################################### # 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_CH2_wt _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode CH2_wt _Assigned_chem_shift_list.Entry_ID 27584 _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' . . . 27584 1 2 '3D HNCA' . . . 27584 1 3 '3D HNCACB' . . . 27584 1 4 '3D HBHA(CO)NH' . . . 27584 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 $CCPNMR_Analysis . . 27584 1 2 $TOPSPIN . . 27584 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.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 SER CA C 13 55.247 0.098 . 1 . . . . . 4 SER CA . 27584 1 2 . 1 1 2 2 SER CB C 13 62.915 0.182 . 1 . . . . . 4 SER CB . 27584 1 3 . 1 1 3 3 VAL H H 1 8.009 0.025 . 1 . . . . . 5 VAL H . 27584 1 4 . 1 1 3 3 VAL CA C 13 58.058 0.181 . 1 . . . . . 5 VAL CA . 27584 1 5 . 1 1 3 3 VAL CB C 13 31.436 0.039 . 1 . . . . . 5 VAL CB . 27584 1 6 . 1 1 3 3 VAL N N 15 122.296 0.073 . 1 . . . . . 5 VAL N . 27584 1 7 . 1 1 4 4 PHE H H 1 9.259 0.006 . 1 . . . . . 6 PHE H . 27584 1 8 . 1 1 4 4 PHE CA C 13 53.446 0.011 . 1 . . . . . 6 PHE CA . 27584 1 9 . 1 1 4 4 PHE CB C 13 41.311 0.000 . 1 . . . . . 6 PHE CB . 27584 1 10 . 1 1 4 4 PHE N N 15 124.528 0.042 . 1 . . . . . 6 PHE N . 27584 1 11 . 1 1 5 5 ILE CA C 13 55.842 0.146 . 1 . . . . . 7 ILE CA . 27584 1 12 . 1 1 5 5 ILE CB C 13 40.470 0.007 . 1 . . . . . 7 ILE CB . 27584 1 13 . 1 1 6 6 PHE H H 1 9.237 0.005 . 1 . . . . . 8 PHE H . 27584 1 14 . 1 1 6 6 PHE CA C 13 51.709 0.093 . 1 . . . . . 8 PHE CA . 27584 1 15 . 1 1 6 6 PHE CB C 13 38.262 0.000 . 1 . . . . . 8 PHE CB . 27584 1 16 . 1 1 6 6 PHE N N 15 123.985 0.030 . 1 . . . . . 8 PHE N . 27584 1 17 . 1 1 8 8 PRO CA C 13 59.719 0.078 . 1 . . . . . 10 PRO CA . 27584 1 18 . 1 1 8 8 PRO CB C 13 29.443 0.000 . 1 . . . . . 10 PRO CB . 27584 1 19 . 1 1 9 9 LYS H H 1 8.751 0.001 . 1 . . . . . 11 LYS H . 27584 1 20 . 1 1 9 9 LYS CA C 13 54.555 0.003 . 1 . . . . . 11 LYS CA . 27584 1 21 . 1 1 9 9 LYS CB C 13 28.290 0.000 . 1 . . . . . 11 LYS CB . 27584 1 22 . 1 1 9 9 LYS N N 15 123.316 0.009 . 1 . . . . . 11 LYS N . 27584 1 23 . 1 1 14 14 LEU CA C 13 50.470 0.118 . 1 . . . . . 16 LEU CA . 27584 1 24 . 1 1 15 15 THR H H 1 8.139 0.004 . 1 . . . . . 17 THR H . 27584 1 25 . 1 1 15 15 THR CA C 13 57.182 0.148 . 1 . . . . . 17 THR CA . 27584 1 26 . 1 1 15 15 THR N N 15 112.498 0.021 . 1 . . . . . 17 THR N . 27584 1 27 . 1 1 16 16 ILE H H 1 9.087 0.002 . 1 . . . . . 18 ILE H . 27584 1 28 . 1 1 16 16 ILE CA C 13 59.866 0.151 . 1 . . . . . 18 ILE CA . 27584 1 29 . 1 1 16 16 ILE CB C 13 39.093 0.000 . 1 . . . . . 18 ILE CB . 27584 1 30 . 1 1 16 16 ILE N N 15 129.361 0.062 . 1 . . . . . 18 ILE N . 