################################### # 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 16483 _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' . . . 16483 1 2 '2D 1H-13C HSQC' . . . 16483 1 3 '3D CBCA(CO)NH' . . . 16483 1 4 '3D C(CO)NH' . . . 16483 1 5 '3D HNCO' . . . 16483 1 6 '3D HCCH-TOCSY' . . . 16483 1 7 '3D 1H-15N NOESY' . . . 16483 1 8 '3D 1H-13C NOESY' . . . 16483 1 9 '3D HCCH-COSY' . . . 16483 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 1 1 GLY HA2 H 1 3.687 0.005 1 2 . . . . -1 G QA . 16483 1 2 . 1 1 1 1 GLY HA3 H 1 3.687 0.005 1 2 . . . . -1 G QA . 16483 1 3 . 1 1 1 1 GLY CA C 13 43.981 0.005 1 1 . . . . -1 G CA . 16483 1 4 . 1 1 2 2 SER HA H 1 4.444 0.005 1 1 . . . . 0 S HA . 16483 1 5 . 1 1 2 2 SER HB2 H 1 3.840 0.005 1 2 . . . . 0 S HB2 . 16483 1 6 . 1 1 2 2 SER HB3 H 1 3.780 0.005 1 2 . . . . 0 S HB3 . 16483 1 7 . 1 1 2 2 SER CA C 13 58.195 0.004 2 1 . . . . 0 S CA . 16483 1 8 . 1 1 2 2 SER CB C 13 64.090 0.007 3 1 . . . . 0 S CB . 16483 1 9 . 1 1 3 3 LYS H H 1 8.509 0.003 4 1 . . . . 1 K H . 16483 1 10 . 1 1 3 3 LYS HA H 1 4.267 0.005 1 1 . . . . 1 K HA . 16483 1 11 . 1 1 3 3 LYS HB2 H 1 1.728 0.005 1 2 . . . . 1 K HB2 . 16483 1 12 . 1 1 3 3 LYS HB3 H 1 1.640 0.005 1 2 . . . . 1 K HB3 . 16483 1 13 . 1 1 3 3 LYS HD2 H 1 1.503 0.005 1 2 . . . . 1 K QD . 16483 1 14 . 1 1 3 3 LYS HD3 H 1 1.503 0.005 1 2 . . . . 1 K QD . 16483 1 15 . 1 1 3 3 LYS HE2 H 1 2.778 0.005 1 2 . . . . 1 K HE2 . 16483 1 16 . 1 1 3 3 LYS HE3 H 1 2.662 0.005 1 2 . . . . 1 K HE3 . 16483 1 17 . 1 1 3 3 LYS HG2 H 1 1.321 0.005 1 2 . . . . 1 K HG2 . 16483 1 18 . 1 1 3 3 LYS HG3 H 1 1.258 0.005 1 2 . . . . 1 K HG3 . 16483 1 19 . 1 1 3 3 LYS C C 13 176.521 0.005 1 1 . . . . 1 K C . 16483 1 20 . 1 1 3 3 LYS CA C 13 56.706 0.055 5 1 . . . . 1 K CA . 16483 1 21 . 1 1 3 3 LYS CB C 13 32.780 0.028 6 1 . . . . 1 K CB . 16483 1 22 . 1 1 3 3 LYS CD C 13 29.096 0.004 2 1 . . . . 1 K CD . 16483 1 23 . 1 1 3 3 LYS CE C 13 41.744 0.045 3 1 . . . . 1 K CE . 16483 1 24 . 1 1 3 3 LYS CG C 13 24.750 0.020 3 1 . . . . 1 K CG . 16483 1 25 . 1 1 3 3 LYS N N 15 123.080 0.001 4 1 . . . . 1 K N . 16483 1 26 . 1 1 4 4 LEU H H 1 8.253 0.002 13 1 . . . . 2 L H . 16483 1 27 . 1 1 4 4 LEU HA H 1 4.281 0.005 1 1 . . . . 2 L HA . 16483 1 28 . 1 1 4 4 LEU HB2 H 1 1.542 0.005 1 2 . . . . 2 L QB . 16483 1 29 . 1 1 4 4 LEU HB3 H 1 1.542 0.005 1 2 . . . . 2 L QB . 16483 1 30 . 1 1 4 4 LEU HD11 H 1 0.791 0.005 1 2 . . . . 2 L MD1 . 16483 1 31 . 1 1 4 4 LEU HD12 H 1 0.791 0.005 1 2 . . . . 2 L MD1 . 16483 1 32 . 1 1 4 4 LEU HD13 H 1 0.791 0.005 1 2 . . . . 2 L MD1 . 16483 1 33 . 1 1 4 4 LEU HD21 H 1 0.841 0.005 1 2 . . . . 2 L MD2 . 16483 1 34 . 1 1 4 4 LEU HD22 H 1 0.841 0.005 1 2 . . . . 2 L MD2 . 16483 1 35 . 1 1 4 4 LEU HD23 H 1 0.841 0.005 1 2 . . . . 2 L MD2 . 16483 1 36 . 1 1 4 4 LEU HG H 1 1.541 0.005 1 1 . . . . 2 L HG . 16483 1 37 . 1 1 4 4 LEU C C 13 177.261 0.005 1 1 . . . . 2 L C . 16483 1 38 . 1 1 4 4 LEU CA C 13 55.267 0.026 5 1 . . . . 2 L CA . 16483 1 39 . 1 1 4 4 LEU CB C 13 42.194 0.032 4 1 . . . . 2 L CB . 16483 1 40 . 1 1 4 4 LEU CD1 C 13 23.500 0.013 2 2 . . . . 2 L CD1 . 16483 1 41 . 1 1 4 4 LEU CD2 C 13 24.922 0.003 2 2 . . . . 2 L CD2 . 16483 1 42 . 1 1 4 4 LEU CG C 13 27.025 0.005 1 1 . . . . 2 L CG . 16483 1 43 . 1 1 4 4 LEU N N 15 122.231 0.013 13 1 . . . . 2 L N . 16483 1 44 . 1 1 5 5 GLU H H 1 8.268 0.001 11 1 . . . . 3 E H . 16483 1 45 . 1 1 5 5 GLU HA H 1 4.219 0.005 1 1 . . . . 3 E HA . 16483 1 46 . 1 1 5 5 GLU HB2 H 1 1.986 0.005 1 2 . . . . 3 E HB2 . 16483 1 47 . 1 1 5 5 GLU HB3 H 1 1.893 0.005 1 2 . . . . 3 E HB3 . 16483 1 48 . 1 1 5 5 GLU HG2 H 1 2.191 0.005 1 2 . . . . 3 E QG . 16483 1 49 . 1 1 5 5 GLU HG3 H 1 2.191 0.005 1 2 . . . . 3 E QG . 16483 1 50 . 1 1 5 5 GLU C C 13 176.795 0.005 1 1 . . . . 3 E C . 16483 1 51 . 1 1 5 5 GLU CA C 13 56.670 0.020 5 1 . . . . 3 E CA . 