################################### # 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 27269 _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 7 '3D HNCO' . . . 27269 1 8 '3D HNCACB' . . . 27269 1 10 '3D HBHA(CO)NH' . . . 27269 1 13 '3D H(CCO)NH' . . . 27269 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 1 1 SER HA H 1 4.195 0.030 . 1 . . . . . 1 SER HA . 27269 1 2 . 1 1 1 1 SER HB2 H 1 4.019 0.030 . 2 . . . . . 1 SER HB2 . 27269 1 3 . 1 1 1 1 SER HB3 H 1 4.019 0.030 . 2 . . . . . 1 SER HB3 . 27269 1 4 . 1 1 1 1 SER CA C 13 57.429 0.500 . 1 . . . . . 1 SER CA . 27269 1 5 . 1 1 1 1 SER CB C 13 63.100 0.500 . 1 . . . . . 1 SER CB . 27269 1 6 . 1 1 2 2 GLN HA H 1 4.384 0.030 . 1 . . . . . 2 GLN HA . 27269 1 7 . 1 1 2 2 GLN HB2 H 1 2.121 0.030 . 2 . . . . . 2 GLN HB2 . 27269 1 8 . 1 1 2 2 GLN HB3 H 1 2.018 0.030 . 2 . . . . . 2 GLN HB3 . 27269 1 9 . 1 1 2 2 GLN HG2 H 1 2.372 0.030 . 2 . . . . . 2 GLN HG2 . 27269 1 10 . 1 1 2 2 GLN HG3 H 1 2.372 0.030 . 2 . . . . . 2 GLN HG3 . 27269 1 11 . 1 1 2 2 GLN HE21 H 1 6.877 0.030 . 2 . . . . . 2 GLN HE21 . 27269 1 12 . 1 1 2 2 GLN HE22 H 1 7.551 0.030 . 2 . . . . . 2 GLN HE22 . 27269 1 13 . 1 1 2 2 GLN C C 13 175.525 0.500 . 1 . . . . . 2 GLN C . 27269 1 14 . 1 1 2 2 GLN CA C 13 56.227 0.500 . 1 . . . . . 2 GLN CA . 27269 1 15 . 1 1 2 2 GLN CB C 13 29.356 0.500 . 1 . . . . . 2 GLN CB . 27269 1 16 . 1 1 2 2 GLN CG C 13 33.726 0.500 . 1 . . . . . 2 GLN CG . 27269 1 17 . 1 1 2 2 GLN NE2 N 15 112.258 0.500 . 1 . . . . . 2 GLN NE2 . 27269 1 18 . 1 1 3 3 GLU H H 1 8.631 0.030 . 1 . . . . . 3 GLU H . 27269 1 19 . 1 1 3 3 GLU HA H 1 4.335 0.030 . 1 . . . . . 3 GLU HA . 27269 1 20 . 1 1 3 3 GLU HB2 H 1 2.021 0.030 . 2 . . . . . 3 GLU HB2 . 27269 1 21 . 1 1 3 3 GLU HB3 H 1 1.977 0.030 . 2 . . . . . 3 GLU HB3 . 27269 1 22 . 1 1 3 3 GLU HG2 H 1 2.289 0.030 . 2 . . . . . 3 GLU HG2 . 27269 1 23 . 1 1 3 3 GLU HG3 H 1 2.289 0.030 . 2 . . . . . 3 GLU HG3 . 27269 1 24 . 1 1 3 3 GLU C C 13 176.779 0.500 . 1 . . . . . 3 GLU C . 27269 1 25 . 1 1 3 3 GLU CA C 13 56.848 0.500 . 1 . . . . . 3 GLU CA . 27269 1 26 . 1 1 3 3 GLU CB C 13 29.997 0.500 . 1 . . . . . 3 GLU CB . 27269 1 27 . 1 1 3 3 GLU CG C 13 36.052 0.500 . 1 . . . . . 3 GLU CG . 27269 1 28 . 1 1 3 3 GLU N N 15 122.711 0.500 . 1 . . . . . 3 GLU N . 27269 1 29 . 1 1 4 4 THR H H 1 8.274 0.030 . 1 . . . . . 4 THR H . 27269 1 30 . 1 1 4 4 THR HA H 1 4.293 0.030 . 1 . . . . . 4 THR HA . 27269 1 31 . 1 1 4 4 THR HB H 1 4.209 0.030 . 1 . . . . . 4 THR HB . 27269 1 32 . 1 1 4 4 THR HG21 H 1 1.209 0.030 . 1 . . . . . 4 THR HG21 . 27269 1 33 . 1 1 4 4 THR HG22 H 1 1.209 0.030 . 1 . . . . . 4 THR HG22 . 27269 1 34 . 1 1 4 4 THR HG23 H 1 1.209 0.030 . 1 . . . . . 4 THR HG23 . 27269 1 35 . 1 1 4 4 THR C C 13 174.601 0.500 . 1 . . . . . 4 THR C . 27269 1 36 . 1 1 4 4 THR CA C 13 62.254 0.500 . 1 . . . . . 4 THR CA . 27269 1 37 . 1 1 4 4 THR CB C 13 69.612 0.500 . 1 . . . . . 4 THR CB . 27269 1 38 . 1 1 4 4 THR CG2 C 13 21.647 0.500 . 1 . . . . . 4 THR CG2 . 27269 1 39 . 1 1 4 4 THR N N 15 116.131 0.500 . 1 . . . . . 4 THR N . 27269 1 40 . 1 1 5 5 ARG H H 1 8.356 0.030 . 1 . . . . . 5 ARG H . 27269 1 41 . 1 1 5 5 ARG HA H 1 4.336 0.030 . 1 . . . . . 5 ARG HA . 27269 1 42 . 1 1 5 5 ARG HB2 H 1 1.850 0.030 . 2 . . . . . 5 ARG HB2 . 27269 1 43 . 1 1 5 5 ARG HB3 H 1 1.778 0.030 . 2 . . . . . 5 ARG HB3 . 27269 1 44 . 1 1 5 5 ARG HG2 H 1 1.629 0.030 . 2 . . . . . 5 ARG HG2 . 27269 1 45 . 1 1 5 5 ARG HG3 H 1 1.629 0.030 . 2 . . . . . 5 ARG HG3 . 27269 1 46 . 1 1 5 5 ARG HD2 H 1 3.186 0.030 . 2 . . . . . 5 ARG HD2 . 27269 1 47 . 1 1 5 5 ARG HD3 H 1 3.186 0.030 . 2 . . . . . 5 ARG HD3 . 27269 1 48 . 1 1 5 5 ARG C C 13 176.177 0.500 . 1 . . . . . 5 ARG C . 27269 1 49 . 1 1 5 5 ARG CA C 13 56.193 0.500 . 1 . . . . . 5 ARG CA . 27269 1 50 . 1 1 5 5 ARG CB C 13 30.686 0.500 . 1 . . . . . 5 ARG CB . 27269 1 51 . 1 1 5 5 ARG CG C 13 27.168 0.500 . 1 . . . . . 5 ARG CG . 27269 1 52 . 1 1 5 5 ARG CD C 13 43.258 0.500 . 1 . . . . . 5 ARG CD . 27269 1 53 . 1 1 5 5 ARG N N 15 123.790 0.500 . 1 . . . . . 5 ARG N . 27269 1 54 . 1 1 6 6 LYS H H 1 8.321 0.030 . 1 . . . . . 6 LYS H . 27269 1 55 . 1 1 6 6 LYS HA H 1 4.299 0.030 . 1 . . . . . 6 LYS HA . 27269 1 56 . 1 1 6 6 LYS HB2 H 1 1.786 0.030 . 2 . . . . . 6 LYS HB2 . 27269 1 57 . 1 1 6 6 LYS HB3 H 1 1.746 0.030 . 2 . . . . . 6 LYS HB3 . 27269 1 58 . 1 1 6 6 LYS HG2 H 1 1.433 0.030 . 2 . . . . . 6 LYS HG2 . 27269 1 59 . 1 1 6 6 LYS HG3 H 1 1.433 0.030 . 2 . . . . . 6 LYS HG3 . 27269 1 60 . 1 1 6 6 LYS HD2 H 1 1.671 0.030 . 