################################### # 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_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 19686 _Assigned_chem_shift_list.ID 1 _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 $chemical_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' . . . 19686 1 2 '3D HNCACB' . . . 19686 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_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.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 ALA CA C 13 53.068 0.2 . 1 . . . . 80 ALA CA . 19686 1 2 . 1 1 2 2 ALA CB C 13 19.908 0.2 . 1 . . . . 80 ALA CB . 19686 1 3 . 1 1 3 3 MET H H 1 8.524 0.02 . 1 . . . . 81 MET HN . 19686 1 4 . 1 1 3 3 MET CA C 13 55.789 0.2 . 1 . . . . 81 MET CA . 19686 1 5 . 1 1 3 3 MET CB C 13 33.37 0.2 . 1 . . . . 81 MET CB . 19686 1 6 . 1 1 3 3 MET N N 15 119.473 0.2 . 1 . . . . 81 MET N . 19686 1 7 . 1 1 4 4 GLY H H 1 8.207 0.02 . 1 . . . . 82 GLY HN . 19686 1 8 . 1 1 4 4 GLY CA C 13 44.894 0.2 . 1 . . . . 82 GLY CA . 19686 1 9 . 1 1 4 4 GLY N N 15 110.106 0.2 . 1 . . . . 82 GLY N . 19686 1 10 . 1 1 5 5 PRO CA C 13 63.594 0.2 . 1 . . . . 83 PRO CA . 19686 1 11 . 1 1 5 5 PRO CB C 13 32.747 0.2 . 1 . . . . 83 PRO CB . 19686 1 12 . 1 1 6 6 VAL H H 1 8.246 0.02 . 1 . . . . 84 VAL HN . 19686 1 13 . 1 1 6 6 VAL CA C 13 62.686 0.2 . 1 . . . . 84 VAL CA . 19686 1 14 . 1 1 6 6 VAL CB C 13 33.461 0.2 . 1 . . . . 84 VAL CB . 19686 1 15 . 1 1 6 6 VAL N N 15 120.452 0.2 . 1 . . . . 84 VAL N . 19686 1 16 . 1 1 7 7 ALA H H 1 8.484 0.02 . 1 . . . . 85 ALA HN . 19686 1 17 . 1 1 7 7 ALA CA C 13 50.784 0.2 . 1 . . . . 85 ALA CA . 19686 1 18 . 1 1 7 7 ALA CB C 13 18.864 0.2 . 1 . . . . 85 ALA CB . 19686 1 19 . 1 1 7 7 ALA N N 15 129.346 0.2 . 1 . . . . 85 ALA N . 19686 1 20 . 1 1 8 8 PRO CA C 13 63.806 0.2 . 1 . . . . 86 PRO CA . 19686 1 21 . 1 1 8 8 PRO CB C 13 32.479 0.2 . 1 . . . . 86 PRO CB . 19686 1 22 . 1 1 9 9 ASN H H 1 8.481 0.02 . 1 . . . . 87 ASN HN . 19686 1 23 . 1 1 9 9 ASN CA C 13 53.843 0.2 . 1 . . . . 87 ASN CA . 19686 1 24 . 1 1 9 9 ASN CB C 13 39.273 0.2 . 1 . . . . 87 ASN CB . 19686 1 25 . 1 1 9 9 ASN N N 15 117.723 0.2 . 1 . . . . 87 ASN N . 19686 1 26 . 1 1 10 10 ASP H H 1 8.244 0.02 . 1 . . . . 88 ASP HN . 19686 1 27 . 1 1 10 10 ASP CA C 13 54.904 0.2 . 1 . . . . 88 ASP CA . 19686 1 28 . 1 1 10 10 ASP CB C 13 41.646 0.2 . 1 . . . . 88 ASP CB . 19686 1 29 . 1 1 10 10 ASP N N 15 120.458 0.2 . 1 . . . . 88 ASP N . 19686 1 30 . 1 1 11 11 ARG H H 1 8.295 0.02 . 1 . . . . 89 ARG HN . 19686 1 31 . 1 1 11 11 ARG CA C 13 56.663 0.2 . 1 . . . . 89 ARG CA . 19686 1 32 . 1 1 11 11 ARG CB C 13 30.923 0.2 . 1 . . . . 89 ARG CB . 19686 1 33 . 1 1 11 11 ARG N N 15 120.939 0.2 . 1 . . . . 89 ARG N . 19686 1 34 . 1 1 12 12 SER H H 1 8.438 0.02 . 1 . . . . 90 SER HN . 19686 1 35 . 1 1 12 12 SER CA C 13 59.416 0.2 . 1 . . . . 90 SER CA . 19686 1 36 . 1 1 12 12 SER CB C 13 64.211 0.2 . 1 . . . . 90 SER CB . 19686 1 37 . 1 1 12 12 SER N N 15 116.519 0.2 . 1 . . . . 90 SER N . 19686 1 38 . 1 1 13 13 THR H H 1 8.194 0.02 . 1 . . . . 91 THR HN . 19686 1 39 . 1 1 13 13 THR CA C 13 62.213 0.2 . 1 . . . . 91 THR CA . 19686 1 40 . 1 1 13 13 THR CB C 13 69.952 0.2 . 1 . . . . 91 THR CB . 19686 1 41 . 