27584 1 31 . 1 1 18 18 LEU H H 1 7.725 0.010 . 1 . . . . . 20 LEU H . 27584 1 32 . 1 1 18 18 LEU CA C 13 51.222 0.099 . 1 . . . . . 20 LEU CA . 27584 1 33 . 1 1 18 18 LEU CB C 13 39.503 0.184 . 1 . . . . . 20 LEU CB . 27584 1 34 . 1 1 18 18 LEU N N 15 123.603 0.064 . 1 . . . . . 20 LEU N . 27584 1 35 . 1 1 19 19 THR H H 1 8.250 0.005 . 1 . . . . . 21 THR H . 27584 1 36 . 1 1 19 19 THR CA C 13 56.501 0.021 . 1 . . . . . 21 THR CA . 27584 1 37 . 1 1 19 19 THR N N 15 115.579 0.052 . 1 . . . . . 21 THR N . 27584 1 38 . 1 1 20 20 PRO CA C 13 58.749 0.095 . 1 . . . . . 22 PRO CA . 27584 1 39 . 1 1 20 20 PRO CB C 13 28.756 0.022 . 1 . . . . . 22 PRO CB . 27584 1 40 . 1 1 21 21 LYS H H 1 8.075 0.007 . 1 . . . . . 23 LYS H . 27584 1 41 . 1 1 21 21 LYS CA C 13 51.320 0.141 . 1 . . . . . 23 LYS CA . 27584 1 42 . 1 1 21 21 LYS CB C 13 32.811 0.143 . 1 . . . . . 23 LYS CB . 27584 1 43 . 1 1 21 21 LYS N N 15 117.755 0.030 . 1 . . . . . 23 LYS N . 27584 1 44 . 1 1 22 22 VAL H H 1 8.115 0.014 . 1 . . . . . 24 VAL H . 27584 1 45 . 1 1 22 22 VAL CA C 13 58.686 0.091 . 1 . . . . . 24 VAL CA . 27584 1 46 . 1 1 22 22 VAL CB C 13 29.695 0.000 . 1 . . . . . 24 VAL CB . 27584 1 47 . 1 1 22 22 VAL N N 15 122.587 0.140 . 1 . . . . . 24 VAL N . 27584 1 48 . 1 1 23 23 THR H H 1 8.055 0.007 . 1 . . . . . 25 THR H . 27584 1 49 . 1 1 23 23 THR CA C 13 59.537 0.133 . 1 . . . . . 25 THR CA . 27584 1 50 . 1 1 23 23 THR CB C 13 68.108 0.000 . 1 . . . . . 25 THR CB . 27584 1 51 . 1 1 23 23 THR N N 15 120.903 0.015 . 1 . . . . . 25 THR N . 27584 1 52 . 1 1 24 24 CYS H H 1 9.777 0.005 . 1 . . . . . 26 CYS H . 27584 1 53 . 1 1 24 24 CYS CA C 13 51.195 0.085 . 1 . . . . . 26 CYS CA . 27584 1 54 . 1 1 24 24 CYS CB C 13 41.869 0.152 . 1 . . . . . 26 CYS CB . 27584 1 55 . 1 1 24 24 CYS N N 15 127.997 0.022 . 1 . . . . . 26 CYS N . 27584 1 56 . 1 1 25 25 VAL H H 1 9.436 0.004 . 1 . . . . . 27 VAL H . 27584 1 57 . 1 1 25 25 VAL CA C 13 57.731 0.081 . 1 . . . . . 27 VAL CA . 27584 1 58 . 1 1 25 25 VAL CB C 13 33.309 0.000 . 1 . . . . . 27 VAL CB . 27584 1 59 . 1 1 25 25 VAL N N 15 124.492 0.040 . 1 . . . . . 27 VAL N . 27584 1 60 . 1 1 27 27 VAL H H 1 8.841 0.000 . 1 . . . . . 29 VAL H . 27584 1 61 . 1 1 27 27 VAL N N 15 117.535 0.000 . 1 . . . . . 29 VAL N . 27584 1 62 . 1 1 31 31 LYS CA C 13 56.783 0.000 . 1 . . . . . 33 LYS CA . 27584 1 63 . 1 1 31 31 LYS CB C 13 29.645 0.000 . 1 . . . . . 33 LYS CB . 27584 1 64 . 1 1 32 32 ASP H H 1 8.004 0.004 . 1 . . . . . 34 ASP H . 27584 1 65 . 1 1 32 32 ASP CA C 13 51.397 0.072 . 1 . . . . . 34 ASP CA . 27584 1 66 . 1 1 32 32 ASP CB C 13 38.177 0.000 . 1 . . . . . 34 ASP CB . 27584 1 67 . 1 1 32 32 ASP N N 15 114.881 0.146 . 