################################### # 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 52287 _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' . . . 52287 1 2 '3D CBCA(CO)NH' . . . 52287 1 4 '3D HNCA' . . . 52287 1 5 '3D HN(CO)CA' . . . 52287 1 6 '2D 1H-15N HSQC' . . . 52287 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 . . 52287 1 2 $software_2 . . 52287 1 3 $software_3 . . 52287 1 4 $software_4 . . 52287 1 5 $software_5 . . 52287 1 6 $software_6 . . 52287 1 7 $software_7 . . 52287 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 56.525 0.01 . . . . . . . 2 GLU CA . 52287 1 2 . 1 . 1 2 2 GLU CB C 13 30.373 0.03 . . . . . . . 2 GLU CB . 52287 1 3 . 1 . 1 3 3 PHE H H 1 8.633 0.00 . . . . . . . 3 PHE H . 52287 1 4 . 1 . 1 3 3 PHE CA C 13 58.122 0.04 . . . . . . . 3 PHE CA . 52287 1 5 . 1 . 1 3 3 PHE CB C 13 39.335 0.03 . . . . . . . 3 PHE CB . 52287 1 6 . 1 . 1 3 3 PHE N N 15 121.332 0.01 . . . . . . . 3 PHE N . 52287 1 7 . 1 . 1 4 4 GLY H H 1 8.408 0.00 . . . . . . . 4 GLY H . 52287 1 8 . 1 . 1 4 4 GLY CA C 13 45.331 0.01 . . . . . . . 4 GLY CA . 52287 1 9 . 1 . 1 4 4 GLY N N 15 110.911 0.01 . . . . . . . 4 GLY N . 52287 1 10 . 1 . 1 5 5 SER H H 1 8.223 0.00 . . . . . . . 5 SER H . 52287 1 11 . 1 . 1 5 5 SER CA C 13 58.380 0.03 . . . . . . . 5 SER CA . 52287 1 12 . 1 . 1 5 5 SER CB C 13 63.795 0.03 . . . . . . . 5 SER CB . 52287 1 13 . 1 . 1 5 5 SER N N 15 115.668 0.00 . . . . . . . 5 SER N . 52287 1 14 . 1 . 1 6 6 MET H H 1 8.470 0.00 . . . . . . . 6 MET H . 52287 1 15 . 1 . 1 6 6 MET CA C 13 55.558 0.01 . . . . . . . 6 MET CA . 52287 1 16 . 1 . 1 6 6 MET CB C 13 32.784 0.06 . . . . . . . 6 MET CB . 52287 1 17 . 1 . 1 6 6 MET N N 15 122.376 0.01 . . . . . . . 6 MET N . 52287 1 18 . 1 . 1 7 7 VAL H H 1 8.176 0.00 . . . . . . . 7 VAL H . 52287 1 19 . 1 . 1 7 7 VAL CA C 13 62.233 0.05 . . . . . . . 7 VAL CA . 52287 1 20 . 1 . 1 7 7 VAL CB C 13 32.765 0.02 . . . . . . . 7 VAL CB . 52287 1 21 . 1 . 1 7 7 VAL N N 15 121.697 0.01 . . . . . . . 7 VAL N . 52287 1 22 . 1 . 1 8 8 LYS H H 1 8.467 0.00 . . . . . . . 8 LYS H . 52287 1 23 . 1 . 1 8 8 LYS CA C 13 56.293 0.03 . . . . . . . 8 LYS CA . 52287 1 24 . 1 . 1 8 8 LYS CB C 13 32.938 0.03 . . . . . . . 8 LYS CB . 52287 1 25 . 1 . 1 8 8 LYS N N 15 125.836 0.01 . . . . . . . 8 LYS N . 52287 1 26 . 1 . 1 9 9 GLU H H 1 8.593 0.00 . . . . . . . 9 GLU H . 52287 1 27 . 1 . 1 9 9 GLU CA C 13 56.548 0.00 . . . . . . . 9 GLU CA . 52287 1 28 . 1 . 1 9 9 GLU CB C 13 30.312 0.00 . . . . . . . 9 GLU CB . 52287 1 29 . 1 . 1 9 9 GLU N N 15 123.094 0.02 . . . . . . . 9 GLU N . 52287 1 30 . 1 . 1 15 15 ILE H H 1 8.322 0.00 . . . . . . . 15 ILE H . 52287 1 31 . 1 . 1 15 15 ILE CA C 13 64.381 0.03 . . . . . . . 15 ILE CA . 52287 1 32 . 1 . 1 15 15 ILE N N 15 120.783 0.00 . . . . . . . 15 ILE N . 52287 1 33 . 1 . 1 16 16 LEU H H 1 6.954 0.00 . . . . . . . 16 LEU H . 52287 1 34 . 1 . 1 16 16 LEU CA C 13 55.160 0.00 . . . . . . . 16 LEU CA . 52287 1 35 . 1 . 1 16 16 LEU CB C 13 42.503 0.09 . . . . . . . 16 LEU CB . 52287 1 36 . 1 . 1 16 16 LEU N N 15 116.031 0.02 . . . . . . . 16 LEU N . 52287 1 37 . 1 . 1 17 17 GLY H H 1 8.106 0.00 . . . . . . . 17 GLY H . 52287 1 38 . 1 . 1 17 17 GLY CA C 13 46.567 0.03 . . . . . . . 17 GLY CA . 52287 1 39 . 1 . 1 17 17 GLY N N 15 109.046 0.01 . . . . . . . 