################################### # 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 19162 _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 '3D HNCA' . . . 19162 1 2 '3D HN(CO)CA' . . . 19162 1 3 '3D HN(CA)CO' . . . 19162 1 4 '3D HNCO' . . . 19162 1 5 '3D HNCACB' . . . 19162 1 6 '3D HN(COCA)CB' . . . 19162 1 7 '3D 1H-15N NOESY' . . . 19162 1 8 '3D 1H-13C NOESY (MET)' . . . 19162 1 11 '2D 1H-15N HSQC (28m CT)' . . . 19162 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 ALA C C 13 178.255 0.000 . 1 . . . . A 2 ALA C . 19162 1 2 . 1 1 2 2 ALA CA C 13 53.263 0.000 . 1 . . . . A 2 ALA CA . 19162 1 3 . 1 1 2 2 ALA CB C 13 18.411 0.000 . 1 . . . . A 2 ALA CB . 19162 1 4 . 1 1 3 3 LYS H H 1 8.607 0.000 . 1 . . . . A 3 LYS H . 19162 1 5 . 1 1 3 3 LYS C C 13 176.752 0.000 . 1 . . . . A 3 LYS C . 19162 1 6 . 1 1 3 3 LYS CA C 13 57.816 0.000 . 1 . . . . A 3 LYS CA . 19162 1 7 . 1 1 3 3 LYS CB C 13 31.751 0.000 . 1 . . . . A 3 LYS CB . 19162 1 8 . 1 1 3 3 LYS N N 15 119.081 0.000 . 1 . . . . A 3 LYS N . 19162 1 9 . 1 1 4 4 ASN H H 1 8.185 0.000 . 1 . . . . A 4 ASN H . 19162 1 10 . 1 1 4 4 ASN C C 13 176.029 0.000 . 1 . . . . A 4 ASN C . 19162 1 11 . 1 1 4 4 ASN CA C 13 54.712 0.000 . 1 . . . . A 4 ASN CA . 19162 1 12 . 1 1 4 4 ASN CB C 13 38.244 0.000 . 1 . . . . A 4 ASN CB . 19162 1 13 . 1 1 4 4 ASN N N 15 118.255 0.000 . 1 . . . . A 4 ASN N . 19162 1 14 . 1 1 5 5 VAL H H 1 7.857 0.000 . 1 . . . . A 5 VAL H . 19162 1 15 . 1 1 5 5 VAL HG11 H 1 0.892 0.000 . 2 . . . . A 5 VAL HG11 . 19162 1 16 . 1 1 5 5 VAL HG12 H 1 0.892 0.000 . 2 . . . . A 5 VAL HG12 . 19162 1 17 . 1 1 5 5 VAL HG13 H 1 0.892 0.000 . 2 . . . . A 5 VAL HG13 . 19162 1 18 . 1 1 5 5 VAL HG21 H 1 0.954 0.000 . 2 . . . . A 5 VAL HG21 . 19162 1 19 . 1 1 5 5 VAL HG22 H 1 0.954 0.000 . 2 . . . . A 5 VAL HG22 . 19162 1 20 . 1 1 5 5 VAL HG23 H 1 0.954 0.000 . 2 . . . . A 5 VAL HG23 . 19162 1 21 . 1 1 5 5 VAL C C 13 177.259 0.000 . 1 . . . . A 5 VAL C . 19162 1 22 . 1 1 5 5 VAL CA C 13 64.232 0.000 . 1 . . . . A 5 VAL CA . 19162 1 23 . 1 1 5 5 VAL CB C 13 31.524 0.000 . 1 . . . . A 5 VAL CB . 19162 1 24 . 1 1 5 5 VAL CG1 C 13 21.402 0.000 . 2 . . . . A 5 VAL CG1 . 19162 1 25 . 1 1 5 5 VAL CG2 C 13 21.677 0.000 . 2 . . . . A 5 VAL CG2 . 19162 1 26 . 1 1 5 5 VAL N N 15 119.998 0.000 . 1 . . . . A 5 VAL N . 19162 1 27 . 1 1 6 6 ILE H H 1 8.062 0.000 . 1 . . . . A 6 ILE H . 19162 1 28 . 1 1 6 6 ILE HG21 H 1 0.827 0.000 . 1 . . . . A 6 ILE HG21 . 19162 1 29 . 1 1 6 6 ILE HG22 H 1 0.827 0.000 . 1 . . . . A 6 ILE HG22 . 19162 1 30 . 1 1 6 6 ILE HG23 H 1 0.827 0.000 . 1 . . . . A 6 ILE HG23 . 19162 1 31 . 1 1 6 6 ILE HD11 H 1 0.807 0.000 . 1 . . . . A 6 ILE HD11 . 19162 1 32 . 1 1 6 6 ILE HD12 H 1 0.807 0.000 . 1 . . . . A 6 ILE HD12 . 19162 1 33 . 1 1 6 6 ILE HD13 H 1 0.807 0.000 . 1 . . . . A 6 ILE HD13 . 19162 1 34 . 1 1 6 6 ILE C C 13 177.009 0.000 . 1 . . . . A 6 ILE C . 19162 1 35 . 1 1 6 6 ILE CA C 13 63.400 0.000 . 1 . . . . A 6 ILE CA . 19162 1 36 . 1 1 6 6 ILE CB C 13 37.177 0.000 . 1 . . . . A 6 ILE CB . 19162 1 37 . 1 1 6 6 ILE CG2 C 13 17.565 0.000 . 1 . . . . A 6 ILE CG2 . 19162 1 38 . 1 1 6 6 ILE CD1 C 13 13.294 0.000 . 1 . . . . A 6 ILE CD1 . 19162 1 39 . 1 1 6 6 ILE N N 15 122.474 0.000 . 1 . . . . A 6 ILE N . 19162 1 40 . 1 1 7 7 VAL H H 1 7.993 0.000 . 1 . . . . A 7 VAL H . 19162 1 41 . 1 1 7 7 VAL HG11 H 1 0.879 0.000 . 2 . . . . A 7 VAL HG11 . 19162 1 42 . 1 1 7 7 VAL HG12 H 1 0.879 0.000 . 2 . . . . A 7 VAL HG12 . 19162 1 43 . 1 1 7 7 VAL HG13 H 1 0.879 0.000 . 2 . . . . A 7 VAL HG13 . 19162 1 44 . 1 1 7 7 VAL HG21 H 1 0.957 0.000 . 2 . . . . A 7 VAL HG21 . 19162 1 45 . 1 1 7 7 VAL HG22 H 1 0.957 0.000 . 2 . . . . A 7 VAL HG22 . 19162 1 46 . 1 1 7 7 VAL HG23 H 1 0.957 0.000 . 2 . . . . A 7 VAL HG23 . 19162 1 47 . 1 1 7 7 VAL C C 13 177.009 0.000 . 1 . . . . A 7 VAL C . 19162 1 48 . 1 1 7 7 VAL CA C 13 65.017 0.000 . 1 . . . . A 7 VAL CA . 19162 1 49 . 1 1 7 7 VAL CB C 13 31.309 0.000 . 1 . . . . A 7 VAL CB . 19162 1 50 . 1 1 7 7 VAL CG1 C 13 21.555 0.000 . 2 . . . . A 7 VAL CG1 . 19162 1 51 . 1 1 7 7 VAL CG2 C 13 22.369 0.000 . 2 . . . . A 7 VAL CG2 . 19162 1 52 . 1 1 7 7 VAL N N 15 120.915 0.000 . 1 . . . . A 7 VAL N . 19162 1 53 . 1 1 8 8 LEU H H 1 8.061 0.000 . 1 . . . . A 8 LEU H . 19162 1 54 . 1 1 8 8 LEU HD11 H 1 0.844 0.000 . 2 . . . . A 8 LEU HD11 . 19162 1 55 . 1 1 8 8 LEU HD12 H 1 0.844 0.000 . 2 . . . . A 8 LEU HD12 . 19162 1 56 . 1 1 8 8 LEU HD13 H 1 0.844 0.000 . 2 . . . . A 8 LEU HD13 . 19162 1 57 . 1 1 8 8 LEU HD21 H 1 0.810 0.000 . 2 . . . . A 8 LEU HD21 . 19162 1 58 . 1 1 8 8 LEU HD22 H 1 0.810 0.000 . 2 . . . . A 8 LEU HD22 . 19162 1 59 . 1 1 8 8 LEU HD23 H 1 0.810 0.000 . 2 . . . . A 8 LEU HD23 . 19162 1 60 . 