################################### # 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 19424 _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' . . . 19424 1 2 '3D CBCA(CO)NH' . . . 19424 1 3 '3D HNCACB' . . . 19424 1 4 '3D HN(CO)CA' . . . 19424 1 5 '3D HN(COCA)CB' . . . 19424 1 6 '3D HNCA' . . . 19424 1 7 '3D HNCO' . . . 19424 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 4 4 SER H H 1 8.221 0.040 . 1 . . . . 9 SER HN . 19424 1 2 . 1 1 4 4 SER N N 15 116.284 0.400 . 1 . . . . 9 SER N . 19424 1 3 . 1 1 5 5 GLU H H 1 8.508 0.040 . 1 . . . . 10 GLU HN . 19424 1 4 . 1 1 5 5 GLU CA C 13 56.046 0.400 . 1 . . . . 10 GLU CA . 19424 1 5 . 1 1 5 5 GLU CB C 13 29.241 0.400 . 1 . . . . 10 GLU CB . 19424 1 6 . 1 1 5 5 GLU N N 15 123.329 0.400 . 1 . . . . 10 GLU N . 19424 1 7 . 1 1 6 6 ILE H H 1 8.084 0.040 . 1 . . . . 11 ILE HN . 19424 1 8 . 1 1 6 6 ILE CA C 13 60.798 0.400 . 1 . . . . 11 ILE CA . 19424 1 9 . 1 1 6 6 ILE CB C 13 37.292 0.400 . 1 . . . . 11 ILE CB . 19424 1 10 . 1 1 6 6 ILE N N 15 123.28 0.400 . 1 . . . . 11 ILE N . 19424 1 11 . 1 1 7 7 GLN H H 1 8.272 0.040 . 1 . . . . 12 GLN HN . 19424 1 12 . 1 1 7 7 GLN CA C 13 54.442 0.400 . 1 . . . . 12 GLN CA . 19424 1 13 . 1 1 7 7 GLN CB C 13 29.588 0.400 . 1 . . . . 12 GLN CB . 19424 1 14 . 1 1 7 7 GLN N N 15 124.771 0.400 . 1 . . . . 12 GLN N . 19424 1 15 . 1 1 8 8 PHE H H 1 8.204 0.040 . 1 . . . . 13 PHE HN . 19424 1 16 . 1 1 8 8 PHE CA C 13 56.3 0.400 . 1 . . . . 13 PHE CA . 19424 1 17 . 1 1 8 8 PHE CB C 13 40.743 0.400 . 1 . . . . 13 PHE CB . 19424 1 18 . 1 1 8 8 PHE N N 15 121.789 0.400 . 1 . . . . 13 PHE N . 19424 1 19 . 1 1 9 9 LEU H H 1 8.508 0.040 . 1 . . . . 14 LEU HN . 19424 1 20 . 1 1 9 9 LEU CA C 13 54.179 0.400 . 1 . . . . 14 LEU CA . 19424 1 21 . 1 1 9 9 LEU CB C 13 42.487 0.400 . 1 . . . . 14 LEU CB . 19424 1 22 . 1 1 9 9 LEU N N 15 124.487 0.400 . 1 . . . . 14 LEU N . 19424 1 23 . 1 1 10 10 ARG H H 1 8.4 0.040 . 1 . . . . 15 ARG HN . 19424 1 24 . 1 1 10 10 ARG CA C 13 52.858 0.400 . 1 . . . . 15 ARG CA . 19424 1 25 . 1 1 10 10 ARG CB C 13 33.45 0.400 . 1 . . . . 15 ARG CB . 19424 1 26 . 1 1 10 10 ARG N N 15 121.672 0.400 . 1 . . . . 15 ARG N . 19424 1 27 . 1 1 11 11 THR H H 1 8.773 0.040 . 1 . . . . 16 THR HN . 19424 1 28 . 1 1 11 11 THR CA C 13 61.593 0.400 . 1 . . . . 16 THR CA . 19424 1 29 . 1 1 11 11 THR CB C 13 69.839 0.400 . 1 . . . . 16 THR CB . 19424 1 30 . 1 1 11 11 THR N N 15 110.205 0.400 . 1 . . . . 16 THR N . 19424 1 31 . 1 1 12 12 ASP H H 1 8.876 0.040 . 1 . . . . 17 ASP HN . 19424 1 32 . 1 1 12 12 ASP CA C 13 57.082 0.400 . 1 . . . . 17 ASP CA . 19424 1 33 . 1 1 12 12 ASP CB C 13 39.475 0.400 . 1 . . . . 17 ASP CB . 19424 1 34 . 1 1 12 12 ASP N N 15 113.216 0.400 . 1 . . . . 17 ASP N . 19424 1 35 . 1 1 13 13 ASP H H 1 7.734 0.040 . 1 . . . . 18 ASP HN . 19424 1 36 . 1 1 13 13 ASP CA C 13 53.146 0.400 . 1 . . . . 18 ASP CA . 19424 1 37 . 1 1 13 13 ASP CB C 13 41.407 0.400 . 1 . . . . 18 ASP CB . 19424 1 38 . 1 1 13 13 ASP N N 15 120.607 0.400 . 1 . . . . 18 ASP N . 19424 1 39 . 1 1 14 14 GLU H H 1 8.921 0.040 . 1 . . . . 19 GLU HN . 19424 1 40 . 1 1 14 14 GLU CA C 13 56.85 0.400 . 1 . . . . 19 GLU CA . 19424 1 41 . 1 1 14 14 GLU CB C 13 30.181 0.400 . 1 . . . . 19 GLU CB . 19424 1 42 . 1 1 14 14 GLU N N 15 123.896 0.400 . 1 . . . . 19 GLU N . 19424 1 43 . 1 1 15 15 VAL H H 1 9.665 0.040 . 1 . . . . 20 VAL HN . 19424 1 44 . 1 1 15 15 VAL CA C 13 58.672 0.400 . 1 . . . . 20 VAL CA . 19424 1 45 . 1 1 15 15 VAL CB C 13 36.343 0.400 . 1 . . . . 20 VAL CB . 19424 1 46 . 1 1 15 15 VAL N N 15 118.971 0.400 . 1 . . . . 20 VAL N . 19424 1 47 . 1 1 16 16 VAL H H 1 8.306 0.040 . 1 . . . . 21 VAL HN . 19424 1 48 . 1 1 16 16 VAL CA C 13 59.474 0.400 . 1 . . . . 21 VAL CA . 19424 1 49 . 1 1 16 16 VAL CB C 13 33.732 0.400 . 1 . . . . 21 VAL CB . 19424 1 50 . 1 1 16 16 VAL N N 15 115.313 0.400 . 1 . . . . 21 VAL N . 19424 1 51 . 1 1 17 17 LEU H H 1 10.174 0.040 . 1 . . . . 22 LEU HN . 19424 1 52 . 1 1 17 17 LEU CA C 13 54.97 0.400 . 1 . . . . 22 LEU CA . 19424 1 53 . 1 1 17 17 LEU CB C 13 42.214 0.400 . 1 . . . . 22 LEU CB . 19424 1 54 . 1 1 17 17 LEU N N 15 127.998 0.400 . 1 . . . . 22 LEU N . 19424 1 55 . 1 1 18 18 GLN H H 1 8.984 0.040 . 1 . . . . 23 GLN HN . 19424 1 56 . 1 1 18 18 GLN CA C 13 52.832 0.400 . 1 . . . . 23 GLN CA . 19424 1 57 . 1 1 18 18 GLN CB C 13 32.905 0.400 . 1 . . . . 23 GLN CB . 19424 1 58 . 1 1 18 18 GLN N N 15 120.15 0.400 . 1 . . . . 23 GLN N . 19424 1 59 . 1 1 19 19 CYS H H 1 8.966 0.040 . 1 . . . . 24 CYS HN . 19424 1 60 . 1 1 19 19 CYS CA C 13 54.448 0.400 . 1 . . . . 24 CYS CA . 19424 1 61 . 1 1 19 19 CYS CB C 13 29.628 0.400 . 1 . . . . 24 CYS CB . 19424 1 62 . 1 1 19 19 CYS N N 15 118.511 0.400 . 1 . . . . 24 CYS N . 19424 1 63 . 1 1 20 20 THR H H 1 8.495 0.040 . 1 . . . . 25 THR HN . 19424 1 64 . 1 1 20 20 THR CA C 13 61.347 0.400 . 1 . . . . 25 THR CA . 19424 1 65 . 1 1 20 20 THR CB C 13 69.297 0.400 . 1 . . . . 25 THR CB . 19424 1 66 . 1 1 20 20 THR N N 15 116.267 0.400 . 1 . . . . 25 THR N . 19424 1 67 . 1 1 21 21 ALA H H 1 8.598 0.040 . 1 . . . . 26 ALA HN . 19424 1 68 . 1 1 21 21 ALA CA C 13 49.871 0.400 . 1 . . . . 26 ALA CA . 19424 1 69 . 1 1 21 21 ALA CB C 13 20.573 0.400 . 1 . . . . 26 ALA CB . 19424 1 70 . 