17 GLY N . 52287 1 40 . 1 . 1 18 18 VAL H H 1 7.853 0.00 . . . . . . . 18 VAL H . 52287 1 41 . 1 . 1 18 18 VAL CA C 13 56.988 0.00 . . . . . . . 18 VAL CA . 52287 1 42 . 1 . 1 18 18 VAL CB C 13 33.248 0.00 . . . . . . . 18 VAL CB . 52287 1 43 . 1 . 1 18 18 VAL N N 15 111.690 0.01 . . . . . . . 18 VAL N . 52287 1 44 . 1 . 1 19 19 PRO CA C 13 61.605 0.00 . . . . . . . 19 PRO CA . 52287 1 45 . 1 . 1 19 19 PRO CB C 13 32.952 0.00 . . . . . . . 19 PRO CB . 52287 1 46 . 1 . 1 20 20 VAL H H 1 8.185 0.00 . . . . . . . 20 VAL H . 52287 1 47 . 1 . 1 20 20 VAL CA C 13 61.262 0.00 . . . . . . . 20 VAL CA . 52287 1 48 . 1 . 1 20 20 VAL CB C 13 30.732 0.00 . . . . . . . 20 VAL CB . 52287 1 49 . 1 . 1 20 20 VAL N N 15 114.765 0.03 . . . . . . . 20 VAL N . 52287 1 50 . 1 . 1 21 21 THR H H 1 6.712 0.00 . . . . . . . 21 THR H . 52287 1 51 . 1 . 1 21 21 THR CA C 13 60.210 0.01 . . . . . . . 21 THR CA . 52287 1 52 . 1 . 1 21 21 THR CB C 13 68.111 0.03 . . . . . . . 21 THR CB . 52287 1 53 . 1 . 1 21 21 THR N N 15 104.298 0.00 . . . . . . . 21 THR N . 52287 1 54 . 1 . 1 22 22 ALA H H 1 7.596 0.00 . . . . . . . 22 ALA H . 52287 1 55 . 1 . 1 22 22 ALA CA C 13 52.722 0.01 . . . . . . . 22 ALA CA . 52287 1 56 . 1 . 1 22 22 ALA CB C 13 19.828 0.06 . . . . . . . 22 ALA CB . 52287 1 57 . 1 . 1 22 22 ALA N N 15 124.719 0.01 . . . . . . . 22 ALA N . 52287 1 58 . 1 . 1 23 23 THR H H 1 8.929 0.00 . . . . . . . 23 THR H . 52287 1 59 . 1 . 1 23 23 THR CA C 13 60.499 0.05 . . . . . . . 23 THR CA . 52287 1 60 . 1 . 1 23 23 THR CB C 13 71.440 0.03 . . . . . . . 23 THR CB . 52287 1 61 . 1 . 1 23 23 THR N N 15 112.734 0.01 . . . . . . . 23 THR N . 52287 1 62 . 1 . 1 24 24 ASP H H 1 9.015 0.00 . . . . . . . 24 ASP H . 52287 1 63 . 1 . 1 24 24 ASP CA C 13 57.868 0.05 . . . . . . . 24 ASP CA . 52287 1 64 . 1 . 1 24 24 ASP CB C 13 40.147 0.08 . . . . . . . 24 ASP CB . 52287 1 65 . 1 . 1 24 24 ASP N N 15 120.645 0.00 . . . . . . . 24 ASP N . 52287 1 66 . 1 . 1 25 25 VAL H H 1 8.219 0.00 . . . . . . . 25 VAL H . 52287 1 67 . 1 . 1 25 25 VAL CA C 13 66.152 0.04 . . . . . . . 25 VAL CA . 52287 1 68 . 1 . 1 25 25 VAL CB C 13 32.401 0.00 . . . . . . . 25 VAL CB . 52287 1 69 . 1 . 1 25 25 VAL N N 15 120.065 0.02 . . . . . . . 25 VAL N . 52287 1 70 . 1 . 1 26 26 GLU H H 1 7.702 0.00 . . . . . . . 26 GLU H . 52287 1 71 . 1 . 1 26 26 GLU CA C 13 59.447 0.03 . . . . . . . 26 GLU CA . 52287 1 72 . 1 . 1 26 26 GLU CB C 13 30.051 0.00 . . . . . . . 26 GLU CB . 52287 1 73 . 1 . 1 26 26 GLU N N 15 121.562 0.01 . . . . . . . 26 GLU N . 52287 1 74 . 1 . 1 27 27 ILE H H 1 8.561 0.00 . . . . . . . 27 ILE H . 52287 1 75 . 1 . 1 27 27 ILE CA C 13 66.269 0.03 . . . . . . . 27 ILE CA . 52287 1 76 . 1 . 1 27 27 ILE CB C 13 44.874 0.03 . . . . . . . 27 ILE CB . 52287 1 77 . 1 . 1 27 27 ILE N N 15 122.795 0.01 . . . . . . . 27 ILE N . 52287 1 78 . 1 . 1 28 28 LYS H H 1 8.191 0.00 . . . . . . . 28 LYS H . 52287 1 79 . 1 . 1 28 28 LYS CA C 13 60.861 0.03 . . . . . . . 28 LYS CA . 52287 1 80 . 1 . 1 28 28 LYS CB C 13 32.423 0.09 . . . . . . . 28 LYS CB . 52287 1 81 . 1 . 1 28 28 LYS N N 15 120.519 0.05 . . . . . . . 28 LYS N . 52287 1 82 . 1 . 1 29 29 LYS H H 1 8.327 0.00 . . . . . . . 29 LYS H . 52287 1 83 . 1 . 1 29 29 LYS CA C 13 59.875 0.03 . . . . . . . 29 LYS CA . 52287 1 84 . 1 . 