1 1 8 8 LEU C C 13 178.655 0.000 . 1 . . . . A 8 LEU C . 19162 1 61 . 1 1 8 8 LEU CA C 13 56.781 0.000 . 1 . . . . A 8 LEU CA . 19162 1 62 . 1 1 8 8 LEU CB C 13 41.010 0.000 . 1 . . . . A 8 LEU CB . 19162 1 63 . 1 1 8 8 LEU CD1 C 13 25.018 0.000 . 2 . . . . A 8 LEU CD1 . 19162 1 64 . 1 1 8 8 LEU CD2 C 13 23.824 0.000 . 2 . . . . A 8 LEU CD2 . 19162 1 65 . 1 1 8 8 LEU N N 15 121.098 0.000 . 1 . . . . A 8 LEU N . 19162 1 66 . 1 1 9 9 ASN H H 1 8.102 0.000 . 1 . . . . A 9 ASN H . 19162 1 67 . 1 1 9 9 ASN C C 13 176.695 0.000 . 1 . . . . A 9 ASN C . 19162 1 68 . 1 1 9 9 ASN CA C 13 54.919 0.000 . 1 . . . . A 9 ASN CA . 19162 1 69 . 1 1 9 9 ASN CB C 13 38.674 0.000 . 1 . . . . A 9 ASN CB . 19162 1 70 . 1 1 9 9 ASN N N 15 118.347 0.000 . 1 . . . . A 9 ASN N . 19162 1 71 . 1 1 10 10 ALA H H 1 8.388 0.000 . 1 . . . . A 10 ALA H . 19162 1 72 . 1 1 10 10 ALA HB1 H 1 1.389 0.000 . 1 . . . . A 10 ALA HB1 . 19162 1 73 . 1 1 10 10 ALA HB2 H 1 1.389 0.000 . 1 . . . . A 10 ALA HB2 . 19162 1 74 . 1 1 10 10 ALA HB3 H 1 1.389 0.000 . 1 . . . . A 10 ALA HB3 . 19162 1 75 . 1 1 10 10 ALA C C 13 178.263 0.000 . 1 . . . . A 10 ALA C . 19162 1 76 . 1 1 10 10 ALA CA C 13 54.505 0.000 . 1 . . . . A 10 ALA CA . 19162 1 77 . 1 1 10 10 ALA CB C 13 17.942 0.000 . 1 . . . . A 10 ALA CB . 19162 1 78 . 1 1 10 10 ALA N N 15 124.124 0.000 . 1 . . . . A 10 ALA N . 19162 1 79 . 1 1 11 11 ALA H H 1 8.279 0.000 . 1 . . . . A 11 ALA H . 19162 1 80 . 1 1 11 11 ALA HB1 H 1 1.382 0.000 . 1 . . . . A 11 ALA HB1 . 19162 1 81 . 1 1 11 11 ALA HB2 H 1 1.382 0.000 . 1 . . . . A 11 ALA HB2 . 19162 1 82 . 1 1 11 11 ALA HB3 H 1 1.382 0.000 . 1 . . . . A 11 ALA HB3 . 19162 1 83 . 1 1 11 11 ALA C C 13 179.204 0.000 . 1 . . . . A 11 ALA C . 19162 1 84 . 1 1 11 11 ALA CA C 13 54.298 0.000 . 1 . . . . A 11 ALA CA . 19162 1 85 . 1 1 11 11 ALA CB C 13 17.942 0.000 . 1 . . . . A 11 ALA CB . 19162 1 86 . 1 1 11 11 ALA N N 15 119.814 0.000 . 1 . . . . A 11 ALA N . 19162 1 87 . 1 1 12 12 SER H H 1 7.952 0.000 . 1 . . . . A 12 SER H . 19162 1 88 . 1 1 12 12 SER C C 13 175.873 0.000 . 1 . . . . A 12 SER C . 19162 1 89 . 1 1 12 12 SER CA C 13 60.140 0.000 . 1 . . . . A 12 SER CA . 19162 1 90 . 1 1 12 12 SER CB C 13 63.221 0.000 . 1 . . . . A 12 SER CB . 19162 1 91 . 1 1 12 12 SER N N 15 113.303 0.000 . 1 . . . . A 12 SER N . 19162 1 92 . 1 1 13 13 ALA H H 1 7.924 0.000 . 1 . . . . A 13 ALA H . 19162 1 93 . 1 1 13 13 ALA HB1 H 1 1.382 0.000 . 1 . . . . A 13 ALA HB1 . 19162 1 94 . 1 1 13 13 ALA HB2 H 1 1.382 0.000 . 1 . . . . A 13 ALA HB2 . 19162 1 95 . 1 1 13 13 ALA HB3 H 1 1.382 0.000 . 1 . . . . A 13 ALA HB3 . 19162 1 96 . 1 1 13 13 ALA C C 13 178.420 0.000 . 1 . . . . A 13 ALA C . 19162 1 97 . 1 1 13 13 ALA CA C 13 53.470 0.000 . 1 . . . . A 13 ALA CA . 19162 1 98 . 1 1 13 13 ALA CB C 13 18.373 0.000 . 1 . . . . A 13 ALA CB . 19162 1 99 . 1 1 13 13 ALA N N 15 124.308 0.000 . 1 . . . . A 13 ALA N . 19162 1 100 . 1 1 14 14 ALA H H 1 7.965 0.000 . 1 . . . . A 14 ALA H . 19162 1 101 . 1 1 14 14 ALA HB1 H 1 1.272 0.000 . 1 . . . . A 14 ALA HB1 . 19162 1 102 . 1 1 14 14 ALA HB2 H 1 1.272 0.000 . 1 . . . . A 14 ALA HB2 . 19162 1 103 . 1 1 14 14 ALA HB3 H 1 1.272 0.000 . 1 . . . . A 14 ALA HB3 . 19162 1 104 . 1 1 14 14 ALA C C 13 178.420 0.000 . 1 . . . . A 14 ALA C . 19162 1 105 . 1 1 14 14 ALA CA C 13 53.263 0.000 . 1 . . . . A 14 ALA CA . 19162 1 106 . 1 1 14 14 ALA CB C 13 18.373 0.000 . 1 . . . . A 14 ALA CB . 19162 1 107 . 1 1 14 14 ALA N N 15 119.998 0.000 . 1 . . . . A 14 ALA N . 19162 1 108 . 1 1 15 15 GLY H H 1 8.020 0.000 . 1 . . . . A 15 GLY H . 19162 1 109 . 1 1 15 15 GLY C C 13 174.422 0.000 . 1 . . . . A 15 GLY C . 19162 1 110 . 1 1 15 15 GLY CA C 13 45.605 0.000 . 1 . . . . A 15 GLY CA . 19162 1 111 . 1 1 15 15 GLY N N 15 105.417 0.000 . 1 . . . . A 15 GLY N . 19162 1 112 . 1 1 16 16 ASN H H 1 8.156 0.000 . 1 . . . . A 16 ASN H . 19162 1 113 . 1 1 16 16 ASN C C 13 175.598 0.000 . 1 . . . . A 16 ASN C . 19162 1 114 . 1 1 16 16 ASN CA C 13 53.677 0.000 . 1 . . . . A 16 ASN CA . 19162 1 115 . 1 1 16 16 ASN CB C 13 38.621 0.000 . 1 . . . . A 16 ASN CB . 19162 1 116 . 1 1 16 16 ASN N N 15 118.989 0.000 . 1 . . . . A 16 ASN N . 19162 1 117 . 1 1 17 17 HIS H H 1 8.322 0.000 . 1 . . . . A 17 HIS H . 19162 1 118 . 1 1 17 17 HIS C C 13 176.068 0.000 . 1 . . . . A 17 HIS C . 19162 1 119 . 1 1 17 17 HIS CA C 13 56.781 0.000 . 1 . . . . A 17 HIS CA . 19162 1 120 . 1 1 17 17 HIS CB C 13 29.942 0.000 . 1 . . . . A 17 HIS CB . 19162 1 121 . 1 1 17 17 HIS N N 15 119.081 0.000 . 1 . . . . A 17 HIS N . 19162 1 122 . 1 1 18 18 GLY H H 1 8.607 0.000 . 1 . . . . A 18 GLY H . 19162 1 123 . 1 1 18 18 GLY C C 13 175.206 0.000 . 1 . . . . A 18 GLY C . 19162 1 124 . 1 1 18 18 GLY CA C 13 47.054 0.000 . 