1 1 21 21 ALA N N 15 130.119 0.400 . 1 . . . . 26 ALA N . 19424 1 71 . 1 1 22 22 THR H H 1 8.045 0.040 . 1 . . . . 27 THR HN . 19424 1 72 . 1 1 22 22 THR CA C 13 61.347 0.400 . 1 . . . . 27 THR CA . 19424 1 73 . 1 1 22 22 THR CB C 13 68.996 0.400 . 1 . . . . 27 THR CB . 19424 1 74 . 1 1 22 22 THR N N 15 117.088 0.400 . 1 . . . . 27 THR N . 19424 1 75 . 1 1 23 23 ILE H H 1 8.521 0.040 . 1 . . . . 28 ILE HN . 19424 1 76 . 1 1 23 23 ILE CA C 13 60.056 0.400 . 1 . . . . 28 ILE CA . 19424 1 77 . 1 1 23 23 ILE CB C 13 38.908 0.400 . 1 . . . . 28 ILE CB . 19424 1 78 . 1 1 23 23 ILE N N 15 126.822 0.400 . 1 . . . . 28 ILE N . 19424 1 79 . 1 1 27 27 GLN H H 1 8.628 0.040 . 1 . . . . 32 GLN HN . 19424 1 80 . 1 1 27 27 GLN CA C 13 54.967 0.400 . 1 . . . . 32 GLN CA . 19424 1 81 . 1 1 27 27 GLN CB C 13 29.474 0.400 . 1 . . . . 32 GLN CB . 19424 1 82 . 1 1 27 27 GLN N N 15 122.92 0.400 . 1 . . . . 32 GLN N . 19424 1 83 . 1 1 28 28 GLN H H 1 8.801 0.040 . 1 . . . . 33 GLN HN . 19424 1 84 . 1 1 28 28 GLN CA C 13 53.92 0.400 . 1 . . . . 33 GLN CA . 19424 1 85 . 1 1 28 28 GLN CB C 13 31.249 0.400 . 1 . . . . 33 GLN CB . 19424 1 86 . 1 1 28 28 GLN N N 15 123.314 0.400 . 1 . . . . 33 GLN N . 19424 1 87 . 1 1 29 29 LYS H H 1 8.45 0.040 . 1 . . . . 34 LYS HN . 19424 1 88 . 1 1 29 29 LYS CA C 13 54.73 0.400 . 1 . . . . 34 LYS CA . 19424 1 89 . 1 1 29 29 LYS CB C 13 32.078 0.400 . 1 . . . . 34 LYS CB . 19424 1 90 . 1 1 29 29 LYS N N 15 123.434 0.400 . 1 . . . . 34 LYS N . 19424 1 91 . 1 1 30 30 LEU H H 1 8.743 0.040 . 1 . . . . 35 LEU HN . 19424 1 92 . 1 1 30 30 LEU CA C 13 52.342 0.400 . 1 . . . . 35 LEU CA . 19424 1 93 . 1 1 30 30 LEU CB C 13 44.222 0.400 . 1 . . . . 35 LEU CB . 19424 1 94 . 1 1 30 30 LEU N N 15 125.302 0.400 . 1 . . . . 35 LEU N . 19424 1 95 . 1 1 31 31 CYS H H 1 8.775 0.040 . 1 . . . . 36 CYS HN . 19424 1 96 . 1 1 31 31 CYS CA C 13 55.494 0.400 . 1 . . . . 36 CYS CA . 19424 1 97 . 1 1 31 31 CYS CB C 13 29.011 0.400 . 1 . . . . 36 CYS CB . 19424 1 98 . 1 1 31 31 CYS N N 15 117.571 0.400 . 1 . . . . 36 CYS N . 19424 1 99 . 1 1 32 32 LEU H H 1 8.183 0.040 . 1 . . . . 37 LEU HN . 19424 1 100 . 1 1 32 32 LEU CA C 13 55.593 0.400 . 1 . . . . 37 LEU CA . 19424 1 101 . 1 1 32 32 LEU CB C 13 41.822 0.400 . 1 . . . . 37 LEU CB . 19424 1 102 . 1 1 32 32 LEU N N 15 125.068 0.400 . 1 . . . . 37 LEU N . 19424 1 103 . 1 1 33 33 ALA H H 1 8.611 0.040 . 1 . . . . 38 ALA HN . 19424 1 104 . 1 1 33 33 ALA CA C 13 49.91 0.400 . 1 . . . . 38 ALA CA . 19424 1 105 . 1 1 33 33 ALA CB C 13 23.416 0.400 . 1 . . . . 38 ALA CB . 19424 1 106 . 1 1 33 33 ALA N N 15 126.477 0.400 . 1 . . . . 38 ALA N . 19424 1 107 . 1 1 34 34 ALA H H 1 7.206 0.040 . 1 . . . . 39 ALA HN . 19424 1 108 . 1 1 34 34 ALA CA C 13 51.099 0.400 . 1 . . . . 39 ALA CA . 19424 1 109 . 1 1 34 34 ALA CB C 13 20.877 0.400 . 1 . . . . 39 ALA CB . 19424 1 110 . 1 1 34 34 ALA N N 15 115.701 0.400 . 1 . . . . 39 ALA N . 19424 1 111 . 1 1 35 35 GLU H H 1 8.451 0.040 . 1 . . . . 40 GLU HN . 19424 1 112 . 1 1 35 35 GLU CA C 13 55.106 0.400 . 1 . . . . 40 GLU CA . 19424 1 113 . 1 1 35 35 GLU CB C 13 31.403 0.400 . 1 . . . . 40 GLU CB . 19424 1 114 . 1 1 35 35 GLU N N 15 119.551 0.400 . 1 . . . . 40 GLU N . 19424 1 115 . 1 1 36 36 GLY H H 1 8.506 0.040 . 1 . . . . 41 GLY HN . 19424 1 116 . 1 1 36 36 GLY CA C 13 45.014 0.400 . 1 . . . . 41 GLY CA . 19424 1 117 . 1 1 36 36 GLY N N 15 108.681 0.400 . 1 . . . . 41 GLY N . 19424 1 118 . 1 1 38 38 GLY H H 1 8.588 0.040 . 1 . . . . 43 GLY HN . 19424 1 119 . 1 1 38 38 GLY CA C 13 44.747 0.400 . 1 . . . . 43 GLY CA . 19424 1 120 . 1 1 38 38 GLY N N 15 109.736 0.400 . 1 . . . . 43 GLY N . 19424 1 121 . 1 1 39 39 ASN H H 1 7.949 0.040 . 1 . . . . 44 ASN HN . 19424 1 122 . 1 1 39 39 ASN CA C 13 53.91 0.400 . 1 . . . . 44 ASN CA . 19424 1 123 . 1 1 39 39 ASN CB C 13 37.574 0.400 . 1 . . . . 44 ASN CB . 19424 1 124 . 1 1 39 39 ASN N N 15 116.518 0.400 . 1 . . . . 44 ASN N . 19424 1 125 . 1 1 40 40 ARG H H 1 7.699 0.040 . 1 . . . . 45 ARG HN . 19424 1 126 . 1 1 40 40 ARG CA C 13 55.504 0.400 . 1 . . . . 45 ARG CA . 19424 1 127 . 1 1 40 40 ARG CB C 13 30.457 0.400 . 1 . . . . 45 ARG CB . 19424 1 128 . 1 1 40 40 ARG N N 15 118.291 0.400 . 1 . . . . 45 ARG N . 19424 1 129 . 1 1 41 41 LEU H H 1 8.635 0.040 . 1 . . . . 46 LEU HN . 19424 1 130 . 1 1 41 41 LEU CA C 13 54.432 0.400 . 1 . . . . 46 LEU CA . 19424 1 131 . 1 1 41 41 LEU CB C 13 41.67 0.400 . 1 . . . . 46 LEU CB . 19424 1 132 . 1 1 41 41 LEU N N 15 125.664 0.400 . 1 . . . . 46 LEU N . 19424 1 133 . 1 1 43 43 PHE H H 1 8.704 0.040 . 1 . . . . 48 PHE HN . 19424 1 134 . 1 1 43 43 PHE CA C 13 56.706 0.400 . 1 . . . . 48 PHE CA . 19424 1 135 . 1 1 43 43 PHE CB C 13 41.977 0.400 . 1 . . . . 48 PHE CB . 19424 1 136 . 1 1 43 43 PHE N N 15 115.34 0.400 . 1 . . . . 48 PHE N . 19424 1 137 . 1 1 44 44 LEU H H 1 9.042 0.040 . 1 . . . . 49 LEU HN . 19424 1 138 . 1 1 44 44 LEU CA C 13 52.675 0.400 . 1 . . . . 49 LEU CA . 19424 1 139 . 1 1 44 44 LEU CB C 13 43.015 0.400 . 1 . . . . 49 LEU CB . 19424 1 140 . 1 1 44 44 LEU N N 15 122.39 0.400 . 1 . . . . 49 LEU N . 19424 1 141 . 1 1 45 45 GLU H H 1 8.883 0.040 . 1 . . . . 50 GLU HN . 19424 1 142 . 1 1 45 45 GLU CA C 13 56.573 0.400 . 1 . . . . 50 GLU CA . 19424 1 143 . 1 1 45 45 GLU CB C 13 29.365 0.400 . 