1 29 29 LYS CB C 13 32.851 0.03 . . . . . . . 29 LYS CB . 52287 1 85 . 1 . 1 29 29 LYS N N 15 119.172 0.03 . . . . . . . 29 LYS N . 52287 1 86 . 1 . 1 30 30 ALA H H 1 8.153 0.00 . . . . . . . 30 ALA H . 52287 1 87 . 1 . 1 30 30 ALA CA C 13 55.124 0.05 . . . . . . . 30 ALA CA . 52287 1 88 . 1 . 1 30 30 ALA CB C 13 19.475 0.05 . . . . . . . 30 ALA CB . 52287 1 89 . 1 . 1 30 30 ALA N N 15 122.693 0.02 . . . . . . . 30 ALA N . 52287 1 90 . 1 . 1 31 31 TYR H H 1 8.690 0.00 . . . . . . . 31 TYR H . 52287 1 91 . 1 . 1 31 31 TYR CA C 13 61.364 0.06 . . . . . . . 31 TYR CA . 52287 1 92 . 1 . 1 31 31 TYR CB C 13 38.557 0.02 . . . . . . . 31 TYR CB . 52287 1 93 . 1 . 1 31 31 TYR N N 15 119.736 0.01 . . . . . . . 31 TYR N . 52287 1 94 . 1 . 1 32 32 ARG H H 1 8.184 0.00 . . . . . . . 32 ARG H . 52287 1 95 . 1 . 1 32 32 ARG CA C 13 59.364 0.09 . . . . . . . 32 ARG CA . 52287 1 96 . 1 . 1 32 32 ARG CB C 13 29.057 0.04 . . . . . . . 32 ARG CB . 52287 1 97 . 1 . 1 32 32 ARG N N 15 119.070 0.02 . . . . . . . 32 ARG N . 52287 1 98 . 1 . 1 33 33 LYS H H 1 7.630 0.00 . . . . . . . 33 LYS H . 52287 1 99 . 1 . 1 33 33 LYS CA C 13 59.892 0.03 . . . . . . . 33 LYS CA . 52287 1 100 . 1 . 1 33 33 LYS CB C 13 32.279 0.05 . . . . . . . 33 LYS CB . 52287 1 101 . 1 . 1 33 33 LYS N N 15 117.842 0.02 . . . . . . . 33 LYS N . 52287 1 102 . 1 . 1 34 34 CYS H H 1 7.804 0.00 . . . . . . . 34 CYS H . 52287 1 103 . 1 . 1 34 34 CYS CA C 13 63.417 0.03 . . . . . . . 34 CYS CA . 52287 1 104 . 1 . 1 34 34 CYS CB C 13 26.803 0.03 . . . . . . . 34 CYS CB . 52287 1 105 . 1 . 1 34 34 CYS N N 15 119.063 0.01 . . . . . . . 34 CYS N . 52287 1 106 . 1 . 1 35 35 ALA H H 1 8.616 0.00 . . . . . . . 35 ALA H . 52287 1 107 . 1 . 1 35 35 ALA CA C 13 54.871 0.02 . . . . . . . 35 ALA CA . 52287 1 108 . 1 . 1 35 35 ALA CB C 13 17.502 0.03 . . . . . . . 35 ALA CB . 52287 1 109 . 1 . 1 35 35 ALA N N 15 122.040 0.01 . . . . . . . 35 ALA N . 52287 1 110 . 1 . 1 36 36 LEU H H 1 7.615 0.00 . . . . . . . 36 LEU H . 52287 1 111 . 1 . 1 36 36 LEU CA C 13 57.242 0.03 . . . . . . . 36 LEU CA . 52287 1 112 . 1 . 1 36 36 LEU CB C 13 42.092 0.05 . . . . . . . 36 LEU CB . 52287 1 113 . 1 . 1 36 36 LEU N N 15 115.968 0.04 . . . . . . . 36 LEU N . 52287 1 114 . 1 . 1 37 37 LYS H H 1 7.263 0.00 . . . . . . . 37 LYS H . 52287 1 115 . 1 . 1 37 37 LYS CA C 13 58.265 0.03 . . . . . . . 37 LYS CA . 52287 1 116 . 1 . 1 37 37 LYS CB C 13 33.130 0.00 . . . . . . . 37 LYS CB . 52287 1 117 . 1 . 1 37 37 LYS N N 15 116.995 0.01 . . . . . . . 37 LYS N . 52287 1 118 . 1 . 1 38 38 TYR H H 1 7.704 0.00 . . . . . . . 38 TYR H . 52287 1 119 . 1 . 1 38 38 TYR CA C 13 56.170 0.00 . . . . . . . 38 TYR CA . 52287 1 120 . 1 . 1 38 38 TYR N N 15 114.347 0.01 . . . . . . . 38 TYR N . 52287 1 121 . 1 . 1 39 39 HIS H H 1 7.442 0.00 . . . . . . . 39 HIS H . 52287 1 122 . 1 . 1 39 39 HIS CA C 13 56.380 0.09 . . . . . . . 39 HIS CA . 52287 1 123 . 1 . 1 39 39 HIS N N 15 121.577 0.02 . . . . . . . 39 HIS N . 52287 1 124 . 1 . 1 41 41 ASP CA C 13 56.110 0.00 . . . . . . . 41 ASP CA . 52287 1 125 . 1 . 1 41 41 ASP CB C 13 40.254 0.00 . . . . . . . 41 ASP CB . 52287 1 126 . 1 . 1 42 42 LYS H H 1 8.008 0.00 . . . . . . . 42 LYS H . 52287 1 127 . 1 . 1 42 42 LYS CA C 13 55.350 0.01 . . . . . . . 42 LYS CA . 52287 1 128 . 1 . 