1 . . . . A 18 GLY CA . 19162 1 125 . 1 1 18 18 GLY N N 15 109.543 0.000 . 1 . . . . A 18 GLY N . 19162 1 126 . 1 1 19 19 PHE H H 1 8.716 0.000 . 1 . . . . A 19 PHE H . 19162 1 127 . 1 1 19 19 PHE C C 13 176.695 0.000 . 1 . . . . A 19 PHE C . 19162 1 128 . 1 1 19 19 PHE CA C 13 60.507 0.000 . 1 . . . . A 19 PHE CA . 19162 1 129 . 1 1 19 19 PHE CB C 13 38.638 0.000 . 1 . . . . A 19 PHE CB . 19162 1 130 . 1 1 19 19 PHE N N 15 120.640 0.000 . 1 . . . . A 19 PHE N . 19162 1 131 . 1 1 20 20 PHE H H 1 8.143 0.000 . 1 . . . . A 20 PHE H . 19162 1 132 . 1 1 20 20 PHE C C 13 176.617 0.000 . 1 . . . . A 20 PHE C . 19162 1 133 . 1 1 20 20 PHE CA C 13 61.334 0.000 . 1 . . . . A 20 PHE CA . 19162 1 134 . 1 1 20 20 PHE CB C 13 38.460 0.000 . 1 . . . . A 20 PHE CB . 19162 1 135 . 1 1 20 20 PHE N N 15 118.989 0.000 . 1 . . . . A 20 PHE N . 19162 1 136 . 1 1 21 21 TRP H H 1 7.911 0.000 . 1 . . . . A 21 TRP H . 19162 1 137 . 1 1 21 21 TRP C C 13 178.577 0.000 . 1 . . . . A 21 TRP C . 19162 1 138 . 1 1 21 21 TRP CA C 13 59.691 0.000 . 1 . . . . A 21 TRP CA . 19162 1 139 . 1 1 21 21 TRP CB C 13 29.636 0.000 . 1 . . . . A 21 TRP CB . 19162 1 140 . 1 1 21 21 TRP N N 15 118.897 0.000 . 1 . . . . A 21 TRP N . 19162 1 141 . 1 1 22 22 GLY H H 1 8.306 0.000 . 1 . . . . A 22 GLY H . 19162 1 142 . 1 1 22 22 GLY C C 13 174.657 0.000 . 1 . . . . A 22 GLY C . 19162 1 143 . 1 1 22 22 GLY CA C 13 47.261 0.000 . 1 . . . . A 22 GLY CA . 19162 1 144 . 1 1 22 22 GLY N N 15 105.692 0.000 . 1 . . . . A 22 GLY N . 19162 1 145 . 1 1 23 23 LEU H H 1 7.993 0.000 . 1 . . . . A 23 LEU H . 19162 1 146 . 1 1 23 23 LEU HD11 H 1 0.691 0.000 . 2 . . . . A 23 LEU HD11 . 19162 1 147 . 1 1 23 23 LEU HD12 H 1 0.691 0.000 . 2 . . . . A 23 LEU HD12 . 19162 1 148 . 1 1 23 23 LEU HD13 H 1 0.691 0.000 . 2 . . . . A 23 LEU HD13 . 19162 1 149 . 1 1 23 23 LEU HD21 H 1 0.685 0.000 . 2 . . . . A 23 LEU HD21 . 19162 1 150 . 1 1 23 23 LEU HD22 H 1 0.685 0.000 . 2 . . . . A 23 LEU HD22 . 19162 1 151 . 1 1 23 23 LEU HD23 H 1 0.685 0.000 . 2 . . . . A 23 LEU HD23 . 19162 1 152 . 1 1 23 23 LEU C C 13 179.752 0.000 . 1 . . . . A 23 LEU C . 19162 1 153 . 1 1 23 23 LEU CA C 13 57.402 0.000 . 1 . . . . A 23 LEU CA . 19162 1 154 . 1 1 23 23 LEU CB C 13 40.579 0.000 . 1 . . . . A 23 LEU CB . 19162 1 155 . 1 1 23 23 LEU CD1 C 13 24.429 0.000 . 2 . . . . A 23 LEU CD1 . 19162 1 156 . 1 1 23 23 LEU CD2 C 13 24.549 0.000 . 2 . . . . A 23 LEU CD2 . 19162 1 157 . 1 1 23 23 LEU N N 15 121.557 0.000 . 1 . . . . A 23 LEU N . 19162 1 158 . 1 1 24 24 LEU H H 1 8.047 0.000 . 1 . . . . A 24 LEU H . 19162 1 159 . 1 1 24 24 LEU HD11 H 1 0.668 0.000 . 2 . . . . A 24 LEU HD11 . 19162 1 160 . 1 1 24 24 LEU HD12 H 1 0.668 0.000 . 2 . . . . A 24 LEU HD12 . 19162 1 161 . 1 1 24 24 LEU HD13 H 1 0.668 0.000 . 2 . . . . A 24 LEU HD13 . 19162 1 162 . 1 1 24 24 LEU HD21 H 1 0.747 0.000 . 2 . . . . A 24 LEU HD21 . 19162 1 163 . 1 1 24 24 LEU HD22 H 1 0.747 0.000 . 2 . . . . A 24 LEU HD22 . 19162 1 164 . 1 1 24 24 LEU HD23 H 1 0.747 0.000 . 2 . . . . A 24 LEU HD23 . 19162 1 165 . 1 1 24 24 LEU C C 13 178.185 0.000 . 1 . . . . A 24 LEU C . 19162 1 166 . 1 1 24 24 LEU CA C 13 58.437 0.000 . 1 . . . . A 24 LEU CA . 19162 1 167 . 1 1 24 24 LEU CB C 13 40.439 0.000 . 1 . . . . A 24 LEU CB . 19162 1 168 . 1 1 24 24 LEU CD1 C 13 24.675 0.000 . 2 . . . . A 24 LEU CD1 . 19162 1 169 . 1 1 24 24 LEU CD2 C 13 24.802 0.000 . 2 . . . . A 24 LEU CD2 . 19162 1 170 . 1 1 24 24 LEU N N 15 122.382 0.000 . 1 . . . . A 24 LEU N . 19162 1 171 . 1 1 25 25 VAL H H 1 8.102 0.000 . 1 . . . . A 25 VAL H . 19162 1 172 . 1 1 25 25 VAL HG11 H 1 0.838 0.000 . 2 . . . . A 25 VAL HG11 . 19162 1 173 . 1 1 25 25 VAL HG12 H 1 0.838 0.000 . 2 . . . . A 25 VAL HG12 . 19162 1 174 . 1 1 25 25 VAL HG13 H 1 0.838 0.000 . 2 . . . . A 25 VAL HG13 . 19162 1 175 . 1 1 25 25 VAL HG21 H 1 1.005 0.000 . 2 . . . . A 25 VAL HG21 . 19162 1 176 . 1 1 25 25 VAL HG22 H 1 1.005 0.000 . 2 . . . . A 25 VAL HG22 . 19162 1 177 . 1 1 25 25 VAL HG23 H 1 1.005 0.000 . 2 . . . . A 25 VAL HG23 . 19162 1 178 . 1 1 25 25 VAL C C 13 177.636 0.000 . 1 . . . . A 25 VAL C . 19162 1 179 . 1 1 25 25 VAL CA C 13 67.129 0.000 . 1 . . . . A 25 VAL CA . 19162 1 180 . 1 1 25 25 VAL CB C 13 30.813 0.000 . 1 . . . . A 25 VAL CB . 19162 1 181 . 1 1 25 25 VAL CG1 C 13 21.512 0.000 . 2 . . . . A 25 VAL CG1 . 19162 1 182 . 1 1 25 25 VAL CG2 C 13 23.246 0.000 . 2 . . . . A 25 VAL CG2 . 19162 1 183 . 1 1 25 25 VAL N N 15 118.255 0.000 . 1 . . . . A 25 VAL N . 19162 1 184 . 1 1 26 26 VAL H H 1 8.088 0.000 . 1 . . . . A 26 VAL H . 19162 1 185 . 1 1 26 26 VAL HG11 H 1 0.845 0.000 . 2 . . . . A 26 VAL HG11 . 19162 1 186 . 1 1 26 26 VAL HG12 H 1 0.845 0.000 . 2 . . . . A 26 VAL HG12 . 19162 1 187 . 