################################### # 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 52208 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name Free_protein_partial_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 0.02 _Assigned_chem_shift_list.Chem_shift_13C_err 0.1 _Assigned_chem_shift_list.Chem_shift_15N_err 0.1 _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' . . . 52208 1 2 '2D 1H-13C HSQC' . . . 52208 1 3 '3D CBCANH' . . . 52208 1 4 '3D CBCA(CO)NH' . . . 52208 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 . . 52208 1 2 $software_2 . . 52208 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 6 6 LYS H H 1 8.467 0.02 . 1 . . . . . 6 LYS HN . 52208 1 2 . 1 . 1 6 6 LYS N N 15 122.693 0.10 . 1 . . . . . 6 LYS N . 52208 1 3 . 1 . 1 8 8 PRO CA C 13 62.471 0.10 . 1 . . . . . 8 PRO CA . 52208 1 4 . 1 . 1 8 8 PRO CB C 13 32.254 0.10 . 1 . . . . . 8 PRO CB . 52208 1 5 . 1 . 1 9 9 LEU H H 1 8.022 0.02 . 1 . . . . . 9 LEU HN . 52208 1 6 . 1 . 1 9 9 LEU CA C 13 54.877 0.10 . 1 . . . . . 9 LEU CA . 52208 1 7 . 1 . 1 9 9 LEU CB C 13 43.791 0.10 . 1 . . . . . 9 LEU CB . 52208 1 8 . 1 . 1 9 9 LEU N N 15 121.775 0.10 . 1 . . . . . 9 LEU N . 52208 1 9 . 1 . 1 10 10 SER H H 1 7.966 0.02 . 1 . . . . . 10 SER HN . 52208 1 10 . 1 . 1 10 10 SER CA C 13 57.145 0.10 . 1 . . . . . 10 SER CA . 52208 1 11 . 1 . 1 10 10 SER CB C 13 66.003 0.10 . 1 . . . . . 10 SER CB . 52208 1 12 . 1 . 1 10 10 SER N N 15 114.871 0.10 . 1 . . . . . 10 SER N . 52208 1 13 . 1 . 1 11 11 ALA H H 1 8.948 0.02 . 1 . . . . . 11 ALA HN . 52208 1 14 . 1 . 1 11 11 ALA CA C 13 56.652 0.10 . 1 . . . . . 11 ALA CA . 52208 1 15 . 1 . 1 11 11 ALA CB C 13 18.913 0.10 . 1 . . . . . 11 ALA CB . 52208 1 16 . 1 . 1 11 11 ALA N N 15 122.298 0.10 . 1 . . . . . 11 ALA N . 52208 1 17 . 1 . 1 12 12 PHE H H 1 8.150 0.02 . 1 . . . . . 12 PHE HN . 52208 1 18 . 1 . 1 12 12 PHE CA C 13 59.622 0.10 . 1 . . . . . 12 PHE CA . 52208 1 19 . 1 . 1 12 12 PHE CB C 13 39.330 0.10 . 1 . . . . . 12 PHE CB . 52208 1 20 . 1 . 1 12 12 PHE N N 15 114.859 0.10 . 1 . . . . . 12 PHE N . 52208 1 21 . 1 . 1 13 13 MET H H 1 7.438 0.02 . 1 . . . . . 13 MET HN . 52208 1 22 . 1 . 1 13 13 MET CA C 13 57.037 0.10 . 1 . . . . . 13 MET CA . 52208 1 23 . 1 . 1 13 13 MET CB C 13 31.864 0.10 . 1 . . . . . 13 MET CB . 52208 1 24 . 1 . 1 13 13 MET N N 15 116.857 0.10 . 1 . . . . . 13 MET N . 52208 1 25 . 1 . 1 14 14 LEU H H 1 8.520 0.02 . 1 . . . . . 14 LEU HN . 52208 1 26 . 1 . 1 14 14 LEU CA C 13 58.523 0.10 . 1 . . . . . 14 LEU CA . 52208 1 27 . 1 . 1 14 14 LEU CB C 13 42.908 0.10 . 1 . . . . . 14 LEU CB . 52208 1 28 . 1 . 1 14 14 LEU N N 15 120.818 0.10 . 1 . . . . . 14 LEU N . 52208 1 29 . 1 . 1 15 15 TRP H H 1 8.000 0.02 . 1 . . . . . 15 TRP HN . 52208 1 30 . 1 . 