################################### # 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 52569 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name shift_list_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 $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' . . . 52569 1 2 '3D HNCACB' . . . 52569 1 3 '3D HN(CO)CACB' . . . 52569 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 3 $software_3 . . 52569 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 1 1 MET CA C 13 54.303 0.000 . 1 . . . . . 1 MET CA . 52569 1 2 . 1 . 1 1 1 MET CB C 13 32.754 0.000 . 1 . . . . . 1 MET CB . 52569 1 3 . 1 . 1 2 2 GLN H H 1 10.452 0.006 . 1 . . . . . 2 GLN H . 52569 1 4 . 1 . 1 2 2 GLN CA C 13 59.360 0.015 . 1 . . . . . 2 GLN CA . 52569 1 5 . 1 . 1 2 2 GLN CB C 13 26.776 0.057 . 1 . . . . . 2 GLN CB . 52569 1 6 . 1 . 1 2 2 GLN N N 15 129.280 0.022 . 1 . . . . . 2 GLN N . 52569 1 7 . 1 . 1 3 3 PHE H H 1 9.481 0.001 . 1 . . . . . 3 PHE H . 52569 1 8 . 1 . 1 3 3 PHE CA C 13 58.791 0.161 . 1 . . . . . 3 PHE CA . 52569 1 9 . 1 . 1 3 3 PHE CB C 13 35.296 0.039 . 1 . . . . . 3 PHE CB . 52569 1 10 . 1 . 1 3 3 PHE N N 15 116.358 0.018 . 1 . . . . . 3 PHE N . 52569 1 11 . 1 . 1 4 4 LYS H H 1 8.016 0.002 . 1 . . . . . 4 LYS H . 52569 1 12 . 1 . 1 4 4 LYS CA C 13 54.421 0.061 . 1 . . . . . 4 LYS CA . 52569 1 13 . 1 . 1 4 4 LYS CB C 13 32.172 0.028 . 1 . . . . . 4 LYS CB . 52569 1 14 . 1 . 1 4 4 LYS N N 15 117.946 0.032 . 1 . . . . . 4 LYS N . 52569 1 15 . 1 . 1 5 5 VAL H H 1 8.205 0.003 . 1 . . . . . 5 VAL H . 52569 1 16 . 1 . 1 5 5 VAL CA C 13 59.385 0.123 . 1 . . . . . 5 VAL CA . 52569 1 17 . 1 . 1 5 5 VAL CB C 13 31.712 0.079 . 1 . . . . . 5 VAL CB . 52569 1 18 . 1 . 1 5 5 VAL N N 15 120.729 0.021 . 1 . . . . . 5 VAL N . 52569 1 19 . 1 . 1 6 6 TYR H H 1 8.500 0.004 . 1 . . . . . 6 TYR H . 52569 1 20 . 1 . 1 6 6 TYR CA C 13 55.250 0.058 . 1 . . . . . 6 TYR CA . 52569 1 21 . 1 . 1 6 6 TYR CB C 13 42.369 0.015 . 1 . . . . . 6 TYR CB . 52569 1 22 . 1 . 1 6 6 TYR N N 15 124.267 0.036 . 1 . . . . . 6 TYR N . 52569 1 23 . 1 . 1 7 7 THR H H 1 7.868 0.002 . 1 . . . . . 7 THR H . 52569 1 24 . 1 . 1 7 7 THR CA C 13 60.931 0.024 . 1 . . . . . 7 THR CA . 52569 1 25 . 1 . 1 7 7 THR CB C 13 69.306 0.084 . 1 . . . . . 7 THR CB . 52569 1 26 . 1 . 1 7 7 THR N N 15 109.821 0.029 . 1 . . . . . 7 THR N . 52569 1 27 . 1 . 1 8 8 TYR H H 1 7.537 0.002 . 1 . . . . . 8 TYR H . 52569 1 28 . 1 . 1 8 8 TYR CA C 13 52.532 0.082 . 1 . . . . . 8 TYR CA . 52569 1 29 . 1 . 1 8 8 TYR CB C 13 39.740 0.066 . 1 . . . . . 8 TYR CB . 52569 1 30 . 1 . 1 8 8 TYR N N 15 121.850 0.013 . 1 . . . . . 8 TYR N . 52569 1 31 . 1 . 1 9 9 LYS H H 1 8.980 0.002 . 1 . . . . . 9 LYS H . 52569 1 32 . 1 . 1 9 9 LYS CA C 13 55.441 0.127 . 1 . . . . . 9 LYS CA . 52569 1 33 . 1 . 1 9 9 LYS CB C 13 30.149 0.038 . 1 . . . . . 9 LYS CB . 52569 1 34 . 1 . 1 9 9 LYS N N 15 127.061 0.028 . 1 . . . . . 9 LYS N . 52569 1 35 . 1 . 1 10 10 ARG H H 1 6.322 0.002 . 1 . . . . . 10 ARG H . 52569 1 36 . 1 . 1 10 10 ARG CA C 13 54.985 0.000 . 1 . . . . . 10 ARG CA . 52569 1 37 . 1 . 1 10 10 ARG CB C 13 31.909 0.000 . 1 . . . . . 10 ARG CB . 52569 1 38 . 1 . 1 10 10 ARG N N 15 117.595 0.005 . 1 . . . . . 10 ARG N . 52569 1 39 . 1 . 1 11 11 GLU CA C 13 56.577 0.000 . 1 . . . . . 11 GLU CA . 52569 1 40 . 1 . 1 11 11 GLU CB C 13 27.425 0.065 . 1 . . . . . 11 GLU CB . 52569 1 41 . 1 . 1 12 12 SER H H 1 7.646 0.002 . 1 . . . . . 12 SER H . 52569 1 42 . 