2 . . . . . 6 LYS HD2 . 27269 1 61 . 1 1 6 6 LYS HD3 H 1 1.671 0.030 . 2 . . . . . 6 LYS HD3 . 27269 1 62 . 1 1 6 6 LYS HE2 H 1 2.985 0.030 . 2 . . . . . 6 LYS HE2 . 27269 1 63 . 1 1 6 6 LYS HE3 H 1 2.985 0.030 . 2 . . . . . 6 LYS HE3 . 27269 1 64 . 1 1 6 6 LYS C C 13 176.575 0.500 . 1 . . . . . 6 LYS C . 27269 1 65 . 1 1 6 6 LYS CA C 13 56.496 0.500 . 1 . . . . . 6 LYS CA . 27269 1 66 . 1 1 6 6 LYS CB C 13 33.137 0.500 . 1 . . . . . 6 LYS CB . 27269 1 67 . 1 1 6 6 LYS CG C 13 24.808 0.500 . 1 . . . . . 6 LYS CG . 27269 1 68 . 1 1 6 6 LYS CD C 13 29.109 0.500 . 1 . . . . . 6 LYS CD . 27269 1 69 . 1 1 6 6 LYS CE C 13 42.169 0.500 . 1 . . . . . 6 LYS CE . 27269 1 70 . 1 1 6 6 LYS N N 15 122.927 0.500 . 1 . . . . . 6 LYS N . 27269 1 71 . 1 1 7 7 LYS H H 1 8.397 0.030 . 1 . . . . . 7 LYS H . 27269 1 72 . 1 1 7 7 LYS HA H 1 4.307 0.030 . 1 . . . . . 7 LYS HA . 27269 1 73 . 1 1 7 7 LYS HB2 H 1 1.815 0.030 . 2 . . . . . 7 LYS HB2 . 27269 1 74 . 1 1 7 7 LYS HB3 H 1 1.740 0.030 . 2 . . . . . 7 LYS HB3 . 27269 1 75 . 1 1 7 7 LYS HG2 H 1 1.444 0.030 . 2 . . . . . 7 LYS HG2 . 27269 1 76 . 1 1 7 7 LYS HG3 H 1 1.444 0.030 . 2 . . . . . 7 LYS HG3 . 27269 1 77 . 1 1 7 7 LYS HD2 H 1 1.679 0.030 . 2 . . . . . 7 LYS HD2 . 27269 1 78 . 1 1 7 7 LYS HD3 H 1 1.679 0.030 . 2 . . . . . 7 LYS HD3 . 27269 1 79 . 1 1 7 7 LYS HE2 H 1 2.978 0.030 . 2 . . . . . 7 LYS HE2 . 27269 1 80 . 1 1 7 7 LYS HE3 H 1 2.978 0.030 . 2 . . . . . 7 LYS HE3 . 27269 1 81 . 1 1 7 7 LYS C C 13 176.480 0.500 . 1 . . . . . 7 LYS C . 27269 1 82 . 1 1 7 7 LYS CA C 13 56.553 0.500 . 1 . . . . . 7 LYS CA . 27269 1 83 . 1 1 7 7 LYS CB C 13 32.998 0.500 . 1 . . . . . 7 LYS CB . 27269 1 84 . 1 1 7 7 LYS CG C 13 24.810 0.500 . 1 . . . . . 7 LYS CG . 27269 1 85 . 1 1 7 7 LYS CD C 13 29.056 0.500 . 1 . . . . . 7 LYS CD . 27269 1 86 . 1 1 7 7 LYS CE C 13 42.220 0.500 . 1 . . . . . 7 LYS CE . 27269 1 87 . 1 1 7 7 LYS N N 15 122.981 0.500 . 1 . . . . . 7 LYS N . 27269 1 88 . 1 1 8 8 CYS H H 1 8.473 0.030 . 1 . . . . . 8 CYS H . 27269 1 89 . 1 1 8 8 CYS HA H 1 4.551 0.030 . 1 . . . . . 8 CYS HA . 27269 1 90 . 1 1 8 8 CYS HB2 H 1 2.966 0.030 . 2 . . . . . 8 CYS HB2 . 27269 1 91 . 1 1 8 8 CYS HB3 H 1 2.966 0.030 . 2 . . . . . 8 CYS HB3 . 27269 1 92 . 1 1 8 8 CYS C C 13 174.886 0.500 . 1 . . . . . 8 CYS C . 27269 1 93 . 1 1 8 8 CYS CA C 13 58.729 0.500 . 1 . . . . . 8 CYS CA . 27269 1 94 . 1 1 8 8 CYS CB C 13 27.955 0.500 . 1 . . . . . 8 CYS CB . 27269 1 95 . 1 1 8 8 CYS N N 15 120.931 0.500 . 1 . . . . . 8 CYS N . 27269 1 96 . 1 1 9 9 THR H H 1 8.291 0.030 . 1 . . . . . 9 THR H . 27269 1 97 . 1 1 9 9 THR HA H 1 4.282 0.030 . 1 . . . . . 9 THR HA . 27269 1 98 . 1 1 9 9 THR HB H 1 4.236 0.030 . 1 . . . . . 9 THR HB . 27269 1 99 . 1 1 9 9 THR HG21 H 1 1.209 0.030 . 1 . . . . . 9 THR HG21 . 27269 1 100 . 1 1 9 9 THR HG22 H 1 1.209 0.030 . 1 . . . . . 9 THR HG22 . 27269 1 101 . 1 1 9 9 THR HG23 H 1 1.209 0.030 . 1 . . . . . 9 THR HG23 . 27269 1 102 . 1 1 9 9 THR C C 13 174.580 0.500 . 1 . . . . . 9 THR C . 27269 1 103 . 1 1 9 9 THR CA C 13 62.280 0.500 . 1 . . . . . 9 THR CA . 27269 1 104 . 1 1 9 9 THR CB C 13 69.551 0.500 . 1 . . . . . 9 THR CB . 27269 1 105 . 1 1 9 9 THR CG2 C 13 21.760 0.500 . 1 . . . . . 9 THR CG2 . 27269 1 106 . 1 1 9 9 THR N N 15 116.886 0.500 . 1 . . . . . 9 THR N . 27269 1 107 . 1 1 10 10 GLU H H 1 8.350 0.030 . 1 . . . . . 10 GLU H . 27269 1 108 . 1 1 10 10 GLU HA H 1 4.299 0.030 . 1 . . . . . 10 GLU HA . 27269 1 109 . 1 1 10 10 GLU HB2 H 1 2.019 0.030 . 2 . . . . . 10 GLU HB2 . 27269 1 110 . 1 1 10 10 GLU HB3 H 1 1.932 0.030 . 2 . . . . . 10 GLU HB3 . 27269 1 111 . 1 1 10 10 GLU HG2 H 1 2.250 0.030 . 2 . . . . . 10 GLU HG2 . 27269 1 112 . 1 1 10 10 GLU HG3 H 1 2.250 0.030 . 2 . . . . . 10 GLU HG3 . 27269 1 113 . 1 1 10 10 GLU C C 13 176.190 0.500 . 1 . . . . . 10 GLU C . 27269 1 114 . 1 1 10 10 GLU CA C 13 56.440 0.500 . 1 . . . . . 10 GLU CA . 27269 1 115 . 1 1 10 10 GLU CB C 13 30.286 0.500 . 1 . . . . . 10 GLU CB . 27269 1 116 . 1 1 10 10 GLU CG C 13 36.069 0.500 . 1 . . . . . 10 GLU CG . 27269 1 117 . 1 1 10 10 GLU N N 15 123.520 0.500 . 1 . . . . . 10 GLU N . 27269 1 118 . 1 1 11 11 MET H H 1 8.391 0.030 . 1 . . . . . 11 MET H . 27269 1 119 . 1 1 11 11 MET HA H 1 4.435 0.030 . 1 . . . . . 11 MET HA . 27269 1 120 . 1 1 11 11 MET HB2 H 1 2.072 0.030 . 2 . . . . . 11 MET HB2 . 27269 1 121 . 1 1 11 11 MET HB3 H 1 2.008 0.030 . 2 . . . . . 11 MET HB3 . 27269 1 122 . 1 1 11 11 MET HG2 H 1 2.613 0.030 . 2 . . . . . 11 MET HG2 . 27269 1 123 . 1 1 11 11 MET HG3 H 1 2.542 0.030 . 