1 42 42 LYS CB C 13 33.392 0.03 . . . . . . . 42 LYS CB . 52287 1 129 . 1 . 1 42 42 LYS N N 15 117.897 0.02 . . . . . . . 42 LYS N . 52287 1 130 . 1 . 1 43 43 ASN H H 1 8.106 0.00 . . . . . . . 43 ASN H . 52287 1 131 . 1 . 1 43 43 ASN CA C 13 50.238 0.00 . . . . . . . 43 ASN CA . 52287 1 132 . 1 . 1 43 43 ASN CB C 13 39.884 0.00 . . . . . . . 43 ASN CB . 52287 1 133 . 1 . 1 43 43 ASN N N 15 117.038 0.03 . . . . . . . 43 ASN N . 52287 1 134 . 1 . 1 44 44 PRO CA C 13 63.528 0.03 . . . . . . . 44 PRO CA . 52287 1 135 . 1 . 1 44 44 PRO CB C 13 32.079 0.03 . . . . . . . 44 PRO CB . 52287 1 136 . 1 . 1 45 45 SER H H 1 8.070 0.00 . . . . . . . 45 SER H . 52287 1 137 . 1 . 1 45 45 SER CA C 13 58.647 0.04 . . . . . . . 45 SER CA . 52287 1 138 . 1 . 1 45 45 SER CB C 13 65.213 0.04 . . . . . . . 45 SER CB . 52287 1 139 . 1 . 1 45 45 SER N N 15 117.182 0.01 . . . . . . . 45 SER N . 52287 1 140 . 1 . 1 46 46 GLU H H 1 9.312 0.00 . . . . . . . 46 GLU H . 52287 1 141 . 1 . 1 46 46 GLU CA C 13 59.524 0.04 . . . . . . . 46 GLU CA . 52287 1 142 . 1 . 1 46 46 GLU CB C 13 29.311 0.06 . . . . . . . 46 GLU CB . 52287 1 143 . 1 . 1 46 46 GLU N N 15 124.782 0.05 . . . . . . . 46 GLU N . 52287 1 144 . 1 . 1 47 47 GLU H H 1 8.803 0.00 . . . . . . . 47 GLU H . 52287 1 145 . 1 . 1 47 47 GLU CA C 13 59.358 0.00 . . . . . . . 47 GLU CA . 52287 1 146 . 1 . 1 47 47 GLU CB C 13 29.258 0.02 . . . . . . . 47 GLU CB . 52287 1 147 . 1 . 1 47 47 GLU N N 15 119.952 0.00 . . . . . . . 47 GLU N . 52287 1 148 . 1 . 1 48 48 ALA H H 1 7.897 0.00 . . . . . . . 48 ALA H . 52287 1 149 . 1 . 1 48 48 ALA CA C 13 55.295 0.03 . . . . . . . 48 ALA CA . 52287 1 150 . 1 . 1 48 48 ALA CB C 13 17.867 0.08 . . . . . . . 48 ALA CB . 52287 1 151 . 1 . 1 48 48 ALA N N 15 122.255 0.03 . . . . . . . 48 ALA N . 52287 1 152 . 1 . 1 49 49 ALA H H 1 7.701 0.00 . . . . . . . 49 ALA H . 52287 1 153 . 1 . 1 49 49 ALA CA C 13 54.980 0.03 . . . . . . . 49 ALA CA . 52287 1 154 . 1 . 1 49 49 ALA CB C 13 17.527 0.03 . . . . . . . 49 ALA CB . 52287 1 155 . 1 . 1 49 49 ALA N N 15 120.351 0.02 . . . . . . . 49 ALA N . 52287 1 156 . 1 . 1 50 50 GLU H H 1 7.980 0.00 . . . . . . . 50 GLU H . 52287 1 157 . 1 . 1 50 50 GLU CA C 13 59.211 0.03 . . . . . . . 50 GLU CA . 52287 1 158 . 1 . 1 50 50 GLU CB C 13 29.237 0.06 . . . . . . . 50 GLU CB . 52287 1 159 . 1 . 1 50 50 GLU N N 15 119.909 0.01 . . . . . . . 50 GLU N . 52287 1 160 . 1 . 1 51 51 LYS H H 1 7.929 0.00 . . . . . . . 51 LYS H . 52287 1 161 . 1 . 1 51 51 LYS CA C 13 58.380 0.03 . . . . . . . 51 LYS CA . 52287 1 162 . 1 . 1 51 51 LYS CB C 13 30.365 0.03 . . . . . . . 51 LYS CB . 52287 1 163 . 1 . 1 51 51 LYS N N 15 120.075 0.02 . . . . . . . 51 LYS N . 52287 1 164 . 1 . 1 52 52 PHE H H 1 9.152 0.00 . . . . . . . 52 PHE H . 52287 1 165 . 1 . 1 52 52 PHE CA C 13 61.421 0.03 . . . . . . . 52 PHE CA . 52287 1 166 . 1 . 1 52 52 PHE CB C 13 38.836 0.00 . . . . . . . 52 PHE CB . 52287 1 167 . 1 . 1 52 52 PHE N N 15 121.726 0.02 . . . . . . . 52 PHE N . 52287 1 168 . 1 . 1 53 53 LYS H H 1 8.133 0.00 . . . . . . . 53 LYS H . 52287 1 169 . 1 . 1 53 53 LYS CA C 13 59.917 0.03 . . . . . . . 53 LYS CA . 52287 1 170 . 1 . 1 53 53 LYS CB C 13 32.266 0.03 . . . . . . . 53 LYS CB . 52287 1 171 . 1 . 1 53 53 LYS N N 15 122.337 0.02 . . . . . . . 53 LYS N . 52287 1 172 . 1 . 