1 . 1 12 12 SER CA C 13 56.602 0.000 . 1 . . . . . 12 SER CA . 52569 1 43 . 1 . 1 12 12 SER CB C 13 62.272 0.000 . 1 . . . . . 12 SER CB . 52569 1 44 . 1 . 1 12 12 SER N N 15 121.676 0.007 . 1 . . . . . 12 SER N . 52569 1 45 . 1 . 1 13 13 ARG CA C 13 56.594 0.158 . 1 . . . . . 13 ARG CA . 52569 1 46 . 1 . 1 13 13 ARG CB C 13 27.721 0.040 . 1 . . . . . 13 ARG CB . 52569 1 47 . 1 . 1 14 14 TYR H H 1 7.766 0.004 . 1 . . . . . 14 TYR H . 52569 1 48 . 1 . 1 14 14 TYR CA C 13 54.861 0.001 . 1 . . . . . 14 TYR CA . 52569 1 49 . 1 . 1 14 14 TYR CB C 13 40.047 0.041 . 1 . . . . . 14 TYR CB . 52569 1 50 . 1 . 1 14 14 TYR N N 15 119.091 0.025 . 1 . . . . . 14 TYR N . 52569 1 51 . 1 . 1 15 15 ARG H H 1 10.076 0.002 . 1 . . . . . 15 ARG H . 52569 1 52 . 1 . 1 15 15 ARG CA C 13 55.506 0.102 . 1 . . . . . 15 ARG CA . 52569 1 53 . 1 . 1 15 15 ARG CB C 13 31.652 0.023 . 1 . . . . . 15 ARG CB . 52569 1 54 . 1 . 1 15 15 ARG N N 15 118.262 0.034 . 1 . . . . . 15 ARG N . 52569 1 55 . 1 . 1 16 16 LEU H H 1 7.407 0.003 . 1 . . . . . 16 LEU H . 52569 1 56 . 1 . 1 16 16 LEU CA C 13 52.408 0.042 . 1 . . . . . 16 LEU CA . 52569 1 57 . 1 . 1 16 16 LEU CB C 13 47.214 0.034 . 1 . . . . . 16 LEU CB . 52569 1 58 . 1 . 1 16 16 LEU N N 15 118.688 0.010 . 1 . . . . . 16 LEU N . 52569 1 59 . 1 . 1 17 17 PHE H H 1 8.221 0.003 . 1 . . . . . 17 PHE H . 52569 1 60 . 1 . 1 17 17 PHE CA C 13 54.148 0.112 . 1 . . . . . 17 PHE CA . 52569 1 61 . 1 . 1 17 17 PHE CB C 13 40.597 0.018 . 1 . . . . . 17 PHE CB . 52569 1 62 . 1 . 1 17 17 PHE N N 15 111.459 0.041 . 1 . . . . . 17 PHE N . 52569 1 63 . 1 . 1 18 18 VAL H H 1 9.393 0.003 . 1 . . . . . 18 VAL H . 52569 1 64 . 1 . 1 18 18 VAL CA C 13 58.124 0.081 . 1 . . . . . 18 VAL CA . 52569 1 65 . 1 . 1 18 18 VAL CB C 13 34.118 0.043 . 1 . . . . . 18 VAL CB . 52569 1 66 . 1 . 1 18 18 VAL N N 15 119.409 0.032 . 1 . . . . . 18 VAL N . 52569 1 67 . 1 . 1 19 19 ASP H H 1 8.963 0.003 . 1 . . . . . 19 ASP H . 52569 1 68 . 1 . 1 19 19 ASP CA C 13 53.918 0.056 . 1 . . . . . 19 ASP CA . 52569 1 69 . 1 . 1 19 19 ASP CB C 13 40.937 0.017 . 1 . . . . . 19 ASP CB . 52569 1 70 . 1 . 1 19 19 ASP N N 15 129.262 0.046 . 1 . . . . . 19 ASP N . 52569 1 71 . 1 . 1 20 20 VAL H H 1 8.620 0.002 . 1 . . . . . 20 VAL H . 52569 1 72 . 1 . 1 20 20 VAL CA C 13 60.159 0.097 . 1 . . . . . 20 VAL CA . 52569 1 73 . 1 . 1 20 20 VAL CB C 13 31.481 0.036 . 1 . . . . . 20 VAL CB . 52569 1 74 . 1 . 1 20 20 VAL N N 15 119.523 0.029 . 1 . . . . . 20 VAL N . 52569 1 75 . 1 . 1 21 21 GLN H H 1 8.088 0.002 . 1 . . . . . 21 GLN H . 52569 1 76 . 1 . 1 21 21 GLN CA C 13 55.494 0.065 . 1 . . . . . 21 GLN CA . 52569 1 77 . 1 . 1 21 21 GLN CB C 13 28.714 0.033 . 1 . . . . . 21 GLN CB . 52569 1 78 . 1 . 1 21 21 GLN N N 15 126.631 0.023 . 1 . . . . . 21 GLN N . 52569 1 79 . 1 . 1 22 22 SER H H 1 7.980 0.003 . 1 . . . . . 22 SER H . 52569 1 80 . 1 . 1 22 22 SER CA C 13 58.082 0.087 . 1 . . . . . 22 SER CA . 52569 1 81 . 1 . 1 22 22 SER CB C 13 63.140 0.138 . 1 . . . . . 22 SER CB . 52569 1 82 . 1 . 1 22 22 SER N N 15 114.720 0.029 . 1 . . . . . 22 SER N . 52569 1 83 . 1 . 1 23 23 ASP H H 1 8.992 0.001 . 1 . . . . . 23 ASP H . 52569 1 84 . 1 . 1 23 23 ASP CA C 13 56.265 0.124 . 1 . . . . . 23 ASP CA . 52569 1 85 . 1 . 1 23 23 ASP CB C 13 40.191 0.054 . 1 . . . . . 23 ASP CB . 52569 1 86 . 1 . 1 23 23 ASP N N 15 126.331 0.020 . 1 . . . . . 23 ASP N . 52569 1 87 . 1 . 1 24 24 ILE H H 1 8.066 0.003 . 1 . . . . . 24 ILE H . 