1 1 13 13 THR N N 15 114.993 0.2 . 1 . . . . 91 THR N . 19686 1 42 . 1 1 15 15 SER CA C 13 58.842 0.2 . 1 . . . . 93 SER CA . 19686 1 43 . 1 1 15 15 SER CB C 13 64.475 0.2 . 1 . . . . 93 SER CB . 19686 1 44 . 1 1 16 16 SER H H 1 8.32 0.02 . 1 . . . . 94 SER HN . 19686 1 45 . 1 1 16 16 SER CA C 13 58.886 0.2 . 1 . . . . 94 SER CA . 19686 1 46 . 1 1 16 16 SER CB C 13 64.306 0.2 . 1 . . . . 94 SER CB . 19686 1 47 . 1 1 16 16 SER N N 15 117.755 0.2 . 1 . . . . 94 SER N . 19686 1 48 . 1 1 17 17 SER H H 1 8.431 0.02 . 1 . . . . 95 SER HN . 19686 1 49 . 1 1 17 17 SER CA C 13 58.972 0.2 . 1 . . . . 95 SER CA . 19686 1 50 . 1 1 17 17 SER CB C 13 64.253 0.2 . 1 . . . . 95 SER CB . 19686 1 51 . 1 1 17 17 SER N N 15 117.66 0.2 . 1 . . . . 95 SER N . 19686 1 52 . 1 1 18 18 THR H H 1 8.249 0.02 . 1 . . . . 96 THR HN . 19686 1 53 . 1 1 18 18 THR CA C 13 62.464 0.2 . 1 . . . . 96 THR CA . 19686 1 54 . 1 1 18 18 THR CB C 13 69.87 0.2 . 1 . . . . 96 THR CB . 19686 1 55 . 1 1 18 18 THR N N 15 114.692 0.2 . 1 . . . . 96 THR N . 19686 1 56 . 1 1 19 19 ASP H H 1 8.286 0.02 . 1 . . . . 97 ASP HN . 19686 1 57 . 1 1 19 19 ASP CA C 13 54.978 0.2 . 1 . . . . 97 ASP CA . 19686 1 58 . 1 1 19 19 ASP CB C 13 41.959 0.2 . 1 . . . . 97 ASP CB . 19686 1 59 . 1 1 19 19 ASP N N 15 122.185 0.2 . 1 . . . . 97 ASP N . 19686 1 60 . 1 1 20 20 GLY H H 1 8.13 0.02 . 1 . . . . 98 GLY HN . 19686 1 61 . 1 1 20 20 GLY CA C 13 45.518 0.2 . 1 . . . . 98 GLY CA . 19686 1 62 . 1 1 20 20 GLY N N 15 108.637 0.2 . 1 . . . . 98 GLY N . 19686 1 63 . 1 1 21 21 PRO CA C 13 63.882 0.2 . 1 . . . . 99 PRO CA . 19686 1 64 . 1 1 21 21 PRO CB C 13 32.723 0.2 . 1 . . . . 99 PRO CB . 19686 1 65 . 1 1 22 22 ARG H H 1 8.293 0.02 . 1 . . . . 100 ARG HN . 19686 1 66 . 1 1 22 22 ARG CA C 13 55.793 0.2 . 1 . . . . 100 ARG CA . 19686 1 67 . 1 1 22 22 ARG CB C 13 32.877 0.2 . 1 . . . . 100 ARG CB . 19686 1 68 . 1 1 22 22 ARG N N 15 117.992 0.2 . 1 . . . . 100 ARG N . 19686 1 69 . 1 1 23 23 ARG H H 1 8.204 0.02 . 1 . . . . 101 ARG HN . 19686 1 70 . 1 1 23 23 ARG CA C 13 55.633 0.2 . 1 . . . . 101 ARG CA . 19686 1 71 . 1 1 23 23 ARG CB C 13 32.811 0.2 . 1 . . . . 101 ARG CB . 19686 1 72 . 1 1 23 23 ARG N N 15 123.794 0.2 . 1 . . . . 101 ARG N . 19686 1 73 . 1 1 24 24 LEU H H 1 9.705 0.02 . 1 . . . . 102 LEU HN . 19686 1 74 . 1 1 24 24 LEU CA C 13 53.934 0.2 . 1 . . . . 102 LEU CA . 19686 1 75 . 1 1 24 24 LEU CB C 13 44.776 0.2 . 1 . . . . 102 LEU CB . 19686 1 76 . 1 1 24 24 LEU N N 15 127.34 0.2 . 1 . . . . 102 LEU N . 19686 1 77 . 1 1 25 25 HIS H H 1 9.222 0.02 . 1 . . . . 103 HIS HN . 19686 1 78 . 1 1 25 25 HIS CA C 13 55.282 0.2 . 1 . . . . 103 HIS CA . 19686 1 79 . 1 1 25 25 HIS CB C 13 35.267 0.2 . 1 . . . . 103 HIS CB . 19686 1 80 . 1 1 25 25 HIS N N 15 123.852 0.2 . 1 . . . . 103 HIS N . 19686 1 81 . 1 1 26 26 VAL H H 1 8.344 0.02 . 1 . . . . 104 VAL HN . 19686 1 82 . 1 1 26 26 VAL CA C 13 60.091 0.2 . 1 . . . . 104 VAL CA . 19686 1 83 . 1 1 26 26 VAL CB C 13 33.576 0.2 . 1 . . . . 104 VAL CB . 19686 1 84 . 1 1 26 26 VAL N N 15 126.612 0.2 . 1 . . . . 104 VAL N . 19686 1 85 . 1 1 27 27 SER H H 1 9.038 0.02 . 1 . . . . 105 SER HN . 19686 1 86 . 1 1 27 27 SER CA C 13 56.27 0.2 . 1 . . . . 105 SER CA . 19686 1 87 . 1 1 27 27 SER CB C 13 65.229 0.2 . 1 . . . . 