################################### # 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 51171 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'TTR F87E shifts' _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 2 '3D HNCA' . . . 51171 1 3 '3D HNCACB' . . . 51171 1 4 '3D HN(CO)CA' . . . 51171 1 5 '3D HNCO' . . . 51171 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 4 $software_4 . . 51171 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 3 3 PRO C C 13 177.461 0.00 . 1 . . . . . 2 PRO C . 51171 1 2 . 1 . 1 3 3 PRO CA C 13 63.266 0.01 . 1 . . . . . 2 PRO CA . 51171 1 3 . 1 . 1 3 3 PRO CB C 13 32.021 0.00 . 1 . . . . . 2 PRO CB . 51171 1 4 . 1 . 1 4 4 THR H H 1 8.242 0.00 . 1 . . . . . 3 THR H . 51171 1 5 . 1 . 1 4 4 THR C C 13 175.259 0.00 . 1 . . . . . 3 THR C . 51171 1 6 . 1 . 1 4 4 THR CA C 13 61.908 0.01 . 1 . . . . . 3 THR CA . 51171 1 7 . 1 . 1 4 4 THR CB C 13 69.954 0.00 . 1 . . . . . 3 THR CB . 51171 1 8 . 1 . 1 4 4 THR N N 15 113.719 0.00 . 1 . . . . . 3 THR N . 51171 1 9 . 1 . 1 5 5 GLY H H 1 8.345 0.00 . 1 . . . . . 4 GLY H . 51171 1 10 . 1 . 1 5 5 GLY C C 13 174.539 0.00 . 1 . . . . . 4 GLY C . 51171 1 11 . 1 . 1 5 5 GLY CA C 13 45.410 0.02 . 1 . . . . . 4 GLY CA . 51171 1 12 . 1 . 1 5 5 GLY N N 15 111.063 0.01 . 1 . . . . . 4 GLY N . 51171 1 13 . 1 . 1 6 6 THR H H 1 8.098 0.00 . 1 . . . . . 5 THR H . 51171 1 14 . 1 . 1 6 6 THR C C 13 175.384 0.00 . 1 . . . . . 5 THR C . 51171 1 15 . 1 . 1 6 6 THR CA C 13 61.895 0.01 . 1 . . . . . 5 THR CA . 51171 1 16 . 1 . 1 6 6 THR CB C 13 69.847 0.00 . 1 . . . . . 5 THR CB . 51171 1 17 . 1 . 1 6 6 THR N N 15 112.893 0.00 . 1 . . . . . 5 THR N . 51171 1 18 . 1 . 1 7 7 GLY H H 1 8.425 0.00 . 1 . . . . . 6 GLY H . 51171 1 19 . 1 . 1 7 7 GLY C C 13 174.220 0.00 . 1 . . . . . 6 GLY C . 51171 1 20 . 1 . 1 7 7 GLY CA C 13 45.395 0.02 . 1 . . . . . 6 GLY CA . 51171 1 21 . 1 . 1 7 7 GLY N N 15 111.070 0.00 . 1 . . . . . 6 GLY N . 51171 1 22 . 1 . 1 8 8 GLU H H 1 8.208 0.00 . 1 . . . . . 7 GLU H . 51171 1 23 . 1 . 1 8 8 GLU C C 13 176.664 0.00 . 1 . . . . . 7 GLU C . 51171 1 24 . 1 . 1 8 8 GLU CA C 13 56.500 0.03 . 1 . . . . . 7 GLU CA . 51171 1 25 . 1 . 1 8 8 GLU CB C 13 30.266 0.01 . 1 . . . . . 7 GLU CB . 51171 1 26 . 1 . 1 8 8 GLU N N 15 120.662 0.01 . 1 . . . . . 7 GLU N . 51171 1 27 . 1 . 1 9 9 SER H H 1 8.330 0.00 . 1 . . . . . 8 SER H . 51171 1 28 . 1 . 1 9 9 SER C C 13 174.671 0.00 . 1 . . . . . 8 SER C . 51171 1 29 . 1 . 1 9 9 SER CA C 13 58.481 0.02 . 1 . . . . . 8 SER CA . 51171 1 30 . 1 . 1 9 9 SER CB C 13 63.816 0.01 . 1 . . . . . 8 SER CB . 51171 1 31 . 1 . 1 9 9 SER N N 15 117.127 0.00 . 1 . . . . . 8 SER N . 51171 1 32 . 1 . 1 10 10 LYS H H 1 8.403 0.00 . 1 . . . . . 9 LYS H . 51171 1 33 . 1 . 1 10 10 LYS C C 13 175.739 0.00 . 1 . . . . . 9 LYS C . 51171 1 34 . 1 . 1 10 10 LYS CA C 13 55.684 0.03 . 1 . . . . . 9 LYS CA . 51171 1 35 . 1 . 1 10 10 LYS CB C 13 32.808 0.00 . 1 . . . . . 9 LYS CB . 51171 1 36 . 1 . 1 10 10 LYS N N 15 123.160 0.01 . 1 . . . . . 9 LYS N . 51171 1 37 . 1 . 1 11 11 CYS H H 1 8.236 0.00 . 1 . . . . . 10 CYS H . 51171 1 38 . 1 . 1 11 11 CYS CB C 13 27.587 0.00 . 1 . . . . . 10 CYS CB . 51171 1 39 . 1 . 1 11 11 CYS N N 15 121.936 0.01 . 1 . . . . . 10 CYS N . 51171 1 40 . 1 . 1 12 12 PRO C C 13 173.316 0.00 . 1 . . . . . 11 PRO C . 51171 1 41 . 1 . 1 12 12 PRO CA C 13 64.171 0.00 . 1 . . . . . 11 PRO CA . 51171 1 42 . 1 . 1 13 13 LEU H H 1 6.898 0.00 . 1 . . . . . 12 LEU H . 51171 1 43 . 1 . 1 13 13 LEU C C 13 173.567 0.00 . 1 . . . . . 12 LEU C . 51171 1 44 . 1 . 1 13 13 LEU CA C 13 53.450 0.03 . 1 . . . . . 12 LEU CA . 51171 1 45 . 1 . 1 13 13 LEU N N 15 119.703 0.01 . 1 . . . . . 12 LEU N . 51171 1 46 . 1 . 1 14 14 MET H H 1 8.477 0.00 . 1 . . . . . 13 MET H . 51171 1 47 . 1 . 1 14 14 MET C C 13 173.746 0.00 . 1 . . . . . 13 MET C . 51171 1 48 . 1 . 1 14 14 MET CA C 13 54.608 0.01 . 1 . . . . . 13 MET CA . 51171 1 49 . 1 . 1 14 14 MET N N 15 126.305 0.02 . 1 . . . . . 13 MET N . 51171 1 50 . 1 . 1 15 15 VAL H H 1 7.624 0.01 . 1 . . . . . 14 VAL H . 51171 1 51 . 1 . 1 15 15 VAL C C 13 173.136 0.00 . 1 . . . . . 