################################### # 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 50869 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name SOCS2SH2GHRpYF3-CS _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' . . . 50869 1 2 '3D HNCA' . . . 50869 1 3 '3D 1H-15N NOESY' . . . 50869 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 2 $software_2 . . 50869 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 ALA H H 1 7.901 0.01 . 1 . . . . . 34 ALA H . 50869 1 2 . 1 . 1 3 3 ALA CA C 13 52.406 0.2 . 1 . . . . . 34 ALA CA . 50869 1 3 . 1 . 1 3 3 ALA N N 15 120.293 0.1 . 1 . . . . . 34 ALA N . 50869 1 4 . 1 . 1 4 4 ARG H H 1 7.831 0.01 . 1 . . . . . 35 ARG H . 50869 1 5 . 1 . 1 4 4 ARG CA C 13 56.254 0.2 . 1 . . . . . 35 ARG CA . 50869 1 6 . 1 . 1 4 4 ARG N N 15 118.723 0.1 . 1 . . . . . 35 ARG N . 50869 1 7 . 1 . 1 5 5 LEU H H 1 7.207 0.01 . 1 . . . . . 36 LEU H . 50869 1 8 . 1 . 1 5 5 LEU CA C 13 54.869 0.2 . 1 . . . . . 36 LEU CA . 50869 1 9 . 1 . 1 5 5 LEU N N 15 121.633 0.1 . 1 . . . . . 36 LEU N . 50869 1 10 . 1 . 1 6 6 ALA H H 1 8.234 0.01 . 1 . . . . . 37 ALA H . 50869 1 11 . 1 . 1 6 6 ALA CA C 13 53.021 0.2 . 1 . . . . . 37 ALA CA . 50869 1 12 . 1 . 1 6 6 ALA N N 15 120.581 0.1 . 1 . . . . . 37 ALA N . 50869 1 13 . 1 . 1 7 7 LYS H H 1 7.561 0.01 . 1 . . . . . 38 LYS H . 50869 1 14 . 1 . 1 7 7 LYS CA C 13 56.852 0.2 . 1 . . . . . 38 LYS CA . 50869 1 15 . 1 . 1 7 7 LYS N N 15 117.991 0.1 . 1 . . . . . 38 LYS N . 50869 1 16 . 1 . 1 8 8 ALA H H 1 8.044 0.01 . 1 . . . . . 39 ALA H . 50869 1 17 . 1 . 1 8 8 ALA CA C 13 51.598 0.2 . 1 . . . . . 39 ALA CA . 50869 1 18 . 1 . 1 8 8 ALA N N 15 121.545 0.1 . 1 . . . . . 39 ALA N . 50869 1 19 . 1 . 1 9 9 LEU H H 1 8.802 0.01 . 1 . . . . . 40 LEU H . 50869 1 20 . 1 . 1 9 9 LEU CA C 13 54.61 0.2 . 1 . . . . . 40 LEU CA . 50869 1 21 . 1 . 1 9 9 LEU N N 15 119.86 0.1 . 1 . . . . . 40 LEU N . 50869 1 22 . 1 . 1 10 10 ARG H H 1 7.884 0.01 . 1 . . . . . 41 ARG H . 50869 1 23 . 1 . 1 10 10 ARG CA C 13 56.831 0.2 . 1 . . . . . 41 ARG CA . 50869 1 24 . 1 . 1 10 10 ARG N N 15 120.652 0.1 . 1 . . . . . 41 ARG N . 50869 1 25 . 1 . 1 11 11 GLU H H 1 7.724 0.01 . 1 . . . . . 42 GLU H . 50869 1 26 . 1 . 1 11 11 GLU CA C 13 55.985 0.2 . 1 . . . . . 42 GLU CA . 50869 1 27 . 1 . 1 11 11 GLU N N 15 117.899 0.1 . 1 . . . . . 42 GLU N . 50869 1 28 . 1 . 1 12 12 LEU H H 1 7.721 0.01 . 1 . . . . . 43 LEU H . 50869 1 29 . 1 . 1 12 12 LEU CA C 13 54.484 0.2 . 1 . . . . . 43 LEU CA . 50869 1 30 . 1 . 1 12 12 LEU N N 15 120.141 0.1 . 1 . . . . . 43 LEU N . 50869 1 31 . 1 . 1 13 13 GLY H H 1 8.448 0.01 . 1 . . . . . 44 GLY H . 50869 1 32 . 1 . 