################################### # 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 53394 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name PPARg2_ABdomain_Backbone_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 1 '2D 1H-15N HSQC' . . . 53394 1 2 '3D HNCACB' . . . 53394 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 1 $software_1 . . 53394 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 GLU H H 1 8.83831 0.0 . 1 . . . . . 3 GLU H . 53394 1 2 . 1 . 1 3 3 GLU CA C 13 57.48849 0.0 . 1 . . . . . 3 GLU CA . 53394 1 3 . 1 . 1 3 3 GLU CB C 13 29.72504 0.0 . 1 . . . . . 3 GLU CB . 53394 1 4 . 1 . 1 3 3 GLU N N 15 121.31675 0.0 . 1 . . . . . 3 GLU N . 53394 1 5 . 1 . 1 4 4 THR H H 1 8.48936 0.0 . 1 . . . . . 4 THR H . 53394 1 6 . 1 . 1 4 4 THR CA C 13 61.73562 0.0 . 1 . . . . . 4 THR CA . 53394 1 7 . 1 . 1 4 4 THR CB C 13 69.8717 0.0 . 1 . . . . . 4 THR CB . 53394 1 8 . 1 . 1 4 4 THR N N 15 116.14451 0.0 . 1 . . . . . 4 THR N . 53394 1 9 . 1 . 1 5 5 LEU H H 1 8.55664 0.0 . 1 . . . . . 5 LEU H . 53394 1 10 . 1 . 1 5 5 LEU CA C 13 55.36625 0.0 . 1 . . . . . 5 LEU CA . 53394 1 11 . 1 . 1 5 5 LEU CB C 13 42.26036 0.0 . 1 . . . . . 5 LEU CB . 53394 1 12 . 1 . 1 5 5 LEU N N 15 125.68073 0.0 . 1 . . . . . 5 LEU N . 53394 1 13 . 1 . 1 6 6 GLY H H 1 8.53567 0.0 . 1 . . . . . 6 GLY H . 53394 1 14 . 1 . 1 6 6 GLY CA C 13 45.11945 0.0 . 1 . . . . . 6 GLY CA . 53394 1 15 . 1 . 1 6 6 GLY N N 15 110.31586 0.0 . 1 . . . . . 6 GLY N . 53394 1 16 . 1 . 1 7 7 ASP H H 1 8.34379 0.0 . 1 . . . . . 7 ASP H . 53394 1 17 . 1 . 1 7 7 ASP CA C 13 54.22193 0.0 . 1 . . . . . 7 ASP CA . 53394 1 18 . 1 . 1 7 7 ASP CB C 13 41.25037 0.0 . 1 . . . . . 7 ASP CB . 53394 1 19 . 1 . 1 7 7 ASP N N 15 120.52161 0.0 . 1 . . . . . 7 ASP N . 53394 1 20 . 1 . 1 8 8 SER H H 1 8.39682 0.0 . 1 . . . . . 8 SER H . 53394 1 21 . 1 . 1 8 8 SER CA C 13 56.64451 0.0 . 1 . . . . . 8 SER CA . 53394 1 22 . 1 . 1 8 8 SER CB C 13 63.20337 0.0 . 1 . . . . . 8 SER CB . 53394 1 23 . 1 . 1 8 8 SER N N 15 117.6245 0.0 . 1 . . . . . 8 SER N . 53394 1 24 . 1 . 1 9 9 PRO CA C 13 63.04564 0.0 . 1 . . . . . 9 PRO CA . 53394 1 25 . 1 . 1 9 9 PRO CB C 13 32.13191 0.0 . 1 . . . . . 9 PRO CB . 53394 1 26 . 1 . 1 10 10 ILE H H 1 8.38543 0.0 . 1 . . . . . 10 ILE H . 53394 1 27 . 1 . 1 10 10 ILE CA C 13 60.8967 0.0 . 1 . . . . . 10 ILE CA . 53394 1 28 . 1 . 1 10 10 ILE CB C 13 38.86114 0.0 . 1 . . . . . 10 ILE CB . 53394 1 29 . 1 . 1 10 10 ILE N N 15 121.83184 0.0 . 1 . . . . . 10 ILE N . 53394 1 30 . 1 . 1 11 11 ASP H H 1 8.63794 0.0 . 1 . . . . . 11 ASP H . 53394 1 31 . 1 . 1 11 11 ASP CA C 13 52.12375 0.0 . 1 . . . . . 11 ASP CA . 53394 1 32 . 1 . 1 11 11 ASP CB C 13 40.9807 0.0 . 1 . . . . . 11 ASP CB . 53394 1 33 . 1 . 1 11 11 ASP N N 15 126.6785 0.0 . 1 . . . . . 11 ASP N . 53394 1 34 . 1 . 1 12 12 PRO CA C 13 63.51046 0.0 . 1 . . . . . 12 PRO CA . 53394 1 35 . 1 . 1 12 12 PRO CB C 13 32.24994 0.0 . 1 . . . . . 12 PRO CB . 53394 1 36 . 1 . 1 13 13 GLU H H 1 8.5489 0.0 . 1 . . . . . 13 GLU H . 53394 1 37 . 1 . 1 13 13 GLU CA C 13 56.60496 0.0 . 1 . . . . . 13 GLU CA . 53394 1 38 . 1 . 1 13 13 GLU CB C 13 29.86963 0.0 . 1 . . . . . 13 GLU CB . 53394 1 39 . 1 . 1 13 13 GLU N N 15 119.55275 0.0 . 1 . . . . . 13 GLU N . 53394 1 40 . 1 . 1 14 14 SER H H 1 8.17906 0.0 . 1 . . . . . 14 SER H . 53394 1 41 . 1 . 1 14 14 SER CA C 13 58.69228 0.0 . 1 . . . . . 14 SER CA . 53394 1 42 . 1 . 1 14 14 SER CB C 13 63.99086 0.0 . 1 . . . . . 14 SER CB . 53394 1 43 . 1 . 1 14 14 SER N N 15 116.3369 0.0 . 1 . . . . . 14 SER N . 53394 1 44 . 1 . 1 15 15 ASP H H 1 8.51975 0.0 . 1 . . . . . 15 ASP H . 53394 1 45 . 1 . 1 15 15 ASP CA C 13 54.55348 0.0 . 1 . . . . . 15 ASP CA . 53394 1 46 . 1 . 1 15 15 ASP CB C 13 41.045 0.0 . 1 . . . . . 15 ASP CB . 53394 1 47 . 1 . 1 15 15 ASP N N 15 123.0782 0.0 . 1 . . . . . 15 ASP N . 53394 1 48 . 1 . 1 16 16 SER H H 1 8.27004 0.0 . 1 . . . . . 16 SER H . 53394 1 49 . 1 . 1 16 16 SER CA C 13 58.65515 0.0 . 1 . . . . . 16 SER CA . 53394 1 50 . 1 . 1 16 16 SER CB C 13 63.66281 0.0 . 1 . . . . . 16 SER CB . 53394 1 51 . 1 . 1 16 16 SER N N 15 115.82631 0.0 . 1 . . . . . 16 SER N . 53394 1 52 . 1 . 1 17 17 PHE H H 1 8.33416 0.0 . 1 . . . . . 17 PHE H . 53394 1 53 . 1 . 1 17 17 PHE CA C 13 58.24784 0.0 . 1 . . . . . 17 PHE CA . 53394 1 54 . 1 . 1 17 17 PHE CB C 13 39.4667 0.0 . 1 . . . . . 17 PHE CB . 53394 1 55 . 1 . 1 17 17 PHE N N 15 122.53122 0.0 . 1 . . . . . 17 PHE N . 53394 1 56 . 1 . 1 18 18 THR H H 1 8.11654 0.0 . 1 . . . . . 18 THR H . 53394 1 57 . 1 . 1 18 18 THR CA C 13 62.12114 0.0 . 1 . . . . . 18 THR CA . 53394 1 58 . 1 . 1 18 18 THR CB C 13 69.83683 0.0 . 1 . . . . . 18 THR CB . 53394 1 59 . 1 . 1 18 18 THR N N 15 116.57208 0.0 . 1 . . . . . 18 THR N . 53394 1 60 . 1 . 1 19 19 ASP H H 1 8.39808 0.0 . 