1 1 26 26 VAL HG13 H 1 0.845 0.000 . 2 . . . . A 26 VAL HG13 . 19162 1 188 . 1 1 26 26 VAL HG21 H 1 0.971 0.000 . 2 . . . . A 26 VAL HG21 . 19162 1 189 . 1 1 26 26 VAL HG22 H 1 0.971 0.000 . 2 . . . . A 26 VAL HG22 . 19162 1 190 . 1 1 26 26 VAL HG23 H 1 0.971 0.000 . 2 . . . . A 26 VAL HG23 . 19162 1 191 . 1 1 26 26 VAL C C 13 177.322 0.000 . 1 . . . . A 26 VAL C . 19162 1 192 . 1 1 26 26 VAL CA C 13 66.686 0.000 . 1 . . . . A 26 VAL CA . 19162 1 193 . 1 1 26 26 VAL CB C 13 30.653 0.000 . 1 . . . . A 26 VAL CB . 19162 1 194 . 1 1 26 26 VAL CG1 C 13 21.653 0.000 . 2 . . . . A 26 VAL CG1 . 19162 1 195 . 1 1 26 26 VAL CG2 C 13 22.973 0.000 . 2 . . . . A 26 VAL CG2 . 19162 1 196 . 1 1 26 26 VAL N N 15 118.072 0.000 . 1 . . . . A 26 VAL N . 19162 1 197 . 1 1 27 27 THR H H 1 8.047 0.000 . 1 . . . . A 27 THR H . 19162 1 198 . 1 1 27 27 THR HG21 H 1 1.163 0.000 . 1 . . . . A 27 THR HG21 . 19162 1 199 . 1 1 27 27 THR HG22 H 1 1.163 0.000 . 1 . . . . A 27 THR HG22 . 19162 1 200 . 1 1 27 27 THR HG23 H 1 1.163 0.000 . 1 . . . . A 27 THR HG23 . 19162 1 201 . 1 1 27 27 THR C C 13 177.322 0.000 . 1 . . . . A 27 THR C . 19162 1 202 . 1 1 27 27 THR CA C 13 67.750 0.000 . 1 . . . . A 27 THR CA . 19162 1 203 . 1 1 27 27 THR CG2 C 13 21.836 0.000 . 1 . . . . A 27 THR CG2 . 19162 1 204 . 1 1 27 27 THR N N 15 116.788 0.000 . 1 . . . . A 27 THR N . 19162 1 205 . 1 1 28 28 LEU H H 1 8.429 0.000 . 1 . . . . A 28 LEU H . 19162 1 206 . 1 1 28 28 LEU HD11 H 1 0.801 0.000 . 2 . . . . A 28 LEU HD11 . 19162 1 207 . 1 1 28 28 LEU HD12 H 1 0.801 0.000 . 2 . . . . A 28 LEU HD12 . 19162 1 208 . 1 1 28 28 LEU HD13 H 1 0.801 0.000 . 2 . . . . A 28 LEU HD13 . 19162 1 209 . 1 1 28 28 LEU HD21 H 1 0.769 0.000 . 2 . . . . A 28 LEU HD21 . 19162 1 210 . 1 1 28 28 LEU HD22 H 1 0.769 0.000 . 2 . . . . A 28 LEU HD22 . 19162 1 211 . 1 1 28 28 LEU HD23 H 1 0.769 0.000 . 2 . . . . A 28 LEU HD23 . 19162 1 212 . 1 1 28 28 LEU C C 13 178.499 0.000 . 1 . . . . A 28 LEU C . 19162 1 213 . 1 1 28 28 LEU CA C 13 58.230 0.000 . 1 . . . . A 28 LEU CA . 19162 1 214 . 1 1 28 28 LEU CB C 13 40.794 0.000 . 1 . . . . A 28 LEU CB . 19162 1 215 . 1 1 28 28 LEU CD1 C 13 24.704 0.000 . 2 . . . . A 28 LEU CD1 . 19162 1 216 . 1 1 28 28 LEU CD2 C 13 24.360 0.000 . 2 . . . . A 28 LEU CD2 . 19162 1 217 . 1 1 28 28 LEU N N 15 122.932 0.000 . 1 . . . . A 28 LEU N . 19162 1 218 . 1 1 29 29 ALA H H 1 8.607 0.000 . 1 . . . . A 29 ALA H . 19162 1 219 . 1 1 29 29 ALA HB1 H 1 1.437 0.000 . 1 . . . . A 29 ALA HB1 . 19162 1 220 . 1 1 29 29 ALA HB2 H 1 1.437 0.000 . 1 . . . . A 29 ALA HB2 . 19162 1 221 . 1 1 29 29 ALA HB3 H 1 1.437 0.000 . 1 . . . . A 29 ALA HB3 . 19162 1 222 . 1 1 29 29 ALA C C 13 178.890 0.000 . 1 . . . . A 29 ALA C . 19162 1 223 . 1 1 29 29 ALA CA C 13 55.333 0.000 . 1 . . . . A 29 ALA CA . 19162 1 224 . 1 1 29 29 ALA CB C 13 17.727 0.000 . 1 . . . . A 29 ALA CB . 19162 1 225 . 1 1 29 29 ALA N N 15 121.190 0.000 . 1 . . . . A 29 ALA N . 19162 1 226 . 1 1 30 30 TRP H H 1 8.538 0.000 . 1 . . . . A 30 TRP H . 19162 1 227 . 1 1 30 30 TRP C C 13 178.420 0.000 . 1 . . . . A 30 TRP C . 19162 1 228 . 1 1 30 30 TRP CA C 13 60.300 0.000 . 1 . . . . A 30 TRP CA . 19162 1 229 . 1 1 30 30 TRP CB C 13 28.937 0.000 . 1 . . . . A 30 TRP CB . 19162 1 230 . 1 1 30 30 TRP N N 15 118.622 0.000 . 1 . . . . A 30 TRP N . 19162 1 231 . 1 1 31 31 HIS H H 1 8.238 0.000 . 1 . . . . A 31 HIS H . 19162 1 232 . 1 1 31 31 HIS C C 13 177.949 0.000 . 1 . . . . A 31 HIS C . 19162 1 233 . 1 1 31 31 HIS CA C 13 59.886 0.000 . 1 . . . . A 31 HIS CA . 19162 1 234 . 1 1 31 31 HIS CB C 13 30.015 0.000 . 1 . . . . A 31 HIS CB . 19162 1 235 . 1 1 31 31 HIS N N 15 117.888 0.000 . 1 . . . . A 31 HIS N . 19162 1 236 . 1 1 32 32 VAL H H 1 8.429 0.000 . 1 . . . . A 32 VAL H . 19162 1 237 . 1 1 32 32 VAL HG11 H 1 0.882 0.000 . 2 . . . . A 32 VAL HG11 . 19162 1 238 . 1 1 32 32 VAL HG12 H 1 0.882 0.000 . 2 . . . . A 32 VAL HG12 . 19162 1 239 . 1 1 32 32 VAL HG13 H 1 0.882 0.000 . 2 . . . . A 32 VAL HG13 . 19162 1 240 . 1 1 32 32 VAL C C 13 177.401 0.000 . 1 . . . . A 32 VAL C . 19162 1 241 . 1 1 32 32 VAL CA C 13 64.853 0.000 . 1 . . . . A 32 VAL CA . 19162 1 242 . 1 1 32 32 VAL CB C 13 30.877 0.000 . 1 . . . . A 32 VAL CB . 19162 1 243 . 1 1 32 32 VAL CG1 C 13 21.919 0.000 . 2 . . . . A 32 VAL CG1 . 19162 1 244 . 1 1 32 32 VAL N N 15 116.788 0.000 . 1 . . . . A 32 VAL N . 19162 1 245 . 1 1 33 33 LYS H H 1 8.047 0.000 . 1 . . . . A 33 LYS H . 19162 1 246 . 1 1 33 33 LYS C C 13 177.636 0.000 . 1 . . . . A 33 LYS C . 19162 1 247 . 1 1 33 33 LYS CA C 13 58.851 0.000 . 1 . . . . A 33 LYS CA . 19162 1 248 . 1 1 33 33 LYS CB C 13 31.134 0.000 . 1 . . . . A 33 LYS CB . 19162 1 249 . 1 1 33 33 LYS N N 15 120.548 0.000 . 1 . . . . A 33 LYS N . 