52569 1 88 . 1 . 1 24 24 ILE CA C 13 60.374 0.083 . 1 . . . . . 24 ILE CA . 52569 1 89 . 1 . 1 24 24 ILE CB C 13 37.302 0.007 . 1 . . . . . 24 ILE CB . 52569 1 90 . 1 . 1 24 24 ILE N N 15 114.988 0.037 . 1 . . . . . 24 ILE N . 52569 1 91 . 1 . 1 25 25 ILE H H 1 6.572 0.004 . 1 . . . . . 25 ILE H . 52569 1 92 . 1 . 1 25 25 ILE CA C 13 57.606 0.059 . 1 . . . . . 25 ILE CA . 52569 1 93 . 1 . 1 25 25 ILE CB C 13 35.481 0.070 . 1 . . . . . 25 ILE CB . 52569 1 94 . 1 . 1 25 25 ILE N N 15 121.089 0.016 . 1 . . . . . 25 ILE N . 52569 1 95 . 1 . 1 26 26 ASP H H 1 8.506 0.002 . 1 . . . . . 26 ASP H . 52569 1 96 . 1 . 1 26 26 ASP CA C 13 52.872 0.002 . 1 . . . . . 26 ASP CA . 52569 1 97 . 1 . 1 26 26 ASP CB C 13 41.383 0.042 . 1 . . . . . 26 ASP CB . 52569 1 98 . 1 . 1 26 26 ASP N N 15 127.752 0.012 . 1 . . . . . 26 ASP N . 52569 1 99 . 1 . 1 27 27 THR H H 1 8.264 0.004 . 1 . . . . . 27 THR H . 52569 1 100 . 1 . 1 27 27 THR CA C 13 54.472 0.000 . 1 . . . . . 27 THR CA . 52569 1 101 . 1 . 1 27 27 THR CB C 13 68.591 0.000 . 1 . . . . . 27 THR CB . 52569 1 102 . 1 . 1 27 27 THR N N 15 116.308 0.009 . 1 . . . . . 27 THR N . 52569 1 103 . 1 . 1 29 29 GLY CA C 13 45.377 0.055 . 1 . . . . . 29 GLY CA . 52569 1 104 . 1 . 1 30 30 ARG H H 1 8.372 0.005 . 1 . . . . . 30 ARG H . 52569 1 105 . 1 . 1 30 30 ARG CA C 13 55.306 0.022 . 1 . . . . . 30 ARG CA . 52569 1 106 . 1 . 1 30 30 ARG CB C 13 35.785 0.030 . 1 . . . . . 30 ARG CB . 52569 1 107 . 1 . 1 30 30 ARG N N 15 122.158 0.066 . 1 . . . . . 30 ARG N . 52569 1 108 . 1 . 1 31 31 ARG H H 1 8.081 0.002 . 1 . . . . . 31 ARG H . 52569 1 109 . 1 . 1 31 31 ARG CA C 13 52.987 0.022 . 1 . . . . . 31 ARG CA . 52569 1 110 . 1 . 1 31 31 ARG CB C 13 32.335 0.006 . 1 . . . . . 31 ARG CB . 52569 1 111 . 1 . 1 31 31 ARG N N 15 116.629 0.016 . 1 . . . . . 31 ARG N . 52569 1 112 . 1 . 1 32 32 MET H H 1 8.523 0.002 . 1 . . . . . 32 MET H . 52569 1 113 . 1 . 1 32 32 MET CA C 13 55.417 0.097 . 1 . . . . . 32 MET CA . 52569 1 114 . 1 . 1 32 32 MET CB C 13 31.026 0.065 . 1 . . . . . 32 MET CB . 52569 1 115 . 1 . 1 32 32 MET N N 15 121.858 0.020 . 1 . . . . . 32 MET N . 52569 1 116 . 1 . 1 33 33 VAL H H 1 8.433 0.002 . 1 . . . . . 33 VAL H . 52569 1 117 . 1 . 1 33 33 VAL CA C 13 57.788 0.134 . 1 . . . . . 33 VAL CA . 52569 1 118 . 1 . 1 33 33 VAL CB C 13 34.248 0.062 . 1 . . . . . 33 VAL CB . 52569 1 119 . 1 . 1 33 33 VAL N N 15 119.595 0.043 . 1 . . . . . 33 VAL N . 52569 1 120 . 1 . 1 34 34 ILE H H 1 9.004 0.001 . 1 . . . . . 34 ILE H . 52569 1 121 . 1 . 1 34 34 ILE CA C 13 57.149 0.000 . 1 . . . . . 34 ILE CA . 52569 1 122 . 1 . 1 34 34 ILE CB C 13 40.341 0.000 . 1 . . . . . 34 ILE CB . 52569 1 123 . 1 . 1 34 34 ILE N N 15 117.203 0.019 . 1 . . . . . 34 ILE N . 52569 1 124 . 1 . 1 35 35 PRO CA C 13 61.411 0.014 . 1 . . . . . 35 PRO CA . 52569 1 125 . 1 . 1 35 35 PRO CB C 13 29.941 0.046 . 1 . . . . . 35 PRO CB . 52569 1 126 . 1 . 1 36 36 LEU H H 1 7.405 0.002 . 1 . . . . . 36 LEU H . 52569 1 127 . 1 . 1 36 36 LEU CA C 13 52.081 0.094 . 1 . . . . . 36 LEU CA . 52569 1 128 . 1 . 1 36 36 LEU CB C 13 42.987 0.035 . 1 . . . . . 36 LEU CB . 52569 1 129 . 1 . 1 36 36 LEU N N 15 117.233 0.012 . 1 . . . . . 36 LEU N . 52569 1 130 . 1 . 1 37 37 ALA H H 1 8.981 0.001 . 1 . . . . . 37 ALA H . 52569 1 131 . 1 . 1 37 37 ALA CA C 13 49.248 0.050 . 1 . . . . . 37 ALA CA . 52569 1 132 . 1 . 1 37 37 ALA CB C 13 22.149 0.082 . 1 . . . . . 37 ALA CB . 52569 1 133 . 1 . 