1 13 13 GLY CA C 13 44.363 0.2 . 1 . . . . . 44 GLY CA . 50869 1 33 . 1 . 1 13 13 GLY N N 15 107.224 0.1 . 1 . . . . . 44 GLY N . 50869 1 34 . 1 . 1 14 14 GLN H H 1 7.057 0.01 . 1 . . . . . 45 GLN H . 50869 1 35 . 1 . 1 14 14 GLN CA C 13 53.137 0.2 . 1 . . . . . 45 GLN CA . 50869 1 36 . 1 . 1 14 14 GLN N N 15 116.022 0.1 . 1 . . . . . 45 GLN N . 50869 1 37 . 1 . 1 15 15 THR H H 1 7.19 0.01 . 1 . . . . . 46 THR H . 50869 1 38 . 1 . 1 15 15 THR CA C 13 61.449 0.2 . 1 . . . . . 46 THR CA . 50869 1 39 . 1 . 1 15 15 THR N N 15 109.208 0.1 . 1 . . . . . 46 THR N . 50869 1 40 . 1 . 1 16 16 GLY H H 1 7.818 0.01 . 1 . . . . . 47 GLY H . 50869 1 41 . 1 . 1 16 16 GLY CA C 13 43.054 0.2 . 1 . . . . . 47 GLY CA . 50869 1 42 . 1 . 1 16 16 GLY N N 15 107.855 0.1 . 1 . . . . . 47 GLY N . 50869 1 43 . 1 . 1 17 17 TRP H H 1 8.043 0.01 . 1 . . . . . 48 TRP H . 50869 1 44 . 1 . 1 17 17 TRP CA C 13 51.79 0.2 . 1 . . . . . 48 TRP CA . 50869 1 45 . 1 . 1 17 17 TRP N N 15 116.192 0.1 . 1 . . . . . 48 TRP N . 50869 1 46 . 1 . 1 18 18 TYR H H 1 7.656 0.01 . 1 . . . . . 49 TYR H . 50869 1 47 . 1 . 1 18 18 TYR CA C 13 53.483 0.2 . 1 . . . . . 49 TYR CA . 50869 1 48 . 1 . 1 18 18 TYR N N 15 117.39 0.1 . 1 . . . . . 49 TYR N . 50869 1 49 . 1 . 1 19 19 TRP H H 1 9.142 0.01 . 1 . . . . . 50 TRP H . 50869 1 50 . 1 . 1 19 19 TRP CA C 13 55.33 0.2 . 1 . . . . . 50 TRP CA . 50869 1 51 . 1 . 1 19 19 TRP N N 15 128.062 0.1 . 1 . . . . . 50 TRP N . 50869 1 52 . 1 . 1 21 21 SER H H 1 8.442 0.01 . 1 . . . . . 52 SER H . 50869 1 53 . 1 . 1 21 21 SER CA C 13 55.523 0.2 . 1 . . . . . 52 SER CA . 50869 1 54 . 1 . 1 21 21 SER N N 15 120.358 0.1 . 1 . . . . . 52 SER N . 50869 1 55 . 1 . 1 22 22 MET H H 1 7.447 0.01 . 1 . . . . . 53 MET H . 50869 1 56 . 1 . 1 22 22 MET CA C 13 53.082 0.2 . 1 . . . . . 53 MET CA . 50869 1 57 . 1 . 1 22 22 MET N N 15 126.765 0.1 . 1 . . . . . 53 MET N . 50869 1 58 . 1 . 1 23 23 THR H H 1 8.68 0.01 . 1 . . . . . 54 THR H . 50869 1 59 . 1 . 1 23 23 THR CA C 13 58.308 0.2 . 1 . . . . . 54 THR CA . 50869 1 60 . 1 . 1 23 23 THR N N 15 117.893 0.1 . 1 . . . . . 54 THR N . 50869 1 61 . 1 . 1 24 24 VAL H H 1 8.757 0.01 . 1 . . . . . 55 VAL H . 50869 1 62 . 1 . 1 24 24 VAL CA C 13 63.373 0.2 . 1 . . . . . 55 VAL CA . 50869 1 63 . 1 . 1 24 24 VAL N N 15 119.889 0.1 . 1 . . . . . 55 VAL N . 50869 1 64 . 1 . 1 25 25 ASN H H 1 8.131 0.01 . 1 . . . . . 56 ASN H . 50869 1 65 . 1 . 1 25 25 ASN CA C 13 53.483 0.2 . 1 . . . . . 56 ASN CA . 50869 1 66 . 1 . 1 25 25 ASN N N 15 117.877 0.1 . 1 . . . . . 56 ASN N . 50869 1 67 . 1 . 1 26 26 GLU H H 1 7.708 0.01 . 1 . . . . . 57 GLU H . 50869 1 68 . 1 . 1 26 26 GLU CA C 13 56.234 0.2 . 