105 SER CB . 19686 1 88 . 1 1 27 27 SER N N 15 117.825 0.2 . 1 . . . . 105 SER N . 19686 1 89 . 1 1 28 28 ASN H H 1 7.603 0.02 . 1 . . . . 106 ASN HN . 19686 1 90 . 1 1 28 28 ASN CA C 13 54.768 0.2 . 1 . . . . 106 ASN CA . 19686 1 91 . 1 1 28 28 ASN CB C 13 38.311 0.2 . 1 . . . . 106 ASN CB . 19686 1 92 . 1 1 28 28 ASN N N 15 119.365 0.2 . 1 . . . . 106 ASN N . 19686 1 93 . 1 1 29 29 ILE H H 1 7.236 0.02 . 1 . . . . 107 ILE HN . 19686 1 94 . 1 1 29 29 ILE CA C 13 59.839 0.2 . 1 . . . . 107 ILE CA . 19686 1 95 . 1 1 29 29 ILE CB C 13 36.993 0.2 . 1 . . . . 107 ILE CB . 19686 1 96 . 1 1 29 29 ILE N N 15 107.026 0.2 . 1 . . . . 107 ILE N . 19686 1 97 . 1 1 30 30 PRO CA C 13 63.808 0.2 . 1 . . . . 108 PRO CA . 19686 1 98 . 1 1 30 30 PRO CB C 13 32.832 0.2 . 1 . . . . 108 PRO CB . 19686 1 99 . 1 1 31 31 PHE H H 1 9.253 0.02 . 1 . . . . 109 PHE HN . 19686 1 100 . 1 1 31 31 PHE CA C 13 57.785 0.2 . 1 . . . . 109 PHE CA . 19686 1 101 . 1 1 31 31 PHE CB C 13 37.677 0.2 . 1 . . . . 109 PHE CB . 19686 1 102 . 1 1 31 31 PHE N N 15 128.361 0.2 . 1 . . . . 109 PHE N . 19686 1 103 . 1 1 32 32 LYS H H 1 8.456 0.02 . 1 . . . . 110 LYS HN . 19686 1 104 . 1 1 32 32 LYS CA C 13 57.717 0.2 . 1 . . . . 110 LYS CA . 19686 1 105 . 1 1 32 32 LYS CB C 13 32.865 0.2 . 1 . . . . 110 LYS CB . 19686 1 106 . 1 1 32 32 LYS N N 15 112.319 0.2 . 1 . . . . 110 LYS N . 19686 1 107 . 1 1 33 33 TYR H H 1 7.706 0.02 . 1 . . . . 111 TYR HN . 19686 1 108 . 1 1 33 33 TYR CA C 13 58.87 0.2 . 1 . . . . 111 TYR CA . 19686 1 109 . 1 1 33 33 TYR CB C 13 37.749 0.2 . 1 . . . . 111 TYR CB . 19686 1 110 . 1 1 33 33 TYR N N 15 120.059 0.2 . 1 . . . . 111 TYR N . 19686 1 111 . 1 1 34 34 ARG H H 1 9.904 0.02 . 1 . . . . 112 ARG HN . 19686 1 112 . 1 1 34 34 ARG CA C 13 52.887 0.2 . 1 . . . . 112 ARG CA . 19686 1 113 . 1 1 34 34 ARG CB C 13 33.743 0.2 . 1 . . . . 112 ARG CB . 19686 1 114 . 1 1 34 34 ARG N N 15 124.024 0.2 . 1 . . . . 112 ARG N . 19686 1 115 . 1 1 35 35 GLU H H 1 10.48 0.02 . 1 . . . . 113 GLU HN . 19686 1 116 . 1 1 35 35 GLU CA C 13 63.93 0.2 . 1 . . . . 113 GLU CA . 19686 1 117 . 1 1 35 35 GLU CB C 13 26.805 0.2 . 1 . . . . 113 GLU CB . 19686 1 118 . 1 1 35 35 GLU N N 15 122.605 0.2 . 1 . . . . 113 GLU N . 19686 1 119 . 1 1 36 36 PRO CA C 13 66.512 0.2 . 1 . . . . 114 PRO CA . 19686 1 120 . 1 1 36 36 PRO CB C 13 31.675 0.2 . 1 . . . . 114 PRO CB . 19686 1 121 . 1 1 37 37 ASP H H 1 7.321 0.02 . 1 . . . . 115 ASP HN . 19686 1 122 . 1 1 37 37 ASP CA C 13 57.166 0.2 . 1 . . . . 115 ASP CA . 19686 1 123 . 1 1 37 37 ASP CB C 13 41.07 0.2 . 1 . . . . 115 ASP CB . 19686 1 124 . 1 1 37 37 ASP N N 15 115.036 0.2 . 1 . . . . 115 ASP N . 19686 1 125 . 1 1 38 38 LEU H H 1 7.363 0.02 . 1 . . . . 116 LEU HN . 19686 1 126 . 1 1 38 38 LEU CA C 13 57.535 0.2 . 1 . . . . 116 LEU CA . 19686 1 127 . 1 1 38 38 LEU CB C 13 43.18 0.2 . 1 . . . . 116 LEU CB . 19686 1 128 . 1 1 38 38 LEU N N 15 118.68 0.2 . 1 . . . . 116 LEU N . 19686 1 129 . 1 1 39 39 THR H H 1 8.581 0.02 . 1 . . . . 117 THR HN . 19686 1 130 . 1 1 39 39 THR CA C 13 68.673 0.2 . 1 . . . . 117 THR CA . 19686 1 131 . 1 1 39 39 THR N N 15 116.623 0.2 . 1 . . . . 117 THR N . 19686 1 132 . 1 1 40 40 ALA H H 1 7.707 0.02 . 1 . . . . 118 ALA HN . 19686 1 133 . 