################################### # 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 16257 _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 3 '3D HNCO' . . . 16257 1 4 '3D HCACO' . . . 16257 1 9 '3D HNCACB' . . . 16257 1 10 '3D HN(CO)CA' . . . 16257 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 $CCP-NMR . . 16257 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 12 12 GLY H H 1 8.521 0.000 . 1 . . . . 12 GLY H . 16257 1 2 . 1 1 12 12 GLY N N 15 110.191 0.018 . 1 . . . . 12 GLY N . 16257 1 3 . 1 1 13 13 MET H H 1 8.194 0.000 . 1 . . . . 13 MET H . 16257 1 4 . 1 1 16 16 TYR C C 13 175.295 0.000 . 1 . . . . 16 TYR C . 16257 1 5 . 1 1 16 16 TYR CA C 13 57.747 0.000 . 1 . . . . 16 TYR CA . 16257 1 6 . 1 1 17 17 LYS H H 1 8.378 0.004 . 1 . . . . 17 LYS H . 16257 1 7 . 1 1 17 17 LYS HA H 1 4.219 0.000 . 1 . . . . 17 LYS HA . 16257 1 8 . 1 1 17 17 LYS HB2 H 1 1.645 0.000 . 2 . . . . 17 LYS HB2 . 16257 1 9 . 1 1 17 17 LYS HB3 H 1 1.783 0.000 . 2 . . . . 17 LYS HB3 . 16257 1 10 . 1 1 17 17 LYS C C 13 176.329 0.000 . 1 . . . . 17 LYS C . 16257 1 11 . 1 1 17 17 LYS CA C 13 56.265 0.000 . 1 . . . . 17 LYS CA . 16257 1 12 . 1 1 17 17 LYS N N 15 125.120 0.023 . 1 . . . . 17 LYS N . 16257 1 13 . 1 1 18 18 GLY H H 1 7.861 0.003 . 1 . . . . 18 GLY H . 16257 1 14 . 1 1 18 18 GLY HA2 H 1 3.883 0.001 . 1 . . . . 18 GLY HA2 . 16257 1 15 . 1 1 18 18 GLY HA3 H 1 3.883 0.000 . 1 . . . . 18 GLY HA3 . 16257 1 16 . 1 1 18 18 GLY C C 13 173.562 0.000 . 1 . . . . 18 GLY C . 16257 1 17 . 1 1 18 18 GLY CA C 13 45.136 0.000 . 1 . . . . 18 GLY CA . 16257 1 18 . 1 1 18 18 GLY N N 15 109.203 0.050 . 1 . . . . 18 GLY N . 16257 1 19 . 1 1 19 19 VAL H H 1 8.037 0.003 . 1 . . . . 19 VAL H . 16257 1 20 . 1 1 19 19 VAL HA H 1 4.138 0.000 . 1 . . . . 19 VAL HA . 16257 1 21 . 1 1 19 19 VAL HB H 1 2.021 0.000 . 1 . . . . 19 VAL HB . 16257 1 22 . 1 1 19 19 VAL C C 13 176.201 0.000 . 1 . . . . 19 VAL C . 16257 1 23 . 1 1 19 19 VAL CA C 13 62.176 0.000 . 1 . . . . 19 VAL CA . 16257 1 24 . 1 1 19 19 VAL N N 15 119.888 0.058 . 1 . . . . 19 VAL N . 16257 1 25 . 1 1 20 20 ILE H H 1 8.373 0.005 . 1 . . . . 20 ILE H . 16257 1 26 . 1 1 20 20 ILE HA H 1 4.124 0.001 . 1 . . . . 20 ILE HA . 16257 1 27 . 1 1 20 20 ILE HB H 1 1.813 0.000 . 1 . . . . 20 ILE HB . 16257 1 28 . 1 1 20 20 ILE C C 13 176.119 0.000 . 1 . . . . 20 ILE C . 16257 1 29 . 1 1 20 20 ILE CA C 13 61.122 0.000 . 1 . . . . 20 ILE CA . 16257 1 30 . 1 1 20 20 ILE N N 15 125.994 0.132 . 1 . . . . 20 ILE N . 16257 1 31 . 1 1 21 21 GLN H H 1 8.533 0.010 . 1 . . . . 21 GLN H . 16257 1 32 . 1 1 21 21 GLN HA H 1 4.335 0.000 . 1 . . . . 21 GLN HA . 16257 1 33 . 1 1 21 21 GLN HB2 H 1 1.932 0.000 . 2 . . . . 21 GLN HB2 . 16257 1 34 . 1 1 21 21 GLN HB3 H 1 2.050 0.000 . 2 . . . . 21 GLN HB3 . 16257 1 35 . 