1 . . . . . 34 ASP N . 27584 1 68 . 1 1 33 33 ASP H H 1 7.485 0.004 . 1 . . . . . 35 ASP H . 27584 1 69 . 1 1 33 33 ASP CA C 13 50.690 0.000 . 1 . . . . . 35 ASP CA . 27584 1 70 . 1 1 33 33 ASP N N 15 122.413 0.008 . 1 . . . . . 35 ASP N . 27584 1 71 . 1 1 34 34 PRO CA C 13 59.180 0.022 . 1 . . . . . 36 PRO CA . 27584 1 72 . 1 1 34 34 PRO CB C 13 29.446 0.199 . 1 . . . . . 36 PRO CB . 27584 1 73 . 1 1 35 35 GLU H H 1 8.356 0.007 . 1 . . . . . 37 GLU H . 27584 1 74 . 1 1 35 35 GLU CA C 13 54.216 0.117 . 1 . . . . . 37 GLU CA . 27584 1 75 . 1 1 35 35 GLU CB C 13 27.335 0.031 . 1 . . . . . 37 GLU CB . 27584 1 76 . 1 1 35 35 GLU N N 15 120.041 0.063 . 1 . . . . . 37 GLU N . 27584 1 77 . 1 1 36 36 VAL H H 1 8.001 0.007 . 1 . . . . . 38 VAL H . 27584 1 78 . 1 1 36 36 VAL CA C 13 57.856 0.092 . 1 . . . . . 38 VAL CA . 27584 1 79 . 1 1 36 36 VAL CB C 13 29.602 0.043 . 1 . . . . . 38 VAL CB . 27584 1 80 . 1 1 36 36 VAL N N 15 119.050 0.047 . 1 . . . . . 38 VAL N . 27584 1 81 . 1 1 37 37 GLN H H 1 8.455 0.004 . 1 . . . . . 39 GLN H . 27584 1 82 . 1 1 37 37 GLN CA C 13 51.761 0.024 . 1 . . . . . 39 GLN CA . 27584 1 83 . 1 1 37 37 GLN CB C 13 28.014 0.115 . 1 . . . . . 39 GLN CB . 27584 1 84 . 1 1 37 37 GLN N N 15 121.713 0.025 . 1 . . . . . 39 GLN N . 27584 1 85 . 1 1 38 38 PHE H H 1 8.967 0.019 . 1 . . . . . 40 PHE H . 27584 1 86 . 1 1 38 38 PHE CA C 13 55.113 0.091 . 1 . . . . . 40 PHE CA . 27584 1 87 . 1 1 38 38 PHE CB C 13 38.689 0.185 . 1 . . . . . 40 PHE CB . 27584 1 88 . 1 1 38 38 PHE N N 15 123.513 0.162 . 1 . . . . . 40 PHE N . 27584 1 89 . 1 1 39 39 SER H H 1 9.299 0.005 . 1 . . . . . 41 SER H . 27584 1 90 . 1 1 39 39 SER CA C 13 54.877 0.109 . 1 . . . . . 41 SER CA . 27584 1 91 . 1 1 39 39 SER CB C 13 62.284 0.265 . 1 . . . . . 41 SER CB . 27584 1 92 . 1 1 39 39 SER N N 15 119.256 0.009 . 1 . . . . . 41 SER N . 27584 1 93 . 1 1 40 40 TRP H H 1 8.615 0.005 . 1 . . . . . 42 TRP H . 27584 1 94 . 1 1 40 40 TRP CA C 13 53.232 0.096 . 1 . . . . . 42 TRP CA . 27584 1 95 . 1 1 40 40 TRP CB C 13 32.311 0.114 . 1 . . . . . 42 TRP CB . 27584 1 96 . 1 1 40 40 TRP N N 15 123.143 0.033 . 1 . . . . . 42 TRP N . 27584 1 97 . 1 1 41 41 PHE H H 1 9.301 0.010 . 1 . . . . . 43 PHE H . 27584 1 98 . 1 1 41 41 PHE CA C 13 52.950 0.106 . 1 . . . . . 43 PHE CA . 27584 1 99 . 1 1 41 41 PHE CB C 13 40.419 0.160 . 1 . . . . . 43 PHE CB . 27584 1 100 . 1 1 41 41 PHE N N 15 116.958 0.122 . 1 . . . . . 43 PHE N . 27584 1 101 . 1 1 42 42 VAL H H 1 8.736 0.003 . 1 . . . . . 44 VAL H . 27584 1 102 . 1 1 42 42 VAL CA C 13 58.445 0.184 . 1 . . . . . 44 VAL CA . 27584 1 103 . 1 1 42 42 VAL CB C 13 30.131 0.105 . 1 . . . . . 44 VAL CB . 27584 1 104 . 