1 . . . . . 19 ASP H . 53394 1 61 . 1 . 1 19 19 ASP CA C 13 54.40203 0.0 . 1 . . . . . 19 ASP CA . 53394 1 62 . 1 . 1 19 19 ASP CB C 13 41.01114 0.0 . 1 . . . . . 19 ASP CB . 53394 1 63 . 1 . 1 19 19 ASP N N 15 123.46878 0.0 . 1 . . . . . 19 ASP N . 53394 1 64 . 1 . 1 20 20 THR H H 1 8.23323 0.0 . 1 . . . . . 20 THR H . 53394 1 65 . 1 . 1 20 20 THR CA C 13 62.53738 0.0 . 1 . . . . . 20 THR CA . 53394 1 66 . 1 . 1 20 20 THR CB C 13 69.54107 0.0 . 1 . . . . . 20 THR CB . 53394 1 67 . 1 . 1 20 20 THR N N 15 115.26425 0.0 . 1 . . . . . 20 THR N . 53394 1 68 . 1 . 1 21 21 LEU H H 1 8.33258 0.0 . 1 . . . . . 21 LEU H . 53394 1 69 . 1 . 1 21 21 LEU CA C 13 55.64705 0.0 . 1 . . . . . 21 LEU CA . 53394 1 70 . 1 . 1 21 21 LEU CB C 13 42.03989 0.0 . 1 . . . . . 21 LEU CB . 53394 1 71 . 1 . 1 21 21 LEU N N 15 124.37199 0.0 . 1 . . . . . 21 LEU N . 53394 1 72 . 1 . 1 22 22 SER H H 1 8.32052 0.0 . 1 . . . . . 22 SER H . 53394 1 73 . 1 . 1 22 22 SER CA C 13 58.72492 0.0 . 1 . . . . . 22 SER CA . 53394 1 74 . 1 . 1 22 22 SER CB C 13 63.58006 0.0 . 1 . . . . . 22 SER CB . 53394 1 75 . 1 . 1 22 22 SER N N 15 116.6775 0.0 . 1 . . . . . 22 SER N . 53394 1 76 . 1 . 1 23 23 ALA H H 1 8.34287 0.0 . 1 . . . . . 23 ALA H . 53394 1 77 . 1 . 1 23 23 ALA CA C 13 52.733 0.0 . 1 . . . . . 23 ALA CA . 53394 1 78 . 1 . 1 23 23 ALA CB C 13 19.17412 0.0 . 1 . . . . . 23 ALA CB . 53394 1 79 . 1 . 1 23 23 ALA N N 15 125.71488 0.0 . 1 . . . . . 23 ALA N . 53394 1 80 . 1 . 1 24 24 ASN H H 1 8.42845 0.0 . 1 . . . . . 24 ASN H . 53394 1 81 . 1 . 1 24 24 ASN CA C 13 53.31821 0.0 . 1 . . . . . 24 ASN CA . 53394 1 82 . 1 . 1 24 24 ASN N N 15 117.98334 0.0 . 1 . . . . . 24 ASN N . 53394 1 83 . 1 . 1 25 25 ILE H H 1 8.17741 0.0 . 1 . . . . . 25 ILE H . 53394 1 84 . 1 . 1 25 25 ILE CA C 13 61.27329 0.0 . 1 . . . . . 25 ILE CA . 53394 1 85 . 1 . 1 25 25 ILE N N 15 121.55391 0.0 . 1 . . . . . 25 ILE N . 53394 1 86 . 1 . 1 26 26 SER H H 1 8.4773 0.0 . 1 . . . . . 26 SER H . 53394 1 87 . 1 . 1 26 26 SER CA C 13 58.52171 0.0 . 1 . . . . . 26 SER CA . 53394 1 88 . 1 . 1 26 26 SER CB C 13 63.67479 0.0 . 1 . . . . . 26 SER CB . 53394 1 89 . 1 . 1 26 26 SER N N 15 120.36811 0.0 . 1 . . . . . 26 SER N . 53394 1 90 . 1 . 1 27 27 GLN H H 1 8.58237 0.0 . 1 . . . . . 27 GLN H . 53394 1 91 . 1 . 1 27 27 GLN CA C 13 55.9593 0.0 . 1 . . . . . 27 GLN CA . 53394 1 92 . 1 . 1 27 27 GLN CB C 13 29.41987 0.0 . 1 . . . . . 27 GLN CB . 53394 1 93 . 1 . 1 27 27 GLN N N 15 122.89443 0.0 . 1 . . . . . 27 GLN N . 53394 1 94 . 1 . 1 28 28 GLU H H 1 8.52375 0.0 . 1 . . . . . 28 GLU H . 53394 1 95 . 1 . 1 28 28 GLU CA C 13 56.84423 0.0 . 1 . . . . . 28 GLU CA . 53394 1 96 . 1 . 1 28 28 GLU CB C 13 30.12232 0.0 . 1 . . . . . 28 GLU CB . 53394 1 97 . 1 . 1 28 28 GLU N N 15 122.04724 0.0 . 1 . . . . . 28 GLU N . 53394 1 98 . 1 . 1 29 29 MET H H 1 8.50764 0.0 . 1 . . . . . 29 MET H . 53394 1 99 . 1 . 1 29 29 MET CA C 13 55.46101 0.0 . 1 . . . . . 29 MET CA . 53394 1 100 . 1 . 1 29 29 MET CB C 13 32.84289 0.0 . 1 . . . . . 29 MET CB . 53394 1 101 . 1 . 1 29 29 MET N N 15 121.77272 0.0 . 1 . . . . . 29 MET N . 53394 1 102 . 1 . 1 30 30 THR H H 1 8.29975 0.0 . 1 . . . . . 30 THR H . 53394 1 103 . 1 . 1 30 30 THR CA C 13 62.21919 0.0 . 1 . . . . . 30 THR CA . 53394 1 104 . 1 . 1 30 30 THR CB C 13 69.77529 0.0 . 1 . . . . . 30 THR CB . 53394 1 105 . 1 . 1 30 30 THR N N 15 116.48513 0.0 . 1 . . . . . 30 THR N . 53394 1 106 . 1 . 1 31 31 MET H H 1 8.5381 0.0 . 1 . . . . . 31 MET H . 53394 1 107 . 1 . 1 31 31 MET CA C 13 55.33475 0.0 . 1 . . . . . 31 MET CA . 53394 1 108 . 1 . 1 31 31 MET CB C 13 32.77119 0.0 . 1 . . . . . 31 MET CB . 53394 1 109 . 1 . 1 31 31 MET N N 15 123.78198 0.0 . 1 . . . . . 31 MET N . 53394 1 110 . 1 . 1 32 32 VAL H H 1 8.25393 0.0 . 1 . . . . . 32 VAL H . 53394 1 111 . 1 . 1 32 32 VAL CA C 13 62.22619 0.0 . 1 . . . . . 32 VAL CA . 53394 1 112 . 1 . 1 32 32 VAL CB C 13 32.87618 0.0 . 1 . . . . . 32 VAL CB . 53394 1 113 . 1 . 1 32 32 VAL N N 15 121.86047 0.0 . 1 . . . . . 32 VAL N . 53394 1 114 . 1 . 1 33 33 ASP H H 1 8.55696 0.0 . 1 . . . . . 33 ASP H . 53394 1 115 . 1 . 1 33 33 ASP CA C 13 54.47046 0.0 . 1 . . . . . 33 ASP CA . 53394 1 116 . 1 . 1 33 33 ASP CB C 13 41.09727 0.0 . 1 . . . . . 33 ASP CB . 53394 1 117 . 1 . 1 33 33 ASP N N 15 124.59737 0.0 . 1 . . . . . 33 ASP N . 53394 1 118 . 1 . 1 34 34 THR H H 1 8.19302 0.0 . 1 . . . . . 34 THR H . 53394 1 119 . 1 . 1 34 34 THR CA C 13 62.15988 0.0 . 1 . . . . . 34 THR CA . 53394 1 120 . 1 . 1 34 34 THR CB C 13 69.62536 0.0 . 1 . . . . . 34 THR CB . 53394 1 121 . 1 . 1 34 34 THR N N 15 114.82176 0.0 . 1 . . . . . 34 THR N . 53394 1 122 . 1 . 1 35 35 GLU H H 1 8.47629 0.0 . 1 . . . . . 35 GLU H . 53394 1 123 . 1 . 1 35 35 GLU CA C 13 56.41539 0.0 . 1 . . . . . 35 GLU CA . 