2 . . . . . 11 MET HG3 . 27269 1 124 . 1 1 11 11 MET HE1 H 1 2.097 0.030 . 1 . . . . . 11 MET HE1 . 27269 1 125 . 1 1 11 11 MET HE2 H 1 2.097 0.030 . 1 . . . . . 11 MET HE2 . 27269 1 126 . 1 1 11 11 MET HE3 H 1 2.097 0.030 . 1 . . . . . 11 MET HE3 . 27269 1 127 . 1 1 11 11 MET C C 13 176.190 0.500 . 1 . . . . . 11 MET C . 27269 1 128 . 1 1 11 11 MET CA C 13 55.685 0.500 . 1 . . . . . 11 MET CA . 27269 1 129 . 1 1 11 11 MET CB C 13 32.918 0.500 . 1 . . . . . 11 MET CB . 27269 1 130 . 1 1 11 11 MET CG C 13 32.003 0.500 . 1 . . . . . 11 MET CG . 27269 1 131 . 1 1 11 11 MET CE C 13 17.006 0.500 . 1 . . . . . 11 MET CE . 27269 1 132 . 1 1 11 11 MET N N 15 122.226 0.500 . 1 . . . . . 11 MET N . 27269 1 133 . 1 1 12 12 LYS H H 1 8.303 0.030 . 1 . . . . . 12 LYS H . 27269 1 134 . 1 1 12 12 LYS HA H 1 4.291 0.030 . 1 . . . . . 12 LYS HA . 27269 1 135 . 1 1 12 12 LYS HB2 H 1 1.744 0.030 . 2 . . . . . 12 LYS HB2 . 27269 1 136 . 1 1 12 12 LYS HB3 H 1 1.744 0.030 . 2 . . . . . 12 LYS HB3 . 27269 1 137 . 1 1 12 12 LYS HG2 H 1 1.462 0.030 . 2 . . . . . 12 LYS HG2 . 27269 1 138 . 1 1 12 12 LYS HG3 H 1 1.462 0.030 . 2 . . . . . 12 LYS HG3 . 27269 1 139 . 1 1 12 12 LYS HD2 H 1 1.661 0.030 . 2 . . . . . 12 LYS HD2 . 27269 1 140 . 1 1 12 12 LYS HD3 H 1 1.661 0.030 . 2 . . . . . 12 LYS HD3 . 27269 1 141 . 1 1 12 12 LYS HE2 H 1 2.970 0.030 . 2 . . . . . 12 LYS HE2 . 27269 1 142 . 1 1 12 12 LYS HE3 H 1 2.970 0.030 . 2 . . . . . 12 LYS HE3 . 27269 1 143 . 1 1 12 12 LYS C C 13 176.115 0.500 . 1 . . . . . 12 LYS C . 27269 1 144 . 1 1 12 12 LYS CA C 13 56.243 0.500 . 1 . . . . . 12 LYS CA . 27269 1 145 . 1 1 12 12 LYS CB C 13 32.942 0.500 . 1 . . . . . 12 LYS CB . 27269 1 146 . 1 1 12 12 LYS CG C 13 24.604 0.500 . 1 . . . . . 12 LYS CG . 27269 1 147 . 1 1 12 12 LYS CD C 13 29.129 0.500 . 1 . . . . . 12 LYS CD . 27269 1 148 . 1 1 12 12 LYS CE C 13 42.094 0.500 . 1 . . . . . 12 LYS CE . 27269 1 149 . 1 1 12 12 LYS N N 15 122.603 0.500 . 1 . . . . . 12 LYS N . 27269 1 150 . 1 1 13 13 LYS HA H 1 4.254 0.030 . 1 . . . . . 13 LYS HA . 27269 1 151 . 1 1 13 13 LYS HB2 H 1 1.693 0.030 . 2 . . . . . 13 LYS HB2 . 27269 1 152 . 1 1 13 13 LYS HB3 H 1 1.680 0.030 . 2 . . . . . 13 LYS HB3 . 27269 1 153 . 1 1 13 13 LYS HG2 H 1 1.403 0.030 . 2 . . . . . 13 LYS HG2 . 27269 1 154 . 1 1 13 13 LYS HG3 H 1 1.403 0.030 . 2 . . . . . 13 LYS HG3 . 27269 1 155 . 1 1 13 13 LYS HD2 H 1 1.665 0.030 . 2 . . . . . 13 LYS HD2 . 27269 1 156 . 1 1 13 13 LYS HD3 H 1 1.665 0.030 . 2 . . . . . 13 LYS HD3 . 27269 1 157 . 1 1 13 13 LYS HE2 H 1 2.977 0.030 . 2 . . . . . 13 LYS HE2 . 27269 1 158 . 1 1 13 13 LYS HE3 H 1 2.977 0.030 . 2 . . . . . 13 LYS HE3 . 27269 1 159 . 1 1 13 13 LYS C C 13 176.155 0.500 . 1 . . . . . 13 LYS C . 27269 1 160 . 1 1 13 13 LYS CA C 13 56.234 0.500 . 1 . . . . . 13 LYS CA . 27269 1 161 . 1 1 13 13 LYS CB C 13 32.916 0.500 . 1 . . . . . 13 LYS CB . 27269 1 162 . 1 1 13 13 LYS CG C 13 24.771 0.500 . 1 . . . . . 13 LYS CG . 27269 1 163 . 1 1 13 13 LYS CD C 13 28.971 0.500 . 1 . . . . . 13 LYS CD . 27269 1 164 . 1 1 13 13 LYS CE C 13 42.076 0.500 . 1 . . . . . 13 LYS CE . 27269 1 165 . 1 1 14 14 LYS H H 1 8.216 0.030 . 1 . . . . . 14 LYS H . 27269 1 166 . 1 1 14 14 LYS HA H 1 4.222 0.030 . 1 . . . . . 14 LYS HA . 27269 1 167 . 1 1 14 14 LYS HB2 H 1 1.659 0.030 . 2 . . . . . 14 LYS HB2 . 27269 1 168 . 1 1 14 14 LYS HB3 H 1 1.644 0.030 . 2 . . . . . 14 LYS HB3 . 27269 1 169 . 1 1 14 14 LYS HG2 H 1 1.270 0.030 . 2 . . . . . 14 LYS HG2 . 27269 1 170 . 1 1 14 14 LYS HG3 H 1 1.270 0.030 . 2 . . . . . 14 LYS HG3 . 27269 1 171 . 1 1 14 14 LYS HD2 H 1 1.663 0.030 . 2 . . . . . 14 LYS HD2 . 27269 1 172 . 1 1 14 14 LYS HD3 H 1 1.663 0.030 . 2 . . . . . 14 LYS HD3 . 27269 1 173 . 1 1 14 14 LYS HE2 H 1 2.976 0.030 . 2 . . . . . 14 LYS HE2 . 27269 1 174 . 1 1 14 14 LYS HE3 H 1 2.976 0.030 . 2 . . . . . 14 LYS HE3 . 27269 1 175 . 1 1 14 14 LYS C C 13 175.870 0.500 . 1 . . . . . 14 LYS C . 27269 1 176 . 1 1 14 14 LYS CA C 13 56.193 0.500 . 1 . . . . . 14 LYS CA . 27269 1 177 . 1 1 14 14 LYS CB C 13 33.094 0.500 . 1 . . . . . 14 LYS CB . 27269 1 178 . 1 1 14 14 LYS CG C 13 24.761 0.500 . 1 . . . . . 14 LYS CG . 27269 1 179 . 1 1 14 14 LYS CD C 13 29.020 0.500 . 1 . . . . . 14 LYS CD . 27269 1 180 . 1 1 14 14 LYS CE C 13 42.099 0.500 . 1 . . . . . 14 LYS CE . 27269 1 181 . 1 1 14 14 LYS N N 15 122.334 0.500 . 1 . . . . . 14 LYS N . 27269 1 182 . 1 1 15 15 PHE H H 1 8.197 0.030 . 1 . . . . . 15 PHE H . 27269 1 183 . 1 1 15 15 PHE HA H 1 4.638 0.030 . 1 . . . . . 15 PHE HA . 27269 1 184 . 