1 1 42 42 VAL N N 15 121.639 0.010 . 1 . . . . . 44 VAL N . 27584 1 105 . 1 1 43 43 ASP H H 1 9.774 0.004 . 1 . . . . . 45 ASP H . 27584 1 106 . 1 1 43 43 ASP CA C 13 53.702 0.187 . 1 . . . . . 45 ASP CA . 27584 1 107 . 1 1 43 43 ASP CB C 13 36.865 0.215 . 1 . . . . . 45 ASP CB . 27584 1 108 . 1 1 43 43 ASP N N 15 132.030 0.028 . 1 . . . . . 45 ASP N . 27584 1 109 . 1 1 44 44 ASP H H 1 9.291 0.003 . 1 . . . . . 46 ASP H . 27584 1 110 . 1 1 44 44 ASP CA C 13 54.165 0.079 . 1 . . . . . 46 ASP CA . 27584 1 111 . 1 1 44 44 ASP CB C 13 37.506 0.191 . 1 . . . . . 46 ASP CB . 27584 1 112 . 1 1 44 44 ASP N N 15 109.689 0.042 . 1 . . . . . 46 ASP N . 27584 1 113 . 1 1 45 45 VAL H H 1 7.926 0.005 . 1 . . . . . 47 VAL H . 27584 1 114 . 1 1 45 45 VAL CA C 13 59.625 0.066 . 1 . . . . . 47 VAL CA . 27584 1 115 . 1 1 45 45 VAL CB C 13 30.162 0.014 . 1 . . . . . 47 VAL CB . 27584 1 116 . 1 1 45 45 VAL N N 15 122.745 0.025 . 1 . . . . . 47 VAL N . 27584 1 117 . 1 1 46 46 GLU H H 1 8.841 0.002 . 1 . . . . . 48 GLU H . 27584 1 118 . 1 1 46 46 GLU CA C 13 54.362 0.045 . 1 . . . . . 48 GLU CA . 27584 1 119 . 1 1 46 46 GLU CB C 13 26.181 0.069 . 1 . . . . . 48 GLU CB . 27584 1 120 . 1 1 46 46 GLU N N 15 129.774 0.015 . 1 . . . . . 48 GLU N . 27584 1 121 . 1 1 47 47 VAL H H 1 8.150 0.007 . 1 . . . . . 49 VAL H . 27584 1 122 . 1 1 47 47 VAL CA C 13 56.836 0.007 . 1 . . . . . 49 VAL CA . 27584 1 123 . 1 1 47 47 VAL CB C 13 32.169 0.000 . 1 . . . . . 49 VAL CB . 27584 1 124 . 1 1 47 47 VAL N N 15 119.336 0.025 . 1 . . . . . 49 VAL N . 27584 1 125 . 1 1 48 48 HIS H H 1 8.792 0.005 . 1 . . . . . 50 HIS H . 27584 1 126 . 1 1 48 48 HIS CA C 13 54.574 0.169 . 1 . . . . . 50 HIS CA . 27584 1 127 . 1 1 48 48 HIS CB C 13 28.341 0.099 . 1 . . . . . 50 HIS CB . 27584 1 128 . 1 1 48 48 HIS N N 15 120.947 0.031 . 1 . . . . . 50 HIS N . 27584 1 129 . 1 1 49 49 THR H H 1 7.050 0.005 . 1 . . . . . 51 THR H . 27584 1 130 . 1 1 49 49 THR CA C 13 58.335 0.114 . 1 . . . . . 51 THR CA . 27584 1 131 . 1 1 49 49 THR CB C 13 65.150 0.264 . 1 . . . . . 51 THR CB . 27584 1 132 . 1 1 49 49 THR N N 15 107.181 0.030 . 1 . . . . . 51 THR N . 27584 1 133 . 1 1 50 50 ALA H H 1 8.062 0.010 . 1 . . . . . 52 ALA H . 27584 1 134 . 1 1 50 50 ALA CA C 13 50.409 0.136 . 1 . . . . . 52 ALA CA . 27584 1 135 . 1 1 50 50 ALA CB C 13 17.684 0.021 . 1 . . . . . 52 ALA CB . 27584 1 136 . 1 1 50 50 ALA N N 15 123.202 0.045 . 1 . . . . . 52 ALA N . 27584 1 137 . 1 1 51 51 GLN H H 1 8.571 0.005 . 1 . . . . . 53 GLN H . 27584 1 138 . 1 1 51 51 GLN CA C 13 51.757 0.091 . 1 . . . . . 53 GLN CA . 27584 1 139 . 1 1 51 51 GLN CB C 13 27.601 0.019 . 1 . . . . . 53 GLN CB . 27584 1 140 . 1 1 51 51 GLN N N 15 119.484 0.017 . 