16483 1 52 . 1 1 5 5 GLU CB C 13 30.457 0.009 6 1 . . . . 3 E CB . 16483 1 53 . 1 1 5 5 GLU CG C 13 36.297 0.004 2 1 . . . . 3 E CG . 16483 1 54 . 1 1 5 5 GLU N N 15 121.048 0.012 11 1 . . . . 3 E N . 16483 1 55 . 1 1 6 6 GLY H H 1 8.351 0.003 10 1 . . . . 4 G H . 16483 1 56 . 1 1 6 6 GLY HA2 H 1 3.858 0.005 1 2 . . . . 4 G QA . 16483 1 57 . 1 1 6 6 GLY HA3 H 1 3.858 0.005 1 2 . . . . 4 G QA . 16483 1 58 . 1 1 6 6 GLY C C 13 173.960 0.005 1 1 . . . . 4 G C . 16483 1 59 . 1 1 6 6 GLY CA C 13 45.345 0.005 5 1 . . . . 4 G CA . 16483 1 60 . 1 1 6 6 GLY N N 15 109.241 0.008 10 1 . . . . 4 G N . 16483 1 61 . 1 1 7 7 LYS H H 1 8.125 0.004 7 1 . . . . 5 K H . 16483 1 62 . 1 1 7 7 LYS HA H 1 4.328 0.005 1 1 . . . . 5 K HA . 16483 1 63 . 1 1 7 7 LYS HB2 H 1 1.771 0.005 1 2 . . . . 5 K HB2 . 16483 1 64 . 1 1 7 7 LYS HB3 H 1 1.658 0.005 1 2 . . . . 5 K HB3 . 16483 1 65 . 1 1 7 7 LYS HD2 H 1 1.599 0.005 1 2 . . . . 5 K QD . 16483 1 66 . 1 1 7 7 LYS HD3 H 1 1.599 0.005 1 2 . . . . 5 K QD . 16483 1 67 . 1 1 7 7 LYS HE2 H 1 2.900 0.005 1 2 . . . . 5 K HE2 . 16483 1 68 . 1 1 7 7 LYS HE3 H 1 2.850 0.005 1 2 . . . . 5 K HE3 . 16483 1 69 . 1 1 7 7 LYS HG2 H 1 1.330 0.005 1 2 . . . . 5 K HG2 . 16483 1 70 . 1 1 7 7 LYS HG3 H 1 1.253 0.005 1 2 . . . . 5 K HG3 . 16483 1 71 . 1 1 7 7 LYS C C 13 176.699 0.005 1 1 . . . . 5 K C . 16483 1 72 . 1 1 7 7 LYS CA C 13 56.161 0.020 5 1 . . . . 5 K CA . 16483 1 73 . 1 1 7 7 LYS CB C 13 33.028 0.015 6 1 . . . . 5 K CB . 16483 1 74 . 1 1 7 7 LYS CD C 13 29.152 0.034 2 1 . . . . 5 K CD . 16483 1 75 . 1 1 7 7 LYS CE C 13 42.115 0.008 2 1 . . . . 5 K CE . 16483 1 76 . 1 1 7 7 LYS CG C 13 24.757 0.012 3 1 . . . . 5 K CG . 16483 1 77 . 1 1 7 7 LYS N N 15 120.310 0.031 7 1 . . . . 5 K N . 16483 1 78 . 1 1 8 8 THR H H 1 8.106 0.005 12 1 . . . . 6 T H . 16483 1 79 . 1 1 8 8 THR HA H 1 4.310 0.005 1 1 . . . . 6 T HA . 16483 1 80 . 1 1 8 8 THR HB H 1 4.147 0.002 3 1 . . . . 6 T HB . 16483 1 81 . 1 1 8 8 THR HG21 H 1 1.130 0.005 1 1 . . . . 6 T MG . 16483 1 82 . 1 1 8 8 THR HG22 H 1 1.130 0.005 1 1 . . . . 6 T MG . 16483 1 83 . 1 1 8 8 THR HG23 H 1 1.130 0.005 1 1 . . . . 6 T MG . 16483 1 84 . 1 1 8 8 THR CA C 13 61.778 0.004 2 1 . . . . 6 T CA . 16483 1 85 . 1 1 8 8 THR CB C 13 70.000 0.007 4 1 . . . . 6 T CB . 16483 1 86 . 1 1 8 8 THR CG2 C 13 21.572 0.005 1 1 . . . . 6 T CG2 . 16483 1 87 . 1 1 8 8 THR N N 15 114.840 0.038 12 1 . . . . 6 T N . 16483 1 88 . 1 1 9 9 CYS HA H 1 4.630 0.005 1 1 . . . . 7 C HA . 16483 1 89 . 1 1 9 9 CYS HB2 H 1 3.089 0.005 1 2 . . . . 7 C HB2 . 16483 1 90 . 1 1 9 9 CYS HB3 H 1 2.681 0.005 1 2 . . . . 7 C HB3 . 16483 1 91 . 1 1 9 9 CYS CA C 13 54.739 0.005 1 1 . . . . 7 C CA . 16483 1 92 . 1 1 9 9 CYS CB C 13 39.876 0.002 2 1 . . . . 7 C CB . 16483 1 93 . 1 1 10 10 GLY HA2 H 1 4.045 0.005 1 2 . . . . 8 G QA . 16483 1 94 . 1 1 10 10 GLY HA3 H 1 4.045 0.005 1 2 . . . . 8 G QA . 16483 1 95 . 1 1 10 10 GLY CA C 13 44.723 0.005 1 1 . . . . 8 G CA . 16483 1 96 . 1 1 11 11 PRO HA H 1 4.351 0.005 2 1 . . . . 9 P HA . 16483 1 97 . 1 1 11 11 PRO HB2 H 1 2.281 0.005 2 2 . . . . 9 P HB2 . 16483 1 98 . 1 1 11 11 PRO HB3 H 1 1.912 0.003 2 2 . . . . 9 P HB3 . 16483 1 99 . 1 1 11 11 PRO HD2 H 1 3.569 0.005 2 2 . . . . 9 P QD . 16483 1 100 . 1 1 11 11 PRO HD3 H 1 3.569 0.005 2 2 . . . . 9 P QD . 16483 1 101 . 1 1 11 11 PRO HG2 H 1 1.982 0.005 3 2 . . . . 9 P QG . 16483 1 102 . 1 1 11 11 PRO HG3 H 1 1.982 0.005 3 2 . . . . 9 P QG . 16483 1 103 . 1 1 11 11 PRO CA C 13 64.073 0.053 4 1 . . . . 9 P CA . 16483 1 104 . 1 1 11 11 PRO CB C 13 32.088 0.007 5 1 . . . . 9 P CB . 16483 1 105 . 1 1 11 11 PRO CD C 13 49.716 0.008 2 1 . . . . 9 P CD . 16483 1 106 . 1 1 11 11 PRO CG C 13 27.297 0.007 3 1 . . . . 9 P CG . 16483 1 107 . 1 1 12 12 SER H H 1 8.608 0.014 4 1 . . . . 10 S H . 16483 1 108 . 1 1 12 12 SER HA H 1 4.371 0.005 1 1 . . . . 10 S HA . 16483 1 109 . 