1 1 15 15 PHE HB2 H 1 3.142 0.030 . 2 . . . . . 15 PHE HB2 . 27269 1 185 . 1 1 15 15 PHE HB3 H 1 2.990 0.030 . 2 . . . . . 15 PHE HB3 . 27269 1 186 . 1 1 15 15 PHE HD1 H 1 7.354 0.030 . 1 . . . . . 15 PHE HD1 . 27269 1 187 . 1 1 15 15 PHE HD2 H 1 7.354 0.030 . 1 . . . . . 15 PHE HD2 . 27269 1 188 . 1 1 15 15 PHE HE1 H 1 7.259 0.030 . 1 . . . . . 15 PHE HE1 . 27269 1 189 . 1 1 15 15 PHE HE2 H 1 7.259 0.030 . 1 . . . . . 15 PHE HE2 . 27269 1 190 . 1 1 15 15 PHE HZ H 1 7.308 0.030 . 1 . . . . . 15 PHE HZ . 27269 1 191 . 1 1 15 15 PHE C C 13 175.390 0.500 . 1 . . . . . 15 PHE C . 27269 1 192 . 1 1 15 15 PHE CA C 13 57.410 0.500 . 1 . . . . . 15 PHE CA . 27269 1 193 . 1 1 15 15 PHE CB C 13 39.912 0.500 . 1 . . . . . 15 PHE CB . 27269 1 194 . 1 1 15 15 PHE CD1 C 13 131.284 0.500 . 1 . . . . . 15 PHE CD1 . 27269 1 195 . 1 1 15 15 PHE CD2 C 13 131.284 0.500 . 1 . . . . . 15 PHE CD2 . 27269 1 196 . 1 1 15 15 PHE CE1 C 13 131.908 0.500 . 1 . . . . . 15 PHE CE1 . 27269 1 197 . 1 1 15 15 PHE CE2 C 13 131.908 0.500 . 1 . . . . . 15 PHE CE2 . 27269 1 198 . 1 1 15 15 PHE CZ C 13 129.707 0.500 . 1 . . . . . 15 PHE CZ . 27269 1 199 . 1 1 15 15 PHE N N 15 121.255 0.500 . 1 . . . . . 15 PHE N . 27269 1 200 . 1 1 16 16 LYS H H 1 8.309 0.030 . 1 . . . . . 16 LYS H . 27269 1 201 . 1 1 16 16 LYS HA H 1 4.245 0.030 . 1 . . . . . 16 LYS HA . 27269 1 202 . 1 1 16 16 LYS HB2 H 1 1.765 0.030 . 2 . . . . . 16 LYS HB2 . 27269 1 203 . 1 1 16 16 LYS HB3 H 1 1.700 0.030 . 2 . . . . . 16 LYS HB3 . 27269 1 204 . 1 1 16 16 LYS HG2 H 1 1.355 0.030 . 2 . . . . . 16 LYS HG2 . 27269 1 205 . 1 1 16 16 LYS HG3 H 1 1.355 0.030 . 2 . . . . . 16 LYS HG3 . 27269 1 206 . 1 1 16 16 LYS HD2 H 1 1.676 0.030 . 2 . . . . . 16 LYS HD2 . 27269 1 207 . 1 1 16 16 LYS HD3 H 1 1.676 0.030 . 2 . . . . . 16 LYS HD3 . 27269 1 208 . 1 1 16 16 LYS HE2 H 1 2.957 0.030 . 2 . . . . . 16 LYS HE2 . 27269 1 209 . 1 1 16 16 LYS HE3 H 1 2.957 0.030 . 2 . . . . . 16 LYS HE3 . 27269 1 210 . 1 1 16 16 LYS C C 13 175.891 0.500 . 1 . . . . . 16 LYS C . 27269 1 211 . 1 1 16 16 LYS CA C 13 56.207 0.500 . 1 . . . . . 16 LYS CA . 27269 1 212 . 1 1 16 16 LYS CB C 13 33.111 0.500 . 1 . . . . . 16 LYS CB . 27269 1 213 . 1 1 16 16 LYS CG C 13 24.674 0.500 . 1 . . . . . 16 LYS CG . 27269 1 214 . 1 1 16 16 LYS CD C 13 29.010 0.500 . 1 . . . . . 16 LYS CD . 27269 1 215 . 1 1 16 16 LYS CE C 13 42.161 0.500 . 1 . . . . . 16 LYS CE . 27269 1 216 . 1 1 16 16 LYS N N 15 122.775 0.500 . 1 . . . . . 16 LYS N . 27269 1 217 . 1 1 17 17 ASN H H 1 8.490 0.030 . 1 . . . . . 17 ASN H . 27269 1 218 . 1 1 17 17 ASN HA H 1 4.655 0.030 . 1 . . . . . 17 ASN HA . 27269 1 219 . 1 1 17 17 ASN HB2 H 1 2.867 0.030 . 2 . . . . . 17 ASN HB2 . 27269 1 220 . 1 1 17 17 ASN HB3 H 1 2.789 0.030 . 2 . . . . . 17 ASN HB3 . 27269 1 221 . 1 1 17 17 ASN HD21 H 1 6.956 0.030 . 2 . . . . . 17 ASN HD21 . 27269 1 222 . 1 1 17 17 ASN HD22 H 1 7.630 0.030 . 2 . . . . . 17 ASN HD22 . 27269 1 223 . 1 1 17 17 ASN C C 13 175.003 0.500 . 1 . . . . . 17 ASN C . 27269 1 224 . 1 1 17 17 ASN CA C 13 53.573 0.500 . 1 . . . . . 17 ASN CA . 27269 1 225 . 1 1 17 17 ASN CB C 13 38.756 0.500 . 1 . . . . . 17 ASN CB . 27269 1 226 . 1 1 17 17 ASN N N 15 120.014 0.500 . 1 . . . . . 17 ASN N . 27269 1 227 . 1 1 17 17 ASN ND2 N 15 112.612 0.500 . 1 . . . . . 17 ASN ND2 . 27269 1 228 . 1 1 18 18 CYS H H 1 8.309 0.030 . 1 . . . . . 18 CYS H . 27269 1 229 . 1 1 18 18 CYS HA H 1 4.523 0.030 . 1 . . . . . 18 CYS HA . 27269 1 230 . 1 1 18 18 CYS HB2 H 1 2.941 0.030 . 2 . . . . . 18 CYS HB2 . 27269 1 231 . 1 1 18 18 CYS HB3 H 1 2.941 0.030 . 2 . . . . . 18 CYS HB3 . 27269 1 232 . 1 1 18 18 CYS C C 13 174.156 0.500 . 1 . . . . . 18 CYS C . 27269 1 233 . 1 1 18 18 CYS CA C 13 58.485 0.500 . 1 . . . . . 18 CYS CA . 27269 1 234 . 1 1 18 18 CYS CB C 13 28.027 0.500 . 1 . . . . . 18 CYS CB . 27269 1 235 . 1 1 18 18 CYS N N 15 118.936 0.500 . 1 . . . . . 18 CYS N . 27269 1 236 . 1 1 19 19 GLU H H 1 8.455 0.030 . 1 . . . . . 19 GLU H . 27269 1 237 . 1 1 19 19 GLU HA H 1 4.347 0.030 . 1 . . . . . 19 GLU HA . 27269 1 238 . 1 1 19 19 GLU HB2 H 1 2.044 0.030 . 2 . . . . . 19 GLU HB2 . 27269 1 239 . 1 1 19 19 GLU HB3 H 1 1.962 0.030 . 2 . . . . . 19 GLU HB3 . 27269 1 240 . 1 1 19 19 GLU HG2 H 1 2.282 0.030 . 2 . . . . . 19 GLU HG2 . 27269 1 241 . 1 1 19 19 GLU HG3 H 1 2.282 0.030 . 2 . . . . . 19 GLU HG3 . 27269 1 242 . 1 1 19 19 GLU C C 13 176.105 0.500 . 1 . . . . . 19 GLU C . 27269 1 243 . 1 1 19 19 GLU CA C 13 56.358 0.500 . 1 . . . . . 19 GLU CA . 27269 1 244 . 1 1 19 19 GLU CB C 13 30.154 0.500 . 