53394 1 124 . 1 . 1 35 35 GLU CB C 13 30.22414 0.0 . 1 . . . . . 35 GLU CB . 53394 1 125 . 1 . 1 35 35 GLU N N 15 123.10574 0.0 . 1 . . . . . 35 GLU N . 53394 1 126 . 1 . 1 36 36 MET H H 1 8.34215 0.0 . 1 . . . . . 36 MET H . 53394 1 127 . 1 . 1 36 36 MET CA C 13 53.33907 0.0 . 1 . . . . . 36 MET CA . 53394 1 128 . 1 . 1 36 36 MET CB C 13 32.21295 0.0 . 1 . . . . . 36 MET CB . 53394 1 129 . 1 . 1 36 36 MET N N 15 123.03548 0.0 . 1 . . . . . 36 MET N . 53394 1 130 . 1 . 1 37 37 PRO CA C 13 63.08583 0.0 . 1 . . . . . 37 PRO CA . 53394 1 131 . 1 . 1 37 37 PRO CB C 13 31.88818 0.0 . 1 . . . . . 37 PRO CB . 53394 1 132 . 1 . 1 38 38 PHE H H 1 8.16389 0.0 . 1 . . . . . 38 PHE H . 53394 1 133 . 1 . 1 38 38 PHE CA C 13 57.53739 0.0 . 1 . . . . . 38 PHE CA . 53394 1 134 . 1 . 1 38 38 PHE CB C 13 39.72265 0.0 . 1 . . . . . 38 PHE CB . 53394 1 135 . 1 . 1 38 38 PHE N N 15 120.24742 0.0 . 1 . . . . . 38 PHE N . 53394 1 136 . 1 . 1 39 39 TRP H H 1 8.08706 0.0 . 1 . . . . . 39 TRP H . 53394 1 137 . 1 . 1 39 39 TRP CA C 13 54.33667 0.0 . 1 . . . . . 39 TRP CA . 53394 1 138 . 1 . 1 39 39 TRP CB C 13 29.47565 0.0 . 1 . . . . . 39 TRP CB . 53394 1 139 . 1 . 1 39 39 TRP N N 15 125.24036 0.0 . 1 . . . . . 39 TRP N . 53394 1 140 . 1 . 1 40 40 PRO CA C 13 63.0546 0.0 . 1 . . . . . 40 PRO CA . 53394 1 141 . 1 . 1 40 40 PRO CB C 13 32.17004 0.0 . 1 . . . . . 40 PRO CB . 53394 1 142 . 1 . 1 41 41 THR H H 1 8.30381 0.0 . 1 . . . . . 41 THR H . 53394 1 143 . 1 . 1 41 41 THR CA C 13 62.21143 0.0 . 1 . . . . . 41 THR CA . 53394 1 144 . 1 . 1 41 41 THR CB C 13 69.74623 0.0 . 1 . . . . . 41 THR CB . 53394 1 145 . 1 . 1 41 41 THR N N 15 114.25713 0.0 . 1 . . . . . 41 THR N . 53394 1 146 . 1 . 1 42 42 ASN H H 1 8.47824 0.0 . 1 . . . . . 42 ASN H . 53394 1 147 . 1 . 1 42 42 ASN CA C 13 53.06451 0.0 . 1 . . . . . 42 ASN CA . 53394 1 148 . 1 . 1 42 42 ASN CB C 13 38.58625 0.0 . 1 . . . . . 42 ASN CB . 53394 1 149 . 1 . 1 42 42 ASN N N 15 120.46849 0.0 . 1 . . . . . 42 ASN N . 53394 1 150 . 1 . 1 43 43 PHE H H 1 8.32683 0.0 . 1 . . . . . 43 PHE H . 53394 1 151 . 1 . 1 43 43 PHE CA C 13 58.31509 0.0 . 1 . . . . . 43 PHE CA . 53394 1 152 . 1 . 1 43 43 PHE CB C 13 39.2765 0.0 . 1 . . . . . 43 PHE CB . 53394 1 153 . 1 . 1 43 43 PHE N N 15 120.92677 0.0 . 1 . . . . . 43 PHE N . 53394 1 154 . 1 . 1 44 44 GLY H H 1 8.38825 0.0 . 1 . . . . . 44 GLY H . 53394 1 155 . 1 . 1 44 44 GLY CA C 13 45.26792 0.0 . 1 . . . . . 44 GLY CA . 53394 1 156 . 1 . 1 44 44 GLY N N 15 110.64746 0.0 . 1 . . . . . 44 GLY N . 53394 1 157 . 1 . 1 45 45 ILE H H 1 8.01841 0.0 . 1 . . . . . 45 ILE H . 53394 1 158 . 1 . 1 45 45 ILE CA C 13 61.03728 0.0 . 1 . . . . . 45 ILE CA . 53394 1 159 . 1 . 1 45 45 ILE CB C 13 38.79206 0.0 . 1 . . . . . 45 ILE CB . 53394 1 160 . 1 . 1 45 45 ILE N N 15 120.26584 0.0 . 1 . . . . . 45 ILE N . 53394 1 161 . 1 . 1 46 46 SER H H 1 8.61396 0.0 . 1 . . . . . 46 SER H . 53394 1 162 . 1 . 1 46 46 SER CA C 13 58.19636 0.0 . 1 . . . . . 46 SER CA . 53394 1 163 . 1 . 1 46 46 SER CB C 13 63.85541 0.0 . 1 . . . . . 46 SER CB . 53394 1 164 . 1 . 1 46 46 SER N N 15 120.49668 0.0 . 1 . . . . . 46 SER N . 53394 1 165 . 1 . 1 47 47 SER H H 1 8.52577 0.0 . 1 . . . . . 47 SER H . 53394 1 166 . 1 . 1 47 47 SER CA C 13 58.54496 0.0 . 1 . . . . . 47 SER CA . 53394 1 167 . 1 . 1 47 47 SER CB C 13 63.72273 0.0 . 1 . . . . . 47 SER CB . 53394 1 168 . 1 . 1 47 47 SER N N 15 118.74612 0.0 . 1 . . . . . 47 SER N . 53394 1 169 . 1 . 1 48 48 VAL H H 1 8.16481 0.0 . 1 . . . . . 48 VAL H . 53394 1 170 . 1 . 1 48 48 VAL CA C 13 62.47402 0.0 . 1 . . . . . 48 VAL CA . 53394 1 171 . 1 . 1 48 48 VAL CB C 13 32.84532 0.0 . 1 . . . . . 48 VAL CB . 53394 1 172 . 1 . 1 48 48 VAL N N 15 121.62996 0.0 . 1 . . . . . 48 VAL N . 53394 1 173 . 1 . 1 49 49 ASP H H 1 8.40596 0.0 . 1 . . . . . 49 ASP H . 53394 1 174 . 1 . 1 49 49 ASP CA C 13 54.05445 0.0 . 1 . . . . . 49 ASP CA . 53394 1 175 . 1 . 1 49 49 ASP CB C 13 41.1393 0.0 . 1 . . . . . 49 ASP CB . 53394 1 176 . 1 . 1 49 49 ASP N N 15 124.2972 0.0 . 1 . . . . . 49 ASP N . 53394 1 177 . 1 . 1 50 50 LEU H H 1 8.47319 0.0 . 1 . . . . . 50 LEU H . 53394 1 178 . 1 . 1 50 50 LEU CA C 13 55.50318 0.0 . 1 . . . . . 50 LEU CA . 53394 1 179 . 1 . 1 50 50 LEU CB C 13 41.828 0.0 . 1 . . . . . 50 LEU CB . 53394 1 180 . 1 . 1 50 50 LEU N N 15 124.36267 0.0 . 1 . . . . . 50 LEU N . 53394 1 181 . 1 . 1 51 51 SER H H 1 8.48829 0.0 . 1 . . . . . 51 SER H . 53394 1 182 . 1 . 1 51 51 SER CA C 13 59.50211 0.0 . 1 . . . . . 51 SER CA . 53394 1 183 . 1 . 1 51 51 SER CB C 13 63.56577 0.0 . 1 . . . . . 51 SER CB . 53394 1 184 . 1 . 1 51 51 SER N N 15 116.76594 0.0 . 1 . . . . . 51 SER N . 53394 1 185 . 1 . 1 52 52 VAL H H 1 7.91557 0.0 . 1 . . . . . 52 VAL H . 53394 1 186 . 1 . 1 52 52 VAL CA C 13 62.43657 0.0 . 1 . . . . . 