1 1 12 12 SER HB2 H 1 3.935 0.005 1 2 . . . . 10 S QB . 16483 1 110 . 1 1 12 12 SER HB3 H 1 3.935 0.005 1 2 . . . . 10 S QB . 16483 1 111 . 1 1 12 12 SER C C 13 173.892 0.005 1 1 . . . . 10 S C . 16483 1 112 . 1 1 12 12 SER CA C 13 58.226 0.033 3 1 . . . . 10 S CA . 16483 1 113 . 1 1 12 12 SER CB C 13 62.640 0.032 4 1 . . . . 10 S CB . 16483 1 114 . 1 1 12 12 SER N N 15 113.202 0.030 4 1 . . . . 10 S N . 16483 1 115 . 1 1 13 13 SER H H 1 7.661 0.002 9 1 . . . . 11 S H . 16483 1 116 . 1 1 13 13 SER HA H 1 4.842 0.005 1 1 . . . . 11 S HA . 16483 1 117 . 1 1 13 13 SER HB2 H 1 3.491 0.001 3 2 . . . . 11 S QB . 16483 1 118 . 1 1 13 13 SER HB3 H 1 3.491 0.001 3 2 . . . . 11 S QB . 16483 1 119 . 1 1 13 13 SER C C 13 171.591 0.005 1 1 . . . . 11 S C . 16483 1 120 . 1 1 13 13 SER CA C 13 57.786 0.019 4 1 . . . . 11 S CA . 16483 1 121 . 1 1 13 13 SER CB C 13 65.917 0.008 7 1 . . . . 11 S CB . 16483 1 122 . 1 1 13 13 SER N N 15 114.870 0.004 9 1 . . . . 11 S N . 16483 1 123 . 1 1 14 14 PHE H H 1 9.404 0.006 10 1 . . . . 12 F H . 16483 1 124 . 1 1 14 14 PHE HB2 H 1 2.900 0.005 1 2 . . . . 12 F HB2 . 16483 1 125 . 1 1 14 14 PHE HB3 H 1 2.829 0.005 1 2 . . . . 12 F HB3 . 16483 1 126 . 1 1 14 14 PHE HD1 H 1 7.044 0.011 3 3 . . . . 12 F QD . 16483 1 127 . 1 1 14 14 PHE HD2 H 1 7.044 0.011 3 3 . . . . 12 F QD . 16483 1 128 . 1 1 14 14 PHE HE1 H 1 7.196 0.005 2 3 . . . . 12 F QE . 16483 1 129 . 1 1 14 14 PHE HE2 H 1 7.196 0.005 2 3 . . . . 12 F QE . 16483 1 130 . 1 1 14 14 PHE HZ H 1 6.928 0.001 2 1 . . . . 12 F HZ . 16483 1 131 . 1 1 14 14 PHE C C 13 173.768 0.005 1 1 . . . . 12 F C . 16483 1 132 . 1 1 14 14 PHE CA C 13 56.514 0.010 3 1 . . . . 12 F CA . 16483 1 133 . 1 1 14 14 PHE CB C 13 43.249 0.040 6 1 . . . . 12 F CB . 16483 1 134 . 1 1 14 14 PHE CD1 C 13 132.363 0.025 2 3 . . . . 12 F CD1 . 16483 1 135 . 1 1 14 14 PHE CE1 C 13 130.830 0.010 2 3 . . . . 12 F CE1 . 16483 1 136 . 1 1 14 14 PHE CZ C 13 129.262 0.020 2 1 . . . . 12 F CZ . 16483 1 137 . 1 1 14 14 PHE N N 15 124.561 0.032 9 1 . . . . 12 F N . 16483 1 138 . 1 1 15 15 SER H H 1 7.907 0.002 13 1 . . . . 13 S H . 16483 1 139 . 1 1 15 15 SER HB2 H 1 3.471 0.005 1 2 . . . . 13 S HB2 . 16483 1 140 . 1 1 15 15 SER HB3 H 1 3.423 0.005 1 2 . . . . 13 S HB3 . 16483 1 141 . 1 1 15 15 SER C C 13 173.714 0.005 1 1 . . . . 13 S C . 16483 1 142 . 1 1 15 15 SER CA C 13 56.534 0.027 3 1 . . . . 13 S CA . 16483 1 143 . 1 1 15 15 SER CB C 13 63.511 0.018 6 1 . . . . 13 S CB . 16483 1 144 . 1 1 15 15 SER N N 15 121.256 0.016 13 1 . . . . 13 S N . 16483 1 145 . 1 1 16 16 CYS H H 1 8.314 0.006 15 1 . . . . 14 C H . 16483 1 146 . 1 1 16 16 CYS HA H 1 4.671 0.005 1 1 . . . . 14 C HA . 16483 1 147 . 1 1 16 16 CYS HB2 H 1 3.584 0.002 2 2 . . . . 14 C HB2 . 16483 1 148 . 1 1 16 16 CYS HB3 H 1 2.841 0.003 2 2 . . . . 14 C HB3 . 16483 1 149 . 1 1 16 16 CYS CA C 13 52.779 0.023 2 1 . . . . 14 C CA . 16483 1 150 . 1 1 16 16 CYS CB C 13 36.105 0.015 5 1 . . . . 14 C CB . 16483 1 151 . 1 1 16 16 CYS N N 15 126.048 0.033 13 1 . . . . 14 C N . 16483 1 152 . 1 1 17 17 PRO HA H 1 4.155 0.008 2 1 . . . . 15 P HA . 16483 1 153 . 1 1 17 17 PRO HB2 H 1 2.214 0.004 2 2 . . . . 15 P HB2 . 16483 1 154 . 1 1 17 17 PRO HB3 H 1 1.919 0.008 2 2 . . . . 15 P HB3 . 16483 1 155 . 1 1 17 17 PRO HD2 H 1 4.156 0.005 1 2 . . . . 15 P HD2 . 16483 1 156 . 1 1 17 17 PRO HD3 H 1 3.810 0.001 2 2 . . . . 15 P HD3 . 16483 1 157 . 1 1 17 17 PRO HG2 H 1 2.142 0.001 3 2 . . . . 15 P HG2 . 16483 1 158 . 1 1 17 17 PRO HG3 H 1 1.893 0.007 3 2 . . . . 15 P HG3 . 16483 1 159 . 1 1 17 17 PRO CA C 13 64.025 0.005 1 1 . . . . 15 P CA . 16483 1 160 . 1 1 17 17 PRO CB C 13 32.106 0.005 4 1 . . . . 15 P CB . 16483 1 161 . 1 1 17 17 PRO CD C 13 51.331 0.020 4 1 . . . . 15 P CD . 16483 1 162 . 1 1 17 17 PRO CG C 13 27.522 0.013 6 1 . . . . 15 P CG . 16483 1 163 . 1 1 18 18 GLY HA2 H 1 4.098 0.005 1 2 . . . . 16 G HA2 . 