1 . . . . . 19 GLU CB . 27269 1 245 . 1 1 19 19 GLU CG C 13 35.914 0.500 . 1 . . . . . 19 GLU CG . 27269 1 246 . 1 1 19 19 GLU N N 15 123.089 0.500 . 1 . . . . . 19 GLU N . 27269 1 247 . 1 1 20 20 VAL H H 1 8.139 0.030 . 1 . . . . . 20 VAL H . 27269 1 248 . 1 1 20 20 VAL HA H 1 4.093 0.030 . 1 . . . . . 20 VAL HA . 27269 1 249 . 1 1 20 20 VAL HB H 1 2.038 0.030 . 1 . . . . . 20 VAL HB . 27269 1 250 . 1 1 20 20 VAL HG11 H 1 0.911 0.030 . 2 . . . . . 20 VAL HG11 . 27269 1 251 . 1 1 20 20 VAL HG12 H 1 0.911 0.030 . 2 . . . . . 20 VAL HG12 . 27269 1 252 . 1 1 20 20 VAL HG13 H 1 0.911 0.030 . 2 . . . . . 20 VAL HG13 . 27269 1 253 . 1 1 20 20 VAL HG21 H 1 0.910 0.030 . 2 . . . . . 20 VAL HG21 . 27269 1 254 . 1 1 20 20 VAL HG22 H 1 0.910 0.030 . 2 . . . . . 20 VAL HG22 . 27269 1 255 . 1 1 20 20 VAL HG23 H 1 0.910 0.030 . 2 . . . . . 20 VAL HG23 . 27269 1 256 . 1 1 20 20 VAL C C 13 175.879 0.500 . 1 . . . . . 20 VAL C . 27269 1 257 . 1 1 20 20 VAL CA C 13 62.289 0.500 . 1 . . . . . 20 VAL CA . 27269 1 258 . 1 1 20 20 VAL CB C 13 32.716 0.500 . 1 . . . . . 20 VAL CB . 27269 1 259 . 1 1 20 20 VAL CG1 C 13 21.139 0.500 . 1 . . . . . 20 VAL CG1 . 27269 1 260 . 1 1 20 20 VAL CG2 C 13 21.185 0.500 . 1 . . . . . 20 VAL CG2 . 27269 1 261 . 1 1 20 20 VAL N N 15 121.578 0.500 . 1 . . . . . 20 VAL N . 27269 1 262 . 1 1 21 21 ARG H H 1 8.467 0.030 . 1 . . . . . 21 ARG H . 27269 1 263 . 1 1 21 21 ARG HA H 1 4.403 0.030 . 1 . . . . . 21 ARG HA . 27269 1 264 . 1 1 21 21 ARG HB2 H 1 1.848 0.030 . 2 . . . . . 21 ARG HB2 . 27269 1 265 . 1 1 21 21 ARG HB3 H 1 1.757 0.030 . 2 . . . . . 21 ARG HB3 . 27269 1 266 . 1 1 21 21 ARG HG2 H 1 1.623 0.030 . 2 . . . . . 21 ARG HG2 . 27269 1 267 . 1 1 21 21 ARG HG3 H 1 1.623 0.030 . 2 . . . . . 21 ARG HG3 . 27269 1 268 . 1 1 21 21 ARG HD2 H 1 3.185 0.030 . 2 . . . . . 21 ARG HD2 . 27269 1 269 . 1 1 21 21 ARG HD3 H 1 3.185 0.030 . 2 . . . . . 21 ARG HD3 . 27269 1 270 . 1 1 21 21 ARG C C 13 176.077 0.500 . 1 . . . . . 21 ARG C . 27269 1 271 . 1 1 21 21 ARG CA C 13 55.848 0.500 . 1 . . . . . 21 ARG CA . 27269 1 272 . 1 1 21 21 ARG CB C 13 31.017 0.500 . 1 . . . . . 21 ARG CB . 27269 1 273 . 1 1 21 21 ARG CG C 13 27.124 0.500 . 1 . . . . . 21 ARG CG . 27269 1 274 . 1 1 21 21 ARG CD C 13 43.174 0.500 . 1 . . . . . 21 ARG CD . 27269 1 275 . 1 1 21 21 ARG N N 15 125.300 0.500 . 1 . . . . . 21 ARG N . 27269 1 276 . 1 1 22 22 CYS H H 1 8.508 0.030 . 1 . . . . . 22 CYS H . 27269 1 277 . 1 1 22 22 CYS HA H 1 4.544 0.030 . 1 . . . . . 22 CYS HA . 27269 1 278 . 1 1 22 22 CYS HB2 H 1 2.913 0.030 . 2 . . . . . 22 CYS HB2 . 27269 1 279 . 1 1 22 22 CYS HB3 H 1 2.913 0.030 . 2 . . . . . 22 CYS HB3 . 27269 1 280 . 1 1 22 22 CYS C C 13 174.018 0.500 . 1 . . . . . 22 CYS C . 27269 1 281 . 1 1 22 22 CYS CA C 13 58.332 0.500 . 1 . . . . . 22 CYS CA . 27269 1 282 . 1 1 22 22 CYS CB C 13 28.165 0.500 . 1 . . . . . 22 CYS CB . 27269 1 283 . 1 1 22 22 CYS N N 15 121.255 0.500 . 1 . . . . . 22 CYS N . 27269 1 284 . 1 1 23 23 ASP H H 1 8.508 0.030 . 1 . . . . . 23 ASP H . 27269 1 285 . 1 1 23 23 ASP HA H 1 4.629 0.030 . 1 . . . . . 23 ASP HA . 27269 1 286 . 1 1 23 23 ASP HB2 H 1 2.745 0.030 . 2 . . . . . 23 ASP HB2 . 27269 1 287 . 1 1 23 23 ASP HB3 H 1 2.693 0.030 . 2 . . . . . 23 ASP HB3 . 27269 1 288 . 1 1 23 23 ASP C C 13 176.308 0.500 . 1 . . . . . 23 ASP C . 27269 1 289 . 1 1 23 23 ASP CA C 13 54.257 0.500 . 1 . . . . . 23 ASP CA . 27269 1 290 . 1 1 23 23 ASP CB C 13 41.043 0.500 . 1 . . . . . 23 ASP CB . 27269 1 291 . 1 1 23 23 ASP N N 15 122.981 0.500 . 1 . . . . . 23 ASP N . 27269 1 292 . 1 1 24 24 GLU H H 1 8.438 0.030 . 1 . . . . . 24 GLU H . 27269 1 293 . 1 1 24 24 GLU HA H 1 4.293 0.030 . 1 . . . . . 24 GLU HA . 27269 1 294 . 1 1 24 24 GLU HB2 H 1 2.120 0.030 . 2 . . . . . 24 GLU HB2 . 27269 1 295 . 1 1 24 24 GLU HB3 H 1 1.955 0.030 . 2 . . . . . 24 GLU HB3 . 27269 1 296 . 1 1 24 24 GLU HG2 H 1 2.312 0.030 . 2 . . . . . 24 GLU HG2 . 27269 1 297 . 1 1 24 24 GLU HG3 H 1 2.312 0.030 . 2 . . . . . 24 GLU HG3 . 27269 1 298 . 1 1 24 24 GLU C C 13 176.630 0.500 . 1 . . . . . 24 GLU C . 27269 1 299 . 1 1 24 24 GLU CA C 13 56.774 0.500 . 1 . . . . . 24 GLU CA . 27269 1 300 . 1 1 24 24 GLU CB C 13 29.790 0.500 . 1 . . . . . 24 GLU CB . 27269 1 301 . 1 1 24 24 GLU CG C 13 35.856 0.500 . 1 . . . . . 24 GLU CG . 27269 1 302 . 1 1 24 24 GLU N N 15 121.471 0.500 . 1 . . . . . 24 GLU N . 27269 1 303 . 1 1 25 25 SER H H 1 8.338 0.030 . 1 . . . . . 25 SER H . 27269 1 304 . 1 1 25 25 SER HA H 1 4.359 0.030 . 1 . . . . . 25 SER HA . 27269 1 305 . 