################################### # 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 15840 _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' . . . 15840 1 2 '3D CBCA(CO)NH' . . . 15840 1 3 '3D C(CO)NH' . . . 15840 1 4 '3D HNCO' . . . 15840 1 5 '3D HNCACB' . . . 15840 1 6 '3D H(CCO)NH' . . . 15840 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 3 $SPARKY . . 15840 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 3 3 ASP HB2 H 1 2.751 . . 2 . . . . 3 D HB2 . 15840 1 2 . 1 1 3 3 ASP HB3 H 1 2.624 . . 2 . . . . 3 D HB3 . 15840 1 3 . 1 1 3 3 ASP C C 13 176.345 . . 1 . . . . 3 D C . 15840 1 4 . 1 1 3 3 ASP CA C 13 54.405 . . 1 . . . . 3 D CA . 15840 1 5 . 1 1 3 3 ASP CB C 13 41.301 . . 1 . . . . 3 D CB . 15840 1 6 . 1 1 4 4 MET H H 1 8.523 . . 1 . . . . 4 M H . 15840 1 7 . 1 1 4 4 MET C C 13 176.763 . . 1 . . . . 4 M C . 15840 1 8 . 1 1 4 4 MET CA C 13 55.747 . . 1 . . . . 4 M CA . 15840 1 9 . 1 1 4 4 MET CB C 13 32.501 . . 1 . . . . 4 M CB . 15840 1 10 . 1 1 4 4 MET N N 15 121.991 . . 1 . . . . 4 M N . 15840 1 11 . 1 1 5 5 THR H H 1 8.303 . . 1 . . . . 5 T H . 15840 1 12 . 1 1 5 5 THR HA H 1 4.266 . . 1 . . . . 5 T HA . 15840 1 13 . 1 1 5 5 THR HB H 1 4.246 . . 1 . . . . 5 T HB . 15840 1 14 . 1 1 5 5 THR HG21 H 1 1.219 . . . . . . . 5 T QG2 . 15840 1 15 . 1 1 5 5 THR HG22 H 1 1.219 . . . . . . . 5 T QG2 . 15840 1 16 . 1 1 5 5 THR HG23 H 1 1.219 . . . . . . . 5 T QG2 . 15840 1 17 . 1 1 5 5 THR C C 13 174.950 . . 1 . . . . 5 T C . 15840 1 18 . 1 1 5 5 THR CA C 13 62.855 . . 1 . . . . 5 T CA . 15840 1 19 . 1 1 5 5 THR CB C 13 69.981 . . 1 . . . . 5 T CB . 15840 1 20 . 1 1 5 5 THR CG2 C 13 22.022 . . 1 . . . . 5 T CG2 . 15840 1 21 . 1 1 5 5 THR N N 15 115.170 . . 1 . . . . 5 T N . 15840 1 22 . 1 1 6 6 GLU H H 1 8.371 . . 1 . . . . 6 E H . 15840 1 23 . 1 1 6 6 GLU HA H 1 4.244 . . 1 . . . . 6 E HA . 15840 1 24 . 1 1 6 6 GLU HB2 H 1 2.000 . . 2 . . . . 6 E QB . 15840 1 25 . 1 1 6 6 GLU HB3 H 1 2.000 . . 2 . . . . 6 E QB . 15840 1 26 . 1 1 6 6 GLU HG2 H 1 2.264 . . 2 . . . . 6 E QG . 15840 1 27 . 1 1 6 6 GLU HG3 H 1 2.264 . . 2 . . . . 6 E QG . 15840 1 28 . 1 1 6 6 GLU C C 13 176.855 . . 1 . . . . 6 E C . 15840 1 29 . 1 1 6 6 GLU CA C 13 57.225 . . 1 . . . . 6 E CA . 15840 1 30 . 1 1 6 6 GLU CB C 13 30.211 . . 1 . . . . 6 E CB . 15840 1 31 . 1 1 6 6 GLU CG C 13 36.442 . . 1 . . . . 6 E CG . 15840 1 32 . 1 1 6 6 GLU N N 15 122.690 . . 1 . . . . 6 E N . 15840 1 33 . 1 1 7 7 GLU H H 1 8.374 . . 1 . . . . 7 E H . 15840 1 34 . 1 1 7 7 GLU HA H 1 4.261 . . 1 . . . . 7 E HA . 15840 1 35 . 1 1 7 7 GLU HG2 H 1 2.270 . . 2 . . . . 7 E QG . 15840 1 36 . 1 1 7 7 GLU HG3 H 1 2.270 . . 2 . . . . 7 E QG . 15840 1 37 . 1 1 7 7 GLU C C 13 176.960 . . 1 . . . . 7 E C . 15840 1 38 . 1 1 7 7 GLU CA C 13 57.262 . . 1 . . . . 7 E CA . 15840 1 39 . 1 1 7 7 GLU CB C 13 30.264 . . 1 . . . . 7 E CB . 15840 1 40 . 1 1 7 7 GLU CG C 13 36.518 . . 1 . . . . 7 E CG . 15840 1 41 . 1 1 7 7 GLU N N 15 121.328 . . 1 . . . . 7 E N . 15840 1 42 . 1 1 8 8 THR H H 1 8.079 . . 1 . . . . 8 T H . 15840 1 43 . 1 1 8 8 THR HA H 1 4.228 . . 1 . . . . 8 T HA . 15840 1 44 . 1 1 8 8 THR HG21 H 1 1.220 . . . . . . . 8 T QG2 . 15840 1 45 . 1 1 8 8 THR HG22 H 1 1.220 . . . . . . . 8 T QG2 . 15840 1 46 . 1 1 8 8 THR HG23 H 1 1.220 . . . . . . . 8 T QG2 . 15840 1 47 . 1 1 8 8 THR C C 13 174.850 . . 1 . . . . 8 T C . 15840 1 48 . 1 1 8 8 THR CA C 13 62.518 . . 1 . . . . 8 T CA . 15840 1 49 . 1 1 8 8 THR CB C 13 69.740 . . 1 . . . . 8 T CB . 15840 1 50 . 1 1 8 8 THR CG2 C 13 22.100 . . 1 . . . . 8 T CG2 . 15840 1 51 . 1 1 8 8 THR N N 15 114.741 . . 1 . . . . 8 T N . 15840 1 52 . 1 1 9 9 ARG H H 1 8.258 . . 1 . . . . 9 R H . 15840 1 53 . 1 1 9 9 ARG HA H 1 4.289 . . 1 . . . . 9 R HA . 15840 1 54 . 1 1 9 9 ARG HB2 H 1 1.838 . . 2 . . . . 9 R QB . 15840 1 55 . 1 1 9 9 ARG HB3 H 1 1.838 . . 2 . . . . 9 R QB . 15840 1 56 . 1 1 9 9 ARG HD2 H 1 3.185 . . 2 . . . . 9 R QD . 15840 1 57 . 1 1 9 9 ARG HD3 H 1 3.185 . . 2 . . . . 9 R QD . 15840 1 58 . 1 1 9 9 ARG HG2 H 1 1.637 . . 2 . . . . 9 R QG . 15840 1 59 . 1 1 9 9 ARG HG3 H 1 1.637 . . 2 . . . . 9 R QG . 15840 1 60 . 1 1 9 9 ARG C C 13 176.360 . . 1 . . . . 9 R C . 15840 1 61 . 1 1 9 9 ARG CA C 13 56.671 . . 1 . . . . 9 R CA . 15840 1 62 . 1 1 9 9 ARG CB C 13 30.919 . . 1 . . . . 9 R CB . 15840 1 63 . 1 1 9 9 ARG CD C 13 43.507 . . 1 . . . . 9 R CD . 15840 1 64 . 1 1 9 9 ARG CG C 13 27.370 . . 1 . . . . 9 R CG . 15840 1 65 . 1 1 9 9 ARG N N 15 123.577 . . 1 . . . . 9 R N . 15840 1 66 . 1 1 10 10 LYS H H 1 8.274 . . 1 . . . . 10 K H . 15840 1 67 . 1 1 10 10 LYS HA H 1 4.313 . . 1 . . . . 10 K HA . 15840 1 68 . 1 1 10 10 LYS HB2 H 1 1.800 . . 2 . . . . 10 K QB . 15840 1 69 . 1 1 10 10 LYS HB3 H 1 1.800 . . 2 . . . . 10 K QB . 15840 1 70 . 1 1 10 10 LYS HE2 H 1 3.004 . . 2 . . . . 10 K QE . 