16483 1 164 . 1 1 18 18 GLY HA3 H 1 3.622 0.005 1 2 . . . . 16 G HA3 . 16483 1 165 . 1 1 18 18 GLY C C 13 174.056 0.005 1 1 . . . . 16 G C . 16483 1 166 . 1 1 18 18 GLY CA C 13 45.719 0.021 5 1 . . . . 16 G CA . 16483 1 167 . 1 1 19 19 THR H H 1 7.669 0.001 7 1 . . . . 17 T H . 16483 1 168 . 1 1 19 19 THR HB H 1 4.281 0.002 3 1 . . . . 17 T HB . 16483 1 169 . 1 1 19 19 THR HG21 H 1 1.093 0.005 1 1 . . . . 17 T MG . 16483 1 170 . 1 1 19 19 THR HG22 H 1 1.093 0.005 1 1 . . . . 17 T MG . 16483 1 171 . 1 1 19 19 THR HG23 H 1 1.093 0.005 1 1 . . . . 17 T MG . 16483 1 172 . 1 1 19 19 THR CA C 13 60.465 0.005 1 1 . . . . 17 T CA . 16483 1 173 . 1 1 19 19 THR CB C 13 72.332 0.020 4 1 . . . . 17 T CB . 16483 1 174 . 1 1 19 19 THR CG2 C 13 21.220 0.005 1 1 . . . . 17 T CG2 . 16483 1 175 . 1 1 19 19 THR N N 15 108.937 0.007 7 1 . . . . 17 T N . 16483 1 176 . 1 1 20 20 HIS HB2 H 1 3.251 0.002 3 2 . . . . 18 H HB2 . 16483 1 177 . 1 1 20 20 HIS HB3 H 1 3.044 0.002 3 2 . . . . 18 H HB3 . 16483 1 178 . 1 1 20 20 HIS HD2 H 1 6.877 0.001 2 1 . . . . 18 H HD2 . 16483 1 179 . 1 1 20 20 HIS HE1 H 1 7.744 0.005 2 1 . . . . 18 H HE1 . 16483 1 180 . 1 1 20 20 HIS C C 13 174.741 0.005 1 1 . . . . 18 H C . 16483 1 181 . 1 1 20 20 HIS CA C 13 55.946 0.005 1 1 . . . . 18 H CA . 16483 1 182 . 1 1 20 20 HIS CB C 13 29.389 0.069 7 1 . . . . 18 H CB . 16483 1 183 . 1 1 20 20 HIS CD2 C 13 119.776 0.012 2 1 . . . . 18 H CD2 . 16483 1 184 . 1 1 20 20 HIS CE1 C 13 138.302 0.007 2 1 . . . . 18 H CE1 . 16483 1 185 . 1 1 21 21 VAL H H 1 7.848 0.004 5 1 . . . . 19 V H . 16483 1 186 . 1 1 21 21 VAL HA H 1 3.994 0.005 1 1 . . . . 19 V HA . 16483 1 187 . 1 1 21 21 VAL HB H 1 1.887 0.005 2 1 . . . . 19 V HB . 16483 1 188 . 1 1 21 21 VAL HG11 H 1 0.928 0.005 1 2 . . . . 19 V MG1 . 16483 1 189 . 1 1 21 21 VAL HG12 H 1 0.928 0.005 1 2 . . . . 19 V MG1 . 16483 1 190 . 1 1 21 21 VAL HG13 H 1 0.928 0.005 1 2 . . . . 19 V MG1 . 16483 1 191 . 1 1 21 21 VAL HG21 H 1 0.932 0.005 1 2 . . . . 19 V MG2 . 16483 1 192 . 1 1 21 21 VAL HG22 H 1 0.932 0.005 1 2 . . . . 19 V MG2 . 16483 1 193 . 1 1 21 21 VAL HG23 H 1 0.932 0.005 1 2 . . . . 19 V MG2 . 16483 1 194 . 1 1 21 21 VAL C C 13 175.672 0.005 1 1 . . . . 19 V C . 16483 1 195 . 1 1 21 21 VAL CA C 13 63.098 0.049 2 1 . . . . 19 V CA . 16483 1 196 . 1 1 21 21 VAL CB C 13 33.492 0.076 3 1 . . . . 19 V CB . 16483 1 197 . 1 1 21 21 VAL CG1 C 13 21.599 0.005 1 2 . . . . 19 V CG1 . 16483 1 198 . 1 1 21 21 VAL CG2 C 13 21.632 0.005 1 2 . . . . 19 V CG2 . 16483 1 199 . 1 1 21 21 VAL N N 15 120.054 0.009 5 1 . . . . 19 V N . 16483 1 200 . 1 1 22 22 CYS H H 1 8.592 0.006 14 1 . . . . 20 C H . 16483 1 201 . 1 1 22 22 CYS HA H 1 5.376 0.004 4 1 . . . . 20 C HA . 16483 1 202 . 1 1 22 22 CYS HB2 H 1 2.900 0.005 1 2 . . . . 20 C HB2 . 16483 1 203 . 1 1 22 22 CYS HB3 H 1 2.759 0.005 1 2 . . . . 20 C HB3 . 16483 1 204 . 1 1 22 22 CYS C C 13 174.262 0.005 1 1 . . . . 20 C C . 16483 1 205 . 1 1 22 22 CYS CA C 13 53.793 0.061 6 1 . . . . 20 C CA . 16483 1 206 . 1 1 22 22 CYS CB C 13 43.057 0.116 5 1 . . . . 20 C CB . 16483 1 207 . 1 1 22 22 CYS N N 15 125.646 0.023 13 1 . . . . 20 C N . 16483 1 208 . 1 1 23 23 VAL H H 1 9.396 0.006 9 1 . . . . 21 V H . 16483 1 209 . 1 1 23 23 VAL HB H 1 2.188 0.001 2 1 . . . . 21 V HB . 16483 1 210 . 1 1 23 23 VAL HG11 H 1 1.030 0.010 3 2 . . . . 21 V MG1 . 16483 1 211 . 1 1 23 23 VAL HG12 H 1 1.030 0.010 3 2 . . . . 21 V MG1 . 16483 1 212 . 1 1 23 23 VAL HG13 H 1 1.030 0.010 3 2 . . . . 21 V MG1 . 16483 1 213 . 1 1 23 23 VAL HG21 H 1 1.084 0.005 1 2 . . . . 21 V MG2 . 16483 1 214 . 1 1 23 23 VAL HG22 H 1 1.084 0.005 1 2 . . . . 21 V MG2 . 16483 1 215 . 1 1 23 23 VAL HG23 H 1 1.084 0.005 1 2 . . . . 21 V MG2 . 16483 1 216 . 1 1 23 23 VAL CA C 13 57.933 0.005 1 1 . . . . 21 V CA . 16483 1 217 . 1 1 23 23 VAL CB C 13 34.081 0.018 3 1 . . . . 21 V CB . 16483 1 218 . 