1 1 25 25 SER HB2 H 1 3.850 0.030 . 2 . . . . . 25 SER HB2 . 27269 1 306 . 1 1 25 25 SER HB3 H 1 3.850 0.030 . 2 . . . . . 25 SER HB3 . 27269 1 307 . 1 1 25 25 SER C C 13 174.274 0.500 . 1 . . . . . 25 SER C . 27269 1 308 . 1 1 25 25 SER CA C 13 58.939 0.500 . 1 . . . . . 25 SER CA . 27269 1 309 . 1 1 25 25 SER CB C 13 63.710 0.500 . 1 . . . . . 25 SER CB . 27269 1 310 . 1 1 25 25 SER N N 15 116.239 0.500 . 1 . . . . . 25 SER N . 27269 1 311 . 1 1 26 26 ASN H H 1 8.262 0.030 . 1 . . . . . 26 ASN H . 27269 1 312 . 1 1 26 26 ASN HA H 1 4.658 0.030 . 1 . . . . . 26 ASN HA . 27269 1 313 . 1 1 26 26 ASN HB2 H 1 2.816 0.030 . 2 . . . . . 26 ASN HB2 . 27269 1 314 . 1 1 26 26 ASN HB3 H 1 2.763 0.030 . 2 . . . . . 26 ASN HB3 . 27269 1 315 . 1 1 26 26 ASN HD21 H 1 6.872 0.030 . 2 . . . . . 26 ASN HD21 . 27269 1 316 . 1 1 26 26 ASN HD22 H 1 7.594 0.030 . 2 . . . . . 26 ASN HD22 . 27269 1 317 . 1 1 26 26 ASN C C 13 174.943 0.500 . 1 . . . . . 26 ASN C . 27269 1 318 . 1 1 26 26 ASN CA C 13 53.335 0.500 . 1 . . . . . 26 ASN CA . 27269 1 319 . 1 1 26 26 ASN CB C 13 38.625 0.500 . 1 . . . . . 26 ASN CB . 27269 1 320 . 1 1 26 26 ASN N N 15 119.637 0.500 . 1 . . . . . 26 ASN N . 27269 1 321 . 1 1 26 26 ASN ND2 N 15 112.503 0.500 . 1 . . . . . 26 ASN ND2 . 27269 1 322 . 1 1 27 27 HIS H H 1 8.403 0.030 . 1 . . . . . 27 HIS H . 27269 1 323 . 1 1 27 27 HIS HA H 1 4.724 0.030 . 1 . . . . . 27 HIS HA . 27269 1 324 . 1 1 27 27 HIS HB2 H 1 3.302 0.030 . 2 . . . . . 27 HIS HB2 . 27269 1 325 . 1 1 27 27 HIS HB3 H 1 3.178 0.030 . 2 . . . . . 27 HIS HB3 . 27269 1 326 . 1 1 27 27 HIS HD2 H 1 7.273 0.030 . 1 . . . . . 27 HIS HD2 . 27269 1 327 . 1 1 27 27 HIS HE1 H 1 8.573 0.030 . 1 . . . . . 27 HIS HE1 . 27269 1 328 . 1 1 27 27 HIS C C 13 174.109 0.500 . 1 . . . . . 27 HIS C . 27269 1 329 . 1 1 27 27 HIS CA C 13 55.288 0.500 . 1 . . . . . 27 HIS CA . 27269 1 330 . 1 1 27 27 HIS CB C 13 28.749 0.500 . 1 . . . . . 27 HIS CB . 27269 1 331 . 1 1 27 27 HIS CD2 C 13 120.021 0.500 . 1 . . . . . 27 HIS CD2 . 27269 1 332 . 1 1 27 27 HIS CE1 C 13 136.385 0.500 . 1 . . . . . 27 HIS CE1 . 27269 1 333 . 1 1 27 27 HIS N N 15 118.774 0.500 . 1 . . . . . 27 HIS N . 27269 1 334 . 1 1 28 28 CYS H H 1 8.379 0.030 . 1 . . . . . 28 CYS H . 27269 1 335 . 1 1 28 28 CYS HA H 1 4.519 0.030 . 1 . . . . . 28 CYS HA . 27269 1 336 . 1 1 28 28 CYS HB2 H 1 2.928 0.030 . 2 . . . . . 28 CYS HB2 . 27269 1 337 . 1 1 28 28 CYS HB3 H 1 2.928 0.030 . 2 . . . . . 28 CYS HB3 . 27269 1 338 . 1 1 28 28 CYS C C 13 174.388 0.500 . 1 . . . . . 28 CYS C . 27269 1 339 . 1 1 28 28 CYS CA C 13 58.346 0.500 . 1 . . . . . 28 CYS CA . 27269 1 340 . 1 1 28 28 CYS CB C 13 27.825 0.500 . 1 . . . . . 28 CYS CB . 27269 1 341 . 1 1 28 28 CYS N N 15 120.661 0.500 . 1 . . . . . 28 CYS N . 27269 1 342 . 1 1 29 29 VAL H H 1 8.238 0.030 . 1 . . . . . 29 VAL H . 27269 1 343 . 1 1 29 29 VAL HA H 1 4.120 0.030 . 1 . . . . . 29 VAL HA . 27269 1 344 . 1 1 29 29 VAL HB H 1 2.048 0.030 . 1 . . . . . 29 VAL HB . 27269 1 345 . 1 1 29 29 VAL HG11 H 1 0.922 0.030 . 2 . . . . . 29 VAL HG11 . 27269 1 346 . 1 1 29 29 VAL HG12 H 1 0.922 0.030 . 2 . . . . . 29 VAL HG12 . 27269 1 347 . 1 1 29 29 VAL HG13 H 1 0.922 0.030 . 2 . . . . . 29 VAL HG13 . 27269 1 348 . 1 1 29 29 VAL HG21 H 1 0.922 0.030 . 2 . . . . . 29 VAL HG21 . 27269 1 349 . 1 1 29 29 VAL HG22 H 1 0.922 0.030 . 2 . . . . . 29 VAL HG22 . 27269 1 350 . 1 1 29 29 VAL HG23 H 1 0.922 0.030 . 2 . . . . . 29 VAL HG23 . 27269 1 351 . 1 1 29 29 VAL C C 13 175.873 0.500 . 1 . . . . . 29 VAL C . 27269 1 352 . 1 1 29 29 VAL CA C 13 62.336 0.500 . 1 . . . . . 29 VAL CA . 27269 1 353 . 1 1 29 29 VAL CB C 13 32.727 0.500 . 1 . . . . . 29 VAL CB . 27269 1 354 . 1 1 29 29 VAL CG1 C 13 20.775 0.500 . 1 . . . . . 29 VAL CG1 . 27269 1 355 . 1 1 29 29 VAL CG2 C 13 20.775 0.500 . 1 . . . . . 29 VAL CG2 . 27269 1 356 . 1 1 29 29 VAL N N 15 122.387 0.500 . 1 . . . . . 29 VAL N . 27269 1 357 . 1 1 30 30 GLU H H 1 8.403 0.030 . 1 . . . . . 30 GLU H . 27269 1 358 . 1 1 30 30 GLU HA H 1 4.335 0.030 . 1 . . . . . 30 GLU HA . 27269 1 359 . 1 1 30 30 GLU HB2 H 1 2.000 0.030 . 2 . . . . . 30 GLU HB2 . 27269 1 360 . 1 1 30 30 GLU HB3 H 1 1.974 0.030 . 2 . . . . . 30 GLU HB3 . 27269 1 361 . 1 1 30 30 GLU HG2 H 1 2.247 0.030 . 2 . . . . . 30 GLU HG2 . 27269 1 362 . 1 1 30 30 GLU HG3 H 1 2.247 0.030 . 2 . . . . . 30 GLU HG3 . 27269 1 363 . 1 1 30 30 GLU C C 13 175.873 0.500 . 1 . . . . . 30 GLU C . 27269 1 364 . 1 1 30 30 GLU CA C 13 56.275 0.500 . 1 . . . . . 30 GLU CA . 27269 1 365 . 1 1 30 30 GLU CB C 13 30.202 0.500 . 