################################### # 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 52286 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'Ydj1 1-109 WT Backbone Assignments' _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 '3D HNCACB' . . . 52286 1 2 '3D CBCA(CO)NH' . . . 52286 1 4 '3D HNCA' . . . 52286 1 5 '3D HN(CO)CA' . . . 52286 1 6 '2D 1H-15N HSQC' . . . 52286 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 . . 52286 1 2 $software_2 . . 52286 1 3 $software_3 . . 52286 1 4 $software_4 . . 52286 1 5 $software_5 . . 52286 1 6 $software_6 . . 52286 1 7 $software_7 . . 52286 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 2 2 GLU CA C 13 56.689 0.00 . . . . . . . 2 GLU CA . 52286 1 2 . 1 . 1 2 2 GLU CB C 13 30.385 0.00 . . . . . . . 2 GLU CB . 52286 1 3 . 1 . 1 3 3 PHE H H 1 8.471 0.00 . . . . . . . 3 PHE H . 52286 1 4 . 1 . 1 3 3 PHE CA C 13 57.965 0.03 . . . . . . . 3 PHE CA . 52286 1 5 . 1 . 1 3 3 PHE CB C 13 39.245 0.01 . . . . . . . 3 PHE CB . 52286 1 6 . 1 . 1 3 3 PHE N N 15 120.617 0.00 . . . . . . . 3 PHE N . 52286 1 7 . 1 . 1 4 4 GLY H H 1 8.282 0.00 . . . . . . . 4 GLY H . 52286 1 8 . 1 . 1 4 4 GLY CA C 13 45.458 0.01 . . . . . . . 4 GLY CA . 52286 1 9 . 1 . 1 4 4 GLY N N 15 110.780 0.00 . . . . . . . 4 GLY N . 52286 1 10 . 1 . 1 5 5 SER H H 1 8.072 0.00 . . . . . . . 5 SER H . 52286 1 11 . 1 . 1 5 5 SER CA C 13 58.292 0.03 . . . . . . . 5 SER CA . 52286 1 12 . 1 . 1 5 5 SER CB C 13 63.768 0.00 . . . . . . . 5 SER CB . 52286 1 13 . 1 . 1 5 5 SER N N 15 115.473 0.01 . . . . . . . 5 SER N . 52286 1 14 . 1 . 1 6 6 MET H H 1 8.328 0.00 . . . . . . . 6 MET H . 52286 1 15 . 1 . 1 6 6 MET CA C 13 55.696 0.01 . . . . . . . 6 MET CA . 52286 1 16 . 1 . 1 6 6 MET CB C 13 32.980 0.06 . . . . . . . 6 MET CB . 52286 1 17 . 1 . 1 6 6 MET N N 15 122.192 0.00 . . . . . . . 6 MET N . 52286 1 18 . 1 . 1 7 7 VAL H H 1 7.683 0.00 . . . . . . . 7 VAL H . 52286 1 19 . 1 . 1 7 7 VAL CA C 13 60.725 0.04 . . . . . . . 7 VAL CA . 52286 1 20 . 1 . 1 7 7 VAL CB C 13 32.994 0.02 . . . . . . . 7 VAL CB . 52286 1 21 . 1 . 1 7 7 VAL N N 15 117.357 0.00 . . . . . . . 7 VAL N . 52286 1 22 . 1 . 1 8 8 LYS H H 1 8.331 0.00 . . . . . . . 8 LYS H . 52286 1 23 . 1 . 1 8 8 LYS CA C 13 58.917 0.03 . . . . . . . 8 LYS CA . 52286 1 24 . 1 . 1 8 8 LYS CB C 13 33.359 0.01 . . . . . . . 8 LYS CB . 52286 1 25 . 1 . 1 8 8 LYS N N 15 126.405 0.00 . . . . . . . 8 LYS N . 52286 1 26 . 1 . 1 9 9 GLU H H 1 9.468 0.00 . . . . . . . 9 GLU H . 52286 1 27 . 1 . 1 9 9 GLU CA C 13 54.684 0.00 . . . . . . . 9 GLU CA . 52286 1 28 . 1 . 1 9 9 GLU CB C 13 32.477 0.02 . . . . . . . 9 GLU CB . 52286 1 29 . 1 . 1 9 9 GLU N N 15 119.192 0.00 . . . . . . . 9 GLU N . 52286 1 30 . 1 . 1 10 10 THR H H 1 8.147 0.00 . . . . . . . 10 THR H . 52286 1 31 . 1 . 1 10 10 THR CA C 13 62.397 0.06 . . . . . . . 10 THR CA . 52286 1 32 . 1 . 1 10 10 THR CB C 13 69.014 0.02 . . . . . . . 10 THR CB . 52286 1 33 . 1 . 1 10 10 THR N N 15 107.453 0.00 . . . . . . . 10 THR N . 52286 1 34 . 1 . 1 11 11 LYS H H 1 7.600 0.00 . . . . . . . 11 LYS H . 52286 1 35 . 1 . 1 11 11 LYS CA C 13 61.031 0.02 . . . . . . . 11 LYS CA . 52286 1 36 . 1 . 1 11 11 LYS CB C 13 33.034 0.01 . . . . . . . 11 LYS CB . 52286 1 37 . 1 . 1 11 11 LYS N N 15 123.848 0.01 . . . . . . . 11 LYS N . 52286 1 38 . 1 . 1 12 12 PHE H H 1 8.203 0.00 . . . . . . . 12 PHE H . 52286 1 39 . 1 . 1 12 12 PHE CA C 13 58.601 0.04 . . . . . . . 12 PHE CA . 52286 1 40 . 1 . 1 12 12 PHE CB C 13 36.916 0.03 . . . . . . . 12 PHE CB . 52286 1 41 . 1 . 1 12 12 PHE N N 15 114.194 0.01 . . . . . . . 12 PHE N . 52286 1 42 . 1 . 1 13 13 TYR H H 1 7.171 0.00 . . . . . . . 13 TYR H . 52286 1 43 . 1 . 1 13 13 TYR CA C 13 61.818 0.03 . . . . . . . 13 TYR CA . 52286 1 44 . 1 . 1 13 13 TYR CB C 13 36.660 0.03 . . . . . . . 13 TYR CB . 52286 1 45 . 1 . 1 13 13 TYR N N 15 116.530 0.01 . . . . . . . 13 TYR N . 52286 1 46 . 1 . 1 14 14 ASP H H 1 8.670 0.00 . . . . . . . 14 ASP H . 52286 1 47 . 1 . 