1 . . . . . 57 GLU CA . 50869 1 69 . 1 . 1 26 26 GLU N N 15 121.315 0.1 . 1 . . . . . 57 GLU N . 50869 1 70 . 1 . 1 27 27 ALA H H 1 8.25 0.01 . 1 . . . . . 58 ALA H . 50869 1 71 . 1 . 1 27 27 ALA CA C 13 52.861 0.2 . 1 . . . . . 58 ALA CA . 50869 1 72 . 1 . 1 27 27 ALA N N 15 123.758 0.1 . 1 . . . . . 58 ALA N . 50869 1 73 . 1 . 1 28 28 LYS H H 1 7.666 0.01 . 1 . . . . . 59 LYS H . 50869 1 74 . 1 . 1 28 28 LYS CA C 13 57.227 0.2 . 1 . . . . . 59 LYS CA . 50869 1 75 . 1 . 1 28 28 LYS N N 15 116.89 0.1 . 1 . . . . . 59 LYS N . 50869 1 76 . 1 . 1 29 29 GLU H H 1 7.351 0.01 . 1 . . . . . 60 GLU H . 50869 1 77 . 1 . 1 29 29 GLU CA C 13 56.04 0.2 . 1 . . . . . 60 GLU CA . 50869 1 78 . 1 . 1 29 29 GLU N N 15 116.739 0.1 . 1 . . . . . 60 GLU N . 50869 1 79 . 1 . 1 30 30 LYS H H 1 7.717 0.01 . 1 . . . . . 61 LYS H . 50869 1 80 . 1 . 1 30 30 LYS CA C 13 54.522 0.2 . 1 . . . . . 61 LYS CA . 50869 1 81 . 1 . 1 30 30 LYS N N 15 118.192 0.1 . 1 . . . . . 61 LYS N . 50869 1 82 . 1 . 1 31 31 LEU H H 1 7.488 0.01 . 1 . . . . . 62 LEU H . 50869 1 83 . 1 . 1 31 31 LEU CA C 13 51.444 0.2 . 1 . . . . . 62 LEU CA . 50869 1 84 . 1 . 1 31 31 LEU N N 15 114.39 0.1 . 1 . . . . . 62 LEU N . 50869 1 85 . 1 . 1 32 32 LYS H H 1 7.515 0.01 . 1 . . . . . 63 LYS H . 50869 1 86 . 1 . 1 32 32 LYS CA C 13 58.64 0.2 . 1 . . . . . 63 LYS CA . 50869 1 87 . 1 . 1 32 32 LYS N N 15 122.033 0.1 . 1 . . . . . 63 LYS N . 50869 1 88 . 1 . 1 33 33 GLU H H 1 8.616 0.01 . 1 . . . . . 64 GLU H . 50869 1 89 . 1 . 1 33 33 GLU CA C 13 51.982 0.2 . 1 . . . . . 64 GLU CA . 50869 1 90 . 1 . 1 33 33 GLU N N 15 116.81 0.1 . 1 . . . . . 64 GLU N . 50869 1 91 . 1 . 1 34 34 ALA H H 1 7.174 0.01 . 1 . . . . . 65 ALA H . 50869 1 92 . 1 . 1 34 34 ALA CA C 13 47.865 0.2 . 1 . . . . . 65 ALA CA . 50869 1 93 . 1 . 1 34 34 ALA N N 15 123.858 0.1 . 1 . . . . . 65 ALA N . 50869 1 94 . 1 . 1 36 36 GLU H H 1 9.058 0.01 . 1 . . . . . 67 GLU H . 50869 1 95 . 1 . 1 36 36 GLU CA C 13 56.062 0.2 . 1 . . . . . 67 GLU CA . 50869 1 96 . 1 . 1 36 36 GLU N N 15 125.048 0.1 . 1 . . . . . 67 GLU N . 50869 1 97 . 1 . 1 37 37 GLY H H 1 8.75 0.01 . 1 . . . . . 68 GLY H . 50869 1 98 . 1 . 1 37 37 GLY CA C 13 42.323 0.2 . 1 . . . . . 68 GLY CA . 50869 1 99 . 1 . 1 37 37 GLY N N 15 113.23 0.1 . 1 . . . . . 68 GLY N . 50869 1 100 . 1 . 1 38 38 THR H H 1 7.679 0.01 . 1 . . . . . 69 THR H . 50869 1 101 . 1 . 1 38 38 THR CA C 13 61.295 0.2 . 1 . . . . . 69 THR CA . 50869 1 102 . 1 . 1 38 38 THR N N 15 119.047 0.1 . 1 . . . . . 69 THR N . 50869 1 103 . 1 . 1 39 39 PHE H H 1 7.928 0.01 . 1 . . . . . 70 PHE H . 50869 1 104 . 1 . 1 39 39 PHE CA C 13 52.136 0.2 . 