14 VAL C . 51171 1 52 . 1 . 1 15 15 VAL CA C 13 60.279 0.00 . 1 . . . . . 14 VAL CA . 51171 1 53 . 1 . 1 15 15 VAL N N 15 122.561 0.02 . 1 . . . . . 14 VAL N . 51171 1 54 . 1 . 1 16 16 LYS H H 1 9.003 0.01 . 1 . . . . . 15 LYS H . 51171 1 55 . 1 . 1 16 16 LYS C C 13 174.224 0.00 . 1 . . . . . 15 LYS C . 51171 1 56 . 1 . 1 16 16 LYS CA C 13 54.723 0.03 . 1 . . . . . 15 LYS CA . 51171 1 57 . 1 . 1 16 16 LYS N N 15 127.854 0.01 . 1 . . . . . 15 LYS N . 51171 1 58 . 1 . 1 17 17 VAL H H 1 9.063 0.00 . 1 . . . . . 16 VAL H . 51171 1 59 . 1 . 1 17 17 VAL C C 13 173.841 0.00 . 1 . . . . . 16 VAL C . 51171 1 60 . 1 . 1 17 17 VAL CA C 13 60.937 0.02 . 1 . . . . . 16 VAL CA . 51171 1 61 . 1 . 1 17 17 VAL N N 15 124.475 0.02 . 1 . . . . . 16 VAL N . 51171 1 62 . 1 . 1 18 18 LEU H H 1 8.628 0.00 . 1 . . . . . 17 LEU H . 51171 1 63 . 1 . 1 18 18 LEU C C 13 174.863 0.00 . 1 . . . . . 17 LEU C . 51171 1 64 . 1 . 1 18 18 LEU CA C 13 53.340 0.07 . 1 . . . . . 17 LEU CA . 51171 1 65 . 1 . 1 18 18 LEU N N 15 127.238 0.02 . 1 . . . . . 17 LEU N . 51171 1 66 . 1 . 1 19 19 ASP H H 1 8.725 0.00 . 1 . . . . . 18 ASP H . 51171 1 67 . 1 . 1 19 19 ASP C C 13 176.828 0.00 . 1 . . . . . 18 ASP C . 51171 1 68 . 1 . 1 19 19 ASP CA C 13 53.439 0.02 . 1 . . . . . 18 ASP CA . 51171 1 69 . 1 . 1 19 19 ASP N N 15 122.306 0.00 . 1 . . . . . 18 ASP N . 51171 1 70 . 1 . 1 20 20 ALA H H 1 9.280 0.00 . 1 . . . . . 19 ALA H . 51171 1 71 . 1 . 1 20 20 ALA C C 13 178.898 0.00 . 1 . . . . . 19 ALA C . 51171 1 72 . 1 . 1 20 20 ALA CA C 13 54.103 0.05 . 1 . . . . . 19 ALA CA . 51171 1 73 . 1 . 1 20 20 ALA N N 15 128.083 0.03 . 1 . . . . . 19 ALA N . 51171 1 74 . 1 . 1 21 21 VAL H H 1 8.761 0.00 . 1 . . . . . 20 VAL H . 51171 1 75 . 1 . 1 21 21 VAL C C 13 178.264 0.00 . 1 . . . . . 20 VAL C . 51171 1 76 . 1 . 1 21 21 VAL CA C 13 65.188 0.01 . 1 . . . . . 20 VAL CA . 51171 1 77 . 1 . 1 21 21 VAL N N 15 118.873 0.01 . 1 . . . . . 20 VAL N . 51171 1 78 . 1 . 1 22 22 ARG H H 1 8.313 0.00 . 1 . . . . . 21 ARG H . 51171 1 79 . 1 . 1 22 22 ARG C C 13 177.770 0.00 . 1 . . . . . 21 ARG C . 51171 1 80 . 1 . 1 22 22 ARG CA C 13 56.549 0.04 . 1 . . . . . 21 ARG CA . 51171 1 81 . 1 . 1 22 22 ARG N N 15 117.805 0.02 . 1 . . . . . 21 ARG N . 51171 1 82 . 1 . 1 23 23 GLY H H 1 8.188 0.00 . 1 . . . . . 22 GLY H . 51171 1 83 . 1 . 1 23 23 GLY C C 13 173.687 0.00 . 1 . . . . . 22 GLY C . 51171 1 84 . 1 . 1 23 23 GLY CA C 13 46.489 0.06 . 1 . . . . . 22 GLY CA . 51171 1 85 . 1 . 1 23 23 GLY N N 15 109.192 0.01 . 1 . . . . . 22 GLY N . 51171 1 86 . 1 . 1 24 24 SER H H 1 7.361 0.00 . 1 . . . . . 23 SER H . 51171 1 87 . 1 . 1 24 24 SER CA C 13 55.629 0.00 . 1 . . . . . 23 SER CA . 51171 1 88 . 1 . 1 24 24 SER N N 15 112.560 0.01 . 1 . . . . . 23 SER N . 51171 1 89 . 1 . 1 25 25 PRO CA C 13 63.522 0.00 . 1 . . . . . 24 PRO CA . 51171 1 90 . 1 . 1 26 26 ALA H H 1 8.050 0.00 . 1 . . . . . 25 ALA H . 51171 1 91 . 1 . 1 26 26 ALA C C 13 174.969 0.19 . 1 . . . . . 25 ALA C . 51171 1 92 . 1 . 1 26 26 ALA CA C 13 50.664 0.02 . 1 . . . . . 25 ALA CA . 51171 1 93 . 1 . 1 26 26 ALA N N 15 126.981 0.10 . 1 . . . . . 25 ALA N . 51171 1 94 . 1 . 1 27 27 ILE H H 1 8.114 0.02 . 1 . . . . . 26 ILE H . 51171 1 95 . 1 . 1 27 27 ILE C C 13 174.797 0.00 . 1 . . . . . 26 ILE C . 51171 1 96 . 1 . 1 27 27 ILE CA C 13 61.747 0.04 . 1 . . . . . 26 ILE CA . 51171 1 97 . 1 . 1 27 27 ILE N N 15 126.760 0.04 . 1 . . . . . 26 ILE N . 51171 1 98 . 1 . 1 28 28 ASN H H 1 7.768 0.00 . 1 . . . . . 27 ASN H . 51171 1 99 . 1 . 1 28 28 ASN C C 13 174.670 0.00 . 1 . . . . . 27 ASN C . 51171 1 100 . 1 . 1 28 28 ASN CA C 13 54.389 0.03 . 1 . . . . . 27 ASN CA . 51171 1 101 . 1 . 1 28 28 ASN N N 15 122.647 0.01 . 1 . . . . . 27 ASN N . 51171 1 102 . 1 . 1 29 29 VAL H H 1 8.237 0.00 . 1 . . . . . 28 VAL H . 51171 1 103 . 1 . 1 29 29 VAL C C 13 175.794 0.00 . 1 . . . . . 28 VAL C . 51171 1 104 . 1 . 1 29 29 VAL CA C 13 61.881 0.03 . 1 . . . . . 28 VAL CA . 51171 1 105 . 1 . 1 29 29 VAL N N 15 119.445 0.02 . 1 . . . . . 28 VAL N . 51171 1 106 . 1 . 1 30 30 ALA H H 1 8.890 0.00 . 1 . . . . . 29 ALA H . 51171 1 107 . 1 . 