1 15 15 TRP CA C 13 61.640 0.10 . 1 . . . . . 15 TRP CA . 52208 1 31 . 1 . 1 15 15 TRP N N 15 122.297 0.10 . 1 . . . . . 15 TRP N . 52208 1 32 . 1 . 1 16 16 LEU H H 1 8.981 0.02 . 1 . . . . . 16 LEU HN . 52208 1 33 . 1 . 1 16 16 LEU CA C 13 57.714 0.10 . 1 . . . . . 16 LEU CA . 52208 1 34 . 1 . 1 16 16 LEU CB C 13 40.506 0.10 . 1 . . . . . 16 LEU CB . 52208 1 35 . 1 . 1 16 16 LEU N N 15 123.081 0.10 . 1 . . . . . 16 LEU N . 52208 1 36 . 1 . 1 17 17 ASN H H 1 7.812 0.02 . 1 . . . . . 17 ASN HN . 52208 1 37 . 1 . 1 17 17 ASN CA C 13 55.845 0.10 . 1 . . . . . 17 ASN CA . 52208 1 38 . 1 . 1 17 17 ASN CB C 13 37.672 0.10 . 1 . . . . . 17 ASN CB . 52208 1 39 . 1 . 1 17 17 ASN N N 15 114.827 0.10 . 1 . . . . . 17 ASN N . 52208 1 40 . 1 . 1 18 18 SER H H 1 7.171 0.02 . 1 . . . . . 18 SER HN . 52208 1 41 . 1 . 1 18 18 SER CA C 13 60.714 0.10 . 1 . . . . . 18 SER CA . 52208 1 42 . 1 . 1 18 18 SER CB C 13 64.029 0.10 . 1 . . . . . 18 SER CB . 52208 1 43 . 1 . 1 18 18 SER N N 15 116.227 0.10 . 1 . . . . . 18 SER N . 52208 1 44 . 1 . 1 19 19 ALA H H 1 7.400 0.02 . 1 . . . . . 19 ALA HN . 52208 1 45 . 1 . 1 19 19 ALA CA C 13 52.940 0.10 . 1 . . . . . 19 ALA CA . 52208 1 46 . 1 . 1 19 19 ALA CB C 13 20.067 0.10 . 1 . . . . . 19 ALA CB . 52208 1 47 . 1 . 1 19 19 ALA N N 15 124.261 0.10 . 1 . . . . . 19 ALA N . 52208 1 48 . 1 . 1 20 20 ARG H H 1 7.705 0.02 . 1 . . . . . 20 ARG HN . 52208 1 49 . 1 . 1 20 20 ARG CA C 13 61.654 0.10 . 1 . . . . . 20 ARG CA . 52208 1 50 . 1 . 1 20 20 ARG CB C 13 30.593 0.10 . 1 . . . . . 20 ARG CB . 52208 1 51 . 1 . 1 20 20 ARG N N 15 119.749 0.10 . 1 . . . . . 20 ARG N . 52208 1 52 . 1 . 1 21 21 GLU H H 1 8.392 0.02 . 1 . . . . . 21 GLU HN . 52208 1 53 . 1 . 1 21 21 GLU CA C 13 59.958 0.10 . 1 . . . . . 21 GLU CA . 52208 1 54 . 1 . 1 21 21 GLU CB C 13 28.973 0.10 . 1 . . . . . 21 GLU CB . 52208 1 55 . 1 . 1 21 21 GLU N N 15 116.778 0.10 . 1 . . . . . 21 GLU N . 52208 1 56 . 1 . 1 22 22 SER H H 1 8.050 0.02 . 1 . . . . . 22 SER HN . 52208 1 57 . 1 . 1 22 22 SER CA C 13 62.163 0.10 . 1 . . . . . 22 SER CA . 52208 1 58 . 1 . 1 22 22 SER CB C 13 62.986 0.10 . 1 . . . . . 22 SER CB . 52208 1 59 . 1 . 1 22 22 SER N N 15 117.219 0.10 . 1 . . . . . 22 SER N . 52208 1 60 . 1 . 1 23 23 ILE H H 1 8.096 0.02 . 1 . . . . . 23 ILE HN . 52208 1 61 . 1 . 1 23 23 ILE CA C 13 65.978 0.10 . 1 . . . . . 23 ILE CA . 52208 1 62 . 1 . 1 23 23 ILE CB C 13 38.767 0.10 . 1 . . . . . 23 ILE CB . 52208 1 63 . 1 . 1 23 23 ILE N N 15 122.945 0.10 . 1 . . . . . 23 ILE N . 52208 1 64 . 1 . 1 24 24 LYS H H 1 7.978 0.02 . 1 . . . . . 24 LYS HN . 52208 1 65 . 1 . 1 24 24 LYS CA C 13 60.059 0.10 . 1 . . . . . 24 LYS CA . 52208 1 66 . 1 . 1 24 24 LYS CB C 13 32.577 0.10 . 1 . . . . . 24 LYS CB . 52208 1 67 . 1 . 