1 . . . . 50 GLU CB . 19424 1 144 . 1 1 45 45 GLU N N 15 122.728 0.400 . 1 . . . . 50 GLU N . 19424 1 145 . 1 1 46 46 SER H H 1 8.432 0.040 . 1 . . . . 51 SER HN . 19424 1 146 . 1 1 46 46 SER CA C 13 58.559 0.400 . 1 . . . . 51 SER CA . 19424 1 147 . 1 1 46 46 SER CB C 13 62.991 0.400 . 1 . . . . 51 SER CB . 19424 1 148 . 1 1 46 46 SER N N 15 118.97 0.400 . 1 . . . . 51 SER N . 19424 1 149 . 1 1 58 58 TRP H H 1 9.359 0.040 . 1 . . . . 98 TRP HN . 19424 1 150 . 1 1 58 58 TRP CA C 13 55.283 0.400 . 1 . . . . 98 TRP CA . 19424 1 151 . 1 1 58 58 TRP CB C 13 32.91 0.400 . 1 . . . . 98 TRP CB . 19424 1 152 . 1 1 58 58 TRP N N 15 123.787 0.400 . 1 . . . . 98 TRP N . 19424 1 153 . 1 1 59 59 LYS H H 1 7.568 0.040 . 1 . . . . 99 LYS HN . 19424 1 154 . 1 1 59 59 LYS CA C 13 55.698 0.400 . 1 . . . . 99 LYS CA . 19424 1 155 . 1 1 59 59 LYS CB C 13 37.192 0.400 . 1 . . . . 99 LYS CB . 19424 1 156 . 1 1 59 59 LYS N N 15 115.631 0.400 . 1 . . . . 99 LYS N . 19424 1 157 . 1 1 60 60 PHE H H 1 9.68 0.040 . 1 . . . . 100 PHE HN . 19424 1 158 . 1 1 60 60 PHE CA C 13 56.839 0.400 . 1 . . . . 100 PHE CA . 19424 1 159 . 1 1 60 60 PHE CB C 13 39.722 0.400 . 1 . . . . 100 PHE CB . 19424 1 160 . 1 1 60 60 PHE N N 15 122.258 0.400 . 1 . . . . 100 PHE N . 19424 1 161 . 1 1 61 61 MET H H 1 9.334 0.040 . 1 . . . . 101 MET HN . 19424 1 162 . 1 1 61 61 MET CA C 13 53.902 0.400 . 1 . . . . 101 MET CA . 19424 1 163 . 1 1 61 61 MET CB C 13 37.014 0.400 . 1 . . . . 101 MET CB . 19424 1 164 . 1 1 61 61 MET N N 15 119.561 0.400 . 1 . . . . 101 MET N . 19424 1 165 . 1 1 62 62 MET H H 1 8.743 0.040 . 1 . . . . 102 MET HN . 19424 1 166 . 1 1 62 62 MET CA C 13 54.958 0.400 . 1 . . . . 102 MET CA . 19424 1 167 . 1 1 62 62 MET CB C 13 35.373 0.400 . 1 . . . . 102 MET CB . 19424 1 168 . 1 1 62 62 MET N N 15 118.169 0.400 . 1 . . . . 102 MET N . 19424 1 169 . 1 1 63 63 LYS H H 1 8.578 0.040 . 1 . . . . 103 LYS HN . 19424 1 170 . 1 1 63 63 LYS CA C 13 55.23 0.400 . 1 . . . . 103 LYS CA . 19424 1 171 . 1 1 63 63 LYS CB C 13 32.334 0.400 . 1 . . . . 103 LYS CB . 19424 1 172 . 1 1 63 63 LYS N N 15 120.147 0.400 . 1 . . . . 103 LYS N . 19424 1 173 . 1 1 64 64 THR H H 1 8.197 0.040 . 1 . . . . 104 THR HN . 19424 1 174 . 1 1 64 64 THR CA C 13 61.611 0.400 . 1 . . . . 104 THR CA . 19424 1 175 . 1 1 64 64 THR CB C 13 69.279 0.400 . 1 . . . . 104 THR CB . 19424 1 176 . 1 1 64 64 THR N N 15 114.637 0.400 . 1 . . . . 104 THR N . 19424 1 177 . 1 1 65 65 ALA H H 1 8.244 0.040 . 1 . . . . 105 ALA HN . 19424 1 178 . 1 1 65 65 ALA CA C 13 52.034 0.400 . 1 . . . . 105 ALA CA . 19424 1 179 . 1 1 65 65 ALA CB C 13 18.685 0.400 . 1 . . . . 105 ALA CB . 19424 1 180 . 1 1 65 65 ALA N N 15 126.009 0.400 . 1 . . . . 105 ALA N . 19424 1 181 . 1 1 66 66 GLN H H 1 8.359 0.040 . 1 . . . . 106 GLN HN . 19424 1 182 . 1 1 66 66 GLN CA C 13 56.029 0.400 . 1 . . . . 106 GLN CA . 19424 1 183 . 1 1 66 66 GLN CB C 13 28.534 0.400 . 1 . . . . 106 GLN CB . 19424 1 184 . 1 1 66 66 GLN N N 15 119.622 0.400 . 1 . . . . 106 GLN N . 19424 1 185 . 1 1 68 68 GLY H H 1 8.343 0.040 . 1 . . . . 108 GLY HN . 19424 1 186 . 1 1 68 68 GLY CA C 13 44.742 0.400 . 1 . . . . 108 GLY CA . 19424 1 187 . 1 1 68 68 GLY N N 15 109.598 0.400 . 1 . . . . 108 GLY N . 19424 1 188 . 1 1 69 69 GLY H H 1 8.274 0.040 . 1 . . . . 109 GLY HN . 19424 1 189 . 1 1 69 69 GLY CA C 13 44.208 0.400 . 1 . . . . 109 GLY CA . 19424 1 190 . 1 1 69 69 GLY N N 15 109.295 0.400 . 1 . . . . 109 GLY N . 19424 1 191 . 1 1 70 70 HIS H H 1 8.561 0.040 . 1 . . . . 110 HIS HN . 19424 1 192 . 1 1 70 70 HIS CA C 13 55.475 0.400 . 1 . . . . 110 HIS CA . 19424 1 193 . 1 1 70 70 HIS CB C 13 27.853 0.400 . 1 . . . . 110 HIS CB . 19424 1 194 . 1 1 70 70 HIS N N 15 119.39 0.400 . 1 . . . . 110 HIS N . 19424 1 195 . 1 1 71 71 ARG H H 1 8.431 0.040 . 1 . . . . 111 ARG HN . 19424 1 196 . 1 1 71 71 ARG CA C 13 54.485 0.400 . 1 . . . . 111 ARG CA . 19424 1 197 . 1 1 71 71 ARG CB C 13 31.017 0.400 . 1 . . . . 111 ARG CB . 19424 1 198 . 1 1 71 71 ARG N N 15 122.002 0.400 . 1 . . . . 111 ARG N . 19424 1 199 . 1 1 72 72 THR H H 1 8.598 0.040 . 1 . . . . 112 THR HN . 19424 1 200 . 1 1 72 72 THR CA C 13 63.799 0.400 . 1 . . . . 112 THR CA . 19424 1 201 . 1 1 72 72 THR CB C 13 68.468 0.400 . 1 . . . . 112 THR CB . 19424 1 202 . 1 1 72 72 THR N N 15 120.612 0.400 . 1 . . . . 112 THR N . 19424 1 203 . 1 1 73 73 LEU H H 1 8.534 0.040 . 1 . . . . 113 LEU HN . 19424 1 204 . 1 1 73 73 LEU CA C 13 54.431 0.400 . 1 . . . . 113 LEU CA . 19424 1 205 . 1 1 73 73 LEU CB C 13 41.388 0.400 . 1 . . . . 113 LEU CB . 19424 1 206 . 1 1 73 73 LEU N N 15 128.579 0.400 . 1 . . . . 113 LEU N . 19424 1 207 . 1 1 74 74 LEU H H 1 8.05 0.040 . 1 . . . . 114 LEU HN . 19424 1 208 . 1 1 74 74 LEU CA C 13 51.351 0.400 . 1 . . . . 114 LEU CA . 19424 1 209 . 1 1 74 74 LEU CB C 13 42.765 0.400 . 1 . . . . 114 LEU CB . 19424 1 210 . 1 1 74 74 LEU N N 15 120.278 0.400 . 1 . . . . 114 LEU N . 19424 1 211 . 1 1 75 75 TYR H H 1 8.672 0.040 . 1 . . . . 115 TYR HN . 19424 1 212 . 1 1 75 75 TYR CA C 13 54.535 0.400 . 1 . . . . 115 TYR CA . 19424 1 213 . 1 1 75 75 TYR CB C 13 37.192 0.400 . 1 . . . . 115 TYR CB . 19424 1 214 . 1 1 75 75 TYR N N 15 119.43 0.400 . 1 . . . . 115 TYR N . 19424 1 215 . 1 1 76 76 GLY H H 1 9.734 0.040 . 