1 54 54 GLU H H 1 8.036 0.00 . . . . . . . 54 GLU H . 52287 1 173 . 1 . 1 54 54 GLU CA C 13 59.331 0.04 . . . . . . . 54 GLU CA . 52287 1 174 . 1 . 1 54 54 GLU CB C 13 30.085 0.07 . . . . . . . 54 GLU CB . 52287 1 175 . 1 . 1 54 54 GLU N N 15 120.258 0.02 . . . . . . . 54 GLU N . 52287 1 176 . 1 . 1 55 55 ALA H H 1 8.278 0.00 . . . . . . . 55 ALA H . 52287 1 177 . 1 . 1 55 55 ALA CA C 13 55.124 0.04 . . . . . . . 55 ALA CA . 52287 1 178 . 1 . 1 55 55 ALA CB C 13 17.986 0.04 . . . . . . . 55 ALA CB . 52287 1 179 . 1 . 1 55 55 ALA N N 15 121.784 0.02 . . . . . . . 55 ALA N . 52287 1 180 . 1 . 1 56 56 SER H H 1 8.319 0.00 . . . . . . . 56 SER H . 52287 1 181 . 1 . 1 56 56 SER CA C 13 62.025 0.00 . . . . . . . 56 SER CA . 52287 1 182 . 1 . 1 56 56 SER CB C 13 62.488 0.03 . . . . . . . 56 SER CB . 52287 1 183 . 1 . 1 56 56 SER N N 15 113.922 0.01 . . . . . . . 56 SER N . 52287 1 184 . 1 . 1 57 57 ALA H H 1 7.912 0.00 . . . . . . . 57 ALA H . 52287 1 185 . 1 . 1 57 57 ALA CA C 13 54.912 0.07 . . . . . . . 57 ALA CA . 52287 1 186 . 1 . 1 57 57 ALA CB C 13 17.749 0.05 . . . . . . . 57 ALA CB . 52287 1 187 . 1 . 1 57 57 ALA N N 15 125.390 0.02 . . . . . . . 57 ALA N . 52287 1 188 . 1 . 1 58 58 ALA H H 1 7.591 0.00 . . . . . . . 58 ALA H . 52287 1 189 . 1 . 1 58 58 ALA CA C 13 54.251 0.02 . . . . . . . 58 ALA CA . 52287 1 190 . 1 . 1 58 58 ALA CB C 13 18.656 0.05 . . . . . . . 58 ALA CB . 52287 1 191 . 1 . 1 58 58 ALA N N 15 119.071 0.02 . . . . . . . 58 ALA N . 52287 1 192 . 1 . 1 59 59 TYR H H 1 8.271 0.00 . . . . . . . 59 TYR H . 52287 1 193 . 1 . 1 59 59 TYR CA C 13 61.225 0.03 . . . . . . . 59 TYR CA . 52287 1 194 . 1 . 1 59 59 TYR CB C 13 38.778 0.03 . . . . . . . 59 TYR CB . 52287 1 195 . 1 . 1 59 59 TYR N N 15 117.141 0.01 . . . . . . . 59 TYR N . 52287 1 196 . 1 . 1 60 60 GLU H H 1 8.041 0.00 . . . . . . . 60 GLU H . 52287 1 197 . 1 . 1 60 60 GLU CA C 13 59.278 0.02 . . . . . . . 60 GLU CA . 52287 1 198 . 1 . 1 60 60 GLU CB C 13 29.230 0.04 . . . . . . . 60 GLU CB . 52287 1 199 . 1 . 1 60 60 GLU N N 15 120.879 0.01 . . . . . . . 60 GLU N . 52287 1 200 . 1 . 1 61 61 ILE H H 1 6.603 0.00 . . . . . . . 61 ILE H . 52287 1 201 . 1 . 1 61 61 ILE N N 15 115.564 0.00 . . . . . . . 61 ILE N . 52287 1 202 . 1 . 1 74 74 PHE H H 1 7.779 0.00 . . . . . . . 74 PHE H . 52287 1 203 . 1 . 1 74 74 PHE CA C 13 58.918 0.02 . . . . . . . 74 PHE CA . 52287 1 204 . 1 . 1 74 74 PHE N N 15 119.964 0.00 . . . . . . . 74 PHE N . 52287 1 205 . 1 . 1 75 75 ASN H H 1 8.173 0.00 . . . . . . . 75 ASN H . 52287 1 206 . 1 . 1 75 75 ASN CA C 13 53.728 0.04 . . . . . . . 75 ASN CA . 52287 1 207 . 1 . 1 75 75 ASN CB C 13 39.039 0.03 . . . . . . . 75 ASN CB . 52287 1 208 . 1 . 1 75 75 ASN N N 15 119.546 0.03 . . . . . . . 75 ASN N . 52287 1 209 . 1 . 1 76 76 GLU H H 1 8.299 0.00 . . . . . . . 76 GLU H . 52287 1 210 . 1 . 1 76 76 GLU CA C 13 57.600 0.03 . . . . . . . 76 GLU CA . 52287 1 211 . 1 . 1 76 76 GLU CB C 13 30.043 0.03 . . . . . . . 76 GLU CB . 52287 1 212 . 1 . 1 76 76 GLU N N 15 121.379 0.00 . . . . . . . 76 GLU N . 52287 1 213 . 1 . 1 77 77 ASP H H 1 8.388 0.00 . . . . . . . 77 ASP H . 52287 1 214 . 1 . 1 77 77 ASP CA C 13 54.995 0.04 . . . . . . . 77 ASP CA . 52287 1 215 . 1 . 1 77 77 ASP CB C 13 41.083 0.04 . . . . . . . 77 ASP CB . 52287 1 216 . 1 . 