################################### # 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_L_SH3AD20_shift_list _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode L_SH3AD20_shift_list _Assigned_chem_shift_list.Entry_ID 27820 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $all_samples_conditions _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' . . . 27820 1 2 '3D HNCA' . . . 27820 1 3 '3D HN(CO)CA' . . . 27820 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 8 8 TRP HE1 H 1 10.098 0.000 . 1 . . . . . 4 TRP HE1 . 27820 1 2 . 1 1 8 8 TRP NE1 N 15 129.450 0.000 . 1 . . . . . 4 TRP NE1 . 27820 1 3 . 1 1 10 10 THR CA C 13 61.842 0.025 . 1 . . . . . 6 THR CA . 27820 1 4 . 1 1 11 11 ALA H H 1 8.006 0.001 . 1 . . . . . 7 ALA H . 27820 1 5 . 1 1 11 11 ALA CA C 13 52.467 0.009 . 1 . . . . . 7 ALA CA . 27820 1 6 . 1 1 11 11 ALA N N 15 125.420 0.017 . 1 . . . . . 7 ALA N . 27820 1 7 . 1 1 12 12 GLU H H 1 8.287 0.004 . 1 . . . . . 8 GLU H . 27820 1 8 . 1 1 12 12 GLU CA C 13 56.805 0.007 . 1 . . . . . 8 GLU CA . 27820 1 9 . 1 1 12 12 GLU N N 15 120.467 0.025 . 1 . . . . . 8 GLU N . 27820 1 10 . 1 1 13 13 LYS H H 1 8.382 0.003 . 1 . . . . . 9 LYS H . 27820 1 11 . 1 1 13 13 LYS CA C 13 56.907 0.022 . 1 . . . . . 9 LYS CA . 27820 1 12 . 1 1 13 13 LYS N N 15 124.471 0.016 . 1 . . . . . 9 LYS N . 27820 1 13 . 1 1 14 14 GLY H H 1 8.325 0.004 . 1 . . . . . 10 GLY H . 27820 1 14 . 1 1 14 14 GLY CA C 13 44.555 0.000 . 1 . . . . . 10 GLY CA . 27820 1 15 . 1 1 14 14 GLY N N 15 108.726 0.022 . 1 . . . . . 10 GLY N . 27820 1 16 . 1 1 15 15 PRO CA C 13 62.992 0.040 . 1 . . . . . 11 PRO CA . 27820 1 17 . 1 1 16 16 LEU H H 1 8.348 0.004 . 1 . . . . . 12 LEU H . 27820 1 18 . 1 1 16 16 LEU CA C 13 54.748 0.020 . 1 . . . . . 12 LEU CA . 27820 1 19 . 1 1 16 16 LEU N N 15 122.411 0.011 . 1 . . . . . 12 LEU N . 27820 1 20 . 1 1 17 17 THR H H 1 8.447 0.003 . 1 . . . . . 13 THR H . 27820 1 21 . 1 1 17 17 THR CA C 13 61.742 0.028 . 1 . . . . . 13 THR CA . 27820 1 22 . 1 1 17 17 THR N N 15 118.544 0.010 . 1 . . . . . 13 THR N . 27820 1 23 . 1 1 18 18 ILE H H 1 8.439 0.002 . 1 . . . . . 14 ILE H . 27820 1 24 . 1 1 18 18 ILE CA C 13 61.003 0.039 . 1 . . . . . 14 ILE CA . 27820 1 25 . 1 1 18 18 ILE N N 15 125.347 0.015 . 1 . . . . . 14 ILE N . 27820 1 26 . 1 1 19 19 SER H H 1 8.544 0.005 . 1 . . . . . 15 SER H . 