19162 1 250 . 1 1 34 34 GLY H H 1 7.938 0.000 . 1 . . . . A 34 GLY H . 19162 1 251 . 1 1 34 34 GLY C C 13 174.814 0.000 . 1 . . . . A 34 GLY C . 19162 1 252 . 1 1 34 34 GLY CA C 13 46.019 0.000 . 1 . . . . A 34 GLY CA . 19162 1 253 . 1 1 34 34 GLY N N 15 106.701 0.000 . 1 . . . . A 34 GLY N . 19162 1 254 . 1 1 35 35 ARG H H 1 7.624 0.000 . 1 . . . . A 35 ARG H . 19162 1 255 . 1 1 35 35 ARG C C 13 176.460 0.000 . 1 . . . . A 35 ARG C . 19162 1 256 . 1 1 35 35 ARG CA C 13 55.954 0.000 . 1 . . . . A 35 ARG CA . 19162 1 257 . 1 1 35 35 ARG CB C 13 29.799 0.000 . 1 . . . . A 35 ARG CB . 19162 1 258 . 1 1 35 35 ARG N N 15 118.164 0.000 . 1 . . . . A 35 ARG N . 19162 1 259 . 1 1 36 36 LEU H H 1 7.720 0.000 . 1 . . . . A 36 LEU H . 19162 1 260 . 1 1 36 36 LEU HD11 H 1 0.808 0.000 . 2 . . . . A 36 LEU HD11 . 19162 1 261 . 1 1 36 36 LEU HD12 H 1 0.808 0.000 . 2 . . . . A 36 LEU HD12 . 19162 1 262 . 1 1 36 36 LEU HD13 H 1 0.808 0.000 . 2 . . . . A 36 LEU HD13 . 19162 1 263 . 1 1 36 36 LEU HD21 H 1 0.773 0.000 . 2 . . . . A 36 LEU HD21 . 19162 1 264 . 1 1 36 36 LEU HD22 H 1 0.773 0.000 . 2 . . . . A 36 LEU HD22 . 19162 1 265 . 1 1 36 36 LEU HD23 H 1 0.773 0.000 . 2 . . . . A 36 LEU HD23 . 19162 1 266 . 1 1 36 36 LEU C C 13 176.539 0.000 . 1 . . . . A 36 LEU C . 19162 1 267 . 1 1 36 36 LEU CA C 13 55.540 0.000 . 1 . . . . A 36 LEU CA . 19162 1 268 . 1 1 36 36 LEU CB C 13 42.303 0.000 . 1 . . . . A 36 LEU CB . 19162 1 269 . 1 1 36 36 LEU CD1 C 13 25.674 0.000 . 2 . . . . A 36 LEU CD1 . 19162 1 270 . 1 1 36 36 LEU CD2 C 13 23.495 0.000 . 2 . . . . A 36 LEU CD2 . 19162 1 271 . 1 1 36 36 LEU N N 15 118.897 0.000 . 1 . . . . A 36 LEU N . 19162 1 272 . 1 1 37 37 VAL H H 1 7.911 0.000 . 1 . . . . A 37 VAL H . 19162 1 273 . 1 1 37 37 VAL HG11 H 1 0.878 0.000 . 2 . . . . A 37 VAL HG11 . 19162 1 274 . 1 1 37 37 VAL HG12 H 1 0.878 0.000 . 2 . . . . A 37 VAL HG12 . 19162 1 275 . 1 1 37 37 VAL HG13 H 1 0.878 0.000 . 2 . . . . A 37 VAL HG13 . 19162 1 276 . 1 1 37 37 VAL HG21 H 1 0.878 0.000 . 2 . . . . A 37 VAL HG21 . 19162 1 277 . 1 1 37 37 VAL HG22 H 1 0.878 0.000 . 2 . . . . A 37 VAL HG22 . 19162 1 278 . 1 1 37 37 VAL HG23 H 1 0.878 0.000 . 2 . . . . A 37 VAL HG23 . 19162 1 279 . 1 1 37 37 VAL C C 13 173.804 0.000 . 1 . . . . A 37 VAL C . 19162 1 280 . 1 1 37 37 VAL CA C 13 59.472 0.000 . 1 . . . . A 37 VAL CA . 19162 1 281 . 1 1 37 37 VAL CB C 13 31.722 0.000 . 1 . . . . A 37 VAL CB . 19162 1 282 . 1 1 37 37 VAL CG1 C 13 21.937 0.000 . 2 . . . . A 37 VAL CG1 . 19162 1 283 . 1 1 37 37 VAL CG2 C 13 20.823 0.000 . 2 . . . . A 37 VAL CG2 . 19162 1 284 . 1 1 37 37 VAL N N 15 118.530 0.000 . 1 . . . . A 37 VAL N . 19162 1 285 . 1 1 38 38 PRO C C 13 177.636 0.000 . 1 . . . . A 38 PRO C . 19162 1 286 . 1 1 38 38 PRO CA C 13 63.611 0.000 . 1 . . . . A 38 PRO CA . 19162 1 287 . 1 1 38 38 PRO CB C 13 31.093 0.000 . 1 . . . . A 38 PRO CB . 19162 1 288 . 1 1 39 39 GLY H H 1 8.525 0.000 . 1 . . . . A 39 GLY H . 19162 1 289 . 1 1 39 39 GLY C C 13 174.422 0.000 . 1 . . . . A 39 GLY C . 19162 1 290 . 1 1 39 39 GLY CA C 13 45.192 0.000 . 1 . . . . A 39 GLY CA . 19162 1 291 . 1 1 39 39 GLY N N 15 109.268 0.000 . 1 . . . . A 39 GLY N . 19162 1 292 . 1 1 40 40 ALA H H 1 7.965 0.000 . 1 . . . . A 40 ALA H . 19162 1 293 . 1 1 40 40 ALA HB1 H 1 1.327 0.000 . 1 . . . . A 40 ALA HB1 . 19162 1 294 . 1 1 40 40 ALA HB2 H 1 1.327 0.000 . 1 . . . . A 40 ALA HB2 . 19162 1 295 . 1 1 40 40 ALA HB3 H 1 1.327 0.000 . 1 . . . . A 40 ALA HB3 . 19162 1 296 . 1 1 40 40 ALA C C 13 178.028 0.000 . 1 . . . . A 40 ALA C . 19162 1 297 . 1 1 40 40 ALA CA C 13 52.642 0.000 . 1 . . . . A 40 ALA CA . 19162 1 298 . 1 1 40 40 ALA CB C 13 18.804 0.000 . 1 . . . . A 40 ALA CB . 19162 1 299 . 1 1 40 40 ALA N N 15 123.391 0.000 . 1 . . . . A 40 ALA N . 19162 1 300 . 1 1 41 41 THR H H 1 8.115 0.000 . 1 . . . . A 41 THR H . 19162 1 301 . 1 1 41 41 THR HG21 H 1 1.108 0.000 . 1 . . . . A 41 THR HG21 . 19162 1 302 . 1 1 41 41 THR HG22 H 1 1.108 0.000 . 1 . . . . A 41 THR HG22 . 19162 1 303 . 1 1 41 41 THR HG23 H 1 1.108 0.000 . 1 . . . . A 41 THR HG23 . 19162 1 304 . 1 1 41 41 THR C C 13 175.363 0.000 . 1 . . . . A 41 THR C . 19162 1 305 . 1 1 41 41 THR CA C 13 62.162 0.000 . 1 . . . . A 41 THR CA . 19162 1 306 . 1 1 41 41 THR CB C 13 69.467 0.000 . 1 . . . . A 41 THR CB . 19162 1 307 . 1 1 41 41 THR CG2 C 13 21.635 0.000 . 1 . . . . A 41 THR CG2 . 19162 1 308 . 1 1 41 41 THR N N 15 113.028 0.000 . 1 . . . . A 41 THR N . 19162 1 309 . 1 1 42 42 TYR H H 1 8.429 0.000 . 1 . . . . A 42 TYR H . 19162 1 310 . 1 1 42 42 TYR C C 13 176.303 0.000 . 1 . . . . A 42 TYR C . 19162 1 311 . 1 1 42 42 TYR CA C 13 59.473 0.000 . 1 . . . . A 42 TYR CA . 19162 1 312 . 1 1 42 42 TYR CB C 13 37.992 0.000 . 