1 1 23 23 VAL CG1 C 13 20.558 0.005 1 2 . . . . 21 V CG1 . 16483 1 219 . 1 1 23 23 VAL CG2 C 13 22.400 0.005 1 2 . . . . 21 V CG2 . 16483 1 220 . 1 1 23 23 VAL N N 15 119.984 0.069 8 1 . . . . 21 V N . 16483 1 221 . 1 1 24 24 PRO HA H 1 4.258 0.001 2 1 . . . . 22 P HA . 16483 1 222 . 1 1 24 24 PRO HB2 H 1 1.988 0.003 2 2 . . . . 22 P HB2 . 16483 1 223 . 1 1 24 24 PRO HB3 H 1 1.161 0.005 3 2 . . . . 22 P HB3 . 16483 1 224 . 1 1 24 24 PRO HD2 H 1 3.045 0.003 2 2 . . . . 22 P HD2 . 16483 1 225 . 1 1 24 24 PRO HD3 H 1 2.457 0.004 2 2 . . . . 22 P HD3 . 16483 1 226 . 1 1 24 24 PRO HG2 H 1 1.091 0.002 2 2 . . . . 22 P HG2 . 16483 1 227 . 1 1 24 24 PRO HG3 H 1 0.579 0.005 2 2 . . . . 22 P HG3 . 16483 1 228 . 1 1 24 24 PRO C C 13 177.097 0.005 1 1 . . . . 22 P C . 16483 1 229 . 1 1 24 24 PRO CA C 13 62.577 0.037 5 1 . . . . 22 P CA . 16483 1 230 . 1 1 24 24 PRO CB C 13 32.233 0.040 8 1 . . . . 22 P CB . 16483 1 231 . 1 1 24 24 PRO CD C 13 50.115 0.006 4 1 . . . . 22 P CD . 16483 1 232 . 1 1 24 24 PRO CG C 13 26.619 0.031 4 1 . . . . 22 P CG . 16483 1 233 . 1 1 25 25 GLU H H 1 8.189 0.002 11 1 . . . . 23 E H . 16483 1 234 . 1 1 25 25 GLU HA H 1 3.828 0.022 3 1 . . . . 23 E HA . 16483 1 235 . 1 1 25 25 GLU HB2 H 1 1.969 0.005 1 2 . . . . 23 E HB2 . 16483 1 236 . 1 1 25 25 GLU HB3 H 1 1.874 0.005 1 2 . . . . 23 E HB3 . 16483 1 237 . 1 1 25 25 GLU HG2 H 1 2.148 0.005 1 2 . . . . 23 E QG . 16483 1 238 . 1 1 25 25 GLU HG3 H 1 2.148 0.005 1 2 . . . . 23 E QG . 16483 1 239 . 1 1 25 25 GLU C C 13 178.754 0.005 1 1 . . . . 23 E C . 16483 1 240 . 1 1 25 25 GLU CA C 13 59.389 0.027 5 1 . . . . 23 E CA . 16483 1 241 . 1 1 25 25 GLU CB C 13 29.193 0.015 5 1 . . . . 23 E CB . 16483 1 242 . 1 1 25 25 GLU CG C 13 36.341 0.031 2 1 . . . . 23 E CG . 16483 1 243 . 1 1 25 25 GLU N N 15 121.542 0.042 10 1 . . . . 23 E N . 16483 1 244 . 1 1 26 26 ARG H H 1 8.111 0.001 7 1 . . . . 24 R H . 16483 1 245 . 1 1 26 26 ARG HA H 1 4.238 0.011 3 1 . . . . 24 R HA . 16483 1 246 . 1 1 26 26 ARG HB2 H 1 1.849 0.005 1 2 . . . . 24 R HB2 . 16483 1 247 . 1 1 26 26 ARG HB3 H 1 1.747 0.005 1 2 . . . . 24 R HB3 . 16483 1 248 . 1 1 26 26 ARG HD2 H 1 3.137 0.001 2 2 . . . . 24 R QD . 16483 1 249 . 1 1 26 26 ARG HD3 H 1 3.137 0.001 2 2 . . . . 24 R QD . 16483 1 250 . 1 1 26 26 ARG HG2 H 1 1.486 0.001 2 2 . . . . 24 R QG . 16483 1 251 . 1 1 26 26 ARG HG3 H 1 1.486 0.001 2 2 . . . . 24 R QG . 16483 1 252 . 1 1 26 26 ARG C C 13 176.480 0.005 1 1 . . . . 24 R C . 16483 1 253 . 1 1 26 26 ARG CA C 13 57.627 0.037 4 1 . . . . 24 R CA . 16483 1 254 . 1 1 26 26 ARG CB C 13 29.522 0.028 5 1 . . . . 24 R CB . 16483 1 255 . 1 1 26 26 ARG CD C 13 43.364 0.105 2 1 . . . . 24 R CD . 16483 1 256 . 1 1 26 26 ARG CG C 13 27.170 0.054 2 1 . . . . 24 R CG . 16483 1 257 . 1 1 26 26 ARG N N 15 115.518 0.019 7 1 . . . . 24 R N . 16483 1 258 . 1 1 27 27 TRP H H 1 8.047 0.003 13 1 . . . . 25 W H . 16483 1 259 . 1 1 27 27 TRP HA H 1 5.256 0.012 5 1 . . . . 25 W HA . 16483 1 260 . 1 1 27 27 TRP HB2 H 1 3.815 0.005 3 2 . . . . 25 W HB2 . 16483 1 261 . 1 1 27 27 TRP HB3 H 1 2.950 0.003 3 2 . . . . 25 W HB3 . 16483 1 262 . 1 1 27 27 TRP HD1 H 1 6.749 0.010 3 1 . . . . 25 W HD1 . 16483 1 263 . 1 1 27 27 TRP HE1 H 1 10.021 0.003 13 1 . . . . 25 W HE1 . 16483 1 264 . 1 1 27 27 TRP HE3 H 1 7.277 0.001 2 1 . . . . 25 W HE3 . 16483 1 265 . 1 1 27 27 TRP HH2 H 1 7.185 0.027 3 1 . . . . 25 W HH2 . 16483 1 266 . 1 1 27 27 TRP HZ2 H 1 7.376 0.013 3 1 . . . . 25 W HZ2 . 16483 1 267 . 1 1 27 27 TRP HZ3 H 1 7.107 0.001 2 1 . . . . 25 W HZ3 . 16483 1 268 . 1 1 27 27 TRP C C 13 177.371 0.005 1 1 . . . . 25 W C . 16483 1 269 . 1 1 27 27 TRP CA C 13 54.269 0.081 7 1 . . . . 25 W CA . 16483 1 270 . 1 1 27 27 TRP CB C 13 28.071 0.031 10 1 . . . . 25 W CB . 16483 1 271 . 1 1 27 27 TRP CD1 C 13 123.233 0.032 2 1 . . . . 25 W CD1 . 16483 1 272 . 1 1 27 27 TRP CE3 C 13 121.181 0.024 2 1 . . . . 