15840 1 71 . 1 1 10 10 LYS HE3 H 1 3.004 . . 2 . . . . 10 K QE . 15840 1 72 . 1 1 10 10 LYS HG2 H 1 1.432 . . 2 . . . . 10 K QG . 15840 1 73 . 1 1 10 10 LYS HG3 H 1 1.432 . . 2 . . . . 10 K QG . 15840 1 74 . 1 1 10 10 LYS C C 13 176.133 . . 1 . . . . 10 K C . 15840 1 75 . 1 1 10 10 LYS CA C 13 56.497 . . 1 . . . . 10 K CA . 15840 1 76 . 1 1 10 10 LYS CB C 13 33.189 . . 1 . . . . 10 K CB . 15840 1 77 . 1 1 10 10 LYS CD C 13 15.366 . . 1 . . . . 10 K CD . 15840 1 78 . 1 1 10 10 LYS CE C 13 42.381 . . 1 . . . . 10 K CE . 15840 1 79 . 1 1 10 10 LYS CG C 13 24.838 . . 1 . . . . 10 K CG . 15840 1 80 . 1 1 10 10 LYS N N 15 121.649 . . 1 . . . . 10 K N . 15840 1 81 . 1 1 11 11 ASP H H 1 8.369 . . 1 . . . . 11 D H . 15840 1 82 . 1 1 11 11 ASP HA H 1 4.607 . . 1 . . . . 11 D HA . 15840 1 83 . 1 1 11 11 ASP HB2 H 1 2.687 . . 2 . . . . 11 D HB2 . 15840 1 84 . 1 1 11 11 ASP HB3 H 1 2.591 . . 2 . . . . 11 D HB3 . 15840 1 85 . 1 1 11 11 ASP C C 13 175.686 . . 1 . . . . 11 D C . 15840 1 86 . 1 1 11 11 ASP CA C 13 54.144 . . 1 . . . . 11 D CA . 15840 1 87 . 1 1 11 11 ASP CB C 13 40.931 . . 1 . . . . 11 D CB . 15840 1 88 . 1 1 11 11 ASP N N 15 120.236 . . 1 . . . . 11 D N . 15840 1 89 . 1 1 12 12 LEU H H 1 7.862 . . 1 . . . . 12 L H . 15840 1 90 . 1 1 12 12 LEU HA H 1 4.603 . . 1 . . . . 12 L HA . 15840 1 91 . 1 1 12 12 LEU HB2 H 1 1.611 . . 2 . . . . 12 L HB2 . 15840 1 92 . 1 1 12 12 LEU HB3 H 1 1.397 . . 2 . . . . 12 L HB3 . 15840 1 93 . 1 1 12 12 LEU CA C 13 52.925 . . 1 . . . . 12 L CA . 15840 1 94 . 1 1 12 12 LEU CB C 13 42.917 . . 1 . . . . 12 L CB . 15840 1 95 . 1 1 12 12 LEU N N 15 122.697 . . 1 . . . . 12 L N . 15840 1 96 . 1 1 14 14 PRO HA H 1 4.231 . . 1 . . . . 14 P HA . 15840 1 97 . 1 1 14 14 PRO HB2 H 1 1.958 . . 2 . . . . 14 P QB . 15840 1 98 . 1 1 14 14 PRO HB3 H 1 1.958 . . 2 . . . . 14 P QB . 15840 1 99 . 1 1 14 14 PRO C C 13 178.916 . . 1 . . . . 14 P C . 15840 1 100 . 1 1 14 14 PRO CA C 13 65.485 . . 1 . . . . 14 P CA . 15840 1 101 . 1 1 14 14 PRO CB C 13 32.230 . . 1 . . . . 14 P CB . 15840 1 102 . 1 1 14 14 PRO CD C 13 50.476 . . 1 . . . . 14 P CD . 15840 1 103 . 1 1 14 14 PRO CG C 13 27.854 . . 1 . . . . 14 P CG . 15840 1 104 . 1 1 15 15 GLU H H 1 9.442 . . 1 . . . . 15 E H . 15840 1 105 . 1 1 15 15 GLU HA H 1 4.086 . . 1 . . . . 15 E HA . 15840 1 106 . 1 1 15 15 GLU HB2 H 1 2.045 . . 2 . . . . 15 E QB . 15840 1 107 . 1 1 15 15 GLU HB3 H 1 2.045 . . 2 . . . . 15 E QB . 15840 1 108 . 1 1 15 15 GLU HG2 H 1 2.370 . . 2 . . . . 15 E QG . 15840 1 109 . 1 1 15 15 GLU HG3 H 1 2.370 . . 2 . . . . 15 E QG . 15840 1 110 . 1 1 15 15 GLU C C 13 178.417 . . 1 . . . . 15 E C . 15840 1 111 . 1 1 15 15 GLU CA C 13 59.416 . . 1 . . . . 15 E CA . 15840 1 112 . 1 1 15 15 GLU CB C 13 28.764 . . 1 . . . . 15 E CB . 15840 1 113 . 1 1 15 15 GLU CG C 13 36.367 . . 1 . . . . 15 E CG . 15840 1 114 . 1 1 15 15 GLU N N 15 118.213 . . 1 . . . . 15 E N . 15840 1 115 . 1 1 16 16 ALA H H 1 7.644 . . 1 . . . . 16 A H . 15840 1 116 . 1 1 16 16 ALA HA H 1 4.310 . . 1 . . . . 16 A HA . 15840 1 117 . 1 1 16 16 ALA HB1 H 1 1.537 . . . . . . . 16 A QB . 15840 1 118 . 1 1 16 16 ALA HB2 H 1 1.537 . . . . . . . 16 A QB . 15840 1 119 . 1 1 16 16 ALA HB3 H 1 1.537 . . . . . . . 16 A QB . 15840 1 120 . 1 1 16 16 ALA C C 13 179.936 . . 1 . . . . 16 A C . 15840 1 121 . 1 1 16 16 ALA CA C 13 54.210 . . 1 . . . . 16 A CA . 15840 1 122 . 1 1 16 16 ALA CB C 13 19.119 . . 1 . . . . 16 A CB . 15840 1 123 . 1 1 16 16 ALA N N 15 123.571 . . 1 . . . . 16 A N . 15840 1 124 . 1 1 17 17 LEU H H 1 7.784 . . 1 . . . . 17 L H . 15840 1 125 . 1 1 17 17 LEU HA H 1 4.101 . . 1 . . . . 17 L HA . 15840 1 126 . 1 1 17 17 LEU HB2 H 1 1.804 . . 2 . . . . 17 L HB2 . 15840 1 127 . 1 1 17 17 LEU HB3 H 1 1.597 . . 2 . . . . 17 L HB3 . 15840 1 128 . 1 1 17 17 LEU HD11 H 1 0.925 . . . . . . . 17 L QD1 . 15840 1 129 . 1 1 17 17 LEU HD12 H 1 0.925 . . . . . . . 17 L QD1 . 15840 1 130 . 1 1 17 17 LEU HD13 H 1 0.925 . . . . . . . 17 L QD1 . 15840 1 131 . 1 1 17 17 LEU HD21 H 1 0.899 . . . . . . . 17 L QD2 . 15840 1 132 . 1 1 17 17 LEU HD22 H 1 0.899 . . . . . . . 17 L QD2 . 15840 1 133 . 1 1 17 17 LEU HD23 H 1 0.899 . . . . . . . 17 L QD2 . 15840 1 134 . 1 1 17 17 LEU C C 13 179.693 . . 1 . . . . 17 L C . 15840 1 135 . 1 1 17 17 LEU CA C 13 57.662 . . 1 . . . . 17 L CA . 15840 1 136 . 1 1 17 17 LEU CB C 13 41.806 . . 1 . . . . 17 L CB . 15840 1 137 . 1 1 17 17 LEU CD1 C 13 25.379 . . 2 . . . . 17 L CD1 . 15840 1 138 . 1 1 17 17 LEU CD2 C 13 23.690 . . 2 . . . . 17 L CD2 . 15840 1 139 . 1 1 17 17 LEU CG C 13 26.744 . . 1 . . . . 17 L CG . 15840 1 140 . 1 1 17 17 LEU N N 15 119.445 . . 1 . . . . 17 L N . 15840 1 141 . 1 1 18 18 ARG H H 1 8.131 . . 1 . . . . 18 R H . 15840 1 142 . 1 1 18 18 ARG HA H 1 4.120 . . 1 . . . . 18 R HA . 15840 1 143 . 1 1 18 18 ARG HD2 H 1 3.215 . . 