27820 1 27 . 1 1 19 19 SER CA C 13 58.409 0.012 . 1 . . . . . 15 SER CA . 27820 1 28 . 1 1 19 19 SER N N 15 120.643 0.030 . 1 . . . . . 15 SER N . 27820 1 29 . 1 1 20 20 ALA H H 1 8.371 0.002 . 1 . . . . . 16 ALA H . 27820 1 30 . 1 1 20 20 ALA CA C 13 52.589 0.023 . 1 . . . . . 16 ALA CA . 27820 1 31 . 1 1 20 20 ALA N N 15 125.831 0.021 . 1 . . . . . 16 ALA N . 27820 1 32 . 1 1 21 21 GLN H H 1 8.153 0.003 . 1 . . . . . 17 GLN H . 27820 1 33 . 1 1 21 21 GLN CA C 13 56.214 0.006 . 1 . . . . . 17 GLN CA . 27820 1 34 . 1 1 21 21 GLN N N 15 118.920 0.020 . 1 . . . . . 17 GLN N . 27820 1 35 . 1 1 22 22 GLU H H 1 8.498 0.006 . 1 . . . . . 18 GLU H . 27820 1 36 . 1 1 22 22 GLU CA C 13 57.419 0.029 . 1 . . . . . 18 GLU CA . 27820 1 37 . 1 1 22 22 GLU N N 15 120.568 0.007 . 1 . . . . . 18 GLU N . 27820 1 38 . 1 1 23 23 ASN H H 1 8.405 0.001 . 1 . . . . . 19 ASN H . 27820 1 39 . 1 1 23 23 ASN CA C 13 53.470 0.002 . 1 . . . . . 19 ASN CA . 27820 1 40 . 1 1 23 23 ASN N N 15 117.405 0.034 . 1 . . . . . 19 ASN N . 27820 1 41 . 1 1 24 24 VAL H H 1 7.754 0.006 . 1 . . . . . 20 VAL H . 27820 1 42 . 1 1 24 24 VAL CA C 13 62.468 0.002 . 1 . . . . . 20 VAL CA . 27820 1 43 . 1 1 24 24 VAL N N 15 120.066 0.012 . 1 . . . . . 20 VAL N . 27820 1 44 . 1 1 25 25 LYS H H 1 8.423 0.002 . 1 . . . . . 21 LYS H . 27820 1 45 . 1 1 25 25 LYS CA C 13 55.584 0.008 . 1 . . . . . 21 LYS CA . 27820 1 46 . 1 1 25 25 LYS N N 15 127.188 0.044 . 1 . . . . . 21 LYS N . 27820 1 47 . 1 1 26 26 VAL H H 1 8.083 0.003 . 1 . . . . . 22 VAL H . 27820 1 48 . 1 1 26 26 VAL CA C 13 61.675 0.026 . 1 . . . . . 22 VAL CA . 27820 1 49 . 1 1 26 26 VAL N N 15 122.057 0.006 . 1 . . . . . 22 VAL N . 27820 1 50 . 1 1 27 27 VAL H H 1 8.823 0.004 . 1 . . . . . 23 VAL H . 27820 1 51 . 1 1 27 27 VAL CA C 13 60.195 0.017 . 1 . . . . . 23 VAL CA . 27820 1 52 . 1 1 27 27 VAL N N 15 122.453 0.004 . 1 . . . . . 23 VAL N . 27820 1 53 . 1 1 28 28 TYR H H 1 8.852 0.003 . 1 . . . . . 24 TYR H . 27820 1 54 . 1 1 28 28 TYR CA C 13 57.790 0.009 . 1 . . . . . 24 TYR CA . 27820 1 55 . 1 1 28 28 TYR N N 15 121.518 0.013 . 1 . . . . . 24 TYR N . 27820 1 56 . 1 1 29 29 TYR H H 1 9.381 0.003 . 1 . . . . . 25 TYR H . 27820 1 57 . 1 1 29 29 TYR CA C 13 56.135 0.012 . 1 . . . . . 25 TYR CA . 27820 1 58 . 1 1 29 29 TYR N N 15 122.255 0.005 . 1 . . . . . 25 TYR N . 27820 1 59 . 