1 24 24 LYS N N 15 118.576 0.10 . 1 . . . . . 24 LYS N . 52208 1 68 . 1 . 1 25 25 ARG H H 1 7.932 0.02 . 1 . . . . . 25 ARG HN . 52208 1 69 . 1 . 1 25 25 ARG CA C 13 59.336 0.10 . 1 . . . . . 25 ARG CA . 52208 1 70 . 1 . 1 25 25 ARG CB C 13 30.726 0.10 . 1 . . . . . 25 ARG CB . 52208 1 71 . 1 . 1 25 25 ARG N N 15 118.364 0.10 . 1 . . . . . 25 ARG N . 52208 1 72 . 1 . 1 26 26 GLU H H 1 7.805 0.02 . 1 . . . . . 26 GLU HN . 52208 1 73 . 1 . 1 26 26 GLU CA C 13 57.552 0.10 . 1 . . . . . 26 GLU CA . 52208 1 74 . 1 . 1 26 26 GLU CB C 13 30.741 0.10 . 1 . . . . . 26 GLU CB . 52208 1 75 . 1 . 1 26 26 GLU N N 15 114.914 0.10 . 1 . . . . . 26 GLU N . 52208 1 76 . 1 . 1 27 27 ASN H H 1 7.273 0.02 . 1 . . . . . 27 ASN HN . 52208 1 77 . 1 . 1 27 27 ASN CA C 13 51.296 0.10 . 1 . . . . . 27 ASN CA . 52208 1 78 . 1 . 1 27 27 ASN CB C 13 40.969 0.10 . 1 . . . . . 27 ASN CB . 52208 1 79 . 1 . 1 27 27 ASN N N 15 116.492 0.10 . 1 . . . . . 27 ASN N . 52208 1 80 . 1 . 1 28 28 PRO CA C 13 64.562 0.10 . 1 . . . . . 28 PRO CA . 52208 1 81 . 1 . 1 28 28 PRO CB C 13 31.937 0.10 . 1 . . . . . 28 PRO CB . 52208 1 82 . 1 . 1 29 29 GLY H H 1 8.702 0.02 . 1 . . . . . 29 GLY HN . 52208 1 83 . 1 . 1 29 29 GLY CA C 13 45.657 0.10 . 1 . . . . . 29 GLY CA . 52208 1 84 . 1 . 1 29 29 GLY N N 15 110.975 0.10 . 1 . . . . . 29 GLY N . 52208 1 85 . 1 . 1 30 30 ILE H H 1 7.783 0.02 . 1 . . . . . 30 ILE HN . 52208 1 86 . 1 . 1 30 30 ILE CA C 13 62.473 0.10 . 1 . . . . . 30 ILE CA . 52208 1 87 . 1 . 1 30 30 ILE CB C 13 38.774 0.10 . 1 . . . . . 30 ILE CB . 52208 1 88 . 1 . 1 30 30 ILE N N 15 120.800 0.10 . 1 . . . . . 30 ILE N . 52208 1 89 . 1 . 1 31 31 LYS H H 1 8.571 0.02 . 1 . . . . . 31 LYS HN . 52208 1 90 . 1 . 1 31 31 LYS CA C 13 56.272 0.10 . 1 . . . . . 31 LYS CA . 52208 1 91 . 1 . 1 31 31 LYS CB C 13 34.239 0.10 . 1 . . . . . 31 LYS CB . 52208 1 92 . 1 . 1 31 31 LYS N N 15 125.693 0.10 . 1 . . . . . 31 LYS N . 52208 1 93 . 1 . 1 32 32 VAL H H 1 8.758 0.02 . 1 . . . . . 32 VAL HN . 52208 1 94 . 1 . 1 32 32 VAL CA C 13 66.823 0.10 . 1 . . . . . 32 VAL CA . 52208 1 95 . 1 . 1 32 32 VAL CB C 13 31.969 0.10 . 1 . . . . . 32 VAL CB . 52208 1 96 . 1 . 1 32 32 VAL N N 15 121.076 0.10 . 1 . . . . . 32 VAL N . 52208 1 97 . 1 . 1 33 33 THR H H 1 7.549 0.02 . 1 . . . . . 33 THR HN . 52208 1 98 . 1 . 1 33 33 THR CA C 13 64.055 0.10 . 1 . . . . . 33 THR CA . 52208 1 99 . 1 . 1 33 33 THR CB C 13 68.645 0.10 . 1 . . . . . 33 THR CB . 52208 1 100 . 1 . 1 33 33 THR N N 15 108.867 0.10 . 1 . . . . . 33 THR N . 52208 1 101 . 1 . 1 34 34 GLU H H 1 7.584 0.02 . 1 . . . . . 34 GLU HN . 52208 1 102 . 1 . 1 34 34 GLU CA C 13 57.374 0.10 . 1 . . . . . 34 GLU CA . 52208 1 103 . 1 . 1 34 34 GLU CB C 13 30.733 0.10 . 1 . . . . . 34 GLU CB . 52208 1 104 . 1 . 1 34 34 GLU N N 15 120.573 0.10 . 