55.716 0.000 . . . . . . . 8 LYS CA . 50023 1 12 . 1 . 1 8 8 LYS CB C 13 33.478 0.000 . . . . . . . 8 LYS CB . 50023 1 13 . 1 . 1 8 8 LYS N N 15 125.851 0.000 . . . . . . . 8 LYS N . 50023 1 14 . 1 . 1 9 9 ILE H H 1 8.901 0.000 . . . . . . . 9 ILE HN . 50023 1 15 . 1 . 1 9 9 ILE CA C 13 58.194 0.000 . . . . . . . 9 ILE CA . 50023 1 16 . 1 . 1 9 9 ILE CB C 13 42.387 0.000 . . . . . . . 9 ILE CB . 50023 1 17 . 1 . 1 9 9 ILE N N 15 124.445 0.000 . . . . . . . 9 ILE N . 50023 1 18 . 1 . 1 10 10 ARG H H 1 9.461 0.000 . . . . . . . 10 ARG HN . 50023 1 19 . 1 . 1 10 10 ARG CA C 13 55.247 0.000 . . . . . . . 10 ARG CA . 50023 1 20 . 1 . 1 10 10 ARG CB C 13 31.804 0.000 . . . . . . . 10 ARG CB . 50023 1 21 . 1 . 1 10 10 ARG N N 15 126.508 0.000 . . . . . . . 10 ARG N . 50023 1 22 . 1 . 1 11 11 LEU H H 1 9.759 0.000 . . . . . . . 11 LEU HN . 50023 1 23 . 1 . 1 11 11 LEU CA C 13 54.066 0.000 . . . . . . . 11 LEU CA . 50023 1 24 . 1 . 1 11 11 LEU CB C 13 45.535 0.000 . . . . . . . 11 LEU CB . 50023 1 25 . 1 . 1 11 11 LEU N N 15 112.446 0.000 . . . . . . . 11 LEU N . 50023 1 26 . 1 . 1 12 12 THR H H 1 9.466 0.000 . . . . . . . 12 THR HN . 50023 1 27 . 1 . 1 12 12 THR CA C 13 63.084 0.000 . . . . . . . 12 THR CA . 50023 1 28 . 1 . 1 12 12 THR CB C 13 69.648 0.000 . . . . . . . 12 THR CB . 50023 1 29 . 1 . 1 12 12 THR N N 15 124.726 0.000 . . . . . . . 12 THR N . 50023 1 30 . 1 . 1 13 13 VAL H H 1 9.323 0.000 . . . . . . . 13 VAL HN . 50023 1 31 . 1 . 1 13 13 VAL CA C 13 61.811 0.000 . . . . . . . 13 VAL CA . 50023 1 32 . 1 . 1 13 13 VAL CB C 13 31.335 0.000 . . . . . . . 13 VAL CB . 50023 1 33 . 1 . 1 13 13 VAL N N 15 127.726 0.000 . . . . . . . 13 VAL N . 50023 1 34 . 1 . 1 14 14 LEU H H 1 8.971 0.000 . . . . . . . 14 LEU HN . 50023 1 35 . 1 . 1 14 14 LEU CA C 13 58.998 0.000 . . . . . . . 14 LEU CA . 50023 1 36 . 1 . 1 14 14 LEU CB C 13 43.525 0.000 . . . . . . . 14 LEU CB . 50023 1 37 . 1 . 1 14 14 LEU N N 15 127.914 0.000 . . . . . . . 14 LEU N . 50023 1 38 . 1 . 1 15 15 CYS H H 1 7.940 0.000 . . . . . . . 15 CYS HN . 50023 1 39 . 1 . 1 15 15 CYS CA C 13 56.051 0.000 . . . . . . . 15 CYS CA . 50023 1 40 . 1 . 1 15 15 CYS CB C 13 30.531 0.000 . . . . . . . 15 CYS CB . 50023 1 41 . 1 . 1 15 15 CYS N N 15 109.633 0.000 . . . . . . . 15 CYS N . 50023 1 42 . 1 . 1 16 16 ALA H H 1 8.446 0.000 . . . . . . . 16 ALA HN . 50023 1 43 . 1 . 1 16 16 ALA CA C 13 50.960 0.000 . . . . . . . 16 ALA CA . 50023 1 44 . 1 . 1 16 16 ALA CB C 13 22.360 0.000 . . . . . . . 16 ALA CB . 50023 1 45 . 1 . 1 16 16 ALA N N 15 119.242 0.000 . . . . . . . 16 ALA N . 50023 1 46 . 1 . 1 17 17 LYS H H 1 8.868 0.000 . . . . . . . 17 LYS HN . 50023 1 47 . 1 . 1 17 17 LYS CA C 13 54.175 0.000 . . . . . . . 17 LYS CA . 50023 1 48 . 1 . 1 17 17 LYS CB C 13 37.028 0.000 . . . . . . . 17 LYS CB . 50023 1 49 . 1 . 1 17 17 LYS N N 15 117.789 0.000 . . . . . . . 17 LYS N . 50023 1 50 . 1 . 1 18 18 ASN H H 1 9.126 0.000 . . . . . . . 18 ASN HN . 50023 1 51 . 1 . 1 18 18 ASN CA C 13 53.840 0.000 . . . . . . . 18 ASN CA . 50023 1 52 . 1 . 1 18 18 ASN CB C 13 37.832 0.000 . . . . . . . 18 ASN CB . 50023 1 53 . 1 . 1 18 18 ASN N N 15 119.102 0.000 . . . . . . . 18 ASN N . 50023 1 54 . 1 . 1 19 19 LEU H H 1 8.329 0.000 . . . . . . . 19 LEU HN . 50023 1 55 . 1 . 1 19 19 LEU CA C 13 55.180 0.000 . . . . . . . 19 LEU CA . 50023 1 56 . 1 . 1 19 19 LEU CB C 13 42.789 0.000 . . . . . . . 19 LEU CB . 50023 1 57 . 1 . 1 19 19 LEU N N 15 114.133 0.000 . . . . . . . 19 LEU N . 50023 1 58 . 1 . 1 20 20 ALA H H 1 8.389 0.000 . . . . . . . 20 ALA HN . 50023 1 59 . 1 . 1 20 20 ALA CA C 13 53.104 0.000 . . . . . . . 20 ALA CA . 50023 1 60 . 1 . 1 20 20 ALA CB C 13 19.412 0.000 . . . . . . . 20 ALA CB . 50023 1 61 . 1 . 1 20 20 ALA N N 15 120.695 0.000 . . . . . . . 20 ALA N . 50023 1 62 . 1 . 1 21 21 LYS H H 1 8.103 0.000 . . . . . . . 21 LYS HN . 50023 1 63 . 1 . 1 21 21 LYS N N 15 123.226 0.000 . . . . . . . 21 LYS N . 50023 1 64 . 1 . 1 22 22 LYS CA C 13 57.792 0.000 . . . . . . . 22 LYS CA . 50023 1 65 . 1 . 1 22 22 LYS CB C 13 32.942 0.000 . . . . . . . 22 LYS CB . 50023 1 66 . 1 . 1 23 23 ASP H H 1 8.227 0.000 . . . . . . . 23 ASP HN . 50023 1 67 . 1 . 1 23 23 ASP CA C 13 53.068 0.000 . . . . . . . 23 ASP CA . 50023 1 68 . 1 . 1 23 23 ASP CB C 13 43.602 0.000 . . . . . . . 23 ASP CB . 50023 1 69 . 1 . 