1 1 30 30 ARG H H 1 9.469 0.003 . 1 . . . . . 26 ARG H . 27820 1 60 . 1 1 30 30 ARG CA C 13 53.411 0.007 . 1 . . . . . 26 ARG CA . 27820 1 61 . 1 1 30 30 ARG N N 15 120.873 0.007 . 1 . . . . . 26 ARG N . 27820 1 62 . 1 1 31 31 ALA H H 1 9.357 0.003 . 1 . . . . . 27 ALA H . 27820 1 63 . 1 1 31 31 ALA CA C 13 52.773 0.036 . 1 . . . . . 27 ALA CA . 27820 1 64 . 1 1 31 31 ALA N N 15 128.820 0.009 . 1 . . . . . 27 ALA N . 27820 1 65 . 1 1 32 32 LEU H H 1 9.597 0.001 . 1 . . . . . 28 LEU H . 27820 1 66 . 1 1 32 32 LEU CA C 13 55.190 0.003 . 1 . . . . . 28 LEU CA . 27820 1 67 . 1 1 32 32 LEU N N 15 123.628 0.016 . 1 . . . . . 28 LEU N . 27820 1 68 . 1 1 33 33 TYR H H 1 7.276 0.003 . 1 . . . . . 29 TYR H . 27820 1 69 . 1 1 33 33 TYR CA C 13 53.870 0.000 . 1 . . . . . 29 TYR CA . 27820 1 70 . 1 1 33 33 TYR N N 15 116.655 0.004 . 1 . . . . . 29 TYR N . 27820 1 71 . 1 1 34 34 PRO CA C 13 62.228 0.006 . 1 . . . . . 30 PRO CA . 27820 1 72 . 1 1 35 35 PHE H H 1 8.711 0.002 . 1 . . . . . 31 PHE H . 27820 1 73 . 1 1 35 35 PHE CA C 13 57.867 0.020 . 1 . . . . . 31 PHE CA . 27820 1 74 . 1 1 35 35 PHE N N 15 122.101 0.014 . 1 . . . . . 31 PHE N . 27820 1 75 . 1 1 36 36 GLU H H 1 7.670 0.003 . 1 . . . . . 32 GLU H . 27820 1 76 . 1 1 36 36 GLU CA C 13 54.330 0.005 . 1 . . . . . 32 GLU CA . 27820 1 77 . 1 1 36 36 GLU N N 15 126.960 0.005 . 1 . . . . . 32 GLU N . 27820 1 78 . 1 1 37 37 SER H H 1 8.245 0.003 . 1 . . . . . 33 SER H . 27820 1 79 . 1 1 37 37 SER CA C 13 58.739 0.028 . 1 . . . . . 33 SER CA . 27820 1 80 . 1 1 37 37 SER N N 15 118.018 0.010 . 1 . . . . . 33 SER N . 27820 1 81 . 1 1 38 38 ARG H H 1 9.018 0.004 . 1 . . . . . 34 ARG H . 27820 1 82 . 1 1 38 38 ARG CA C 13 56.019 0.012 . 1 . . . . . 34 ARG CA . 27820 1 83 . 1 1 38 38 ARG N N 15 124.406 0.012 . 1 . . . . . 34 ARG N . 27820 1 84 . 1 1 39 39 SER H H 1 7.845 0.002 . 1 . . . . . 35 SER H . 27820 1 85 . 1 1 39 39 SER CA C 13 56.940 0.000 . 1 . . . . . 35 SER CA . 27820 1 86 . 1 1 39 39 SER N N 15 112.287 0.003 . 1 . . . . . 35 SER N . 27820 1 87 . 1 1 40 40 HIS CA C 13 58.787 0.034 . 1 . . . . . 36 HIS CA . 27820 1 88 . 1 1 41 41 ASP H H 1 8.273 0.003 . 1 . . . . . 37 ASP H . 27820 1 89 . 1 1 41 41 ASP CA C 13 53.643 0.021 . 1 . . . . . 37 ASP CA . 27820 1 90 . 1 1 41 41 ASP N N 15 116.043 0.021 . 1 . . . . . 37 ASP N . 27820 1 91 . 1 1 42 42 GLU H H 1 7.725 0.001 . 