1 . . . . . 34 GLU N . 52208 1 105 . 1 . 1 35 35 VAL H H 1 7.623 0.02 . 1 . . . . . 35 VAL HN . 52208 1 106 . 1 . 1 35 35 VAL CA C 13 67.613 0.10 . 1 . . . . . 35 VAL CA . 52208 1 107 . 1 . 1 35 35 VAL CB C 13 31.921 0.10 . 1 . . . . . 35 VAL CB . 52208 1 108 . 1 . 1 35 35 VAL N N 15 122.264 0.10 . 1 . . . . . 35 VAL N . 52208 1 109 . 1 . 1 38 38 ARG CA C 13 58.089 0.10 . 1 . . . . . 38 ARG CA . 52208 1 110 . 1 . 1 38 38 ARG CB C 13 29.680 0.10 . 1 . . . . . 38 ARG CB . 52208 1 111 . 1 . 1 39 39 GLY H H 1 9.294 0.02 . 1 . . . . . 39 GLY HN . 52208 1 112 . 1 . 1 39 39 GLY CA C 13 48.060 0.10 . 1 . . . . . 39 GLY CA . 52208 1 113 . 1 . 1 39 39 GLY N N 15 106.286 0.10 . 1 . . . . . 39 GLY N . 52208 1 114 . 1 . 1 40 40 GLY H H 1 8.628 0.02 . 1 . . . . . 40 GLY HN . 52208 1 115 . 1 . 1 40 40 GLY CA C 13 48.309 0.10 . 1 . . . . . 40 GLY CA . 52208 1 116 . 1 . 1 40 40 GLY N N 15 109.427 0.10 . 1 . . . . . 40 GLY N . 52208 1 117 . 1 . 1 41 41 GLU H H 1 7.533 0.02 . 1 . . . . . 41 GLU HN . 52208 1 118 . 1 . 1 41 41 GLU CA C 13 59.619 0.10 . 1 . . . . . 41 GLU CA . 52208 1 119 . 1 . 1 41 41 GLU CB C 13 30.062 0.10 . 1 . . . . . 41 GLU CB . 52208 1 120 . 1 . 1 41 41 GLU N N 15 121.030 0.10 . 1 . . . . . 41 GLU N . 52208 1 121 . 1 . 1 42 42 LEU H H 1 8.017 0.02 . 1 . . . . . 42 LEU HN . 52208 1 122 . 1 . 1 42 42 LEU CA C 13 58.128 0.10 . 1 . . . . . 42 LEU CA . 52208 1 123 . 1 . 1 42 42 LEU CB C 13 42.912 0.10 . 1 . . . . . 42 LEU CB . 52208 1 124 . 1 . 1 42 42 LEU N N 15 120.982 0.10 . 1 . . . . . 42 LEU N . 52208 1 125 . 1 . 1 43 43 TRP H H 1 8.906 0.02 . 1 . . . . . 43 TRP HN . 52208 1 126 . 1 . 1 43 43 TRP CA C 13 59.721 0.10 . 1 . . . . . 43 TRP CA . 52208 1 127 . 1 . 1 43 43 TRP CB C 13 30.927 0.10 . 1 . . . . . 43 TRP CB . 52208 1 128 . 1 . 1 43 43 TRP N N 15 121.355 0.10 . 1 . . . . . 43 TRP N . 52208 1 129 . 1 . 1 44 44 ARG H H 1 7.926 0.02 . 1 . . . . . 44 ARG HN . 52208 1 130 . 1 . 1 44 44 ARG CA C 13 59.653 0.10 . 1 . . . . . 44 ARG CA . 52208 1 131 . 1 . 1 44 44 ARG CB C 13 30.463 0.10 . 1 . . . . . 44 ARG CB . 52208 1 132 . 1 . 1 44 44 ARG N N 15 116.350 0.10 . 1 . . . . . 44 ARG N . 52208 1 133 . 1 . 1 45 45 ALA H H 1 7.018 0.02 . 1 . . . . . 45 ALA HN . 52208 1 134 . 1 . 1 45 45 ALA CA C 13 52.514 0.10 . 1 . . . . . 45 ALA CA . 52208 1 135 . 1 . 1 45 45 ALA CB C 13 19.699 0.10 . 1 . . . . . 45 ALA CB . 52208 1 136 . 1 . 1 45 45 ALA N N 15 117.872 0.10 . 1 . . . . . 45 ALA N . 52208 1 137 . 1 . 1 46 46 MET H H 1 7.071 0.02 . 1 . . . . . 46 MET HN . 52208 1 138 . 1 . 1 46 46 MET CA C 13 56.825 0.10 . 1 . . . . . 46 MET CA . 52208 1 139 . 1 . 1 46 46 MET CB C 13 33.366 0.10 . 1 . . . . . 46 MET CB . 52208 1 140 . 1 . 1 46 46 MET N N 15 120.792 0.10 . 1 . . . . . 46 MET N . 52208 1 141 . 