25 W CE3 . 16483 1 273 . 1 1 27 27 TRP CH2 C 13 124.996 0.002 2 1 . . . . 25 W CH2 . 16483 1 274 . 1 1 27 27 TRP CZ2 C 13 114.501 0.007 2 1 . . . . 25 W CZ2 . 16483 1 275 . 1 1 27 27 TRP CZ3 C 13 121.240 0.023 2 1 . . . . 25 W CZ3 . 16483 1 276 . 1 1 27 27 TRP N N 15 117.519 0.027 12 1 . . . . 25 W N . 16483 1 277 . 1 1 27 27 TRP NE1 N 15 126.218 0.017 12 1 . . . . 25 W NE1 . 16483 1 278 . 1 1 28 28 LEU H H 1 7.980 0.004 22 1 . . . . 26 L H . 16483 1 279 . 1 1 28 28 LEU HA H 1 4.493 0.012 2 1 . . . . 26 L HA . 16483 1 280 . 1 1 28 28 LEU HB2 H 1 1.841 0.012 3 2 . . . . 26 L HB2 . 16483 1 281 . 1 1 28 28 LEU HB3 H 1 1.487 0.012 3 2 . . . . 26 L HB3 . 16483 1 282 . 1 1 28 28 LEU HD11 H 1 0.297 0.005 2 2 . . . . 26 L MD1 . 16483 1 283 . 1 1 28 28 LEU HD12 H 1 0.297 0.005 2 2 . . . . 26 L MD1 . 16483 1 284 . 1 1 28 28 LEU HD13 H 1 0.297 0.005 2 2 . . . . 26 L MD1 . 16483 1 285 . 1 1 28 28 LEU HD21 H 1 0.758 0.005 1 2 . . . . 26 L MD2 . 16483 1 286 . 1 1 28 28 LEU HD22 H 1 0.758 0.005 1 2 . . . . 26 L MD2 . 16483 1 287 . 1 1 28 28 LEU HD23 H 1 0.758 0.005 1 2 . . . . 26 L MD2 . 16483 1 288 . 1 1 28 28 LEU HG H 1 1.753 0.001 2 1 . . . . 26 L HG . 16483 1 289 . 1 1 28 28 LEU C C 13 176.179 0.005 1 1 . . . . 26 L C . 16483 1 290 . 1 1 28 28 LEU CA C 13 55.284 0.037 5 1 . . . . 26 L CA . 16483 1 291 . 1 1 28 28 LEU CB C 13 40.261 0.023 8 1 . . . . 26 L CB . 16483 1 292 . 1 1 28 28 LEU CD1 C 13 22.063 0.004 3 2 . . . . 26 L CD1 . 16483 1 293 . 1 1 28 28 LEU CD2 C 13 24.636 0.005 2 2 . . . . 26 L CD2 . 16483 1 294 . 1 1 28 28 LEU CG C 13 26.745 0.034 3 1 . . . . 26 L CG . 16483 1 295 . 1 1 28 28 LEU N N 15 126.157 0.060 21 1 . . . . 26 L N . 16483 1 296 . 1 1 29 29 CYS H H 1 8.749 0.003 14 1 . . . . 27 C H . 16483 1 297 . 1 1 29 29 CYS HA H 1 4.476 0.005 1 1 . . . . 27 C HA . 16483 1 298 . 1 1 29 29 CYS HB2 H 1 3.227 0.003 2 2 . . . . 27 C HB2 . 16483 1 299 . 1 1 29 29 CYS HB3 H 1 2.998 0.001 2 2 . . . . 27 C HB3 . 16483 1 300 . 1 1 29 29 CYS C C 13 175.659 0.005 1 1 . . . . 27 C C . 16483 1 301 . 1 1 29 29 CYS CA C 13 54.542 0.038 5 1 . . . . 27 C CA . 16483 1 302 . 1 1 29 29 CYS CB C 13 34.318 0.013 7 1 . . . . 27 C CB . 16483 1 303 . 1 1 29 29 CYS N N 15 120.264 0.016 13 1 . . . . 27 C N . 16483 1 304 . 1 1 30 30 ASP H H 1 9.631 0.007 9 1 . . . . 28 D H . 16483 1 305 . 1 1 30 30 ASP HB2 H 1 2.355 0.005 1 2 . . . . 28 D HB2 . 16483 1 306 . 1 1 30 30 ASP HB3 H 1 3.085 0.005 1 2 . . . . 28 D HB3 . 16483 1 307 . 1 1 30 30 ASP CA C 13 52.503 0.012 4 1 . . . . 28 D CA . 16483 1 308 . 1 1 30 30 ASP CB C 13 41.912 0.028 6 1 . . . . 28 D CB . 16483 1 309 . 1 1 30 30 ASP N N 15 120.938 0.021 9 1 . . . . 28 D N . 16483 1 310 . 1 1 31 31 GLY H H 1 9.588 0.009 8 1 . . . . 29 G H . 16483 1 311 . 1 1 31 31 GLY HA2 H 1 4.163 0.005 1 2 . . . . 29 G HA2 . 16483 1 312 . 1 1 31 31 GLY HA3 H 1 3.406 0.005 1 2 . . . . 29 G HA3 . 16483 1 313 . 1 1 31 31 GLY C C 13 173.193 0.005 1 1 . . . . 29 G C . 16483 1 314 . 1 1 31 31 GLY CA C 13 45.427 0.026 6 1 . . . . 29 G CA . 16483 1 315 . 1 1 31 31 GLY N N 15 111.573 0.031 8 1 . . . . 29 G N . 16483 1 316 . 1 1 32 32 ASP H H 1 7.548 0.001 7 1 . . . . 30 D H . 16483 1 317 . 1 1 32 32 ASP HB2 H 1 2.340 0.005 1 2 . . . . 30 D HB2 . 16483 1 318 . 1 1 32 32 ASP HB3 H 1 2.274 0.005 1 2 . . . . 30 D HB3 . 16483 1 319 . 1 1 32 32 ASP CA C 13 52.143 0.005 1 1 . . . . 30 D CA . 16483 1 320 . 1 1 32 32 ASP CB C 13 42.308 0.022 3 1 . . . . 30 D CB . 16483 1 321 . 1 1 32 32 ASP N N 15 118.560 0.018 7 1 . . . . 30 D N . 16483 1 322 . 1 1 33 33 LYS HA H 1 4.286 0.005 1 1 . . . . 31 K HA . 16483 1 323 . 1 1 33 33 LYS HB2 H 1 1.829 0.005 1 2 . . . . 31 K HB2 . 16483 1 324 . 1 1 33 33 LYS HB3 H 1 1.751 0.008 2 2 . . . . 31 K HB3 . 16483 1 325 . 1 1 33 33 LYS HD2 H 1 1.596 0.005 1 2 . . . . 31 K QD . 16483 1 326 . 1 1 33 33 LYS HD3 H 1 1.596 0.005 1 2 . . . . 31 K QD . 16483 1 327 . 