1 1 21 21 GLN CA C 13 55.549 0.000 . 1 . . . . 21 GLN CA . 16257 1 36 . 1 1 21 21 GLN N N 15 125.889 0.174 . 1 . . . . 21 GLN N . 16257 1 37 . 1 1 22 22 ALA H H 1 8.404 0.006 . 1 . . . . 22 ALA H . 16257 1 38 . 1 1 22 22 ALA HA H 1 4.320 0.000 . 1 . . . . 22 ALA HA . 16257 1 39 . 1 1 22 22 ALA HB1 H 1 1.349 0.000 . 1 . . . . 22 ALA HB1 . 16257 1 40 . 1 1 22 22 ALA HB2 H 1 1.349 0.000 . 1 . . . . 22 ALA HB2 . 16257 1 41 . 1 1 22 22 ALA HB3 H 1 1.349 0.000 . 1 . . . . 22 ALA HB3 . 16257 1 42 . 1 1 22 22 ALA C C 13 177.617 0.000 . 1 . . . . 22 ALA C . 16257 1 43 . 1 1 22 22 ALA CA C 13 52.462 0.000 . 1 . . . . 22 ALA CA . 16257 1 44 . 1 1 22 22 ALA N N 15 126.374 0.093 . 1 . . . . 22 ALA N . 16257 1 45 . 1 1 23 23 ILE H H 1 8.186 0.002 . 1 . . . . 23 ILE H . 16257 1 46 . 1 1 23 23 ILE HA H 1 4.094 0.000 . 1 . . . . 23 ILE HA . 16257 1 47 . 1 1 23 23 ILE HB H 1 1.797 0.000 . 1 . . . . 23 ILE HB . 16257 1 48 . 1 1 23 23 ILE C C 13 176.283 0.000 . 1 . . . . 23 ILE C . 16257 1 49 . 1 1 23 23 ILE CA C 13 61.255 0.000 . 1 . . . . 23 ILE CA . 16257 1 50 . 1 1 23 23 ILE N N 15 120.880 0.015 . 1 . . . . 23 ILE N . 16257 1 51 . 1 1 24 24 GLN H H 1 8.496 0.007 . 1 . . . . 24 GLN H . 16257 1 52 . 1 1 24 24 GLN HA H 1 4.345 0.000 . 1 . . . . 24 GLN HA . 16257 1 53 . 1 1 24 24 GLN HB2 H 1 1.962 0.000 . 2 . . . . 24 GLN HB2 . 16257 1 54 . 1 1 24 24 GLN HB3 H 1 2.056 0.000 . 2 . . . . 24 GLN HB3 . 16257 1 55 . 1 1 24 24 GLN C C 13 175.856 0.000 . 1 . . . . 24 GLN C . 16257 1 56 . 1 1 24 24 GLN CA C 13 55.623 0.000 . 1 . . . . 24 GLN CA . 16257 1 57 . 1 1 24 24 GLN N N 15 125.302 0.192 . 1 . . . . 24 GLN N . 16257 1 58 . 1 1 25 25 LYS H H 1 8.474 0.002 . 1 . . . . 25 LYS H . 16257 1 59 . 1 1 25 25 LYS HA H 1 4.335 0.000 . 1 . . . . 25 LYS HA . 16257 1 60 . 1 1 25 25 LYS C C 13 176.716 0.000 . 1 . . . . 25 LYS C . 16257 1 61 . 1 1 25 25 LYS CA C 13 56.573 0.000 . 1 . . . . 25 LYS CA . 16257 1 62 . 1 1 25 25 LYS N N 15 123.700 0.008 . 1 . . . . 25 LYS N . 16257 1 63 . 1 1 26 26 SER H H 1 8.421 0.001 . 1 . . . . 26 SER H . 16257 1 64 . 1 1 26 26 SER HA H 1 4.430 0.000 . 1 . . . . 26 SER HA . 16257 1 65 . 1 1 26 26 SER HB2 H 1 3.853 0.000 . 1 . . . . 26 SER HB2 . 16257 1 66 . 1 1 26 26 SER HB3 H 1 3.853 0.000 . 1 . . . . 26 SER HB3 . 16257 1 67 . 1 1 26 26 SER C C 13 174.331 0.000 . 1 . . . . 26 SER C . 16257 1 68 . 1 1 26 26 SER CA C 13 58.447 0.000 . 1 . . . . 26 SER CA . 16257 1 69 . 1 1 26 26 SER N N 15 117.137 0.054 . 1 . . . . 26 SER N . 16257 1 70 . 1 1 27 27 ASP H H 1 8.452 0.019 . 1 . . . . 27 ASP H . 16257 1 71 . 1 1 27 27 ASP HA H 1 4.671 0.018 . 1 . . . . 27 ASP HA . 16257 1 72 . 1 1 27 27 ASP HB2 H 1 2.793 0.000 . 2 . . . . 27 ASP HB2 . 16257 1 73 . 1 1 27 27 ASP HB3 H 1 2.887 0.000 . 2 . . . . 27 ASP HB3 . 16257 1 74 . 