1 . . . . . 53 GLN N . 27584 1 141 . 1 1 52 52 THR H H 1 9.011 0.004 . 1 . . . . . 54 THR H . 27584 1 142 . 1 1 52 52 THR CA C 13 59.532 0.105 . 1 . . . . . 54 THR CA . 27584 1 143 . 1 1 52 52 THR CB C 13 67.613 0.117 . 1 . . . . . 54 THR CB . 27584 1 144 . 1 1 52 52 THR N N 15 125.692 0.048 . 1 . . . . . 54 THR N . 27584 1 145 . 1 1 53 53 GLN H H 1 8.891 0.003 . 1 . . . . . 55 GLN H . 27584 1 146 . 1 1 53 53 GLN CA C 13 50.804 0.026 . 1 . . . . . 55 GLN CA . 27584 1 147 . 1 1 53 53 GLN CB C 13 25.743 0.000 . 1 . . . . . 55 GLN CB . 27584 1 148 . 1 1 53 53 GLN N N 15 128.736 0.034 . 1 . . . . . 55 GLN N . 27584 1 149 . 1 1 56 56 GLU CA C 13 51.937 0.097 . 1 . . . . . 58 GLU CA . 27584 1 150 . 1 1 56 56 GLU CB C 13 30.712 0.000 . 1 . . . . . 58 GLU CB . 27584 1 151 . 1 1 57 57 GLU H H 1 9.183 0.002 . 1 . . . . . 59 GLU H . 27584 1 152 . 1 1 57 57 GLU CA C 13 54.804 0.079 . 1 . . . . . 59 GLU CA . 27584 1 153 . 1 1 57 57 GLU CB C 13 27.166 0.128 . 1 . . . . . 59 GLU CB . 27584 1 154 . 1 1 57 57 GLU N N 15 130.192 0.026 . 1 . . . . . 59 GLU N . 27584 1 155 . 1 1 58 58 GLN H H 1 8.769 0.003 . 1 . . . . . 60 GLN H . 27584 1 156 . 1 1 58 58 GLN CA C 13 51.133 0.049 . 1 . . . . . 60 GLN CA . 27584 1 157 . 1 1 58 58 GLN CB C 13 27.684 0.000 . 1 . . . . . 60 GLN CB . 27584 1 158 . 1 1 58 58 GLN N N 15 124.428 0.032 . 1 . . . . . 60 GLN N . 27584 1 159 . 1 1 59 59 PHE CA C 13 56.513 0.023 . 1 . . . . . 61 PHE CA . 27584 1 160 . 1 1 59 59 PHE CB C 13 35.990 0.000 . 1 . . . . . 61 PHE CB . 27584 1 161 . 1 1 60 60 ASN H H 1 7.696 0.005 . 1 . . . . . 62 ASN H . 27584 1 162 . 1 1 60 60 ASN CA C 13 49.604 0.064 . 1 . . . . . 62 ASN CA . 27584 1 163 . 1 1 60 60 ASN CB C 13 34.225 0.000 . 1 . . . . . 62 ASN CB . 27584 1 164 . 1 1 60 60 ASN N N 15 117.316 0.035 . 1 . . . . . 62 ASN N . 27584 1 165 . 1 1 61 61 SER H H 1 8.121 0.010 . 1 . . . . . 63 SER H . 27584 1 166 . 1 1 61 61 SER CA C 13 57.821 0.118 . 1 . . . . . 63 SER CA . 27584 1 167 . 1 1 61 61 SER CB C 13 58.760 0.303 . 1 . . . . . 63 SER CB . 27584 1 168 . 1 1 61 61 SER N N 15 109.642 0.026 . 1 . . . . . 63 SER N . 27584 1 169 . 1 1 62 62 THR H H 1 6.942 0.003 . 1 . . . . . 64 THR H . 27584 1 170 . 1 1 62 62 THR CA C 13 58.162 0.169 . 1 . . . . . 64 THR CA . 27584 1 171 . 1 1 62 62 THR N N 15 108.610 0.008 . 1 . . . . . 64 THR N . 27584 1 172 . 1 1 63 63 PHE H H 1 9.349 0.004 . 1 . . . . . 65 PHE H . 27584 1 173 . 1 1 63 63 PHE CA C 13 54.465 0.138 . 1 . . . . . 65 PHE CA . 27584 1 174 . 1 1 63 63 PHE CB C 13 40.074 0.110 . 1 . . . . . 65 PHE CB . 27584 1 175 . 1 1 63 63 PHE N N 15 116.493 0.027 . 1 . . . . . 65 PHE N . 27584 1 176 . 1 1 64 64 ARG H H 1 8.736 0.005 . 1 . . . . . 