1 1 40 40 ALA CA C 13 55.455 0.2 . 1 . . . . 118 ALA CA . 19686 1 134 . 1 1 40 40 ALA CB C 13 18.633 0.2 . 1 . . . . 118 ALA CB . 19686 1 135 . 1 1 40 40 ALA N N 15 120.127 0.2 . 1 . . . . 118 ALA N . 19686 1 136 . 1 1 41 41 MET H H 1 7.202 0.02 . 1 . . . . 119 MET HN . 19686 1 137 . 1 1 41 41 MET CA C 13 59.221 0.2 . 1 . . . . 119 MET CA . 19686 1 138 . 1 1 41 41 MET CB C 13 33.297 0.2 . 1 . . . . 119 MET CB . 19686 1 139 . 1 1 41 41 MET N N 15 115.125 0.2 . 1 . . . . 119 MET N . 19686 1 140 . 1 1 42 42 PHE H H 1 7.944 0.02 . 1 . . . . 120 PHE HN . 19686 1 141 . 1 1 42 42 PHE CA C 13 63.13 0.2 . 1 . . . . 120 PHE CA . 19686 1 142 . 1 1 42 42 PHE CB C 13 39.93 0.2 . 1 . . . . 120 PHE CB . 19686 1 143 . 1 1 42 42 PHE N N 15 114.414 0.2 . 1 . . . . 120 PHE N . 19686 1 144 . 1 1 43 43 GLU H H 1 8.828 0.02 . 1 . . . . 121 GLU HN . 19686 1 145 . 1 1 43 43 GLU CA C 13 58.627 0.2 . 1 . . . . 121 GLU CA . 19686 1 146 . 1 1 43 43 GLU CB C 13 29.565 0.2 . 1 . . . . 121 GLU CB . 19686 1 147 . 1 1 43 43 GLU N N 15 120.497 0.2 . 1 . . . . 121 GLU N . 19686 1 148 . 1 1 44 44 LYS H H 1 7.091 0.02 . 1 . . . . 122 LYS HN . 19686 1 149 . 1 1 44 44 LYS CA C 13 59.001 0.2 . 1 . . . . 122 LYS CA . 19686 1 150 . 1 1 44 44 LYS CB C 13 33.1 0.2 . 1 . . . . 122 LYS CB . 19686 1 151 . 1 1 44 44 LYS N N 15 116.784 0.2 . 1 . . . . 122 LYS N . 19686 1 152 . 1 1 45 45 VAL H H 1 7.973 0.02 . 1 . . . . 123 VAL HN . 19686 1 153 . 1 1 45 45 VAL CA C 13 64.748 0.2 . 1 . . . . 123 VAL CA . 19686 1 154 . 1 1 45 45 VAL CB C 13 32.967 0.2 . 1 . . . . 123 VAL CB . 19686 1 155 . 1 1 45 45 VAL N N 15 117.826 0.2 . 1 . . . . 123 VAL N . 19686 1 156 . 1 1 46 46 GLY H H 1 7.867 0.02 . 1 . . . . 124 GLY HN . 19686 1 157 . 1 1 46 46 GLY CA C 13 46.203 0.2 . 1 . . . . 124 GLY CA . 19686 1 158 . 1 1 46 46 GLY N N 15 106.431 0.2 . 1 . . . . 124 GLY N . 19686 1 159 . 1 1 47 47 PRO CA C 13 63.93 0.2 . 1 . . . . 125 PRO CA . 19686 1 160 . 1 1 47 47 PRO CB C 13 32.413 0.2 . 1 . . . . 125 PRO CB . 19686 1 161 . 1 1 48 48 VAL H H 1 9.019 0.02 . 1 . . . . 126 VAL HN . 19686 1 162 . 1 1 48 48 VAL CA C 13 62.285 0.2 . 1 . . . . 126 VAL CA . 19686 1 163 . 1 1 48 48 VAL CB C 13 35.426 0.2 . 1 . . . . 126 VAL CB . 19686 1 164 . 1 1 48 48 VAL N N 15 124.806 0.2 . 1 . . . . 126 VAL N . 19686 1 165 . 1 1 49 49 VAL H H 1 8.938 0.02 . 1 . . . . 127 VAL HN . 19686 1 166 . 1 1 49 49 VAL CA C 13 63.07 0.2 . 1 . . . . 127 VAL CA . 19686 1 167 . 1 1 49 49 VAL CB C 13 33.787 0.2 . 1 . . . . 127 VAL CB . 19686 1 168 . 1 1 49 49 VAL N N 15 122.857 0.2 . 1 . . . . 127 VAL N . 19686 1 169 . 1 1 50 50 ASP H H 1 7.558 0.02 . 1 . . . . 128 ASP HN . 19686 1 170 . 1 1 50 50 ASP CA C 13 55.203 0.2 . 1 . . . . 128 ASP CA . 19686 1 171 . 1 1 50 50 ASP CB C 13 45.281 0.2 . 1 . . . . 128 ASP CB . 19686 1 172 . 1 1 50 50 ASP N N 15 116.938 0.2 . 1 . . . . 128 ASP N . 19686 1 173 . 1 1 51 51 VAL H H 1 8.069 0.02 . 1 . . . . 129 VAL HN . 19686 1 174 . 1 1 51 51 VAL CA C 13 61.316 0.2 . 1 . . . . 129 VAL CA . 19686 1 175 . 1 1 51 51 VAL CB C 13 36.133 0.2 . 1 . . . . 129 VAL CB . 19686 1 176 . 1 1 51 51 VAL N N 15 118.631 0.2 . 1 . . . . 129 VAL N . 19686 1 177 . 1 1 52 52 GLU H H 1 8.962 0.02 . 1 . . . . 130 GLU HN . 19686 1 178 . 1 1 52 52 GLU CA C 13 56.365 0.2 . 