2 . . . . 18 R QD . 15840 1 144 . 1 1 18 18 ARG HD3 H 1 3.215 . . 2 . . . . 18 R QD . 15840 1 145 . 1 1 18 18 ARG C C 13 178.027 . . 1 . . . . 18 R C . 15840 1 146 . 1 1 18 18 ARG CA C 13 59.110 . . 1 . . . . 18 R CA . 15840 1 147 . 1 1 18 18 ARG CB C 13 30.092 . . 1 . . . . 18 R CB . 15840 1 148 . 1 1 18 18 ARG CD C 13 43.474 . . 1 . . . . 18 R CD . 15840 1 149 . 1 1 18 18 ARG CG C 13 27.441 . . 1 . . . . 18 R CG . 15840 1 150 . 1 1 18 18 ARG N N 15 120.478 . . 1 . . . . 18 R N . 15840 1 151 . 1 1 19 19 ALA H H 1 7.742 . . 1 . . . . 19 A H . 15840 1 152 . 1 1 19 19 ALA HA H 1 4.224 . . 1 . . . . 19 A HA . 15840 1 153 . 1 1 19 19 ALA HB1 H 1 1.517 . . . . . . . 19 A QB . 15840 1 154 . 1 1 19 19 ALA HB2 H 1 1.517 . . . . . . . 19 A QB . 15840 1 155 . 1 1 19 19 ALA HB3 H 1 1.517 . . . . . . . 19 A QB . 15840 1 156 . 1 1 19 19 ALA C C 13 180.823 . . 1 . . . . 19 A C . 15840 1 157 . 1 1 19 19 ALA CA C 13 54.951 . . 1 . . . . 19 A CA . 15840 1 158 . 1 1 19 19 ALA CB C 13 18.211 . . 1 . . . . 19 A CB . 15840 1 159 . 1 1 19 19 ALA N N 15 121.732 . . 1 . . . . 19 A N . 15840 1 160 . 1 1 20 20 LEU H H 1 7.901 . . 1 . . . . 20 L H . 15840 1 161 . 1 1 20 20 LEU HA H 1 4.180 . . 1 . . . . 20 L HA . 15840 1 162 . 1 1 20 20 LEU HB2 H 1 1.827 . . 2 . . . . 20 L QB . 15840 1 163 . 1 1 20 20 LEU HB3 H 1 1.827 . . 2 . . . . 20 L QB . 15840 1 164 . 1 1 20 20 LEU HD11 H 1 0.883 . . . . . . . 20 L QD1 . 15840 1 165 . 1 1 20 20 LEU HD12 H 1 0.883 . . . . . . . 20 L QD1 . 15840 1 166 . 1 1 20 20 LEU HD13 H 1 0.883 . . . . . . . 20 L QD1 . 15840 1 167 . 1 1 20 20 LEU HD21 H 1 0.833 . . . . . . . 20 L QD2 . 15840 1 168 . 1 1 20 20 LEU HD22 H 1 0.833 . . . . . . . 20 L QD2 . 15840 1 169 . 1 1 20 20 LEU HD23 H 1 0.833 . . . . . . . 20 L QD2 . 15840 1 170 . 1 1 20 20 LEU C C 13 179.133 . . 1 . . . . 20 L C . 15840 1 171 . 1 1 20 20 LEU CA C 13 57.725 . . 1 . . . . 20 L CA . 15840 1 172 . 1 1 20 20 LEU CB C 13 42.116 . . 1 . . . . 20 L CB . 15840 1 173 . 1 1 20 20 LEU CD1 C 13 25.274 . . 2 . . . . 20 L CD1 . 15840 1 174 . 1 1 20 20 LEU CD2 C 13 23.675 . . 2 . . . . 20 L CD2 . 15840 1 175 . 1 1 20 20 LEU CG C 13 26.758 . . 1 . . . . 20 L CG . 15840 1 176 . 1 1 20 20 LEU N N 15 120.211 . . 1 . . . . 20 L N . 15840 1 177 . 1 1 21 21 ALA H H 1 8.002 . . 1 . . . . 21 A H . 15840 1 178 . 1 1 21 21 ALA HA H 1 4.214 . . 1 . . . . 21 A HA . 15840 1 179 . 1 1 21 21 ALA HB1 H 1 1.539 . . . . . . . 21 A QB . 15840 1 180 . 1 1 21 21 ALA HB2 H 1 1.539 . . . . . . . 21 A QB . 15840 1 181 . 1 1 21 21 ALA HB3 H 1 1.539 . . . . . . . 21 A QB . 15840 1 182 . 1 1 21 21 ALA C C 13 180.804 . . 1 . . . . 21 A C . 15840 1 183 . 1 1 21 21 ALA CA C 13 54.989 . . 1 . . . . 21 A CA . 15840 1 184 . 1 1 21 21 ALA CB C 13 18.155 . . 1 . . . . 21 A CB . 15840 1 185 . 1 1 21 21 ALA N N 15 123.149 . . 1 . . . . 21 A N . 15840 1 186 . 1 1 22 22 GLU H H 1 8.395 . . 1 . . . . 22 E H . 15840 1 187 . 1 1 22 22 GLU HA H 1 4.089 . . 1 . . . . 22 E HA . 15840 1 188 . 1 1 22 22 GLU HB2 H 1 2.235 . . 2 . . . . 22 E HB2 . 15840 1 189 . 1 1 22 22 GLU HB3 H 1 2.105 . . 2 . . . . 22 E HB3 . 15840 1 190 . 1 1 22 22 GLU HG2 H 1 2.468 . . 2 . . . . 22 E QG . 15840 1 191 . 1 1 22 22 GLU HG3 H 1 2.468 . . 2 . . . . 22 E QG . 15840 1 192 . 1 1 22 22 GLU C C 13 178.872 . . 1 . . . . 22 E C . 15840 1 193 . 1 1 22 22 GLU CA C 13 59.182 . . 1 . . . . 22 E CA . 15840 1 194 . 1 1 22 22 GLU CB C 13 29.477 . . 1 . . . . 22 E CB . 15840 1 195 . 1 1 22 22 GLU CG C 13 36.794 . . 1 . . . . 22 E CG . 15840 1 196 . 1 1 22 22 GLU N N 15 119.562 . . 1 . . . . 22 E N . 15840 1 197 . 1 1 23 23 ALA H H 1 7.970 . . 1 . . . . 23 A H . 15840 1 198 . 1 1 23 23 ALA HA H 1 4.115 . . 1 . . . . 23 A HA . 15840 1 199 . 1 1 23 23 ALA HB1 H 1 1.556 . . . . . . . 23 A QB . 15840 1 200 . 1 1 23 23 ALA HB2 H 1 1.556 . . . . . . . 23 A QB . 15840 1 201 . 1 1 23 23 ALA HB3 H 1 1.556 . . . . . . . 23 A QB . 15840 1 202 . 1 1 23 23 ALA C C 13 180.434 . . 1 . . . . 23 A C . 15840 1 203 . 1 1 23 23 ALA CA C 13 55.274 . . 1 . . . . 23 A CA . 15840 1 204 . 1 1 23 23 ALA CB C 13 18.235 . . 1 . . . . 23 A CB . 15840 1 205 . 1 1 23 23 ALA N N 15 122.368 . . 1 . . . . 23 A N . 15840 1 206 . 1 1 24 24 GLU H H 1 8.108 . . 1 . . . . 24 E H . 15840 1 207 . 1 1 24 24 GLU HA H 1 4.123 . . 1 . . . . 24 E HA . 15840 1 208 . 1 1 24 24 GLU HG2 H 1 2.340 . . 2 . . . . 24 E QG . 15840 1 209 . 1 1 24 24 GLU HG3 H 1 2.340 . . 2 . . . . 24 E QG . 15840 1 210 . 1 1 24 24 GLU CA C 13 59.229 . . 1 . . . . 24 E CA . 15840 1 211 . 1 1 24 24 GLU CB C 13 29.108 . . 1 . . . . 24 E CB . 15840 1 212 . 1 1 24 24 GLU CG C 13 36.153 . . 1 . . . . 24 E CG . 15840 1 213 . 1 1 24 24 GLU N N 15 119.548 . . 1 . . . . 24 E N . 15840 1 214 . 1 1 25 25 GLU H H 1 8.033 . . 1 . . . . 25 E H . 15840 1 215 . 1 1 25 25 GLU HA H 1 3.991 . . 1 . . . . 25 E HA . 