1 30 30 ALA C C 13 175.705 0.00 . 1 . . . . . 29 ALA C . 51171 1 108 . 1 . 1 30 30 ALA CA C 13 52.552 0.04 . 1 . . . . . 29 ALA CA . 51171 1 109 . 1 . 1 30 30 ALA N N 15 130.209 0.04 . 1 . . . . . 29 ALA N . 51171 1 110 . 1 . 1 31 31 VAL H H 1 8.392 0.00 . 1 . . . . . 30 VAL H . 51171 1 111 . 1 . 1 31 31 VAL C C 13 174.133 0.00 . 1 . . . . . 30 VAL C . 51171 1 112 . 1 . 1 31 31 VAL CA C 13 60.601 0.02 . 1 . . . . . 30 VAL CA . 51171 1 113 . 1 . 1 31 31 VAL N N 15 122.054 0.01 . 1 . . . . . 30 VAL N . 51171 1 114 . 1 . 1 32 32 HIS H H 1 9.040 0.00 . 1 . . . . . 31 HIS H . 51171 1 115 . 1 . 1 32 32 HIS C C 13 172.746 0.00 . 1 . . . . . 31 HIS C . 51171 1 116 . 1 . 1 32 32 HIS CA C 13 54.867 0.03 . 1 . . . . . 31 HIS CA . 51171 1 117 . 1 . 1 32 32 HIS N N 15 123.840 0.00 . 1 . . . . . 31 HIS N . 51171 1 118 . 1 . 1 33 33 VAL H H 1 9.233 0.00 . 1 . . . . . 32 VAL H . 51171 1 119 . 1 . 1 33 33 VAL C C 13 175.362 0.00 . 1 . . . . . 32 VAL C . 51171 1 120 . 1 . 1 33 33 VAL CA C 13 60.129 0.02 . 1 . . . . . 32 VAL CA . 51171 1 121 . 1 . 1 33 33 VAL N N 15 121.969 0.01 . 1 . . . . . 32 VAL N . 51171 1 122 . 1 . 1 34 34 PHE H H 1 9.975 0.00 . 1 . . . . . 33 PHE H . 51171 1 123 . 1 . 1 34 34 PHE C C 13 173.303 0.00 . 1 . . . . . 33 PHE C . 51171 1 124 . 1 . 1 34 34 PHE CA C 13 56.358 0.03 . 1 . . . . . 33 PHE CA . 51171 1 125 . 1 . 1 34 34 PHE N N 15 128.708 0.01 . 1 . . . . . 33 PHE N . 51171 1 126 . 1 . 1 35 35 ARG H H 1 9.538 0.00 . 1 . . . . . 34 ARG H . 51171 1 127 . 1 . 1 35 35 ARG C C 13 175.389 0.00 . 1 . . . . . 34 ARG C . 51171 1 128 . 1 . 1 35 35 ARG CA C 13 54.202 0.03 . 1 . . . . . 34 ARG CA . 51171 1 129 . 1 . 1 35 35 ARG N N 15 122.725 0.00 . 1 . . . . . 34 ARG N . 51171 1 130 . 1 . 1 36 36 LYS H H 1 8.679 0.00 . 1 . . . . . 35 LYS H . 51171 1 131 . 1 . 1 36 36 LYS C C 13 175.926 0.00 . 1 . . . . . 35 LYS C . 51171 1 132 . 1 . 1 36 36 LYS CA C 13 57.278 0.03 . 1 . . . . . 35 LYS CA . 51171 1 133 . 1 . 1 36 36 LYS N N 15 130.157 0.00 . 1 . . . . . 35 LYS N . 51171 1 134 . 1 . 1 37 37 ALA H H 1 8.821 0.00 . 1 . . . . . 36 ALA H . 51171 1 135 . 1 . 1 37 37 ALA C C 13 178.543 0.00 . 1 . . . . . 36 ALA C . 51171 1 136 . 1 . 1 37 37 ALA CA C 13 50.991 0.04 . 1 . . . . . 36 ALA CA . 51171 1 137 . 1 . 1 37 37 ALA N N 15 131.453 0.00 . 1 . . . . . 36 ALA N . 51171 1 138 . 1 . 1 38 38 ALA H H 1 8.448 0.00 . 1 . . . . . 37 ALA H . 51171 1 139 . 1 . 1 38 38 ALA C C 13 177.557 0.00 . 1 . . . . . 37 ALA C . 51171 1 140 . 1 . 1 38 38 ALA CA C 13 54.264 0.04 . 1 . . . . . 37 ALA CA . 51171 1 141 . 1 . 1 38 38 ALA N N 15 122.523 0.01 . 1 . . . . . 37 ALA N . 51171 1 142 . 1 . 1 39 39 ASP H H 1 7.694 0.00 . 1 . . . . . 38 ASP H . 51171 1 143 . 1 . 1 39 39 ASP C C 13 175.832 0.00 . 1 . . . . . 38 ASP C . 51171 1 144 . 1 . 1 39 39 ASP CA C 13 53.072 0.04 . 1 . . . . . 38 ASP CA . 51171 1 145 . 1 . 1 39 39 ASP N N 15 115.681 0.00 . 1 . . . . . 38 ASP N . 51171 1 146 . 1 . 1 40 40 ASP H H 1 7.913 0.00 . 1 . . . . . 39 ASP H . 51171 1 147 . 1 . 1 40 40 ASP C C 13 175.019 0.00 . 1 . . . . . 39 ASP C . 51171 1 148 . 1 . 1 40 40 ASP CA C 13 56.106 0.02 . 1 . . . . . 39 ASP CA . 51171 1 149 . 1 . 1 40 40 ASP N N 15 112.960 0.00 . 1 . . . . . 39 ASP N . 51171 1 150 . 1 . 1 41 41 THR H H 1 7.279 0.00 . 1 . . . . . 40 THR H . 51171 1 151 . 1 . 1 41 41 THR C C 13 172.898 0.00 . 1 . . . . . 40 THR C . 51171 1 152 . 1 . 1 41 41 THR CA C 13 61.448 0.01 . 1 . . . . . 40 THR CA . 51171 1 153 . 1 . 1 41 41 THR N N 15 110.694 0.00 . 1 . . . . . 40 THR N . 51171 1 154 . 1 . 1 42 42 TRP H H 1 8.395 0.00 . 1 . . . . . 41 TRP H . 51171 1 155 . 1 . 1 42 42 TRP C C 13 175.658 0.00 . 1 . . . . . 41 TRP C . 51171 1 156 . 1 . 1 42 42 TRP CA C 13 55.514 0.04 . 1 . . . . . 41 TRP CA . 51171 1 157 . 1 . 1 42 42 TRP N N 15 119.995 0.00 . 1 . . . . . 41 TRP N . 51171 1 158 . 1 . 1 43 43 GLU H H 1 9.269 0.00 . 1 . . . . . 42 GLU H . 51171 1 159 . 1 . 1 43 43 GLU N N 15 126.735 0.00 . 1 . . . . . 42 GLU N . 51171 1 160 . 1 . 1 44 44 PRO C C 13 175.590 0.00 . 1 . . . . . 43 PRO C . 51171 1 161 . 1 . 1 44 44 PRO CA C 13 64.885 0.02 . 1 . . . . . 43 PRO CA . 51171 1 162 . 1 . 