1 23 23 ASP N N 15 119.383 0.000 . . . . . . . 23 ASP N . 50023 1 70 . 1 . 1 24 24 PHE H H 1 8.513 0.000 . . . . . . . 24 PHE HN . 50023 1 71 . 1 . 1 24 24 PHE N N 15 122.055 0.000 . . . . . . . 24 PHE N . 50023 1 72 . 1 . 1 25 25 PHE CA C 13 58.127 0.000 . . . . . . . 25 PHE CA . 50023 1 73 . 1 . 1 25 25 PHE CB C 13 40.913 0.000 . . . . . . . 25 PHE CB . 50023 1 74 . 1 . 1 26 26 ARG H H 1 7.658 0.000 . . . . . . . 26 ARG HN . 50023 1 75 . 1 . 1 26 26 ARG CA C 13 55.649 0.000 . . . . . . . 26 ARG CA . 50023 1 76 . 1 . 1 26 26 ARG CB C 13 33.344 0.000 . . . . . . . 26 ARG CB . 50023 1 77 . 1 . 1 26 26 ARG N N 15 118.820 0.000 . . . . . . . 26 ARG N . 50023 1 78 . 1 . 1 27 27 LEU H H 1 8.694 0.000 . . . . . . . 27 LEU HN . 50023 1 79 . 1 . 1 27 27 LEU N N 15 123.601 0.000 . . . . . . . 27 LEU N . 50023 1 80 . 1 . 1 28 28 PRO CA C 13 63.084 0.000 . . . . . . . 28 PRO CA . 50023 1 81 . 1 . 1 28 28 PRO CB C 13 33.545 0.000 . . . . . . . 28 PRO CB . 50023 1 82 . 1 . 1 29 29 ASP H H 1 7.419 0.000 . . . . . . . 29 ASP HN . 50023 1 83 . 1 . 1 29 29 ASP N N 15 117.039 0.000 . . . . . . . 29 ASP N . 50023 1 84 . 1 . 1 30 30 PRO CA C 13 62.883 0.000 . . . . . . . 30 PRO CA . 50023 1 85 . 1 . 1 30 30 PRO CB C 13 34.885 0.000 . . . . . . . 30 PRO CB . 50023 1 86 . 1 . 1 31 31 PHE H H 1 9.254 0.000 . . . . . . . 31 PHE HN . 50023 1 87 . 1 . 1 31 31 PHE CA C 13 56.587 0.000 . . . . . . . 31 PHE CA . 50023 1 88 . 1 . 1 31 31 PHE CB C 13 42.722 0.000 . . . . . . . 31 PHE CB . 50023 1 89 . 1 . 1 31 31 PHE N N 15 119.758 0.000 . . . . . . . 31 PHE N . 50023 1 90 . 1 . 1 32 32 ALA H H 1 8.391 0.000 . . . . . . . 32 ALA HN . 50023 1 91 . 1 . 1 32 32 ALA CA C 13 49.621 0.000 . . . . . . . 32 ALA CA . 50023 1 92 . 1 . 1 32 32 ALA CB C 13 19.948 0.000 . . . . . . . 32 ALA CB . 50023 1 93 . 1 . 1 32 32 ALA N N 15 122.289 0.000 . . . . . . . 32 ALA N . 50023 1 94 . 1 . 1 33 33 LYS H H 1 9.647 0.000 . . . . . . . 33 LYS HN . 50023 1 95 . 1 . 1 33 33 LYS CA C 13 55.314 0.000 . . . . . . . 33 LYS CA . 50023 1 96 . 1 . 1 33 33 LYS CB C 13 36.158 0.000 . . . . . . . 33 LYS CB . 50023 1 97 . 1 . 1 33 33 LYS N N 15 122.195 0.000 . . . . . . . 33 LYS N . 50023 1 98 . 1 . 1 34 34 ILE H H 1 9.185 0.000 . . . . . . . 34 ILE HN . 50023 1 99 . 1 . 1 34 34 ILE CA C 13 61.677 0.000 . . . . . . . 34 ILE CA . 50023 1 100 . 1 . 1 34 34 ILE CB C 13 41.985 0.000 . . . . . . . 34 ILE CB . 50023 1 101 . 1 . 1 34 34 ILE N N 15 125.570 0.000 . . . . . . . 34 ILE N . 50023 1 102 . 1 . 1 35 35 VAL H H 1 8.638 0.000 . . . . . . . 35 VAL HN . 50023 1 103 . 1 . 1 35 35 VAL CA C 13 59.936 0.000 . . . . . . . 35 VAL CA . 50023 1 104 . 1 . 1 35 35 VAL CB C 13 37.095 0.000 . . . . . . . 35 VAL CB . 50023 1 105 . 1 . 1 35 35 VAL N N 15 123.695 0.000 . . . . . . . 35 VAL N . 50023 1 106 . 1 . 1 36 36 VAL H H 1 7.626 0.000 . . . . . . . 36 VAL HN . 50023 1 107 . 1 . 1 36 36 VAL CA C 13 62.481 0.000 . . . . . . . 36 VAL CA . 50023 1 108 . 1 . 1 36 36 VAL CB C 13 31.268 0.000 . . . . . . . 36 VAL CB . 50023 1 109 . 1 . 1 36 36 VAL N N 15 124.820 0.000 . . . . . . . 36 VAL N . 50023 1 110 . 1 . 1 37 37 ASP H H 1 8.527 0.000 . . . . . . . 37 ASP HN . 50023 1 111 . 1 . 1 37 37 ASP N N 15 106.633 0.000 . . . . . . . 37 ASP N . 50023 1 112 . 1 . 1 38 38 GLY CA C 13 46.138 0.000 . . . . . . . 38 GLY CA . 50023 1 113 . 1 . 1 39 39 SER H H 1 8.035 0.000 . . . . . . . 39 SER HN . 50023 1 114 . 1 . 1 39 39 SER N N 15 114.789 0.000 . . . . . . . 39 SER N . 50023 1 115 . 1 . 1 40 40 GLY CA C 13 45.736 0.000 . . . . . . . 40 GLY CA . 50023 1 116 . 1 . 1 41 41 GLN H H 1 8.257 0.000 . . . . . . . 41 GLN HN . 50023 1 117 . 1 . 1 41 41 GLN CA C 13 56.319 0.000 . . . . . . . 41 GLN CA . 50023 1 118 . 1 . 1 41 41 GLN CB C 13 30.531 0.000 . . . . . . . 41 GLN CB . 50023 1 119 . 1 . 1 41 41 GLN N N 15 120.320 0.000 . . . . . . . 41 GLN N . 50023 1 120 . 1 . 1 42 42 CYS H H 1 7.843 0.000 . . . . . . . 42 CYS HN . 50023 1 121 . 1 . 1 42 42 CYS CA C 13 56.988 0.000 . . . . . . . 42 CYS CA . 50023 1 122 . 1 . 1 42 42 CYS CB C 13 29.125 0.000 . . . . . . . 42 CYS CB . 50023 1 123 . 1 . 1 42 42 CYS N N 15 124.224 0.000 . . . . . . . 42 CYS N . 50023 1 124 . 1 . 1 43 43 HIS H H 1 9.007 0.000 . . . . . . . 43 HIS HN . 50023 1 125 . 1 . 1 43 43 HIS CA C 13 55.046 0.000 . . . . . . . 43 HIS CA . 50023 1 126 . 1 . 1 43 43 HIS CB C 13 35.756 0.000 . . . . . . . 