15840 1 216 . 1 1 25 25 GLU CB C 13 30.280 . . 1 . . . . 25 E CB . 15840 1 217 . 1 1 25 25 GLU N N 15 118.739 . . 1 . . . . 25 E N . 15840 1 218 . 1 1 28 28 ARG HA H 1 4.065 . . 1 . . . . 28 R HA . 15840 1 219 . 1 1 28 28 ARG HD2 H 1 3.209 . . 2 . . . . 28 R QD . 15840 1 220 . 1 1 28 28 ARG HD3 H 1 3.209 . . 2 . . . . 28 R QD . 15840 1 221 . 1 1 28 28 ARG HG2 H 1 1.604 . . 2 . . . . 28 R QG . 15840 1 222 . 1 1 28 28 ARG HG3 H 1 1.604 . . 2 . . . . 28 R QG . 15840 1 223 . 1 1 28 28 ARG CA C 13 58.962 . . 1 . . . . 28 R CA . 15840 1 224 . 1 1 28 28 ARG CB C 13 30.633 . . 1 . . . . 28 R CB . 15840 1 225 . 1 1 28 28 ARG CD C 13 43.509 . . 1 . . . . 28 R CD . 15840 1 226 . 1 1 28 28 ARG CG C 13 27.857 . . 1 . . . . 28 R CG . 15840 1 227 . 1 1 29 29 ARG H H 1 8.056 . . 1 . . . . 29 R H . 15840 1 228 . 1 1 29 29 ARG HA H 1 4.147 . . 1 . . . . 29 R HA . 15840 1 229 . 1 1 29 29 ARG HB2 H 1 1.829 . . 2 . . . . 29 R QB . 15840 1 230 . 1 1 29 29 ARG HB3 H 1 1.829 . . 2 . . . . 29 R QB . 15840 1 231 . 1 1 29 29 ARG HD2 H 1 3.195 . . 2 . . . . 29 R QD . 15840 1 232 . 1 1 29 29 ARG HD3 H 1 3.195 . . 2 . . . . 29 R QD . 15840 1 233 . 1 1 29 29 ARG HG2 H 1 1.647 . . 2 . . . . 29 R QG . 15840 1 234 . 1 1 29 29 ARG HG3 H 1 1.647 . . 2 . . . . 29 R QG . 15840 1 235 . 1 1 29 29 ARG C C 13 177.397 . . 1 . . . . 29 R C . 15840 1 236 . 1 1 29 29 ARG CA C 13 57.986 . . 1 . . . . 29 R CA . 15840 1 237 . 1 1 29 29 ARG CB C 13 30.547 . . 1 . . . . 29 R CB . 15840 1 238 . 1 1 29 29 ARG CD C 13 43.584 . . 1 . . . . 29 R CD . 15840 1 239 . 1 1 29 29 ARG CG C 13 27.801 . . 1 . . . . 29 R CG . 15840 1 240 . 1 1 29 29 ARG N N 15 119.221 . . 1 . . . . 29 R N . 15840 1 241 . 1 1 30 30 ALA H H 1 7.804 . . 1 . . . . 30 A H . 15840 1 242 . 1 1 30 30 ALA HA H 1 4.217 . . 1 . . . . 30 A HA . 15840 1 243 . 1 1 30 30 ALA HB1 H 1 1.471 . . . . . . . 30 A QB . 15840 1 244 . 1 1 30 30 ALA HB2 H 1 1.471 . . . . . . . 30 A QB . 15840 1 245 . 1 1 30 30 ALA HB3 H 1 1.471 . . . . . . . 30 A QB . 15840 1 246 . 1 1 30 30 ALA C C 13 178.704 . . 1 . . . . 30 A C . 15840 1 247 . 1 1 30 30 ALA CA C 13 53.902 . . 1 . . . . 30 A CA . 15840 1 248 . 1 1 30 30 ALA CB C 13 18.815 . . 1 . . . . 30 A CB . 15840 1 249 . 1 1 30 30 ALA N N 15 122.081 . . 1 . . . . 30 A N . 15840 1 250 . 1 1 31 31 LYS H H 1 7.879 . . 1 . . . . 31 K H . 15840 1 251 . 1 1 31 31 LYS HA H 1 4.229 . . 1 . . . . 31 K HA . 15840 1 252 . 1 1 31 31 LYS HB2 H 1 1.862 . . 2 . . . . 31 K QB . 15840 1 253 . 1 1 31 31 LYS HB3 H 1 1.862 . . 2 . . . . 31 K QB . 15840 1 254 . 1 1 31 31 LYS HD2 H 1 1.694 . . 2 . . . . 31 K QD . 15840 1 255 . 1 1 31 31 LYS HD3 H 1 1.694 . . 2 . . . . 31 K QD . 15840 1 256 . 1 1 31 31 LYS HE2 H 1 2.995 . . 2 . . . . 31 K QE . 15840 1 257 . 1 1 31 31 LYS HE3 H 1 2.995 . . 2 . . . . 31 K QE . 15840 1 258 . 1 1 31 31 LYS HG2 H 1 1.511 . . 2 . . . . 31 K QG . 15840 1 259 . 1 1 31 31 LYS HG3 H 1 1.511 . . 2 . . . . 31 K QG . 15840 1 260 . 1 1 31 31 LYS C C 13 176.966 . . 1 . . . . 31 K C . 15840 1 261 . 1 1 31 31 LYS CA C 13 57.013 . . 1 . . . . 31 K CA . 15840 1 262 . 1 1 31 31 LYS CB C 13 32.774 . . 1 . . . . 31 K CB . 15840 1 263 . 1 1 31 31 LYS CD C 13 29.279 . . 1 . . . . 31 K CD . 15840 1 264 . 1 1 31 31 LYS CE C 13 42.370 . . 1 . . . . 31 K CE . 15840 1 265 . 1 1 31 31 LYS CG C 13 24.731 . . 1 . . . . 31 K CG . 15840 1 266 . 1 1 31 31 LYS N N 15 118.717 . . 1 . . . . 31 K N . 15840 1 267 . 1 1 32 32 ALA H H 1 7.917 . . 1 . . . . 32 A H . 15840 1 268 . 1 1 32 32 ALA HA H 1 4.265 . . 1 . . . . 32 A HA . 15840 1 269 . 1 1 32 32 ALA HB1 H 1 1.435 . . . . . . . 32 A QB . 15840 1 270 . 1 1 32 32 ALA HB2 H 1 1.435 . . . . . . . 32 A QB . 15840 1 271 . 1 1 32 32 ALA HB3 H 1 1.435 . . . . . . . 32 A QB . 15840 1 272 . 1 1 32 32 ALA C C 13 177.910 . . 1 . . . . 32 A C . 15840 1 273 . 1 1 32 32 ALA CA C 13 53.231 . . 1 . . . . 32 A CA . 15840 1 274 . 1 1 32 32 ALA CB C 13 19.057 . . 1 . . . . 32 A CB . 15840 1 275 . 1 1 32 32 ALA N N 15 123.155 . . 1 . . . . 32 A N . 15840 1 276 . 1 1 33 33 LEU H H 1 7.929 . . 1 . . . . 33 L H . 15840 1 277 . 1 1 33 33 LEU HA H 1 4.292 . . 1 . . . . 33 L HA . 15840 1 278 . 1 1 33 33 LEU HB2 H 1 1.679 . . 2 . . . . 33 L QB . 15840 1 279 . 1 1 33 33 LEU HB3 H 1 1.679 . . 2 . . . . 33 L QB . 15840 1 280 . 1 1 33 33 LEU HG H 1 1.665 . . 1 . . . . 33 L HG . 15840 1 281 . 1 1 33 33 LEU C C 13 177.026 . . 1 . . . . 33 L C . 15840 1 282 . 1 1 33 33 LEU CA C 13 55.537 . . 1 . . . . 33 L CA . 15840 1 283 . 1 1 33 33 LEU CB C 13 42.495 . . 1 . . . . 33 L CB . 15840 1 284 . 1 1 33 33 LEU CG C 13 27.554 . . 1 . . . . 33 L CG . 15840 1 285 . 1 1 33 33 LEU N N 15 119.677 . . 1 . . . . 33 L N . 15840 1 286 . 1 1 34 34 ASP H H 1 8.077 . . 1 . . . . 34 D H . 15840 1 287 . 1 1 34 34 ASP HA H 1 4.605 . . 1 . . . . 34 D HA . 15840 1 288 . 1 1 34 34 ASP HB2 H 1 2.711 . . 