1 45 45 PHE H H 1 8.798 0.00 . 1 . . . . . 44 PHE H . 51171 1 163 . 1 . 1 45 45 PHE C C 13 173.525 0.00 . 1 . . . . . 44 PHE C . 51171 1 164 . 1 . 1 45 45 PHE CA C 13 59.175 0.01 . 1 . . . . . 44 PHE CA . 51171 1 165 . 1 . 1 45 45 PHE N N 15 124.842 0.00 . 1 . . . . . 44 PHE N . 51171 1 166 . 1 . 1 46 46 ALA H H 1 7.846 0.00 . 1 . . . . . 45 ALA H . 51171 1 167 . 1 . 1 46 46 ALA C C 13 175.239 0.00 . 1 . . . . . 45 ALA C . 51171 1 168 . 1 . 1 46 46 ALA CA C 13 52.356 0.04 . 1 . . . . . 45 ALA CA . 51171 1 169 . 1 . 1 46 46 ALA N N 15 118.610 0.00 . 1 . . . . . 45 ALA N . 51171 1 170 . 1 . 1 47 47 SER H H 1 8.592 0.00 . 1 . . . . . 46 SER H . 51171 1 171 . 1 . 1 47 47 SER C C 13 172.607 0.00 . 1 . . . . . 46 SER C . 51171 1 172 . 1 . 1 47 47 SER CA C 13 57.693 0.02 . 1 . . . . . 46 SER CA . 51171 1 173 . 1 . 1 47 47 SER N N 15 113.566 0.00 . 1 . . . . . 46 SER N . 51171 1 174 . 1 . 1 48 48 GLY H H 1 8.342 0.00 . 1 . . . . . 47 GLY H . 51171 1 175 . 1 . 1 48 48 GLY C C 13 170.967 0.00 . 1 . . . . . 47 GLY C . 51171 1 176 . 1 . 1 48 48 GLY CA C 13 45.773 0.01 . 1 . . . . . 47 GLY CA . 51171 1 177 . 1 . 1 48 48 GLY N N 15 106.507 0.00 . 1 . . . . . 47 GLY N . 51171 1 178 . 1 . 1 49 49 LYS H H 1 8.540 0.00 . 1 . . . . . 48 LYS H . 51171 1 179 . 1 . 1 49 49 LYS C C 13 176.131 0.00 . 1 . . . . . 48 LYS C . 51171 1 180 . 1 . 1 49 49 LYS CA C 13 53.821 0.04 . 1 . . . . . 48 LYS CA . 51171 1 181 . 1 . 1 49 49 LYS N N 15 120.288 0.00 . 1 . . . . . 48 LYS N . 51171 1 182 . 1 . 1 50 50 THR H H 1 8.633 0.00 . 1 . . . . . 49 THR H . 51171 1 183 . 1 . 1 50 50 THR C C 13 175.857 0.00 . 1 . . . . . 49 THR C . 51171 1 184 . 1 . 1 50 50 THR CA C 13 62.162 0.03 . 1 . . . . . 49 THR CA . 51171 1 185 . 1 . 1 50 50 THR N N 15 111.718 0.01 . 1 . . . . . 49 THR N . 51171 1 186 . 1 . 1 51 51 SER H H 1 8.573 0.00 . 1 . . . . . 50 SER H . 51171 1 187 . 1 . 1 51 51 SER C C 13 175.478 0.00 . 1 . . . . . 50 SER C . 51171 1 188 . 1 . 1 51 51 SER CA C 13 57.167 0.02 . 1 . . . . . 50 SER CA . 51171 1 189 . 1 . 1 51 51 SER N N 15 118.176 0.00 . 1 . . . . . 50 SER N . 51171 1 190 . 1 . 1 52 52 GLU H H 1 9.081 0.00 . 1 . . . . . 51 GLU H . 51171 1 191 . 1 . 1 52 52 GLU C C 13 175.821 0.00 . 1 . . . . . 51 GLU C . 51171 1 192 . 1 . 1 52 52 GLU CA C 13 59.239 0.03 . 1 . . . . . 51 GLU CA . 51171 1 193 . 1 . 1 52 52 GLU N N 15 118.784 0.01 . 1 . . . . . 51 GLU N . 51171 1 194 . 1 . 1 53 53 SER H H 1 8.081 0.00 . 1 . . . . . 52 SER H . 51171 1 195 . 1 . 1 53 53 SER C C 13 175.846 0.00 . 1 . . . . . 52 SER C . 51171 1 196 . 1 . 1 53 53 SER CA C 13 57.638 0.02 . 1 . . . . . 52 SER CA . 51171 1 197 . 1 . 1 53 53 SER N N 15 111.616 0.00 . 1 . . . . . 52 SER N . 51171 1 198 . 1 . 1 54 54 GLY H H 1 8.435 0.01 . 1 . . . . . 53 GLY H . 51171 1 199 . 1 . 1 54 54 GLY C C 13 172.551 0.00 . 1 . . . . . 53 GLY C . 51171 1 200 . 1 . 1 54 54 GLY CA C 13 45.471 0.04 . 1 . . . . . 53 GLY CA . 51171 1 201 . 1 . 1 54 54 GLY N N 15 111.459 0.16 . 1 . . . . . 53 GLY N . 51171 1 202 . 1 . 1 55 55 GLU H H 1 7.223 0.00 . 1 . . . . . 54 GLU H . 51171 1 203 . 1 . 1 55 55 GLU C C 13 176.206 0.00 . 1 . . . . . 54 GLU C . 51171 1 204 . 1 . 1 55 55 GLU CA C 13 54.555 0.02 . 1 . . . . . 54 GLU CA . 51171 1 205 . 1 . 1 55 55 GLU N N 15 115.774 0.01 . 1 . . . . . 54 GLU N . 51171 1 206 . 1 . 1 56 56 LEU H H 1 8.628 0.00 . 1 . . . . . 55 LEU H . 51171 1 207 . 1 . 1 56 56 LEU C C 13 174.938 0.00 . 1 . . . . . 55 LEU C . 51171 1 208 . 1 . 1 56 56 LEU CA C 13 54.159 0.02 . 1 . . . . . 55 LEU CA . 51171 1 209 . 1 . 1 56 56 LEU N N 15 123.201 0.00 . 1 . . . . . 55 LEU N . 51171 1 210 . 1 . 1 57 57 HIS H H 1 8.938 0.00 . 1 . . . . . 56 HIS H . 51171 1 211 . 1 . 1 57 57 HIS C C 13 175.525 0.00 . 1 . . . . . 56 HIS C . 51171 1 212 . 1 . 1 57 57 HIS CA C 13 55.218 0.02 . 1 . . . . . 56 HIS CA . 51171 1 213 . 1 . 1 57 57 HIS N N 15 126.130 0.01 . 1 . . . . . 56 HIS N . 51171 1 214 . 1 . 1 58 58 GLY H H 1 8.218 0.00 . 1 . . . . . 57 GLY H . 51171 1 215 . 1 . 1 58 58 GLY C C 13 175.524 0.00 . 1 . . . . . 57 GLY C . 51171 1 216 . 1 . 1 58 58 GLY CA C 13 46.766 0.05 . 1 . . . . . 57 GLY CA . 51171 1 217 . 