1 . . . . . 38 GLU H . 27820 1 92 . 1 1 42 42 GLU CA C 13 54.693 0.008 . 1 . . . . . 38 GLU CA . 27820 1 93 . 1 1 42 42 GLU N N 15 119.253 0.027 . 1 . . . . . 38 GLU N . 27820 1 94 . 1 1 43 43 ILE H H 1 8.306 0.007 . 1 . . . . . 39 ILE H . 27820 1 95 . 1 1 43 43 ILE CA C 13 59.618 0.008 . 1 . . . . . 39 ILE CA . 27820 1 96 . 1 1 43 43 ILE N N 15 116.018 0.016 . 1 . . . . . 39 ILE N . 27820 1 97 . 1 1 44 44 THR H H 1 7.951 0.003 . 1 . . . . . 40 THR H . 27820 1 98 . 1 1 44 44 THR CA C 13 61.817 0.025 . 1 . . . . . 40 THR CA . 27820 1 99 . 1 1 44 44 THR N N 15 118.452 0.018 . 1 . . . . . 40 THR N . 27820 1 100 . 1 1 45 45 ILE H H 1 9.096 0.003 . 1 . . . . . 41 ILE H . 27820 1 101 . 1 1 45 45 ILE CA C 13 59.325 0.006 . 1 . . . . . 41 ILE CA . 27820 1 102 . 1 1 45 45 ILE N N 15 119.743 0.015 . 1 . . . . . 41 ILE N . 27820 1 103 . 1 1 46 46 GLN H H 1 9.222 0.003 . 1 . . . . . 42 GLN H . 27820 1 104 . 1 1 46 46 GLN CA C 13 52.094 0.000 . 1 . . . . . 42 GLN CA . 27820 1 105 . 1 1 46 46 GLN N N 15 122.376 0.015 . 1 . . . . . 42 GLN N . 27820 1 106 . 1 1 47 47 PRO CA C 13 64.000 0.001 . 1 . . . . . 43 PRO CA . 27820 1 107 . 1 1 48 48 GLY H H 1 8.794 0.003 . 1 . . . . . 44 GLY H . 27820 1 108 . 1 1 48 48 GLY CA C 13 44.845 0.048 . 1 . . . . . 44 GLY CA . 27820 1 109 . 1 1 48 48 GLY N N 15 113.503 0.013 . 1 . . . . . 44 GLY N . 27820 1 110 . 1 1 49 49 ASP H H 1 8.348 0.004 . 1 . . . . . 45 ASP H . 27820 1 111 . 1 1 49 49 ASP CA C 13 56.086 0.006 . 1 . . . . . 45 ASP CA . 27820 1 112 . 1 1 49 49 ASP N N 15 122.239 0.035 . 1 . . . . . 45 ASP N . 27820 1 113 . 1 1 50 50 ILE H H 1 8.274 0.002 . 1 . . . . . 46 ILE H . 27820 1 114 . 1 1 50 50 ILE CA C 13 59.600 0.005 . 1 . . . . . 46 ILE CA . 27820 1 115 . 1 1 50 50 ILE N N 15 121.601 0.017 . 1 . . . . . 46 ILE N . 27820 1 116 . 1 1 51 51 VAL H H 1 9.528 0.002 . 1 . . . . . 47 VAL H . 27820 1 117 . 1 1 51 51 VAL CA C 13 61.350 0.006 . 1 . . . . . 47 VAL CA . 27820 1 118 . 1 1 51 51 VAL N N 15 128.692 0.012 . 1 . . . . . 47 VAL N . 27820 1 119 . 1 1 52 52 MET H H 1 8.207 0.003 . 1 . . . . . 48 MET H . 27820 1 120 . 1 1 52 52 MET CA C 13 55.845 0.014 . 1 . . . . . 48 MET CA . 27820 1 121 . 1 1 52 52 MET N N 15 127.594 0.017 . 1 . . . . . 48 MET N . 27820 1 122 . 1 1 53 53 VAL H H 1 9.205 0.005 . 1 . . . . . 54 VAL H . 27820 1 123 . 1 1 53 53 VAL CA C 13 61.820 0.022 . 