43 HIS CB . 50023 1 127 . 1 . 1 43 43 HIS N N 15 125.851 0.000 . . . . . . . 43 HIS N . 50023 1 128 . 1 . 1 44 44 SER H H 1 8.772 0.000 . . . . . . . 44 SER HN . 50023 1 129 . 1 . 1 44 44 SER CA C 13 57.323 0.000 . . . . . . . 44 SER CA . 50023 1 130 . 1 . 1 44 44 SER CB C 13 66.299 0.000 . . . . . . . 44 SER CB . 50023 1 131 . 1 . 1 44 44 SER N N 15 115.633 0.000 . . . . . . . 44 SER N . 50023 1 132 . 1 . 1 45 45 THR H H 1 9.072 0.000 . . . . . . . 45 THR HN . 50023 1 133 . 1 . 1 45 45 THR CA C 13 61.610 0.000 . . . . . . . 45 THR CA . 50023 1 134 . 1 . 1 45 45 THR CB C 13 72.461 0.000 . . . . . . . 45 THR CB . 50023 1 135 . 1 . 1 45 45 THR N N 15 114.883 0.000 . . . . . . . 45 THR N . 50023 1 136 . 1 . 1 46 46 ASP H H 1 9.478 0.000 . . . . . . . 46 ASP HN . 50023 1 137 . 1 . 1 46 46 ASP CA C 13 55.180 0.000 . . . . . . . 46 ASP CA . 50023 1 138 . 1 . 1 46 46 ASP CB C 13 41.315 0.000 . . . . . . . 46 ASP CB . 50023 1 139 . 1 . 1 46 46 ASP N N 15 119.664 0.000 . . . . . . . 46 ASP N . 50023 1 140 . 1 . 1 47 47 THR H H 1 8.653 0.000 . . . . . . . 47 THR HN . 50023 1 141 . 1 . 1 47 47 THR CA C 13 62.950 0.000 . . . . . . . 47 THR CA . 50023 1 142 . 1 . 1 47 47 THR CB C 13 70.184 0.000 . . . . . . . 47 THR CB . 50023 1 143 . 1 . 1 47 47 THR N N 15 117.977 0.000 . . . . . . . 47 THR N . 50023 1 144 . 1 . 1 48 48 VAL H H 1 8.227 0.000 . . . . . . . 48 VAL HN . 50023 1 145 . 1 . 1 48 48 VAL CA C 13 61.141 0.000 . . . . . . . 48 VAL CA . 50023 1 146 . 1 . 1 48 48 VAL CB C 13 33.411 0.000 . . . . . . . 48 VAL CB . 50023 1 147 . 1 . 1 48 48 VAL N N 15 127.726 0.000 . . . . . . . 48 VAL N . 50023 1 148 . 1 . 1 49 49 LYS H H 1 8.136 0.000 . . . . . . . 49 LYS HN . 50023 1 149 . 1 . 1 49 49 LYS CA C 13 56.587 0.000 . . . . . . . 49 LYS CA . 50023 1 150 . 1 . 1 49 49 LYS CB C 13 33.411 0.000 . . . . . . . 49 LYS CB . 50023 1 151 . 1 . 1 49 49 LYS N N 15 120.883 0.000 . . . . . . . 49 LYS N . 50023 1 152 . 1 . 1 50 50 ASN H H 1 9.646 0.000 . . . . . . . 50 ASN HN . 50023 1 153 . 1 . 1 50 50 ASN CA C 13 54.376 0.000 . . . . . . . 50 ASN CA . 50023 1 154 . 1 . 1 50 50 ASN CB C 13 38.569 0.000 . . . . . . . 50 ASN CB . 50023 1 155 . 1 . 1 50 50 ASN N N 15 121.352 0.000 . . . . . . . 50 ASN N . 50023 1 156 . 1 . 1 51 51 THR H H 1 8.274 0.000 . . . . . . . 51 THR HN . 50023 1 157 . 1 . 1 51 51 THR CA C 13 61.074 0.000 . . . . . . . 51 THR CA . 50023 1 158 . 1 . 1 51 51 THR CB C 13 68.308 0.000 . . . . . . . 51 THR CB . 50023 1 159 . 1 . 1 51 51 THR N N 15 111.977 0.000 . . . . . . . 51 THR N . 50023 1 160 . 1 . 1 52 52 LEU H H 1 8.257 0.000 . . . . . . . 52 LEU HN . 50023 1 161 . 1 . 1 52 52 LEU CA C 13 53.840 0.000 . . . . . . . 52 LEU CA . 50023 1 162 . 1 . 1 52 52 LEU CB C 13 41.382 0.000 . . . . . . . 52 LEU CB . 50023 1 163 . 1 . 1 52 52 LEU N N 15 122.383 0.000 . . . . . . . 52 LEU N . 50023 1 164 . 1 . 1 53 53 ASP H H 1 8.527 0.000 . . . . . . . 53 ASP HN . 50023 1 165 . 1 . 1 53 53 ASP N N 15 116.758 0.000 . . . . . . . 53 ASP N . 50023 1 166 . 1 . 1 54 54 PRO CA C 13 63.218 0.000 . . . . . . . 54 PRO CA . 50023 1 167 . 1 . 1 54 54 PRO CB C 13 32.139 0.000 . . . . . . . 54 PRO CB . 50023 1 168 . 1 . 1 55 55 LYS H H 1 7.870 0.000 . . . . . . . 55 LYS HN . 50023 1 169 . 1 . 1 55 55 LYS CA C 13 55.515 0.000 . . . . . . . 55 LYS CA . 50023 1 170 . 1 . 1 55 55 LYS CB C 13 33.277 0.000 . . . . . . . 55 LYS CB . 50023 1 171 . 1 . 1 55 55 LYS N N 15 120.414 0.000 . . . . . . . 55 LYS N . 50023 1 172 . 1 . 1 56 56 TRP H H 1 7.658 0.000 . . . . . . . 56 TRP HN . 50023 1 173 . 1 . 1 56 56 TRP CA C 13 60.873 0.000 . . . . . . . 56 TRP CA . 50023 1 174 . 1 . 1 56 56 TRP CB C 13 29.259 0.000 . . . . . . . 56 TRP CB . 50023 1 175 . 1 . 1 56 56 TRP N N 15 122.195 0.000 . . . . . . . 56 TRP N . 50023 1 176 . 1 . 1 57 57 ASN H H 1 8.944 0.000 . . . . . . . 57 ASN HN . 50023 1 177 . 1 . 1 57 57 ASN CA C 13 54.041 0.000 . . . . . . . 57 ASN CA . 50023 1 178 . 1 . 1 57 57 ASN CB C 13 37.765 0.000 . . . . . . . 57 ASN CB . 50023 1 179 . 1 . 1 57 57 ASN N N 15 116.945 0.000 . . . . . . . 57 ASN N . 50023 1 180 . 1 . 1 58 58 GLN H H 1 7.517 0.000 . . . . . . . 58 GLN HN . 50023 1 181 . 1 . 1 58 58 GLN CA C 13 55.582 0.000 . . . . . . . 58 GLN CA . 50023 1 182 . 1 . 1 58 58 GLN CB C 13 35.220 0.000 . . . . . . . 58 GLN CB . 50023 1 183 . 1 . 