1 37 37 ALA N N 15 122.211 0.033 . 1 . . . . . 37 ALA N . 52569 1 134 . 1 . 1 38 38 SER H H 1 9.345 0.001 . 1 . . . . . 38 SER H . 52569 1 135 . 1 . 1 38 38 SER CA C 13 59.170 0.195 . 1 . . . . . 38 SER CA . 52569 1 136 . 1 . 1 38 38 SER CB C 13 62.053 0.085 . 1 . . . . . 38 SER CB . 52569 1 137 . 1 . 1 38 38 SER N N 15 118.856 0.017 . 1 . . . . . 38 SER N . 52569 1 138 . 1 . 1 39 39 ALA H H 1 7.926 0.002 . 1 . . . . . 39 ALA H . 52569 1 139 . 1 . 1 39 39 ALA CA C 13 54.288 0.055 . 1 . . . . . 39 ALA CA . 52569 1 140 . 1 . 1 39 39 ALA CB C 13 16.563 0.166 . 1 . . . . . 39 ALA CB . 52569 1 141 . 1 . 1 39 39 ALA N N 15 127.840 0.029 . 1 . . . . . 39 ALA N . 52569 1 142 . 1 . 1 40 40 ARG H H 1 7.691 0.003 . 1 . . . . . 40 ARG H . 52569 1 143 . 1 . 1 40 40 ARG CA C 13 56.702 0.040 . 1 . . . . . 40 ARG CA . 52569 1 144 . 1 . 1 40 40 ARG CB C 13 28.690 0.067 . 1 . . . . . 40 ARG CB . 52569 1 145 . 1 . 1 40 40 ARG N N 15 113.156 0.034 . 1 . . . . . 40 ARG N . 52569 1 146 . 1 . 1 41 41 LEU H H 1 7.543 0.005 . 1 . . . . . 41 LEU H . 52569 1 147 . 1 . 1 41 41 LEU CA C 13 54.882 0.075 . 1 . . . . . 41 LEU CA . 52569 1 148 . 1 . 1 41 41 LEU CB C 13 40.691 0.026 . 1 . . . . . 41 LEU CB . 52569 1 149 . 1 . 1 41 41 LEU N N 15 117.711 0.024 . 1 . . . . . 41 LEU N . 52569 1 150 . 1 . 1 42 42 LEU H H 1 7.365 0.002 . 1 . . . . . 42 LEU H . 52569 1 151 . 1 . 1 42 42 LEU CA C 13 53.268 0.000 . 1 . . . . . 42 LEU CA . 52569 1 152 . 1 . 1 42 42 LEU CB C 13 43.324 0.000 . 1 . . . . . 42 LEU CB . 52569 1 153 . 1 . 1 42 42 LEU N N 15 119.792 0.022 . 1 . . . . . 42 LEU N . 52569 1 154 . 1 . 1 47 47 SER CA C 13 58.149 0.000 . 1 . . . . . 47 SER CA . 52569 1 155 . 1 . 1 47 47 SER CB C 13 63.337 0.096 . 1 . . . . . 47 SER CB . 52569 1 156 . 1 . 1 48 48 ARG H H 1 9.059 0.004 . 1 . . . . . 48 ARG H . 52569 1 157 . 1 . 1 48 48 ARG CA C 13 56.759 0.068 . 1 . . . . . 48 ARG CA . 52569 1 158 . 1 . 1 48 48 ARG CB C 13 29.114 0.010 . 1 . . . . . 48 ARG CB . 52569 1 159 . 1 . 1 48 48 ARG N N 15 129.135 0.038 . 1 . . . . . 48 ARG N . 52569 1 160 . 1 . 1 49 49 GLU H H 1 7.995 0.001 . 1 . . . . . 49 GLU H . 52569 1 161 . 1 . 1 49 49 GLU CA C 13 58.162 0.124 . 1 . . . . . 49 GLU CA . 52569 1 162 . 1 . 1 49 49 GLU CB C 13 28.682 0.051 . 1 . . . . . 49 GLU CB . 52569 1 163 . 1 . 1 49 49 GLU N N 15 117.912 0.024 . 1 . . . . . 49 GLU N . 52569 1 164 . 1 . 1 50 50 LEU H H 1 7.178 0.004 . 1 . . . . . 50 LEU H . 52569 1 165 . 1 . 1 50 50 LEU CA C 13 54.881 0.016 . 1 . . . . . 50 LEU CA . 52569 1 166 . 1 . 1 50 50 LEU CB C 13 41.813 0.043 . 1 . . . . . 50 LEU CB . 52569 1 167 . 1 . 1 50 50 LEU N N 15 116.472 0.018 . 1 . . . . . 50 LEU N . 52569 1 168 . 1 . 1 51 51 TYR H H 1 7.183 0.003 . 1 . . . . . 51 TYR H . 52569 1 169 . 1 . 1 51 51 TYR CA C 13 53.033 0.000 . 1 . . . . . 51 TYR CA . 52569 1 170 . 1 . 1 51 51 TYR CB C 13 37.136 0.000 . 1 . . . . . 51 TYR CB . 52569 1 171 . 1 . 1 51 51 TYR N N 15 113.435 0.011 . 1 . . . . . 51 TYR N . 52569 1 172 . 1 . 1 52 52 PRO CA C 13 63.381 0.028 . 1 . . . . . 52 PRO CA . 52569 1 173 . 1 . 1 52 52 PRO CB C 13 30.923 0.001 . 1 . . . . . 52 PRO CB . 52569 1 174 . 1 . 1 53 53 VAL H H 1 8.613 0.001 . 1 . . . . . 53 VAL H . 52569 1 175 . 1 . 1 53 53 VAL CA C 13 60.596 0.087 . 1 . . . . . 53 VAL CA . 52569 1 176 . 1 . 1 53 53 VAL CB C 13 31.631 0.143 . 1 . . . . . 53 VAL CB . 52569 1 177 . 1 . 1 53 53 VAL N N 15 121.152 0.005 . 1 . . . . . 53 VAL N . 52569 1 178 . 1 . 1 54 54 VAL H H 1 9.423 0.001 . 