1 . . . . . 70 PHE CA . 50869 1 105 . 1 . 1 39 39 PHE N N 15 122.143 0.1 . 1 . . . . . 70 PHE N . 50869 1 106 . 1 . 1 40 40 LEU H H 1 9.194 0.01 . 1 . . . . . 71 LEU H . 50869 1 107 . 1 . 1 40 40 LEU CA C 13 51.35 0.2 . 1 . . . . . 71 LEU CA . 50869 1 108 . 1 . 1 40 40 LEU N N 15 114.615 0.1 . 1 . . . . . 71 LEU N . 50869 1 109 . 1 . 1 41 41 ILE H H 1 8.393 0.01 . 1 . . . . . 72 ILE H . 50869 1 110 . 1 . 1 41 41 ILE CA C 13 56.831 0.2 . 1 . . . . . 72 ILE CA . 50869 1 111 . 1 . 1 41 41 ILE N N 15 119.333 0.1 . 1 . . . . . 72 ILE N . 50869 1 112 . 1 . 1 42 42 ARG H H 1 9.333 0.01 . 1 . . . . . 73 ARG H . 50869 1 113 . 1 . 1 42 42 ARG CA C 13 50.713 0.2 . 1 . . . . . 73 ARG CA . 50869 1 114 . 1 . 1 42 42 ARG N N 15 124.361 0.1 . 1 . . . . . 73 ARG N . 50869 1 115 . 1 . 1 43 43 ASP H H 1 8.788 0.01 . 1 . . . . . 74 ASP H . 50869 1 116 . 1 . 1 43 43 ASP CA C 13 52.266 0.2 . 1 . . . . . 74 ASP CA . 50869 1 117 . 1 . 1 43 43 ASP N N 15 122.112 0.1 . 1 . . . . . 74 ASP N . 50869 1 118 . 1 . 1 44 44 SER H H 1 7.679 0.01 . 1 . . . . . 75 SER H . 50869 1 119 . 1 . 1 44 44 SER CA C 13 55.407 0.2 . 1 . . . . . 75 SER CA . 50869 1 120 . 1 . 1 44 44 SER N N 15 115.83 0.1 . 1 . . . . . 75 SER N . 50869 1 121 . 1 . 1 46 46 HIS H H 1 9.022 0.01 . 1 . . . . . 77 HIS H . 50869 1 122 . 1 . 1 46 46 HIS CA C 13 54.946 0.2 . 1 . . . . . 77 HIS CA . 50869 1 123 . 1 . 1 46 46 HIS N N 15 128.377 0.1 . 1 . . . . . 77 HIS N . 50869 1 124 . 1 . 1 47 47 SER H H 1 8.455 0.01 . 1 . . . . . 78 SER H . 50869 1 125 . 1 . 1 47 47 SER CA C 13 59.294 0.2 . 1 . . . . . 78 SER CA . 50869 1 126 . 1 . 1 47 47 SER N N 15 124.763 0.1 . 1 . . . . . 78 SER N . 50869 1 127 . 1 . 1 49 49 TYR H H 1 7.515 0.01 . 1 . . . . . 80 TYR H . 50869 1 128 . 1 . 1 49 49 TYR CA C 13 54.113 0.2 . 1 . . . . . 80 TYR CA . 50869 1 129 . 1 . 1 49 49 TYR N N 15 115.839 0.1 . 1 . . . . . 80 TYR N . 50869 1 130 . 1 . 1 50 50 LEU H H 1 10.26 0.01 . 1 . . . . . 81 LEU H . 50869 1 131 . 1 . 1 50 50 LEU CA C 13 53.329 0.2 . 1 . . . . . 81 LEU CA . 50869 1 132 . 1 . 1 50 50 LEU N N 15 115.84 0.1 . 1 . . . . . 81 LEU N . 50869 1 133 . 1 . 1 51 51 LEU H H 1 6.968 0.01 . 1 . . . . . 82 LEU H . 50869 1 134 . 1 . 1 51 51 LEU CA C 13 51.097 0.2 . 1 . . . . . 82 LEU CA . 50869 1 135 . 1 . 1 51 51 LEU N N 15 117.591 0.1 . 1 . . . . . 82 LEU N . 50869 1 136 . 1 . 1 52 52 THR H H 1 9.236 0.01 . 1 . . . . . 83 THR H . 50869 1 137 . 1 . 1 52 52 THR CA C 13 59.717 0.2 . 1 . . . . . 83 THR CA . 50869 1 138 . 1 . 1 52 52 THR N N 15 117.437 0.1 . 1 . . . . . 83 THR N . 50869 1 139 . 1 . 1 53 53 ILE H H 1 9.369 0.01 . 1 . . . . . 84 ILE H . 50869 1 140 . 1 . 