1 58 58 GLN N N 15 116.289 0.000 . . . . . . . 58 GLN N . 50023 1 184 . 1 . 1 59 59 HIS H H 1 7.788 0.000 . . . . . . . 59 HIS HN . 50023 1 185 . 1 . 1 59 59 HIS CA C 13 53.372 0.000 . . . . . . . 59 HIS CA . 50023 1 186 . 1 . 1 59 59 HIS CB C 13 34.550 0.000 . . . . . . . 59 HIS CB . 50023 1 187 . 1 . 1 59 59 HIS N N 15 118.070 0.000 . . . . . . . 59 HIS N . 50023 1 188 . 1 . 1 60 60 TYR H H 1 8.545 0.000 . . . . . . . 60 TYR HN . 50023 1 189 . 1 . 1 60 60 TYR CA C 13 57.926 0.000 . . . . . . . 60 TYR CA . 50023 1 190 . 1 . 1 60 60 TYR CB C 13 42.856 0.000 . . . . . . . 60 TYR CB . 50023 1 191 . 1 . 1 60 60 TYR N N 15 116.383 0.000 . . . . . . . 60 TYR N . 50023 1 192 . 1 . 1 61 61 ASP H H 1 8.746 0.000 . . . . . . . 61 ASP HN . 50023 1 193 . 1 . 1 61 61 ASP CB C 13 47.544 6.899 . . . . . . . 61 ASP CB . 50023 1 194 . 1 . 1 61 61 ASP N N 15 124.914 0.000 . . . . . . . 61 ASP N . 50023 1 195 . 1 . 1 62 62 LEU H H 1 9.192 0.000 . . . . . . . 62 LEU HN . 50023 1 196 . 1 . 1 62 62 LEU CA C 13 53.238 0.000 . . . . . . . 62 LEU CA . 50023 1 197 . 1 . 1 62 62 LEU CB C 13 44.932 0.000 . . . . . . . 62 LEU CB . 50023 1 198 . 1 . 1 62 62 LEU N N 15 124.726 0.000 . . . . . . . 62 LEU N . 50023 1 199 . 1 . 1 63 63 TYR H H 1 8.930 0.000 . . . . . . . 63 TYR HN . 50023 1 200 . 1 . 1 63 63 TYR CA C 13 57.725 0.000 . . . . . . . 63 TYR CA . 50023 1 201 . 1 . 1 63 63 TYR CB C 13 39.440 0.000 . . . . . . . 63 TYR CB . 50023 1 202 . 1 . 1 63 63 TYR N N 15 121.539 0.000 . . . . . . . 63 TYR N . 50023 1 203 . 1 . 1 64 64 VAL H H 1 9.137 0.000 . . . . . . . 64 VAL HN . 50023 1 204 . 1 . 1 64 64 VAL CA C 13 61.342 0.000 . . . . . . . 64 VAL CA . 50023 1 205 . 1 . 1 64 64 VAL CB C 13 35.086 0.000 . . . . . . . 64 VAL CB . 50023 1 206 . 1 . 1 64 64 VAL N N 15 122.758 0.000 . . . . . . . 64 VAL N . 50023 1 207 . 1 . 1 65 65 GLY H H 1 9.942 0.000 . . . . . . . 65 GLY HN . 50023 1 208 . 1 . 1 65 65 GLY CA C 13 44.396 0.000 . . . . . . . 65 GLY CA . 50023 1 209 . 1 . 1 65 65 GLY N N 15 116.477 0.000 . . . . . . . 65 GLY N . 50023 1 210 . 1 . 1 66 66 LYS H H 1 8.638 0.000 . . . . . . . 66 LYS HN . 50023 1 211 . 1 . 1 66 66 LYS CA C 13 59.869 0.000 . . . . . . . 66 LYS CA . 50023 1 212 . 1 . 1 66 66 LYS CB C 13 33.143 0.000 . . . . . . . 66 LYS CB . 50023 1 213 . 1 . 1 66 66 LYS N N 15 119.570 0.000 . . . . . . . 66 LYS N . 50023 1 214 . 1 . 1 67 67 THR H H 1 8.171 0.000 . . . . . . . 67 THR HN . 50023 1 215 . 1 . 1 67 67 THR CA C 13 60.739 0.000 . . . . . . . 67 THR CA . 50023 1 216 . 1 . 1 67 67 THR CB C 13 69.246 0.000 . . . . . . . 67 THR CB . 50023 1 217 . 1 . 1 67 67 THR N N 15 129.320 0.000 . . . . . . . 67 THR N . 50023 1 218 . 1 . 1 68 68 ASP H H 1 7.150 0.000 . . . . . . . 68 ASP HN . 50023 1 219 . 1 . 1 68 68 ASP CA C 13 55.649 0.000 . . . . . . . 68 ASP CA . 50023 1 220 . 1 . 1 68 68 ASP CB C 13 43.057 0.000 . . . . . . . 68 ASP CB . 50023 1 221 . 1 . 1 68 68 ASP N N 15 122.758 0.000 . . . . . . . 68 ASP N . 50023 1 222 . 1 . 1 69 69 SER H H 1 8.682 0.000 . . . . . . . 69 SER HN . 50023 1 223 . 1 . 1 69 69 SER CA C 13 56.319 0.000 . . . . . . . 69 SER CA . 50023 1 224 . 1 . 1 69 69 SER CB C 13 67.772 0.000 . . . . . . . 69 SER CB . 50023 1 225 . 1 . 1 69 69 SER N N 15 111.696 0.000 . . . . . . . 69 SER N . 50023 1 226 . 1 . 1 70 70 ILE H H 1 8.554 0.000 . . . . . . . 70 ILE HN . 50023 1 227 . 1 . 1 70 70 ILE CA C 13 59.802 0.000 . . . . . . . 70 ILE CA . 50023 1 228 . 1 . 1 70 70 ILE CB C 13 43.257 0.000 . . . . . . . 70 ILE CB . 50023 1 229 . 1 . 1 70 70 ILE N N 15 119.008 0.000 . . . . . . . 70 ILE N . 50023 1 230 . 1 . 1 71 71 THR H H 1 9.093 0.000 . . . . . . . 71 THR HN . 50023 1 231 . 1 . 1 71 71 THR CA C 13 63.151 0.000 . . . . . . . 71 THR CA . 50023 1 232 . 1 . 1 71 71 THR CB C 13 69.782 0.000 . . . . . . . 71 THR CB . 50023 1 233 . 1 . 1 71 71 THR N N 15 123.789 0.000 . . . . . . . 71 THR N . 50023 1 234 . 1 . 1 72 72 ILE H H 1 9.064 0.000 . . . . . . . 72 ILE HN . 50023 1 235 . 1 . 1 72 72 ILE CA C 13 59.936 0.000 . . . . . . . 72 ILE CA . 50023 1 236 . 1 . 1 72 72 ILE CB C 13 40.042 0.000 . . . . . . . 72 ILE CB . 50023 1 237 . 1 . 1 72 72 ILE N N 15 129.039 0.000 . . . . . . . 72 ILE N . 50023 1 238 . 1 . 1 73 73 SER H H 1 9.679 0.000 . . . . . . . 73 SER HN . 50023 1 239 . 1 . 1 73 73 SER CA C 13 56.252 0.000 . . . . . . . 73 SER CA . 50023 1 240 . 