1 . . . . 116 GLY HN . 19424 1 216 . 1 1 76 76 GLY CA C 13 44.606 0.400 . 1 . . . . 116 GLY CA . 19424 1 217 . 1 1 76 76 GLY N N 15 114.762 0.400 . 1 . . . . 116 GLY N . 19424 1 218 . 1 1 77 77 HIS H H 1 7.918 0.040 . 1 . . . . 117 HIS HN . 19424 1 219 . 1 1 77 77 HIS CA C 13 55.77 0.400 . 1 . . . . 117 HIS CA . 19424 1 220 . 1 1 77 77 HIS CB C 13 32.072 0.400 . 1 . . . . 117 HIS CB . 19424 1 221 . 1 1 77 77 HIS N N 15 121.556 0.400 . 1 . . . . 117 HIS N . 19424 1 222 . 1 1 78 78 ALA H H 1 8.4 0.040 . 1 . . . . 118 ALA HN . 19424 1 223 . 1 1 78 78 ALA CA C 13 50.71 0.400 . 1 . . . . 118 ALA CA . 19424 1 224 . 1 1 78 78 ALA CB C 13 18.926 0.400 . 1 . . . . 118 ALA CB . 19424 1 225 . 1 1 78 78 ALA N N 15 124.487 0.400 . 1 . . . . 118 ALA N . 19424 1 226 . 1 1 79 79 ILE H H 1 10.11 0.040 . 1 . . . . 119 ILE HN . 19424 1 227 . 1 1 79 79 ILE CA C 13 57.987 0.400 . 1 . . . . 119 ILE CA . 19424 1 228 . 1 1 79 79 ILE CB C 13 43.366 0.400 . 1 . . . . 119 ILE CB . 19424 1 229 . 1 1 79 79 ILE N N 15 117.447 0.400 . 1 . . . . 119 ILE N . 19424 1 230 . 1 1 80 80 LEU H H 1 8.737 0.040 . 1 . . . . 120 LEU HN . 19424 1 231 . 1 1 80 80 LEU CA C 13 52.654 0.400 . 1 . . . . 120 LEU CA . 19424 1 232 . 1 1 80 80 LEU CB C 13 44.121 0.400 . 1 . . . . 120 LEU CB . 19424 1 233 . 1 1 80 80 LEU N N 15 120.146 0.400 . 1 . . . . 120 LEU N . 19424 1 234 . 1 1 81 81 LEU H H 1 10.158 0.040 . 1 . . . . 121 LEU HN . 19424 1 235 . 1 1 81 81 LEU CA C 13 53.845 0.400 . 1 . . . . 121 LEU CA . 19424 1 236 . 1 1 81 81 LEU CB C 13 43.291 0.400 . 1 . . . . 121 LEU CB . 19424 1 237 . 1 1 81 81 LEU N N 15 126.026 0.400 . 1 . . . . 121 LEU N . 19424 1 238 . 1 1 82 82 ARG H H 1 9.168 0.040 . 1 . . . . 122 ARG HN . 19424 1 239 . 1 1 82 82 ARG CA C 13 54.162 0.400 . 1 . . . . 122 ARG CA . 19424 1 240 . 1 1 82 82 ARG CB C 13 31.944 0.400 . 1 . . . . 122 ARG CB . 19424 1 241 . 1 1 82 82 ARG N N 15 123.605 0.400 . 1 . . . . 122 ARG N . 19424 1 242 . 1 1 83 83 HIS H H 1 9.524 0.040 . 1 . . . . 123 HIS HN . 19424 1 243 . 1 1 83 83 HIS CA C 13 55.498 0.400 . 1 . . . . 123 HIS CA . 19424 1 244 . 1 1 83 83 HIS CB C 13 31.002 0.400 . 1 . . . . 123 HIS CB . 19424 1 245 . 1 1 83 83 HIS N N 15 134.794 0.400 . 1 . . . . 123 HIS N . 19424 1 246 . 1 1 84 84 SER H H 1 8.102 0.040 . 1 . . . . 124 SER HN . 19424 1 247 . 1 1 84 84 SER CA C 13 61.59 0.400 . 1 . . . . 124 SER CA . 19424 1 248 . 1 1 84 84 SER CB C 13 62.351 0.400 . 1 . . . . 124 SER CB . 19424 1 249 . 1 1 84 84 SER N N 15 128.119 0.400 . 1 . . . . 124 SER N . 19424 1 250 . 1 1 85 85 TYR H H 1 9.329 0.040 . 1 . . . . 125 TYR HN . 19424 1 251 . 1 1 85 85 TYR CA C 13 60.02 0.400 . 1 . . . . 125 TYR CA . 19424 1 252 . 1 1 85 85 TYR CB C 13 37.5 0.400 . 1 . . . . 125 TYR CB . 19424 1 253 . 1 1 85 85 TYR N N 15 122.259 0.400 . 1 . . . . 125 TYR N . 19424 1 254 . 1 1 86 86 SER H H 1 6.906 0.040 . 1 . . . . 126 SER HN . 19424 1 255 . 1 1 86 86 SER CA C 13 58.445 0.400 . 1 . . . . 126 SER CA . 19424 1 256 . 1 1 86 86 SER CB C 13 64.744 0.400 . 1 . . . . 126 SER CB . 19424 1 257 . 1 1 86 86 SER N N 15 110.298 0.400 . 1 . . . . 126 SER N . 19424 1 258 . 1 1 87 87 GLY H H 1 8.032 0.040 . 1 . . . . 127 GLY HN . 19424 1 259 . 1 1 87 87 GLY CA C 13 45.404 0.400 . 1 . . . . 127 GLY CA . 19424 1 260 . 1 1 87 87 GLY N N 15 113.693 0.400 . 1 . . . . 127 GLY N . 19424 1 261 . 1 1 88 88 MET H H 1 7.426 0.040 . 1 . . . . 128 MET HN . 19424 1 262 . 1 1 88 88 MET CA C 13 54.969 0.400 . 1 . . . . 128 MET CA . 19424 1 263 . 1 1 88 88 MET CB C 13 35.185 0.400 . 1 . . . . 128 MET CB . 19424 1 264 . 1 1 88 88 MET N N 15 118.842 0.400 . 1 . . . . 128 MET N . 19424 1 265 . 1 1 89 89 TYR H H 1 8.883 0.040 . 1 . . . . 129 TYR HN . 19424 1 266 . 1 1 89 89 TYR CA C 13 57.654 0.400 . 1 . . . . 129 TYR CA . 19424 1 267 . 1 1 89 89 TYR CB C 13 39.198 0.400 . 1 . . . . 129 TYR CB . 19424 1 268 . 1 1 89 89 TYR N N 15 116.986 0.400 . 1 . . . . 129 TYR N . 19424 1 269 . 1 1 90 90 LEU H H 1 8.809 0.040 . 1 . . . . 130 LEU HN . 19424 1 270 . 1 1 90 90 LEU CA C 13 55.768 0.400 . 1 . . . . 130 LEU CA . 19424 1 271 . 1 1 90 90 LEU CB C 13 43.319 0.400 . 1 . . . . 130 LEU CB . 19424 1 272 . 1 1 90 90 LEU N N 15 124.491 0.400 . 1 . . . . 130 LEU N . 19424 1 273 . 1 1 91 91 CYS H H 1 9.608 0.040 . 1 . . . . 131 CYS HN . 19424 1 274 . 1 1 91 91 CYS CA C 13 56.022 0.400 . 1 . . . . 131 CYS CA . 19424 1 275 . 1 1 91 91 CYS CB C 13 31.789 0.400 . 1 . . . . 131 CYS CB . 19424 1 276 . 1 1 91 91 CYS N N 15 127.07 0.400 . 1 . . . . 131 CYS N . 19424 1 277 . 1 1 92 92 CYS H H 1 8.197 0.040 . 1 . . . . 132 CYS HN . 19424 1 278 . 1 1 92 92 CYS CA C 13 58.687 0.400 . 1 . . . . 132 CYS CA . 19424 1 279 . 1 1 92 92 CYS CB C 13 26.773 0.400 . 1 . . . . 132 CYS CB . 19424 1 280 . 1 1 92 92 CYS N N 15 124.952 0.400 . 1 . . . . 132 CYS N . 19424 1 281 . 1 1 93 93 LEU H H 1 9.001 0.040 . 1 . . . . 133 LEU HN . 19424 1 282 . 1 1 93 93 LEU CA C 13 54.167 0.400 . 1 . . . . 133 LEU CA . 19424 1 283 . 1 1 93 93 LEU CB C 13 41.106 0.400 . 1 . . . . 133 LEU CB . 19424 1 284 . 1 1 93 93 LEU N N 15 131.3 0.400 . 1 . . . . 133 LEU N . 19424 1 285 . 1 1 94 94 SER H H 1 8.21 0.040 . 1 . . . . 134 SER HN . 19424 1 286 . 1 1 94 94 SER CA C 13 57.633 0.400 . 1 . . . . 134 SER CA . 19424 1 287 . 