1 . . . . A 42 TYR CB . 19162 1 313 . 1 1 42 42 TYR N N 15 121.373 0.000 . 1 . . . . A 42 TYR N . 19162 1 314 . 1 1 43 43 LEU H H 1 7.899 0.000 . 1 . . . . A 43 LEU H . 19162 1 315 . 1 1 43 43 LEU HD11 H 1 0.768 0.000 . 2 . . . . A 43 LEU HD11 . 19162 1 316 . 1 1 43 43 LEU HD12 H 1 0.768 0.000 . 2 . . . . A 43 LEU HD12 . 19162 1 317 . 1 1 43 43 LEU HD13 H 1 0.768 0.000 . 2 . . . . A 43 LEU HD13 . 19162 1 318 . 1 1 43 43 LEU HD21 H 1 0.823 0.000 . 2 . . . . A 43 LEU HD21 . 19162 1 319 . 1 1 43 43 LEU HD22 H 1 0.823 0.000 . 2 . . . . A 43 LEU HD22 . 19162 1 320 . 1 1 43 43 LEU HD23 H 1 0.823 0.000 . 2 . . . . A 43 LEU HD23 . 19162 1 321 . 1 1 43 43 LEU C C 13 177.405 0.000 . 1 . . . . A 43 LEU C . 19162 1 322 . 1 1 43 43 LEU CA C 13 55.540 0.000 . 1 . . . . A 43 LEU CA . 19162 1 323 . 1 1 43 43 LEU CB C 13 41.455 0.000 . 1 . . . . A 43 LEU CB . 19162 1 324 . 1 1 43 43 LEU CD1 C 13 23.856 0.000 . 2 . . . . A 43 LEU CD1 . 19162 1 325 . 1 1 43 43 LEU CD2 C 13 25.343 0.000 . 2 . . . . A 43 LEU CD2 . 19162 1 326 . 1 1 43 43 LEU N N 15 119.906 0.000 . 1 . . . . A 43 LEU N . 19162 1 327 . 1 1 44 44 SER H H 1 7.979 0.000 . 1 . . . . A 44 SER H . 19162 1 328 . 1 1 44 44 SER C C 13 175.049 0.000 . 1 . . . . A 44 SER C . 19162 1 329 . 1 1 44 44 SER CA C 13 59.058 0.000 . 1 . . . . A 44 SER CA . 19162 1 330 . 1 1 44 44 SER CB C 13 63.649 0.000 . 1 . . . . A 44 SER CB . 19162 1 331 . 1 1 44 44 SER N N 15 115.779 0.000 . 1 . . . . A 44 SER N . 19162 1 332 . 1 1 45 45 LEU H H 1 8.211 0.000 . 1 . . . . A 45 LEU H . 19162 1 333 . 1 1 45 45 LEU HD11 H 1 0.845 0.000 . 2 . . . . A 45 LEU HD11 . 19162 1 334 . 1 1 45 45 LEU HD12 H 1 0.845 0.000 . 2 . . . . A 45 LEU HD12 . 19162 1 335 . 1 1 45 45 LEU HD13 H 1 0.845 0.000 . 2 . . . . A 45 LEU HD13 . 19162 1 336 . 1 1 45 45 LEU HD21 H 1 0.767 0.000 . 2 . . . . A 45 LEU HD21 . 19162 1 337 . 1 1 45 45 LEU HD22 H 1 0.767 0.000 . 2 . . . . A 45 LEU HD22 . 19162 1 338 . 1 1 45 45 LEU HD23 H 1 0.767 0.000 . 2 . . . . A 45 LEU HD23 . 19162 1 339 . 1 1 45 45 LEU C C 13 177.322 0.000 . 1 . . . . A 45 LEU C . 19162 1 340 . 1 1 45 45 LEU CA C 13 55.747 0.000 . 1 . . . . A 45 LEU CA . 19162 1 341 . 1 1 45 45 LEU CB C 13 41.441 0.000 . 1 . . . . A 45 LEU CB . 19162 1 342 . 1 1 45 45 LEU CD1 C 13 25.750 0.000 . 2 . . . . A 45 LEU CD1 . 19162 1 343 . 1 1 45 45 LEU CD2 C 13 23.540 0.000 . 2 . . . . A 45 LEU CD2 . 19162 1 344 . 1 1 45 45 LEU N N 15 122.199 0.000 . 1 . . . . A 45 LEU N . 19162 1 345 . 1 1 46 46 GLY H H 1 8.129 0.000 . 1 . . . . A 46 GLY H . 19162 1 346 . 1 1 46 46 GLY C C 13 174.422 0.000 . 1 . . . . A 46 GLY C . 19162 1 347 . 1 1 46 46 GLY CA C 13 45.812 0.000 . 1 . . . . A 46 GLY CA . 19162 1 348 . 1 1 46 46 GLY N N 15 105.325 0.000 . 1 . . . . A 46 GLY N . 19162 1 349 . 1 1 47 47 VAL H H 1 7.897 0.000 . 1 . . . . A 47 VAL H . 19162 1 350 . 1 1 47 47 VAL HG11 H 1 0.710 0.000 . 2 . . . . A 47 VAL HG11 . 19162 1 351 . 1 1 47 47 VAL HG12 H 1 0.710 0.000 . 2 . . . . A 47 VAL HG12 . 19162 1 352 . 1 1 47 47 VAL HG13 H 1 0.710 0.000 . 2 . . . . A 47 VAL HG13 . 19162 1 353 . 1 1 47 47 VAL HG21 H 1 0.714 0.000 . 2 . . . . A 47 VAL HG21 . 19162 1 354 . 1 1 47 47 VAL HG22 H 1 0.714 0.000 . 2 . . . . A 47 VAL HG22 . 19162 1 355 . 1 1 47 47 VAL HG23 H 1 0.714 0.000 . 2 . . . . A 47 VAL HG23 . 19162 1 356 . 1 1 47 47 VAL C C 13 177.087 0.000 . 1 . . . . A 47 VAL C . 19162 1 357 . 1 1 47 47 VAL CA C 13 62.783 0.000 . 1 . . . . A 47 VAL CA . 19162 1 358 . 1 1 47 47 VAL CB C 13 31.524 0.000 . 1 . . . . A 47 VAL CB . 19162 1 359 . 1 1 47 47 VAL CG1 C 13 20.924 0.000 . 2 . . . . A 47 VAL CG1 . 19162 1 360 . 1 1 47 47 VAL CG2 C 13 20.411 0.000 . 2 . . . . A 47 VAL CG2 . 19162 1 361 . 1 1 47 47 VAL N N 15 117.063 0.000 . 1 . . . . A 47 VAL N . 19162 1 362 . 1 1 48 48 TRP H H 1 7.938 0.000 . 1 . . . . A 48 TRP H . 19162 1 363 . 1 1 48 48 TRP C C 13 175.284 0.000 . 1 . . . . A 48 TRP C . 19162 1 364 . 1 1 48 48 TRP CA C 13 60.921 0.000 . 1 . . . . A 48 TRP CA . 19162 1 365 . 1 1 48 48 TRP CB C 13 27.644 0.000 . 1 . . . . A 48 TRP CB . 19162 1 366 . 1 1 48 48 TRP N N 15 121.465 0.000 . 1 . . . . A 48 TRP N . 19162 1 367 . 1 1 49 49 PRO C C 13 177.610 0.000 . 1 . . . . A 49 PRO C . 19162 1 368 . 1 1 49 49 PRO CA C 13 65.888 0.000 . 1 . . . . A 49 PRO CA . 19162 1 369 . 1 1 49 49 PRO CB C 13 30.599 0.000 . 1 . . . . A 49 PRO CB . 19162 1 370 . 1 1 50 50 LEU H H 1 7.215 0.000 . 1 . . . . A 50 LEU H . 19162 1 371 . 1 1 50 50 LEU HD11 H 1 0.887 0.000 . 2 . . . . A 50 LEU HD11 . 19162 1 372 . 1 1 50 50 LEU HD12 H 1 0.887 0.000 . 2 . . . . A 50 LEU HD12 . 19162 1 373 . 1 1 50 50 LEU HD13 H 1 0.887 0.000 . 2 . . . . A 50 LEU HD13 . 19162 1 374 . 1 1 50 50 LEU HD21 H 1 0.830 0.000 . 2 . . . . A 50 LEU HD21 . 19162 1 375 . 