1 . 1 73 73 SER CB C 13 66.031 0.000 . . . . . . . 73 SER CB . 50023 1 241 . 1 . 1 73 73 SER N N 15 120.508 0.000 . . . . . . . 73 SER N . 50023 1 242 . 1 . 1 74 74 VAL H H 1 8.525 0.000 . . . . . . . 74 VAL HN . 50023 1 243 . 1 . 1 74 74 VAL CA C 13 61.275 0.000 . . . . . . . 74 VAL CA . 50023 1 244 . 1 . 1 74 74 VAL CB C 13 32.809 0.000 . . . . . . . 74 VAL CB . 50023 1 245 . 1 . 1 74 74 VAL N N 15 122.102 0.000 . . . . . . . 74 VAL N . 50023 1 246 . 1 . 1 75 75 TRP H H 1 8.606 0.000 . . . . . . . 75 TRP HN . 50023 1 247 . 1 . 1 75 75 TRP CA C 13 54.912 0.000 . . . . . . . 75 TRP CA . 50023 1 248 . 1 . 1 75 75 TRP CB C 13 33.813 0.000 . . . . . . . 75 TRP CB . 50023 1 249 . 1 . 1 75 75 TRP N N 15 124.539 0.000 . . . . . . . 75 TRP N . 50023 1 250 . 1 . 1 76 76 ASN H H 1 9.795 0.000 . . . . . . . 76 ASN HN . 50023 1 251 . 1 . 1 76 76 ASN CA C 13 51.094 0.000 . . . . . . . 76 ASN CA . 50023 1 252 . 1 . 1 76 76 ASN CB C 13 38.569 0.000 . . . . . . . 76 ASN CB . 50023 1 253 . 1 . 1 76 76 ASN N N 15 116.383 0.000 . . . . . . . 76 ASN N . 50023 1 254 . 1 . 1 77 77 HIS H H 1 9.944 0.000 . . . . . . . 77 HIS HN . 50023 1 255 . 1 . 1 77 77 HIS CA C 13 61.128 0.000 . . . . . . . 77 HIS CA . 50023 1 256 . 1 . 1 77 77 HIS CB C 13 32.286 0.000 . . . . . . . 77 HIS CB . 50023 1 257 . 1 . 1 77 77 HIS N N 15 127.820 0.000 . . . . . . . 77 HIS N . 50023 1 258 . 1 . 1 78 78 LYS H H 1 7.748 0.000 . . . . . . . 78 LYS HN . 50023 1 259 . 1 . 1 78 78 LYS CA C 13 59.199 0.000 . . . . . . . 78 LYS CA . 50023 1 260 . 1 . 1 78 78 LYS CB C 13 33.344 0.000 . . . . . . . 78 LYS CB . 50023 1 261 . 1 . 1 78 78 LYS N N 15 112.680 0.000 . . . . . . . 78 LYS N . 50023 1 262 . 1 . 1 79 79 LYS H H 1 7.643 0.000 . . . . . . . 79 LYS HN . 50023 1 263 . 1 . 1 79 79 LYS N N 15 114.321 0.000 . . . . . . . 79 LYS N . 50023 1 264 . 1 . 1 80 80 ILE CA C 13 64.222 0.000 . . . . . . . 80 ILE CA . 50023 1 265 . 1 . 1 80 80 ILE CB C 13 38.904 0.000 . . . . . . . 80 ILE CB . 50023 1 266 . 1 . 1 81 81 HIS H H 1 8.324 0.000 . . . . . . . 81 HIS HN . 50023 1 267 . 1 . 1 81 81 HIS CA C 13 56.922 0.000 . . . . . . . 81 HIS CA . 50023 1 268 . 1 . 1 81 81 HIS CB C 13 30.531 0.000 . . . . . . . 81 HIS CB . 50023 1 269 . 1 . 1 81 81 HIS N N 15 117.789 0.000 . . . . . . . 81 HIS N . 50023 1 270 . 1 . 1 82 82 LYS H H 1 7.557 0.000 . . . . . . . 82 LYS HN . 50023 1 271 . 1 . 1 82 82 LYS CA C 13 57.926 0.000 . . . . . . . 82 LYS CA . 50023 1 272 . 1 . 1 82 82 LYS CB C 13 32.407 0.000 . . . . . . . 82 LYS CB . 50023 1 273 . 1 . 1 82 82 LYS N N 15 120.695 0.000 . . . . . . . 82 LYS N . 50023 1 274 . 1 . 1 83 83 LYS H H 1 7.554 0.000 . . . . . . . 83 LYS HN . 50023 1 275 . 1 . 1 83 83 LYS N N 15 115.445 0.000 . . . . . . . 83 LYS N . 50023 1 276 . 1 . 1 84 84 GLN CA C 13 57.792 0.000 . . . . . . . 84 GLN CA . 50023 1 277 . 1 . 1 84 84 GLN CB C 13 28.187 0.000 . . . . . . . 84 GLN CB . 50023 1 278 . 1 . 1 85 85 GLY H H 1 8.768 0.000 . . . . . . . 85 GLY HN . 50023 1 279 . 1 . 1 85 85 GLY CA C 13 46.104 0.235 . . . . . . . 85 GLY CA . 50023 1 280 . 1 . 1 85 85 GLY N N 15 113.226 0.000 . . . . . . . 85 GLY N . 50023 1 281 . 1 . 1 86 86 ALA H H 1 7.949 0.000 . . . . . . . 86 ALA HN . 50023 1 282 . 1 . 1 86 86 ALA CA C 13 53.606 0.100 . . . . . . . 86 ALA CA . 50023 1 283 . 1 . 1 86 86 ALA CB C 13 20.551 0.067 . . . . . . . 86 ALA CB . 50023 1 284 . 1 . 1 86 86 ALA N N 15 123.789 0.000 . . . . . . . 86 ALA N . 50023 1 285 . 1 . 1 87 87 GLY H H 1 8.985 0.000 . . . . . . . 87 GLY HN . 50023 1 286 . 1 . 1 87 87 GLY CA C 13 46.874 0.201 . . . . . . . 87 GLY CA . 50023 1 287 . 1 . 1 87 87 GLY N N 15 129.320 0.000 . . . . . . . 87 GLY N . 50023 1 288 . 1 . 1 88 88 PHE H H 1 8.083 0.000 . . . . . . . 88 PHE HN . 50023 1 289 . 1 . 1 88 88 PHE CA C 13 60.203 0.201 . . . . . . . 88 PHE CA . 50023 1 290 . 1 . 1 88 88 PHE CB C 13 39.272 0.101 . . . . . . . 88 PHE CB . 50023 1 291 . 1 . 1 88 88 PHE N N 15 121.258 0.000 . . . . . . . 88 PHE N . 50023 1 292 . 1 . 1 89 89 LEU H H 1 8.234 0.000 . . . . . . . 89 LEU HN . 50023 1 293 . 1 . 1 89 89 LEU CA C 13 53.840 0.000 . . . . . . . 89 LEU CA . 50023 1 294 . 1 . 1 89 89 LEU CB C 13 44.061 0.000 . . . . . . . 89 LEU CB . 50023 1 295 . 1 . 1 89 89 LEU N N 15 126.601 0.000 . . . . . . . 89 LEU N . 50023 1 296 . 1 . 1 90 90 GLY CA C 13 45.535 0.000 . . . . . . . 90 GLY CA . 