1 1 94 94 SER CB C 13 63.017 0.400 . 1 . . . . 134 SER CB . 19424 1 288 . 1 1 94 94 SER N N 15 112.059 0.400 . 1 . . . . 134 SER N . 19424 1 289 . 1 1 95 95 THR H H 1 7.294 0.040 . 1 . . . . 135 THR HN . 19424 1 290 . 1 1 95 95 THR CA C 13 60.023 0.400 . 1 . . . . 135 THR CA . 19424 1 291 . 1 1 95 95 THR CB C 13 70.308 0.400 . 1 . . . . 135 THR CB . 19424 1 292 . 1 1 95 95 THR N N 15 111.816 0.400 . 1 . . . . 135 THR N . 19424 1 293 . 1 1 96 96 SER H H 1 8.559 0.040 . 1 . . . . 136 SER HN . 19424 1 294 . 1 1 96 96 SER CA C 13 56.957 0.400 . 1 . . . . 136 SER CA . 19424 1 295 . 1 1 96 96 SER CB C 13 64.068 0.400 . 1 . . . . 136 SER CB . 19424 1 296 . 1 1 96 96 SER N N 15 117.33 0.400 . 1 . . . . 136 SER N . 19424 1 297 . 1 1 97 97 ARG H H 1 9.257 0.040 . 1 . . . . 137 ARG HN . 19424 1 298 . 1 1 97 97 ARG CA C 13 56.301 0.400 . 1 . . . . 137 ARG CA . 19424 1 299 . 1 1 97 97 ARG CB C 13 29.904 0.400 . 1 . . . . 137 ARG CB . 19424 1 300 . 1 1 97 97 ARG N N 15 124.955 0.400 . 1 . . . . 137 ARG N . 19424 1 301 . 1 1 98 98 SER H H 1 8.677 0.040 . 1 . . . . 138 SER HN . 19424 1 302 . 1 1 98 98 SER CA C 13 58.417 0.400 . 1 . . . . 138 SER CA . 19424 1 303 . 1 1 98 98 SER CB C 13 63.277 0.400 . 1 . . . . 138 SER CB . 19424 1 304 . 1 1 98 98 SER N N 15 116.328 0.400 . 1 . . . . 138 SER N . 19424 1 305 . 1 1 103 103 LEU H H 1 8.242 0.040 . 1 . . . . 143 LEU HN . 19424 1 306 . 1 1 103 103 LEU N N 15 119.564 0.400 . 1 . . . . 143 LEU N . 19424 1 307 . 1 1 104 104 ALA H H 1 7.607 0.040 . 1 . . . . 144 ALA HN . 19424 1 308 . 1 1 104 104 ALA CA C 13 50.693 0.400 . 1 . . . . 144 ALA CA . 19424 1 309 . 1 1 104 104 ALA CB C 13 20.136 0.400 . 1 . . . . 144 ALA CB . 19424 1 310 . 1 1 104 104 ALA N N 15 123.998 0.400 . 1 . . . . 144 ALA N . 19424 1 311 . 1 1 105 105 PHE H H 1 8.654 0.040 . 1 . . . . 145 PHE HN . 19424 1 312 . 1 1 105 105 PHE CA C 13 55.238 0.400 . 1 . . . . 145 PHE CA . 19424 1 313 . 1 1 105 105 PHE CB C 13 41.591 0.400 . 1 . . . . 145 PHE CB . 19424 1 314 . 1 1 105 105 PHE N N 15 120.271 0.400 . 1 . . . . 145 PHE N . 19424 1 315 . 1 1 106 106 ASP H H 1 8.666 0.040 . 1 . . . . 146 ASP HN . 19424 1 316 . 1 1 106 106 ASP CA C 13 53.905 0.400 . 1 . . . . 146 ASP CA . 19424 1 317 . 1 1 106 106 ASP CB C 13 41.896 0.400 . 1 . . . . 146 ASP CB . 19424 1 318 . 1 1 106 106 ASP N N 15 119.794 0.400 . 1 . . . . 146 ASP N . 19424 1 319 . 1 1 107 107 VAL H H 1 8.363 0.040 . 1 . . . . 147 VAL HN . 19424 1 320 . 1 1 107 107 VAL CA C 13 59.73 0.400 . 1 . . . . 147 VAL CA . 19424 1 321 . 1 1 107 107 VAL CB C 13 34.49 0.400 . 1 . . . . 147 VAL CB . 19424 1 322 . 1 1 107 107 VAL N N 15 117.005 0.400 . 1 . . . . 147 VAL N . 19424 1 323 . 1 1 108 108 GLY H H 1 8.668 0.040 . 1 . . . . 148 GLY HN . 19424 1 324 . 1 1 108 108 GLY CA C 13 44.616 0.400 . 1 . . . . 148 GLY CA . 19424 1 325 . 1 1 108 108 GLY N N 15 112.306 0.400 . 1 . . . . 148 GLY N . 19424 1 326 . 1 1 109 109 LEU H H 1 8.343 0.040 . 1 . . . . 149 LEU HN . 19424 1 327 . 1 1 109 109 LEU CA C 13 53.106 0.400 . 1 . . . . 149 LEU CA . 19424 1 328 . 1 1 109 109 LEU CB C 13 43.851 0.400 . 1 . . . . 149 LEU CB . 19424 1 329 . 1 1 109 109 LEU N N 15 121.08 0.400 . 1 . . . . 149 LEU N . 19424 1 330 . 1 1 110 110 GLN H H 1 9.284 0.040 . 1 . . . . 150 GLN HN . 19424 1 331 . 1 1 110 110 GLN CA C 13 54.169 0.400 . 1 . . . . 150 GLN CA . 19424 1 332 . 1 1 110 110 GLN CB C 13 32.098 0.400 . 1 . . . . 150 GLN CB . 19424 1 333 . 1 1 110 110 GLN N N 15 119.216 0.400 . 1 . . . . 150 GLN N . 19424 1 334 . 1 1 111 111 GLU H H 1 8.877 0.040 . 1 . . . . 151 GLU HN . 19424 1 335 . 1 1 111 111 GLU CA C 13 58.157 0.400 . 1 . . . . 151 GLU CA . 19424 1 336 . 1 1 111 111 GLU CB C 13 30.445 0.400 . 1 . . . . 151 GLU CB . 19424 1 337 . 1 1 111 111 GLU N N 15 121.319 0.400 . 1 . . . . 151 GLU N . 19424 1 338 . 1 1 112 112 ASP H H 1 7.942 0.040 . 1 . . . . 152 ASP HN . 19424 1 339 . 1 1 112 112 ASP CA C 13 53.619 0.400 . 1 . . . . 152 ASP CA . 19424 1 340 . 1 1 112 112 ASP CB C 13 41.658 0.400 . 1 . . . . 152 ASP CB . 19424 1 341 . 1 1 112 112 ASP N N 15 118.129 0.400 . 1 . . . . 152 ASP N . 19424 1 342 . 1 1 113 113 THR H H 1 8.069 0.040 . 1 . . . . 153 THR HN . 19424 1 343 . 1 1 113 113 THR CA C 13 60.553 0.400 . 1 . . . . 153 THR CA . 19424 1 344 . 1 1 113 113 THR CB C 13 68.176 0.400 . 1 . . . . 153 THR CB . 19424 1 345 . 1 1 113 113 THR N N 15 112.638 0.400 . 1 . . . . 153 THR N . 19424 1 346 . 1 1 114 114 THR H H 1 8.012 0.040 . 1 . . . . 154 THR HN . 19424 1 347 . 1 1 114 114 THR CA C 13 63.426 0.400 . 1 . . . . 154 THR CA . 19424 1 348 . 1 1 114 114 THR CB C 13 69.143 0.400 . 1 . . . . 154 THR CB . 19424 1 349 . 1 1 114 114 THR N N 15 116.971 0.400 . 1 . . . . 154 THR N . 19424 1 350 . 1 1 115 115 GLY H H 1 8.406 0.040 . 1 . . . . 155 GLY HN . 19424 1 351 . 1 1 115 115 GLY CA C 13 44.2 0.400 . 1 . . . . 155 GLY CA . 19424 1 352 . 1 1 115 115 GLY N N 15 111.466 0.400 . 1 . . . . 155 GLY N . 19424 1 353 . 1 1 116 116 GLU H H 1 8.406 0.040 . 1 . . . . 156 GLU HN . 19424 1 354 . 1 1 116 116 GLU CA C 13 57.614 0.400 . 1 . . . . 156 GLU CA . 19424 1 355 . 1 1 116 116 GLU CB C 13 30.715 0.400 . 1 . . . . 156 GLU CB . 19424 1 356 . 1 1 116 116 GLU N N 15 118.043 0.400 . 1 . . . . 156 GLU N . 19424 1 357 . 1 1 117 117 ALA H H 1 8.172 0.040 . 