1 53 53 ILE CA C 13 57.445 0.2 . 1 . . . . . 84 ILE CA . 50869 1 141 . 1 . 1 53 53 ILE N N 15 125.186 0.1 . 1 . . . . . 84 ILE N . 50869 1 142 . 1 . 1 54 54 SER H H 1 8.861 0.01 . 1 . . . . . 85 SER H . 50869 1 143 . 1 . 1 54 54 SER CA C 13 55.523 0.2 . 1 . . . . . 85 SER CA . 50869 1 144 . 1 . 1 54 54 SER N N 15 126.13 0.1 . 1 . . . . . 85 SER N . 50869 1 145 . 1 . 1 55 55 VAL H H 1 8.736 0.01 . 1 . . . . . 86 VAL H . 50869 1 146 . 1 . 1 55 55 VAL CA C 13 55.446 0.2 . 1 . . . . . 86 VAL CA . 50869 1 147 . 1 . 1 55 55 VAL N N 15 121.328 0.1 . 1 . . . . . 86 VAL N . 50869 1 148 . 1 . 1 56 56 LYS H H 1 8.811 0.01 . 1 . . . . . 87 LYS H . 50869 1 149 . 1 . 1 56 56 LYS CA C 13 52.406 0.2 . 1 . . . . . 87 LYS CA . 50869 1 150 . 1 . 1 56 56 LYS N N 15 126.759 0.1 . 1 . . . . . 87 LYS N . 50869 1 151 . 1 . 1 57 57 THR H H 1 7.506 0.01 . 1 . . . . . 88 THR H . 50869 1 152 . 1 . 1 57 57 THR CA C 13 57.832 0.2 . 1 . . . . . 88 THR CA . 50869 1 153 . 1 . 1 57 57 THR N N 15 123.483 0.1 . 1 . . . . . 88 THR N . 50869 1 154 . 1 . 1 59 59 ALA H H 1 7.953 0.01 . 1 . . . . . 90 ALA H . 50869 1 155 . 1 . 1 59 59 ALA CA C 13 48.558 0.2 . 1 . . . . . 90 ALA CA . 50869 1 156 . 1 . 1 59 59 ALA N N 15 123.274 0.1 . 1 . . . . . 90 ALA N . 50869 1 157 . 1 . 1 60 60 GLY H H 1 7.305 0.01 . 1 . . . . . 91 GLY H . 50869 1 158 . 1 . 1 60 60 GLY CA C 13 40.861 0.2 . 1 . . . . . 91 GLY CA . 50869 1 159 . 1 . 1 60 60 GLY N N 15 106.321 0.1 . 1 . . . . . 91 GLY N . 50869 1 160 . 1 . 1 62 62 THR H H 1 9.061 0.01 . 1 . . . . . 93 THR H . 50869 1 161 . 1 . 1 62 62 THR CA C 13 58.178 0.2 . 1 . . . . . 93 THR CA . 50869 1 162 . 1 . 1 62 62 THR N N 15 119.632 0.1 . 1 . . . . . 93 THR N . 50869 1 163 . 1 . 1 63 63 ASN H H 1 8.016 0.01 . 1 . . . . . 94 ASN H . 50869 1 164 . 1 . 1 63 63 ASN CA C 13 50.02 0.2 . 1 . . . . . 94 ASN CA . 50869 1 165 . 1 . 1 63 63 ASN N N 15 119.907 0.1 . 1 . . . . . 94 ASN N . 50869 1 166 . 1 . 1 64 64 LEU H H 1 9.347 0.01 . 1 . . . . . 95 LEU H . 50869 1 167 . 1 . 1 64 64 LEU CA C 13 50.058 0.2 . 1 . . . . . 95 LEU CA . 50869 1 168 . 1 . 1 64 64 LEU N N 15 122.779 0.1 . 1 . . . . . 95 LEU N . 50869 1 169 . 1 . 1 66 66 ILE H H 1 8.463 0.01 . 1 . . . . . 97 ILE H . 50869 1 170 . 1 . 1 66 66 ILE CA C 13 57.832 0.2 . 1 . . . . . 97 ILE CA . 50869 1 171 . 1 . 1 66 66 ILE N N 15 118.826 0.1 . 1 . . . . . 97 ILE N . 50869 1 172 . 1 . 1 67 67 GLU H H 1 9.445 0.01 . 1 . . . . . 98 GLU H . 50869 1 173 . 1 . 1 67 67 GLU CA C 13 52.637 0.2 . 1 . . . . . 98 GLU CA . 50869 1 174 . 1 . 1 67 67 GLU N N 15 127.411 0.1 . 1 . . . . . 98 GLU N . 50869 1 175 . 1 . 1 69 69 GLN H H 1 8.465 0.01 . 1 . . . . . 100 GLN H . 