1 77 77 ASP N N 15 120.191 0.01 . . . . . . . 77 ASP N . 52287 1 217 . 1 . 1 78 78 GLY H H 1 8.207 0.00 . . . . . . . 78 GLY H . 52287 1 218 . 1 . 1 78 78 GLY CA C 13 45.811 0.00 . . . . . . . 78 GLY CA . 52287 1 219 . 1 . 1 78 78 GLY N N 15 108.707 0.01 . . . . . . . 78 GLY N . 52287 1 220 . 1 . 1 79 79 LEU H H 1 8.096 0.00 . . . . . . . 79 LEU H . 52287 1 221 . 1 . 1 79 79 LEU CA C 13 55.388 0.03 . . . . . . . 79 LEU CA . 52287 1 222 . 1 . 1 79 79 LEU CB C 13 42.096 0.04 . . . . . . . 79 LEU CB . 52287 1 223 . 1 . 1 79 79 LEU N N 15 120.957 0.01 . . . . . . . 79 LEU N . 52287 1 224 . 1 . 1 80 80 SER H H 1 8.325 0.00 . . . . . . . 80 SER H . 52287 1 225 . 1 . 1 80 80 SER CA C 13 58.834 0.02 . . . . . . . 80 SER CA . 52287 1 226 . 1 . 1 80 80 SER CB C 13 63.651 0.02 . . . . . . . 80 SER CB . 52287 1 227 . 1 . 1 80 80 SER N N 15 115.837 0.01 . . . . . . . 80 SER N . 52287 1 228 . 1 . 1 81 81 GLY H H 1 8.378 0.00 . . . . . . . 81 GLY H . 52287 1 229 . 1 . 1 81 81 GLY CA C 13 45.329 0.01 . . . . . . . 81 GLY CA . 52287 1 230 . 1 . 1 81 81 GLY N N 15 110.734 0.01 . . . . . . . 81 GLY N . 52287 1 231 . 1 . 1 82 82 ALA H H 1 8.227 0.00 . . . . . . . 82 ALA H . 52287 1 232 . 1 . 1 82 82 ALA CA C 13 52.754 0.01 . . . . . . . 82 ALA CA . 52287 1 233 . 1 . 1 82 82 ALA CB C 13 19.135 0.04 . . . . . . . 82 ALA CB . 52287 1 234 . 1 . 1 82 82 ALA N N 15 123.755 0.01 . . . . . . . 82 ALA N . 52287 1 235 . 1 . 1 83 83 GLY H H 1 8.508 0.00 . . . . . . . 83 GLY H . 52287 1 236 . 1 . 1 83 83 GLY CA C 13 45.401 0.03 . . . . . . . 83 GLY CA . 52287 1 237 . 1 . 1 83 83 GLY N N 15 108.194 0.01 . . . . . . . 83 GLY N . 52287 1 238 . 1 . 1 84 84 GLY H H 1 8.232 0.00 . . . . . . . 84 GLY H . 52287 1 239 . 1 . 1 84 84 GLY CA C 13 45.184 0.00 . . . . . . . 84 GLY CA . 52287 1 240 . 1 . 1 84 84 GLY N N 15 108.707 0.00 . . . . . . . 84 GLY N . 52287 1 241 . 1 . 1 85 85 ALA H H 1 8.345 0.00 . . . . . . . 85 ALA H . 52287 1 242 . 1 . 1 85 85 ALA CA C 13 52.759 0.02 . . . . . . . 85 ALA CA . 52287 1 243 . 1 . 1 85 85 ALA CB C 13 19.120 0.04 . . . . . . . 85 ALA CB . 52287 1 244 . 1 . 1 85 85 ALA N N 15 123.902 0.01 . . . . . . . 85 ALA N . 52287 1 245 . 1 . 1 86 86 GLY H H 1 8.475 0.00 . . . . . . . 86 GLY H . 52287 1 246 . 1 . 1 86 86 GLY CA C 13 45.337 0.03 . . . . . . . 86 GLY CA . 52287 1 247 . 1 . 1 86 86 GLY N N 15 108.059 0.01 . . . . . . . 86 GLY N . 52287 1 248 . 1 . 1 87 87 GLY H H 1 8.114 0.00 . . . . . . . 87 GLY H . 52287 1 249 . 1 . 1 87 87 GLY CA C 13 44.854 0.05 . . . . . . . 87 GLY CA . 52287 1 250 . 1 . 1 87 87 GLY N N 15 108.121 0.00 . . . . . . . 87 GLY N . 52287 1 251 . 1 . 1 88 88 PHE H H 1 8.191 0.00 . . . . . . . 88 PHE H . 52287 1 252 . 1 . 1 88 88 PHE CA C 13 55.723 0.00 . . . . . . . 88 PHE CA . 52287 1 253 . 1 . 1 88 88 PHE CB C 13 39.056 0.00 . . . . . . . 88 PHE CB . 52287 1 254 . 1 . 1 88 88 PHE N N 15 120.906 0.01 . . . . . . . 88 PHE N . 52287 1 255 . 1 . 1 89 89 PRO CA C 13 63.576 0.03 . . . . . . . 89 PRO CA . 52287 1 256 . 1 . 1 89 89 PRO CB C 13 31.749 0.03 . . . . . . . 89 PRO CB . 52287 1 257 . 1 . 1 90 90 GLY H H 1 8.340 0.00 . . . . . . . 90 GLY H . 52287 1 258 . 1 . 1 90 90 GLY CA C 13 45.312 0.07 . . . . . . . 90 GLY CA . 52287 1 259 . 1 . 1 90 90 GLY N N 15 109.697 0.01 . . . . . . . 90 GLY N . 52287 1 260 . 1 . 