1 14 14 ASP CA C 13 57.223 0.02 . . . . . . . 14 ASP CA . 52286 1 48 . 1 . 1 14 14 ASP CB C 13 39.923 0.01 . . . . . . . 14 ASP CB . 52286 1 49 . 1 . 1 14 14 ASP N N 15 120.765 0.01 . . . . . . . 14 ASP N . 52286 1 50 . 1 . 1 15 15 ILE H H 1 8.551 0.00 . . . . . . . 15 ILE H . 52286 1 51 . 1 . 1 15 15 ILE CA C 13 64.784 0.02 . . . . . . . 15 ILE CA . 52286 1 52 . 1 . 1 15 15 ILE CB C 13 38.192 0.00 . . . . . . . 15 ILE CB . 52286 1 53 . 1 . 1 15 15 ILE N N 15 121.134 0.01 . . . . . . . 15 ILE N . 52286 1 54 . 1 . 1 16 16 LEU H H 1 6.892 0.00 . . . . . . . 16 LEU H . 52286 1 55 . 1 . 1 16 16 LEU CA C 13 55.292 0.02 . . . . . . . 16 LEU CA . 52286 1 56 . 1 . 1 16 16 LEU CB C 13 42.746 0.02 . . . . . . . 16 LEU CB . 52286 1 57 . 1 . 1 16 16 LEU N N 15 116.334 0.01 . . . . . . . 16 LEU N . 52286 1 58 . 1 . 1 17 17 GLY H H 1 8.159 0.00 . . . . . . . 17 GLY H . 52286 1 59 . 1 . 1 17 17 GLY CA C 13 46.503 0.02 . . . . . . . 17 GLY CA . 52286 1 60 . 1 . 1 17 17 GLY N N 15 109.019 0.01 . . . . . . . 17 GLY N . 52286 1 61 . 1 . 1 18 18 VAL H H 1 7.847 0.00 . . . . . . . 18 VAL H . 52286 1 62 . 1 . 1 18 18 VAL CA C 13 56.896 0.00 . . . . . . . 18 VAL CA . 52286 1 63 . 1 . 1 18 18 VAL CB C 13 33.071 0.00 . . . . . . . 18 VAL CB . 52286 1 64 . 1 . 1 18 18 VAL N N 15 111.896 0.02 . . . . . . . 18 VAL N . 52286 1 65 . 1 . 1 19 19 PRO CA C 13 61.614 0.03 . . . . . . . 19 PRO CA . 52286 1 66 . 1 . 1 19 19 PRO CB C 13 32.924 0.01 . . . . . . . 19 PRO CB . 52286 1 67 . 1 . 1 20 20 VAL H H 1 8.121 0.00 . . . . . . . 20 VAL H . 52286 1 68 . 1 . 1 20 20 VAL CA C 13 62.892 0.04 . . . . . . . 20 VAL CA . 52286 1 69 . 1 . 1 20 20 VAL CB C 13 30.348 0.01 . . . . . . . 20 VAL CB . 52286 1 70 . 1 . 1 20 20 VAL N N 15 112.175 0.00 . . . . . . . 20 VAL N . 52286 1 71 . 1 . 1 21 21 THR H H 1 6.683 0.00 . . . . . . . 21 THR H . 52286 1 72 . 1 . 1 21 21 THR CA C 13 59.853 0.04 . . . . . . . 21 THR CA . 52286 1 73 . 1 . 1 21 21 THR CB C 13 68.242 0.01 . . . . . . . 21 THR CB . 52286 1 74 . 1 . 1 21 21 THR N N 15 104.254 0.01 . . . . . . . 21 THR N . 52286 1 75 . 1 . 1 22 22 ALA H H 1 7.497 0.00 . . . . . . . 22 ALA H . 52286 1 76 . 1 . 1 22 22 ALA CA C 13 52.679 0.02 . . . . . . . 22 ALA CA . 52286 1 77 . 1 . 1 22 22 ALA CB C 13 19.916 0.02 . . . . . . . 22 ALA CB . 52286 1 78 . 1 . 1 22 22 ALA N N 15 124.109 0.01 . . . . . . . 22 ALA N . 52286 1 79 . 1 . 1 23 23 THR H H 1 8.850 0.00 . . . . . . . 23 THR H . 52286 1 80 . 1 . 1 23 23 THR CA C 13 60.555 0.05 . . . . . . . 23 THR CA . 52286 1 81 . 1 . 1 23 23 THR CB C 13 71.595 0.02 . . . . . . . 23 THR CB . 52286 1 82 . 1 . 1 23 23 THR N N 15 112.401 0.01 . . . . . . . 23 THR N . 52286 1 83 . 1 . 1 24 24 ASP H H 1 8.942 0.00 . . . . . . . 24 ASP H . 52286 1 84 . 1 . 1 24 24 ASP CA C 13 57.945 0.02 . . . . . . . 24 ASP CA . 52286 1 85 . 1 . 1 24 24 ASP CB C 13 40.225 0.01 . . . . . . . 24 ASP CB . 52286 1 86 . 1 . 1 24 24 ASP N N 15 120.407 0.00 . . . . . . . 24 ASP N . 52286 1 87 . 1 . 1 25 25 VAL H H 1 8.183 0.00 . . . . . . . 25 VAL H . 52286 1 88 . 1 . 1 25 25 VAL CA C 13 66.151 0.02 . . . . . . . 25 VAL CA . 52286 1 89 . 1 . 1 25 25 VAL CB C 13 32.276 0.01 . . . . . . . 25 VAL CB . 52286 1 90 . 1 . 1 25 25 VAL N N 15 119.893 0.01 . . . . . . . 25 VAL N . 52286 1 91 . 1 . 1 26 26 GLU H H 1 7.649 0.00 . . . . . . . 26 GLU H . 52286 1 92 . 1 . 1 26 26 GLU CA C 13 59.584 0.03 . . . . . . . 26 GLU CA . 52286 1 93 . 1 . 1 26 26 GLU CB C 13 30.096 0.02 . . . . . . . 26 GLU CB . 52286 1 94 . 1 . 1 26 26 GLU N N 15 121.472 0.01 . . . . . . . 26 GLU N . 52286 1 95 . 1 . 1 27 27 ILE H H 1 8.463 0.00 . . . . . . . 27 ILE H . 52286 1 96 . 1 . 1 27 27 ILE CA C 13 66.331 0.03 . . . . . . . 27 ILE CA . 52286 1 97 . 1 . 1 27 27 ILE CB C 13 38.202 0.01 . . . . . . . 27 ILE CB . 52286 1 98 . 1 . 1 27 27 ILE N N 15 122.495 0.01 . . . . . . . 27 ILE N . 52286 1 99 . 1 . 1 28 28 LYS H H 1 8.163 0.00 . . . . . . . 28 LYS H . 52286 1 100 . 1 . 1 28 28 LYS CA C 13 61.034 0.02 . . . . . . . 