50869 1 176 . 1 . 1 69 69 GLN CA C 13 52.093 0.2 . 1 . . . . . 100 GLN CA . 50869 1 177 . 1 . 1 69 69 GLN N N 15 126.032 0.1 . 1 . . . . . 100 GLN N . 50869 1 178 . 1 . 1 71 71 GLY H H 1 8.262 0.01 . 1 . . . . . 102 GLY H . 50869 1 179 . 1 . 1 71 71 GLY CA C 13 42.51 0.2 . 1 . . . . . 102 GLY CA . 50869 1 180 . 1 . 1 71 71 GLY N N 15 102.57 0.1 . 1 . . . . . 102 GLY N . 50869 1 181 . 1 . 1 72 72 LYS H H 1 7.209 0.01 . 1 . . . . . 103 LYS H . 50869 1 182 . 1 . 1 72 72 LYS CA C 13 50.54 0.2 . 1 . . . . . 103 LYS CA . 50869 1 183 . 1 . 1 72 72 LYS N N 15 117.127 0.1 . 1 . . . . . 103 LYS N . 50869 1 184 . 1 . 1 73 73 PHE H H 1 9.661 0.01 . 1 . . . . . 104 PHE H . 50869 1 185 . 1 . 1 73 73 PHE CA C 13 54.099 0.2 . 1 . . . . . 104 PHE CA . 50869 1 186 . 1 . 1 73 73 PHE N N 15 119.651 0.1 . 1 . . . . . 104 PHE N . 50869 1 187 . 1 . 1 74 74 ARG H H 1 8.911 0.01 . 1 . . . . . 105 ARG H . 50869 1 188 . 1 . 1 74 74 ARG CA C 13 52.38 0.2 . 1 . . . . . 105 ARG CA . 50869 1 189 . 1 . 1 74 74 ARG N N 15 117.309 0.1 . 1 . . . . . 105 ARG N . 50869 1 190 . 1 . 1 90 90 SER H H 1 7.426 0.01 . 1 . . . . . 121 SER H . 50869 1 191 . 1 . 1 90 90 SER CA C 13 53.271 0.2 . 1 . . . . . 121 SER CA . 50869 1 192 . 1 . 1 90 90 SER N N 15 111.562 0.1 . 1 . . . . . 121 SER N . 50869 1 193 . 1 . 1 91 91 VAL H H 1 7.512 0.01 . 1 . . . . . 122 VAL H . 50869 1 194 . 1 . 1 91 91 VAL CA C 13 62.411 0.2 . 1 . . . . . 122 VAL CA . 50869 1 195 . 1 . 1 91 91 VAL N N 15 123.854 0.1 . 1 . . . . . 122 VAL N . 50869 1 196 . 1 . 1 92 92 VAL H H 1 7.415 0.01 . 1 . . . . . 123 VAL H . 50869 1 197 . 1 . 1 92 92 VAL CA C 13 64.451 0.2 . 1 . . . . . 123 VAL CA . 50869 1 198 . 1 . 1 92 92 VAL N N 15 120.045 0.1 . 1 . . . . . 123 VAL N . 50869 1 199 . 1 . 1 93 93 HIS H H 1 7.627 0.01 . 1 . . . . . 124 HIS H . 50869 1 200 . 1 . 1 93 93 HIS CA C 13 55.138 0.2 . 1 . . . . . 124 HIS CA . 50869 1 201 . 1 . 1 93 93 HIS N N 15 116.167 0.1 . 1 . . . . . 124 HIS N . 50869 1 202 . 1 . 1 94 94 LEU H H 1 6.752 0.01 . 1 . . . . . 125 LEU H . 50869 1 203 . 1 . 1 94 94 LEU CA C 13 55.762 0.2 . 1 . . . . . 125 LEU CA . 50869 1 204 . 1 . 1 94 94 LEU N N 15 121.301 0.1 . 1 . . . . . 125 LEU N . 50869 1 205 . 1 . 1 95 95 ILE H H 1 7.775 0.01 . 1 . . . . . 126 ILE H . 50869 1 206 . 1 . 1 95 95 ILE CA C 13 59.487 0.2 . 1 . . . . . 126 ILE CA . 50869 1 207 . 1 . 1 95 95 ILE N N 15 118.769 0.1 . 1 . . . . . 126 ILE N . 50869 1 208 . 1 . 1 96 96 ASP H H 1 8.639 0.01 . 1 . . . . . 127 ASP H . 50869 1 209 . 1 . 1 96 96 ASP CA C 13 54.766 0.2 . 1 . . . . . 127 ASP CA . 50869 1 210 . 1 . 1 96 96 ASP N N 15 117.993 0.1 . 1 . . . . . 127 ASP N . 50869 1 211 . 1 . 