1 1 27 27 ASP C C 13 175.871 0.000 . 1 . . . . 27 ASP C . 16257 1 75 . 1 1 27 27 ASP CA C 13 53.638 0.000 . 1 . . . . 27 ASP CA . 16257 1 76 . 1 1 27 27 ASP N N 15 122.003 0.077 . 1 . . . . 27 ASP N . 16257 1 77 . 1 1 28 28 GLU H H 1 8.312 0.001 . 1 . . . . 28 GLU H . 16257 1 78 . 1 1 28 28 GLU HA H 1 4.261 0.000 . 1 . . . . 28 GLU HA . 16257 1 79 . 1 1 28 28 GLU HB2 H 1 1.963 0.000 . 1 . . . . 28 GLU HB2 . 16257 1 80 . 1 1 28 28 GLU HB3 H 1 1.963 0.000 . 1 . . . . 28 GLU HB3 . 16257 1 81 . 1 1 28 28 GLU C C 13 176.619 0.000 . 1 . . . . 28 GLU C . 16257 1 82 . 1 1 28 28 GLU CA C 13 56.465 0.000 . 1 . . . . 28 GLU CA . 16257 1 83 . 1 1 28 28 GLU N N 15 120.857 0.013 . 1 . . . . 28 GLU N . 16257 1 84 . 1 1 29 29 GLY H H 1 8.419 0.003 . 1 . . . . 29 GLY H . 16257 1 85 . 1 1 29 29 GLY HA2 H 1 3.853 0.000 . 1 . . . . 29 GLY HA2 . 16257 1 86 . 1 1 29 29 GLY HA3 H 1 3.853 0.000 . 1 . . . . 29 GLY HA3 . 16257 1 87 . 1 1 29 29 GLY C C 13 173.591 0.000 . 1 . . . . 29 GLY C . 16257 1 88 . 1 1 29 29 GLY CA C 13 45.187 0.000 . 1 . . . . 29 GLY CA . 16257 1 89 . 1 1 29 29 GLY N N 15 109.063 0.014 . 1 . . . . 29 GLY N . 16257 1 90 . 1 1 30 30 HIS H H 1 8.214 0.001 . 1 . . . . 30 HIS H . 16257 1 91 . 1 1 30 30 HIS HA H 1 4.957 0.000 . 1 . . . . 30 HIS HA . 16257 1 92 . 1 1 30 30 HIS HB2 H 1 3.089 0.000 . 1 . . . . 30 HIS HB2 . 16257 1 93 . 1 1 30 30 HIS N N 15 118.022 0.119 . 1 . . . . 30 HIS N . 16257 1 94 . 1 1 31 31 PRO C C 13 176.694 0.000 . 1 . . . . 31 PRO C . 16257 1 95 . 1 1 31 31 PRO CA C 13 63.341 0.000 . 1 . . . . 31 PRO CA . 16257 1 96 . 1 1 32 32 PHE H H 1 8.480 0.005 . 1 . . . . 32 PHE H . 16257 1 97 . 1 1 32 32 PHE HA H 1 4.565 0.000 . 1 . . . . 32 PHE HA . 16257 1 98 . 1 1 32 32 PHE HB2 H 1 3.094 0.000 . 1 . . . . 32 PHE HB2 . 16257 1 99 . 1 1 32 32 PHE HB3 H 1 3.094 0.000 . 1 . . . . 32 PHE HB3 . 16257 1 100 . 1 1 32 32 PHE CA C 13 58.188 0.000 . 1 . . . . 32 PHE CA . 16257 1 101 . 1 1 32 32 PHE N N 15 121.376 0.010 . 1 . . . . 32 PHE N . 16257 1 102 . 1 1 33 33 ARG H H 1 8.086 0.003 . 1 . . . . 33 ARG H . 16257 1 103 . 1 1 33 33 ARG HA H 1 4.193 0.000 . 1 . . . . 33 ARG HA . 16257 1 104 . 1 1 33 33 ARG HB2 H 1 1.483 0.000 . 2 . . . . 33 ARG HB2 . 16257 1 105 . 1 1 33 33 ARG HB3 H 1 1.628 0.003 . 2 . . . . 33 ARG HB3 . 16257 1 106 . 1 1 33 33 ARG CA C 13 55.828 0.000 . 1 . . . . 33 ARG CA . 16257 1 107 . 1 1 33 33 ARG N N 15 123.970 0.062 . 1 . . . . 33 ARG N . 16257 1 108 . 1 1 34 34 ALA H H 1 8.170 0.002 . 1 . . . . 34 ALA H . 16257 1 109 . 1 1 34 34 ALA HA H 1 4.175 0.012 . 1 . . . . 34 ALA HA . 16257 1 110 . 1 1 34 34 ALA HB1 H 1 1.314 0.000 . 1 . . . . 34 ALA HB1 . 16257 1 111 . 1 1 34 34 ALA HB2 H 1 1.314 0.000 . 1 . . . . 34 ALA HB2 . 16257 1 112 . 1 1 34 34 ALA HB3 H 1 1.314 0.000 . 1 . . . . 34 ALA HB3 . 16257 1 113 . 