52 VAL CA . 53394 1 187 . 1 . 1 52 52 VAL CB C 13 32.48086 0.0 . 1 . . . . . 52 VAL CB . 53394 1 188 . 1 . 1 52 52 VAL N N 15 121.00541 0.0 . 1 . . . . . 52 VAL N . 53394 1 189 . 1 . 1 53 53 MET H H 1 8.33692 0.0 . 1 . . . . . 53 MET H . 53394 1 190 . 1 . 1 53 53 MET CA C 13 55.41585 0.0 . 1 . . . . . 53 MET CA . 53394 1 191 . 1 . 1 53 53 MET CB C 13 32.73453 0.0 . 1 . . . . . 53 MET CB . 53394 1 192 . 1 . 1 53 53 MET N N 15 123.71001 0.0 . 1 . . . . . 53 MET N . 53394 1 193 . 1 . 1 54 54 GLU H H 1 8.44391 0.0 . 1 . . . . . 54 GLU H . 53394 1 194 . 1 . 1 54 54 GLU CA C 13 56.57894 0.0 . 1 . . . . . 54 GLU CA . 53394 1 195 . 1 . 1 54 54 GLU CB C 13 30.5441 0.0 . 1 . . . . . 54 GLU CB . 53394 1 196 . 1 . 1 54 54 GLU N N 15 122.49661 0.0 . 1 . . . . . 54 GLU N . 53394 1 197 . 1 . 1 55 55 ASP H H 1 8.45038 0.0 . 1 . . . . . 55 ASP H . 53394 1 198 . 1 . 1 55 55 ASP CA C 13 54.11457 0.0 . 1 . . . . . 55 ASP CA . 53394 1 199 . 1 . 1 55 55 ASP N N 15 121.6111 0.0 . 1 . . . . . 55 ASP N . 53394 1 200 . 1 . 1 56 56 HIS H H 1 8.55067 0.0 . 1 . . . . . 56 HIS H . 53394 1 201 . 1 . 1 56 56 HIS CA C 13 56.03864 0.0 . 1 . . . . . 56 HIS CA . 53394 1 202 . 1 . 1 56 56 HIS CB C 13 29.81224 0.0 . 1 . . . . . 56 HIS CB . 53394 1 203 . 1 . 1 56 56 HIS N N 15 121.55914 0.0 . 1 . . . . . 56 HIS N . 53394 1 204 . 1 . 1 57 57 SER H H 1 8.4202 0.0 . 1 . . . . . 57 SER H . 53394 1 205 . 1 . 1 57 57 SER CA C 13 59.54669 0.0 . 1 . . . . . 57 SER CA . 53394 1 206 . 1 . 1 57 57 SER CB C 13 63.5995 0.0 . 1 . . . . . 57 SER CB . 53394 1 207 . 1 . 1 57 57 SER N N 15 116.81617 0.0 . 1 . . . . . 57 SER N . 53394 1 208 . 1 . 1 58 58 HIS H H 1 8.38252 0.0 . 1 . . . . . 58 HIS H . 53394 1 209 . 1 . 1 58 58 HIS CA C 13 56.09405 0.0 . 1 . . . . . 58 HIS CA . 53394 1 210 . 1 . 1 58 58 HIS CB C 13 29.79653 0.0 . 1 . . . . . 58 HIS CB . 53394 1 211 . 1 . 1 58 58 HIS N N 15 120.70158 0.0 . 1 . . . . . 58 HIS N . 53394 1 212 . 1 . 1 59 59 SER H H 1 8.15824 0.0 . 1 . . . . . 59 SER H . 53394 1 213 . 1 . 1 59 59 SER CA C 13 58.64483 0.0 . 1 . . . . . 59 SER CA . 53394 1 214 . 1 . 1 59 59 SER CB C 13 63.70511 0.0 . 1 . . . . . 59 SER CB . 53394 1 215 . 1 . 1 59 59 SER N N 15 116.74771 0.0 . 1 . . . . . 59 SER N . 53394 1 216 . 1 . 1 60 60 PHE H H 1 8.32843 0.0 . 1 . . . . . 60 PHE H . 53394 1 217 . 1 . 1 60 60 PHE CA C 13 57.56988 0.0 . 1 . . . . . 60 PHE CA . 53394 1 218 . 1 . 1 60 60 PHE CB C 13 39.38775 0.0 . 1 . . . . . 60 PHE CB . 53394 1 219 . 1 . 1 60 60 PHE N N 15 121.75814 0.0 . 1 . . . . . 60 PHE N . 53394 1 220 . 1 . 1 61 61 ASP H H 1 8.14189 0.0 . 1 . . . . . 61 ASP H . 53394 1 221 . 1 . 1 61 61 ASP CA C 13 54.33466 0.0 . 1 . . . . . 61 ASP CA . 53394 1 222 . 1 . 1 61 61 ASP CB C 13 41.03658 0.0 . 1 . . . . . 61 ASP CB . 53394 1 223 . 1 . 1 61 61 ASP N N 15 121.47109 0.0 . 1 . . . . . 61 ASP N . 53394 1 224 . 1 . 1 62 62 ILE H H 1 8.14486 0.0 . 1 . . . . . 62 ILE H . 53394 1 225 . 1 . 1 62 62 ILE CA C 13 60.95933 0.0 . 1 . . . . . 62 ILE CA . 53394 1 226 . 1 . 1 62 62 ILE CB C 13 38.35197 0.0 . 1 . . . . . 62 ILE CB . 53394 1 227 . 1 . 1 62 62 ILE N N 15 121.58532 0.0 . 1 . . . . . 62 ILE N . 53394 1 228 . 1 . 1 63 63 LYS H H 1 8.53527 0.0 . 1 . . . . . 63 LYS H . 53394 1 229 . 1 . 1 63 63 LYS CA C 13 54.16786 0.0 . 1 . . . . . 63 LYS CA . 53394 1 230 . 1 . 1 63 63 LYS CB C 13 32.25171 0.0 . 1 . . . . . 63 LYS CB . 53394 1 231 . 1 . 1 63 63 LYS N N 15 127.86006 0.0 . 1 . . . . . 63 LYS N . 53394 1 232 . 1 . 1 64 64 PRO CA C 13 63.11294 0.0 . 1 . . . . . 64 PRO CA . 53394 1 233 . 1 . 1 64 64 PRO CB C 13 32.01146 0.0 . 1 . . . . . 64 PRO CB . 53394 1 234 . 1 . 1 65 65 PHE H H 1 8.40386 0.0 . 1 . . . . . 65 PHE H . 53394 1 235 . 1 . 1 65 65 PHE CA C 13 57.91154 0.0 . 1 . . . . . 65 PHE CA . 53394 1 236 . 1 . 1 65 65 PHE CB C 13 39.41825 0.0 . 1 . . . . . 65 PHE CB . 53394 1 237 . 1 . 1 65 65 PHE N N 15 120.74425 0.0 . 1 . . . . . 65 PHE N . 53394 1 238 . 1 . 1 66 66 THR H H 1 8.13036 0.0 . 1 . . . . . 66 THR H . 53394 1 239 . 1 . 1 66 66 THR CA C 13 61.41117 0.0 . 1 . . . . . 66 THR CA . 53394 1 240 . 1 . 1 66 66 THR CB C 13 70.0925 0.0 . 1 . . . . . 66 THR CB . 53394 1 241 . 1 . 1 66 66 THR N N 15 116.85789 0.0 . 1 . . . . . 66 THR N . 53394 1 242 . 1 . 1 67 67 THR H H 1 8.28098 0.0 . 1 . . . . . 67 THR H . 53394 1 243 . 1 . 1 67 67 THR CA C 13 61.91512 0.0 . 1 . . . . . 67 THR CA . 53394 1 244 . 1 . 1 67 67 THR CB C 13 69.87938 0.0 . 1 . . . . . 67 THR CB . 53394 1 245 . 1 . 1 67 67 THR N N 15 117.45049 0.0 . 1 . . . . . 67 THR N . 53394 1 246 . 1 . 1 68 68 VAL H H 1 8.26216 0.0 . 1 . . . . . 68 VAL H . 53394 1 247 . 1 . 1 68 68 VAL CA C 13 62.29044 0.0 . 1 . . . . . 68 VAL CA . 53394 1 248 . 1 . 1 68 68 VAL CB C 13 32.80065 0.0 . 1 . . . . . 68 VAL CB . 53394 1 249 . 1 . 1 68 68 VAL N N 15 123.01942 0.0 . 