1 1 33 33 LYS HE2 H 1 2.889 0.005 1 2 . . . . 31 K QE . 16483 1 328 . 1 1 33 33 LYS HE3 H 1 2.889 0.005 1 2 . . . . 31 K QE . 16483 1 329 . 1 1 33 33 LYS HG2 H 1 1.562 0.003 2 2 . . . . 31 K HG2 . 16483 1 330 . 1 1 33 33 LYS HG3 H 1 1.103 0.002 2 2 . . . . 31 K HG3 . 16483 1 331 . 1 1 33 33 LYS C C 13 173.974 0.005 1 1 . . . . 31 K C . 16483 1 332 . 1 1 33 33 LYS CA C 13 57.237 0.010 3 1 . . . . 31 K CA . 16483 1 333 . 1 1 33 33 LYS CB C 13 30.608 0.032 5 1 . . . . 31 K CB . 16483 1 334 . 1 1 33 33 LYS CD C 13 29.660 0.035 2 1 . . . . 31 K CD . 16483 1 335 . 1 1 33 33 LYS CE C 13 41.877 0.010 2 1 . . . . 31 K CE . 16483 1 336 . 1 1 33 33 LYS CG C 13 25.628 0.017 5 1 . . . . 31 K CG . 16483 1 337 . 1 1 34 34 ASP H H 1 10.107 0.006 22 1 . . . . 32 D H . 16483 1 338 . 1 1 34 34 ASP HA H 1 4.549 0.005 1 1 . . . . 32 D HA . 16483 1 339 . 1 1 34 34 ASP HB2 H 1 2.812 0.008 2 2 . . . . 32 D HB2 . 16483 1 340 . 1 1 34 34 ASP HB3 H 1 2.651 0.005 1 2 . . . . 32 D HB3 . 16483 1 341 . 1 1 34 34 ASP C C 13 177.795 0.005 1 1 . . . . 32 D C . 16483 1 342 . 1 1 34 34 ASP CA C 13 56.921 0.013 4 1 . . . . 32 D CA . 16483 1 343 . 1 1 34 34 ASP CB C 13 43.476 0.028 6 1 . . . . 32 D CB . 16483 1 344 . 1 1 34 34 ASP N N 15 128.833 0.025 21 1 . . . . 32 D N . 16483 1 345 . 1 1 35 35 CYS H H 1 8.431 0.002 12 1 . . . . 33 C H . 16483 1 346 . 1 1 35 35 CYS HA H 1 4.985 0.005 2 1 . . . . 33 C HA . 16483 1 347 . 1 1 35 35 CYS HB2 H 1 3.657 0.001 2 2 . . . . 33 C HB2 . 16483 1 348 . 1 1 35 35 CYS HB3 H 1 2.922 0.001 2 2 . . . . 33 C HB3 . 16483 1 349 . 1 1 35 35 CYS CA C 13 52.370 0.021 3 1 . . . . 33 C CA . 16483 1 350 . 1 1 35 35 CYS CB C 13 37.935 0.022 5 1 . . . . 33 C CB . 16483 1 351 . 1 1 35 35 CYS N N 15 117.478 0.007 11 1 . . . . 33 C N . 16483 1 352 . 1 1 36 36 ALA HA H 1 4.061 0.005 1 1 . . . . 34 A HA . 16483 1 353 . 1 1 36 36 ALA HB1 H 1 1.440 0.003 2 1 . . . . 34 A MB . 16483 1 354 . 1 1 36 36 ALA HB2 H 1 1.440 0.003 2 1 . . . . 34 A MB . 16483 1 355 . 1 1 36 36 ALA HB3 H 1 1.440 0.003 2 1 . . . . 34 A MB . 16483 1 356 . 1 1 36 36 ALA C C 13 178.274 0.005 1 1 . . . . 34 A C . 16483 1 357 . 1 1 36 36 ALA CA C 13 55.724 0.016 4 1 . . . . 34 A CA . 16483 1 358 . 1 1 36 36 ALA CB C 13 18.183 0.043 5 1 . . . . 34 A CB . 16483 1 359 . 1 1 37 37 ASP H H 1 8.115 0.001 11 1 . . . . 35 D H . 16483 1 360 . 1 1 37 37 ASP HA H 1 4.555 0.005 1 1 . . . . 35 D HA . 16483 1 361 . 1 1 37 37 ASP HB2 H 1 2.545 0.005 1 2 . . . . 35 D HB2 . 16483 1 362 . 1 1 37 37 ASP HB3 H 1 3.035 0.005 1 2 . . . . 35 D HB3 . 16483 1 363 . 1 1 37 37 ASP C C 13 178.576 0.005 1 1 . . . . 35 D C . 16483 1 364 . 1 1 37 37 ASP CA C 13 52.681 0.038 5 1 . . . . 35 D CA . 16483 1 365 . 1 1 37 37 ASP CB C 13 40.753 0.021 6 1 . . . . 35 D CB . 16483 1 366 . 1 1 37 37 ASP N N 15 113.220 0.014 10 1 . . . . 35 D N . 16483 1 367 . 1 1 38 38 GLY H H 1 8.348 0.009 10 1 . . . . 36 G H . 16483 1 368 . 1 1 38 38 GLY HA2 H 1 3.939 0.005 1 2 . . . . 36 G HA2 . 16483 1 369 . 1 1 38 38 GLY HA3 H 1 3.559 0.005 1 2 . . . . 36 G HA3 . 16483 1 370 . 1 1 38 38 GLY C C 13 177.234 0.005 1 1 . . . . 36 G C . 16483 1 371 . 1 1 38 38 GLY CA C 13 46.207 0.022 6 1 . . . . 36 G CA . 16483 1 372 . 1 1 38 38 GLY N N 15 105.794 0.016 9 1 . . . . 36 G N . 16483 1 373 . 1 1 39 39 ALA H H 1 8.598 0.002 12 1 . . . . 37 A H . 16483 1 374 . 1 1 39 39 ALA HA H 1 4.021 0.005 1 1 . . . . 37 A HA . 16483 1 375 . 1 1 39 39 ALA HB1 H 1 1.786 0.001 2 1 . . . . 37 A MB . 16483 1 376 . 1 1 39 39 ALA HB2 H 1 1.786 0.001 2 1 . . . . 37 A MB . 16483 1 377 . 1 1 39 39 ALA HB3 H 1 1.786 0.001 2 1 . . . . 37 A MB . 16483 1 378 . 1 1 39 39 ALA C C 13 179.178 0.005 1 1 . . . . 37 A C . 16483 1 379 . 1 1 39 39 ALA CA C 13 56.078 0.024 5 1 . . . . 37 A CA . 16483 1 380 . 1 1 39 39 ALA CB C 13 19.898 0.020 6 1 . . . . 37 A CB . 16483 1 381 . 1 1 39 39 ALA N N 15 123.019 0.022 12 1 . . . . 37 A N . 