1 1 34 34 ALA CA C 13 52.692 0.000 . 1 . . . . 34 ALA CA . 16257 1 114 . 1 1 34 34 ALA N N 15 125.249 0.059 . 1 . . . . 34 ALA N . 16257 1 115 . 1 1 35 35 TYR H H 1 8.063 0.003 . 1 . . . . 35 TYR H . 16257 1 116 . 1 1 35 35 TYR HA H 1 4.502 0.000 . 1 . . . . 35 TYR HA . 16257 1 117 . 1 1 35 35 TYR HB2 H 1 2.980 0.002 . 1 . . . . 35 TYR HB2 . 16257 1 118 . 1 1 35 35 TYR HB3 H 1 2.980 0.002 . 1 . . . . 35 TYR HB3 . 16257 1 119 . 1 1 35 35 TYR CA C 13 58.061 0.000 . 1 . . . . 35 TYR CA . 16257 1 120 . 1 1 35 35 TYR N N 15 119.408 0.028 . 1 . . . . 35 TYR N . 16257 1 121 . 1 1 36 36 LEU H H 1 8.044 0.002 . 1 . . . . 36 LEU H . 16257 1 122 . 1 1 36 36 LEU HA H 1 4.255 0.000 . 1 . . . . 36 LEU HA . 16257 1 123 . 1 1 36 36 LEU CA C 13 55.270 0.000 . 1 . . . . 36 LEU CA . 16257 1 124 . 1 1 36 36 LEU N N 15 123.745 0.072 . 1 . . . . 36 LEU N . 16257 1 125 . 1 1 37 37 GLU H H 1 8.260 0.005 . 1 . . . . 37 GLU H . 16257 1 126 . 1 1 37 37 GLU HA H 1 4.255 0.000 . 1 . . . . 37 GLU HA . 16257 1 127 . 1 1 37 37 GLU CA C 13 56.567 0.000 . 1 . . . . 37 GLU CA . 16257 1 128 . 1 1 37 37 GLU N N 15 120.867 0.000 . 1 . . . . 37 GLU N . 16257 1 129 . 1 1 38 38 SER H H 1 8.226 0.009 . 1 . . . . 38 SER H . 16257 1 130 . 1 1 38 38 SER HA H 1 4.386 0.000 . 1 . . . . 38 SER HA . 16257 1 131 . 1 1 38 38 SER HB2 H 1 3.865 0.000 . 1 . . . . 38 SER HB2 . 16257 1 132 . 1 1 38 38 SER HB3 H 1 3.865 0.000 . 1 . . . . 38 SER HB3 . 16257 1 133 . 1 1 38 38 SER CA C 13 58.765 0.000 . 1 . . . . 38 SER CA . 16257 1 134 . 1 1 38 38 SER N N 15 116.233 0.019 . 1 . . . . 38 SER N . 16257 1 135 . 1 1 39 39 GLU H H 1 8.327 0.013 . 1 . . . . 39 GLU H . 16257 1 136 . 1 1 39 39 GLU HA H 1 4.312 0.000 . 1 . . . . 39 GLU HA . 16257 1 137 . 1 1 39 39 GLU CA C 13 56.645 0.000 . 1 . . . . 39 GLU CA . 16257 1 138 . 1 1 39 39 GLU N N 15 122.296 0.059 . 1 . . . . 39 GLU N . 16257 1 139 . 1 1 40 40 VAL H H 1 8.030 0.004 . 1 . . . . 40 VAL H . 16257 1 140 . 1 1 40 40 VAL HA H 1 3.985 0.001 . 1 . . . . 40 VAL HA . 16257 1 141 . 1 1 40 40 VAL HB H 1 2.035 0.003 . 1 . . . . 40 VAL HB . 16257 1 142 . 1 1 40 40 VAL C C 13 176.209 0.000 . 1 . . . . 40 VAL C . 16257 1 143 . 1 1 40 40 VAL CA C 13 63.230 0.000 . 1 . . . . 40 VAL CA . 16257 1 144 . 1 1 40 40 VAL N N 15 120.867 0.007 . 1 . . . . 40 VAL N . 16257 1 145 . 1 1 41 41 ALA H H 1 8.202 0.003 . 1 . . . . 41 ALA H . 16257 1 146 . 1 1 41 41 ALA HA H 1 4.291 0.001 . 1 . . . . 41 ALA HA . 16257 1 147 . 1 1 41 41 ALA HB1 H 1 1.380 0.000 . 1 . . . . 41 ALA HB1 . 16257 1 148 . 1 1 41 41 ALA HB2 H 1 1.380 0.000 . 1 . . . . 41 ALA HB2 . 16257 1 149 . 1 1 41 41 ALA HB3 H 1 1.380 0.000 . 1 . . . . 41 ALA HB3 . 16257 1 150 . 1 1 41 41 ALA C C 13 178.416 0.000 . 1 . . . . 41 ALA C . 16257 1 151 . 1 1 41 41 ALA CA C 13 53.098 0.000 . 1 . . . . 