1 . . . . . 68 VAL N . 53394 1 250 . 1 . 1 69 69 ASP H H 1 8.40928 0.0 . 1 . . . . . 69 ASP H . 53394 1 251 . 1 . 1 69 69 ASP CA C 13 53.91419 0.0 . 1 . . . . . 69 ASP CA . 53394 1 252 . 1 . 1 69 69 ASP CB C 13 41.04995 0.0 . 1 . . . . . 69 ASP CB . 53394 1 253 . 1 . 1 69 69 ASP N N 15 124.21382 0.0 . 1 . . . . . 69 ASP N . 53394 1 254 . 1 . 1 70 70 PHE H H 1 8.4689 0.0 . 1 . . . . . 70 PHE H . 53394 1 255 . 1 . 1 70 70 PHE CA C 13 58.51277 0.0 . 1 . . . . . 70 PHE CA . 53394 1 256 . 1 . 1 70 70 PHE CB C 13 39.14195 0.0 . 1 . . . . . 70 PHE CB . 53394 1 257 . 1 . 1 70 70 PHE N N 15 122.8946 0.0 . 1 . . . . . 70 PHE N . 53394 1 258 . 1 . 1 71 71 SER H H 1 8.41514 0.0 . 1 . . . . . 71 SER H . 53394 1 259 . 1 . 1 71 71 SER CA C 13 59.169 0.0 . 1 . . . . . 71 SER CA . 53394 1 260 . 1 . 1 71 71 SER CB C 13 63.70998 0.0 . 1 . . . . . 71 SER CB . 53394 1 261 . 1 . 1 71 71 SER N N 15 117.2217 0.0 . 1 . . . . . 71 SER N . 53394 1 262 . 1 . 1 72 72 SER H H 1 8.2679 0.0 . 1 . . . . . 72 SER H . 53394 1 263 . 1 . 1 72 72 SER CA C 13 58.56327 0.0 . 1 . . . . . 72 SER CA . 53394 1 264 . 1 . 1 72 72 SER CB C 13 63.73483 0.0 . 1 . . . . . 72 SER CB . 53394 1 265 . 1 . 1 72 72 SER N N 15 117.77821 0.0 . 1 . . . . . 72 SER N . 53394 1 266 . 1 . 1 73 73 ILE H H 1 8.05438 0.0 . 1 . . . . . 73 ILE H . 53394 1 267 . 1 . 1 73 73 ILE CA C 13 61.33719 0.0 . 1 . . . . . 73 ILE CA . 53394 1 268 . 1 . 1 73 73 ILE CB C 13 38.71108 0.0 . 1 . . . . . 73 ILE CB . 53394 1 269 . 1 . 1 73 73 ILE N N 15 121.97733 0.0 . 1 . . . . . 73 ILE N . 53394 1 270 . 1 . 1 74 74 SER H H 1 8.43247 0.0 . 1 . . . . . 74 SER H . 53394 1 271 . 1 . 1 74 74 SER CA C 13 58.20734 0.0 . 1 . . . . . 74 SER CA . 53394 1 272 . 1 . 1 74 74 SER CB C 13 63.78936 0.0 . 1 . . . . . 74 SER CB . 53394 1 273 . 1 . 1 74 74 SER N N 15 120.02963 0.0 . 1 . . . . . 74 SER N . 53394 1 274 . 1 . 1 75 75 THR H H 1 8.28341 0.0 . 1 . . . . . 75 THR H . 53394 1 275 . 1 . 1 75 75 THR CA C 13 59.89231 0.0 . 1 . . . . . 75 THR CA . 53394 1 276 . 1 . 1 75 75 THR CB C 13 69.70344 0.0 . 1 . . . . . 75 THR CB . 53394 1 277 . 1 . 1 75 75 THR N N 15 119.19158 0.0 . 1 . . . . . 75 THR N . 53394 1 278 . 1 . 1 77 77 HIS H H 1 8.50748 0.0 . 1 . . . . . 77 HIS H . 53394 1 279 . 1 . 1 77 77 HIS CA C 13 55.78433 0.0 . 1 . . . . . 77 HIS CA . 53394 1 280 . 1 . 1 77 77 HIS CB C 13 30.33951 0.0 . 1 . . . . . 77 HIS CB . 53394 1 281 . 1 . 1 77 77 HIS N N 15 120.14395 0.0 . 1 . . . . . 77 HIS N . 53394 1 282 . 1 . 1 78 78 TYR H H 1 8.15509 0.0 . 1 . . . . . 78 TYR H . 53394 1 283 . 1 . 1 78 78 TYR CA C 13 58.74323 0.0 . 1 . . . . . 78 TYR CA . 53394 1 284 . 1 . 1 78 78 TYR CB C 13 38.94636 0.0 . 1 . . . . . 78 TYR CB . 53394 1 285 . 1 . 1 78 78 TYR N N 15 123.05795 0.0 . 1 . . . . . 78 TYR N . 53394 1 286 . 1 . 1 79 79 GLU H H 1 8.42417 0.0 . 1 . . . . . 79 GLU H . 53394 1 287 . 1 . 1 79 79 GLU CA C 13 56.09687 0.0 . 1 . . . . . 79 GLU CA . 53394 1 288 . 1 . 1 79 79 GLU CB C 13 30.62271 0.0 . 1 . . . . . 79 GLU CB . 53394 1 289 . 1 . 1 79 79 GLU N N 15 122.64408 0.0 . 1 . . . . . 79 GLU N . 53394 1 290 . 1 . 1 80 80 ASP H H 1 8.41808 0.0 . 1 . . . . . 80 ASP H . 53394 1 291 . 1 . 1 80 80 ASP CA C 13 54.33736 0.0 . 1 . . . . . 80 ASP CA . 53394 1 292 . 1 . 1 80 80 ASP CB C 13 41.09924 0.0 . 1 . . . . . 80 ASP CB . 53394 1 293 . 1 . 1 80 80 ASP N N 15 121.94085 0.0 . 1 . . . . . 80 ASP N . 53394 1 294 . 1 . 1 81 81 ILE H H 1 8.18256 0.0 . 1 . . . . . 81 ILE H . 53394 1 295 . 1 . 1 81 81 ILE CA C 13 58.75998 0.0 . 1 . . . . . 81 ILE CA . 53394 1 296 . 1 . 1 81 81 ILE CB C 13 38.67019 0.0 . 1 . . . . . 81 ILE CB . 53394 1 297 . 1 . 1 81 81 ILE N N 15 123.30475 0.0 . 1 . . . . . 81 ILE N . 53394 1 298 . 1 . 1 82 82 PRO CA C 13 63.20403 0.0 . 1 . . . . . 82 PRO CA . 53394 1 299 . 1 . 1 82 82 PRO CB C 13 32.13069 0.0 . 1 . . . . . 82 PRO CB . 53394 1 300 . 1 . 1 83 83 PHE H H 1 8.41888 0.0 . 1 . . . . . 83 PHE H . 53394 1 301 . 1 . 1 83 83 PHE CA C 13 57.98505 0.0 . 1 . . . . . 83 PHE CA . 53394 1 302 . 1 . 1 83 83 PHE CB C 13 39.53424 0.0 . 1 . . . . . 83 PHE CB . 53394 1 303 . 1 . 1 83 83 PHE N N 15 121.20825 0.0 . 1 . . . . . 83 PHE N . 53394 1 304 . 1 . 1 84 84 THR H H 1 8.11091 0.0 . 1 . . . . . 84 THR H . 53394 1 305 . 1 . 1 84 84 THR CA C 13 61.62524 0.0 . 1 . . . . . 84 THR CA . 53394 1 306 . 1 . 1 84 84 THR CB C 13 70.06139 0.0 . 1 . . . . . 84 THR CB . 53394 1 307 . 1 . 1 84 84 THR N N 15 117.79676 0.0 . 1 . . . . . 84 THR N . 53394 1 308 . 1 . 1 85 85 ARG H H 1 8.44277 0.0 . 1 . . . . . 85 ARG H . 53394 1 309 . 1 . 1 85 85 ARG CA C 13 56.07829 0.0 . 1 . . . . . 85 ARG CA . 53394 1 310 . 1 . 1 85 85 ARG CB C 13 30.96751 0.0 . 1 . . . . . 85 ARG CB . 53394 1 311 . 1 . 1 85 85 ARG N N 15 124.67885 0.0 . 1 . . . . . 85 ARG N . 53394 1 312 . 1 . 1 86 86 THR H H 1 8.40019 0.0 . 