2 . . . . 34 D HB2 . 15840 1 289 . 1 1 34 34 ASP HB3 H 1 2.558 . . 2 . . . . 34 D HB3 . 15840 1 290 . 1 1 34 34 ASP C C 13 175.620 . . 1 . . . . 34 D C . 15840 1 291 . 1 1 34 34 ASP CA C 13 54.197 . . 1 . . . . 34 D CA . 15840 1 292 . 1 1 34 34 ASP CB C 13 41.188 . . 1 . . . . 34 D CB . 15840 1 293 . 1 1 34 34 ASP N N 15 120.520 . . 1 . . . . 34 D N . 15840 1 294 . 1 1 35 35 LEU H H 1 7.958 . . 1 . . . . 35 L H . 15840 1 295 . 1 1 35 35 LEU HA H 1 4.578 . . 1 . . . . 35 L HA . 15840 1 296 . 1 1 35 35 LEU HB2 H 1 1.579 . . 2 . . . . 35 L QB . 15840 1 297 . 1 1 35 35 LEU HB3 H 1 1.579 . . 2 . . . . 35 L QB . 15840 1 298 . 1 1 35 35 LEU CA C 13 53.314 . . 1 . . . . 35 L CA . 15840 1 299 . 1 1 35 35 LEU CB C 13 41.954 . . 1 . . . . 35 L CB . 15840 1 300 . 1 1 35 35 LEU N N 15 123.256 . . 1 . . . . 35 L N . 15840 1 301 . 1 1 36 36 PRO HA H 1 4.396 . . 1 . . . . 36 P HA . 15840 1 302 . 1 1 36 36 PRO CA C 13 63.256 . . 1 . . . . 36 P CA . 15840 1 303 . 1 1 36 36 PRO CB C 13 32.219 . . 1 . . . . 36 P CB . 15840 1 304 . 1 1 36 36 PRO CD C 13 50.572 . . 1 . . . . 36 P CD . 15840 1 305 . 1 1 36 36 PRO CG C 13 27.681 . . 1 . . . . 36 P CG . 15840 1 306 . 1 1 37 37 LYS H H 1 8.379 . . 1 . . . . 37 K H . 15840 1 307 . 1 1 37 37 LYS HA H 1 4.251 . . 1 . . . . 37 K HA . 15840 1 308 . 1 1 37 37 LYS HB2 H 1 1.780 . . 2 . . . . 37 K QB . 15840 1 309 . 1 1 37 37 LYS HB3 H 1 1.780 . . 2 . . . . 37 K QB . 15840 1 310 . 1 1 37 37 LYS HE2 H 1 3.003 . . 2 . . . . 37 K QE . 15840 1 311 . 1 1 37 37 LYS HE3 H 1 3.003 . . 2 . . . . 37 K QE . 15840 1 312 . 1 1 37 37 LYS HG2 H 1 1.462 . . 2 . . . . 37 K QG . 15840 1 313 . 1 1 37 37 LYS HG3 H 1 1.462 . . 2 . . . . 37 K QG . 15840 1 314 . 1 1 37 37 LYS C C 13 176.735 . . 1 . . . . 37 K C . 15840 1 315 . 1 1 37 37 LYS CA C 13 56.588 . . 1 . . . . 37 K CA . 15840 1 316 . 1 1 37 37 LYS CB C 13 33.287 . . 1 . . . . 37 K CB . 15840 1 317 . 1 1 37 37 LYS CD C 13 29.057 . . 1 . . . . 37 K CD . 15840 1 318 . 1 1 37 37 LYS CE C 13 42.425 . . 1 . . . . 37 K CE . 15840 1 319 . 1 1 37 37 LYS CG C 13 24.964 . . 1 . . . . 37 K CG . 15840 1 320 . 1 1 37 37 LYS N N 15 121.594 . . 1 . . . . 37 K N . 15840 1 321 . 1 1 38 38 GLU H H 1 8.431 . . 1 . . . . 38 E H . 15840 1 322 . 1 1 38 38 GLU HA H 1 4.309 . . 1 . . . . 38 E HA . 15840 1 323 . 1 1 38 38 GLU HB2 H 1 1.967 . . 2 . . . . 38 E QB . 15840 1 324 . 1 1 38 38 GLU HB3 H 1 1.967 . . 2 . . . . 38 E QB . 15840 1 325 . 1 1 38 38 GLU HG2 H 1 2.234 . . 2 . . . . 38 E QG . 15840 1 326 . 1 1 38 38 GLU HG3 H 1 2.234 . . 2 . . . . 38 E QG . 15840 1 327 . 1 1 38 38 GLU C C 13 176.448 . . 1 . . . . 38 E C . 15840 1 328 . 1 1 38 38 GLU CA C 13 56.546 . . 1 . . . . 38 E CA . 15840 1 329 . 1 1 38 38 GLU CB C 13 30.222 . . 1 . . . . 38 E CB . 15840 1 330 . 1 1 38 38 GLU CG C 13 36.365 . . 1 . . . . 38 E CG . 15840 1 331 . 1 1 38 38 GLU N N 15 121.691 . . 1 . . . . 38 E N . 15840 1 332 . 1 1 39 39 ILE H H 1 8.235 . . 1 . . . . 39 I H . 15840 1 333 . 1 1 39 39 ILE HA H 1 4.171 . . 1 . . . . 39 I HA . 15840 1 334 . 1 1 39 39 ILE HB H 1 1.876 . . 1 . . . . 39 I HB . 15840 1 335 . 1 1 39 39 ILE HD11 H 1 0.862 . . . . . . . 39 I QD1 . 15840 1 336 . 1 1 39 39 ILE HD12 H 1 0.862 . . . . . . . 39 I QD1 . 15840 1 337 . 1 1 39 39 ILE HD13 H 1 0.862 . . . . . . . 39 I QD1 . 15840 1 338 . 1 1 39 39 ILE HG12 H 1 1.468 . . 2 . . . . 39 I HG12 . 15840 1 339 . 1 1 39 39 ILE HG13 H 1 1.190 . . 2 . . . . 39 I HG13 . 15840 1 340 . 1 1 39 39 ILE HG21 H 1 0.906 . . . . . . . 39 I QG2 . 15840 1 341 . 1 1 39 39 ILE HG22 H 1 0.906 . . . . . . . 39 I QG2 . 15840 1 342 . 1 1 39 39 ILE HG23 H 1 0.906 . . . . . . . 39 I QG2 . 15840 1 343 . 1 1 39 39 ILE C C 13 176.825 . . 1 . . . . 39 I C . 15840 1 344 . 1 1 39 39 ILE CA C 13 61.641 . . 1 . . . . 39 I CA . 15840 1 345 . 1 1 39 39 ILE CB C 13 38.824 . . 1 . . . . 39 I CB . 15840 1 346 . 1 1 39 39 ILE CD1 C 13 13.464 . . 1 . . . . 39 I CD1 . 15840 1 347 . 1 1 39 39 ILE CG1 C 13 27.572 . . 1 . . . . 39 I CG1 . 15840 1 348 . 1 1 39 39 ILE CG2 C 13 17.815 . . 1 . . . . 39 I CG2 . 15840 1 349 . 1 1 39 39 ILE N N 15 122.003 . . 1 . . . . 39 I N . 15840 1 350 . 1 1 40 40 GLY H H 1 8.486 . . 1 . . . . 40 G H . 15840 1 351 . 1 1 40 40 GLY HA2 H 1 3.966 . . 2 . . . . 40 G QA . 15840 1 352 . 1 1 40 40 GLY HA3 H 1 3.966 . . 2 . . . . 40 G QA . 15840 1 353 . 1 1 40 40 GLY C C 13 174.636 . . 1 . . . . 40 G C . 15840 1 354 . 1 1 40 40 GLY CA C 13 45.434 . . 1 . . . . 40 G CA . 15840 1 355 . 1 1 40 40 GLY N N 15 112.609 . . 1 . . . . 40 G N . 15840 1 356 . 1 1 41 41 GLY H H 1 8.263 . . 1 . . . . 41 G H . 15840 1 357 . 1 1 41 41 GLY HA2 H 1 3.960 . . 2 . . . . 41 G QA . 15840 1 358 . 1 1 41 41 GLY HA3 H 1 3.960 . . 2 . . . . 41 G QA . 15840 1 359 . 1 1 41 41 GLY C C 13 174.298 . . 1 . . . . 41 G C . 15840 1 360 . 1 1 41 41 GLY CA C 13 45.390 . . 