1 . . . . . 54 VAL CA . 27820 1 124 . 1 1 53 53 VAL N N 15 128.538 0.012 . 1 . . . . . 54 VAL N . 27820 1 125 . 1 1 54 54 ASP H H 1 7.752 0.005 . 1 . . . . . 55 ASP H . 27820 1 126 . 1 1 54 54 ASP CA C 13 51.639 0.010 . 1 . . . . . 55 ASP CA . 27820 1 127 . 1 1 54 54 ASP N N 15 123.454 0.013 . 1 . . . . . 55 ASP N . 27820 1 128 . 1 1 55 55 GLU H H 1 9.341 0.002 . 1 . . . . . 56 GLU H . 27820 1 129 . 1 1 55 55 GLU CA C 13 58.364 0.007 . 1 . . . . . 56 GLU CA . 27820 1 130 . 1 1 55 55 GLU N N 15 125.728 0.012 . 1 . . . . . 56 GLU N . 27820 1 131 . 1 1 56 56 SER H H 1 8.751 0.006 . 1 . . . . . 57 SER H . 27820 1 132 . 1 1 56 56 SER CA C 13 60.057 0.006 . 1 . . . . . 57 SER CA . 27820 1 133 . 1 1 56 56 SER N N 15 114.701 0.005 . 1 . . . . . 57 SER N . 27820 1 134 . 1 1 57 57 GLN H H 1 7.168 0.006 . 1 . . . . . 58 GLN H . 27820 1 135 . 1 1 57 57 GLN CA C 13 55.261 0.012 . 1 . . . . . 58 GLN CA . 27820 1 136 . 1 1 57 57 GLN N N 15 121.609 0.011 . 1 . . . . . 58 GLN N . 27820 1 137 . 1 1 58 58 THR H H 1 8.339 0.004 . 1 . . . . . 59 THR H . 27820 1 138 . 1 1 58 58 THR CA C 13 61.572 0.010 . 1 . . . . . 59 THR CA . 27820 1 139 . 1 1 58 58 THR N N 15 117.116 0.021 . 1 . . . . . 59 THR N . 27820 1 140 . 1 1 59 59 GLY H H 1 8.637 0.003 . 1 . . . . . 60 GLY H . 27820 1 141 . 1 1 59 59 GLY CA C 13 45.158 0.025 . 1 . . . . . 60 GLY CA . 27820 1 142 . 1 1 59 59 GLY N N 15 113.166 0.018 . 1 . . . . . 60 GLY N . 27820 1 143 . 1 1 60 60 GLU H H 1 8.169 0.002 . 1 . . . . . 61 GLU H . 27820 1 144 . 1 1 60 60 GLU CA C 13 53.589 0.000 . 1 . . . . . 61 GLU CA . 27820 1 145 . 1 1 60 60 GLU N N 15 124.463 0.026 . 1 . . . . . 61 GLU N . 27820 1 146 . 1 1 61 61 PRO CA C 13 64.530 0.000 . 1 . . . . . 62 PRO CA . 27820 1 147 . 1 1 62 62 GLY H H 1 8.787 0.000 . 1 . . . . . 63 GLY H . 27820 1 148 . 1 1 62 62 GLY CA C 13 44.989 0.026 . 1 . . . . . 63 GLY CA . 27820 1 149 . 1 1 62 62 GLY N N 15 111.002 0.010 . 1 . . . . . 63 GLY N . 27820 1 150 . 1 1 63 63 TRP H H 1 8.202 0.003 . 1 . . . . . 64 TRP H . 27820 1 151 . 1 1 63 63 TRP HE1 H 1 9.966 0.000 . 1 . . . . . 64 TRP HE1 . 27820 1 152 . 1 1 63 63 TRP CA C 13 56.675 0.004 . 1 . . . . . 64 TRP CA . 27820 1 153 . 1 1 63 63 TRP N N 15 121.962 0.023 . 1 . . . . . 64 TRP N . 27820 1 154 . 1 1 63 63 TRP NE1 N 15 129.384 0.000 . 1 . . . . . 64 TRP NE1 . 27820 1 155 . 1 1 64 64 LEU H H 1 8.863 0.004 . 