66 ARG H . 27584 1 177 . 1 1 64 64 ARG CA C 13 51.284 0.081 . 1 . . . . . 66 ARG CA . 27584 1 178 . 1 1 64 64 ARG CB C 13 32.355 0.073 . 1 . . . . . 66 ARG CB . 27584 1 179 . 1 1 64 64 ARG N N 15 118.789 0.047 . 1 . . . . . 66 ARG N . 27584 1 180 . 1 1 65 65 SER H H 1 9.213 0.004 . 1 . . . . . 67 SER H . 27584 1 181 . 1 1 65 65 SER CA C 13 56.921 0.053 . 1 . . . . . 67 SER CA . 27584 1 182 . 1 1 65 65 SER CB C 13 64.217 0.555 . 1 . . . . . 67 SER CB . 27584 1 183 . 1 1 65 65 SER N N 15 121.726 0.016 . 1 . . . . . 67 SER N . 27584 1 184 . 1 1 66 66 VAL H H 1 8.112 0.006 . 1 . . . . . 68 VAL H . 27584 1 185 . 1 1 66 66 VAL CA C 13 58.548 0.199 . 1 . . . . . 68 VAL CA . 27584 1 186 . 1 1 66 66 VAL CB C 13 32.419 0.079 . 1 . . . . . 68 VAL CB . 27584 1 187 . 1 1 66 66 VAL N N 15 124.783 0.022 . 1 . . . . . 68 VAL N . 27584 1 188 . 1 1 67 67 SER H H 1 8.783 0.005 . 1 . . . . . 69 SER H . 27584 1 189 . 1 1 67 67 SER CA C 13 53.750 0.012 . 1 . . . . . 69 SER CA . 27584 1 190 . 1 1 67 67 SER CB C 13 60.258 0.460 . 1 . . . . . 69 SER CB . 27584 1 191 . 1 1 67 67 SER N N 15 120.538 0.022 . 1 . . . . . 69 SER N . 27584 1 192 . 1 1 68 68 GLU H H 1 8.420 0.008 . 1 . . . . . 70 GLU H . 27584 1 193 . 1 1 68 68 GLU CA C 13 51.270 0.052 . 1 . . . . . 70 GLU CA . 27584 1 194 . 1 1 68 68 GLU CB C 13 30.816 0.170 . 1 . . . . . 70 GLU CB . 27584 1 195 . 1 1 68 68 GLU N N 15 125.600 0.085 . 1 . . . . . 70 GLU N . 27584 1 196 . 1 1 69 69 LEU H H 1 8.839 0.004 . 1 . . . . . 71 LEU H . 27584 1 197 . 1 1 69 69 LEU CA C 13 47.921 0.018 . 1 . . . . . 71 LEU CA . 27584 1 198 . 1 1 69 69 LEU CB C 13 39.468 0.000 . 1 . . . . . 71 LEU CB . 27584 1 199 . 1 1 69 69 LEU N N 15 127.605 0.032 . 1 . . . . . 71 LEU N . 27584 1 200 . 1 1 70 70 PRO CA C 13 60.185 0.154 . 1 . . . . . 72 PRO CA . 27584 1 201 . 1 1 70 70 PRO CB C 13 29.360 0.000 . 1 . . . . . 72 PRO CB . 27584 1 202 . 1 1 71 71 ILE H H 1 8.505 0.004 . 1 . . . . . 73 ILE H . 27584 1 203 . 1 1 71 71 ILE CA C 13 57.579 0.069 . 1 . . . . . 73 ILE CA . 27584 1 204 . 1 1 71 71 ILE CB C 13 37.592 0.107 . 1 . . . . . 73 ILE CB . 27584 1 205 . 1 1 71 71 ILE N N 15 122.887 0.017 . 1 . . . . . 73 ILE N . 27584 1 206 . 1 1 72 72 MET H H 1 8.436 0.006 . 1 . . . . . 74 MET H . 27584 1 207 . 1 1 72 72 MET CA C 13 51.123 0.008 . 1 . . . . . 74 MET CA . 27584 1 208 . 1 1 72 72 MET CB C 13 30.345 0.000 . 1 . . . . . 74 MET CB . 27584 1 209 . 1 1 72 72 MET N N 15 124.264 0.032 . 1 . . . . . 74 MET N . 27584 1 210 . 1 1 78 78 ASN H H 1 7.979 0.006 . 1 . . . . . 80 ASN H . 27584 1 211 . 1 1 78 78 ASN CA C 13 50.206 0.046 . 1 . . . . . 80 ASN CA . 27584 1 212 . 1 1 78 78 ASN CB C 13 35.832 0.000 . 1 . . . . . 80 ASN CB . 