1 . 1 58 58 GLY N N 15 108.391 0.02 . 1 . . . . . 57 GLY N . 51171 1 218 . 1 . 1 59 59 LEU H H 1 8.240 0.00 . 1 . . . . . 58 LEU H . 51171 1 219 . 1 . 1 59 59 LEU CA C 13 57.275 0.00 . 1 . . . . . 58 LEU CA . 51171 1 220 . 1 . 1 59 59 LEU N N 15 119.675 0.02 . 1 . . . . . 58 LEU N . 51171 1 221 . 1 . 1 60 60 THR C C 13 172.787 0.00 . 1 . . . . . 59 THR C . 51171 1 222 . 1 . 1 61 61 THR H H 1 8.442 0.00 . 1 . . . . . 60 THR H . 51171 1 223 . 1 . 1 61 61 THR C C 13 175.163 0.00 . 1 . . . . . 60 THR C . 51171 1 224 . 1 . 1 61 61 THR CA C 13 59.563 0.08 . 1 . . . . . 60 THR CA . 51171 1 225 . 1 . 1 61 61 THR N N 15 112.025 0.00 . 1 . . . . . 60 THR N . 51171 1 226 . 1 . 1 62 62 GLU H H 1 8.979 0.00 . 1 . . . . . 61 GLU H . 51171 1 227 . 1 . 1 62 62 GLU C C 13 178.177 0.00 . 1 . . . . . 61 GLU C . 51171 1 228 . 1 . 1 62 62 GLU CA C 13 59.824 0.01 . 1 . . . . . 61 GLU CA . 51171 1 229 . 1 . 1 62 62 GLU N N 15 121.002 0.00 . 1 . . . . . 61 GLU N . 51171 1 230 . 1 . 1 63 63 GLU H H 1 8.681 0.00 . 1 . . . . . 62 GLU H . 51171 1 231 . 1 . 1 63 63 GLU C C 13 177.791 0.00 . 1 . . . . . 62 GLU C . 51171 1 232 . 1 . 1 63 63 GLU CA C 13 59.140 0.01 . 1 . . . . . 62 GLU CA . 51171 1 233 . 1 . 1 63 63 GLU N N 15 116.371 0.02 . 1 . . . . . 62 GLU N . 51171 1 234 . 1 . 1 64 64 GLU H H 1 7.345 0.01 . 1 . . . . . 63 GLU H . 51171 1 235 . 1 . 1 64 64 GLU C C 13 176.864 0.00 . 1 . . . . . 63 GLU C . 51171 1 236 . 1 . 1 64 64 GLU CA C 13 56.860 0.17 . 1 . . . . . 63 GLU CA . 51171 1 237 . 1 . 1 64 64 GLU N N 15 115.774 0.01 . 1 . . . . . 63 GLU N . 51171 1 238 . 1 . 1 65 65 PHE H H 1 7.905 0.00 . 1 . . . . . 64 PHE H . 51171 1 239 . 1 . 1 65 65 PHE C C 13 173.998 0.00 . 1 . . . . . 64 PHE C . 51171 1 240 . 1 . 1 65 65 PHE CA C 13 55.796 0.07 . 1 . . . . . 64 PHE CA . 51171 1 241 . 1 . 1 65 65 PHE N N 15 121.769 0.00 . 1 . . . . . 64 PHE N . 51171 1 242 . 1 . 1 66 66 VAL H H 1 7.110 0.00 . 1 . . . . . 65 VAL H . 51171 1 243 . 1 . 1 66 66 VAL C C 13 176.465 0.00 . 1 . . . . . 65 VAL C . 51171 1 244 . 1 . 1 66 66 VAL CA C 13 60.217 0.01 . 1 . . . . . 65 VAL CA . 51171 1 245 . 1 . 1 66 66 VAL N N 15 116.376 0.02 . 1 . . . . . 65 VAL N . 51171 1 246 . 1 . 1 67 67 GLU H H 1 8.545 0.00 . 1 . . . . . 66 GLU H . 51171 1 247 . 1 . 1 67 67 GLU C C 13 176.109 0.00 . 1 . . . . . 66 GLU C . 51171 1 248 . 1 . 1 67 67 GLU CA C 13 57.102 0.03 . 1 . . . . . 66 GLU CA . 51171 1 249 . 1 . 1 67 67 GLU N N 15 121.151 0.01 . 1 . . . . . 66 GLU N . 51171 1 250 . 1 . 1 68 68 GLY H H 1 7.978 0.00 . 1 . . . . . 67 GLY H . 51171 1 251 . 1 . 1 68 68 GLY C C 13 169.750 0.00 . 1 . . . . . 67 GLY C . 51171 1 252 . 1 . 1 68 68 GLY CA C 13 44.917 0.01 . 1 . . . . . 67 GLY CA . 51171 1 253 . 1 . 1 68 68 GLY N N 15 110.481 0.01 . 1 . . . . . 67 GLY N . 51171 1 254 . 1 . 1 69 69 ILE H H 1 8.296 0.00 . 1 . . . . . 68 ILE H . 51171 1 255 . 1 . 1 69 69 ILE C C 13 174.080 0.00 . 1 . . . . . 68 ILE C . 51171 1 256 . 1 . 1 69 69 ILE CA C 13 60.962 0.02 . 1 . . . . . 68 ILE CA . 51171 1 257 . 1 . 1 69 69 ILE N N 15 121.356 0.01 . 1 . . . . . 68 ILE N . 51171 1 258 . 1 . 1 70 70 TYR H H 1 8.682 0.00 . 1 . . . . . 69 TYR H . 51171 1 259 . 1 . 1 70 70 TYR C C 13 173.390 0.00 . 1 . . . . . 69 TYR C . 51171 1 260 . 1 . 1 70 70 TYR CA C 13 56.356 0.03 . 1 . . . . . 69 TYR CA . 51171 1 261 . 1 . 1 70 70 TYR N N 15 124.977 0.00 . 1 . . . . . 69 TYR N . 51171 1 262 . 1 . 1 71 71 LYS H H 1 8.647 0.00 . 1 . . . . . 70 LYS H . 51171 1 263 . 1 . 1 71 71 LYS C C 13 175.330 0.00 . 1 . . . . . 70 LYS C . 51171 1 264 . 1 . 1 71 71 LYS CA C 13 53.634 0.03 . 1 . . . . . 70 LYS CA . 51171 1 265 . 1 . 1 71 71 LYS N N 15 118.833 0.00 . 1 . . . . . 70 LYS N . 51171 1 266 . 1 . 1 72 72 VAL H H 1 9.245 0.00 . 1 . . . . . 71 VAL H . 51171 1 267 . 1 . 1 72 72 VAL C C 13 173.818 0.00 . 1 . . . . . 71 VAL C . 51171 1 268 . 1 . 1 72 72 VAL CA C 13 61.225 0.02 . 1 . . . . . 71 VAL CA . 51171 1 269 . 1 . 1 72 72 VAL N N 15 126.897 0.01 . 1 . . . . . 71 VAL N . 51171 1 270 . 1 . 1 73 73 GLU H H 1 9.519 0.00 . 1 . . . . . 72 GLU H . 51171 1 271 . 1 . 1 73 73 GLU C C 13 174.898 0.00 . 1 . . . . . 72 GLU C . 