28 LYS CA . 52286 1 101 . 1 . 1 28 28 LYS CB C 13 32.598 0.02 . . . . . . . 28 LYS CB . 52286 1 102 . 1 . 1 28 28 LYS N N 15 120.360 0.01 . . . . . . . 28 LYS N . 52286 1 103 . 1 . 1 29 29 LYS H H 1 8.315 0.00 . . . . . . . 29 LYS H . 52286 1 104 . 1 . 1 29 29 LYS CA C 13 60.041 0.03 . . . . . . . 29 LYS CA . 52286 1 105 . 1 . 1 29 29 LYS CB C 13 32.734 0.04 . . . . . . . 29 LYS CB . 52286 1 106 . 1 . 1 29 29 LYS N N 15 119.143 0.03 . . . . . . . 29 LYS N . 52286 1 107 . 1 . 1 30 30 ALA H H 1 8.161 0.00 . . . . . . . 30 ALA H . 52286 1 108 . 1 . 1 30 30 ALA CA C 13 55.090 0.02 . . . . . . . 30 ALA CA . 52286 1 109 . 1 . 1 30 30 ALA CB C 13 19.409 0.01 . . . . . . . 30 ALA CB . 52286 1 110 . 1 . 1 30 30 ALA N N 15 122.562 0.00 . . . . . . . 30 ALA N . 52286 1 111 . 1 . 1 31 31 TYR H H 1 8.622 0.00 . . . . . . . 31 TYR H . 52286 1 112 . 1 . 1 31 31 TYR CA C 13 61.355 0.03 . . . . . . . 31 TYR CA . 52286 1 113 . 1 . 1 31 31 TYR CB C 13 38.710 0.02 . . . . . . . 31 TYR CB . 52286 1 114 . 1 . 1 31 31 TYR N N 15 119.693 0.00 . . . . . . . 31 TYR N . 52286 1 115 . 1 . 1 32 32 ARG H H 1 8.117 0.00 . . . . . . . 32 ARG H . 52286 1 116 . 1 . 1 32 32 ARG CA C 13 59.595 0.03 . . . . . . . 32 ARG CA . 52286 1 117 . 1 . 1 32 32 ARG CB C 13 29.177 0.01 . . . . . . . 32 ARG CB . 52286 1 118 . 1 . 1 32 32 ARG N N 15 119.022 0.02 . . . . . . . 32 ARG N . 52286 1 119 . 1 . 1 33 33 LYS H H 1 7.601 0.00 . . . . . . . 33 LYS H . 52286 1 120 . 1 . 1 33 33 LYS CA C 13 59.902 0.04 . . . . . . . 33 LYS CA . 52286 1 121 . 1 . 1 33 33 LYS CB C 13 32.225 0.02 . . . . . . . 33 LYS CB . 52286 1 122 . 1 . 1 33 33 LYS N N 15 117.550 0.00 . . . . . . . 33 LYS N . 52286 1 123 . 1 . 1 34 34 CYS H H 1 7.821 0.00 . . . . . . . 34 CYS H . 52286 1 124 . 1 . 1 34 34 CYS CA C 13 63.424 0.02 . . . . . . . 34 CYS CA . 52286 1 125 . 1 . 1 34 34 CYS CB C 13 26.730 0.01 . . . . . . . 34 CYS CB . 52286 1 126 . 1 . 1 34 34 CYS N N 15 118.717 0.01 . . . . . . . 34 CYS N . 52286 1 127 . 1 . 1 35 35 ALA H H 1 8.576 0.00 . . . . . . . 35 ALA H . 52286 1 128 . 1 . 1 35 35 ALA CA C 13 54.966 0.01 . . . . . . . 35 ALA CA . 52286 1 129 . 1 . 1 35 35 ALA CB C 13 17.623 0.02 . . . . . . . 35 ALA CB . 52286 1 130 . 1 . 1 35 35 ALA N N 15 122.167 0.00 . . . . . . . 35 ALA N . 52286 1 131 . 1 . 1 36 36 LEU H H 1 7.645 0.00 . . . . . . . 36 LEU H . 52286 1 132 . 1 . 1 36 36 LEU CA C 13 57.331 0.02 . . . . . . . 36 LEU CA . 52286 1 133 . 1 . 1 36 36 LEU CB C 13 42.053 0.02 . . . . . . . 36 LEU CB . 52286 1 134 . 1 . 1 36 36 LEU N N 15 115.856 0.01 . . . . . . . 36 LEU N . 52286 1 135 . 1 . 1 37 37 LYS H H 1 7.262 0.00 . . . . . . . 37 LYS H . 52286 1 136 . 1 . 1 37 37 LYS CA C 13 58.248 0.03 . . . . . . . 37 LYS CA . 52286 1 137 . 1 . 1 37 37 LYS CB C 13 33.109 0.01 . . . . . . . 37 LYS CB . 52286 1 138 . 1 . 1 37 37 LYS N N 15 116.774 0.00 . . . . . . . 37 LYS N . 52286 1 139 . 1 . 1 38 38 TYR H H 1 7.724 0.00 . . . . . . . 38 TYR H . 52286 1 140 . 1 . 1 38 38 TYR CA C 13 56.374 0.01 . . . . . . . 38 TYR CA . 52286 1 141 . 1 . 1 38 38 TYR CB C 13 39.562 0.01 . . . . . . . 38 TYR CB . 52286 1 142 . 1 . 1 38 38 TYR N N 15 114.612 0.01 . . . . . . . 38 TYR N . 52286 1 143 . 1 . 1 39 39 HIS H H 1 7.469 0.00 . . . . . . . 39 HIS H . 52286 1 144 . 1 . 1 39 39 HIS CA C 13 56.435 0.00 . . . . . . . 39 HIS CA . 52286 1 145 . 1 . 1 39 39 HIS CB C 13 31.407 0.00 . . . . . . . 39 HIS CB . 52286 1 146 . 1 . 1 39 39 HIS N N 15 121.065 0.00 . . . . . . . 39 HIS N . 52286 1 147 . 1 . 1 41 41 ASP CA C 13 56.088 0.00 . . . . . . . 41 ASP CA . 52286 1 148 . 1 . 1 41 41 ASP CB C 13 40.408 0.00 . . . . . . . 41 ASP CB . 52286 1 149 . 1 . 1 42 42 LYS H H 1 7.978 0.00 . . . . . . . 42 LYS H . 52286 1 150 . 1 . 1 42 42 LYS CA C 13 55.402 0.03 . . . . . . . 42 LYS CA . 52286 1 151 . 1 . 1 42 42 LYS CB C 13 33.493 0.02 . . . . . . . 42 LYS CB . 52286 1 152 . 1 . 1 42 42 LYS N N 15 117.664 0.00 . . . . . . . 42 LYS N . 52286 1 153 . 1 . 1 43 43 ASN H H 1 8.093 0.00 . . . . . . . 