1 . 1 47 47 LYS H H 1 8.493 0.02 . 1 . . . . . 47 LYS HN . 52208 1 142 . 1 . 1 47 47 LYS CA C 13 58.858 0.10 . 1 . . . . . 47 LYS CA . 52208 1 143 . 1 . 1 47 47 LYS CB C 13 32.915 0.10 . 1 . . . . . 47 LYS CB . 52208 1 144 . 1 . 1 47 47 LYS N N 15 126.637 0.10 . 1 . . . . . 47 LYS N . 52208 1 145 . 1 . 1 48 48 ASP H H 1 8.133 0.02 . 1 . . . . . 48 ASP HN . 52208 1 146 . 1 . 1 48 48 ASP CA C 13 53.177 0.10 . 1 . . . . . 48 ASP CA . 52208 1 147 . 1 . 1 48 48 ASP CB C 13 41.423 0.10 . 1 . . . . . 48 ASP CB . 52208 1 148 . 1 . 1 48 48 ASP N N 15 116.682 0.10 . 1 . . . . . 48 ASP N . 52208 1 149 . 1 . 1 49 49 LYS H H 1 8.745 0.02 . 1 . . . . . 49 LYS HN . 52208 1 150 . 1 . 1 49 49 LYS CA C 13 56.515 0.10 . 1 . . . . . 49 LYS CA . 52208 1 151 . 1 . 1 49 49 LYS CB C 13 33.410 0.10 . 1 . . . . . 49 LYS CB . 52208 1 152 . 1 . 1 49 49 LYS N N 15 125.377 0.10 . 1 . . . . . 49 LYS N . 52208 1 153 . 1 . 1 50 50 SER H H 1 8.447 0.02 . 1 . . . . . 50 SER HN . 52208 1 154 . 1 . 1 50 50 SER N N 15 117.431 0.10 . 1 . . . . . 50 SER N . 52208 1 155 . 1 . 1 51 51 GLU H H 1 9.026 0.02 . 1 . . . . . 51 GLU HN . 52208 1 156 . 1 . 1 51 51 GLU CA C 13 59.765 0.10 . 1 . . . . . 51 GLU CA . 52208 1 157 . 1 . 1 51 51 GLU CB C 13 29.755 0.10 . 1 . . . . . 51 GLU CB . 52208 1 158 . 1 . 1 51 51 GLU N N 15 124.247 0.10 . 1 . . . . . 51 GLU N . 52208 1 159 . 1 . 1 52 52 TRP H H 1 6.930 0.02 . 1 . . . . . 52 TRP HN . 52208 1 160 . 1 . 1 52 52 TRP CA C 13 59.429 0.10 . 1 . . . . . 52 TRP CA . 52208 1 161 . 1 . 1 52 52 TRP CB C 13 30.365 0.10 . 1 . . . . . 52 TRP CB . 52208 1 162 . 1 . 1 52 52 TRP N N 15 120.951 0.10 . 1 . . . . . 52 TRP N . 52208 1 163 . 1 . 1 53 53 GLU H H 1 8.493 0.02 . 1 . . . . . 53 GLU HN . 52208 1 164 . 1 . 1 53 53 GLU CA C 13 60.119 0.10 . 1 . . . . . 53 GLU CA . 52208 1 165 . 1 . 1 53 53 GLU CB C 13 29.743 0.10 . 1 . . . . . 53 GLU CB . 52208 1 166 . 1 . 1 53 53 GLU N N 15 119.474 0.10 . 1 . . . . . 53 GLU N . 52208 1 167 . 1 . 1 54 54 ALA H H 1 8.351 0.02 . 1 . . . . . 54 ALA HN . 52208 1 168 . 1 . 1 54 54 ALA CA C 13 55.631 0.10 . 1 . . . . . 54 ALA CA . 52208 1 169 . 1 . 1 54 54 ALA CB C 13 18.192 0.10 . 1 . . . . . 54 ALA CB . 52208 1 170 . 1 . 1 54 54 ALA N N 15 122.645 0.10 . 1 . . . . . 54 ALA N . 52208 1 171 . 1 . 1 55 55 LYS H H 1 7.783 0.02 . 1 . . . . . 55 LYS HN . 52208 1 172 . 1 . 1 55 55 LYS CA C 13 60.422 0.10 . 1 . . . . . 55 LYS CA . 52208 1 173 . 1 . 1 55 55 LYS CB C 13 33.702 0.10 . 1 . . . . . 55 LYS CB . 52208 1 174 . 1 . 1 55 55 LYS N N 15 119.472 0.10 . 1 . . . . . 55 LYS N . 52208 1 175 . 1 . 1 56 56 ALA H H 1 8.528 0.02 . 1 . . . . . 56 ALA HN . 52208 1 176 . 1 . 1 56 56 ALA CA C 13 55.442 0.10 . 1 . . . . . 56 ALA CA . 52208 1 177 . 1 . 1 56 56 ALA CB C 13 18.450 0.10 . 1 . . . . . 