50023 1 297 . 1 . 1 91 91 CYS H H 1 9.263 0.000 . . . . . . . 91 CYS HN . 50023 1 298 . 1 . 1 91 91 CYS CA C 13 55.850 0.000 . . . . . . . 91 CYS CA . 50023 1 299 . 1 . 1 91 91 CYS CB C 13 33.277 0.000 . . . . . . . 91 CYS CB . 50023 1 300 . 1 . 1 91 91 CYS N N 15 114.977 0.000 . . . . . . . 91 CYS N . 50023 1 301 . 1 . 1 92 92 VAL H H 1 9.230 0.000 . . . . . . . 92 VAL HN . 50023 1 302 . 1 . 1 92 92 VAL CA C 13 61.945 0.000 . . . . . . . 92 VAL CA . 50023 1 303 . 1 . 1 92 92 VAL CB C 13 35.555 0.000 . . . . . . . 92 VAL CB . 50023 1 304 . 1 . 1 92 92 VAL N N 15 116.102 0.000 . . . . . . . 92 VAL N . 50023 1 305 . 1 . 1 93 93 ARG H H 1 8.651 0.000 . . . . . . . 93 ARG HN . 50023 1 306 . 1 . 1 93 93 ARG CA C 13 54.979 0.000 . . . . . . . 93 ARG CA . 50023 1 307 . 1 . 1 93 93 ARG CB C 13 31.603 0.000 . . . . . . . 93 ARG CB . 50023 1 308 . 1 . 1 93 93 ARG N N 15 125.476 0.000 . . . . . . . 93 ARG N . 50023 1 309 . 1 . 1 94 94 LEU H H 1 9.632 0.000 . . . . . . . 94 LEU HN . 50023 1 310 . 1 . 1 94 94 LEU CA C 13 53.104 0.000 . . . . . . . 94 LEU CA . 50023 1 311 . 1 . 1 94 94 LEU CB C 13 42.521 0.000 . . . . . . . 94 LEU CB . 50023 1 312 . 1 . 1 94 94 LEU N N 15 127.351 0.000 . . . . . . . 94 LEU N . 50023 1 313 . 1 . 1 95 95 LEU H H 1 8.125 0.000 . . . . . . . 95 LEU HN . 50023 1 314 . 1 . 1 95 95 LEU CA C 13 54.424 0.000 . . . . . . . 95 LEU CA . 50023 1 315 . 1 . 1 95 95 LEU CB C 13 42.186 0.000 . . . . . . . 95 LEU CB . 50023 1 316 . 1 . 1 95 95 LEU N N 15 122.289 0.000 . . . . . . . 95 LEU N . 50023 1 317 . 1 . 1 96 96 SER H H 1 8.847 0.000 . . . . . . . 96 SER HN . 50023 1 318 . 1 . 1 96 96 SER N N 15 116.195 0.000 . . . . . . . 96 SER N . 50023 1 319 . 1 . 1 97 97 ASN CA C 13 56.319 0.000 . . . . . . . 97 ASN CA . 50023 1 320 . 1 . 1 97 97 ASN CB C 13 37.363 0.000 . . . . . . . 97 ASN CB . 50023 1 321 . 1 . 1 98 98 ALA H H 1 7.361 0.000 . . . . . . . 98 ALA HN . 50023 1 322 . 1 . 1 98 98 ALA CA C 13 54.979 0.000 . . . . . . . 98 ALA CA . 50023 1 323 . 1 . 1 98 98 ALA CB C 13 19.211 0.000 . . . . . . . 98 ALA CB . 50023 1 324 . 1 . 1 98 98 ALA N N 15 124.820 0.000 . . . . . . . 98 ALA N . 50023 1 325 . 1 . 1 99 99 ILE H H 1 8.290 0.000 . . . . . . . 99 ILE HN . 50023 1 326 . 1 . 1 99 99 ILE CA C 13 66.634 0.000 . . . . . . . 99 ILE CA . 50023 1 327 . 1 . 1 99 99 ILE CB C 13 38.301 0.000 . . . . . . . 99 ILE CB . 50023 1 328 . 1 . 1 99 99 ILE N N 15 119.195 0.000 . . . . . . . 99 ILE N . 50023 1 329 . 1 . 1 100 100 SER H H 1 7.775 0.000 . . . . . . . 100 SER HN . 50023 1 330 . 1 . 1 100 100 SER CA C 13 62.064 0.000 . . . . . . . 100 SER CA . 50023 1 331 . 1 . 1 100 100 SER CB C 13 63.017 0.000 . . . . . . . 100 SER CB . 50023 1 332 . 1 . 1 100 100 SER N N 15 111.508 0.000 . . . . . . . 100 SER N . 50023 1 333 . 1 . 1 101 101 ARG H H 1 7.465 0.000 . . . . . . . 101 ARG HN . 50023 1 334 . 1 . 1 101 101 ARG CA C 13 58.328 0.000 . . . . . . . 101 ARG CA . 50023 1 335 . 1 . 1 101 101 ARG CB C 13 31.134 0.000 . . . . . . . 101 ARG CB . 50023 1 336 . 1 . 1 101 101 ARG N N 15 118.727 0.000 . . . . . . . 101 ARG N . 50023 1 337 . 1 . 1 102 102 LEU H H 1 8.328 0.000 . . . . . . . 102 LEU HN . 50023 1 338 . 1 . 1 102 102 LEU CA C 13 55.917 0.000 . . . . . . . 102 LEU CA . 50023 1 339 . 1 . 1 102 102 LEU CB C 13 44.262 0.000 . . . . . . . 102 LEU CB . 50023 1 340 . 1 . 1 102 102 LEU N N 15 115.727 0.000 . . . . . . . 102 LEU N . 50023 1 341 . 1 . 1 103 103 LYS H H 1 8.156 0.000 . . . . . . . 103 LYS HN . 50023 1 342 . 1 . 1 103 103 LYS CA C 13 58.261 0.000 . . . . . . . 103 LYS CA . 50023 1 343 . 1 . 1 103 103 LYS CB C 13 32.072 0.000 . . . . . . . 103 LYS CB . 50023 1 344 . 1 . 1 103 103 LYS N N 15 123.508 0.000 . . . . . . . 103 LYS N . 50023 1 345 . 1 . 1 104 104 ASP H H 1 9.306 0.000 . . . . . . . 104 ASP HN . 50023 1 346 . 1 . 1 104 104 ASP CA C 13 57.055 0.000 . . . . . . . 104 ASP CA . 50023 1 347 . 1 . 1 104 104 ASP CB C 13 39.239 0.000 . . . . . . . 104 ASP CB . 50023 1 348 . 1 . 1 104 104 ASP N N 15 115.070 0.000 . . . . . . . 104 ASP N . 50023 1 349 . 1 . 1 105 105 THR H H 1 7.507 0.000 . . . . . . . 105 THR HN . 50023 1 350 . 1 . 1 105 105 THR CA C 13 61.878 0.000 . . . . . . . 105 THR CA . 50023 1 351 . 1 . 1 105 105 THR CB C 13 70.720 0.000 . . . . . . . 105 THR CB . 50023 1 352 . 1 . 1 105 105 THR N N 15 129.039 0.000 . . . . . . . 