1 . . . . . 30 GLU CB . 27269 1 366 . 1 1 30 30 GLU CG C 13 35.873 0.500 . 1 . . . . . 30 GLU CG . 27269 1 367 . 1 1 30 30 GLU N N 15 124.761 0.500 . 1 . . . . . 30 GLU N . 27269 1 368 . 1 1 31 31 VAL H H 1 8.250 0.030 . 1 . . . . . 31 VAL H . 27269 1 369 . 1 1 31 31 VAL HA H 1 4.109 0.030 . 1 . . . . . 31 VAL HA . 27269 1 370 . 1 1 31 31 VAL HB H 1 2.068 0.030 . 1 . . . . . 31 VAL HB . 27269 1 371 . 1 1 31 31 VAL HG11 H 1 0.924 0.030 . 2 . . . . . 31 VAL HG11 . 27269 1 372 . 1 1 31 31 VAL HG12 H 1 0.924 0.030 . 2 . . . . . 31 VAL HG12 . 27269 1 373 . 1 1 31 31 VAL HG13 H 1 0.924 0.030 . 2 . . . . . 31 VAL HG13 . 27269 1 374 . 1 1 31 31 VAL HG21 H 1 0.924 0.030 . 2 . . . . . 31 VAL HG21 . 27269 1 375 . 1 1 31 31 VAL HG22 H 1 0.924 0.030 . 2 . . . . . 31 VAL HG22 . 27269 1 376 . 1 1 31 31 VAL HG23 H 1 0.924 0.030 . 2 . . . . . 31 VAL HG23 . 27269 1 377 . 1 1 31 31 VAL C C 13 175.873 0.500 . 1 . . . . . 31 VAL C . 27269 1 378 . 1 1 31 31 VAL CA C 13 62.226 0.500 . 1 . . . . . 31 VAL CA . 27269 1 379 . 1 1 31 31 VAL CB C 13 32.751 0.500 . 1 . . . . . 31 VAL CB . 27269 1 380 . 1 1 31 31 VAL CG1 C 13 20.640 0.500 . 1 . . . . . 31 VAL CG1 . 27269 1 381 . 1 1 31 31 VAL CG2 C 13 20.640 0.500 . 1 . . . . . 31 VAL CG2 . 27269 1 382 . 1 1 31 31 VAL N N 15 122.549 0.500 . 1 . . . . . 31 VAL N . 27269 1 383 . 1 1 33 33 CYS HA H 1 4.520 0.030 . 1 . . . . . 33 CYS HA . 27269 1 384 . 1 1 33 33 CYS HB2 H 1 2.947 0.030 . 2 . . . . . 33 CYS HB2 . 27269 1 385 . 1 1 33 33 CYS HB3 H 1 2.947 0.030 . 2 . . . . . 33 CYS HB3 . 27269 1 386 . 1 1 33 33 CYS C C 13 174.570 0.500 . 1 . . . . . 33 CYS C . 27269 1 387 . 1 1 33 33 CYS CA C 13 58.414 0.500 . 1 . . . . . 33 CYS CA . 27269 1 388 . 1 1 33 33 CYS CB C 13 27.981 0.500 . 1 . . . . . 33 CYS CB . 27269 1 389 . 1 1 34 34 SER H H 1 8.479 0.030 . 1 . . . . . 34 SER H . 27269 1 390 . 1 1 34 34 SER HA H 1 4.453 0.030 . 1 . . . . . 34 SER HA . 27269 1 391 . 1 1 34 34 SER HB2 H 1 3.925 0.030 . 2 . . . . . 34 SER HB2 . 27269 1 392 . 1 1 34 34 SER HB3 H 1 3.859 0.030 . 2 . . . . . 34 SER HB3 . 27269 1 393 . 1 1 34 34 SER C C 13 174.118 0.500 . 1 . . . . . 34 SER C . 27269 1 394 . 1 1 34 34 SER CA C 13 58.570 0.500 . 1 . . . . . 34 SER CA . 27269 1 395 . 1 1 34 34 SER CB C 13 63.785 0.500 . 1 . . . . . 34 SER CB . 27269 1 396 . 1 1 34 34 SER N N 15 118.288 0.500 . 1 . . . . . 34 SER N . 27269 1 397 . 1 1 35 35 ASP H H 1 8.321 0.030 . 1 . . . . . 35 ASP H . 27269 1 398 . 1 1 35 35 ASP HA H 1 4.679 0.030 . 1 . . . . . 35 ASP HA . 27269 1 399 . 1 1 35 35 ASP HB2 H 1 2.756 0.030 . 2 . . . . . 35 ASP HB2 . 27269 1 400 . 1 1 35 35 ASP HB3 H 1 2.664 0.030 . 2 . . . . . 35 ASP HB3 . 27269 1 401 . 1 1 35 35 ASP C C 13 176.170 0.500 . 1 . . . . . 35 ASP C . 27269 1 402 . 1 1 35 35 ASP CA C 13 54.483 0.500 . 1 . . . . . 35 ASP CA . 27269 1 403 . 1 1 35 35 ASP CB C 13 41.194 0.500 . 1 . . . . . 35 ASP CB . 27269 1 404 . 1 1 35 35 ASP N N 15 122.387 0.500 . 1 . . . . . 35 ASP N . 27269 1 405 . 1 1 36 36 THR H H 1 8.080 0.030 . 1 . . . . . 36 THR H . 27269 1 406 . 1 1 36 36 THR HA H 1 4.243 0.030 . 1 . . . . . 36 THR HA . 27269 1 407 . 1 1 36 36 THR HB H 1 4.155 0.030 . 1 . . . . . 36 THR HB . 27269 1 408 . 1 1 36 36 THR HG21 H 1 1.132 0.030 . 1 . . . . . 36 THR HG21 . 27269 1 409 . 1 1 36 36 THR HG22 H 1 1.132 0.030 . 1 . . . . . 36 THR HG22 . 27269 1 410 . 1 1 36 36 THR HG23 H 1 1.132 0.030 . 1 . . . . . 36 THR HG23 . 27269 1 411 . 1 1 36 36 THR C C 13 174.421 0.500 . 1 . . . . . 36 THR C . 27269 1 412 . 1 1 36 36 THR CA C 13 62.232 0.500 . 1 . . . . . 36 THR CA . 27269 1 413 . 1 1 36 36 THR CB C 13 69.600 0.500 . 1 . . . . . 36 THR CB . 27269 1 414 . 1 1 36 36 THR CG2 C 13 21.595 0.500 . 1 . . . . . 36 THR CG2 . 27269 1 415 . 1 1 36 36 THR N N 15 114.889 0.500 . 1 . . . . . 36 THR N . 27269 1 416 . 1 1 37 37 LYS H H 1 8.256 0.030 . 1 . . . . . 37 LYS H . 27269 1 417 . 1 1 37 37 LYS HA H 1 4.240 0.030 . 1 . . . . . 37 LYS HA . 27269 1 418 . 1 1 37 37 LYS HB2 H 1 1.695 0.030 . 2 . . . . . 37 LYS HB2 . 27269 1 419 . 1 1 37 37 LYS HB3 H 1 1.642 0.030 . 2 . . . . . 37 LYS HB3 . 27269 1 420 . 1 1 37 37 LYS HG2 H 1 1.265 0.030 . 2 . . . . . 37 LYS HG2 . 27269 1 421 . 1 1 37 37 LYS HG3 H 1 1.265 0.030 . 2 . . . . . 37 LYS HG3 . 27269 1 422 . 1 1 37 37 LYS HD2 H 1 1.632 0.030 . 2 . . . . . 37 LYS HD2 . 27269 1 423 . 1 1 37 37 LYS HD3 H 1 1.632 0.030 . 2 . . . . . 37 LYS HD3 . 27269 1 424 . 1 1 37 37 LYS HE2 H 1 2.968 0.030 . 2 . . . . . 37 LYS HE2 . 27269 1 425 . 1 1 37 37 LYS HE3 H 1 2.968 0.030 . 2 . . . . . 37 LYS HE3 . 