1 . . . . 130 GLU CA . 19686 1 179 . 1 1 52 52 GLU CB C 13 35.004 0.2 . 1 . . . . 130 GLU CB . 19686 1 180 . 1 1 52 52 GLU N N 15 125.677 0.2 . 1 . . . . 130 GLU N . 19686 1 181 . 1 1 53 53 ILE CA C 13 60.107 0.2 . 1 . . . . 131 ILE CA . 19686 1 182 . 1 1 53 53 ILE CB C 13 38.789 0.2 . 1 . . . . 131 ILE CB . 19686 1 183 . 1 1 54 54 ILE H H 1 7.283 0.02 . 1 . . . . 132 ILE HN . 19686 1 184 . 1 1 54 54 ILE CA C 13 58.271 0.2 . 1 . . . . 132 ILE CA . 19686 1 185 . 1 1 54 54 ILE CB C 13 34.272 0.2 . 1 . . . . 132 ILE CB . 19686 1 186 . 1 1 54 54 ILE N N 15 125.36 0.2 . 1 . . . . 132 ILE N . 19686 1 187 . 1 1 55 55 PHE H H 1 8.63 0.02 . 1 . . . . 133 PHE HN . 19686 1 188 . 1 1 55 55 PHE CA C 13 56.737 0.2 . 1 . . . . 133 PHE CA . 19686 1 189 . 1 1 55 55 PHE CB C 13 43.692 0.2 . 1 . . . . 133 PHE CB . 19686 1 190 . 1 1 55 55 PHE N N 15 124.94 0.2 . 1 . . . . 133 PHE N . 19686 1 191 . 1 1 56 56 ASN H H 1 8.592 0.02 . 1 . . . . 134 ASN HN . 19686 1 192 . 1 1 56 56 ASN CA C 13 52.444 0.2 . 1 . . . . 134 ASN CA . 19686 1 193 . 1 1 56 56 ASN CB C 13 39.664 0.2 . 1 . . . . 134 ASN CB . 19686 1 194 . 1 1 56 56 ASN N N 15 115.335 0.2 . 1 . . . . 134 ASN N . 19686 1 195 . 1 1 57 57 GLU H H 1 9.408 0.02 . 1 . . . . 135 GLU HN . 19686 1 196 . 1 1 57 57 GLU CA C 13 59.763 0.2 . 1 . . . . 135 GLU CA . 19686 1 197 . 1 1 57 57 GLU CB C 13 29.047 0.2 . 1 . . . . 135 GLU CB . 19686 1 198 . 1 1 57 57 GLU N N 15 118.687 0.2 . 1 . . . . 135 GLU N . 19686 1 199 . 1 1 58 58 ARG H H 1 7.756 0.02 . 1 . . . . 136 ARG HN . 19686 1 200 . 1 1 58 58 ARG CA C 13 56.724 0.2 . 1 . . . . 136 ARG CA . 19686 1 201 . 1 1 58 58 ARG CB C 13 31.652 0.2 . 1 . . . . 136 ARG CB . 19686 1 202 . 1 1 58 58 ARG N N 15 116.972 0.2 . 1 . . . . 136 ARG N . 19686 1 203 . 1 1 59 59 GLY H H 1 7.826 0.02 . 1 . . . . 137 GLY HN . 19686 1 204 . 1 1 59 59 GLY CA C 13 43.638 0.2 . 1 . . . . 137 GLY CA . 19686 1 205 . 1 1 59 59 GLY N N 15 106.231 0.2 . 1 . . . . 137 GLY N . 19686 1 206 . 1 1 60 60 SER H H 1 7.979 0.02 . 1 . . . . 138 SER HN . 19686 1 207 . 1 1 60 60 SER CA C 13 58.66 0.2 . 1 . . . . 138 SER CA . 19686 1 208 . 1 1 60 60 SER CB C 13 64.255 0.2 . 1 . . . . 138 SER CB . 19686 1 209 . 1 1 60 60 SER N N 15 114.717 0.2 . 1 . . . . 138 SER N . 19686 1 210 . 1 1 61 61 LYS H H 1 9.43 0.02 . 1 . . . . 139 LYS HN . 19686 1 211 . 1 1 61 61 LYS CA C 13 57.943 0.2 . 1 . . . . 139 LYS CA . 19686 1 212 . 1 1 61 61 LYS CB C 13 31.207 0.2 . 1 . . . . 139 LYS CB . 19686 1 213 . 1 1 61 61 LYS N N 15 123.764 0.2 . 1 . . . . 139 LYS N . 19686 1 214 . 1 1 62 62 GLY H H 1 9.606 0.02 . 1 . . . . 140 GLY HN . 19686 1 215 . 1 1 62 62 GLY CA C 13 46.648 0.2 . 1 . . . . 140 GLY CA . 19686 1 216 . 1 1 62 62 GLY N N 15 106.93 0.2 . 1 . . . . 140 GLY N . 19686 1 217 . 1 1 63 63 PHE H H 1 7.391 0.02 . 1 . . . . 141 PHE HN . 19686 1 218 . 1 1 63 63 PHE CA C 13 55.484 0.2 . 1 . . . . 141 PHE CA . 19686 1 219 . 1 1 63 63 PHE CB C 13 42.438 0.2 . 1 . . . . 141 PHE CB . 19686 1 220 . 1 1 63 63 PHE N N 15 112.987 0.2 . 1 . . . . 141 PHE N . 19686 1 221 . 1 1 64 64 GLY H H 1 8.781 0.02 . 1 . . . . 142 GLY HN . 19686 1 222 . 1 1 64 64 GLY CA C 13 45.899 0.2 . 1 . . . . 142 GLY CA . 19686 1 223 . 1 1 64 64 GLY N N 15 105.063 0.2 . 1 . . . . 142 GLY N . 