1 . . . . . 54 VAL H . 52569 1 179 . 1 . 1 54 54 VAL CA C 13 58.248 0.125 . 1 . . . . . 54 VAL CA . 52569 1 180 . 1 . 1 54 54 VAL CB C 13 33.824 0.031 . 1 . . . . . 54 VAL CB . 52569 1 181 . 1 . 1 54 54 VAL N N 15 121.988 0.038 . 1 . . . . . 54 VAL N . 52569 1 182 . 1 . 1 55 55 HIS H H 1 8.386 0.003 . 1 . . . . . 55 HIS H . 52569 1 183 . 1 . 1 55 55 HIS CA C 13 55.817 0.077 . 1 . . . . . 55 HIS CA . 52569 1 184 . 1 . 1 55 55 HIS CB C 13 31.573 0.010 . 1 . . . . . 55 HIS CB . 52569 1 185 . 1 . 1 55 55 HIS N N 15 123.001 0.042 . 1 . . . . . 55 HIS N . 52569 1 186 . 1 . 1 56 56 ILE H H 1 8.575 0.001 . 1 . . . . . 56 ILE H . 52569 1 187 . 1 . 1 56 56 ILE CA C 13 60.528 0.000 . 1 . . . . . 56 ILE CA . 52569 1 188 . 1 . 1 56 56 ILE CB C 13 39.068 0.000 . 1 . . . . . 56 ILE CB . 52569 1 189 . 1 . 1 56 56 ILE N N 15 123.472 0.016 . 1 . . . . . 56 ILE N . 52569 1 190 . 1 . 1 58 58 ASP CA C 13 53.943 0.001 . 1 . . . . . 58 ASP CA . 52569 1 191 . 1 . 1 58 58 ASP CB C 13 40.326 0.000 . 1 . . . . . 58 ASP CB . 52569 1 192 . 1 . 1 59 59 GLU H H 1 7.807 0.003 . 1 . . . . . 59 GLU H . 52569 1 193 . 1 . 1 59 59 GLU CA C 13 54.819 0.022 . 1 . . . . . 59 GLU CA . 52569 1 194 . 1 . 1 59 59 GLU CB C 13 32.639 0.063 . 1 . . . . . 59 GLU CB . 52569 1 195 . 1 . 1 59 59 GLU N N 15 118.871 0.012 . 1 . . . . . 59 GLU N . 52569 1 196 . 1 . 1 60 60 SER H H 1 8.206 0.002 . 1 . . . . . 60 SER H . 52569 1 197 . 1 . 1 60 60 SER CA C 13 56.845 0.132 . 1 . . . . . 60 SER CA . 52569 1 198 . 1 . 1 60 60 SER CB C 13 63.842 0.021 . 1 . . . . . 60 SER CB . 52569 1 199 . 1 . 1 60 60 SER N N 15 115.513 0.005 . 1 . . . . . 60 SER N . 52569 1 200 . 1 . 1 61 61 TRP H H 1 9.318 0.001 . 1 . . . . . 61 TRP H . 52569 1 201 . 1 . 1 61 61 TRP CA C 13 55.407 0.042 . 1 . . . . . 61 TRP CA . 52569 1 202 . 1 . 1 61 61 TRP CB C 13 32.664 0.020 . 1 . . . . . 61 TRP CB . 52569 1 203 . 1 . 1 61 61 TRP N N 15 124.874 0.007 . 1 . . . . . 61 TRP N . 52569 1 204 . 1 . 1 62 62 ARG H H 1 9.867 0.001 . 1 . . . . . 62 ARG H . 52569 1 205 . 1 . 1 62 62 ARG CA C 13 52.991 0.034 . 1 . . . . . 62 ARG CA . 52569 1 206 . 1 . 1 62 62 ARG CB C 13 32.074 0.053 . 1 . . . . . 62 ARG CB . 52569 1 207 . 1 . 1 62 62 ARG N N 15 120.163 0.013 . 1 . . . . . 62 ARG N . 52569 1 208 . 1 . 1 63 63 MET H H 1 8.925 0.001 . 1 . . . . . 63 MET H . 52569 1 209 . 1 . 1 63 63 MET CA C 13 55.624 0.032 . 1 . . . . . 63 MET CA . 52569 1 210 . 1 . 1 63 63 MET CB C 13 32.823 0.129 . 1 . . . . . 63 MET CB . 52569 1 211 . 1 . 1 63 63 MET N N 15 122.780 0.017 . 1 . . . . . 63 MET N . 52569 1 212 . 1 . 1 64 64 MET H H 1 8.451 0.002 . 1 . . . . . 64 MET H . 52569 1 213 . 1 . 1 64 64 MET CA C 13 51.112 0.076 . 1 . . . . . 64 MET CA . 52569 1 214 . 1 . 1 64 64 MET CB C 13 25.801 0.029 . 1 . . . . . 64 MET CB . 52569 1 215 . 1 . 1 64 64 MET N N 15 124.929 0.020 . 1 . . . . . 64 MET N . 52569 1 216 . 1 . 1 65 65 THR H H 1 8.464 0.003 . 1 . . . . . 65 THR H . 52569 1 217 . 1 . 1 65 65 THR CA C 13 66.308 0.097 . 1 . . . . . 65 THR CA . 52569 1 218 . 1 . 1 65 65 THR CB C 13 68.629 0.033 . 1 . . . . . 65 THR CB . 52569 1 219 . 1 . 1 65 65 THR N N 15 121.138 0.044 . 1 . . . . . 65 THR N . 52569 1 220 . 1 . 1 66 66 THR H H 1 6.589 0.004 . 1 . . . . . 66 THR H . 52569 1 221 . 1 . 1 66 66 THR CA C 13 61.889 0.164 . 1 . . . . . 66 THR CA . 52569 1 222 . 1 . 1 66 66 THR CB C 13 67.037 0.083 . 1 . . . . . 66 THR CB . 52569 1 223 . 1 . 1 66 66 THR N N 15 101.522 0.023 . 1 . . . . . 