1 97 97 TYR H H 1 7.762 0.01 . 1 . . . . . 128 TYR H . 50869 1 212 . 1 . 1 97 97 TYR CA C 13 59.294 0.2 . 1 . . . . . 128 TYR CA . 50869 1 213 . 1 . 1 97 97 TYR N N 15 118.885 0.1 . 1 . . . . . 128 TYR N . 50869 1 214 . 1 . 1 98 98 TYR H H 1 7.484 0.01 . 1 . . . . . 129 TYR H . 50869 1 215 . 1 . 1 98 98 TYR CA C 13 60.78 0.2 . 1 . . . . . 129 TYR CA . 50869 1 216 . 1 . 1 98 98 TYR N N 15 117.953 0.1 . 1 . . . . . 129 TYR N . 50869 1 217 . 1 . 1 99 99 VAL H H 1 8.842 0.01 . 1 . . . . . 130 VAL H . 50869 1 218 . 1 . 1 99 99 VAL CA C 13 63.874 0.2 . 1 . . . . . 130 VAL CA . 50869 1 219 . 1 . 1 99 99 VAL N N 15 122.554 0.1 . 1 . . . . . 130 VAL N . 50869 1 220 . 1 . 1 100 100 GLN H H 1 8.003 0.01 . 1 . . . . . 131 GLN H . 50869 1 221 . 1 . 1 100 100 GLN CA C 13 55.995 0.2 . 1 . . . . . 131 GLN CA . 50869 1 222 . 1 . 1 100 100 GLN N N 15 118.76 0.1 . 1 . . . . . 131 GLN N . 50869 1 223 . 1 . 1 101 101 MET H H 1 7.867 0.01 . 1 . . . . . 132 MET H . 50869 1 224 . 1 . 1 101 101 MET CA C 13 55.369 0.2 . 1 . . . . . 132 MET CA . 50869 1 225 . 1 . 1 101 101 MET N N 15 118.369 0.1 . 1 . . . . . 132 MET N . 50869 1 226 . 1 . 1 102 102 CYS H H 1 7.737 0.01 . 1 . . . . . 133 CYS H . 50869 1 227 . 1 . 1 102 102 CYS CA C 13 58.755 0.2 . 1 . . . . . 133 CYS CA . 50869 1 228 . 1 . 1 102 102 CYS N N 15 115.301 0.1 . 1 . . . . . 133 CYS N . 50869 1 229 . 1 . 1 103 103 LYS H H 1 7.591 0.01 . 1 . . . . . 134 LYS H . 50869 1 230 . 1 . 1 103 103 LYS CA C 13 56.062 0.2 . 1 . . . . . 134 LYS CA . 50869 1 231 . 1 . 1 103 103 LYS N N 15 120.625 0.1 . 1 . . . . . 134 LYS N . 50869 1 232 . 1 . 1 104 104 ASP H H 1 7.986 0.01 . 1 . . . . . 135 ASP H . 50869 1 233 . 1 . 1 104 104 ASP CA C 13 52.175 0.2 . 1 . . . . . 135 ASP CA . 50869 1 234 . 1 . 1 104 104 ASP N N 15 118.346 0.1 . 1 . . . . . 135 ASP N . 50869 1 235 . 1 . 1 105 105 LYS H H 1 7.763 0.01 . 1 . . . . . 136 LYS H . 50869 1 236 . 1 . 1 105 105 LYS CA C 13 53.83 0.2 . 1 . . . . . 136 LYS CA . 50869 1 237 . 1 . 1 105 105 LYS N N 15 120.114 0.1 . 1 . . . . . 136 LYS N . 50869 1 238 . 1 . 1 106 106 ARG H H 1 8.229 0.01 . 1 . . . . . 137 ARG H . 50869 1 239 . 1 . 1 106 106 ARG CA C 13 53.83 0.2 . 1 . . . . . 137 ARG CA . 50869 1 240 . 1 . 1 106 106 ARG N N 15 121.058 0.1 . 1 . . . . . 137 ARG N . 50869 1 241 . 1 . 1 107 107 THR H H 1 7.938 0.01 . 1 . . . . . 138 THR H . 50869 1 242 . 1 . 1 107 107 THR CA C 13 58.615 0.2 . 1 . . . . . 138 THR CA . 50869 1 243 . 1 . 1 107 107 THR N N 15 112.769 0.1 . 1 . . . . . 138 THR N . 50869 1 244 . 1 . 1 108 108 GLY H H 1 8.111 0.01 . 1 . . . . . 139 GLY H . 50869 1 245 . 1 . 1 108 108 GLY CA C 13 41.823 0.2 . 1 . . . . . 