1 . . . . . 65 LEU H . 27820 1 156 . 1 1 64 64 LEU CA C 13 52.858 0.005 . 1 . . . . . 65 LEU CA . 27820 1 157 . 1 1 64 64 LEU N N 15 122.987 0.005 . 1 . . . . . 65 LEU N . 27820 1 158 . 1 1 65 65 GLY H H 1 9.055 0.002 . 1 . . . . . 66 GLY H . 27820 1 159 . 1 1 65 65 GLY CA C 13 44.921 0.025 . 1 . . . . . 66 GLY CA . 27820 1 160 . 1 1 65 65 GLY N N 15 109.703 0.013 . 1 . . . . . 66 GLY N . 27820 1 161 . 1 1 66 66 GLY H H 1 8.724 0.003 . 1 . . . . . 67 GLY H . 27820 1 162 . 1 1 66 66 GLY CA C 13 45.896 0.039 . 1 . . . . . 67 GLY CA . 27820 1 163 . 1 1 66 66 GLY N N 15 110.161 0.018 . 1 . . . . . 67 GLY N . 27820 1 164 . 1 1 67 67 GLU H H 1 8.750 0.001 . 1 . . . . . 68 GLU H . 27820 1 165 . 1 1 67 67 GLU CA C 13 54.545 0.012 . 1 . . . . . 68 GLU CA . 27820 1 166 . 1 1 67 67 GLU N N 15 118.992 0.041 . 1 . . . . . 68 GLU N . 27820 1 167 . 1 1 68 68 LEU H H 1 9.044 0.003 . 1 . . . . . 69 LEU H . 27820 1 168 . 1 1 68 68 LEU CA C 13 54.757 0.016 . 1 . . . . . 69 LEU CA . 27820 1 169 . 1 1 68 68 LEU N N 15 127.744 0.002 . 1 . . . . . 69 LEU N . 27820 1 170 . 1 1 69 69 LYS H H 1 9.824 0.000 . 1 . . . . . 70 LYS H . 27820 1 171 . 1 1 69 69 LYS CA C 13 57.447 0.008 . 1 . . . . . 70 LYS CA . 27820 1 172 . 1 1 69 69 LYS N N 15 128.004 0.012 . 1 . . . . . 70 LYS N . 27820 1 173 . 1 1 70 70 GLY H H 1 8.949 0.002 . 1 . . . . . 71 GLY H . 27820 1 174 . 1 1 70 70 GLY CA C 13 45.562 0.017 . 1 . . . . . 71 GLY CA . 27820 1 175 . 1 1 70 70 GLY N N 15 104.853 0.013 . 1 . . . . . 71 GLY N . 27820 1 176 . 1 1 71 71 LYS H H 1 7.887 0.005 . 1 . . . . . 72 LYS H . 27820 1 177 . 1 1 71 71 LYS CA C 13 54.727 0.002 . 1 . . . . . 72 LYS CA . 27820 1 178 . 1 1 71 71 LYS N N 15 121.966 0.005 . 1 . . . . . 72 LYS N . 27820 1 179 . 1 1 72 72 THR H H 1 8.274 0.004 . 1 . . . . . 73 THR H . 27820 1 180 . 1 1 72 72 THR CA C 13 59.282 0.017 . 1 . . . . . 73 THR CA . 27820 1 181 . 1 1 72 72 THR N N 15 114.250 0.019 . 1 . . . . . 73 THR N . 27820 1 182 . 1 1 73 73 GLY H H 1 8.740 0.004 . 1 . . . . . 74 GLY H . 27820 1 183 . 1 1 73 73 GLY CA C 13 45.449 0.025 . 1 . . . . . 74 GLY CA . 27820 1 184 . 1 1 73 73 GLY N N 15 109.997 0.025 . 1 . . . . . 74 GLY N . 27820 1 185 . 1 1 74 74 TRP H H 1 8.883 0.000 . 1 . . . . . 75 TRP H . 27820 1 186 . 1 1 74 74 TRP HE1 H 1 10.235 0.000 . 1 . . . . . 75 TRP HE1 . 27820 1 187 . 1 1 74 74 TRP CA C 13 55.933 0.016 . 