1 . . . . 41 G CA . 15840 1 361 . 1 1 41 41 GLY N N 15 108.678 . . 1 . . . . 41 G N . 15840 1 362 . 1 1 42 42 ARG H H 1 8.278 . . 1 . . . . 42 R H . 15840 1 363 . 1 1 42 42 ARG HA H 1 4.342 . . 1 . . . . 42 R HA . 15840 1 364 . 1 1 42 42 ARG HB2 H 1 1.792 . . 2 . . . . 42 R QB . 15840 1 365 . 1 1 42 42 ARG HB3 H 1 1.792 . . 2 . . . . 42 R QB . 15840 1 366 . 1 1 42 42 ARG HD2 H 1 3.181 . . 2 . . . . 42 R QD . 15840 1 367 . 1 1 42 42 ARG HD3 H 1 3.181 . . 2 . . . . 42 R QD . 15840 1 368 . 1 1 42 42 ARG HG2 H 1 1.608 . . 2 . . . . 42 R QG . 15840 1 369 . 1 1 42 42 ARG HG3 H 1 1.608 . . 2 . . . . 42 R QG . 15840 1 370 . 1 1 42 42 ARG C C 13 176.129 . . 1 . . . . 42 R C . 15840 1 371 . 1 1 42 42 ARG CA C 13 56.352 . . 1 . . . . 42 R CA . 15840 1 372 . 1 1 42 42 ARG CB C 13 30.903 . . 1 . . . . 42 R CB . 15840 1 373 . 1 1 42 42 ARG CD C 13 43.658 . . 1 . . . . 42 R CD . 15840 1 374 . 1 1 42 42 ARG CG C 13 27.389 . . 1 . . . . 42 R CG . 15840 1 375 . 1 1 42 42 ARG N N 15 120.487 . . 1 . . . . 42 R N . 15840 1 376 . 1 1 43 43 ASN H H 1 8.547 . . 1 . . . . 43 N H . 15840 1 377 . 1 1 43 43 ASN HA H 1 4.779 . . 1 . . . . 43 N HA . 15840 1 378 . 1 1 43 43 ASN HB2 H 1 2.850 . . 2 . . . . 43 N HB2 . 15840 1 379 . 1 1 43 43 ASN HB3 H 1 2.720 . . 2 . . . . 43 N HB3 . 15840 1 380 . 1 1 43 43 ASN HD21 H 1 6.901 . . 2 . . . . 43 N HD21 . 15840 1 381 . 1 1 43 43 ASN HD22 H 1 7.607 . . 2 . . . . 43 N HD22 . 15840 1 382 . 1 1 43 43 ASN C C 13 175.116 . . 1 . . . . 43 N C . 15840 1 383 . 1 1 43 43 ASN CA C 13 53.457 . . 1 . . . . 43 N CA . 15840 1 384 . 1 1 43 43 ASN CB C 13 39.465 . . 1 . . . . 43 N CB . 15840 1 385 . 1 1 43 43 ASN N N 15 119.702 . . 1 . . . . 43 N N . 15840 1 386 . 1 1 43 43 ASN ND2 N 15 113.097 . . 1 . . . . 43 N ND2 . 15840 1 387 . 1 1 44 44 GLY H H 1 8.112 . . 1 . . . . 44 G H . 15840 1 388 . 1 1 44 44 GLY HA2 H 1 4.090 . . 2 . . . . 44 G QA . 15840 1 389 . 1 1 44 44 GLY HA3 H 1 4.090 . . 2 . . . . 44 G QA . 15840 1 390 . 1 1 44 44 GLY CA C 13 44.674 . . 1 . . . . 44 G CA . 15840 1 391 . 1 1 44 44 GLY N N 15 109.375 . . 1 . . . . 44 G N . 15840 1 392 . 1 1 45 45 PRO HA H 1 4.434 . . 1 . . . . 45 P HA . 15840 1 393 . 1 1 45 45 PRO HB2 H 1 2.233 . . 2 . . . . 45 P QB . 15840 1 394 . 1 1 45 45 PRO HB3 H 1 2.233 . . 2 . . . . 45 P QB . 15840 1 395 . 1 1 45 45 PRO HD2 H 1 3.596 . . 2 . . . . 45 P QD . 15840 1 396 . 1 1 45 45 PRO HD3 H 1 3.596 . . 2 . . . . 45 P QD . 15840 1 397 . 1 1 45 45 PRO HG2 H 1 1.930 . . 2 . . . . 45 P QG . 15840 1 398 . 1 1 45 45 PRO HG3 H 1 1.930 . . 2 . . . . 45 P QG . 15840 1 399 . 1 1 45 45 PRO C C 13 176.868 . . 1 . . . . 45 P C . 15840 1 400 . 1 1 45 45 PRO CA C 13 63.102 . . 1 . . . . 45 P CA . 15840 1 401 . 1 1 45 45 PRO CB C 13 32.289 . . 1 . . . . 45 P CB . 15840 1 402 . 1 1 45 45 PRO CD C 13 49.712 . . 1 . . . . 45 P CD . 15840 1 403 . 1 1 45 45 PRO CG C 13 27.222 . . 1 . . . . 45 P CG . 15840 1 404 . 1 1 46 46 GLU H H 1 8.475 . . 1 . . . . 46 E H . 15840 1 405 . 1 1 46 46 GLU HA H 1 4.512 . . 1 . . . . 46 E HA . 15840 1 406 . 1 1 46 46 GLU HB2 H 1 2.006 . . 2 . . . . 46 E HB2 . 15840 1 407 . 1 1 46 46 GLU HB3 H 1 1.897 . . 2 . . . . 46 E HB3 . 15840 1 408 . 1 1 46 46 GLU HG2 H 1 2.294 . . 2 . . . . 46 E QG . 15840 1 409 . 1 1 46 46 GLU HG3 H 1 2.294 . . 2 . . . . 46 E QG . 15840 1 410 . 1 1 46 46 GLU CA C 13 54.580 . . 1 . . . . 46 E CA . 15840 1 411 . 1 1 46 46 GLU CB C 13 29.939 . . 1 . . . . 46 E CB . 15840 1 412 . 1 1 46 46 GLU N N 15 122.767 . . 1 . . . . 46 E N . 15840 1 413 . 1 1 47 47 PRO HA H 1 4.415 . . 1 . . . . 47 P HA . 15840 1 414 . 1 1 47 47 PRO C C 13 176.633 . . 1 . . . . 47 P C . 15840 1 415 . 1 1 47 47 PRO CA C 13 63.168 . . 1 . . . . 47 P CA . 15840 1 416 . 1 1 47 47 PRO CB C 13 32.244 . . 1 . . . . 47 P CB . 15840 1 417 . 1 1 47 47 PRO CD C 13 50.700 . . 1 . . . . 47 P CD . 15840 1 418 . 1 1 47 47 PRO CG C 13 27.551 . . 1 . . . . 47 P CG . 15840 1 419 . 1 1 48 48 VAL H H 1 8.187 . . 1 . . . . 48 V H . 15840 1 420 . 1 1 48 48 VAL HA H 1 3.994 . . 1 . . . . 48 V HA . 15840 1 421 . 1 1 48 48 VAL HB H 1 1.993 . . 1 . . . . 48 V HB . 15840 1 422 . 1 1 48 48 VAL HG11 H 1 0.940 . . . . . . . 48 V QG1 . 15840 1 423 . 1 1 48 48 VAL HG12 H 1 0.940 . . . . . . . 48 V QG1 . 15840 1 424 . 1 1 48 48 VAL HG13 H 1 0.940 . . . . . . . 48 V QG1 . 15840 1 425 . 1 1 48 48 VAL HG21 H 1 0.898 . . . . . . . 48 V QG2 . 15840 1 426 . 1 1 48 48 VAL HG22 H 1 0.898 . . . . . . . 48 V QG2 . 15840 1 427 . 1 1 48 48 VAL HG23 H 1 0.898 . . . . . . . 48 V QG2 . 15840 1 428 . 1 1 48 48 VAL C C 13 176.010 . . 1 . . . . 48 V C . 15840 1 429 . 1 1 48 48 VAL CA C 13 62.813 . . 1 . . . . 48 V CA . 15840 1 430 . 1 1 48 48 VAL CB C 13 32.914 . . 1 . . . . 48 V CB . 15840 1 431 . 1 1 48 48 VAL N N 15 120.890 . . 1 . . . . 48 V N . 15840 1 432 . 1 1 49 49 ARG H H 1 8.419 . . 1 . . . . 