43 ASN H . 52286 1 154 . 1 . 1 43 43 ASN CA C 13 50.414 0.00 . . . . . . . 43 ASN CA . 52286 1 155 . 1 . 1 43 43 ASN CB C 13 39.688 0.00 . . . . . . . 43 ASN CB . 52286 1 156 . 1 . 1 43 43 ASN N N 15 117.247 0.01 . . . . . . . 43 ASN N . 52286 1 157 . 1 . 1 44 44 PRO CA C 13 63.422 0.01 . . . . . . . 44 PRO CA . 52286 1 158 . 1 . 1 44 44 PRO CB C 13 32.071 0.02 . . . . . . . 44 PRO CB . 52286 1 159 . 1 . 1 45 45 SER H H 1 8.050 0.00 . . . . . . . 45 SER H . 52286 1 160 . 1 . 1 45 45 SER CA C 13 58.593 0.05 . . . . . . . 45 SER CA . 52286 1 161 . 1 . 1 45 45 SER CB C 13 65.149 0.02 . . . . . . . 45 SER CB . 52286 1 162 . 1 . 1 45 45 SER N N 15 116.982 0.01 . . . . . . . 45 SER N . 52286 1 163 . 1 . 1 46 46 GLU H H 1 9.226 0.00 . . . . . . . 46 GLU H . 52286 1 164 . 1 . 1 46 46 GLU CA C 13 59.681 0.02 . . . . . . . 46 GLU CA . 52286 1 165 . 1 . 1 46 46 GLU CB C 13 29.398 0.03 . . . . . . . 46 GLU CB . 52286 1 166 . 1 . 1 46 46 GLU N N 15 124.854 0.01 . . . . . . . 46 GLU N . 52286 1 167 . 1 . 1 47 47 GLU H H 1 8.707 0.00 . . . . . . . 47 GLU H . 52286 1 168 . 1 . 1 47 47 GLU CA C 13 59.220 0.04 . . . . . . . 47 GLU CA . 52286 1 169 . 1 . 1 47 47 GLU CB C 13 29.331 0.03 . . . . . . . 47 GLU CB . 52286 1 170 . 1 . 1 47 47 GLU N N 15 119.493 0.00 . . . . . . . 47 GLU N . 52286 1 171 . 1 . 1 48 48 ALA H H 1 7.785 0.00 . . . . . . . 48 ALA H . 52286 1 172 . 1 . 1 48 48 ALA CA C 13 55.223 0.01 . . . . . . . 48 ALA CA . 52286 1 173 . 1 . 1 48 48 ALA CB C 13 18.118 0.01 . . . . . . . 48 ALA CB . 52286 1 174 . 1 . 1 48 48 ALA N N 15 122.185 0.00 . . . . . . . 48 ALA N . 52286 1 175 . 1 . 1 49 49 ALA H H 1 7.755 0.00 . . . . . . . 49 ALA H . 52286 1 176 . 1 . 1 49 49 ALA CA C 13 55.118 0.09 . . . . . . . 49 ALA CA . 52286 1 177 . 1 . 1 49 49 ALA CB C 13 17.733 0.03 . . . . . . . 49 ALA CB . 52286 1 178 . 1 . 1 49 49 ALA N N 15 120.237 0.00 . . . . . . . 49 ALA N . 52286 1 179 . 1 . 1 50 50 GLU H H 1 7.939 0.00 . . . . . . . 50 GLU H . 52286 1 180 . 1 . 1 50 50 GLU CA C 13 59.266 0.05 . . . . . . . 50 GLU CA . 52286 1 181 . 1 . 1 50 50 GLU CB C 13 29.365 0.04 . . . . . . . 50 GLU CB . 52286 1 182 . 1 . 1 50 50 GLU N N 15 119.365 0.01 . . . . . . . 50 GLU N . 52286 1 183 . 1 . 1 51 51 LYS H H 1 7.898 0.00 . . . . . . . 51 LYS H . 52286 1 184 . 1 . 1 51 51 LYS CA C 13 58.481 0.02 . . . . . . . 51 LYS CA . 52286 1 185 . 1 . 1 51 51 LYS CB C 13 30.582 0.02 . . . . . . . 51 LYS CB . 52286 1 186 . 1 . 1 51 51 LYS N N 15 119.800 0.02 . . . . . . . 51 LYS N . 52286 1 187 . 1 . 1 52 52 PHE H H 1 9.046 0.00 . . . . . . . 52 PHE H . 52286 1 188 . 1 . 1 52 52 PHE CA C 13 61.500 0.03 . . . . . . . 52 PHE CA . 52286 1 189 . 1 . 1 52 52 PHE CB C 13 38.904 0.01 . . . . . . . 52 PHE CB . 52286 1 190 . 1 . 1 52 52 PHE N N 15 121.365 0.01 . . . . . . . 52 PHE N . 52286 1 191 . 1 . 1 53 53 LYS H H 1 8.153 0.00 . . . . . . . 53 LYS H . 52286 1 192 . 1 . 1 53 53 LYS CA C 13 60.090 0.03 . . . . . . . 53 LYS CA . 52286 1 193 . 1 . 1 53 53 LYS CB C 13 32.215 0.03 . . . . . . . 53 LYS CB . 52286 1 194 . 1 . 1 53 53 LYS N N 15 122.577 0.01 . . . . . . . 53 LYS N . 52286 1 195 . 1 . 1 54 54 GLU H H 1 7.973 0.00 . . . . . . . 54 GLU H . 52286 1 196 . 1 . 1 54 54 GLU CA C 13 59.353 0.02 . . . . . . . 54 GLU CA . 52286 1 197 . 1 . 1 54 54 GLU CB C 13 30.079 0.01 . . . . . . . 54 GLU CB . 52286 1 198 . 1 . 1 54 54 GLU N N 15 119.935 0.03 . . . . . . . 54 GLU N . 52286 1 199 . 1 . 1 55 55 ALA H H 1 8.201 0.00 . . . . . . . 55 ALA H . 52286 1 200 . 1 . 1 55 55 ALA CA C 13 55.076 0.02 . . . . . . . 55 ALA CA . 52286 1 201 . 1 . 1 55 55 ALA CB C 13 18.019 0.00 . . . . . . . 55 ALA CB . 52286 1 202 . 1 . 1 55 55 ALA N N 15 121.499 0.01 . . . . . . . 55 ALA N . 52286 1 203 . 1 . 1 56 56 SER H H 1 8.265 0.00 . . . . . . . 56 SER H . 52286 1 204 . 1 . 1 56 56 SER CA C 13 61.964 0.00 . . . . . . . 56 SER CA . 52286 1 205 . 1 . 1 56 56 SER N N 15 113.870 0.01 . . . . . . . 56 SER N . 52286 1 206 . 1 . 1 57 57 ALA H H 1 7.841 0.00 . . . . . . . 