51171 1 272 . 1 . 1 73 73 GLU CA C 13 54.773 0.03 . 1 . . . . . 72 GLU CA . 51171 1 273 . 1 . 1 73 73 GLU N N 15 126.807 0.01 . 1 . . . . . 72 GLU N . 51171 1 274 . 1 . 1 74 74 ILE H H 1 9.027 0.00 . 1 . . . . . 73 ILE H . 51171 1 275 . 1 . 1 74 74 ILE C C 13 175.538 0.00 . 1 . . . . . 73 ILE C . 51171 1 276 . 1 . 1 74 74 ILE CA C 13 60.153 0.02 . 1 . . . . . 73 ILE CA . 51171 1 277 . 1 . 1 74 74 ILE N N 15 125.503 0.01 . 1 . . . . . 73 ILE N . 51171 1 278 . 1 . 1 75 75 ASP H H 1 8.581 0.00 . 1 . . . . . 74 ASP H . 51171 1 279 . 1 . 1 75 75 ASP C C 13 176.238 0.00 . 1 . . . . . 74 ASP C . 51171 1 280 . 1 . 1 75 75 ASP CA C 13 53.614 0.06 . 1 . . . . . 74 ASP CA . 51171 1 281 . 1 . 1 75 75 ASP N N 15 127.240 0.01 . 1 . . . . . 74 ASP N . 51171 1 282 . 1 . 1 76 76 THR H H 1 8.174 0.00 . 1 . . . . . 75 THR H . 51171 1 283 . 1 . 1 76 76 THR C C 13 175.715 0.00 . 1 . . . . . 75 THR C . 51171 1 284 . 1 . 1 76 76 THR CA C 13 63.111 0.05 . 1 . . . . . 75 THR CA . 51171 1 285 . 1 . 1 76 76 THR N N 15 116.897 0.01 . 1 . . . . . 75 THR N . 51171 1 286 . 1 . 1 77 77 LYS H H 1 8.153 0.00 . 1 . . . . . 76 LYS H . 51171 1 287 . 1 . 1 77 77 LYS C C 13 178.750 0.00 . 1 . . . . . 76 LYS C . 51171 1 288 . 1 . 1 77 77 LYS CA C 13 60.863 0.04 . 1 . . . . . 76 LYS CA . 51171 1 289 . 1 . 1 77 77 LYS N N 15 124.165 0.00 . 1 . . . . . 76 LYS N . 51171 1 290 . 1 . 1 78 78 SER H H 1 8.492 0.00 . 1 . . . . . 77 SER H . 51171 1 291 . 1 . 1 78 78 SER C C 13 176.323 0.00 . 1 . . . . . 77 SER C . 51171 1 292 . 1 . 1 78 78 SER CA C 13 61.660 0.00 . 1 . . . . . 77 SER CA . 51171 1 293 . 1 . 1 78 78 SER N N 15 113.468 0.00 . 1 . . . . . 77 SER N . 51171 1 294 . 1 . 1 79 79 TYR H H 1 7.117 0.00 . 1 . . . . . 78 TYR H . 51171 1 295 . 1 . 1 79 79 TYR C C 13 176.605 0.00 . 1 . . . . . 78 TYR C . 51171 1 296 . 1 . 1 79 79 TYR CA C 13 60.991 0.03 . 1 . . . . . 78 TYR CA . 51171 1 297 . 1 . 1 79 79 TYR N N 15 122.627 0.00 . 1 . . . . . 78 TYR N . 51171 1 298 . 1 . 1 80 80 TRP H H 1 7.812 0.00 . 1 . . . . . 79 TRP H . 51171 1 299 . 1 . 1 80 80 TRP C C 13 179.515 0.00 . 1 . . . . . 79 TRP C . 51171 1 300 . 1 . 1 80 80 TRP CA C 13 58.940 0.03 . 1 . . . . . 79 TRP CA . 51171 1 301 . 1 . 1 80 80 TRP N N 15 116.841 0.00 . 1 . . . . . 79 TRP N . 51171 1 302 . 1 . 1 81 81 LYS H H 1 8.356 0.00 . 1 . . . . . 80 LYS H . 51171 1 303 . 1 . 1 81 81 LYS C C 13 180.721 0.00 . 1 . . . . . 80 LYS C . 51171 1 304 . 1 . 1 81 81 LYS CA C 13 59.404 0.03 . 1 . . . . . 80 LYS CA . 51171 1 305 . 1 . 1 81 81 LYS N N 15 119.665 0.00 . 1 . . . . . 80 LYS N . 51171 1 306 . 1 . 1 82 82 ALA H H 1 7.354 0.00 . 1 . . . . . 81 ALA H . 51171 1 307 . 1 . 1 82 82 ALA C C 13 178.576 0.00 . 1 . . . . . 81 ALA C . 51171 1 308 . 1 . 1 82 82 ALA CA C 13 54.380 0.06 . 1 . . . . . 81 ALA CA . 51171 1 309 . 1 . 1 82 82 ALA CB C 13 17.778 0.07 . 1 . . . . . 81 ALA CB . 51171 1 310 . 1 . 1 82 82 ALA N N 15 121.403 0.01 . 1 . . . . . 81 ALA N . 51171 1 311 . 1 . 1 83 83 LEU H H 1 7.200 0.00 . 1 . . . . . 82 LEU H . 51171 1 312 . 1 . 1 83 83 LEU C C 13 177.310 0.00 . 1 . . . . . 82 LEU C . 51171 1 313 . 1 . 1 83 83 LEU CA C 13 54.389 0.00 . 1 . . . . . 82 LEU CA . 51171 1 314 . 1 . 1 83 83 LEU N N 15 117.285 0.05 . 1 . . . . . 82 LEU N . 51171 1 315 . 1 . 1 84 84 GLY H H 1 7.884 0.00 . 1 . . . . . 83 GLY H . 51171 1 316 . 1 . 1 84 84 GLY C C 13 174.120 0.00 . 1 . . . . . 83 GLY C . 51171 1 317 . 1 . 1 84 84 GLY CA C 13 45.738 0.07 . 1 . . . . . 83 GLY CA . 51171 1 318 . 1 . 1 84 84 GLY N N 15 107.849 0.00 . 1 . . . . . 83 GLY N . 51171 1 319 . 1 . 1 85 85 ILE H H 1 7.754 0.00 . 1 . . . . . 84 ILE H . 51171 1 320 . 1 . 1 85 85 ILE C C 13 174.443 0.00 . 1 . . . . . 84 ILE C . 51171 1 321 . 1 . 1 85 85 ILE CA C 13 59.634 0.03 . 1 . . . . . 84 ILE CA . 51171 1 322 . 1 . 1 85 85 ILE N N 15 121.738 0.01 . 1 . . . . . 84 ILE N . 51171 1 323 . 1 . 1 86 86 SER H H 1 8.449 0.00 . 1 . . . . . 85 SER H . 51171 1 324 . 1 . 1 86 86 SER CB C 13 62.948 0.00 . 1 . . . . . 85 SER CB . 51171 1 325 . 1 . 1 86 86 SER N N 15 122.233 0.03 . 1 . . . . . 85 SER N . 51171 1 326 . 1 . 1 93 93 GLU C C 13 174.576 0.00 . 1 . . . . . 