56 ALA CB . 52208 1 178 . 1 . 1 56 56 ALA N N 15 123.183 0.10 . 1 . . . . . 56 ALA N . 52208 1 179 . 1 . 1 57 57 ALA H H 1 8.267 0.02 . 1 . . . . . 57 ALA HN . 52208 1 180 . 1 . 1 57 57 ALA CA C 13 55.627 0.10 . 1 . . . . . 57 ALA CA . 52208 1 181 . 1 . 1 57 57 ALA CB C 13 18.224 0.10 . 1 . . . . . 57 ALA CB . 52208 1 182 . 1 . 1 57 57 ALA N N 15 123.011 0.10 . 1 . . . . . 57 ALA N . 52208 1 183 . 1 . 1 58 58 LYS H H 1 7.839 0.02 . 1 . . . . . 58 LYS HN . 52208 1 184 . 1 . 1 58 58 LYS CA C 13 59.249 0.10 . 1 . . . . . 58 LYS CA . 52208 1 185 . 1 . 1 58 58 LYS CB C 13 32.549 0.10 . 1 . . . . . 58 LYS CB . 52208 1 186 . 1 . 1 58 58 LYS N N 15 119.774 0.10 . 1 . . . . . 58 LYS N . 52208 1 187 . 1 . 1 59 59 ALA H H 1 7.954 0.02 . 1 . . . . . 59 ALA HN . 52208 1 188 . 1 . 1 59 59 ALA CA C 13 55.347 0.10 . 1 . . . . . 59 ALA CA . 52208 1 189 . 1 . 1 59 59 ALA CB C 13 18.354 0.10 . 1 . . . . . 59 ALA CB . 52208 1 190 . 1 . 1 59 59 ALA N N 15 120.250 0.10 . 1 . . . . . 59 ALA N . 52208 1 191 . 1 . 1 60 60 LYS H H 1 8.178 0.02 . 1 . . . . . 60 LYS HN . 52208 1 192 . 1 . 1 60 60 LYS CA C 13 60.017 0.10 . 1 . . . . . 60 LYS CA . 52208 1 193 . 1 . 1 60 60 LYS CB C 13 32.348 0.10 . 1 . . . . . 60 LYS CB . 52208 1 194 . 1 . 1 60 60 LYS N N 15 121.200 0.10 . 1 . . . . . 60 LYS N . 52208 1 195 . 1 . 1 61 61 ASP H H 1 8.115 0.02 . 1 . . . . . 61 ASP HN . 52208 1 196 . 1 . 1 61 61 ASP CA C 13 58.241 0.10 . 1 . . . . . 61 ASP CA . 52208 1 197 . 1 . 1 61 61 ASP CB C 13 41.141 0.10 . 1 . . . . . 61 ASP CB . 52208 1 198 . 1 . 1 61 61 ASP N N 15 120.959 0.10 . 1 . . . . . 61 ASP N . 52208 1 199 . 1 . 1 62 62 ASP H H 1 8.599 0.02 . 1 . . . . . 62 ASP HN . 52208 1 200 . 1 . 1 62 62 ASP CA C 13 57.774 0.10 . 1 . . . . . 62 ASP CA . 52208 1 201 . 1 . 1 62 62 ASP CB C 13 40.696 0.10 . 1 . . . . . 62 ASP CB . 52208 1 202 . 1 . 1 62 62 ASP N N 15 119.274 0.10 . 1 . . . . . 62 ASP N . 52208 1 203 . 1 . 1 63 63 TYR H H 1 8.085 0.02 . 1 . . . . . 63 TYR HN . 52208 1 204 . 1 . 1 63 63 TYR CA C 13 61.727 0.10 . 1 . . . . . 63 TYR CA . 52208 1 205 . 1 . 1 63 63 TYR CB C 13 38.963 0.10 . 1 . . . . . 63 TYR CB . 52208 1 206 . 1 . 1 63 63 TYR N N 15 123.001 0.10 . 1 . . . . . 63 TYR N . 52208 1 207 . 1 . 1 64 64 ASP H H 1 8.866 0.02 . 1 . . . . . 64 ASP HN . 52208 1 208 . 1 . 1 64 64 ASP CA C 13 57.756 0.10 . 1 . . . . . 64 ASP CA . 52208 1 209 . 1 . 1 64 64 ASP CB C 13 40.421 0.10 . 1 . . . . . 64 ASP CB . 52208 1 210 . 1 . 1 64 64 ASP N N 15 120.233 0.10 . 1 . . . . . 64 ASP N . 52208 1 211 . 1 . 1 65 65 ARG H H 1 7.880 0.02 . 1 . . . . . 65 ARG HN . 52208 1 212 . 1 . 1 65 65 ARG CA C 13 59.556 0.10 . 1 . . . . . 65 ARG CA . 52208 1 213 . 1 . 1 65 65 ARG CB C 13 30.583 0.10 . 1 . . . . . 65 ARG CB . 52208 1 214 . 1 . 1 65 65 ARG N N 15 118.769 0.10 . 