57 ALA H . 52286 1 207 . 1 . 1 57 57 ALA CA C 13 54.866 0.01 . . . . . . . 57 ALA CA . 52286 1 208 . 1 . 1 57 57 ALA CB C 13 17.770 0.01 . . . . . . . 57 ALA CB . 52286 1 209 . 1 . 1 57 57 ALA N N 15 125.178 0.00 . . . . . . . 57 ALA N . 52286 1 210 . 1 . 1 58 58 ALA H H 1 7.360 0.00 . . . . . . . 58 ALA H . 52286 1 211 . 1 . 1 58 58 ALA CA C 13 54.319 0.03 . . . . . . . 58 ALA CA . 52286 1 212 . 1 . 1 58 58 ALA CB C 13 18.262 0.02 . . . . . . . 58 ALA CB . 52286 1 213 . 1 . 1 58 58 ALA N N 15 118.654 0.00 . . . . . . . 58 ALA N . 52286 1 214 . 1 . 1 59 59 TYR H H 1 8.280 0.00 . . . . . . . 59 TYR H . 52286 1 215 . 1 . 1 59 59 TYR CA C 13 61.492 0.05 . . . . . . . 59 TYR CA . 52286 1 216 . 1 . 1 59 59 TYR CB C 13 38.893 0.03 . . . . . . . 59 TYR CB . 52286 1 217 . 1 . 1 59 59 TYR N N 15 117.222 0.01 . . . . . . . 59 TYR N . 52286 1 218 . 1 . 1 60 60 GLU H H 1 8.072 0.00 . . . . . . . 60 GLU H . 52286 1 219 . 1 . 1 60 60 GLU CA C 13 59.394 0.03 . . . . . . . 60 GLU CA . 52286 1 220 . 1 . 1 60 60 GLU CB C 13 29.192 0.00 . . . . . . . 60 GLU CB . 52286 1 221 . 1 . 1 60 60 GLU N N 15 121.071 0.01 . . . . . . . 60 GLU N . 52286 1 222 . 1 . 1 61 61 ILE H H 1 6.567 0.00 . . . . . . . 61 ILE H . 52286 1 223 . 1 . 1 61 61 ILE CA C 13 61.559 0.02 . . . . . . . 61 ILE CA . 52286 1 224 . 1 . 1 61 61 ILE CB C 13 36.501 0.01 . . . . . . . 61 ILE CB . 52286 1 225 . 1 . 1 61 61 ILE N N 15 115.040 0.01 . . . . . . . 61 ILE N . 52286 1 226 . 1 . 1 62 62 LEU H H 1 7.830 0.00 . . . . . . . 62 LEU H . 52286 1 227 . 1 . 1 62 62 LEU CA C 13 56.756 0.04 . . . . . . . 62 LEU CA . 52286 1 228 . 1 . 1 62 62 LEU CB C 13 42.097 0.02 . . . . . . . 62 LEU CB . 52286 1 229 . 1 . 1 62 62 LEU N N 15 112.276 0.01 . . . . . . . 62 LEU N . 52286 1 230 . 1 . 1 63 63 SER H H 1 7.777 0.00 . . . . . . . 63 SER H . 52286 1 231 . 1 . 1 63 63 SER CA C 13 58.957 0.06 . . . . . . . 63 SER CA . 52286 1 232 . 1 . 1 63 63 SER CB C 13 63.541 0.01 . . . . . . . 63 SER CB . 52286 1 233 . 1 . 1 63 63 SER N N 15 108.559 0.00 . . . . . . . 63 SER N . 52286 1 234 . 1 . 1 64 64 ASP H H 1 7.055 0.00 . . . . . . . 64 ASP H . 52286 1 235 . 1 . 1 64 64 ASP CA C 13 50.188 0.00 . . . . . . . 64 ASP CA . 52286 1 236 . 1 . 1 64 64 ASP CB C 13 43.022 0.00 . . . . . . . 64 ASP CB . 52286 1 237 . 1 . 1 64 64 ASP N N 15 125.539 0.00 . . . . . . . 64 ASP N . 52286 1 238 . 1 . 1 65 65 PRO CA C 13 65.515 0.00 . . . . . . . 65 PRO CA . 52286 1 239 . 1 . 1 65 65 PRO CB C 13 32.340 0.00 . . . . . . . 65 PRO CB . 52286 1 240 . 1 . 1 66 66 GLU H H 1 7.832 0.00 . . . . . . . 66 GLU H . 52286 1 241 . 1 . 1 66 66 GLU CA C 13 59.243 0.03 . . . . . . . 66 GLU CA . 52286 1 242 . 1 . 1 66 66 GLU CB C 13 30.059 0.04 . . . . . . . 66 GLU CB . 52286 1 243 . 1 . 1 66 66 GLU N N 15 115.980 0.00 . . . . . . . 66 GLU N . 52286 1 244 . 1 . 1 67 67 LYS H H 1 7.819 0.00 . . . . . . . 67 LYS H . 52286 1 245 . 1 . 1 67 67 LYS CA C 13 59.644 0.06 . . . . . . . 67 LYS CA . 52286 1 246 . 1 . 1 67 67 LYS CB C 13 32.896 0.01 . . . . . . . 67 LYS CB . 52286 1 247 . 1 . 1 67 67 LYS N N 15 119.927 0.01 . . . . . . . 67 LYS N . 52286 1 248 . 1 . 1 68 68 ARG H H 1 9.296 0.00 . . . . . . . 68 ARG H . 52286 1 249 . 1 . 1 68 68 ARG CA C 13 60.614 0.04 . . . . . . . 68 ARG CA . 52286 1 250 . 1 . 1 68 68 ARG CB C 13 29.726 0.02 . . . . . . . 68 ARG CB . 52286 1 251 . 1 . 1 68 68 ARG N N 15 122.150 0.00 . . . . . . . 68 ARG N . 52286 1 252 . 1 . 1 69 69 ASP H H 1 7.545 0.00 . . . . . . . 69 ASP H . 52286 1 253 . 1 . 1 69 69 ASP CA C 13 57.770 0.02 . . . . . . . 69 ASP CA . 52286 1 254 . 1 . 1 69 69 ASP CB C 13 40.971 0.01 . . . . . . . 69 ASP CB . 52286 1 255 . 1 . 1 69 69 ASP N N 15 117.067 0.00 . . . . . . . 69 ASP N . 52286 1 256 . 1 . 1 70 70 ILE H H 1 7.464 0.00 . . . . . . . 70 ILE H . 52286 1 257 . 1 . 1 70 70 ILE CA C 13 64.796 0.01 . . . . . . . 70 ILE CA . 52286 1 258 . 1 . 1 70 70 ILE CB C 13 37.852 0.01 . . . . . . . 70 ILE CB . 52286 1 259 . 1 . 