41 ALA CA . 16257 1 152 . 1 1 41 41 ALA N N 15 126.827 0.024 . 1 . . . . 41 ALA N . 16257 1 153 . 1 1 42 42 ILE H H 1 8.079 0.002 . 1 . . . . 42 ILE H . 16257 1 154 . 1 1 42 42 ILE HA H 1 4.062 0.000 . 1 . . . . 42 ILE HA . 16257 1 155 . 1 1 42 42 ILE C C 13 176.928 0.000 . 1 . . . . 42 ILE C . 16257 1 156 . 1 1 42 42 ILE CA C 13 62.085 0.000 . 1 . . . . 42 ILE CA . 16257 1 157 . 1 1 42 42 ILE N N 15 119.901 0.037 . 1 . . . . 42 ILE N . 16257 1 158 . 1 1 43 43 SER H H 1 8.233 0.004 . 1 . . . . 43 SER H . 16257 1 159 . 1 1 43 43 SER HA H 1 4.359 0.000 . 1 . . . . 43 SER HA . 16257 1 160 . 1 1 43 43 SER HB2 H 1 3.923 0.000 . 1 . . . . 43 SER HB2 . 16257 1 161 . 1 1 43 43 SER HB3 H 1 3.923 0.000 . 1 . . . . 43 SER HB3 . 16257 1 162 . 1 1 43 43 SER N N 15 118.361 0.000 . 1 . . . . 43 SER N . 16257 1 163 . 1 1 45 45 GLU H H 1 8.200 0.005 . 1 . . . . 45 GLU H . 16257 1 164 . 1 1 45 45 GLU CA C 13 56.977 0.000 . 1 . . . . 45 GLU CA . 16257 1 165 . 1 1 45 45 GLU N N 15 120.032 0.000 . 1 . . . . 45 GLU N . 16257 1 166 . 1 1 46 46 LEU H H 1 8.076 0.003 . 1 . . . . 46 LEU H . 16257 1 167 . 1 1 46 46 LEU HA H 1 4.270 0.000 . 1 . . . . 46 LEU HA . 16257 1 168 . 1 1 46 46 LEU CA C 13 56.021 0.000 . 1 . . . . 46 LEU CA . 16257 1 169 . 1 1 46 46 LEU N N 15 122.101 0.191 . 1 . . . . 46 LEU N . 16257 1 170 . 1 1 47 47 VAL H H 1 7.938 0.002 . 1 . . . . 47 VAL H . 16257 1 171 . 1 1 47 47 VAL HA H 1 3.957 0.003 . 1 . . . . 47 VAL HA . 16257 1 172 . 1 1 47 47 VAL HB H 1 2.076 0.000 . 1 . . . . 47 VAL HB . 16257 1 173 . 1 1 47 47 VAL CA C 13 63.411 0.000 . 1 . . . . 47 VAL CA . 16257 1 174 . 1 1 47 47 VAL N N 15 120.265 0.135 . 1 . . . . 47 VAL N . 16257 1 175 . 1 1 48 48 GLN H H 1 8.287 0.003 . 1 . . . . 48 GLN H . 16257 1 176 . 1 1 48 48 GLN HA H 1 4.234 0.000 . 1 . . . . 48 GLN HA . 16257 1 177 . 1 1 48 48 GLN CA C 13 56.497 0.000 . 1 . . . . 48 GLN CA . 16257 1 178 . 1 1 48 48 GLN N N 15 123.266 0.084 . 1 . . . . 48 GLN N . 16257 1 179 . 1 1 49 49 LYS H H 1 8.181 0.002 . 1 . . . . 49 LYS H . 16257 1 180 . 1 1 49 49 LYS HA H 1 4.214 0.000 . 1 . . . . 49 LYS HA . 16257 1 181 . 1 1 49 49 LYS CA C 13 57.036 0.000 . 1 . . . . 49 LYS CA . 16257 1 182 . 1 1 49 49 LYS N N 15 121.760 0.109 . 1 . . . . 49 LYS N . 16257 1 183 . 1 1 50 50 TYR H H 1 8.156 0.003 . 1 . . . . 50 TYR H . 16257 1 184 . 1 1 50 50 TYR HA H 1 4.623 0.003 . 1 . . . . 50 TYR HA . 16257 1 185 . 1 1 50 50 TYR HB2 H 1 2.915 0.000 . 2 . . . . 50 TYR HB2 . 16257 1 186 . 1 1 50 50 TYR HB3 H 1 3.119 0.000 . 2 . . . . 50 TYR HB3 . 16257 1 187 . 1 1 50 50 TYR CA C 13 57.918 0.000 . 1 . . . . 50 TYR CA . 16257 1 188 . 1 1 50 50 TYR N N 15 120.309 0.000 . 1 . . . . 50 TYR N . 16257 1 189 . 1 1 51 51 SER H H 1 8.192 0.002 . 1 . . . . 51 SER H . 16257 1 190 . 1 1 51 51 SER HA H 1 4.396 0.000 . 