19686 1 224 . 1 1 65 65 PHE H H 1 9.082 0.02 . 1 . . . . 143 PHE HN . 19686 1 225 . 1 1 65 65 PHE CA C 13 56.594 0.2 . 1 . . . . 143 PHE CA . 19686 1 226 . 1 1 65 65 PHE CB C 13 44.022 0.2 . 1 . . . . 143 PHE CB . 19686 1 227 . 1 1 65 65 PHE N N 15 116.126 0.2 . 1 . . . . 143 PHE N . 19686 1 228 . 1 1 66 66 VAL H H 1 8.733 0.02 . 1 . . . . 144 VAL HN . 19686 1 229 . 1 1 66 66 VAL CA C 13 60.564 0.2 . 1 . . . . 144 VAL CA . 19686 1 230 . 1 1 66 66 VAL CB C 13 37.112 0.2 . 1 . . . . 144 VAL CB . 19686 1 231 . 1 1 66 66 VAL N N 15 118.003 0.2 . 1 . . . . 144 VAL N . 19686 1 232 . 1 1 67 67 THR H H 1 9.317 0.02 . 1 . . . . 145 THR HN . 19686 1 233 . 1 1 67 67 THR CA C 13 62.24 0.2 . 1 . . . . 145 THR CA . 19686 1 234 . 1 1 67 67 THR CB C 13 69.392 0.2 . 1 . . . . 145 THR CB . 19686 1 235 . 1 1 67 67 THR N N 15 123.73 0.2 . 1 . . . . 145 THR N . 19686 1 236 . 1 1 68 68 MET H H 1 8.795 0.02 . 1 . . . . 146 MET HN . 19686 1 237 . 1 1 68 68 MET CA C 13 53.604 0.2 . 1 . . . . 146 MET CA . 19686 1 238 . 1 1 68 68 MET CB C 13 31.432 0.2 . 1 . . . . 146 MET CB . 19686 1 239 . 1 1 68 68 MET N N 15 126.109 0.2 . 1 . . . . 146 MET N . 19686 1 240 . 1 1 69 69 GLN H H 1 8.353 0.02 . 1 . . . . 147 GLN HN . 19686 1 241 . 1 1 69 69 GLN CA C 13 59.832 0.2 . 1 . . . . 147 GLN CA . 19686 1 242 . 1 1 69 69 GLN CB C 13 30.584 0.2 . 1 . . . . 147 GLN CB . 19686 1 243 . 1 1 69 69 GLN N N 15 120.648 0.2 . 1 . . . . 147 GLN N . 19686 1 244 . 1 1 70 70 ASN H H 1 9.106 0.02 . 1 . . . . 148 ASN HN . 19686 1 245 . 1 1 70 70 ASN CA C 13 50.186 0.2 . 1 . . . . 148 ASN CA . 19686 1 246 . 1 1 70 70 ASN CB C 13 40.192 0.2 . 1 . . . . 148 ASN CB . 19686 1 247 . 1 1 70 70 ASN N N 15 114.753 0.2 . 1 . . . . 148 ASN N . 19686 1 248 . 1 1 71 71 PRO CA C 13 66.143 0.2 . 1 . . . . 149 PRO CA . 19686 1 249 . 1 1 71 71 PRO CB C 13 32.287 0.2 . 1 . . . . 149 PRO CB . 19686 1 250 . 1 1 72 72 ASP H H 1 8.653 0.02 . 1 . . . . 150 ASP HN . 19686 1 251 . 1 1 72 72 ASP CA C 13 57.512 0.2 . 1 . . . . 150 ASP CA . 19686 1 252 . 1 1 72 72 ASP CB C 13 40.248 0.2 . 1 . . . . 150 ASP CB . 19686 1 253 . 1 1 72 72 ASP N N 15 117.41 0.2 . 1 . . . . 150 ASP N . 19686 1 254 . 1 1 73 73 ASP H H 1 7.6 0.02 . 1 . . . . 151 ASP HN . 19686 1 255 . 1 1 73 73 ASP CA C 13 57.032 0.2 . 1 . . . . 151 ASP CA . 19686 1 256 . 1 1 73 73 ASP CB C 13 40.427 0.2 . 1 . . . . 151 ASP CB . 19686 1 257 . 1 1 73 73 ASP N N 15 119.776 0.2 . 1 . . . . 151 ASP N . 19686 1 258 . 1 1 74 74 ALA H H 1 7.68 0.02 . 1 . . . . 152 ALA HN . 19686 1 259 . 1 1 74 74 ALA CA C 13 56.397 0.2 . 1 . . . . 152 ALA CA . 19686 1 260 . 1 1 74 74 ALA CB C 13 18.042 0.2 . 1 . . . . 152 ALA CB . 19686 1 261 . 1 1 74 74 ALA N N 15 122.543 0.2 . 1 . . . . 152 ALA N . 19686 1 262 . 1 1 75 75 ASP H H 1 7.87 0.02 . 1 . . . . 153 ASP HN . 19686 1 263 . 1 1 75 75 ASP CA C 13 58.456 0.2 . 1 . . . . 153 ASP CA . 19686 1 264 . 1 1 75 75 ASP CB C 13 41.312 0.2 . 1 . . . . 153 ASP CB . 19686 1 265 . 1 1 75 75 ASP N N 15 118.043 0.2 . 1 . . . . 153 ASP N . 19686 1 266 . 1 1 76 76 ARG H H 1 8.019 0.02 . 1 . . . . 154 ARG HN . 19686 1 267 . 1 1 76 76 ARG CA C 13 59.972 0.2 . 1 . . . . 154 ARG CA . 19686 1 268 . 1 1 76 76 ARG CB C 13 30.877 0.2 . 1 . . . . 154 ARG CB . 19686 1 269 . 1 1 76 76 ARG N N 15 120.197 0.2 . 