27584 1 213 . 1 1 78 78 ASN N N 15 114.498 0.096 . 1 . . . . . 80 ASN N . 27584 1 214 . 1 1 79 79 GLY H H 1 7.664 0.006 . 1 . . . . . 81 GLY H . 27584 1 215 . 1 1 79 79 GLY CA C 13 44.294 0.006 . 1 . . . . . 81 GLY CA . 27584 1 216 . 1 1 79 79 GLY N N 15 108.712 0.090 . 1 . . . . . 81 GLY N . 27584 1 217 . 1 1 81 81 GLU CA C 13 52.918 0.059 . 1 . . . . . 83 GLU CA . 27584 1 218 . 1 1 81 81 GLU CB C 13 29.185 0.000 . 1 . . . . . 83 GLU CB . 27584 1 219 . 1 1 82 82 PHE H H 1 9.143 0.007 . 1 . . . . . 84 PHE H . 27584 1 220 . 1 1 82 82 PHE CA C 13 55.054 0.066 . 1 . . . . . 84 PHE CA . 27584 1 221 . 1 1 82 82 PHE CB C 13 38.216 0.000 . 1 . . . . . 84 PHE CB . 27584 1 222 . 1 1 82 82 PHE N N 15 128.231 0.021 . 1 . . . . . 84 PHE N . 27584 1 223 . 1 1 83 83 LYS H H 1 9.276 0.004 . 1 . . . . . 85 LYS H . 27584 1 224 . 1 1 83 83 LYS CA C 13 51.726 0.127 . 1 . . . . . 85 LYS CA . 27584 1 225 . 1 1 83 83 LYS CB C 13 34.180 0.068 . 1 . . . . . 85 LYS CB . 27584 1 226 . 1 1 83 83 LYS N N 15 123.379 0.024 . 1 . . . . . 85 LYS N . 27584 1 227 . 1 1 84 84 CYS H H 1 8.767 0.005 . 1 . . . . . 86 CYS H . 27584 1 228 . 1 1 84 84 CYS CA C 13 49.771 0.071 . 1 . . . . . 86 CYS CA . 27584 1 229 . 1 1 84 84 CYS CB C 13 41.305 0.185 . 1 . . . . . 86 CYS CB . 27584 1 230 . 1 1 84 84 CYS N N 15 125.010 0.031 . 1 . . . . . 86 CYS N . 27584 1 231 . 1 1 85 85 ARG H H 1 9.210 0.004 . 1 . . . . . 87 ARG H . 27584 1 232 . 1 1 85 85 ARG CA C 13 51.126 0.075 . 1 . . . . . 87 ARG CA . 27584 1 233 . 1 1 85 85 ARG CB C 13 30.952 0.000 . 1 . . . . . 87 ARG CB . 27584 1 234 . 1 1 85 85 ARG N N 15 127.324 0.012 . 1 . . . . . 87 ARG N . 27584 1 235 . 1 1 86 86 VAL CA C 13 57.347 0.005 . 1 . . . . . 88 VAL CA . 27584 1 236 . 1 1 86 86 VAL CB C 13 31.182 0.000 . 1 . . . . . 88 VAL CB . 27584 1 237 . 1 1 87 87 ASN H H 1 8.350 0.006 . 1 . . . . . 89 ASN H . 27584 1 238 . 1 1 87 87 ASN CA C 13 48.082 0.086 . 1 . . . . . 89 ASN CA . 27584 1 239 . 1 1 87 87 ASN CB C 13 39.711 0.182 . 1 . . . . . 89 ASN CB . 27584 1 240 . 1 1 87 87 ASN N N 15 121.631 0.026 . 1 . . . . . 89 ASN N . 27584 1 241 . 1 1 88 88 SER H H 1 7.727 0.006 . 1 . . . . . 90 SER H . 27584 1 242 . 1 1 88 88 SER CA C 13 53.959 0.084 . 1 . . . . . 90 SER CA . 27584 1 243 . 1 1 88 88 SER CB C 13 61.563 0.014 . 1 . . . . . 90 SER CB . 27584 1 244 . 1 1 88 88 SER N N 15 114.276 0.046 . 1 . . . . . 90 SER N . 27584 1 245 . 1 1 89 89 ALA H H 1 8.954 0.010 . 1 . . . . . 91 ALA H . 27584 1 246 . 1 1 89 89 ALA CA C 13 51.463 0.086 . 1 . . . . . 91 ALA CA . 27584 1 247 . 1 1 89 89 ALA CB C 13 15.542 0.000 . 1 . . . . . 91 ALA CB . 27584 1 248 . 1 1 89 89 ALA N N 15 126.998 0.008 . 1 . . . . . 91 ALA N . 27584 1 249 . 