1 . . . . 157 ALA HN . 19424 1 358 . 1 1 117 117 ALA CA C 13 54.42 0.400 . 1 . . . . 157 ALA CA . 19424 1 359 . 1 1 117 117 ALA CB C 13 17.975 0.400 . 1 . . . . 157 ALA CB . 19424 1 360 . 1 1 117 117 ALA N N 15 121.087 0.400 . 1 . . . . 157 ALA N . 19424 1 361 . 1 1 118 118 CYS H H 1 8.114 0.040 . 1 . . . . 158 CYS HN . 19424 1 362 . 1 1 118 118 CYS CA C 13 56.56 0.400 . 1 . . . . 158 CYS CA . 19424 1 363 . 1 1 118 118 CYS CB C 13 27.425 0.400 . 1 . . . . 158 CYS CB . 19424 1 364 . 1 1 118 118 CYS N N 15 114.472 0.400 . 1 . . . . 158 CYS N . 19424 1 365 . 1 1 119 119 TRP H H 1 7.529 0.040 . 1 . . . . 159 TRP HN . 19424 1 366 . 1 1 119 119 TRP CA C 13 56.414 0.400 . 1 . . . . 159 TRP CA . 19424 1 367 . 1 1 119 119 TRP CB C 13 29.625 0.400 . 1 . . . . 159 TRP CB . 19424 1 368 . 1 1 119 119 TRP N N 15 121.091 0.400 . 1 . . . . 159 TRP N . 19424 1 369 . 1 1 120 120 TRP H H 1 9.741 0.040 . 1 . . . . 160 TRP HN . 19424 1 370 . 1 1 120 120 TRP CA C 13 55.226 0.400 . 1 . . . . 160 TRP CA . 19424 1 371 . 1 1 120 120 TRP CB C 13 31.017 0.400 . 1 . . . . 160 TRP CB . 19424 1 372 . 1 1 120 120 TRP N N 15 126.469 0.400 . 1 . . . . 160 TRP N . 19424 1 373 . 1 1 121 121 THR H H 1 10.242 0.040 . 1 . . . . 161 THR HN . 19424 1 374 . 1 1 121 121 THR CA C 13 60.799 0.400 . 1 . . . . 161 THR CA . 19424 1 375 . 1 1 121 121 THR CB C 13 69.606 0.400 . 1 . . . . 161 THR CB . 19424 1 376 . 1 1 121 121 THR N N 15 117.93 0.400 . 1 . . . . 161 THR N . 19424 1 377 . 1 1 122 122 ILE H H 1 7.708 0.040 . 1 . . . . 162 ILE HN . 19424 1 378 . 1 1 122 122 ILE CA C 13 60.566 0.400 . 1 . . . . 162 ILE CA . 19424 1 379 . 1 1 122 122 ILE CB C 13 38.372 0.400 . 1 . . . . 162 ILE CB . 19424 1 380 . 1 1 122 122 ILE N N 15 121.876 0.400 . 1 . . . . 162 ILE N . 19424 1 381 . 1 1 123 123 HIS H H 1 9.856 0.040 . 1 . . . . 163 HIS HN . 19424 1 382 . 1 1 123 123 HIS CA C 13 52.933 0.400 . 1 . . . . 163 HIS CA . 19424 1 383 . 1 1 123 123 HIS CB C 13 31.635 0.400 . 1 . . . . 163 HIS CB . 19424 1 384 . 1 1 123 123 HIS N N 15 128.712 0.400 . 1 . . . . 163 HIS N . 19424 1 385 . 1 1 125 125 ALA H H 1 8.197 0.040 . 1 . . . . 165 ALA HN . 19424 1 386 . 1 1 125 125 ALA CA C 13 51.841 0.400 . 1 . . . . 165 ALA CA . 19424 1 387 . 1 1 125 125 ALA CB C 13 19.75 0.400 . 1 . . . . 165 ALA CB . 19424 1 388 . 1 1 125 125 ALA N N 15 122.272 0.400 . 1 . . . . 165 ALA N . 19424 1 389 . 1 1 126 126 SER H H 1 7.672 0.040 . 1 . . . . 166 SER HN . 19424 1 390 . 1 1 126 126 SER CA C 13 56.305 0.400 . 1 . . . . 166 SER CA . 19424 1 391 . 1 1 126 126 SER CB C 13 64.666 0.400 . 1 . . . . 166 SER CB . 19424 1 392 . 1 1 126 126 SER N N 15 111.473 0.400 . 1 . . . . 166 SER N . 19424 1 393 . 1 1 128 128 GLN H H 1 8.127 0.040 . 1 . . . . 168 GLN HN . 19424 1 394 . 1 1 128 128 GLN CA C 13 56.554 0.400 . 1 . . . . 168 GLN CA . 19424 1 395 . 1 1 128 128 GLN CB C 13 28.239 0.400 . 1 . . . . 168 GLN CB . 19424 1 396 . 1 1 128 128 GLN N N 15 117.931 0.400 . 1 . . . . 168 GLN N . 19424 1 397 . 1 1 129 129 ARG H H 1 7.171 0.040 . 1 . . . . 169 ARG HN . 19424 1 398 . 1 1 129 129 ARG CA C 13 52.302 0.400 . 1 . . . . 169 ARG CA . 19424 1 399 . 1 1 129 129 ARG CB C 13 31.944 0.400 . 1 . . . . 169 ARG CB . 19424 1 400 . 1 1 129 129 ARG N N 15 117.114 0.400 . 1 . . . . 169 ARG N . 19424 1 401 . 1 1 130 130 SER H H 1 8.26 0.040 . 1 . . . . 170 SER HN . 19424 1 402 . 1 1 130 130 SER CA C 13 56.489 0.400 . 1 . . . . 170 SER CA . 19424 1 403 . 1 1 130 130 SER CB C 13 65.592 0.400 . 1 . . . . 170 SER CB . 19424 1 404 . 1 1 130 130 SER N N 15 114.517 0.400 . 1 . . . . 170 SER N . 19424 1 405 . 1 1 131 131 GLU H H 1 8.531 0.040 . 1 . . . . 171 GLU HN . 19424 1 406 . 1 1 131 131 GLU CA C 13 58.183 0.400 . 1 . . . . 171 GLU CA . 19424 1 407 . 1 1 131 131 GLU CB C 13 28.471 0.400 . 1 . . . . 171 GLU CB . 19424 1 408 . 1 1 131 131 GLU N N 15 121.69 0.400 . 1 . . . . 171 GLU N . 19424 1 409 . 1 1 132 132 GLY H H 1 8.781 0.040 . 1 . . . . 172 GLY HN . 19424 1 410 . 1 1 132 132 GLY CA C 13 44.866 0.400 . 1 . . . . 172 GLY CA . 19424 1 411 . 1 1 132 132 GLY N N 15 113.469 0.400 . 1 . . . . 172 GLY N . 19424 1 412 . 1 1 133 133 GLU H H 1 7.864 0.040 . 1 . . . . 173 GLU HN . 19424 1 413 . 1 1 133 133 GLU CA C 13 55.134 0.400 . 1 . . . . 173 GLU CA . 19424 1 414 . 1 1 133 133 GLU CB C 13 30.554 0.400 . 1 . . . . 173 GLU CB . 19424 1 415 . 1 1 133 133 GLU N N 15 119.698 0.400 . 1 . . . . 173 GLU N . 19424 1 416 . 1 1 134 134 LYS H H 1 8.229 0.040 . 1 . . . . 174 LYS HN . 19424 1 417 . 1 1 134 134 LYS CA C 13 56.805 0.400 . 1 . . . . 174 LYS CA . 19424 1 418 . 1 1 134 134 LYS CB C 13 33.651 0.400 . 1 . . . . 174 LYS CB . 19424 1 419 . 1 1 134 134 LYS N N 15 120.626 0.400 . 1 . . . . 174 LYS N . 19424 1 420 . 1 1 135 135 VAL H H 1 8.152 0.040 . 1 . . . . 175 VAL HN . 19424 1 421 . 1 1 135 135 VAL CA C 13 62.245 0.400 . 1 . . . . 175 VAL CA . 19424 1 422 . 1 1 135 135 VAL CB C 13 30.554 0.400 . 1 . . . . 175 VAL CB . 19424 1 423 . 1 1 135 135 VAL N N 15 123.082 0.400 . 1 . . . . 175 VAL N . 19424 1 424 . 1 1 136 136 ARG H H 1 7.688 0.040 . 1 . . . . 176 ARG HN . 19424 1 425 . 1 1 136 136 ARG CA C 13 55.455 0.400 . 1 . . . . 176 ARG CA . 19424 1 426 . 1 1 136 136 ARG CB C 13 30.17 0.400 . 1 . . . . 176 ARG CB . 19424 1 427 . 1 1 136 136 ARG N N 15 127.873 0.400 . 