1 . . . . 154 ARG N . 19686 1 270 . 1 1 77 77 ALA H H 1 8.88 0.02 . 1 . . . . 155 ALA HN . 19686 1 271 . 1 1 77 77 ALA CA C 13 55.514 0.2 . 1 . . . . 155 ALA CA . 19686 1 272 . 1 1 77 77 ALA CB C 13 18.882 0.2 . 1 . . . . 155 ALA CB . 19686 1 273 . 1 1 77 77 ALA N N 15 121.247 0.2 . 1 . . . . 155 ALA N . 19686 1 274 . 1 1 78 78 ARG H H 1 8.162 0.02 . 1 . . . . 156 ARG HN . 19686 1 275 . 1 1 78 78 ARG CA C 13 61.251 0.2 . 1 . . . . 156 ARG CA . 19686 1 276 . 1 1 78 78 ARG CB C 13 30.52 0.2 . 1 . . . . 156 ARG CB . 19686 1 277 . 1 1 78 78 ARG N N 15 117.137 0.2 . 1 . . . . 156 ARG N . 19686 1 278 . 1 1 79 79 ALA H H 1 7.57 0.02 . 1 . . . . 157 ALA HN . 19686 1 279 . 1 1 79 79 ALA CA C 13 55.237 0.2 . 1 . . . . 157 ALA CA . 19686 1 280 . 1 1 79 79 ALA CB C 13 18.78 0.2 . 1 . . . . 157 ALA CB . 19686 1 281 . 1 1 79 79 ALA N N 15 119.304 0.2 . 1 . . . . 157 ALA N . 19686 1 282 . 1 1 80 80 GLU H H 1 8.335 0.02 . 1 . . . . 158 GLU HN . 19686 1 283 . 1 1 80 80 GLU CA C 13 58.801 0.2 . 1 . . . . 158 GLU CA . 19686 1 284 . 1 1 80 80 GLU CB C 13 30.273 0.2 . 1 . . . . 158 GLU CB . 19686 1 285 . 1 1 80 80 GLU N N 15 116.302 0.2 . 1 . . . . 158 GLU N . 19686 1 286 . 1 1 81 81 PHE H H 1 7.974 0.02 . 1 . . . . 159 PHE HN . 19686 1 287 . 1 1 81 81 PHE CA C 13 57.363 0.2 . 1 . . . . 159 PHE CA . 19686 1 288 . 1 1 81 81 PHE CB C 13 41.388 0.2 . 1 . . . . 159 PHE CB . 19686 1 289 . 1 1 81 81 PHE N N 15 111.235 0.2 . 1 . . . . 159 PHE N . 19686 1 290 . 1 1 82 82 ASN H H 1 8.264 0.02 . 1 . . . . 160 ASN HN . 19686 1 291 . 1 1 82 82 ASN CA C 13 57.39 0.2 . 1 . . . . 160 ASN CA . 19686 1 292 . 1 1 82 82 ASN CB C 13 39.37 0.2 . 1 . . . . 160 ASN CB . 19686 1 293 . 1 1 82 82 ASN N N 15 118.34 0.2 . 1 . . . . 160 ASN N . 19686 1 294 . 1 1 83 83 GLY H H 1 9.164 0.02 . 1 . . . . 161 GLY HN . 19686 1 295 . 1 1 83 83 GLY CA C 13 46.234 0.2 . 1 . . . . 161 GLY CA . 19686 1 296 . 1 1 83 83 GLY N N 15 116.269 0.2 . 1 . . . . 161 GLY N . 19686 1 297 . 1 1 84 84 THR H H 1 7.723 0.02 . 1 . . . . 162 THR HN . 19686 1 298 . 1 1 84 84 THR CA C 13 62.569 0.2 . 1 . . . . 162 THR CA . 19686 1 299 . 1 1 84 84 THR CB C 13 70.985 0.2 . 1 . . . . 162 THR CB . 19686 1 300 . 1 1 84 84 THR N N 15 114.05 0.2 . 1 . . . . 162 THR N . 19686 1 301 . 1 1 85 85 THR H H 1 8.336 0.02 . 1 . . . . 163 THR HN . 19686 1 302 . 1 1 85 85 THR CA C 13 62.454 0.2 . 1 . . . . 163 THR CA . 19686 1 303 . 1 1 85 85 THR CB C 13 69.803 0.2 . 1 . . . . 163 THR CB . 19686 1 304 . 1 1 85 85 THR N N 15 116.302 0.2 . 1 . . . . 163 THR N . 19686 1 305 . 1 1 86 86 ILE H H 1 9.014 0.02 . 1 . . . . 164 ILE HN . 19686 1 306 . 1 1 86 86 ILE CA C 13 60.611 0.2 . 1 . . . . 164 ILE CA . 19686 1 307 . 1 1 86 86 ILE CB C 13 40.594 0.2 . 1 . . . . 164 ILE CB . 19686 1 308 . 1 1 86 86 ILE N N 15 127.045 0.2 . 1 . . . . 164 ILE N . 19686 1 309 . 1 1 87 87 GLU H H 1 9.338 0.02 . 1 . . . . 165 GLU HN . 19686 1 310 . 1 1 87 87 GLU CA C 13 57.314 0.2 . 1 . . . . 165 GLU CA . 19686 1 311 . 1 1 87 87 GLU CB C 13 27.665 0.2 . 1 . . . . 165 GLU CB . 19686 1 312 . 1 1 87 87 GLU N N 15 125.395 0.2 . 1 . . . . 165 GLU N . 19686 1 313 . 1 1 88 88 GLY H H 1 8.22 0.02 . 1 . . . . 166 GLY HN . 19686 1 314 . 1 1 88 88 GLY CA C 13 45.876 0.2 . 1 . . . . 