49 R H . 15840 1 433 . 1 1 49 49 ARG HA H 1 4.343 . . 1 . . . . 49 R HA . 15840 1 434 . 1 1 49 49 ARG HB2 H 1 1.699 . . 2 . . . . 49 R QB . 15840 1 435 . 1 1 49 49 ARG HB3 H 1 1.699 . . 2 . . . . 49 R QB . 15840 1 436 . 1 1 49 49 ARG HD2 H 1 3.024 . . 2 . . . . 49 R QD . 15840 1 437 . 1 1 49 49 ARG HD3 H 1 3.024 . . 2 . . . . 49 R QD . 15840 1 438 . 1 1 49 49 ARG HG2 H 1 1.509 . . 2 . . . . 49 R QG . 15840 1 439 . 1 1 49 49 ARG HG3 H 1 1.509 . . 2 . . . . 49 R QG . 15840 1 440 . 1 1 49 49 ARG C C 13 175.876 . . 1 . . . . 49 R C . 15840 1 441 . 1 1 49 49 ARG CA C 13 55.685 . . 1 . . . . 49 R CA . 15840 1 442 . 1 1 49 49 ARG CB C 13 30.941 . . 1 . . . . 49 R CB . 15840 1 443 . 1 1 49 49 ARG CD C 13 43.649 . . 1 . . . . 49 R CD . 15840 1 444 . 1 1 49 49 ARG CG C 13 27.327 . . 1 . . . . 49 R CG . 15840 1 445 . 1 1 49 49 ARG N N 15 125.755 . . 1 . . . . 49 R N . 15840 1 446 . 1 1 50 50 PHE H H 1 8.345 . . 1 . . . . 50 F H . 15840 1 447 . 1 1 50 50 PHE HA H 1 4.333 . . 1 . . . . 50 F HA . 15840 1 448 . 1 1 50 50 PHE C C 13 177.794 . . 1 . . . . 50 F C . 15840 1 449 . 1 1 50 50 PHE CA C 13 55.402 . . 1 . . . . 50 F CA . 15840 1 450 . 1 1 50 50 PHE CB C 13 42.709 . . 1 . . . . 50 F CB . 15840 1 451 . 1 1 50 50 PHE N N 15 124.399 . . 1 . . . . 50 F N . 15840 1 452 . 1 1 51 51 GLY H H 1 8.427 . . 1 . . . . 51 G H . 15840 1 453 . 1 1 51 51 GLY HA2 H 1 3.841 . . 2 . . . . 51 G HA2 . 15840 1 454 . 1 1 51 51 GLY HA3 H 1 3.748 . . 2 . . . . 51 G HA3 . 15840 1 455 . 1 1 51 51 GLY C C 13 174.125 . . 1 . . . . 51 G C . 15840 1 456 . 1 1 51 51 GLY CA C 13 45.465 . . 1 . . . . 51 G CA . 15840 1 457 . 1 1 51 51 GLY N N 15 109.373 . . 1 . . . . 51 G N . 15840 1 458 . 1 1 52 52 ASP H H 1 8.236 . . 1 . . . . 52 D H . 15840 1 459 . 1 1 52 52 ASP HA H 1 4.532 . . 1 . . . . 52 D HA . 15840 1 460 . 1 1 52 52 ASP HB2 H 1 2.588 . . 2 . . . . 52 D QB . 15840 1 461 . 1 1 52 52 ASP HB3 H 1 2.588 . . 2 . . . . 52 D QB . 15840 1 462 . 1 1 52 52 ASP C C 13 176.631 . . 1 . . . . 52 D C . 15840 1 463 . 1 1 52 52 ASP CA C 13 54.852 . . 1 . . . . 52 D CA . 15840 1 464 . 1 1 52 52 ASP CB C 13 40.862 . . 1 . . . . 52 D CB . 15840 1 465 . 1 1 52 52 ASP N N 15 120.815 . . 1 . . . . 52 D N . 15840 1 466 . 1 1 53 53 TRP H H 1 7.917 . . 1 . . . . 53 W H . 15840 1 467 . 1 1 53 53 TRP HA H 1 4.514 . . 1 . . . . 53 W HA . 15840 1 468 . 1 1 53 53 TRP HB2 H 1 3.296 . . 2 . . . . 53 W QB . 15840 1 469 . 1 1 53 53 TRP HB3 H 1 3.296 . . 2 . . . . 53 W QB . 15840 1 470 . 1 1 53 53 TRP HE1 H 1 10.152 . . 1 . . . . 53 W HE1 . 15840 1 471 . 1 1 53 53 TRP C C 13 176.736 . . 1 . . . . 53 W C . 15840 1 472 . 1 1 53 53 TRP CA C 13 58.069 . . 1 . . . . 53 W CA . 15840 1 473 . 1 1 53 53 TRP CB C 13 29.327 . . 1 . . . . 53 W CB . 15840 1 474 . 1 1 53 53 TRP N N 15 120.482 . . 1 . . . . 53 W N . 15840 1 475 . 1 1 53 53 TRP NE1 N 15 129.644 . . 1 . . . . 53 W NE1 . 15840 1 476 . 1 1 54 54 GLU H H 1 8.053 . . 1 . . . . 54 E H . 15840 1 477 . 1 1 54 54 GLU HA H 1 4.041 . . 1 . . . . 54 E HA . 15840 1 478 . 1 1 54 54 GLU HG2 H 1 1.908 . . 2 . . . . 54 E QG . 15840 1 479 . 1 1 54 54 GLU HG3 H 1 1.908 . . 2 . . . . 54 E QG . 15840 1 480 . 1 1 54 54 GLU C C 13 176.645 . . 1 . . . . 54 E C . 15840 1 481 . 1 1 54 54 GLU CA C 13 57.402 . . 1 . . . . 54 E CA . 15840 1 482 . 1 1 54 54 GLU CB C 13 30.002 . . 1 . . . . 54 E CB . 15840 1 483 . 1 1 54 54 GLU CG C 13 36.607 . . 1 . . . . 54 E CG . 15840 1 484 . 1 1 54 54 GLU N N 15 121.238 . . 1 . . . . 54 E N . 15840 1 485 . 1 1 55 55 LYS H H 1 7.970 . . 1 . . . . 55 K H . 15840 1 486 . 1 1 55 55 LYS HA H 1 4.186 . . 1 . . . . 55 K HA . 15840 1 487 . 1 1 55 55 LYS HB2 H 1 1.773 . . 2 . . . . 55 K QB . 15840 1 488 . 1 1 55 55 LYS HB3 H 1 1.773 . . 2 . . . . 55 K QB . 15840 1 489 . 1 1 55 55 LYS HD2 H 1 1.649 . . 2 . . . . 55 K QD . 15840 1 490 . 1 1 55 55 LYS HD3 H 1 1.649 . . 2 . . . . 55 K QD . 15840 1 491 . 1 1 55 55 LYS HE2 H 1 2.947 . . 2 . . . . 55 K QE . 15840 1 492 . 1 1 55 55 LYS HE3 H 1 2.947 . . 2 . . . . 55 K QE . 15840 1 493 . 1 1 55 55 LYS HG2 H 1 1.383 . . 2 . . . . 55 K QG . 15840 1 494 . 1 1 55 55 LYS HG3 H 1 1.383 . . 2 . . . . 55 K QG . 15840 1 495 . 1 1 55 55 LYS C C 13 176.632 . . 1 . . . . 55 K C . 15840 1 496 . 1 1 55 55 LYS CA C 13 56.721 . . 1 . . . . 55 K CA . 15840 1 497 . 1 1 55 55 LYS CB C 13 32.647 . . 1 . . . . 55 K CB . 15840 1 498 . 1 1 55 55 LYS CD C 13 29.218 . . 1 . . . . 55 K CD . 15840 1 499 . 1 1 55 55 LYS CE C 13 42.365 . . 1 . . . . 55 K CE . 15840 1 500 . 1 1 55 55 LYS CG C 13 24.843 . . 1 . . . . 55 K CG . 15840 1 501 . 1 1 55 55 LYS N N 15 120.843 . . 1 . . . . 55 K N . 15840 1 502 . 1 1 56 56 LYS H H 1 8.136 . . 1 . . . . 56 K H . 15840 1 503 . 1 1 56 56 LYS HA H 1 4.266 . . 1 . . . . 56 K HA . 15840 1 504 . 1 1 56 56 LYS HB2 H 1 1.781 . . 2 . . . . 56 K QB . 15840 1 505 . 