1 1 50 50 LEU HD22 H 1 0.830 0.000 . 2 . . . . A 50 LEU HD22 . 19162 1 376 . 1 1 50 50 LEU HD23 H 1 0.830 0.000 . 2 . . . . A 50 LEU HD23 . 19162 1 377 . 1 1 50 50 LEU C C 13 179.125 0.000 . 1 . . . . A 50 LEU C . 19162 1 378 . 1 1 50 50 LEU CA C 13 57.195 0.000 . 1 . . . . A 50 LEU CA . 19162 1 379 . 1 1 50 50 LEU CB C 13 40.579 0.000 . 1 . . . . A 50 LEU CB . 19162 1 380 . 1 1 50 50 LEU CD1 C 13 24.936 0.000 . 2 . . . . A 50 LEU CD1 . 19162 1 381 . 1 1 50 50 LEU CD2 C 13 23.894 0.000 . 2 . . . . A 50 LEU CD2 . 19162 1 382 . 1 1 50 50 LEU N N 15 115.596 0.000 . 1 . . . . A 50 LEU N . 19162 1 383 . 1 1 51 51 LEU H H 1 7.856 0.000 . 1 . . . . A 51 LEU H . 19162 1 384 . 1 1 51 51 LEU HD11 H 1 0.745 0.000 . 2 . . . . A 51 LEU HD11 . 19162 1 385 . 1 1 51 51 LEU HD12 H 1 0.745 0.000 . 2 . . . . A 51 LEU HD12 . 19162 1 386 . 1 1 51 51 LEU HD13 H 1 0.745 0.000 . 2 . . . . A 51 LEU HD13 . 19162 1 387 . 1 1 51 51 LEU HD21 H 1 0.778 0.000 . 2 . . . . A 51 LEU HD21 . 19162 1 388 . 1 1 51 51 LEU HD22 H 1 0.778 0.000 . 2 . . . . A 51 LEU HD22 . 19162 1 389 . 1 1 51 51 LEU HD23 H 1 0.778 0.000 . 2 . . . . A 51 LEU HD23 . 19162 1 390 . 1 1 51 51 LEU C C 13 178.812 0.000 . 1 . . . . A 51 LEU C . 19162 1 391 . 1 1 51 51 LEU CA C 13 57.402 0.000 . 1 . . . . A 51 LEU CA . 19162 1 392 . 1 1 51 51 LEU CB C 13 41.027 0.000 . 1 . . . . A 51 LEU CB . 19162 1 393 . 1 1 51 51 LEU CD1 C 13 25.198 0.000 . 2 . . . . A 51 LEU CD1 . 19162 1 394 . 1 1 51 51 LEU CD2 C 13 23.967 0.000 . 2 . . . . A 51 LEU CD2 . 19162 1 395 . 1 1 51 51 LEU N N 15 119.906 0.000 . 1 . . . . A 51 LEU N . 19162 1 396 . 1 1 52 52 LEU H H 1 7.965 0.000 . 1 . . . . A 52 LEU H . 19162 1 397 . 1 1 52 52 LEU HD11 H 1 0.887 0.000 . 2 . . . . A 52 LEU HD11 . 19162 1 398 . 1 1 52 52 LEU HD12 H 1 0.887 0.000 . 2 . . . . A 52 LEU HD12 . 19162 1 399 . 1 1 52 52 LEU HD13 H 1 0.887 0.000 . 2 . . . . A 52 LEU HD13 . 19162 1 400 . 1 1 52 52 LEU HD21 H 1 0.833 0.000 . 2 . . . . A 52 LEU HD21 . 19162 1 401 . 1 1 52 52 LEU HD22 H 1 0.833 0.000 . 2 . . . . A 52 LEU HD22 . 19162 1 402 . 1 1 52 52 LEU HD23 H 1 0.833 0.000 . 2 . . . . A 52 LEU HD23 . 19162 1 403 . 1 1 52 52 LEU C C 13 178.655 0.000 . 1 . . . . A 52 LEU C . 19162 1 404 . 1 1 52 52 LEU CA C 13 57.753 0.000 . 1 . . . . A 52 LEU CA . 19162 1 405 . 1 1 52 52 LEU CB C 13 40.974 0.000 . 1 . . . . A 52 LEU CB . 19162 1 406 . 1 1 52 52 LEU CD1 C 13 24.926 0.000 . 2 . . . . A 52 LEU CD1 . 19162 1 407 . 1 1 52 52 LEU CD2 C 13 24.298 0.000 . 2 . . . . A 52 LEU CD2 . 19162 1 408 . 1 1 52 52 LEU N N 15 117.980 0.000 . 1 . . . . A 52 LEU N . 19162 1 409 . 1 1 53 53 VAL H H 1 7.774 0.000 . 1 . . . . A 53 VAL H . 19162 1 410 . 1 1 53 53 VAL HG11 H 1 0.930 0.000 . 2 . . . . A 53 VAL HG11 . 19162 1 411 . 1 1 53 53 VAL HG12 H 1 0.930 0.000 . 2 . . . . A 53 VAL HG12 . 19162 1 412 . 1 1 53 53 VAL HG13 H 1 0.930 0.000 . 2 . . . . A 53 VAL HG13 . 19162 1 413 . 1 1 53 53 VAL HG21 H 1 1.040 0.000 . 2 . . . . A 53 VAL HG21 . 19162 1 414 . 1 1 53 53 VAL HG22 H 1 1.040 0.000 . 2 . . . . A 53 VAL HG22 . 19162 1 415 . 1 1 53 53 VAL HG23 H 1 1.040 0.000 . 2 . . . . A 53 VAL HG23 . 19162 1 416 . 1 1 53 53 VAL C C 13 177.636 0.000 . 1 . . . . A 53 VAL C . 19162 1 417 . 1 1 53 53 VAL CA C 13 66.302 0.000 . 1 . . . . A 53 VAL CA . 19162 1 418 . 1 1 53 53 VAL CB C 13 30.877 0.000 . 1 . . . . A 53 VAL CB . 19162 1 419 . 1 1 53 53 VAL CG1 C 13 21.649 0.000 . 2 . . . . A 53 VAL CG1 . 19162 1 420 . 1 1 53 53 VAL CG2 C 13 23.131 0.000 . 2 . . . . A 53 VAL CG2 . 19162 1 421 . 1 1 53 53 VAL N N 15 117.063 0.000 . 1 . . . . A 53 VAL N . 19162 1 422 . 1 1 54 54 ARG H H 1 7.665 0.000 . 1 . . . . A 54 ARG H . 19162 1 423 . 1 1 54 54 ARG C C 13 178.263 0.000 . 1 . . . . A 54 ARG C . 19162 1 424 . 1 1 54 54 ARG CA C 13 58.230 0.000 . 1 . . . . A 54 ARG CA . 19162 1 425 . 1 1 54 54 ARG CB C 13 29.368 0.000 . 1 . . . . A 54 ARG CB . 19162 1 426 . 1 1 54 54 ARG N N 15 118.439 0.000 . 1 . . . . A 54 ARG N . 19162 1 427 . 1 1 55 55 LEU H H 1 7.789 0.000 . 1 . . . . A 55 LEU H . 19162 1 428 . 1 1 55 55 LEU HD11 H 1 0.852 0.000 . 2 . . . . A 55 LEU HD11 . 19162 1 429 . 1 1 55 55 LEU HD12 H 1 0.852 0.000 . 2 . . . . A 55 LEU HD12 . 19162 1 430 . 1 1 55 55 LEU HD13 H 1 0.852 0.000 . 2 . . . . A 55 LEU HD13 . 19162 1 431 . 1 1 55 55 LEU HD21 H 1 0.830 0.000 . 2 . . . . A 55 LEU HD21 . 19162 1 432 . 1 1 55 55 LEU HD22 H 1 0.830 0.000 . 2 . . . . A 55 LEU HD22 . 19162 1 433 . 1 1 55 55 LEU HD23 H 1 0.830 0.000 . 2 . . . . A 55 LEU HD23 . 19162 1 434 . 1 1 55 55 LEU C C 13 177.649 0.000 . 1 . . . . A 55 LEU C . 19162 1 435 . 1 1 55 55 LEU CA C 13 56.521 0.000 . 1 . . . . A 55 LEU CA . 19162 1 436 . 1 1 55 55 LEU CB C 13 42.097 0.000 . 1 . . . . A 55 LEU CB . 19162 1 437 . 1 1 55 55 LEU CD1 C 13 25.423 0.000 . 