105 THR N . 50023 1 353 . 1 . 1 106 106 GLY H H 1 8.943 0.000 . . . . . . . 106 GLY HN . 50023 1 354 . 1 . 1 106 106 GLY CA C 13 44.262 0.000 . . . . . . . 106 GLY CA . 50023 1 355 . 1 . 1 106 106 GLY N N 15 112.727 0.000 . . . . . . . 106 GLY N . 50023 1 356 . 1 . 1 107 107 TYR H H 1 8.266 0.000 . . . . . . . 107 TYR HN . 50023 1 357 . 1 . 1 107 107 TYR CA C 13 60.003 0.000 . . . . . . . 107 TYR CA . 50023 1 358 . 1 . 1 107 107 TYR CB C 13 38.167 0.000 . . . . . . . 107 TYR CB . 50023 1 359 . 1 . 1 107 107 TYR N N 15 117.602 0.000 . . . . . . . 107 TYR N . 50023 1 360 . 1 . 1 108 108 GLN H H 1 9.453 0.000 . . . . . . . 108 GLN HN . 50023 1 361 . 1 . 1 108 108 GLN CA C 13 53.974 0.000 . . . . . . . 108 GLN CA . 50023 1 362 . 1 . 1 108 108 GLN CB C 13 30.598 0.000 . . . . . . . 108 GLN CB . 50023 1 363 . 1 . 1 108 108 GLN N N 15 121.914 0.000 . . . . . . . 108 GLN N . 50023 1 364 . 1 . 1 109 109 ARG H H 1 8.674 0.000 . . . . . . . 109 ARG HN . 50023 1 365 . 1 . 1 109 109 ARG CA C 13 55.381 0.000 . . . . . . . 109 ARG CA . 50023 1 366 . 1 . 1 109 109 ARG CB C 13 31.067 0.000 . . . . . . . 109 ARG CB . 50023 1 367 . 1 . 1 109 109 ARG N N 15 122.664 0.000 . . . . . . . 109 ARG N . 50023 1 368 . 1 . 1 110 110 LEU H H 1 9.268 0.000 . . . . . . . 110 LEU HN . 50023 1 369 . 1 . 1 110 110 LEU CA C 13 53.506 0.000 . . . . . . . 110 LEU CA . 50023 1 370 . 1 . 1 110 110 LEU CB C 13 44.731 0.000 . . . . . . . 110 LEU CB . 50023 1 371 . 1 . 1 110 110 LEU N N 15 126.320 0.000 . . . . . . . 110 LEU N . 50023 1 372 . 1 . 1 111 111 ASP H H 1 8.568 0.000 . . . . . . . 111 ASP HN . 50023 1 373 . 1 . 1 111 111 ASP CA C 13 55.582 0.000 . . . . . . . 111 ASP CA . 50023 1 374 . 1 . 1 111 111 ASP CB C 13 41.114 0.000 . . . . . . . 111 ASP CB . 50023 1 375 . 1 . 1 111 111 ASP N N 15 122.570 0.000 . . . . . . . 111 ASP N . 50023 1 376 . 1 . 1 112 112 LEU H H 1 8.035 0.002 . . . . . . . 112 LEU HN . 50023 1 377 . 1 . 1 112 112 LEU CA C 13 55.381 0.000 . . . . . . . 112 LEU CA . 50023 1 378 . 1 . 1 112 112 LEU CB C 13 42.789 0.000 . . . . . . . 112 LEU CB . 50023 1 379 . 1 . 1 112 112 LEU N N 15 120.883 0.000 . . . . . . . 112 LEU N . 50023 1 380 . 1 . 1 113 113 CYS H H 1 9.692 0.000 . . . . . . . 113 CYS HN . 50023 1 381 . 1 . 1 113 113 CYS CA C 13 58.244 0.000 . . . . . . . 113 CYS CA . 50023 1 382 . 1 . 1 113 113 CYS CB C 13 31.670 0.000 . . . . . . . 113 CYS CB . 50023 1 383 . 1 . 1 113 113 CYS N N 15 118.258 0.000 . . . . . . . 113 CYS N . 50023 1 384 . 1 . 1 114 114 LYS H H 1 8.478 0.000 . . . . . . . 114 LYS HN . 50023 1 385 . 1 . 1 114 114 LYS CA C 13 57.591 0.000 . . . . . . . 114 LYS CA . 50023 1 386 . 1 . 1 114 114 LYS CB C 13 34.684 0.000 . . . . . . . 114 LYS CB . 50023 1 387 . 1 . 1 114 114 LYS N N 15 120.414 0.000 . . . . . . . 114 LYS N . 50023 1 388 . 1 . 1 115 115 LEU H H 1 8.936 0.000 . . . . . . . 115 LEU HN . 50023 1 389 . 1 . 1 115 115 LEU CA C 13 58.462 0.000 . . . . . . . 115 LEU CA . 50023 1 390 . 1 . 1 115 115 LEU CB C 13 42.119 0.000 . . . . . . . 115 LEU CB . 50023 1 391 . 1 . 1 115 115 LEU N N 15 123.789 0.000 . . . . . . . 115 LEU N . 50023 1 392 . 1 . 1 116 116 ASN H H 1 7.473 0.000 . . . . . . . 116 ASN HN . 50023 1 393 . 1 . 1 116 116 ASN N N 15 114.508 0.000 . . . . . . . 116 ASN N . 50023 1 394 . 1 . 1 117 117 PRO CA C 13 65.495 0.000 . . . . . . . 117 PRO CA . 50023 1 395 . 1 . 1 117 117 PRO CB C 13 32.206 0.000 . . . . . . . 117 PRO CB . 50023 1 396 . 1 . 1 118 118 SER H H 1 7.860 0.000 . . . . . . . 118 SER HN . 50023 1 397 . 1 . 1 118 118 SER CA C 13 58.596 0.000 . . . . . . . 118 SER CA . 50023 1 398 . 1 . 1 118 118 SER CB C 13 63.687 0.000 . . . . . . . 118 SER CB . 50023 1 399 . 1 . 1 118 118 SER N N 15 108.883 0.000 . . . . . . . 118 SER N . 50023 1 400 . 1 . 1 119 119 ASP H H 1 7.827 0.000 . . . . . . . 119 ASP HN . 50023 1 401 . 1 . 1 119 119 ASP CA C 13 55.716 0.000 . . . . . . . 119 ASP CA . 50023 1 402 . 1 . 1 119 119 ASP CB C 13 40.913 0.000 . . . . . . . 119 ASP CB . 50023 1 403 . 1 . 1 119 119 ASP N N 15 124.258 0.000 . . . . . . . 119 ASP N . 50023 1 404 . 1 . 1 120 120 THR H H 1 8.478 0.000 . . . . . . . 120 THR HN . 50023 1 405 . 1 . 1 120 120 THR CA C 13 63.151 0.000 . . . . . . . 120 THR CA . 50023 1 406 . 1 . 1 120 120 THR CB C 13 69.648 0.000 . . . . . . . 120 THR CB . 50023 1 407 . 1 . 1 120 120 THR N N 15 112.633 0.000 . . . . . . . 