1 . . . . . 75 TRP CA . 27820 1 188 . 1 1 74 74 TRP N N 15 119.936 0.032 . 1 . . . . . 75 TRP N . 27820 1 189 . 1 1 74 74 TRP NE1 N 15 129.743 0.000 . 1 . . . . . 75 TRP NE1 . 27820 1 190 . 1 1 75 75 PHE H H 1 9.458 0.003 . 1 . . . . . 76 PHE H . 27820 1 191 . 1 1 75 75 PHE CA C 13 55.751 0.000 . 1 . . . . . 76 PHE CA . 27820 1 192 . 1 1 75 75 PHE N N 15 117.390 0.010 . 1 . . . . . 76 PHE N . 27820 1 193 . 1 1 76 76 PRO CA C 13 62.390 0.005 . 1 . . . . . 77 PRO CA . 27820 1 194 . 1 1 77 77 ALA H H 1 8.132 0.003 . 1 . . . . . 78 ALA H . 27820 1 195 . 1 1 77 77 ALA CA C 13 54.729 0.018 . 1 . . . . . 78 ALA CA . 27820 1 196 . 1 1 77 77 ALA N N 15 126.346 0.009 . 1 . . . . . 78 ALA N . 27820 1 197 . 1 1 78 78 ASN H H 1 8.413 0.005 . 1 . . . . . 79 ASN H . 27820 1 198 . 1 1 78 78 ASN CA C 13 53.690 0.014 . 1 . . . . . 79 ASN CA . 27820 1 199 . 1 1 78 78 ASN N N 15 109.368 0.024 . 1 . . . . . 79 ASN N . 27820 1 200 . 1 1 79 79 TYR H H 1 7.950 0.002 . 1 . . . . . 80 TYR H . 27820 1 201 . 1 1 79 79 TYR CA C 13 57.062 0.018 . 1 . . . . . 80 TYR CA . 27820 1 202 . 1 1 79 79 TYR N N 15 119.801 0.012 . 1 . . . . . 80 TYR N . 27820 1 203 . 1 1 80 80 ALA H H 1 8.103 0.004 . 1 . . . . . 81 ALA H . 27820 1 204 . 1 1 80 80 ALA CA C 13 51.120 0.017 . 1 . . . . . 81 ALA CA . 27820 1 205 . 1 1 80 80 ALA N N 15 122.221 0.028 . 1 . . . . . 81 ALA N . 27820 1 206 . 1 1 81 81 GLU H H 1 8.796 0.003 . 1 . . . . . 82 GLU H . 27820 1 207 . 1 1 81 81 GLU CA C 13 53.705 0.021 . 1 . . . . . 82 GLU CA . 27820 1 208 . 1 1 81 81 GLU N N 15 116.956 0.005 . 1 . . . . . 82 GLU N . 27820 1 209 . 1 1 82 82 LYS H H 1 8.672 0.002 . 1 . . . . . 83 LYS H . 27820 1 210 . 1 1 82 82 LYS CA C 13 57.356 0.006 . 1 . . . . . 83 LYS CA . 27820 1 211 . 1 1 82 82 LYS N N 15 127.993 0.006 . 1 . . . . . 83 LYS N . 27820 1 212 . 1 1 83 83 ILE H H 1 8.551 0.003 . 1 . . . . . 84 ILE H . 27820 1 213 . 1 1 83 83 ILE CA C 13 59.672 0.000 . 1 . . . . . 84 ILE CA . 27820 1 214 . 1 1 83 83 ILE N N 15 129.213 0.019 . 1 . . . . . 84 ILE N . 27820 1 215 . 1 1 84 84 PRO CA C 13 63.437 0.007 . 1 . . . . . 85 PRO CA . 27820 1 216 . 1 1 85 85 GLU H H 1 8.055 0.003 . 1 . . . . . 86 GLU H . 27820 1 217 . 1 1 85 85 GLU CA C 13 58.409 0.000 . 1 . . . . . 86 GLU CA . 27820 1 218 . 1 1 85 85 GLU N N 15 126.594 0.005 . 1 . . . . . 86 GLU N . 27820 1 stop_ save_