1 . . . . . 86 THR H . 53394 1 313 . 1 . 1 86 86 THR CA C 13 61.55423 0.0 . 1 . . . . . 86 THR CA . 53394 1 314 . 1 . 1 86 86 THR CB C 13 69.88321 0.0 . 1 . . . . . 86 THR CB . 53394 1 315 . 1 . 1 86 86 THR N N 15 116.77402 0.0 . 1 . . . . . 86 THR N . 53394 1 316 . 1 . 1 87 87 ASP H H 1 8.51761 0.0 . 1 . . . . . 87 ASP H . 53394 1 317 . 1 . 1 87 87 ASP CA C 13 52.69791 0.0 . 1 . . . . . 87 ASP CA . 53394 1 318 . 1 . 1 87 87 ASP CB C 13 40.55962 0.0 . 1 . . . . . 87 ASP CB . 53394 1 319 . 1 . 1 87 87 ASP N N 15 125.06738 0.0 . 1 . . . . . 87 ASP N . 53394 1 320 . 1 . 1 88 88 PRO CA C 13 63.17343 0.0 . 1 . . . . . 88 PRO CA . 53394 1 321 . 1 . 1 88 88 PRO CB C 13 32.30877 0.0 . 1 . . . . . 88 PRO CB . 53394 1 322 . 1 . 1 89 89 VAL H H 1 8.40304 0.0 . 1 . . . . . 89 VAL H . 53394 1 323 . 1 . 1 89 89 VAL CA C 13 62.66804 0.0 . 1 . . . . . 89 VAL CA . 53394 1 324 . 1 . 1 89 89 VAL CB C 13 32.49896 0.0 . 1 . . . . . 89 VAL CB . 53394 1 325 . 1 . 1 89 89 VAL N N 15 121.37136 0.0 . 1 . . . . . 89 VAL N . 53394 1 326 . 1 . 1 90 90 VAL H H 1 8.30639 0.0 . 1 . . . . . 90 VAL H . 53394 1 327 . 1 . 1 90 90 VAL CA C 13 62.24622 0.0 . 1 . . . . . 90 VAL CA . 53394 1 328 . 1 . 1 90 90 VAL N N 15 125.28482 0.0 . 1 . . . . . 90 VAL N . 53394 1 329 . 1 . 1 91 91 ALA H H 1 8.4782 0.0 . 1 . . . . . 91 ALA H . 53394 1 330 . 1 . 1 91 91 ALA CA C 13 52.57427 0.0 . 1 . . . . . 91 ALA CA . 53394 1 331 . 1 . 1 91 91 ALA CB C 13 19.2746 0.0 . 1 . . . . . 91 ALA CB . 53394 1 332 . 1 . 1 91 91 ALA N N 15 128.4368 0.0 . 1 . . . . . 91 ALA N . 53394 1 333 . 1 . 1 92 92 ASP H H 1 8.31548 0.0 . 1 . . . . . 92 ASP H . 53394 1 334 . 1 . 1 92 92 ASP CA C 13 54.03815 0.0 . 1 . . . . . 92 ASP CA . 53394 1 335 . 1 . 1 92 92 ASP CB C 13 41.15643 0.0 . 1 . . . . . 92 ASP CB . 53394 1 336 . 1 . 1 92 92 ASP N N 15 119.99481 0.0 . 1 . . . . . 92 ASP N . 53394 1 337 . 1 . 1 93 93 TYR H H 1 8.16033 0.0 . 1 . . . . . 93 TYR H . 53394 1 338 . 1 . 1 93 93 TYR CA C 13 58.41273 0.0 . 1 . . . . . 93 TYR CA . 53394 1 339 . 1 . 1 93 93 TYR CB C 13 38.44468 0.0 . 1 . . . . . 93 TYR CB . 53394 1 340 . 1 . 1 93 93 TYR N N 15 121.4116 0.0 . 1 . . . . . 93 TYR N . 53394 1 341 . 1 . 1 94 94 LYS H H 1 8.11361 0.0 . 1 . . . . . 94 LYS H . 53394 1 342 . 1 . 1 94 94 LYS CA C 13 56.36577 0.0 . 1 . . . . . 94 LYS CA . 53394 1 343 . 1 . 1 94 94 LYS CB C 13 32.72985 0.0 . 1 . . . . . 94 LYS CB . 53394 1 344 . 1 . 1 94 94 LYS N N 15 122.98567 0.0 . 1 . . . . . 94 LYS N . 53394 1 345 . 1 . 1 95 95 TYR H H 1 8.03029 0.0 . 1 . . . . . 95 TYR H . 53394 1 346 . 1 . 1 95 95 TYR CA C 13 58.25115 0.0 . 1 . . . . . 95 TYR CA . 53394 1 347 . 1 . 1 95 95 TYR CB C 13 38.72902 0.0 . 1 . . . . . 95 TYR CB . 53394 1 348 . 1 . 1 95 95 TYR N N 15 121.22922 0.0 . 1 . . . . . 95 TYR N . 53394 1 349 . 1 . 1 96 96 ASP H H 1 8.26498 0.0 . 1 . . . . . 96 ASP H . 53394 1 350 . 1 . 1 96 96 ASP CA C 13 54.25305 0.0 . 1 . . . . . 96 ASP CA . 53394 1 351 . 1 . 1 96 96 ASP CB C 13 41.14201 0.0 . 1 . . . . . 96 ASP CB . 53394 1 352 . 1 . 1 96 96 ASP N N 15 122.15465 0.0 . 1 . . . . . 96 ASP N . 53394 1 353 . 1 . 1 97 97 LEU H H 1 8.23295 0.0 . 1 . . . . . 97 LEU H . 53394 1 354 . 1 . 1 97 97 LEU CA C 13 56.17734 0.0 . 1 . . . . . 97 LEU CA . 53394 1 355 . 1 . 1 97 97 LEU CB C 13 42.04022 0.0 . 1 . . . . . 97 LEU CB . 53394 1 356 . 1 . 1 97 97 LEU N N 15 123.68259 0.0 . 1 . . . . . 97 LEU N . 53394 1 357 . 1 . 1 98 98 LYS H H 1 8.34545 0.0 . 1 . . . . . 98 LYS H . 53394 1 358 . 1 . 1 98 98 LYS CA C 13 56.99832 0.0 . 1 . . . . . 98 LYS CA . 53394 1 359 . 1 . 1 98 98 LYS CB C 13 32.10482 0.0 . 1 . . . . . 98 LYS CB . 53394 1 360 . 1 . 1 98 98 LYS N N 15 120.94805 0.0 . 1 . . . . . 98 LYS N . 53394 1 361 . 1 . 1 99 99 LEU H H 1 8.11383 0.0 . 1 . . . . . 99 LEU H . 53394 1 362 . 1 . 1 99 99 LEU CA C 13 55.76042 0.0 . 1 . . . . . 99 LEU CA . 53394 1 363 . 1 . 1 99 99 LEU CB C 13 41.93473 0.0 . 1 . . . . . 99 LEU CB . 53394 1 364 . 1 . 1 99 99 LEU N N 15 121.93396 0.0 . 1 . . . . . 99 LEU N . 53394 1 365 . 1 . 1 100 100 GLN H H 1 8.2829 0.0 . 1 . . . . . 100 GLN H . 53394 1 366 . 1 . 1 100 100 GLN CA C 13 56.50869 0.0 . 1 . . . . . 100 GLN CA . 53394 1 367 . 1 . 1 100 100 GLN CB C 13 29.06103 0.0 . 1 . . . . . 100 GLN CB . 53394 1 368 . 1 . 1 100 100 GLN N N 15 120.08479 0.0 . 1 . . . . . 100 GLN N . 53394 1 369 . 1 . 1 101 101 GLU H H 1 8.35752 0.0 . 1 . . . . . 101 GLU H . 53394 1 370 . 1 . 1 101 101 GLU CA C 13 57.1579 0.0 . 1 . . . . . 101 GLU CA . 53394 1 371 . 1 . 1 101 101 GLU CB C 13 30.22507 0.0 . 1 . . . . . 101 GLU CB . 53394 1 372 . 1 . 1 101 101 GLU N N 15 121.43052 0.0 . 1 . . . . . 101 GLU N . 53394 1 373 . 1 . 1 102 102 TYR H H 1 8.27643 0.0 . 1 . . . . . 102 TYR H . 53394 1 374 . 1 . 1 102 102 TYR CA C 13 58.60771 0.0 . 1 . . . . . 102 TYR CA . 53394 1 375 . 