92 GLU C . 51171 1 327 . 1 . 1 93 93 GLU CA C 13 54.283 0.04 . 1 . . . . . 92 GLU CA . 51171 1 328 . 1 . 1 94 94 VAL H H 1 8.519 0.00 . 1 . . . . . 93 VAL H . 51171 1 329 . 1 . 1 94 94 VAL C C 13 172.254 0.00 . 1 . . . . . 93 VAL C . 51171 1 330 . 1 . 1 94 94 VAL CA C 13 60.791 0.02 . 1 . . . . . 93 VAL CA . 51171 1 331 . 1 . 1 94 94 VAL N N 15 119.508 0.01 . 1 . . . . . 93 VAL N . 51171 1 332 . 1 . 1 95 95 VAL H H 1 8.418 0.00 . 1 . . . . . 94 VAL H . 51171 1 333 . 1 . 1 95 95 VAL C C 13 175.607 0.00 . 1 . . . . . 94 VAL C . 51171 1 334 . 1 . 1 95 95 VAL CA C 13 60.783 0.02 . 1 . . . . . 94 VAL CA . 51171 1 335 . 1 . 1 95 95 VAL N N 15 128.086 0.00 . 1 . . . . . 94 VAL N . 51171 1 336 . 1 . 1 96 96 PHE H H 1 9.267 0.00 . 1 . . . . . 95 PHE H . 51171 1 337 . 1 . 1 96 96 PHE C C 13 171.748 0.00 . 1 . . . . . 95 PHE C . 51171 1 338 . 1 . 1 96 96 PHE CA C 13 55.870 0.03 . 1 . . . . . 95 PHE CA . 51171 1 339 . 1 . 1 96 96 PHE N N 15 124.514 0.01 . 1 . . . . . 95 PHE N . 51171 1 340 . 1 . 1 97 97 THR H H 1 8.488 0.00 . 1 . . . . . 96 THR H . 51171 1 341 . 1 . 1 97 97 THR C C 13 173.269 0.00 . 1 . . . . . 96 THR C . 51171 1 342 . 1 . 1 97 97 THR CA C 13 61.898 0.03 . 1 . . . . . 96 THR CA . 51171 1 343 . 1 . 1 97 97 THR N N 15 116.508 0.01 . 1 . . . . . 96 THR N . 51171 1 344 . 1 . 1 98 98 ALA H H 1 9.021 0.00 . 1 . . . . . 97 ALA H . 51171 1 345 . 1 . 1 98 98 ALA C C 13 174.469 0.00 . 1 . . . . . 97 ALA C . 51171 1 346 . 1 . 1 98 98 ALA CA C 13 50.043 0.10 . 1 . . . . . 97 ALA CA . 51171 1 347 . 1 . 1 98 98 ALA N N 15 130.028 0.03 . 1 . . . . . 97 ALA N . 51171 1 348 . 1 . 1 99 99 ASN H H 1 8.786 0.00 . 1 . . . . . 98 ASN H . 51171 1 349 . 1 . 1 99 99 ASN C C 13 176.130 0.00 . 1 . . . . . 98 ASN C . 51171 1 350 . 1 . 1 99 99 ASN CA C 13 53.545 0.00 . 1 . . . . . 98 ASN CA . 51171 1 351 . 1 . 1 99 99 ASN N N 15 125.767 0.03 . 1 . . . . . 98 ASN N . 51171 1 352 . 1 . 1 100 100 ASP H H 1 9.162 0.00 . 1 . . . . . 99 ASP H . 51171 1 353 . 1 . 1 100 100 ASP C C 13 176.260 0.00 . 1 . . . . . 99 ASP C . 51171 1 354 . 1 . 1 100 100 ASP CA C 13 54.663 0.00 . 1 . . . . . 99 ASP CA . 51171 1 355 . 1 . 1 100 100 ASP N N 15 122.203 0.03 . 1 . . . . . 99 ASP N . 51171 1 356 . 1 . 1 101 101 SER H H 1 8.205 0.00 . 1 . . . . . 100 SER H . 51171 1 357 . 1 . 1 101 101 SER C C 13 174.614 0.00 . 1 . . . . . 100 SER C . 51171 1 358 . 1 . 1 101 101 SER CA C 13 58.772 0.03 . 1 . . . . . 100 SER CA . 51171 1 359 . 1 . 1 101 101 SER N N 15 114.974 0.01 . 1 . . . . . 100 SER N . 51171 1 360 . 1 . 1 102 102 GLY H H 1 8.210 0.00 . 1 . . . . . 101 GLY H . 51171 1 361 . 1 . 1 102 102 GLY CA C 13 44.614 0.00 . 1 . . . . . 101 GLY CA . 51171 1 362 . 1 . 1 102 102 GLY N N 15 109.494 0.03 . 1 . . . . . 101 GLY N . 51171 1 363 . 1 . 1 103 103 PRO C C 13 174.027 0.00 . 1 . . . . . 102 PRO C . 51171 1 364 . 1 . 1 104 104 ARG H H 1 8.635 0.00 . 1 . . . . . 103 ARG H . 51171 1 365 . 1 . 1 104 104 ARG C C 13 177.522 0.00 . 1 . . . . . 103 ARG C . 51171 1 366 . 1 . 1 104 104 ARG CA C 13 56.552 0.05 . 1 . . . . . 103 ARG CA . 51171 1 367 . 1 . 1 104 104 ARG N N 15 124.921 0.00 . 1 . . . . . 103 ARG N . 51171 1 368 . 1 . 1 105 105 ARG H H 1 7.908 0.01 . 1 . . . . . 104 ARG H . 51171 1 369 . 1 . 1 105 105 ARG C C 13 175.966 0.00 . 1 . . . . . 104 ARG C . 51171 1 370 . 1 . 1 105 105 ARG CA C 13 53.836 0.06 . 1 . . . . . 104 ARG CA . 51171 1 371 . 1 . 1 105 105 ARG N N 15 116.133 0.03 . 1 . . . . . 104 ARG N . 51171 1 372 . 1 . 1 106 106 TYR H H 1 8.579 0.01 . 1 . . . . . 105 TYR H . 51171 1 373 . 1 . 1 106 106 TYR C C 13 175.383 0.00 . 1 . . . . . 105 TYR C . 51171 1 374 . 1 . 1 106 106 TYR CA C 13 57.338 0.13 . 1 . . . . . 105 TYR CA . 51171 1 375 . 1 . 1 106 106 TYR N N 15 120.712 0.19 . 1 . . . . . 105 TYR N . 51171 1 376 . 1 . 1 107 107 THR H H 1 8.886 0.00 . 1 . . . . . 106 THR H . 51171 1 377 . 1 . 1 107 107 THR C C 13 172.791 0.00 . 1 . . . . . 106 THR C . 51171 1 378 . 1 . 1 107 107 THR CA C 13 61.313 0.00 . 1 . . . . . 106 THR CA . 51171 1 379 . 1 . 1 107 107 THR N N 15 119.812 0.01 . 1 . . . . . 106 THR N . 51171 1 380 . 1 . 1 108 108 ILE H H 1 8.872 0.00 . 