1 1 90 90 ALA H H 1 7.914 0.019 . 1 . . . . . 92 ALA H . 27584 1 250 . 1 1 90 90 ALA CA C 13 49.401 0.031 . 1 . . . . . 92 ALA CA . 27584 1 251 . 1 1 90 90 ALA CB C 13 16.741 0.094 . 1 . . . . . 92 ALA CB . 27584 1 252 . 1 1 90 90 ALA N N 15 117.227 0.066 . 1 . . . . . 92 ALA N . 27584 1 253 . 1 1 91 91 PHE H H 1 7.484 0.005 . 1 . . . . . 93 PHE H . 27584 1 254 . 1 1 91 91 PHE CA C 13 50.101 0.083 . 1 . . . . . 93 PHE CA . 27584 1 255 . 1 1 91 91 PHE CB C 13 34.738 0.000 . 1 . . . . . 93 PHE CB . 27584 1 256 . 1 1 91 91 PHE N N 15 119.844 0.017 . 1 . . . . . 93 PHE N . 27584 1 257 . 1 1 92 92 PRO CA C 13 61.469 0.100 . 1 . . . . . 94 PRO CA . 27584 1 258 . 1 1 92 92 PRO CB C 13 29.052 0.000 . 1 . . . . . 94 PRO CB . 27584 1 259 . 1 1 93 93 ALA H H 1 7.314 0.003 . 1 . . . . . 95 ALA H . 27584 1 260 . 1 1 93 93 ALA CA C 13 47.447 0.036 . 1 . . . . . 95 ALA CA . 27584 1 261 . 1 1 93 93 ALA CB C 13 17.029 0.000 . 1 . . . . . 95 ALA CB . 27584 1 262 . 1 1 93 93 ALA N N 15 118.157 0.033 . 1 . . . . . 95 ALA N . 27584 1 263 . 1 1 94 94 PRO CA C 13 60.089 0.297 . 1 . . . . . 96 PRO CA . 27584 1 264 . 1 1 94 94 PRO CB C 13 29.109 0.151 . 1 . . . . . 96 PRO CB . 27584 1 265 . 1 1 95 95 ILE H H 1 8.123 0.002 . 1 . . . . . 97 ILE H . 27584 1 266 . 1 1 95 95 ILE CA C 13 58.474 0.141 . 1 . . . . . 97 ILE CA . 27584 1 267 . 1 1 95 95 ILE CB C 13 36.050 0.027 . 1 . . . . . 97 ILE CB . 27584 1 268 . 1 1 95 95 ILE N N 15 121.080 0.027 . 1 . . . . . 97 ILE N . 27584 1 269 . 1 1 96 96 GLU H H 1 8.399 0.008 . 1 . . . . . 98 GLU H . 27584 1 270 . 1 1 96 96 GLU CA C 13 53.654 0.132 . 1 . . . . . 98 GLU CA . 27584 1 271 . 1 1 96 96 GLU CB C 13 27.576 0.082 . 1 . . . . . 98 GLU CB . 27584 1 272 . 1 1 96 96 GLU N N 15 125.099 0.177 . 1 . . . . . 98 GLU N . 27584 1 273 . 1 1 97 97 LYS H H 1 8.303 0.003 . 1 . . . . . 99 LYS H . 27584 1 274 . 1 1 97 97 LYS CA C 13 53.467 0.067 . 1 . . . . . 99 LYS CA . 27584 1 275 . 1 1 97 97 LYS CB C 13 30.440 0.147 . 1 . . . . . 99 LYS CB . 27584 1 276 . 1 1 97 97 LYS N N 15 123.206 0.042 . 1 . . . . . 99 LYS N . 27584 1 277 . 1 1 98 98 THR H H 1 8.238 0.002 . 1 . . . . . 100 THR H . 27584 1 278 . 1 1 98 98 THR CA C 13 59.228 0.061 . 1 . . . . . 100 THR CA . 27584 1 279 . 1 1 98 98 THR CB C 13 67.277 0.000 . 1 . . . . . 100 THR CB . 27584 1 280 . 1 1 98 98 THR N N 15 117.000 0.028 . 1 . . . . . 100 THR N . 27584 1 281 . 1 1 99 99 ILE H H 1 7.697 0.004 . 1 . . . . . 101 ILE H . 27584 1 282 . 1 1 99 99 ILE CA C 13 60.105 0.126 . 1 . . . . . 101 ILE CA . 27584 1 283 . 1 1 99 99 ILE CB C 13 36.668 0.000 . 1 . . . . . 101 ILE CB . 27584 1 284 . 1 1 99 99 ILE N N 15 127.368 0.024 . 1 . . . . . 101 ILE N . 27584 1 stop_ save_