27269 1 426 . 1 1 37 37 LYS C C 13 176.108 0.500 . 1 . . . . . 37 LYS C . 27269 1 427 . 1 1 37 37 LYS CA C 13 56.275 0.500 . 1 . . . . . 37 LYS CA . 27269 1 428 . 1 1 37 37 LYS CB C 13 32.751 0.500 . 1 . . . . . 37 LYS CB . 27269 1 429 . 1 1 37 37 LYS CG C 13 24.506 0.500 . 1 . . . . . 37 LYS CG . 27269 1 430 . 1 1 37 37 LYS CD C 13 29.073 0.500 . 1 . . . . . 37 LYS CD . 27269 1 431 . 1 1 37 37 LYS CE C 13 42.076 0.500 . 1 . . . . . 37 LYS CE . 27269 1 432 . 1 1 37 37 LYS N N 15 123.520 0.500 . 1 . . . . . 37 LYS N . 27269 1 433 . 1 1 38 38 TYR H H 1 8.127 0.030 . 1 . . . . . 38 TYR H . 27269 1 434 . 1 1 38 38 TYR HA H 1 4.655 0.030 . 1 . . . . . 38 TYR HA . 27269 1 435 . 1 1 38 38 TYR HB2 H 1 3.097 0.030 . 2 . . . . . 38 TYR HB2 . 27269 1 436 . 1 1 38 38 TYR HB3 H 1 2.915 0.030 . 2 . . . . . 38 TYR HB3 . 27269 1 437 . 1 1 38 38 TYR HD1 H 1 7.124 0.030 . 1 . . . . . 38 TYR HD1 . 27269 1 438 . 1 1 38 38 TYR HD2 H 1 7.126 0.030 . 1 . . . . . 38 TYR HD2 . 27269 1 439 . 1 1 38 38 TYR HE1 H 1 6.822 0.030 . 1 . . . . . 38 TYR HE1 . 27269 1 440 . 1 1 38 38 TYR HE2 H 1 6.822 0.030 . 1 . . . . . 38 TYR HE2 . 27269 1 441 . 1 1 38 38 TYR C C 13 175.617 0.500 . 1 . . . . . 38 TYR C . 27269 1 442 . 1 1 38 38 TYR CA C 13 57.703 0.500 . 1 . . . . . 38 TYR CA . 27269 1 443 . 1 1 38 38 TYR CB C 13 38.838 0.500 . 1 . . . . . 38 TYR CB . 27269 1 444 . 1 1 38 38 TYR CD1 C 13 133.164 0.500 . 1 . . . . . 38 TYR CD1 . 27269 1 445 . 1 1 38 38 TYR CD2 C 13 133.164 0.500 . 1 . . . . . 38 TYR CD2 . 27269 1 446 . 1 1 38 38 TYR CE1 C 13 118.177 0.500 . 1 . . . . . 38 TYR CE1 . 27269 1 447 . 1 1 38 38 TYR CE2 C 13 118.177 0.500 . 1 . . . . . 38 TYR CE2 . 27269 1 448 . 1 1 38 38 TYR N N 15 120.823 0.500 . 1 . . . . . 38 TYR N . 27269 1 449 . 1 1 39 39 THR H H 1 8.004 0.030 . 1 . . . . . 39 THR H . 27269 1 450 . 1 1 39 39 THR HA H 1 4.321 0.030 . 1 . . . . . 39 THR HA . 27269 1 451 . 1 1 39 39 THR HB H 1 4.162 0.030 . 1 . . . . . 39 THR HB . 27269 1 452 . 1 1 39 39 THR HG21 H 1 1.172 0.030 . 1 . . . . . 39 THR HG21 . 27269 1 453 . 1 1 39 39 THR HG22 H 1 1.172 0.030 . 1 . . . . . 39 THR HG22 . 27269 1 454 . 1 1 39 39 THR HG23 H 1 1.172 0.030 . 1 . . . . . 39 THR HG23 . 27269 1 455 . 1 1 39 39 THR C C 13 173.772 0.500 . 1 . . . . . 39 THR C . 27269 1 456 . 1 1 39 39 THR CA C 13 61.620 0.500 . 1 . . . . . 39 THR CA . 27269 1 457 . 1 1 39 39 THR CB C 13 69.985 0.500 . 1 . . . . . 39 THR CB . 27269 1 458 . 1 1 39 39 THR CG2 C 13 21.632 0.500 . 1 . . . . . 39 THR CG2 . 27269 1 459 . 1 1 39 39 THR N N 15 116.077 0.500 . 1 . . . . . 39 THR N . 27269 1 460 . 1 1 40 40 LEU H H 1 8.227 0.030 . 1 . . . . . 40 LEU H . 27269 1 461 . 1 1 40 40 LEU HA H 1 4.396 0.030 . 1 . . . . . 40 LEU HA . 27269 1 462 . 1 1 40 40 LEU HB2 H 1 1.649 0.030 . 2 . . . . . 40 LEU HB2 . 27269 1 463 . 1 1 40 40 LEU HB3 H 1 1.649 0.030 . 2 . . . . . 40 LEU HB3 . 27269 1 464 . 1 1 40 40 LEU HG H 1 1.645 0.030 . 1 . . . . . 40 LEU HG . 27269 1 465 . 1 1 40 40 LEU HD11 H 1 0.941 0.030 . 2 . . . . . 40 LEU HD11 . 27269 1 466 . 1 1 40 40 LEU HD12 H 1 0.941 0.030 . 2 . . . . . 40 LEU HD12 . 27269 1 467 . 1 1 40 40 LEU HD13 H 1 0.941 0.030 . 2 . . . . . 40 LEU HD13 . 27269 1 468 . 1 1 40 40 LEU HD21 H 1 0.886 0.030 . 2 . . . . . 40 LEU HD21 . 27269 1 469 . 1 1 40 40 LEU HD22 H 1 0.886 0.030 . 2 . . . . . 40 LEU HD22 . 27269 1 470 . 1 1 40 40 LEU HD23 H 1 0.886 0.030 . 2 . . . . . 40 LEU HD23 . 27269 1 471 . 1 1 40 40 LEU C C 13 176.189 0.500 . 1 . . . . . 40 LEU C . 27269 1 472 . 1 1 40 40 LEU CA C 13 55.371 0.500 . 1 . . . . . 40 LEU CA . 27269 1 473 . 1 1 40 40 LEU CB C 13 42.239 0.500 . 1 . . . . . 40 LEU CB . 27269 1 474 . 1 1 40 40 LEU CG C 13 26.797 0.500 . 1 . . . . . 40 LEU CG . 27269 1 475 . 1 1 40 40 LEU CD1 C 13 24.939 0.500 . 1 . . . . . 40 LEU CD1 . 27269 1 476 . 1 1 40 40 LEU CD2 C 13 23.568 0.500 . 1 . . . . . 40 LEU CD2 . 27269 1 477 . 1 1 40 40 LEU N N 15 125.030 0.500 . 1 . . . . . 40 LEU N . 27269 1 478 . 1 1 41 41 CYS H H 1 7.893 0.030 . 1 . . . . . 41 CYS H . 27269 1 479 . 1 1 41 41 CYS HA H 1 4.369 0.030 . 1 . . . . . 41 CYS HA . 27269 1 480 . 1 1 41 41 CYS HB2 H 1 2.927 0.030 . 2 . . . . . 41 CYS HB2 . 27269 1 481 . 1 1 41 41 CYS HB3 H 1 2.927 0.030 . 2 . . . . . 41 CYS HB3 . 27269 1 482 . 1 1 41 41 CYS C C 13 178.381 0.500 . 1 . . . . . 41 CYS C . 27269 1 483 . 1 1 41 41 CYS CA C 13 59.258 0.500 . 1 . . . . . 41 CYS CA . 27269 1 484 . 1 1 41 41 CYS CB C 13 29.077 0.500 . 1 . . . . . 41 CYS CB . 27269 1 485 . 1 1 41 41 CYS N N 15 123.736 0.500 . 1 . . . . . 41 CYS N . 27269 1 stop_ save_