1 . . . . . 107 ILE H . 51171 1 381 . 1 . 1 108 108 ILE C C 13 173.170 0.00 . 1 . . . . . 107 ILE C . 51171 1 382 . 1 . 1 108 108 ILE N N 15 128.743 0.00 . 1 . . . . . 107 ILE N . 51171 1 383 . 1 . 1 109 109 ALA H H 1 8.693 0.00 . 1 . . . . . 108 ALA H . 51171 1 384 . 1 . 1 109 109 ALA CA C 13 49.809 0.00 . 1 . . . . . 108 ALA CA . 51171 1 385 . 1 . 1 109 109 ALA N N 15 130.115 0.02 . 1 . . . . . 108 ALA N . 51171 1 386 . 1 . 1 118 118 SER H H 1 8.492 0.00 . 1 . . . . . 117 SER H . 51171 1 387 . 1 . 1 118 118 SER C C 13 176.181 0.00 . 1 . . . . . 117 SER C . 51171 1 388 . 1 . 1 118 118 SER CA C 13 61.700 0.01 . 1 . . . . . 117 SER CA . 51171 1 389 . 1 . 1 118 118 SER N N 15 113.467 0.00 . 1 . . . . . 117 SER N . 51171 1 390 . 1 . 1 119 119 THR H H 1 7.942 0.01 . 1 . . . . . 118 THR H . 51171 1 391 . 1 . 1 119 119 THR C C 13 174.534 0.00 . 1 . . . . . 118 THR C . 51171 1 392 . 1 . 1 119 119 THR CA C 13 57.929 0.04 . 1 . . . . . 118 THR CA . 51171 1 393 . 1 . 1 119 119 THR N N 15 119.648 0.03 . 1 . . . . . 118 THR N . 51171 1 394 . 1 . 1 120 120 THR H H 1 8.146 0.00 . 1 . . . . . 119 THR H . 51171 1 395 . 1 . 1 120 120 THR C C 13 174.055 0.00 . 1 . . . . . 119 THR C . 51171 1 396 . 1 . 1 120 120 THR CA C 13 61.824 0.06 . 1 . . . . . 119 THR CA . 51171 1 397 . 1 . 1 120 120 THR N N 15 115.754 0.01 . 1 . . . . . 119 THR N . 51171 1 398 . 1 . 1 121 121 ALA H H 1 8.155 0.00 . 1 . . . . . 120 ALA H . 51171 1 399 . 1 . 1 121 121 ALA C C 13 177.282 0.00 . 1 . . . . . 120 ALA C . 51171 1 400 . 1 . 1 121 121 ALA CA C 13 52.365 0.04 . 1 . . . . . 120 ALA CA . 51171 1 401 . 1 . 1 121 121 ALA CB C 13 19.191 0.02 . 1 . . . . . 120 ALA CB . 51171 1 402 . 1 . 1 121 121 ALA N N 15 126.868 0.02 . 1 . . . . . 120 ALA N . 51171 1 403 . 1 . 1 122 122 VAL H H 1 8.024 0.00 . 1 . . . . . 121 VAL H . 51171 1 404 . 1 . 1 122 122 VAL C C 13 176.094 0.00 . 1 . . . . . 121 VAL C . 51171 1 405 . 1 . 1 122 122 VAL CA C 13 62.216 0.04 . 1 . . . . . 121 VAL CA . 51171 1 406 . 1 . 1 122 122 VAL CB C 13 32.671 0.03 . 1 . . . . . 121 VAL CB . 51171 1 407 . 1 . 1 122 122 VAL N N 15 120.195 0.01 . 1 . . . . . 121 VAL N . 51171 1 408 . 1 . 1 123 123 VAL H H 1 8.206 0.00 . 1 . . . . . 122 VAL H . 51171 1 409 . 1 . 1 123 123 VAL C C 13 176.103 0.00 . 1 . . . . . 122 VAL C . 51171 1 410 . 1 . 1 123 123 VAL CA C 13 62.075 0.00 . 1 . . . . . 122 VAL CA . 51171 1 411 . 1 . 1 123 123 VAL CB C 13 32.663 0.00 . 1 . . . . . 122 VAL CB . 51171 1 412 . 1 . 1 123 123 VAL N N 15 124.986 0.00 . 1 . . . . . 122 VAL N . 51171 1 413 . 1 . 1 124 124 THR H H 1 8.178 0.00 . 1 . . . . . 123 THR H . 51171 1 414 . 1 . 1 124 124 THR C C 13 173.804 0.00 . 1 . . . . . 123 THR C . 51171 1 415 . 1 . 1 124 124 THR CA C 13 61.605 0.03 . 1 . . . . . 123 THR CA . 51171 1 416 . 1 . 1 124 124 THR CB C 13 69.922 0.00 . 1 . . . . . 123 THR CB . 51171 1 417 . 1 . 1 124 124 THR N N 15 118.778 0.01 . 1 . . . . . 123 THR N . 51171 1 418 . 1 . 1 125 125 ASN H H 1 8.408 0.00 . 1 . . . . . 124 ASN H . 51171 1 419 . 1 . 1 125 125 ASN CA C 13 51.292 0.00 . 1 . . . . . 124 ASN CA . 51171 1 420 . 1 . 1 125 125 ASN CB C 13 38.696 0.00 . 1 . . . . . 124 ASN CB . 51171 1 421 . 1 . 1 125 125 ASN N N 15 122.255 0.00 . 1 . . . . . 124 ASN N . 51171 1 422 . 1 . 1 126 126 PRO C C 13 176.600 0.00 . 1 . . . . . 125 PRO C . 51171 1 423 . 1 . 1 126 126 PRO CA C 13 63.215 0.00 . 1 . . . . . 125 PRO CA . 51171 1 424 . 1 . 1 127 127 LYS H H 1 8.256 0.00 . 1 . . . . . 126 LYS H . 51171 1 425 . 1 . 1 127 127 LYS C C 13 175.599 0.00 . 1 . . . . . 126 LYS C . 51171 1 426 . 1 . 1 127 127 LYS CA C 13 56.222 0.02 . 1 . . . . . 126 LYS CA . 51171 1 427 . 1 . 1 127 127 LYS CB C 13 32.750 0.11 . 1 . . . . . 126 LYS CB . 51171 1 428 . 1 . 1 127 127 LYS N N 15 121.441 0.03 . 1 . . . . . 126 LYS N . 51171 1 429 . 1 . 1 128 128 GLU H H 1 7.824 0.00 . 1 . . . . . 127 GLU H . 51171 1 430 . 1 . 1 128 128 GLU CA C 13 57.909 0.00 . 1 . . . . . 127 GLU CA . 51171 1 431 . 1 . 1 128 128 GLU CB C 13 31.032 0.00 . 1 . . . . . 127 GLU CB . 51171 1 432 . 1 . 1 128 128 GLU N N 15 126.992 0.00 . 1 . . . . . 127 GLU N . 51171 1 stop_ save_