1 1 56 56 LYS HB3 H 1 1.781 . . 2 . . . . 56 K QB . 15840 1 506 . 1 1 56 56 LYS HD2 H 1 1.627 . . 2 . . . . 56 K QD . 15840 1 507 . 1 1 56 56 LYS HD3 H 1 1.627 . . 2 . . . . 56 K QD . 15840 1 508 . 1 1 56 56 LYS HE2 H 1 2.938 . . 2 . . . . 56 K QE . 15840 1 509 . 1 1 56 56 LYS HE3 H 1 2.938 . . 2 . . . . 56 K QE . 15840 1 510 . 1 1 56 56 LYS HG2 H 1 1.407 . . 2 . . . . 56 K QG . 15840 1 511 . 1 1 56 56 LYS HG3 H 1 1.407 . . 2 . . . . 56 K QG . 15840 1 512 . 1 1 56 56 LYS C C 13 177.087 . . 1 . . . . 56 K C . 15840 1 513 . 1 1 56 56 LYS CA C 13 56.645 . . 1 . . . . 56 K CA . 15840 1 514 . 1 1 56 56 LYS CB C 13 33.201 . . 1 . . . . 56 K CB . 15840 1 515 . 1 1 56 56 LYS CD C 13 29.254 . . 1 . . . . 56 K CD . 15840 1 516 . 1 1 56 56 LYS CE C 13 42.504 . . 1 . . . . 56 K CE . 15840 1 517 . 1 1 56 56 LYS CG C 13 24.956 . . 1 . . . . 56 K CG . 15840 1 518 . 1 1 56 56 LYS N N 15 121.337 . . 1 . . . . 56 K N . 15840 1 519 . 1 1 57 57 GLY H H 1 8.336 . . 1 . . . . 57 G H . 15840 1 520 . 1 1 57 57 GLY HA2 H 1 3.905 . . 2 . . . . 57 G QA . 15840 1 521 . 1 1 57 57 GLY HA3 H 1 3.905 . . 2 . . . . 57 G QA . 15840 1 522 . 1 1 57 57 GLY C C 13 173.925 . . 1 . . . . 57 G C . 15840 1 523 . 1 1 57 57 GLY CA C 13 45.483 . . 1 . . . . 57 G CA . 15840 1 524 . 1 1 57 57 GLY N N 15 109.580 . . 1 . . . . 57 G N . 15840 1 525 . 1 1 58 58 ILE H H 1 7.859 . . 1 . . . . 58 I H . 15840 1 526 . 1 1 58 58 ILE HA H 1 4.142 . . 1 . . . . 58 I HA . 15840 1 527 . 1 1 58 58 ILE HB H 1 1.824 . . 1 . . . . 58 I HB . 15840 1 528 . 1 1 58 58 ILE HG12 H 1 1.317 . . 2 . . . . 58 I HG12 . 15840 1 529 . 1 1 58 58 ILE HG13 H 1 1.126 . . 2 . . . . 58 I HG13 . 15840 1 530 . 1 1 58 58 ILE C C 13 175.788 . . 1 . . . . 58 I C . 15840 1 531 . 1 1 58 58 ILE CA C 13 61.227 . . 1 . . . . 58 I CA . 15840 1 532 . 1 1 58 58 ILE CB C 13 39.077 . . 1 . . . . 58 I CB . 15840 1 533 . 1 1 58 58 ILE CG1 C 13 27.233 . . 1 . . . . 58 I CG1 . 15840 1 534 . 1 1 58 58 ILE CG2 C 13 17.697 . . 1 . . . . 58 I CG2 . 15840 1 535 . 1 1 58 58 ILE N N 15 119.684 . . 1 . . . . 58 I N . 15840 1 536 . 1 1 59 59 ALA H H 1 8.299 . . 1 . . . . 59 A H . 15840 1 537 . 1 1 59 59 ALA HA H 1 4.330 . . 1 . . . . 59 A HA . 15840 1 538 . 1 1 59 59 ALA HB1 H 1 1.372 . . . . . . . 59 A QB . 15840 1 539 . 1 1 59 59 ALA HB2 H 1 1.372 . . . . . . . 59 A QB . 15840 1 540 . 1 1 59 59 ALA HB3 H 1 1.372 . . . . . . . 59 A QB . 15840 1 541 . 1 1 59 59 ALA C C 13 177.669 . . 1 . . . . 59 A C . 15840 1 542 . 1 1 59 59 ALA CA C 13 52.685 . . 1 . . . . 59 A CA . 15840 1 543 . 1 1 59 59 ALA CB C 13 19.331 . . 1 . . . . 59 A CB . 15840 1 544 . 1 1 59 59 ALA N N 15 127.884 . . 1 . . . . 59 A N . 15840 1 545 . 1 1 60 60 ILE H H 1 8.058 . . 1 . . . . 60 I H . 15840 1 546 . 1 1 60 60 ILE HA H 1 4.042 . . 1 . . . . 60 I HA . 15840 1 547 . 1 1 60 60 ILE HB H 1 1.765 . . 1 . . . . 60 I HB . 15840 1 548 . 1 1 60 60 ILE HD11 H 1 0.811 . . . . . . . 60 I QD1 . 15840 1 549 . 1 1 60 60 ILE HD12 H 1 0.811 . . . . . . . 60 I QD1 . 15840 1 550 . 1 1 60 60 ILE HD13 H 1 0.811 . . . . . . . 60 I QD1 . 15840 1 551 . 1 1 60 60 ILE HG12 H 1 1.393 . . 2 . . . . 60 I HG12 . 15840 1 552 . 1 1 60 60 ILE HG13 H 1 1.114 . . 2 . . . . 60 I HG13 . 15840 1 553 . 1 1 60 60 ILE HG21 H 1 0.765 . . . . . . . 60 I QG2 . 15840 1 554 . 1 1 60 60 ILE HG22 H 1 0.765 . . . . . . . 60 I QG2 . 15840 1 555 . 1 1 60 60 ILE HG23 H 1 0.765 . . . . . . . 60 I QG2 . 15840 1 556 . 1 1 60 60 ILE C C 13 175.861 . . 1 . . . . 60 I C . 15840 1 557 . 1 1 60 60 ILE CA C 13 61.723 . . 1 . . . . 60 I CA . 15840 1 558 . 1 1 60 60 ILE CB C 13 38.987 . . 1 . . . . 60 I CB . 15840 1 559 . 1 1 60 60 ILE CD1 C 13 13.642 . . 1 . . . . 60 I CD1 . 15840 1 560 . 1 1 60 60 ILE CG1 C 13 27.689 . . 1 . . . . 60 I CG1 . 15840 1 561 . 1 1 60 60 ILE CG2 C 13 17.774 . . 1 . . . . 60 I CG2 . 15840 1 562 . 1 1 60 60 ILE N N 15 120.033 . . 1 . . . . 60 I N . 15840 1 563 . 1 1 61 61 ASP H H 1 8.249 . . 1 . . . . 61 D H . 15840 1 564 . 1 1 61 61 ASP HA H 1 4.538 . . 1 . . . . 61 D HA . 15840 1 565 . 1 1 61 61 ASP HB2 H 1 2.583 . . 2 . . . . 61 D QB . 15840 1 566 . 1 1 61 61 ASP HB3 H 1 2.583 . . 2 . . . . 61 D QB . 15840 1 567 . 1 1 61 61 ASP CA C 13 54.414 . . 1 . . . . 61 D CA . 15840 1 568 . 1 1 61 61 ASP CB C 13 41.166 . . 1 . . . . 61 D CB . 15840 1 569 . 1 1 61 61 ASP N N 15 122.953 . . 1 . . . . 61 D N . 15840 1 570 . 1 1 62 62 PHE H H 1 8.069 . . 1 . . . . 62 F H . 15840 1 571 . 1 1 62 62 PHE HB2 H 1 3.073 . . 2 . . . . 62 F QB . 15840 1 572 . 1 1 62 62 PHE HB3 H 1 3.073 . . 2 . . . . 62 F QB . 15840 1 573 . 1 1 62 62 PHE C C 13 175.999 . . 1 . . . . 62 F C . 15840 1 574 . 1 1 62 62 PHE CA C 13 58.659 . . 1 . . . . 62 F CA . 15840 1 575 . 1 1 62 62 PHE CB C 13 39.408 . . 1 . . . . 62 F CB . 15840 1 576 . 1 1 62 62 PHE N N 15 120.714 . . 1 . . . . 62 F N . 15840 1 stop_ save_