120 THR N . 50023 1 408 . 1 . 1 121 121 ASP H H 1 8.029 0.000 . . . . . . . 121 ASP HN . 50023 1 409 . 1 . 1 121 121 ASP CA C 13 55.113 0.000 . . . . . . . 121 ASP CA . 50023 1 410 . 1 . 1 121 121 ASP CB C 13 41.583 0.000 . . . . . . . 121 ASP CB . 50023 1 411 . 1 . 1 121 121 ASP N N 15 122.851 0.000 . . . . . . . 121 ASP N . 50023 1 412 . 1 . 1 122 122 ALA H H 1 8.369 0.000 . . . . . . . 122 ALA HN . 50023 1 413 . 1 . 1 122 122 ALA CA C 13 52.568 0.000 . . . . . . . 122 ALA CA . 50023 1 414 . 1 . 1 122 122 ALA CB C 13 19.747 0.000 . . . . . . . 122 ALA CB . 50023 1 415 . 1 . 1 122 122 ALA N N 15 125.851 0.000 . . . . . . . 122 ALA N . 50023 1 416 . 1 . 1 123 123 VAL H H 1 8.027 0.000 . . . . . . . 123 VAL HN . 50023 1 417 . 1 . 1 123 123 VAL CA C 13 61.409 0.000 . . . . . . . 123 VAL CA . 50023 1 418 . 1 . 1 123 123 VAL CB C 13 34.617 0.000 . . . . . . . 123 VAL CB . 50023 1 419 . 1 . 1 123 123 VAL N N 15 117.039 0.000 . . . . . . . 123 VAL N . 50023 1 420 . 1 . 1 124 124 ARG H H 1 7.930 0.000 . . . . . . . 124 ARG HN . 50023 1 421 . 1 . 1 124 124 ARG CA C 13 55.850 0.000 . . . . . . . 124 ARG CA . 50023 1 422 . 1 . 1 124 124 ARG CB C 13 34.751 0.000 . . . . . . . 124 ARG CB . 50023 1 423 . 1 . 1 124 124 ARG N N 15 123.414 0.000 . . . . . . . 124 ARG N . 50023 1 424 . 1 . 1 125 125 GLY H H 1 8.290 0.000 . . . . . . . 125 GLY HN . 50023 1 425 . 1 . 1 125 125 GLY CA C 13 45.535 0.000 . . . . . . . 125 GLY CA . 50023 1 426 . 1 . 1 125 125 GLY N N 15 108.039 0.000 . . . . . . . 125 GLY N . 50023 1 427 . 1 . 1 126 126 GLN H H 1 8.401 0.000 . . . . . . . 126 GLN HN . 50023 1 428 . 1 . 1 126 126 GLN CA C 13 54.845 0.000 . . . . . . . 126 GLN CA . 50023 1 429 . 1 . 1 126 126 GLN CB C 13 34.818 0.000 . . . . . . . 126 GLN CB . 50023 1 430 . 1 . 1 126 126 GLN N N 15 114.695 0.000 . . . . . . . 126 GLN N . 50023 1 431 . 1 . 1 127 127 ILE H H 1 9.266 0.000 . . . . . . . 127 ILE HN . 50023 1 432 . 1 . 1 127 127 ILE CA C 13 51.798 7.603 . . . . . . . 127 ILE CA . 50023 1 433 . 1 . 1 127 127 ILE N N 15 117.977 0.000 . . . . . . . 127 ILE N . 50023 1 434 . 1 . 1 128 128 VAL H H 1 8.704 0.000 . . . . . . . 128 VAL HN . 50023 1 435 . 1 . 1 128 128 VAL CA C 13 61.677 0.000 . . . . . . . 128 VAL CA . 50023 1 436 . 1 . 1 128 128 VAL CB C 13 32.742 0.000 . . . . . . . 128 VAL CB . 50023 1 437 . 1 . 1 128 128 VAL N N 15 125.851 0.000 . . . . . . . 128 VAL N . 50023 1 438 . 1 . 1 129 129 VAL H H 1 8.705 0.000 . . . . . . . 129 VAL HN . 50023 1 439 . 1 . 1 129 129 VAL CA C 13 57.993 0.000 . . . . . . . 129 VAL CA . 50023 1 440 . 1 . 1 129 129 VAL CB C 13 36.961 0.000 . . . . . . . 129 VAL CB . 50023 1 441 . 1 . 1 129 129 VAL N N 15 118.070 0.000 . . . . . . . 129 VAL N . 50023 1 442 . 1 . 1 130 130 SER H H 1 8.819 0.000 . . . . . . . 130 SER HN . 50023 1 443 . 1 . 1 130 130 SER CA C 13 57.122 0.000 . . . . . . . 130 SER CA . 50023 1 444 . 1 . 1 130 130 SER CB C 13 66.634 0.000 . . . . . . . 130 SER CB . 50023 1 445 . 1 . 1 130 130 SER N N 15 113.289 0.000 . . . . . . . 130 SER N . 50023 1 446 . 1 . 1 131 131 LEU H H 1 9.696 0.000 . . . . . . . 131 LEU HN . 50023 1 447 . 1 . 1 131 131 LEU CA C 13 55.247 0.000 . . . . . . . 131 LEU CA . 50023 1 448 . 1 . 1 131 131 LEU CB C 13 45.200 0.000 . . . . . . . 131 LEU CB . 50023 1 449 . 1 . 1 131 131 LEU N N 15 125.195 0.000 . . . . . . . 131 LEU N . 50023 1 450 . 1 . 1 132 132 GLN H H 1 9.052 0.000 . . . . . . . 132 GLN HN . 50023 1 451 . 1 . 1 132 132 GLN CA C 13 54.041 0.000 . . . . . . . 132 GLN CA . 50023 1 452 . 1 . 1 132 132 GLN CB C 13 33.746 0.000 . . . . . . . 132 GLN CB . 50023 1 453 . 1 . 1 132 132 GLN N N 15 125.383 0.000 . . . . . . . 132 GLN N . 50023 1 454 . 1 . 1 133 133 THR H H 1 10.627 0.000 . . . . . . . 133 THR HN . 50023 1 455 . 1 . 1 133 133 THR CA C 13 65.495 0.000 . . . . . . . 133 THR CA . 50023 1 456 . 1 . 1 133 133 THR CB C 13 68.509 0.000 . . . . . . . 133 THR CB . 50023 1 457 . 1 . 1 133 133 THR N N 15 126.320 0.000 . . . . . . . 133 THR N . 50023 1 458 . 1 . 1 134 134 ARG H H 1 8.253 0.000 . . . . . . . 134 ARG HN . 50023 1 459 . 1 . 1 134 134 ARG CA C 13 54.242 0.000 . . . . . . . 134 ARG CA . 50023 1 460 . 1 . 1 134 134 ARG CB C 13 31.737 0.000 . . . . . . . 134 ARG CB . 50023 1 461 . 1 . 1 134 134 ARG N N 15 126.226 0.000 . . . . . . . 134 ARG N . 50023 1 stop_ save_