1 70 70 ILE N N 15 119.685 0.00 . . . . . . . 70 ILE N . 52286 1 260 . 1 . 1 71 71 TYR H H 1 9.057 0.00 . . . . . . . 71 TYR H . 52286 1 261 . 1 . 1 71 71 TYR CA C 13 61.392 0.02 . . . . . . . 71 TYR CA . 52286 1 262 . 1 . 1 71 71 TYR CB C 13 38.596 0.00 . . . . . . . 71 TYR CB . 52286 1 263 . 1 . 1 71 71 TYR N N 15 122.120 0.01 . . . . . . . 71 TYR N . 52286 1 264 . 1 . 1 72 72 ASP H H 1 9.447 0.00 . . . . . . . 72 ASP H . 52286 1 265 . 1 . 1 72 72 ASP CA C 13 57.160 0.02 . . . . . . . 72 ASP CA . 52286 1 266 . 1 . 1 72 72 ASP CB C 13 40.345 0.01 . . . . . . . 72 ASP CB . 52286 1 267 . 1 . 1 72 72 ASP N N 15 123.376 0.01 . . . . . . . 72 ASP N . 52286 1 268 . 1 . 1 73 73 GLN H H 1 7.350 0.00 . . . . . . . 73 GLN H . 52286 1 269 . 1 . 1 73 73 GLN CA C 13 58.107 0.03 . . . . . . . 73 GLN CA . 52286 1 270 . 1 . 1 73 73 GLN CB C 13 30.600 0.01 . . . . . . . 73 GLN CB . 52286 1 271 . 1 . 1 73 73 GLN N N 15 114.833 0.00 . . . . . . . 73 GLN N . 52286 1 272 . 1 . 1 74 74 PHE H H 1 8.811 0.00 . . . . . . . 74 PHE H . 52286 1 273 . 1 . 1 74 74 PHE CA C 13 57.941 0.01 . . . . . . . 74 PHE CA . 52286 1 274 . 1 . 1 74 74 PHE CB C 13 41.756 0.03 . . . . . . . 74 PHE CB . 52286 1 275 . 1 . 1 74 74 PHE N N 15 114.256 0.00 . . . . . . . 74 PHE N . 52286 1 276 . 1 . 1 75 75 GLY H H 1 8.801 0.00 . . . . . . . 75 GLY H . 52286 1 277 . 1 . 1 75 75 GLY CA C 13 44.473 0.01 . . . . . . . 75 GLY CA . 52286 1 278 . 1 . 1 75 75 GLY N N 15 111.494 0.02 . . . . . . . 75 GLY N . 52286 1 279 . 1 . 1 76 76 GLU H H 1 9.056 0.00 . . . . . . . 76 GLU H . 52286 1 280 . 1 . 1 76 76 GLU CA C 13 60.393 0.04 . . . . . . . 76 GLU CA . 52286 1 281 . 1 . 1 76 76 GLU CB C 13 30.101 0.01 . . . . . . . 76 GLU CB . 52286 1 282 . 1 . 1 76 76 GLU N N 15 121.128 0.01 . . . . . . . 76 GLU N . 52286 1 283 . 1 . 1 77 77 ASP H H 1 9.186 0.00 . . . . . . . 77 ASP H . 52286 1 284 . 1 . 1 77 77 ASP CA C 13 56.903 0.01 . . . . . . . 77 ASP CA . 52286 1 285 . 1 . 1 77 77 ASP CB C 13 40.579 0.01 . . . . . . . 77 ASP CB . 52286 1 286 . 1 . 1 77 77 ASP N N 15 119.698 0.01 . . . . . . . 77 ASP N . 52286 1 287 . 1 . 1 78 78 GLY H H 1 7.661 0.00 . . . . . . . 78 GLY H . 52286 1 288 . 1 . 1 78 78 GLY CA C 13 45.988 0.00 . . . . . . . 78 GLY CA . 52286 1 289 . 1 . 1 78 78 GLY N N 15 104.942 0.00 . . . . . . . 78 GLY N . 52286 1 290 . 1 . 1 79 79 LEU H H 1 7.576 0.00 . . . . . . . 79 LEU H . 52286 1 291 . 1 . 1 79 79 LEU CA C 13 55.404 0.02 . . . . . . . 79 LEU CA . 52286 1 292 . 1 . 1 79 79 LEU CB C 13 42.080 0.01 . . . . . . . 79 LEU CB . 52286 1 293 . 1 . 1 79 79 LEU N N 15 119.537 0.00 . . . . . . . 79 LEU N . 52286 1 294 . 1 . 1 80 80 SER H H 1 7.855 0.00 . . . . . . . 80 SER H . 52286 1 295 . 1 . 1 80 80 SER CA C 13 59.167 0.04 . . . . . . . 80 SER CA . 52286 1 296 . 1 . 1 80 80 SER CB C 13 63.691 0.01 . . . . . . . 80 SER CB . 52286 1 297 . 1 . 1 80 80 SER N N 15 114.394 0.00 . . . . . . . 80 SER N . 52286 1 298 . 1 . 1 81 81 GLY H H 1 8.201 0.00 . . . . . . . 81 GLY H . 52286 1 299 . 1 . 1 81 81 GLY CA C 13 45.500 0.01 . . . . . . . 81 GLY CA . 52286 1 300 . 1 . 1 81 81 GLY N N 15 110.361 0.00 . . . . . . . 81 GLY N . 52286 1 301 . 1 . 1 82 82 ALA H H 1 8.060 0.00 . . . . . . . 82 ALA H . 52286 1 302 . 1 . 1 82 82 ALA CA C 13 52.789 0.04 . . . . . . . 82 ALA CA . 52286 1 303 . 1 . 1 82 82 ALA CB C 13 19.153 0.01 . . . . . . . 82 ALA CB . 52286 1 304 . 1 . 1 82 82 ALA N N 15 123.612 0.00 . . . . . . . 82 ALA N . 52286 1 305 . 1 . 1 83 83 GLY H H 1 8.461 0.00 . . . . . . . 83 GLY H . 52286 1 306 . 1 . 1 83 83 GLY CA C 13 45.522 0.00 . . . . . . . 83 GLY CA . 52286 1 307 . 1 . 1 83 83 GLY N N 15 108.180 0.01 . . . . . . . 83 GLY N . 52286 1 308 . 1 . 1 84 84 GLY H H 1 8.261 0.00 . . . . . . . 84 GLY H . 52286 1 309 . 1 . 1 84 84 GLY CA C 13 45.284 0.00 . . . . . . . 84 GLY CA . 52286 1 310 . 1 . 1 84 84 GLY N N 15 108.566 0.00 . . . . . . . 84 GLY N . 52286 1 311 . 1 . 1 85 85 ALA H H 1 8.121 0.00 . . . . . . . 85 ALA H . 52286 1 312 . 1 . 