1 . 1 102 102 TYR CB C 13 38.56324 0.0 . 1 . . . . . 102 TYR CB . 53394 1 376 . 1 . 1 102 102 TYR N N 15 121.08161 0.0 . 1 . . . . . 102 TYR N . 53394 1 377 . 1 . 1 103 103 GLN H H 1 8.29997 0.0 . 1 . . . . . 103 GLN H . 53394 1 378 . 1 . 1 103 103 GLN CA C 13 55.95211 0.0 . 1 . . . . . 103 GLN CA . 53394 1 379 . 1 . 1 103 103 GLN CB C 13 29.43039 0.0 . 1 . . . . . 103 GLN CB . 53394 1 380 . 1 . 1 103 103 GLN N N 15 121.686 0.0 . 1 . . . . . 103 GLN N . 53394 1 381 . 1 . 1 104 104 SER H H 1 8.31247 0.0 . 1 . . . . . 104 SER H . 53394 1 382 . 1 . 1 104 104 SER CA C 13 58.71265 0.0 . 1 . . . . . 104 SER CA . 53394 1 383 . 1 . 1 104 104 SER CB C 13 63.68996 0.0 . 1 . . . . . 104 SER CB . 53394 1 384 . 1 . 1 104 104 SER N N 15 116.76901 0.0 . 1 . . . . . 104 SER N . 53394 1 385 . 1 . 1 105 105 ALA H H 1 8.30282 0.0 . 1 . . . . . 105 ALA H . 53394 1 386 . 1 . 1 105 105 ALA CA C 13 52.59153 0.0 . 1 . . . . . 105 ALA CA . 53394 1 387 . 1 . 1 105 105 ALA CB C 13 19.24163 0.0 . 1 . . . . . 105 ALA CB . 53394 1 388 . 1 . 1 105 105 ALA N N 15 125.99938 0.0 . 1 . . . . . 105 ALA N . 53394 1 389 . 1 . 1 106 106 ILE H H 1 8.09443 0.0 . 1 . . . . . 106 ILE H . 53394 1 390 . 1 . 1 106 106 ILE CA C 13 61.12196 0.0 . 1 . . . . . 106 ILE CA . 53394 1 391 . 1 . 1 106 106 ILE CB C 13 38.48012 0.0 . 1 . . . . . 106 ILE CB . 53394 1 392 . 1 . 1 106 106 ILE N N 15 120.28066 0.0 . 1 . . . . . 106 ILE N . 53394 1 393 . 1 . 1 107 107 LYS H H 1 8.47 0.0 . 1 . . . . . 107 LYS H . 53394 1 394 . 1 . 1 107 107 LYS CA C 13 56.07352 0.0 . 1 . . . . . 107 LYS CA . 53394 1 395 . 1 . 1 107 107 LYS CB C 13 33.07656 0.0 . 1 . . . . . 107 LYS CB . 53394 1 396 . 1 . 1 107 107 LYS N N 15 127.06389 0.0 . 1 . . . . . 107 LYS N . 53394 1 397 . 1 . 1 108 108 VAL H H 1 8.40369 0.0 . 1 . . . . . 108 VAL H . 53394 1 398 . 1 . 1 108 108 VAL CA C 13 61.97974 0.0 . 1 . . . . . 108 VAL CA . 53394 1 399 . 1 . 1 108 108 VAL N N 15 123.85018 0.0 . 1 . . . . . 108 VAL N . 53394 1 400 . 1 . 1 109 109 GLU H H 1 8.6783 0.0 . 1 . . . . . 109 GLU H . 53394 1 401 . 1 . 1 109 109 GLU CA C 13 54.11328 0.0 . 1 . . . . . 109 GLU CA . 53394 1 402 . 1 . 1 109 109 GLU CB C 13 29.65132 0.0 . 1 . . . . . 109 GLU CB . 53394 1 403 . 1 . 1 109 109 GLU N N 15 127.59528 0.0 . 1 . . . . . 109 GLU N . 53394 1 404 . 1 . 1 110 110 PRO CA C 13 62.91891 0.0 . 1 . . . . . 110 PRO CA . 53394 1 405 . 1 . 1 111 111 ALA H H 1 8.56685 0.0 . 1 . . . . . 111 ALA H . 53394 1 406 . 1 . 1 111 111 ALA CA C 13 52.33687 0.0 . 1 . . . . . 111 ALA CA . 53394 1 407 . 1 . 1 111 111 ALA CB C 13 19.2303 0.0 . 1 . . . . . 111 ALA CB . 53394 1 408 . 1 . 1 111 111 ALA N N 15 124.77565 0.0 . 1 . . . . . 111 ALA N . 53394 1 409 . 1 . 1 112 112 SER H H 1 8.43556 0.0 . 1 . . . . . 112 SER H . 53394 1 410 . 1 . 1 112 112 SER CA C 13 56.51164 0.0 . 1 . . . . . 112 SER CA . 53394 1 411 . 1 . 1 112 112 SER CB C 13 63.08123 0.0 . 1 . . . . . 112 SER CB . 53394 1 412 . 1 . 1 112 112 SER N N 15 117.12956 0.0 . 1 . . . . . 112 SER N . 53394 1 413 . 1 . 1 114 114 PRO CA C 13 63.03675 0.0 . 1 . . . . . 114 PRO CA . 53394 1 414 . 1 . 1 115 115 TYR H H 1 8.21136 0.0 . 1 . . . . . 115 TYR H . 53394 1 415 . 1 . 1 115 115 TYR CA C 13 57.92579 0.0 . 1 . . . . . 115 TYR CA . 53394 1 416 . 1 . 1 115 115 TYR CB C 13 38.79959 0.0 . 1 . . . . . 115 TYR CB . 53394 1 417 . 1 . 1 115 115 TYR N N 15 120.31651 0.0 . 1 . . . . . 115 TYR N . 53394 1 418 . 1 . 1 116 116 TYR H H 1 8.05231 0.0 . 1 . . . . . 116 TYR H . 53394 1 419 . 1 . 1 116 116 TYR CA C 13 57.63952 0.0 . 1 . . . . . 116 TYR CA . 53394 1 420 . 1 . 1 116 116 TYR CB C 13 39.18956 0.0 . 1 . . . . . 116 TYR CB . 53394 1 421 . 1 . 1 116 116 TYR N N 15 123.40989 0.0 . 1 . . . . . 116 TYR N . 53394 1 422 . 1 . 1 117 117 SER H H 1 8.10678 0.0 . 1 . . . . . 117 SER H . 53394 1 423 . 1 . 1 117 117 SER CA C 13 57.76489 0.0 . 1 . . . . . 117 SER CA . 53394 1 424 . 1 . 1 117 117 SER CB C 13 64.06404 0.0 . 1 . . . . . 117 SER CB . 53394 1 425 . 1 . 1 117 117 SER N N 15 118.43981 0.0 . 1 . . . . . 117 SER N . 53394 1 426 . 1 . 1 118 118 GLU H H 1 8.58209 0.0 . 1 . . . . . 118 GLU H . 53394 1 427 . 1 . 1 118 118 GLU CA C 13 56.94809 0.0 . 1 . . . . . 118 GLU CA . 53394 1 428 . 1 . 1 118 118 GLU CB C 13 30.05655 0.0 . 1 . . . . . 118 GLU CB . 53394 1 429 . 1 . 1 118 118 GLU N N 15 123.73275 0.0 . 1 . . . . . 118 GLU N . 53394 1 430 . 1 . 1 119 119 LYS H H 1 8.40363 0.0 . 1 . . . . . 119 LYS H . 53394 1 431 . 1 . 1 119 119 LYS N N 15 121.87843 0.0 . 1 . . . . . 119 LYS N . 53394 1 432 . 1 . 1 120 120 THR H H 1 8.14069 0.0 . 1 . . . . . 120 THR H . 53394 1 433 . 1 . 1 120 120 THR CA C 13 62.32424 0.0 . 1 . . . . . 120 THR CA . 53394 1 434 . 1 . 1 120 120 THR CB C 13 69.6642 0.0 . 1 . . . . . 120 THR CB . 53394 1 435 . 1 . 1 120 120 THR N N 15 115.40414 0.0 . 