1 91 91 GLY H H 1 8.282 0.00 . . . . . . . 91 GLY H . 52287 1 261 . 1 . 1 91 91 GLY CA C 13 45.392 0.00 . . . . . . . 91 GLY CA . 52287 1 262 . 1 . 1 91 91 GLY N N 15 108.563 0.01 . . . . . . . 91 GLY N . 52287 1 263 . 1 . 1 92 92 GLY H H 1 8.274 0.00 . . . . . . . 92 GLY H . 52287 1 264 . 1 . 1 92 92 GLY CA C 13 45.042 0.03 . . . . . . . 92 GLY CA . 52287 1 265 . 1 . 1 92 92 GLY N N 15 108.441 0.01 . . . . . . . 92 GLY N . 52287 1 266 . 1 . 1 93 93 PHE H H 1 8.212 0.00 . . . . . . . 93 PHE H . 52287 1 267 . 1 . 1 93 93 PHE CA C 13 58.065 0.02 . . . . . . . 93 PHE CA . 52287 1 268 . 1 . 1 93 93 PHE CB C 13 39.564 0.04 . . . . . . . 93 PHE CB . 52287 1 269 . 1 . 1 93 93 PHE N N 15 119.509 0.01 . . . . . . . 93 PHE N . 52287 1 270 . 1 . 1 94 94 GLY H H 1 8.397 0.00 . . . . . . . 94 GLY H . 52287 1 271 . 1 . 1 94 94 GLY CA C 13 45.111 0.05 . . . . . . . 94 GLY CA . 52287 1 272 . 1 . 1 94 94 GLY N N 15 110.369 0.02 . . . . . . . 94 GLY N . 52287 1 273 . 1 . 1 95 95 PHE H H 1 8.131 0.00 . . . . . . . 95 PHE H . 52287 1 274 . 1 . 1 95 95 PHE CA C 13 57.978 0.02 . . . . . . . 95 PHE CA . 52287 1 275 . 1 . 1 95 95 PHE CB C 13 39.571 0.04 . . . . . . . 95 PHE CB . 52287 1 276 . 1 . 1 95 95 PHE N N 15 119.631 0.01 . . . . . . . 95 PHE N . 52287 1 277 . 1 . 1 96 96 GLY H H 1 8.475 0.00 . . . . . . . 96 GLY H . 52287 1 278 . 1 . 1 96 96 GLY CA C 13 45.304 0.02 . . . . . . . 96 GLY CA . 52287 1 279 . 1 . 1 96 96 GLY N N 15 110.537 0.01 . . . . . . . 96 GLY N . 52287 1 280 . 1 . 1 97 97 ASP H H 1 8.275 0.00 . . . . . . . 97 ASP H . 52287 1 281 . 1 . 1 97 97 ASP CA C 13 54.786 0.02 . . . . . . . 97 ASP CA . 52287 1 282 . 1 . 1 97 97 ASP CB C 13 41.239 0.04 . . . . . . . 97 ASP CB . 52287 1 283 . 1 . 1 97 97 ASP N N 15 120.460 0.01 . . . . . . . 97 ASP N . 52287 1 284 . 1 . 1 98 98 ASP H H 1 8.434 0.00 . . . . . . . 98 ASP H . 52287 1 285 . 1 . 1 98 98 ASP CA C 13 54.509 0.05 . . . . . . . 98 ASP CA . 52287 1 286 . 1 . 1 98 98 ASP CB C 13 40.944 0.05 . . . . . . . 98 ASP CB . 52287 1 287 . 1 . 1 98 98 ASP N N 15 120.161 0.00 . . . . . . . 98 ASP N . 52287 1 288 . 1 . 1 99 99 ILE H H 1 8.011 0.00 . . . . . . . 99 ILE H . 52287 1 289 . 1 . 1 99 99 ILE CA C 13 62.492 0.04 . . . . . . . 99 ILE CA . 52287 1 290 . 1 . 1 99 99 ILE CB C 13 38.005 0.03 . . . . . . . 99 ILE CB . 52287 1 291 . 1 . 1 99 99 ILE N N 15 120.116 0.00 . . . . . . . 99 ILE N . 52287 1 292 . 1 . 1 100 100 PHE H H 1 8.165 0.00 . . . . . . . 100 PHE H . 52287 1 293 . 1 . 1 100 100 PHE CA C 13 59.124 0.01 . . . . . . . 100 PHE CA . 52287 1 294 . 1 . 1 100 100 PHE CB C 13 38.966 0.04 . . . . . . . 100 PHE CB . 52287 1 295 . 1 . 1 100 100 PHE N N 15 121.034 0.01 . . . . . . . 100 PHE N . 52287 1 296 . 1 . 1 101 101 SER H H 1 8.094 0.00 . . . . . . . 101 SER H . 52287 1 297 . 1 . 1 101 101 SER CA C 13 59.570 0.05 . . . . . . . 101 SER CA . 52287 1 298 . 1 . 1 101 101 SER CB C 13 63.346 0.03 . . . . . . . 101 SER CB . 52287 1 299 . 1 . 1 101 101 SER N N 15 115.871 0.01 . . . . . . . 101 SER N . 52287 1 300 . 1 . 1 102 102 GLN H H 1 8.189 0.00 . . . . . . . 102 GLN H . 52287 1 301 . 1 . 1 102 102 GLN CA C 13 56.772 0.03 . . . . . . . 102 GLN CA . 52287 1 302 . 1 . 1 102 102 GLN CB C 13 28.814 0.05 . . . . . . . 102 GLN CB . 52287 1 303 . 1 . 1 102 102 GLN N N 15 121.067 0.01 . . . . . . . 102 GLN N . 