1 85 85 ALA CA C 13 52.557 0.00 . . . . . . . 85 ALA CA . 52286 1 313 . 1 . 1 85 85 ALA CB C 13 19.269 0.00 . . . . . . . 85 ALA CB . 52286 1 314 . 1 . 1 85 85 ALA N N 15 123.421 0.00 . . . . . . . 85 ALA N . 52286 1 315 . 1 . 1 86 86 GLY H H 1 8.379 0.00 . . . . . . . 86 GLY H . 52286 1 316 . 1 . 1 86 86 GLY CA C 13 45.376 0.00 . . . . . . . 86 GLY CA . 52286 1 317 . 1 . 1 86 86 GLY N N 15 107.880 0.01 . . . . . . . 86 GLY N . 52286 1 318 . 1 . 1 87 87 GLY H H 1 8.066 0.00 . . . . . . . 87 GLY H . 52286 1 319 . 1 . 1 87 87 GLY CA C 13 44.903 0.01 . . . . . . . 87 GLY CA . 52286 1 320 . 1 . 1 87 87 GLY N N 15 108.127 0.00 . . . . . . . 87 GLY N . 52286 1 321 . 1 . 1 88 88 PHE H H 1 8.119 0.00 . . . . . . . 88 PHE H . 52286 1 322 . 1 . 1 88 88 PHE CA C 13 55.691 0.00 . . . . . . . 88 PHE CA . 52286 1 323 . 1 . 1 88 88 PHE CB C 13 39.127 0.00 . . . . . . . 88 PHE CB . 52286 1 324 . 1 . 1 88 88 PHE N N 15 120.830 0.02 . . . . . . . 88 PHE N . 52286 1 325 . 1 . 1 89 89 PRO CA C 13 63.673 0.01 . . . . . . . 89 PRO CA . 52286 1 326 . 1 . 1 89 89 PRO CB C 13 31.803 0.02 . . . . . . . 89 PRO CB . 52286 1 327 . 1 . 1 90 90 GLY H H 1 8.220 0.00 . . . . . . . 90 GLY H . 52286 1 328 . 1 . 1 90 90 GLY CA C 13 45.436 0.00 . . . . . . . 90 GLY CA . 52286 1 329 . 1 . 1 90 90 GLY N N 15 109.370 0.00 . . . . . . . 90 GLY N . 52286 1 330 . 1 . 1 91 91 GLY H H 1 8.244 0.00 . . . . . . . 91 GLY H . 52286 1 331 . 1 . 1 91 91 GLY CA C 13 45.391 0.01 . . . . . . . 91 GLY CA . 52286 1 332 . 1 . 1 91 91 GLY N N 15 108.495 0.02 . . . . . . . 91 GLY N . 52286 1 333 . 1 . 1 92 92 GLY H H 1 8.220 0.00 . . . . . . . 92 GLY H . 52286 1 334 . 1 . 1 92 92 GLY CA C 13 45.127 0.01 . . . . . . . 92 GLY CA . 52286 1 335 . 1 . 1 92 92 GLY N N 15 108.375 0.01 . . . . . . . 92 GLY N . 52286 1 336 . 1 . 1 93 93 PHE H H 1 8.126 0.00 . . . . . . . 93 PHE H . 52286 1 337 . 1 . 1 93 93 PHE CA C 13 57.962 0.03 . . . . . . . 93 PHE CA . 52286 1 338 . 1 . 1 93 93 PHE CB C 13 39.643 0.01 . . . . . . . 93 PHE CB . 52286 1 339 . 1 . 1 93 93 PHE N N 15 119.491 0.00 . . . . . . . 93 PHE N . 52286 1 340 . 1 . 1 94 94 GLY H H 1 8.342 0.00 . . . . . . . 94 GLY H . 52286 1 341 . 1 . 1 94 94 GLY CA C 13 45.209 0.01 . . . . . . . 94 GLY CA . 52286 1 342 . 1 . 1 94 94 GLY N N 15 110.272 0.00 . . . . . . . 94 GLY N . 52286 1 343 . 1 . 1 95 95 PHE H H 1 8.049 0.00 . . . . . . . 95 PHE H . 52286 1 344 . 1 . 1 95 95 PHE CA C 13 57.971 0.03 . . . . . . . 95 PHE CA . 52286 1 345 . 1 . 1 95 95 PHE CB C 13 39.579 0.02 . . . . . . . 95 PHE CB . 52286 1 346 . 1 . 1 95 95 PHE N N 15 119.510 0.00 . . . . . . . 95 PHE N . 52286 1 347 . 1 . 1 96 96 GLY H H 1 8.405 0.00 . . . . . . . 96 GLY H . 52286 1 348 . 1 . 1 96 96 GLY CA C 13 45.421 0.02 . . . . . . . 96 GLY CA . 52286 1 349 . 1 . 1 96 96 GLY N N 15 110.308 0.00 . . . . . . . 96 GLY N . 52286 1 350 . 1 . 1 97 97 ASP H H 1 8.204 0.00 . . . . . . . 97 ASP H . 52286 1 351 . 1 . 1 97 97 ASP CA C 13 54.809 0.01 . . . . . . . 97 ASP CA . 52286 1 352 . 1 . 1 97 97 ASP CB C 13 41.363 0.01 . . . . . . . 97 ASP CB . 52286 1 353 . 1 . 1 97 97 ASP N N 15 120.387 0.00 . . . . . . . 97 ASP N . 52286 1 354 . 1 . 1 98 98 ASP H H 1 8.391 0.00 . . . . . . . 98 ASP H . 52286 1 355 . 1 . 1 98 98 ASP CA C 13 54.600 0.03 . . . . . . . 98 ASP CA . 52286 1 356 . 1 . 1 98 98 ASP CB C 13 40.989 0.01 . . . . . . . 98 ASP CB . 52286 1 357 . 1 . 1 98 98 ASP N N 15 120.142 0.00 . . . . . . . 98 ASP N . 52286 1 358 . 1 . 1 99 99 ILE H H 1 7.941 0.00 . . . . . . . 99 ILE H . 52286 1 359 . 1 . 1 99 99 ILE CA C 13 62.508 0.02 . . . . . . . 99 ILE CA . 52286 1 360 . 1 . 1 99 99 ILE CB C 13 38.105 0.00 . . . . . . . 99 ILE CB . 52286 1 361 . 1 . 1 99 99 ILE N N 15 119.886 0.00 . . . . . . . 99 ILE N . 52286 1 362 . 1 . 1 100 100 PHE H H 1 8.087 0.00 . . . . . . . 100 PHE H . 52286 1 363 . 1 . 1 100 100 PHE CA C 13 59.000 0.02 . . . . . . . 100 PHE CA . 52286 1 364 . 1 . 1 100 100 PHE CB C 13 38.994 0.01 . . . . . . . 100 PHE CB . 52286 1 365 . 1 . 