66 THR N . 52569 1 224 . 1 . 1 67 67 ASP H H 1 8.346 0.001 . 1 . . . . . 67 ASP H . 52569 1 225 . 1 . 1 67 67 ASP CA C 13 52.279 0.151 . 1 . . . . . 67 ASP CA . 52569 1 226 . 1 . 1 67 67 ASP CB C 13 42.085 0.043 . 1 . . . . . 67 ASP CB . 52569 1 227 . 1 . 1 67 67 ASP N N 15 126.772 0.013 . 1 . . . . . 67 ASP N . 52569 1 228 . 1 . 1 68 68 MET H H 1 6.508 0.004 . 1 . . . . . 68 MET H . 52569 1 229 . 1 . 1 68 68 MET CA C 13 55.411 0.047 . 1 . . . . . 68 MET CA . 52569 1 230 . 1 . 1 68 68 MET CB C 13 34.462 0.014 . 1 . . . . . 68 MET CB . 52569 1 231 . 1 . 1 68 68 MET N N 15 111.689 0.046 . 1 . . . . . 68 MET N . 52569 1 232 . 1 . 1 69 69 ALA H H 1 8.909 0.004 . 1 . . . . . 69 ALA H . 52569 1 233 . 1 . 1 69 69 ALA CA C 13 51.543 0.088 . 1 . . . . . 69 ALA CA . 52569 1 234 . 1 . 1 69 69 ALA CB C 13 22.653 0.141 . 1 . . . . . 69 ALA CB . 52569 1 235 . 1 . 1 69 69 ALA N N 15 120.762 0.044 . 1 . . . . . 69 ALA N . 52569 1 236 . 1 . 1 70 70 SER H H 1 8.631 0.007 . 1 . . . . . 70 SER H . 52569 1 237 . 1 . 1 70 70 SER CA C 13 56.153 0.144 . 1 . . . . . 70 SER CA . 52569 1 238 . 1 . 1 70 70 SER CB C 13 62.685 0.098 . 1 . . . . . 70 SER CB . 52569 1 239 . 1 . 1 70 70 SER N N 15 115.283 0.051 . 1 . . . . . 70 SER N . 52569 1 240 . 1 . 1 71 71 VAL H H 1 8.602 0.005 . 1 . . . . . 71 VAL H . 52569 1 241 . 1 . 1 71 71 VAL CA C 13 56.059 0.000 . 1 . . . . . 71 VAL CA . 52569 1 242 . 1 . 1 71 71 VAL CB C 13 31.363 0.000 . 1 . . . . . 71 VAL CB . 52569 1 243 . 1 . 1 71 71 VAL N N 15 117.163 0.007 . 1 . . . . . 71 VAL N . 52569 1 244 . 1 . 1 72 72 PRO CA C 13 60.442 0.065 . 1 . . . . . 72 PRO CA . 52569 1 245 . 1 . 1 72 72 PRO CB C 13 31.043 0.008 . 1 . . . . . 72 PRO CB . 52569 1 246 . 1 . 1 73 73 VAL H H 1 7.998 0.002 . 1 . . . . . 73 VAL H . 52569 1 247 . 1 . 1 73 73 VAL CA C 13 63.853 0.077 . 1 . . . . . 73 VAL CA . 52569 1 248 . 1 . 1 73 73 VAL CB C 13 30.334 0.143 . 1 . . . . . 73 VAL CB . 52569 1 249 . 1 . 1 73 73 VAL N N 15 116.909 0.024 . 1 . . . . . 73 VAL N . 52569 1 250 . 1 . 1 74 74 SER H H 1 7.965 0.002 . 1 . . . . . 74 SER H . 52569 1 251 . 1 . 1 74 74 SER CA C 13 59.731 0.081 . 1 . . . . . 74 SER CA . 52569 1 252 . 1 . 1 74 74 SER CB C 13 61.597 0.059 . 1 . . . . . 74 SER CB . 52569 1 253 . 1 . 1 74 74 SER N N 15 113.999 0.018 . 1 . . . . . 74 SER N . 52569 1 254 . 1 . 1 75 75 VAL H H 1 7.816 0.002 . 1 . . . . . 75 VAL H . 52569 1 255 . 1 . 1 75 75 VAL CA C 13 60.246 0.083 . 1 . . . . . 75 VAL CA . 52569 1 256 . 1 . 1 75 75 VAL CB C 13 30.352 0.136 . 1 . . . . . 75 VAL CB . 52569 1 257 . 1 . 1 75 75 VAL N N 15 113.042 0.015 . 1 . . . . . 75 VAL N . 52569 1 258 . 1 . 1 76 76 ILE H H 1 7.764 0.003 . 1 . . . . . 76 ILE H . 52569 1 259 . 1 . 1 76 76 ILE CA C 13 63.002 0.034 . 1 . . . . . 76 ILE CA . 52569 1 260 . 1 . 1 76 76 ILE CB C 13 36.352 0.041 . 1 . . . . . 76 ILE CB . 52569 1 261 . 1 . 1 76 76 ILE N N 15 124.691 0.008 . 1 . . . . . 76 ILE N . 52569 1 262 . 1 . 1 77 77 GLY H H 1 8.951 0.001 . 1 . . . . . 77 GLY H . 52569 1 263 . 1 . 1 77 77 GLY CA C 13 43.851 0.094 . 1 . . . . . 77 GLY CA . 52569 1 264 . 1 . 1 77 77 GLY N N 15 117.966 0.013 . 1 . . . . . 77 GLY N . 52569 1 265 . 1 . 1 78 78 GLU H H 1 8.109 0.001 . 1 . . . . . 78 GLU H . 52569 1 266 . 1 . 1 78 78 GLU CA C 13 55.591 0.091 . 1 . . . . . 78 GLU CA . 52569 1 267 . 1 . 1 78 78 GLU CB C 13 29.984 0.036 . 1 . . . . . 78 GLU CB . 52569 1 268 . 1 . 1 78 78 GLU N N 15 120.756 0.019 . 1 . . . . . 78 GLU N . 