1 . . . . 176 ARG N . 19424 1 428 . 1 1 139 139 ASP H H 1 7.807 0.040 . 1 . . . . 179 ASP HN . 19424 1 429 . 1 1 139 139 ASP CA C 13 54.01 0.400 . 1 . . . . 179 ASP CA . 19424 1 430 . 1 1 139 139 ASP CB C 13 39.994 0.400 . 1 . . . . 179 ASP CB . 19424 1 431 . 1 1 139 139 ASP N N 15 122.393 0.400 . 1 . . . . 179 ASP N . 19424 1 432 . 1 1 140 140 ASP H H 1 8.559 0.040 . 1 . . . . 180 ASP HN . 19424 1 433 . 1 1 140 140 ASP CA C 13 53.888 0.400 . 1 . . . . 180 ASP CA . 19424 1 434 . 1 1 140 140 ASP CB C 13 41.652 0.400 . 1 . . . . 180 ASP CB . 19424 1 435 . 1 1 140 140 ASP N N 15 122.283 0.400 . 1 . . . . 180 ASP N . 19424 1 436 . 1 1 141 141 LEU H H 1 9.855 0.040 . 1 . . . . 181 LEU HN . 19424 1 437 . 1 1 141 141 LEU CA C 13 53.822 0.400 . 1 . . . . 181 LEU CA . 19424 1 438 . 1 1 141 141 LEU CB C 13 44.395 0.400 . 1 . . . . 181 LEU CB . 19424 1 439 . 1 1 141 141 LEU N N 15 121.084 0.400 . 1 . . . . 181 LEU N . 19424 1 440 . 1 1 142 142 ILE H H 1 8.445 0.040 . 1 . . . . 182 ILE HN . 19424 1 441 . 1 1 142 142 ILE CA C 13 59.869 0.400 . 1 . . . . 182 ILE CA . 19424 1 442 . 1 1 142 142 ILE CB C 13 39.43 0.400 . 1 . . . . 182 ILE CB . 19424 1 443 . 1 1 142 142 ILE N N 15 120.503 0.400 . 1 . . . . 182 ILE N . 19424 1 444 . 1 1 143 143 LEU H H 1 8.972 0.040 . 1 . . . . 183 LEU HN . 19424 1 445 . 1 1 143 143 LEU CA C 13 53.382 0.400 . 1 . . . . 183 LEU CA . 19424 1 446 . 1 1 143 143 LEU CB C 13 44.112 0.400 . 1 . . . . 183 LEU CB . 19424 1 447 . 1 1 143 143 LEU N N 15 128.115 0.400 . 1 . . . . 183 LEU N . 19424 1 448 . 1 1 144 144 VAL H H 1 9.204 0.040 . 1 . . . . 184 VAL HN . 19424 1 449 . 1 1 144 144 VAL CA C 13 60.206 0.400 . 1 . . . . 184 VAL CA . 19424 1 450 . 1 1 144 144 VAL CB C 13 33.487 0.400 . 1 . . . . 184 VAL CB . 19424 1 451 . 1 1 144 144 VAL N N 15 123.31 0.400 . 1 . . . . 184 VAL N . 19424 1 452 . 1 1 145 145 SER H H 1 9.274 0.040 . 1 . . . . 185 SER HN . 19424 1 453 . 1 1 145 145 SER CA C 13 57.071 0.400 . 1 . . . . 185 SER CA . 19424 1 454 . 1 1 145 145 SER CB C 13 62.042 0.400 . 1 . . . . 185 SER CB . 19424 1 455 . 1 1 145 145 SER N N 15 124.224 0.400 . 1 . . . . 185 SER N . 19424 1 456 . 1 1 146 146 VAL H H 1 8.342 0.040 . 1 . . . . 186 VAL HN . 19424 1 457 . 1 1 146 146 VAL CA C 13 65.22 0.400 . 1 . . . . 186 VAL CA . 19424 1 458 . 1 1 146 146 VAL CB C 13 30.983 0.400 . 1 . . . . 186 VAL CB . 19424 1 459 . 1 1 146 146 VAL N N 15 132.224 0.400 . 1 . . . . 186 VAL N . 19424 1 460 . 1 1 147 147 SER H H 1 7.18 0.040 . 1 . . . . 187 SER HN . 19424 1 461 . 1 1 147 147 SER CA C 13 59.748 0.400 . 1 . . . . 187 SER CA . 19424 1 462 . 1 1 147 147 SER CB C 13 61.624 0.400 . 1 . . . . 187 SER CB . 19424 1 463 . 1 1 147 147 SER N N 15 110.988 0.400 . 1 . . . . 187 SER N . 19424 1 464 . 1 1 148 148 SER H H 1 7.924 0.040 . 1 . . . . 188 SER HN . 19424 1 465 . 1 1 148 148 SER CA C 13 58.413 0.400 . 1 . . . . 188 SER CA . 19424 1 466 . 1 1 148 148 SER CB C 13 66.21 0.400 . 1 . . . . 188 SER CB . 19424 1 467 . 1 1 148 148 SER N N 15 114.759 0.400 . 1 . . . . 188 SER N . 19424 1 468 . 1 1 149 149 GLU H H 1 7.844 0.040 . 1 . . . . 189 GLU HN . 19424 1 469 . 1 1 149 149 GLU CA C 13 58.145 0.400 . 1 . . . . 189 GLU CA . 19424 1 470 . 1 1 149 149 GLU CB C 13 26.696 0.400 . 1 . . . . 189 GLU CB . 19424 1 471 . 1 1 149 149 GLU N N 15 118.4 0.400 . 1 . . . . 189 GLU N . 19424 1 472 . 1 1 150 150 ARG H H 1 6.742 0.040 . 1 . . . . 190 ARG HN . 19424 1 473 . 1 1 150 150 ARG CA C 13 53.688 0.400 . 1 . . . . 190 ARG CA . 19424 1 474 . 1 1 150 150 ARG CB C 13 31.55 0.400 . 1 . . . . 190 ARG CB . 19424 1 475 . 1 1 150 150 ARG N N 15 116.733 0.400 . 1 . . . . 190 ARG N . 19424 1 476 . 1 1 151 151 TYR H H 1 8.921 0.040 . 1 . . . . 191 TYR HN . 19424 1 477 . 1 1 151 151 TYR CA C 13 56.83 0.400 . 1 . . . . 191 TYR CA . 19424 1 478 . 1 1 151 151 TYR CB C 13 38.735 0.400 . 1 . . . . 191 TYR CB . 19424 1 479 . 1 1 151 151 TYR N N 15 118.846 0.400 . 1 . . . . 191 TYR N . 19424 1 480 . 1 1 152 152 LEU H H 1 8.858 0.040 . 1 . . . . 192 LEU HN . 19424 1 481 . 1 1 152 152 LEU CA C 13 56.563 0.400 . 1 . . . . 192 LEU CA . 19424 1 482 . 1 1 152 152 LEU CB C 13 40.93 0.400 . 1 . . . . 192 LEU CB . 19424 1 483 . 1 1 152 152 LEU N N 15 123.297 0.400 . 1 . . . . 192 LEU N . 19424 1 484 . 1 1 153 153 HIS H H 1 10.204 0.040 . 1 . . . . 193 HIS HN . 19424 1 485 . 1 1 153 153 HIS CA C 13 55.771 0.400 . 1 . . . . 193 HIS CA . 19424 1 486 . 1 1 153 153 HIS CB C 13 31.172 0.400 . 1 . . . . 193 HIS CB . 19424 1 487 . 1 1 153 153 HIS N N 15 134.217 0.400 . 1 . . . . 193 HIS N . 19424 1 488 . 1 1 154 154 LEU H H 1 7.758 0.040 . 1 . . . . 194 LEU HN . 19424 1 489 . 1 1 154 154 LEU CA C 13 53.832 0.400 . 1 . . . . 194 LEU CA . 19424 1 490 . 1 1 154 154 LEU CB C 13 43.134 0.400 . 1 . . . . 194 LEU CB . 19424 1 491 . 1 1 154 154 LEU N N 15 128.589 0.400 . 1 . . . . 194 LEU N . 19424 1 492 . 1 1 155 155 SER H H 1 9.08 0.040 . 1 . . . . 195 SER HN . 19424 1 493 . 1 1 155 155 SER CA C 13 56.283 0.400 . 1 . . . . 195 SER CA . 19424 1 494 . 1 1 155 155 SER CB C 13 65.438 0.400 . 1 . . . . 195 SER CB . 19424 1 495 . 1 1 155 155 SER N N 15 122.728 0.400 . 1 . . . . 195 SER N . 19424 1 496 . 1 1 156 156 TYR H H 1 8.533 0.040 . 1 . . . . 196 TYR HN . 19424 1 497 . 