166 GLY CA . 19686 1 315 . 1 1 88 88 GLY N N 15 102.088 0.2 . 1 . . . . 166 GLY N . 19686 1 316 . 1 1 89 89 ARG H H 1 7.884 0.02 . 1 . . . . 167 ARG HN . 19686 1 317 . 1 1 89 89 ARG CA C 13 55.486 0.2 . 1 . . . . 167 ARG CA . 19686 1 318 . 1 1 89 89 ARG CB C 13 32.279 0.2 . 1 . . . . 167 ARG CB . 19686 1 319 . 1 1 89 89 ARG N N 15 120.364 0.2 . 1 . . . . 167 ARG N . 19686 1 320 . 1 1 90 90 ARG H H 1 8.48 0.02 . 1 . . . . 168 ARG HN . 19686 1 321 . 1 1 90 90 ARG CA C 13 56.388 0.2 . 1 . . . . 168 ARG CA . 19686 1 322 . 1 1 90 90 ARG CB C 13 30.065 0.2 . 1 . . . . 168 ARG CB . 19686 1 323 . 1 1 90 90 ARG N N 15 123.299 0.2 . 1 . . . . 168 ARG N . 19686 1 324 . 1 1 91 91 VAL H H 1 9.05 0.02 . 1 . . . . 169 VAL HN . 19686 1 325 . 1 1 91 91 VAL CA C 13 62.365 0.2 . 1 . . . . 169 VAL CA . 19686 1 326 . 1 1 91 91 VAL CB C 13 33.566 0.2 . 1 . . . . 169 VAL CB . 19686 1 327 . 1 1 91 91 VAL N N 15 129.824 0.2 . 1 . . . . 169 VAL N . 19686 1 328 . 1 1 92 92 GLU H H 1 7.919 0.02 . 1 . . . . 170 GLU HN . 19686 1 329 . 1 1 92 92 GLU CA C 13 54.32 0.2 . 1 . . . . 170 GLU CA . 19686 1 330 . 1 1 92 92 GLU CB C 13 32.883 0.2 . 1 . . . . 170 GLU CB . 19686 1 331 . 1 1 92 92 GLU N N 15 122.842 0.2 . 1 . . . . 170 GLU N . 19686 1 332 . 1 1 93 93 VAL H H 1 8.895 0.02 . 1 . . . . 171 VAL HN . 19686 1 333 . 1 1 93 93 VAL CA C 13 61.657 0.2 . 1 . . . . 171 VAL CA . 19686 1 334 . 1 1 93 93 VAL CB C 13 34.496 0.2 . 1 . . . . 171 VAL CB . 19686 1 335 . 1 1 93 93 VAL N N 15 122.811 0.2 . 1 . . . . 171 VAL N . 19686 1 336 . 1 1 94 94 ASN H H 1 9.477 0.02 . 1 . . . . 172 ASN HN . 19686 1 337 . 1 1 94 94 ASN CA C 13 51.825 0.2 . 1 . . . . 172 ASN CA . 19686 1 338 . 1 1 94 94 ASN CB C 13 44.974 0.2 . 1 . . . . 172 ASN CB . 19686 1 339 . 1 1 94 94 ASN N N 15 124.677 0.2 . 1 . . . . 172 ASN N . 19686 1 340 . 1 1 95 95 LEU H H 1 9.06 0.02 . 1 . . . . 173 LEU HN . 19686 1 341 . 1 1 95 95 LEU CA C 13 56.982 0.2 . 1 . . . . 173 LEU CA . 19686 1 342 . 1 1 95 95 LEU CB C 13 41.881 0.2 . 1 . . . . 173 LEU CB . 19686 1 343 . 1 1 95 95 LEU N N 15 120.318 0.2 . 1 . . . . 173 LEU N . 19686 1 344 . 1 1 96 96 ALA H H 1 8.617 0.02 . 1 . . . . 174 ALA HN . 19686 1 345 . 1 1 96 96 ALA CA C 13 52.409 0.2 . 1 . . . . 174 ALA CA . 19686 1 346 . 1 1 96 96 ALA CB C 13 19.916 0.2 . 1 . . . . 174 ALA CB . 19686 1 347 . 1 1 96 96 ALA N N 15 125.272 0.2 . 1 . . . . 174 ALA N . 19686 1 348 . 1 1 97 97 THR H H 1 8.639 0.02 . 1 . . . . 175 THR HN . 19686 1 349 . 1 1 97 97 THR CA C 13 61.347 0.2 . 1 . . . . 175 THR CA . 19686 1 350 . 1 1 97 97 THR CB C 13 70.326 0.2 . 1 . . . . 175 THR CB . 19686 1 351 . 1 1 97 97 THR N N 15 116.483 0.2 . 1 . . . . 175 THR N . 19686 1 352 . 1 1 98 98 GLN H H 1 8.765 0.02 . 1 . . . . 176 GLN HN . 19686 1 353 . 1 1 98 98 GLN CA C 13 56.645 0.2 . 1 . . . . 176 GLN CA . 19686 1 354 . 1 1 98 98 GLN CB C 13 29.913 0.2 . 1 . . . . 176 GLN CB . 19686 1 355 . 1 1 98 98 GLN N N 15 123.968 0.2 . 1 . . . . 176 GLN N . 19686 1 356 . 1 1 99 99 ARG H H 1 8.028 0.02 . 1 . . . . 177 ARG HN . 19686 1 357 . 1 1 99 99 ARG CA C 13 58.029 0.2 . 1 . . . . 177 ARG CA . 19686 1 358 . 1 1 99 99 ARG CB C 13 31.809 0.2 . 1 . . . . 177 ARG CB . 19686 1 359 . 1 1 99 99 ARG N N 15 128.024 0.2 . 1 . . . . 177 ARG N . 19686 1 stop_ save_