1 . . . . . 65 ARG N . 52208 1 215 . 1 . 1 66 66 ALA H H 1 7.937 0.02 . 1 . . . . . 66 ALA HN . 52208 1 216 . 1 . 1 66 66 ALA CA C 13 55.066 0.10 . 1 . . . . . 66 ALA CA . 52208 1 217 . 1 . 1 66 66 ALA CB C 13 18.912 0.10 . 1 . . . . . 66 ALA CB . 52208 1 218 . 1 . 1 66 66 ALA N N 15 122.763 0.10 . 1 . . . . . 66 ALA N . 52208 1 219 . 1 . 1 67 67 VAL H H 1 8.556 0.02 . 1 . . . . . 67 VAL HN . 52208 1 220 . 1 . 1 67 67 VAL CA C 13 66.274 0.10 . 1 . . . . . 67 VAL CA . 52208 1 221 . 1 . 1 67 67 VAL CB C 13 32.027 0.10 . 1 . . . . . 67 VAL CB . 52208 1 222 . 1 . 1 67 67 VAL N N 15 118.872 0.10 . 1 . . . . . 67 VAL N . 52208 1 223 . 1 . 1 68 68 LYS H H 1 7.506 0.02 . 1 . . . . . 68 LYS HN . 52208 1 224 . 1 . 1 68 68 LYS CA C 13 58.971 0.10 . 1 . . . . . 68 LYS CA . 52208 1 225 . 1 . 1 68 68 LYS CB C 13 32.668 0.10 . 1 . . . . . 68 LYS CB . 52208 1 226 . 1 . 1 68 68 LYS N N 15 120.285 0.10 . 1 . . . . . 68 LYS N . 52208 1 227 . 1 . 1 69 69 GLU H H 1 7.832 0.02 . 1 . . . . . 69 GLU HN . 52208 1 228 . 1 . 1 69 69 GLU CA C 13 58.483 0.10 . 1 . . . . . 69 GLU CA . 52208 1 229 . 1 . 1 69 69 GLU CB C 13 30.188 0.10 . 1 . . . . . 69 GLU CB . 52208 1 230 . 1 . 1 69 69 GLU N N 15 117.890 0.10 . 1 . . . . . 69 GLU N . 52208 1 231 . 1 . 1 70 70 PHE H H 1 8.028 0.02 . 1 . . . . . 70 PHE HN . 52208 1 232 . 1 . 1 70 70 PHE CA C 13 60.991 0.10 . 1 . . . . . 70 PHE CA . 52208 1 233 . 1 . 1 70 70 PHE CB C 13 39.896 0.10 . 1 . . . . . 70 PHE CB . 52208 1 234 . 1 . 1 70 70 PHE N N 15 119.679 0.10 . 1 . . . . . 70 PHE N . 52208 1 235 . 1 . 1 71 71 GLU H H 1 8.509 0.02 . 1 . . . . . 71 GLU HN . 52208 1 236 . 1 . 1 71 71 GLU CA C 13 58.857 0.10 . 1 . . . . . 71 GLU CA . 52208 1 237 . 1 . 1 71 71 GLU CB C 13 29.967 0.10 . 1 . . . . . 71 GLU CB . 52208 1 238 . 1 . 1 71 71 GLU N N 15 118.881 0.10 . 1 . . . . . 71 GLU N . 52208 1 239 . 1 . 1 72 72 ALA H H 1 7.896 0.02 . 1 . . . . . 72 ALA HN . 52208 1 240 . 1 . 1 72 72 ALA CA C 13 54.420 0.10 . 1 . . . . . 72 ALA CA . 52208 1 241 . 1 . 1 72 72 ALA CB C 13 18.935 0.10 . 1 . . . . . 72 ALA CB . 52208 1 242 . 1 . 1 72 72 ALA N N 15 122.381 0.10 . 1 . . . . . 72 ALA N . 52208 1 243 . 1 . 1 73 73 ASN H H 1 7.800 0.02 . 1 . . . . . 73 ASN HN . 52208 1 244 . 1 . 1 73 73 ASN CA C 13 53.707 0.10 . 1 . . . . . 73 ASN CA . 52208 1 245 . 1 . 1 73 73 ASN CB C 13 39.403 0.10 . 1 . . . . . 73 ASN CB . 52208 1 246 . 1 . 1 73 73 ASN N N 15 114.923 0.10 . 1 . . . . . 73 ASN N . 52208 1 247 . 1 . 1 74 74 GLY H H 1 7.934 0.02 . 1 . . . . . 74 GLY HN . 52208 1 248 . 1 . 1 74 74 GLY CA C 13 46.005 0.10 . 1 . . . . . 74 GLY CA . 52208 1 249 . 1 . 1 74 74 GLY N N 15 107.878 0.10 . 1 . . . . . 74 GLY N . 52208 1 250 . 1 . 1 75 75 GLY H H 1 8.046 0.02 . 1 . . . . . 75 GLY HN . 52208 1 251 . 1 . 