52569 1 269 . 1 . 1 79 79 GLU H H 1 8.584 0.001 . 1 . . . . . 79 GLU H . 52569 1 270 . 1 . 1 79 79 GLU CA C 13 55.740 0.093 . 1 . . . . . 79 GLU CA . 52569 1 271 . 1 . 1 79 79 GLU CB C 13 29.764 0.072 . 1 . . . . . 79 GLU CB . 52569 1 272 . 1 . 1 79 79 GLU N N 15 121.854 0.010 . 1 . . . . . 79 GLU N . 52569 1 273 . 1 . 1 80 80 VAL H H 1 9.097 0.002 . 1 . . . . . 80 VAL H . 52569 1 274 . 1 . 1 80 80 VAL CA C 13 61.014 0.052 . 1 . . . . . 80 VAL CA . 52569 1 275 . 1 . 1 80 80 VAL CB C 13 33.500 0.073 . 1 . . . . . 80 VAL CB . 52569 1 276 . 1 . 1 80 80 VAL N N 15 121.884 0.013 . 1 . . . . . 80 VAL N . 52569 1 277 . 1 . 1 81 81 ALA H H 1 7.417 0.004 . 1 . . . . . 81 ALA H . 52569 1 278 . 1 . 1 81 81 ALA CA C 13 51.576 0.076 . 1 . . . . . 81 ALA CA . 52569 1 279 . 1 . 1 81 81 ALA CB C 13 21.101 0.040 . 1 . . . . . 81 ALA CB . 52569 1 280 . 1 . 1 81 81 ALA N N 15 118.988 0.021 . 1 . . . . . 81 ALA N . 52569 1 281 . 1 . 1 82 82 ASP H H 1 8.482 0.002 . 1 . . . . . 82 ASP H . 52569 1 282 . 1 . 1 82 82 ASP CA C 13 53.097 0.073 . 1 . . . . . 82 ASP CA . 52569 1 283 . 1 . 1 82 82 ASP CB C 13 43.147 0.028 . 1 . . . . . 82 ASP CB . 52569 1 284 . 1 . 1 82 82 ASP N N 15 118.469 0.009 . 1 . . . . . 82 ASP N . 52569 1 285 . 1 . 1 83 83 LEU H H 1 9.125 0.001 . 1 . . . . . 83 LEU H . 52569 1 286 . 1 . 1 83 83 LEU CA C 13 52.850 0.044 . 1 . . . . . 83 LEU CA . 52569 1 287 . 1 . 1 83 83 LEU CB C 13 40.920 0.010 . 1 . . . . . 83 LEU CB . 52569 1 288 . 1 . 1 83 83 LEU N N 15 124.509 0.003 . 1 . . . . . 83 LEU N . 52569 1 289 . 1 . 1 84 84 SER H H 1 9.047 0.001 . 1 . . . . . 84 SER H . 52569 1 290 . 1 . 1 84 84 SER CA C 13 62.661 0.000 . 1 . . . . . 84 SER CA . 52569 1 291 . 1 . 1 84 84 SER CB C 13 61.454 0.000 . 1 . . . . . 84 SER CB . 52569 1 292 . 1 . 1 84 84 SER N N 15 118.799 0.016 . 1 . . . . . 84 SER N . 52569 1 293 . 1 . 1 85 85 HIS CA C 13 57.652 0.007 . 1 . . . . . 85 HIS CA . 52569 1 294 . 1 . 1 85 85 HIS CB C 13 28.192 0.001 . 1 . . . . . 85 HIS CB . 52569 1 295 . 1 . 1 86 86 ARG H H 1 7.718 0.001 . 1 . . . . . 86 ARG H . 52569 1 296 . 1 . 1 86 86 ARG CA C 13 51.192 0.079 . 1 . . . . . 86 ARG CA . 52569 1 297 . 1 . 1 86 86 ARG CB C 13 25.122 0.104 . 1 . . . . . 86 ARG CB . 52569 1 298 . 1 . 1 86 86 ARG N N 15 119.277 0.001 . 1 . . . . . 86 ARG N . 52569 1 299 . 1 . 1 87 87 GLU H H 1 7.079 0.003 . 1 . . . . . 87 GLU H . 52569 1 300 . 1 . 1 87 87 GLU CA C 13 59.384 0.072 . 1 . . . . . 87 GLU CA . 52569 1 301 . 1 . 1 87 87 GLU CB C 13 28.336 0.087 . 1 . . . . . 87 GLU CB . 52569 1 302 . 1 . 1 87 87 GLU N N 15 120.138 0.029 . 1 . . . . . 87 GLU N . 52569 1 303 . 1 . 1 88 88 ASN H H 1 8.609 0.003 . 1 . . . . . 88 ASN H . 52569 1 304 . 1 . 1 88 88 ASN CA C 13 56.413 0.124 . 1 . . . . . 88 ASN CA . 52569 1 305 . 1 . 1 88 88 ASN CB C 13 37.163 0.007 . 1 . . . . . 88 ASN CB . 52569 1 306 . 1 . 1 88 88 ASN N N 15 115.648 0.030 . 1 . . . . . 88 ASN N . 52569 1 307 . 1 . 1 89 89 ASP H H 1 7.559 0.002 . 1 . . . . . 89 ASP H . 52569 1 308 . 1 . 1 89 89 ASP CA C 13 56.535 0.080 . 1 . . . . . 89 ASP CA . 52569 1 309 . 1 . 1 89 89 ASP CB C 13 39.834 0.041 . 1 . . . . . 89 ASP CB . 52569 1 310 . 1 . 1 89 89 ASP N N 15 118.797 0.015 . 1 . . . . . 89 ASP N . 52569 1 311 . 1 . 1 90 90 ILE H H 1 8.099 0.001 . 1 . . . . . 90 ILE H . 52569 1 312 . 1 . 1 90 90 ILE CA C 13 65.675 0.072 . 1 . . . . . 90 ILE CA . 52569 1 313 . 1 . 1 90 90 ILE CB C 13 37.263 0.051 . 1 . . . . . 90 ILE CB . 52569 1 314 . 1 . 