1 . . . . 51 SER HA . 16257 1 191 . 1 1 51 51 SER HB2 H 1 3.851 0.000 . 1 . . . . 51 SER HB2 . 16257 1 192 . 1 1 51 51 SER HB3 H 1 3.851 0.000 . 1 . . . . 51 SER HB3 . 16257 1 193 . 1 1 51 51 SER CA C 13 58.561 0.000 . 1 . . . . 51 SER CA . 16257 1 194 . 1 1 51 51 SER N N 15 117.100 0.059 . 1 . . . . 51 SER N . 16257 1 195 . 1 1 52 52 ASN H H 1 8.429 0.004 . 1 . . . . 52 ASN H . 16257 1 196 . 1 1 52 52 ASN HA H 1 4.706 0.000 . 1 . . . . 52 ASN HA . 16257 1 197 . 1 1 52 52 ASN HB2 H 1 2.832 0.000 . 1 . . . . 52 ASN HB2 . 16257 1 198 . 1 1 52 52 ASN HB3 H 1 2.832 0.000 . 1 . . . . 52 ASN HB3 . 16257 1 199 . 1 1 52 52 ASN CA C 13 53.543 0.000 . 1 . . . . 52 ASN CA . 16257 1 200 . 1 1 52 52 ASN N N 15 121.051 0.145 . 1 . . . . 52 ASN N . 16257 1 201 . 1 1 53 53 SER H H 1 8.287 0.003 . 1 . . . . 53 SER H . 16257 1 202 . 1 1 53 53 SER HA H 1 4.385 0.002 . 1 . . . . 53 SER HA . 16257 1 203 . 1 1 53 53 SER HB2 H 1 3.885 0.006 . 1 . . . . 53 SER HB2 . 16257 1 204 . 1 1 53 53 SER HB3 H 1 3.885 0.006 . 1 . . . . 53 SER HB3 . 16257 1 205 . 1 1 53 53 SER CA C 13 58.897 0.000 . 1 . . . . 53 SER CA . 16257 1 206 . 1 1 53 53 SER N N 15 116.616 0.039 . 1 . . . . 53 SER N . 16257 1 207 . 1 1 54 54 ALA H H 1 8.300 0.003 . 1 . . . . 54 ALA H . 16257 1 208 . 1 1 54 54 ALA HA H 1 4.381 0.000 . 1 . . . . 54 ALA HA . 16257 1 209 . 1 1 54 54 ALA CA C 13 52.976 0.000 . 1 . . . . 54 ALA CA . 16257 1 210 . 1 1 54 54 ALA N N 15 125.756 0.038 . 1 . . . . 54 ALA N . 16257 1 211 . 1 1 55 55 LEU H H 1 8.031 0.015 . 1 . . . . 55 LEU H . 16257 1 212 . 1 1 55 55 LEU HA H 1 4.289 0.005 . 1 . . . . 55 LEU HA . 16257 1 213 . 1 1 55 55 LEU HB2 H 1 1.621 0.000 . 1 . . . . 55 LEU HB2 . 16257 1 214 . 1 1 55 55 LEU HB3 H 1 1.621 0.000 . 1 . . . . 55 LEU HB3 . 16257 1 215 . 1 1 55 55 LEU CA C 13 55.522 0.000 . 1 . . . . 55 LEU CA . 16257 1 216 . 1 1 55 55 LEU N N 15 119.954 0.090 . 1 . . . . 55 LEU N . 16257 1 217 . 1 1 56 56 GLY H H 1 8.251 0.002 . 1 . . . . 56 GLY H . 16257 1 218 . 1 1 56 56 GLY HA2 H 1 3.878 0.000 . 1 . . . . 56 GLY HA2 . 16257 1 219 . 1 1 56 56 GLY HA3 H 1 3.878 0.000 . 1 . . . . 56 GLY HA3 . 16257 1 220 . 1 1 56 56 GLY CA C 13 45.337 0.000 . 1 . . . . 56 GLY CA . 16257 1 221 . 1 1 56 56 GLY N N 15 108.661 0.029 . 1 . . . . 56 GLY N . 16257 1 222 . 1 1 57 57 HIS H H 1 8.284 0.003 . 1 . . . . 57 HIS H . 16257 1 223 . 1 1 57 57 HIS HA H 1 4.730 0.002 . 1 . . . . 57 HIS HA . 16257 1 224 . 1 1 57 57 HIS HB2 H 1 3.154 0.000 . 2 . . . . 57 HIS HB2 . 16257 1 225 . 1 1 57 57 HIS HB3 H 1 3.241 0.000 . 2 . . . . 57 HIS HB3 . 16257 1 226 . 1 1 57 57 HIS CA C 13 55.295 0.000 . 1 . . . . 57 HIS CA . 16257 1 227 . 1 1 57 57 HIS N N 15 118.103 0.070 . 1 . . . . 57 HIS N . 16257 1 228 . 1 1 58 58 VAL H H 1 8.220 0.006 . 1 . . . . 58 VAL H . 16257 1 229 . 