1 100 100 PHE N N 15 120.796 0.01 . . . . . . . 100 PHE N . 52286 1 366 . 1 . 1 101 101 SER H H 1 8.034 0.00 . . . . . . . 101 SER H . 52286 1 367 . 1 . 1 101 101 SER CA C 13 59.522 0.07 . . . . . . . 101 SER CA . 52286 1 368 . 1 . 1 101 101 SER CB C 13 63.473 0.02 . . . . . . . 101 SER CB . 52286 1 369 . 1 . 1 101 101 SER N N 15 115.723 0.00 . . . . . . . 101 SER N . 52286 1 370 . 1 . 1 102 102 GLN H H 1 8.128 0.00 . . . . . . . 102 GLN H . 52286 1 371 . 1 . 1 102 102 GLN CA C 13 56.737 0.03 . . . . . . . 102 GLN CA . 52286 1 372 . 1 . 1 102 102 GLN CB C 13 28.905 0.01 . . . . . . . 102 GLN CB . 52286 1 373 . 1 . 1 102 102 GLN N N 15 120.909 0.03 . . . . . . . 102 GLN N . 52286 1 374 . 1 . 1 103 103 PHE H H 1 7.940 0.00 . . . . . . . 103 PHE H . 52286 1 375 . 1 . 1 103 103 PHE CA C 13 58.169 0.02 . . . . . . . 103 PHE CA . 52286 1 376 . 1 . 1 103 103 PHE CB C 13 39.547 0.01 . . . . . . . 103 PHE CB . 52286 1 377 . 1 . 1 103 103 PHE N N 15 119.035 0.00 . . . . . . . 103 PHE N . 52286 1 378 . 1 . 1 104 104 PHE H H 1 8.047 0.00 . . . . . . . 104 PHE H . 52286 1 379 . 1 . 1 104 104 PHE CA C 13 57.928 0.05 . . . . . . . 104 PHE CA . 52286 1 380 . 1 . 1 104 104 PHE CB C 13 39.602 0.06 . . . . . . . 104 PHE CB . 52286 1 381 . 1 . 1 104 104 PHE N N 15 119.911 0.01 . . . . . . . 104 PHE N . 52286 1 382 . 1 . 1 105 105 GLY H H 1 7.976 0.00 . . . . . . . 105 GLY H . 52286 1 383 . 1 . 1 105 105 GLY CA C 13 45.340 0.01 . . . . . . . 105 GLY CA . 52286 1 384 . 1 . 1 105 105 GLY N N 15 109.678 0.00 . . . . . . . 105 GLY N . 52286 1 385 . 1 . 1 106 106 ALA H H 1 8.205 0.00 . . . . . . . 106 ALA H . 52286 1 386 . 1 . 1 106 106 ALA CA C 13 52.749 0.00 . . . . . . . 106 ALA CA . 52286 1 387 . 1 . 1 106 106 ALA CB C 13 19.163 0.03 . . . . . . . 106 ALA CB . 52286 1 388 . 1 . 1 106 106 ALA N N 15 123.792 0.00 . . . . . . . 106 ALA N . 52286 1 389 . 1 . 1 107 107 GLY H H 1 8.383 0.00 . . . . . . . 107 GLY H . 52286 1 390 . 1 . 1 107 107 GLY CA C 13 45.485 0.02 . . . . . . . 107 GLY CA . 52286 1 391 . 1 . 1 107 107 GLY N N 15 107.915 0.00 . . . . . . . 107 GLY N . 52286 1 392 . 1 . 1 108 108 GLY H H 1 8.167 0.00 . . . . . . . 108 GLY H . 52286 1 393 . 1 . 1 108 108 GLY CA C 13 45.257 0.00 . . . . . . . 108 GLY CA . 52286 1 394 . 1 . 1 108 108 GLY N N 15 108.595 0.00 . . . . . . . 108 GLY N . 52286 1 395 . 1 . 1 109 109 ALA H H 1 8.231 0.00 . . . . . . . 109 ALA H . 52286 1 396 . 1 . 1 109 109 ALA CA C 13 52.616 0.07 . . . . . . . 109 ALA CA . 52286 1 397 . 1 . 1 109 109 ALA CB C 13 19.235 0.03 . . . . . . . 109 ALA CB . 52286 1 398 . 1 . 1 109 109 ALA N N 15 123.802 0.00 . . . . . . . 109 ALA N . 52286 1 399 . 1 . 1 110 110 GLN H H 1 8.298 0.00 . . . . . . . 110 GLN H . 52286 1 400 . 1 . 1 110 110 GLN CA C 13 55.657 0.00 . . . . . . . 110 GLN CA . 52286 1 401 . 1 . 1 110 110 GLN CB C 13 29.426 0.00 . . . . . . . 110 GLN CB . 52286 1 402 . 1 . 1 110 110 GLN N N 15 119.065 0.00 . . . . . . . 110 GLN N . 52286 1 403 . 1 . 1 111 111 ARG H H 1 8.256 0.00 . . . . . . . 111 ARG H . 52286 1 404 . 1 . 1 111 111 ARG CA C 13 54.008 0.00 . . . . . . . 111 ARG CA . 52286 1 405 . 1 . 1 111 111 ARG CB C 13 30.129 0.00 . . . . . . . 111 ARG CB . 52286 1 406 . 1 . 1 111 111 ARG N N 15 123.289 0.00 . . . . . . . 111 ARG N . 52286 1 407 . 1 . 1 112 112 PRO CA C 13 63.284 0.00 . . . . . . . 112 PRO CA . 52286 1 408 . 1 . 1 112 112 PRO CB C 13 32.105 0.00 . . . . . . . 112 PRO CB . 52286 1 409 . 1 . 1 113 113 ARG H H 1 8.458 0.00 . . . . . . . 113 ARG H . 52286 1 410 . 1 . 1 113 113 ARG CA C 13 56.122 0.01 . . . . . . . 113 ARG CA . 52286 1 411 . 1 . 1 113 113 ARG CB C 13 30.960 0.00 . . . . . . . 113 ARG CB . 52286 1 412 . 1 . 1 113 113 ARG N N 15 121.562 0.00 . . . . . . . 113 ARG N . 52286 1 413 . 1 . 1 114 114 GLY H H 1 7.962 0.00 . . . . . . . 114 GLY H . 52286 1 414 . 1 . 1 114 114 GLY CA C 13 46.128 0.00 . . . . . . . 114 GLY CA . 52286 1 415 . 1 . 1 114 114 GLY N N 15 116.152 0.00 . . . . . . . 114 GLY N . 52286 1 stop_ save_