1 90 90 ILE N N 15 122.076 0.013 . 1 . . . . . 90 ILE N . 52569 1 315 . 1 . 1 91 91 LYS H H 1 8.625 0.003 . 1 . . . . . 91 LYS H . 52569 1 316 . 1 . 1 91 91 LYS CA C 13 58.668 0.067 . 1 . . . . . 91 LYS CA . 52569 1 317 . 1 . 1 91 91 LYS CB C 13 30.687 0.066 . 1 . . . . . 91 LYS CB . 52569 1 318 . 1 . 1 91 91 LYS N N 15 118.286 0.025 . 1 . . . . . 91 LYS N . 52569 1 319 . 1 . 1 92 92 ASN H H 1 7.907 0.006 . 1 . . . . . 92 ASN H . 52569 1 320 . 1 . 1 92 92 ASN CA C 13 55.615 0.099 . 1 . . . . . 92 ASN CA . 52569 1 321 . 1 . 1 92 92 ASN CB C 13 37.698 0.007 . 1 . . . . . 92 ASN CB . 52569 1 322 . 1 . 1 92 92 ASN N N 15 115.157 0.037 . 1 . . . . . 92 ASN N . 52569 1 323 . 1 . 1 93 93 ALA H H 1 7.384 0.002 . 1 . . . . . 93 ALA H . 52569 1 324 . 1 . 1 93 93 ALA CA C 13 55.213 0.096 . 1 . . . . . 93 ALA CA . 52569 1 325 . 1 . 1 93 93 ALA CB C 13 17.495 0.067 . 1 . . . . . 93 ALA CB . 52569 1 326 . 1 . 1 93 93 ALA N N 15 122.028 0.008 . 1 . . . . . 93 ALA N . 52569 1 327 . 1 . 1 94 94 ILE H H 1 7.590 0.003 . 1 . . . . . 94 ILE H . 52569 1 328 . 1 . 1 94 94 ILE CA C 13 65.168 0.070 . 1 . . . . . 94 ILE CA . 52569 1 329 . 1 . 1 94 94 ILE CB C 13 37.698 0.012 . 1 . . . . . 94 ILE CB . 52569 1 330 . 1 . 1 94 94 ILE N N 15 115.731 0.014 . 1 . . . . . 94 ILE N . 52569 1 331 . 1 . 1 95 95 ASN H H 1 8.341 0.007 . 1 . . . . . 95 ASN H . 52569 1 332 . 1 . 1 95 95 ASN CA C 13 55.520 0.019 . 1 . . . . . 95 ASN CA . 52569 1 333 . 1 . 1 95 95 ASN CB C 13 37.564 0.044 . 1 . . . . . 95 ASN CB . 52569 1 334 . 1 . 1 95 95 ASN N N 15 114.778 0.048 . 1 . . . . . 95 ASN N . 52569 1 335 . 1 . 1 96 96 LEU H H 1 7.830 0.002 . 1 . . . . . 96 LEU H . 52569 1 336 . 1 . 1 96 96 LEU CA C 13 56.805 0.024 . 1 . . . . . 96 LEU CA . 52569 1 337 . 1 . 1 96 96 LEU CB C 13 41.351 0.012 . 1 . . . . . 96 LEU CB . 52569 1 338 . 1 . 1 96 96 LEU N N 15 120.278 0.030 . 1 . . . . . 96 LEU N . 52569 1 339 . 1 . 1 97 97 MET H H 1 7.177 0.004 . 1 . . . . . 97 MET H . 52569 1 340 . 1 . 1 97 97 MET CA C 13 57.209 0.004 . 1 . . . . . 97 MET CA . 52569 1 341 . 1 . 1 97 97 MET CB C 13 30.543 0.165 . 1 . . . . . 97 MET CB . 52569 1 342 . 1 . 1 97 97 MET N N 15 115.268 0.016 . 1 . . . . . 97 MET N . 52569 1 343 . 1 . 1 98 98 PHE H H 1 6.780 0.005 . 1 . . . . . 98 PHE H . 52569 1 344 . 1 . 1 98 98 PHE CA C 13 57.668 0.037 . 1 . . . . . 98 PHE CA . 52569 1 345 . 1 . 1 98 98 PHE CB C 13 38.400 0.153 . 1 . . . . . 98 PHE CB . 52569 1 346 . 1 . 1 98 98 PHE N N 15 111.738 0.020 . 1 . . . . . 98 PHE N . 52569 1 347 . 1 . 1 99 99 TRP H H 1 7.905 0.004 . 1 . . . . . 99 TRP H . 52569 1 348 . 1 . 1 99 99 TRP CA C 13 55.978 0.145 . 1 . . . . . 99 TRP CA . 52569 1 349 . 1 . 1 99 99 TRP CB C 13 30.192 0.076 . 1 . . . . . 99 TRP CB . 52569 1 350 . 1 . 1 99 99 TRP N N 15 118.132 0.020 . 1 . . . . . 99 TRP N . 52569 1 351 . 1 . 1 100 100 THR H H 1 7.973 0.002 . 1 . . . . . 100 THR H . 52569 1 352 . 1 . 1 100 100 THR CA C 13 62.811 0.034 . 1 . . . . . 100 THR CA . 52569 1 353 . 1 . 1 100 100 THR CB C 13 69.001 0.060 . 1 . . . . . 100 THR CB . 52569 1 354 . 1 . 1 100 100 THR N N 15 118.825 0.014 . 1 . . . . . 100 THR N . 52569 1 355 . 1 . 1 101 101 ILE H H 1 7.787 0.001 . 1 . . . . . 101 ILE H . 52569 1 356 . 1 . 1 101 101 ILE CA C 13 62.583 0.000 . 1 . . . . . 101 ILE CA . 52569 1 357 . 1 . 1 101 101 ILE CB C 13 39.094 0.000 . 1 . . . . . 101 ILE CB . 52569 1 358 . 1 . 1 101 101 ILE N N 15 129.134 0.010 . 1 . . . . . 101 ILE N . 52569 1 stop_ save_