52287 1 304 . 1 . 1 103 103 PHE H H 1 7.975 0.00 . . . . . . . 103 PHE H . 52287 1 305 . 1 . 1 103 103 PHE CA C 13 58.227 0.02 . . . . . . . 103 PHE CA . 52287 1 306 . 1 . 1 103 103 PHE CB C 13 39.512 0.03 . . . . . . . 103 PHE CB . 52287 1 307 . 1 . 1 103 103 PHE N N 15 119.005 0.01 . . . . . . . 103 PHE N . 52287 1 308 . 1 . 1 104 104 PHE H H 1 8.103 0.00 . . . . . . . 104 PHE H . 52287 1 309 . 1 . 1 104 104 PHE CA C 13 57.958 0.02 . . . . . . . 104 PHE CA . 52287 1 310 . 1 . 1 104 104 PHE CB C 13 39.583 0.04 . . . . . . . 104 PHE CB . 52287 1 311 . 1 . 1 104 104 PHE N N 15 119.820 0.01 . . . . . . . 104 PHE N . 52287 1 312 . 1 . 1 105 105 GLY H H 1 8.029 0.00 . . . . . . . 105 GLY H . 52287 1 313 . 1 . 1 105 105 GLY CA C 13 45.228 0.01 . . . . . . . 105 GLY CA . 52287 1 314 . 1 . 1 105 105 GLY N N 15 109.734 0.01 . . . . . . . 105 GLY N . 52287 1 315 . 1 . 1 106 106 ALA H H 1 8.297 0.00 . . . . . . . 106 ALA H . 52287 1 316 . 1 . 1 106 106 ALA CA C 13 52.827 0.02 . . . . . . . 106 ALA CA . 52287 1 317 . 1 . 1 106 106 ALA CB C 13 19.058 0.04 . . . . . . . 106 ALA CB . 52287 1 318 . 1 . 1 106 106 ALA N N 15 123.887 0.01 . . . . . . . 106 ALA N . 52287 1 319 . 1 . 1 107 107 GLY H H 1 8.552 0.00 . . . . . . . 107 GLY H . 52287 1 320 . 1 . 1 107 107 GLY CA C 13 45.461 0.03 . . . . . . . 107 GLY CA . 52287 1 321 . 1 . 1 107 107 GLY N N 15 108.388 0.01 . . . . . . . 107 GLY N . 52287 1 322 . 1 . 1 108 108 GLY H H 1 8.222 0.00 . . . . . . . 108 GLY H . 52287 1 323 . 1 . 1 108 108 GLY CA C 13 45.174 0.01 . . . . . . . 108 GLY CA . 52287 1 324 . 1 . 1 108 108 GLY N N 15 108.793 0.09 . . . . . . . 108 GLY N . 52287 1 325 . 1 . 1 109 109 ALA H H 1 8.190 0.00 . . . . . . . 109 ALA H . 52287 1 326 . 1 . 1 109 109 ALA CA C 13 52.531 0.00 . . . . . . . 109 ALA CA . 52287 1 327 . 1 . 1 109 109 ALA CB C 13 19.201 0.04 . . . . . . . 109 ALA CB . 52287 1 328 . 1 . 1 109 109 ALA N N 15 123.496 0.01 . . . . . . . 109 ALA N . 52287 1 329 . 1 . 1 110 110 GLN H H 1 8.390 0.00 . . . . . . . 110 GLN H . 52287 1 330 . 1 . 1 110 110 GLN CA C 13 55.536 0.00 . . . . . . . 110 GLN CA . 52287 1 331 . 1 . 1 110 110 GLN CB C 13 29.388 0.03 . . . . . . . 110 GLN CB . 52287 1 332 . 1 . 1 110 110 GLN N N 15 119.203 0.00 . . . . . . . 110 GLN N . 52287 1 333 . 1 . 1 111 111 ARG H H 1 8.349 0.00 . . . . . . . 111 ARG H . 52287 1 334 . 1 . 1 111 111 ARG CA C 13 54.021 0.00 . . . . . . . 111 ARG CA . 52287 1 335 . 1 . 1 111 111 ARG CB C 13 30.021 0.00 . . . . . . . 111 ARG CB . 52287 1 336 . 1 . 1 111 111 ARG N N 15 123.662 0.00 . . . . . . . 111 ARG N . 52287 1 337 . 1 . 1 112 112 PRO CA C 13 63.159 0.03 . . . . . . . 112 PRO CA . 52287 1 338 . 1 . 1 112 112 PRO CB C 13 32.093 0.03 . . . . . . . 112 PRO CB . 52287 1 339 . 1 . 1 113 113 ARG H H 1 8.570 0.00 . . . . . . . 113 ARG H . 52287 1 340 . 1 . 1 113 113 ARG CA C 13 56.093 0.02 . . . . . . . 113 ARG CA . 52287 1 341 . 1 . 1 113 113 ARG CB C 13 30.913 0.03 . . . . . . . 113 ARG CB . 52287 1 342 . 1 . 1 113 113 ARG N N 15 121.900 0.00 . . . . . . . 113 ARG N . 52287 1 343 . 1 . 1 114 114 GLY H H 1 8.065 0.00 . . . . . . . 114 GLY H . 52287 1 344 . 1 . 1 114 114 GLY CA C 13 46.042 0.00 . . . . . . . 114 GLY CA . 52287 1 345 . 1 . 1 114 114 GLY N N 15 116.300 0.00 . . . . . . . 114 GLY N . 52287 1 stop_ save_