1 1 58 58 VAL HA H 1 4.082 0.004 . 1 . . . . 58 VAL HA . 16257 1 230 . 1 1 58 58 VAL HB H 1 2.027 0.000 . 1 . . . . 58 VAL HB . 16257 1 231 . 1 1 58 58 VAL HG11 H 1 0.894 0.000 . 1 . . . . 58 VAL HG11 . 16257 1 232 . 1 1 58 58 VAL HG12 H 1 0.894 0.000 . 1 . . . . 58 VAL HG12 . 16257 1 233 . 1 1 58 58 VAL HG13 H 1 0.894 0.000 . 1 . . . . 58 VAL HG13 . 16257 1 234 . 1 1 58 58 VAL HG21 H 1 0.894 0.000 . 1 . . . . 58 VAL HG21 . 16257 1 235 . 1 1 58 58 VAL HG22 H 1 0.894 0.000 . 1 . . . . 58 VAL HG22 . 16257 1 236 . 1 1 58 58 VAL HG23 H 1 0.894 0.000 . 1 . . . . 58 VAL HG23 . 16257 1 237 . 1 1 58 58 VAL CA C 13 62.488 0.000 . 1 . . . . 58 VAL CA . 16257 1 238 . 1 1 58 58 VAL N N 15 121.758 0.112 . 1 . . . . 58 VAL N . 16257 1 239 . 1 1 59 59 ASN H H 1 8.623 0.004 . 1 . . . . 59 ASN H . 16257 1 240 . 1 1 59 59 ASN HA H 1 4.744 0.002 . 1 . . . . 59 ASN HA . 16257 1 241 . 1 1 59 59 ASN HB2 H 1 2.809 0.000 . 1 . . . . 59 ASN HB2 . 16257 1 242 . 1 1 59 59 ASN HB3 H 1 2.809 0.000 . 1 . . . . 59 ASN HB3 . 16257 1 243 . 1 1 59 59 ASN CA C 13 53.370 0.000 . 1 . . . . 59 ASN CA . 16257 1 244 . 1 1 59 59 ASN N N 15 122.997 0.050 . 1 . . . . 59 ASN N . 16257 1 245 . 1 1 60 60 SER H H 1 8.382 0.006 . 1 . . . . 60 SER H . 16257 1 246 . 1 1 60 60 SER HA H 1 4.475 0.000 . 1 . . . . 60 SER HA . 16257 1 247 . 1 1 60 60 SER HB2 H 1 3.857 0.000 . 1 . . . . 60 SER HB2 . 16257 1 248 . 1 1 60 60 SER HB3 H 1 3.857 0.000 . 1 . . . . 60 SER HB3 . 16257 1 249 . 1 1 60 60 SER CA C 13 58.788 0.000 . 1 . . . . 60 SER CA . 16257 1 250 . 1 1 60 60 SER N N 15 116.979 0.139 . 1 . . . . 60 SER N . 16257 1 251 . 1 1 61 61 THR H H 1 8.255 0.006 . 1 . . . . 61 THR H . 16257 1 252 . 1 1 61 61 THR HA H 1 4.472 0.000 . 1 . . . . 61 THR HA . 16257 1 253 . 1 1 61 61 THR CA C 13 62.564 0.000 . 1 . . . . 61 THR CA . 16257 1 254 . 1 1 61 61 THR N N 15 116.220 0.024 . 1 . . . . 61 THR N . 16257 1 255 . 1 1 62 62 ILE H H 1 8.095 0.001 . 1 . . . . 62 ILE H . 16257 1 256 . 1 1 62 62 ILE HA H 1 4.064 0.000 . 1 . . . . 62 ILE HA . 16257 1 257 . 1 1 62 62 ILE CA C 13 61.958 0.000 . 1 . . . . 62 ILE CA . 16257 1 258 . 1 1 62 62 ILE N N 15 123.278 0.077 . 1 . . . . 62 ILE N . 16257 1 259 . 1 1 63 63 LYS H H 1 8.297 0.002 . 1 . . . . 63 LYS H . 16257 1 260 . 1 1 63 63 LYS HA H 1 4.219 0.000 . 1 . . . . 63 LYS HA . 16257 1 261 . 1 1 63 63 LYS CA C 13 57.252 0.000 . 1 . . . . 63 LYS CA . 16257 1 262 . 1 1 63 63 LYS N N 15 124.744 0.097 . 1 . . . . 63 LYS N . 16257 1 263 . 1 1 64 64 GLU H H 1 8.198 0.005 . 1 . . . . 64 GLU H . 16257 1 264 . 1 1 64 64 GLU HA H 1 4.206 0.000 . 1 . . . . 64 GLU HA . 16257 1 265 . 1 1 64 64 GLU CA C 13 56.416 0.000 . 1 . . . . 64 GLU CA . 16257 1 266 . 1 1 64 64 GLU N N 15 121.142 0.000 . 1 . . . . 64 GLU N . 16257 1 267 . 1 1 65 65 LEU H H 1 8.265 0.003 . 1 . . . . 