1 75 75 GLY CA C 13 45.724 0.10 . 1 . . . . . 75 GLY CA . 52208 1 252 . 1 . 1 75 75 GLY N N 15 108.494 0.10 . 1 . . . . . 75 GLY N . 52208 1 253 . 1 . 1 76 76 SER H H 1 8.236 0.02 . 1 . . . . . 76 SER HN . 52208 1 254 . 1 . 1 76 76 SER CA C 13 58.787 0.10 . 1 . . . . . 76 SER CA . 52208 1 255 . 1 . 1 76 76 SER CB C 13 64.444 0.10 . 1 . . . . . 76 SER CB . 52208 1 256 . 1 . 1 76 76 SER N N 15 115.614 0.10 . 1 . . . . . 76 SER N . 52208 1 257 . 1 . 1 77 77 SER H H 1 8.429 0.02 . 1 . . . . . 77 SER HN . 52208 1 258 . 1 . 1 77 77 SER CA C 13 58.880 0.10 . 1 . . . . . 77 SER CA . 52208 1 259 . 1 . 1 77 77 SER CB C 13 64.322 0.10 . 1 . . . . . 77 SER CB . 52208 1 260 . 1 . 1 77 77 SER N N 15 117.794 0.10 . 1 . . . . . 77 SER N . 52208 1 261 . 1 . 1 90 90 PRO CA C 13 63.361 0.10 . 1 . . . . . 90 PRO CA . 52208 1 262 . 1 . 1 90 90 PRO CB C 13 32.527 0.10 . 1 . . . . . 90 PRO CB . 52208 1 263 . 1 . 1 91 91 ALA H H 1 8.415 0.02 . 1 . . . . . 91 ALA HN . 52208 1 264 . 1 . 1 91 91 ALA CA C 13 52.661 0.10 . 1 . . . . . 91 ALA CA . 52208 1 265 . 1 . 1 91 91 ALA CB C 13 19.729 0.10 . 1 . . . . . 91 ALA CB . 52208 1 266 . 1 . 1 91 91 ALA N N 15 124.629 0.10 . 1 . . . . . 91 ALA N . 52208 1 267 . 1 . 1 94 94 VAL CA C 13 62.407 0.10 . 1 . . . . . 94 VAL CA . 52208 1 268 . 1 . 1 94 94 VAL CB C 13 33.078 0.10 . 1 . . . . . 94 VAL CB . 52208 1 269 . 1 . 1 95 95 ALA H H 1 8.387 0.02 . 1 . . . . . 95 ALA HN . 52208 1 270 . 1 . 1 95 95 ALA CA C 13 52.687 0.10 . 1 . . . . . 95 ALA CA . 52208 1 271 . 1 . 1 95 95 ALA CB C 13 19.727 0.10 . 1 . . . . . 95 ALA CB . 52208 1 272 . 1 . 1 95 95 ALA N N 15 127.960 0.10 . 1 . . . . . 95 ALA N . 52208 1 273 . 1 . 1 100 100 LYS CA C 13 57.227 0.10 . 1 . . . . . 100 LYS CA . 52208 1 274 . 1 . 1 100 100 LYS CB C 13 33.245 0.10 . 1 . . . . . 100 LYS CB . 52208 1 275 . 1 . 1 101 101 GLU H H 1 8.468 0.02 . 1 . . . . . 101 GLU HN . 52208 1 276 . 1 . 1 101 101 GLU CA C 13 57.255 0.10 . 1 . . . . . 101 GLU CA . 52208 1 277 . 1 . 1 101 101 GLU CB C 13 30.595 0.10 . 1 . . . . . 101 GLU CB . 52208 1 278 . 1 . 1 101 101 GLU N N 15 120.850 0.10 . 1 . . . . . 101 GLU N . 52208 1 279 . 1 . 1 102 102 GLU H H 1 8.426 0.02 . 1 . . . . . 102 GLU HN . 52208 1 280 . 1 . 1 102 102 GLU CA C 13 57.350 0.10 . 1 . . . . . 102 GLU CA . 52208 1 281 . 1 . 1 102 102 GLU CB C 13 30.491 0.10 . 1 . . . . . 102 GLU CB . 52208 1 282 . 1 . 1 102 102 GLU N N 15 120.271 0.10 . 1 . . . . . 102 GLU N . 52208 1 283 . 1 . 1 103 103 SER H H 1 8.167 0.02 . 1 . . . . . 103 SER HN . 52208 1 284 . 1 . 1 103 103 SER CA C 13 58.625 0.10 . 1 . . . . . 103 SER CA . 52208 1 285 . 1 . 1 103 103 SER CB C 13 64.464 0.10 . 1 . . . . . 103 SER CB . 52208 1 286 . 1 . 1 103 103 SER N N 15 115.010 0.10 . 1 . . . . . 103 SER N . 52208 1 stop_ save_