1 1 156 156 TYR CA C 13 56.444 0.400 . 1 . . . . 196 TYR CA . 19424 1 498 . 1 1 156 156 TYR CB C 13 39.198 0.400 . 1 . . . . 196 TYR CB . 19424 1 499 . 1 1 156 156 TYR N N 15 124.607 0.400 . 1 . . . . 196 TYR N . 19424 1 500 . 1 1 157 157 GLY H H 1 8.01 0.040 . 1 . . . . 197 GLY HN . 19424 1 501 . 1 1 157 157 GLY CA C 13 44.849 0.400 . 1 . . . . 197 GLY CA . 19424 1 502 . 1 1 157 157 GLY N N 15 114.307 0.400 . 1 . . . . 197 GLY N . 19424 1 503 . 1 1 160 160 SER H H 1 6.914 0.040 . 1 . . . . 200 SER HN . 19424 1 504 . 1 1 160 160 SER CA C 13 56.302 0.400 . 1 . . . . 200 SER CA . 19424 1 505 . 1 1 160 160 SER CB C 13 64.744 0.400 . 1 . . . . 200 SER CB . 19424 1 506 . 1 1 160 160 SER N N 15 113.346 0.400 . 1 . . . . 200 SER N . 19424 1 507 . 1 1 161 161 TRP H H 1 8.159 0.040 . 1 . . . . 201 TRP HN . 19424 1 508 . 1 1 161 161 TRP CA C 13 56.302 0.400 . 1 . . . . 201 TRP CA . 19424 1 509 . 1 1 161 161 TRP CB C 13 30.786 0.400 . 1 . . . . 201 TRP CB . 19424 1 510 . 1 1 161 161 TRP N N 15 121.668 0.400 . 1 . . . . 201 TRP N . 19424 1 511 . 1 1 162 162 HIS H H 1 9.303 0.040 . 1 . . . . 202 HIS HN . 19424 1 512 . 1 1 162 162 HIS CA C 13 54.964 0.400 . 1 . . . . 202 HIS CA . 19424 1 513 . 1 1 162 162 HIS CB C 13 32.351 0.400 . 1 . . . . 202 HIS CB . 19424 1 514 . 1 1 162 162 HIS N N 15 121.442 0.400 . 1 . . . . 202 HIS N . 19424 1 515 . 1 1 163 163 VAL H H 1 8.496 0.040 . 1 . . . . 203 VAL HN . 19424 1 516 . 1 1 163 163 VAL CA C 13 57.89 0.400 . 1 . . . . 203 VAL CA . 19424 1 517 . 1 1 163 163 VAL CB C 13 33.449 0.400 . 1 . . . . 203 VAL CB . 19424 1 518 . 1 1 163 163 VAL N N 15 119.083 0.400 . 1 . . . . 203 VAL N . 19424 1 519 . 1 1 164 164 ASP H H 1 9.785 0.040 . 1 . . . . 204 ASP HN . 19424 1 520 . 1 1 164 164 ASP CA C 13 52.854 0.400 . 1 . . . . 204 ASP CA . 19424 1 521 . 1 1 164 164 ASP CB C 13 41.94 0.400 . 1 . . . . 204 ASP CB . 19424 1 522 . 1 1 164 164 ASP N N 15 128.813 0.400 . 1 . . . . 204 ASP N . 19424 1 523 . 1 1 165 165 ALA H H 1 9.296 0.040 . 1 . . . . 205 ALA HN . 19424 1 524 . 1 1 165 165 ALA CA C 13 49.633 0.400 . 1 . . . . 205 ALA CA . 19424 1 525 . 1 1 165 165 ALA CB C 13 18.824 0.400 . 1 . . . . 205 ALA CB . 19424 1 526 . 1 1 165 165 ALA N N 15 120.959 0.400 . 1 . . . . 205 ALA N . 19424 1 527 . 1 1 166 166 ALA H H 1 9.085 0.040 . 1 . . . . 206 ALA HN . 19424 1 528 . 1 1 166 166 ALA CA C 13 49.788 0.400 . 1 . . . . 206 ALA CA . 19424 1 529 . 1 1 166 166 ALA CB C 13 23.145 0.400 . 1 . . . . 206 ALA CB . 19424 1 530 . 1 1 166 166 ALA N N 15 127.302 0.400 . 1 . . . . 206 ALA N . 19424 1 531 . 1 1 167 167 PHE H H 1 8.915 0.040 . 1 . . . . 207 PHE HN . 19424 1 532 . 1 1 167 167 PHE CA C 13 59.212 0.400 . 1 . . . . 207 PHE CA . 19424 1 533 . 1 1 167 167 PHE CB C 13 37.427 0.400 . 1 . . . . 207 PHE CB . 19424 1 534 . 1 1 167 167 PHE N N 15 118.047 0.400 . 1 . . . . 207 PHE N . 19424 1 535 . 1 1 168 168 GLN H H 1 6.616 0.040 . 1 . . . . 208 GLN HN . 19424 1 536 . 1 1 168 168 GLN CA C 13 54.622 0.400 . 1 . . . . 208 GLN CA . 19424 1 537 . 1 1 168 168 GLN CB C 13 29.812 0.400 . 1 . . . . 208 GLN CB . 19424 1 538 . 1 1 168 168 GLN N N 15 117.5 0.400 . 1 . . . . 208 GLN N . 19424 1 539 . 1 1 169 169 GLN H H 1 8.14 0.040 . 1 . . . . 209 GLN HN . 19424 1 540 . 1 1 169 169 GLN CA C 13 55.773 0.400 . 1 . . . . 209 GLN CA . 19424 1 541 . 1 1 169 169 GLN CB C 13 29.088 0.400 . 1 . . . . 209 GLN CB . 19424 1 542 . 1 1 169 169 GLN N N 15 117.477 0.400 . 1 . . . . 209 GLN N . 19424 1 543 . 1 1 170 170 THR H H 1 6.583 0.040 . 1 . . . . 210 THR HN . 19424 1 544 . 1 1 170 170 THR CA C 13 62.396 0.400 . 1 . . . . 210 THR CA . 19424 1 545 . 1 1 170 170 THR CB C 13 72.075 0.400 . 1 . . . . 210 THR CB . 19424 1 546 . 1 1 170 170 THR N N 15 117.092 0.400 . 1 . . . . 210 THR N . 19424 1 547 . 1 1 171 171 LEU H H 1 8.37 0.040 . 1 . . . . 211 LEU HN . 19424 1 548 . 1 1 171 171 LEU CA C 13 54.435 0.400 . 1 . . . . 211 LEU CA . 19424 1 549 . 1 1 171 171 LEU CB C 13 40.742 0.400 . 1 . . . . 211 LEU CB . 19424 1 550 . 1 1 171 171 LEU N N 15 126.86 0.400 . 1 . . . . 211 LEU N . 19424 1 551 . 1 1 172 172 TRP H H 1 9.601 0.040 . 1 . . . . 212 TRP HN . 19424 1 552 . 1 1 172 172 TRP CA C 13 55.482 0.400 . 1 . . . . 212 TRP CA . 19424 1 553 . 1 1 172 172 TRP CB C 13 30.169 0.400 . 1 . . . . 212 TRP CB . 19424 1 554 . 1 1 172 172 TRP N N 15 126.831 0.400 . 1 . . . . 212 TRP N . 19424 1 555 . 1 1 173 173 SER H H 1 9.675 0.040 . 1 . . . . 213 SER HN . 19424 1 556 . 1 1 173 173 SER CA C 13 56.599 0.400 . 1 . . . . 213 SER CA . 19424 1 557 . 1 1 173 173 SER CB C 13 64.358 0.400 . 1 . . . . 213 SER CB . 19424 1 558 . 1 1 173 173 SER N N 15 117.978 0.400 . 1 . . . . 213 SER N . 19424 1 559 . 1 1 174 174 VAL CA C 13 60.29 0.400 . 1 . . . . 214 VAL CA . 19424 1 560 . 1 1 174 174 VAL CB C 13 32.793 0.400 . 1 . . . . 214 VAL CB . 19424 1 561 . 1 1 175 175 ALA H H 1 8.681 0.040 . 1 . . . . 215 ALA HN . 19424 1 562 . 1 1 175 175 ALA CA C 13 48.529 0.400 . 1 . . . . 215 ALA CA . 19424 1 563 . 1 1 175 175 ALA CB C 13 19.441 0.400 . 1 . . . . 215 ALA CB . 19424 1 564 . 1 1 175 175 ALA N N 15 130.227 0.400 . 1 . . . . 215 ALA N . 19424 1 565 . 1 1 177 177 ILE H H 1 7.784 0.040 . 1 . . . . 217 ILE HN . 19424 1 566 . 1 1 177 177 ILE N N 15 126.199 0.400 . 1 . . . . 217 ILE N . 19424 1 stop_ save_