65 LEU H . 16257 1 268 . 1 1 65 65 LEU N N 15 123.316 0.146 . 1 . . . . 65 LEU N . 16257 1 269 . 1 1 73 73 ASP C C 13 175.340 0.000 . 1 . . . . 73 ASP C . 16257 1 270 . 1 1 73 73 ASP CA C 13 53.498 0.000 . 1 . . . . 73 ASP CA . 16257 1 271 . 1 1 74 74 LEU H H 1 8.126 0.003 . 1 . . . . 74 LEU H . 16257 1 272 . 1 1 74 74 LEU HA H 1 4.332 0.001 . 1 . . . . 74 LEU HA . 16257 1 273 . 1 1 74 74 LEU C C 13 177.664 0.000 . 1 . . . . 74 LEU C . 16257 1 274 . 1 1 74 74 LEU CA C 13 55.653 0.000 . 1 . . . . 74 LEU CA . 16257 1 275 . 1 1 74 74 LEU N N 15 122.305 0.043 . 1 . . . . 74 LEU N . 16257 1 276 . 1 1 75 75 VAL H H 1 7.987 0.001 . 1 . . . . 75 VAL H . 16257 1 277 . 1 1 75 75 VAL HA H 1 4.035 0.000 . 1 . . . . 75 VAL HA . 16257 1 278 . 1 1 75 75 VAL HB H 1 2.069 0.000 . 1 . . . . 75 VAL HB . 16257 1 279 . 1 1 75 75 VAL HG11 H 1 0.915 0.000 . 1 . . . . 75 VAL HG11 . 16257 1 280 . 1 1 75 75 VAL HG12 H 1 0.915 0.000 . 1 . . . . 75 VAL HG12 . 16257 1 281 . 1 1 75 75 VAL HG13 H 1 0.915 0.000 . 1 . . . . 75 VAL HG13 . 16257 1 282 . 1 1 75 75 VAL HG21 H 1 0.915 0.000 . 1 . . . . 75 VAL HG21 . 16257 1 283 . 1 1 75 75 VAL HG22 H 1 0.915 0.000 . 1 . . . . 75 VAL HG22 . 16257 1 284 . 1 1 75 75 VAL HG23 H 1 0.915 0.000 . 1 . . . . 75 VAL HG23 . 16257 1 285 . 1 1 75 75 VAL C C 13 176.189 0.000 . 1 . . . . 75 VAL C . 16257 1 286 . 1 1 75 75 VAL CA C 13 62.871 0.000 . 1 . . . . 75 VAL CA . 16257 1 287 . 1 1 75 75 VAL N N 15 119.891 0.023 . 1 . . . . 75 VAL N . 16257 1 288 . 1 1 76 76 ASP H H 1 8.410 0.006 . 1 . . . . 76 ASP H . 16257 1 289 . 1 1 76 76 ASP HA H 1 4.699 0.003 . 1 . . . . 76 ASP HA . 16257 1 290 . 1 1 76 76 ASP HB2 H 1 2.783 0.000 . 2 . . . . 76 ASP HB2 . 16257 1 291 . 1 1 76 76 ASP HB3 H 1 2.886 0.000 . 2 . . . . 76 ASP HB3 . 16257 1 292 . 1 1 76 76 ASP CA C 13 53.663 0.000 . 1 . . . . 76 ASP CA . 16257 1 293 . 1 1 76 76 ASP N N 15 122.317 0.177 . 1 . . . . 76 ASP N . 16257 1 294 . 1 1 77 77 SER H H 1 8.188 0.006 . 1 . . . . 77 SER H . 16257 1 295 . 1 1 77 77 SER HA H 1 3.863 0.004 . 1 . . . . 77 SER HA . 16257 1 296 . 1 1 77 77 SER C C 13 174.328 0.000 . 1 . . . . 77 SER C . 16257 1 297 . 1 1 77 77 SER CA C 13 58.652 0.000 . 1 . . . . 77 SER CA . 16257 1 298 . 1 1 77 77 SER N N 15 116.367 0.236 . 1 . . . . 77 SER N . 16257 1 299 . 1 1 78 78 LEU H H 1 8.141 0.002 . 1 . . . . 78 LEU H . 16257 1 300 . 1 1 78 78 LEU HA H 1 4.391 0.000 . 1 . . . . 78 LEU HA . 16257 1 301 . 1 1 78 78 LEU CA C 13 55.312 0.000 . 1 . . . . 78 LEU CA . 16257 1 302 . 1 1 78 78 LEU N N 15 123.752 0.058 . 1 . . . . 78 LEU N . 16257 1 303 . 1 1 79 79 LYS H H 1 8.053 0.000 . 1 . . . . 79 LYS H . 16257 1 304 . 1 1 79 79 LYS HA H 1 4.269 0.000 . 1 . . . . 79 LYS HA . 16257 1 305 . 1 1 79 79 LYS N N 15 124.585 0.251 . 1 . . . . 79 LYS N . 16257 1 stop_ save_