139 GLY CA . 50869 1 246 . 1 . 1 108 108 GLY N N 15 110.646 0.1 . 1 . . . . . 139 GLY N . 50869 1 247 . 1 . 1 110 110 GLU H H 1 8.302 0.01 . 1 . . . . . 141 GLU H . 50869 1 248 . 1 . 1 110 110 GLU CA C 13 53.406 0.2 . 1 . . . . . 141 GLU CA . 50869 1 249 . 1 . 1 110 110 GLU N N 15 120.246 0.1 . 1 . . . . . 141 GLU N . 50869 1 250 . 1 . 1 111 111 ALA H H 1 8.119 0.01 . 1 . . . . . 142 ALA H . 50869 1 251 . 1 . 1 111 111 ALA CA C 13 47.873 0.2 . 1 . . . . . 142 ALA CA . 50869 1 252 . 1 . 1 111 111 ALA N N 15 126.374 0.1 . 1 . . . . . 142 ALA N . 50869 1 253 . 1 . 1 115 115 GLY H H 1 8.446 0.01 . 1 . . . . . 146 GLY H . 50869 1 254 . 1 . 1 115 115 GLY CA C 13 42.901 0.2 . 1 . . . . . 146 GLY CA . 50869 1 255 . 1 . 1 115 115 GLY N N 15 108.535 0.1 . 1 . . . . . 146 GLY N . 50869 1 256 . 1 . 1 116 116 THR H H 1 7.681 0.01 . 1 . . . . . 147 THR H . 50869 1 257 . 1 . 1 116 116 THR CA C 13 59.179 0.2 . 1 . . . . . 147 THR CA . 50869 1 258 . 1 . 1 116 116 THR N N 15 114.527 0.1 . 1 . . . . . 147 THR N . 50869 1 259 . 1 . 1 121 121 LEU H H 1 7.236 0.01 . 1 . . . . . 152 LEU H . 50869 1 260 . 1 . 1 121 121 LEU CA C 13 50.366 0.2 . 1 . . . . . 152 LEU CA . 50869 1 261 . 1 . 1 121 121 LEU N N 15 127.422 0.1 . 1 . . . . . 152 LEU N . 50869 1 262 . 1 . 1 122 122 THR H H 1 8.875 0.01 . 1 . . . . . 153 THR H . 50869 1 263 . 1 . 1 122 122 THR CA C 13 58.217 0.2 . 1 . . . . . 153 THR CA . 50869 1 264 . 1 . 1 122 122 THR N N 15 110.5 0.1 . 1 . . . . . 153 THR N . 50869 1 265 . 1 . 1 123 123 LYS H H 1 7.58 0.01 . 1 . . . . . 154 LYS H . 50869 1 266 . 1 . 1 123 123 LYS CA C 13 50 0.2 . 1 . . . . . 154 LYS CA . 50869 1 267 . 1 . 1 123 123 LYS N N 15 121.398 0.1 . 1 . . . . . 154 LYS N . 50869 1 268 . 1 . 1 125 125 LEU H H 1 7.986 0.01 . 1 . . . . . 156 LEU H . 50869 1 269 . 1 . 1 125 125 LEU CA C 13 50.789 0.2 . 1 . . . . . 156 LEU CA . 50869 1 270 . 1 . 1 125 125 LEU N N 15 122.174 0.1 . 1 . . . . . 156 LEU N . 50869 1 271 . 1 . 1 126 126 TYR H H 1 8.119 0.01 . 1 . . . . . 157 TYR H . 50869 1 272 . 1 . 1 126 126 TYR CA C 13 55.998 0.2 . 1 . . . . . 157 TYR CA . 50869 1 273 . 1 . 1 126 126 TYR N N 15 124.5 0.1 . 1 . . . . . 157 TYR N . 50869 1 274 . 1 . 1 127 127 THR H H 1 8.609 0.01 . 1 . . . . . 158 THR H . 50869 1 275 . 1 . 1 127 127 THR CA C 13 58.981 0.2 . 1 . . . . . 158 THR CA . 50869 1 276 . 1 . 1 127 127 THR N N 15 113.412 0.1 . 1 . . . . . 158 THR N . 50869 1 277 . 1 . 1 128 128 SER H H 1 7.483 0.01 . 1 . . . . . 159 SER H . 50869 1 278 . 1 . 1 128 128 SER CA C 13 57.101 0.2 . 1 . . . . . 159 SER CA . 50869 1 279 . 1 . 1 128 128 SER N N 15 120.997 0.1 . 1 . . . . . 159 SER N . 50869 1 stop_ save_