2 . . . . A 55 LEU CD1 . 19162 1 438 . 1 1 55 55 LEU CD2 C 13 23.894 0.000 . 2 . . . . A 55 LEU CD2 . 19162 1 439 . 1 1 55 55 LEU N N 15 117.888 0.000 . 1 . . . . A 55 LEU N . 19162 1 440 . 1 1 56 56 LEU H H 1 7.693 0.000 . 1 . . . . A 56 LEU H . 19162 1 441 . 1 1 56 56 LEU HD11 H 1 0.803 0.000 . 2 . . . . A 56 LEU HD11 . 19162 1 442 . 1 1 56 56 LEU HD12 H 1 0.803 0.000 . 2 . . . . A 56 LEU HD12 . 19162 1 443 . 1 1 56 56 LEU HD13 H 1 0.803 0.000 . 2 . . . . A 56 LEU HD13 . 19162 1 444 . 1 1 56 56 LEU HD21 H 1 0.779 0.000 . 2 . . . . A 56 LEU HD21 . 19162 1 445 . 1 1 56 56 LEU HD22 H 1 0.779 0.000 . 2 . . . . A 56 LEU HD22 . 19162 1 446 . 1 1 56 56 LEU HD23 H 1 0.779 0.000 . 2 . . . . A 56 LEU HD23 . 19162 1 447 . 1 1 56 56 LEU C C 13 176.930 0.000 . 1 . . . . A 56 LEU C . 19162 1 448 . 1 1 56 56 LEU CA C 13 55.333 0.000 . 1 . . . . A 56 LEU CA . 19162 1 449 . 1 1 56 56 LEU CB C 13 41.990 0.000 . 1 . . . . A 56 LEU CB . 19162 1 450 . 1 1 56 56 LEU CD1 C 13 25.757 0.000 . 2 . . . . A 56 LEU CD1 . 19162 1 451 . 1 1 56 56 LEU CD2 C 13 23.246 0.000 . 2 . . . . A 56 LEU CD2 . 19162 1 452 . 1 1 56 56 LEU N N 15 116.146 0.000 . 1 . . . . A 56 LEU N . 19162 1 453 . 1 1 57 57 ARG H H 1 7.856 0.000 . 1 . . . . A 57 ARG H . 19162 1 454 . 1 1 57 57 ARG C C 13 173.795 0.000 . 1 . . . . A 57 ARG C . 19162 1 455 . 1 1 57 57 ARG CA C 13 54.919 0.000 . 1 . . . . A 57 ARG CA . 19162 1 456 . 1 1 57 57 ARG CB C 13 29.153 0.000 . 1 . . . . A 57 ARG CB . 19162 1 457 . 1 1 57 57 ARG N N 15 118.897 0.000 . 1 . . . . A 57 ARG N . 19162 1 458 . 1 1 58 58 PRO C C 13 177.009 0.000 . 1 . . . . A 58 PRO C . 19162 1 459 . 1 1 58 58 PRO CA C 13 63.611 0.000 . 1 . . . . A 58 PRO CA . 19162 1 460 . 1 1 58 58 PRO CB C 13 31.027 0.000 . 1 . . . . A 58 PRO CB . 19162 1 461 . 1 1 59 59 HIS H H 1 8.375 0.000 . 1 . . . . A 59 HIS H . 19162 1 462 . 1 1 59 59 HIS C C 13 175.520 0.000 . 1 . . . . A 59 HIS C . 19162 1 463 . 1 1 59 59 HIS CA C 13 56.574 0.000 . 1 . . . . A 59 HIS CA . 19162 1 464 . 1 1 59 59 HIS CB C 13 30.446 0.000 . 1 . . . . A 59 HIS CB . 19162 1 465 . 1 1 59 59 HIS N N 15 119.264 0.000 . 1 . . . . A 59 HIS N . 19162 1 466 . 1 1 60 60 ARG H H 1 7.980 0.000 . 1 . . . . A 60 ARG H . 19162 1 467 . 1 1 60 60 ARG C C 13 175.598 0.000 . 1 . . . . A 60 ARG C . 19162 1 468 . 1 1 60 60 ARG CA C 13 55.751 0.000 . 1 . . . . A 60 ARG CA . 19162 1 469 . 1 1 60 60 ARG CB C 13 30.064 0.000 . 1 . . . . A 60 ARG CB . 19162 1 470 . 1 1 60 60 ARG N N 15 122.382 0.000 . 1 . . . . A 60 ARG N . 19162 1 471 . 1 1 61 61 ALA H H 1 8.320 0.000 . 1 . . . . A 61 ALA H . 19162 1 472 . 1 1 61 61 ALA HB1 H 1 1.348 0.000 . 1 . . . . A 61 ALA HB1 . 19162 1 473 . 1 1 61 61 ALA HB2 H 1 1.348 0.000 . 1 . . . . A 61 ALA HB2 . 19162 1 474 . 1 1 61 61 ALA HB3 H 1 1.348 0.000 . 1 . . . . A 61 ALA HB3 . 19162 1 475 . 1 1 61 61 ALA C C 13 177.401 0.000 . 1 . . . . A 61 ALA C . 19162 1 476 . 1 1 61 61 ALA CA C 13 52.228 0.000 . 1 . . . . A 61 ALA CA . 19162 1 477 . 1 1 61 61 ALA CB C 13 18.804 0.000 . 1 . . . . A 61 ALA CB . 19162 1 478 . 1 1 61 61 ALA N N 15 125.041 0.000 . 1 . . . . A 61 ALA N . 19162 1 479 . 1 1 62 62 LEU H H 1 8.115 0.000 . 1 . . . . A 62 LEU H . 19162 1 480 . 1 1 62 62 LEU HD11 H 1 0.862 0.000 . 2 . . . . A 62 LEU HD11 . 19162 1 481 . 1 1 62 62 LEU HD12 H 1 0.862 0.000 . 2 . . . . A 62 LEU HD12 . 19162 1 482 . 1 1 62 62 LEU HD13 H 1 0.862 0.000 . 2 . . . . A 62 LEU HD13 . 19162 1 483 . 1 1 62 62 LEU HD21 H 1 0.802 0.000 . 2 . . . . A 62 LEU HD21 . 19162 1 484 . 1 1 62 62 LEU HD22 H 1 0.802 0.000 . 2 . . . . A 62 LEU HD22 . 19162 1 485 . 1 1 62 62 LEU HD23 H 1 0.802 0.000 . 2 . . . . A 62 LEU HD23 . 19162 1 486 . 1 1 62 62 LEU C C 13 175.911 0.000 . 1 . . . . A 62 LEU C . 19162 1 487 . 1 1 62 62 LEU CA C 13 54.919 0.000 . 1 . . . . A 62 LEU CA . 19162 1 488 . 1 1 62 62 LEU CB C 13 41.657 0.000 . 1 . . . . A 62 LEU CB . 19162 1 489 . 1 1 62 62 LEU CD1 C 13 25.325 0.000 . 2 . . . . A 62 LEU CD1 . 19162 1 490 . 1 1 62 62 LEU CD2 C 13 23.485 0.000 . 2 . . . . A 62 LEU CD2 . 19162 1 491 . 1 1 62 62 LEU N N 15 121.281 0.000 . 1 . . . . A 62 LEU N . 19162 1 492 . 1 1 63 63 ALA H H 1 7.639 0.000 . 1 . . . . A 63 ALA H . 19162 1 493 . 1 1 63 63 ALA HB1 H 1 1.252 0.000 . 1 . . . . A 63 ALA HB1 . 19162 1 494 . 1 1 63 63 ALA HB2 H 1 1.252 0.000 . 1 . . . . A 63 ALA HB2 . 19162 1 495 . 1 1 63 63 ALA HB3 H 1 1.252 0.000 . 1 . . . . A 63 ALA HB3 . 19162 1 496 . 1 1 63 63 ALA C C 13 172.086 0.000 . 1 . . . . A 63 ALA C . 19162 1 497 . 1 1 63 63 ALA CA C 13 53.470 0.000 . 1 . . . . A 63 ALA CA . 19162 1 498 . 1 1 63 63 ALA CB C 13 19.882 0.000 . 1 . . . . A 63 ALA CB . 19162 1 499 . 1 1 63 63 ALA N N 15 105.784 0.000 . 1 . . . . A 63 ALA N . 19162 1 stop_ save_