1 . . . . . 120 THR N . 53394 1 436 . 1 . 1 121 121 GLN H H 1 8.45475 0.0 . 1 . . . . . 121 GLN H . 53394 1 437 . 1 . 1 121 121 GLN CA C 13 55.78473 0.0 . 1 . . . . . 121 GLN CA . 53394 1 438 . 1 . 1 121 121 GLN CB C 13 29.22254 0.0 . 1 . . . . . 121 GLN CB . 53394 1 439 . 1 . 1 121 121 GLN N N 15 122.95787 0.0 . 1 . . . . . 121 GLN N . 53394 1 440 . 1 . 1 122 122 LEU H H 1 8.25859 0.0 . 1 . . . . . 122 LEU H . 53394 1 441 . 1 . 1 122 122 LEU CA C 13 55.18023 0.0 . 1 . . . . . 122 LEU CA . 53394 1 442 . 1 . 1 122 122 LEU CB C 13 42.42506 0.0 . 1 . . . . . 122 LEU CB . 53394 1 443 . 1 . 1 122 122 LEU N N 15 123.16421 0.0 . 1 . . . . . 122 LEU N . 53394 1 444 . 1 . 1 123 123 TYR H H 1 8.25032 0.0 . 1 . . . . . 123 TYR H . 53394 1 445 . 1 . 1 123 123 TYR CA C 13 57.6664 0.0 . 1 . . . . . 123 TYR CA . 53394 1 446 . 1 . 1 123 123 TYR CB C 13 38.80364 0.0 . 1 . . . . . 123 TYR CB . 53394 1 447 . 1 . 1 123 123 TYR N N 15 120.52739 0.0 . 1 . . . . . 123 TYR N . 53394 1 448 . 1 . 1 124 124 ASN H H 1 8.33395 0.0 . 1 . . . . . 124 ASN H . 53394 1 449 . 1 . 1 124 124 ASN CA C 13 52.82538 0.0 . 1 . . . . . 124 ASN CA . 53394 1 450 . 1 . 1 124 124 ASN CB C 13 39.26237 0.0 . 1 . . . . . 124 ASN CB . 53394 1 451 . 1 . 1 124 124 ASN N N 15 121.16808 0.0 . 1 . . . . . 124 ASN N . 53394 1 452 . 1 . 1 125 125 LYS H H 1 8.28284 0.0 . 1 . . . . . 125 LYS H . 53394 1 453 . 1 . 1 125 125 LYS CA C 13 54.38536 0.0 . 1 . . . . . 125 LYS CA . 53394 1 454 . 1 . 1 125 125 LYS CB C 13 32.54997 0.0 . 1 . . . . . 125 LYS CB . 53394 1 455 . 1 . 1 125 125 LYS N N 15 123.36609 0.0 . 1 . . . . . 125 LYS N . 53394 1 456 . 1 . 1 126 126 PRO CA C 13 63.18298 0.0 . 1 . . . . . 126 PRO CA . 53394 1 457 . 1 . 1 127 127 HIS H H 1 8.52328 0.0 . 1 . . . . . 127 HIS H . 53394 1 458 . 1 . 1 127 127 HIS CA C 13 56.50433 0.0 . 1 . . . . . 127 HIS CA . 53394 1 459 . 1 . 1 127 127 HIS CB C 13 30.44363 0.0 . 1 . . . . . 127 HIS CB . 53394 1 460 . 1 . 1 127 127 HIS N N 15 120.22508 0.0 . 1 . . . . . 127 HIS N . 53394 1 461 . 1 . 1 128 128 GLU H H 1 8.27426 0.0 . 1 . . . . . 128 GLU H . 53394 1 462 . 1 . 1 128 128 GLU CA C 13 55.71985 0.0 . 1 . . . . . 128 GLU CA . 53394 1 463 . 1 . 1 128 128 GLU CB C 13 30.839 0.0 . 1 . . . . . 128 GLU CB . 53394 1 464 . 1 . 1 128 128 GLU N N 15 123.07081 0.0 . 1 . . . . . 128 GLU N . 53394 1 465 . 1 . 1 129 129 GLU H H 1 8.62615 0.0 . 1 . . . . . 129 GLU H . 53394 1 466 . 1 . 1 129 129 GLU CA C 13 54.22577 0.0 . 1 . . . . . 129 GLU CA . 53394 1 467 . 1 . 1 129 129 GLU CB C 13 29.60227 0.0 . 1 . . . . . 129 GLU CB . 53394 1 468 . 1 . 1 129 129 GLU N N 15 124.31719 0.0 . 1 . . . . . 129 GLU N . 53394 1 469 . 1 . 1 131 131 SER H H 1 8.63132 0.0 . 1 . . . . . 131 SER H . 53394 1 470 . 1 . 1 131 131 SER CA C 13 58.52141 0.0 . 1 . . . . . 131 SER CA . 53394 1 471 . 1 . 1 131 131 SER CB C 13 63.73949 0.0 . 1 . . . . . 131 SER CB . 53394 1 472 . 1 . 1 131 131 SER N N 15 116.46886 0.0 . 1 . . . . . 131 SER N . 53394 1 473 . 1 . 1 132 132 ASN H H 1 8.5777 0.0 . 1 . . . . . 132 ASN H . 53394 1 474 . 1 . 1 132 132 ASN CA C 13 53.26934 0.0 . 1 . . . . . 132 ASN CA . 53394 1 475 . 1 . 1 132 132 ASN CB C 13 38.83368 0.0 . 1 . . . . . 132 ASN CB . 53394 1 476 . 1 . 1 132 132 ASN N N 15 121.17351 0.0 . 1 . . . . . 132 ASN N . 53394 1 477 . 1 . 1 133 133 SER H H 1 8.40119 0.0 . 1 . . . . . 133 SER H . 53394 1 478 . 1 . 1 133 133 SER CA C 13 58.79955 0.0 . 1 . . . . . 133 SER CA . 53394 1 479 . 1 . 1 133 133 SER CB C 13 63.64053 0.0 . 1 . . . . . 133 SER CB . 53394 1 480 . 1 . 1 133 133 SER N N 15 116.53456 0.0 . 1 . . . . . 133 SER N . 53394 1 481 . 1 . 1 134 134 LEU H H 1 8.34411 0.0 . 1 . . . . . 134 LEU H . 53394 1 482 . 1 . 1 134 134 LEU CA C 13 55.40546 0.0 . 1 . . . . . 134 LEU CA . 53394 1 483 . 1 . 1 134 134 LEU CB C 13 41.96759 0.0 . 1 . . . . . 134 LEU CB . 53394 1 484 . 1 . 1 134 134 LEU N N 15 123.93239 0.0 . 1 . . . . . 134 LEU N . 53394 1 485 . 1 . 1 135 135 MET H H 1 8.26841 0.0 . 1 . . . . . 135 MET H . 53394 1 486 . 1 . 1 135 135 MET CB C 13 32.82858 0.0 . 1 . . . . . 135 MET CB . 53394 1 487 . 1 . 1 135 135 MET N N 15 120.97383 0.0 . 1 . . . . . 135 MET N . 53394 1 488 . 1 . 1 136 136 ALA H H 1 8.32854 0.0 . 1 . . . . . 136 ALA H . 53394 1 489 . 1 . 1 136 136 ALA CA C 13 52.41767 0.0 . 1 . . . . . 136 ALA CA . 53394 1 490 . 1 . 1 136 136 ALA CB C 13 19.09673 0.0 . 1 . . . . . 136 ALA CB . 53394 1 491 . 1 . 1 136 136 ALA N N 15 126.58807 0.0 . 1 . . . . . 136 ALA N . 53394 1 492 . 1 . 1 137 137 ILE H H 1 7.81168 0.0 . 1 . . . . . 137 ILE H . 53394 1 493 . 1 . 1 137 137 ILE CA C 13 62.90452 0.0 . 1 . . . . . 137 ILE CA . 53394 1 494 . 1 . 1 137 137 ILE CB C 13 39.61591 0.0 . 1 . . . . . 137 ILE CB . 53394 1 495 . 1 . 1 137 137 ILE N N 15 124.95578 0.0 . 1 . . . . . 137 ILE N . 53394 1 stop_ save_