16483 1 382 . 1 1 40 40 ASP H H 1 9.750 0.002 11 1 . . . . 38 D H . 16483 1 383 . 1 1 40 40 ASP HA H 1 3.639 0.001 2 1 . . . . 38 D HA . 16483 1 384 . 1 1 40 40 ASP HB2 H 1 2.716 0.005 1 2 . . . . 38 D HB2 . 16483 1 385 . 1 1 40 40 ASP HB3 H 1 2.588 0.005 1 2 . . . . 38 D HB3 . 16483 1 386 . 1 1 40 40 ASP C C 13 172.522 0.005 1 1 . . . . 38 D C . 16483 1 387 . 1 1 40 40 ASP CA C 13 54.867 0.016 4 1 . . . . 38 D CA . 16483 1 388 . 1 1 40 40 ASP CB C 13 40.632 0.034 5 1 . . . . 38 D CB . 16483 1 389 . 1 1 40 40 ASP N N 15 110.688 0.043 10 1 . . . . 38 D N . 16483 1 390 . 1 1 41 41 GLU H H 1 7.550 0.003 8 1 . . . . 39 E H . 16483 1 391 . 1 1 41 41 GLU HB2 H 1 2.457 0.005 1 2 . . . . 39 E HB2 . 16483 1 392 . 1 1 41 41 GLU HB3 H 1 1.561 0.005 1 2 . . . . 39 E HB3 . 16483 1 393 . 1 1 41 41 GLU HG2 H 1 2.072 0.005 1 2 . . . . 39 E HG2 . 16483 1 394 . 1 1 41 41 GLU HG3 H 1 1.861 0.005 1 2 . . . . 39 E HG3 . 16483 1 395 . 1 1 41 41 GLU C C 13 175.604 0.005 1 1 . . . . 39 E C . 16483 1 396 . 1 1 41 41 GLU CA C 13 54.195 0.033 4 1 . . . . 39 E CA . 16483 1 397 . 1 1 41 41 GLU CB C 13 30.672 0.018 6 1 . . . . 39 E CB . 16483 1 398 . 1 1 41 41 GLU CG C 13 36.802 0.003 3 1 . . . . 39 E CG . 16483 1 399 . 1 1 41 41 GLU N N 15 115.442 0.011 7 1 . . . . 39 E N . 16483 1 400 . 1 1 42 42 SER H H 1 7.321 0.004 11 1 . . . . 40 S H . 16483 1 401 . 1 1 42 42 SER HA H 1 4.766 0.005 1 1 . . . . 40 S HA . 16483 1 402 . 1 1 42 42 SER HB2 H 1 4.301 0.002 3 2 . . . . 40 S HB2 . 16483 1 403 . 1 1 42 42 SER HB3 H 1 3.916 0.005 3 2 . . . . 40 S HB3 . 16483 1 404 . 1 1 42 42 SER C C 13 175.960 0.005 1 1 . . . . 40 S C . 16483 1 405 . 1 1 42 42 SER CA C 13 57.542 0.051 5 1 . . . . 40 S CA . 16483 1 406 . 1 1 42 42 SER CB C 13 67.695 0.023 10 1 . . . . 40 S CB . 16483 1 407 . 1 1 42 42 SER N N 15 115.713 0.015 11 1 . . . . 40 S N . 16483 1 408 . 1 1 43 43 ILE H H 1 8.724 0.006 10 1 . . . . 41 I H . 16483 1 409 . 1 1 43 43 ILE HA H 1 4.034 0.005 1 1 . . . . 41 I HA . 16483 1 410 . 1 1 43 43 ILE HB H 1 1.856 0.005 1 1 . . . . 41 I HB . 16483 1 411 . 1 1 43 43 ILE HD11 H 1 0.839 0.003 2 1 . . . . 41 I MD . 16483 1 412 . 1 1 43 43 ILE HD12 H 1 0.839 0.003 2 1 . . . . 41 I MD . 16483 1 413 . 1 1 43 43 ILE HD13 H 1 0.839 0.003 2 1 . . . . 41 I MD . 16483 1 414 . 1 1 43 43 ILE HG12 H 1 1.486 0.005 1 2 . . . . 41 I HG12 . 16483 1 415 . 1 1 43 43 ILE HG13 H 1 1.234 0.005 1 2 . . . . 41 I HG13 . 16483 1 416 . 1 1 43 43 ILE HG21 H 1 0.926 0.001 2 1 . . . . 41 I MG . 16483 1 417 . 1 1 43 43 ILE HG22 H 1 0.926 0.001 2 1 . . . . 41 I MG . 16483 1 418 . 1 1 43 43 ILE HG23 H 1 0.926 0.001 2 1 . . . . 41 I MG . 16483 1 419 . 1 1 43 43 ILE C C 13 179.137 0.005 1 1 . . . . 41 I C . 16483 1 420 . 1 1 43 43 ILE CA C 13 63.825 0.033 5 1 . . . . 41 I CA . 16483 1 421 . 1 1 43 43 ILE CB C 13 38.055 0.049 5 1 . . . . 41 I CB . 16483 1 422 . 1 1 43 43 ILE CD1 C 13 13.574 0.015 3 1 . . . . 41 I CD1 . 16483 1 423 . 1 1 43 43 ILE CG1 C 13 28.471 0.012 3 1 . . . . 41 I CG1 . 16483 1 424 . 1 1 43 43 ILE CG2 C 13 17.454 0.010 3 1 . . . . 41 I CG2 . 16483 1 425 . 1 1 43 43 ILE N N 15 120.896 0.018 10 1 . . . . 41 I N . 16483 1 426 . 1 1 44 44 ALA H H 1 8.159 0.002 13 1 . . . . 42 A H . 16483 1 427 . 1 1 44 44 ALA HA H 1 4.171 0.005 1 1 . . . . 42 A HA . 16483 1 428 . 1 1 44 44 ALA HB1 H 1 1.501 0.001 2 1 . . . . 42 A MB . 16483 1 429 . 1 1 44 44 ALA HB2 H 1 1.501 0.001 2 1 . . . . 42 A MB . 16483 1 430 . 1 1 44 44 ALA HB3 H 1 1.501 0.001 2 1 . . . . 42 A MB . 16483 1 431 . 1 1 44 44 ALA C C 13 178.411 0.005 1 1 . . . . 42 A C . 16483 1 432 . 1 1 44 44 ALA CA C 13 54.651 0.012 5 1 . . . . 42 A CA . 16483 1 433 . 1 1 44 44 ALA CB C 13 18.309 0.029 6 1 . . . . 42 A CB . 16483 1 434 . 1 1 44 44 ALA N N 15 124.513 0.042 13 1 . . . . 42 A N . 16483 1 435 . 1 1 45 45 ALA H H 1 7.370 0.002 10 1 . . . . 43 A H . 16483 1 436 . 1 1 45 45 ALA HA H 1 4.208 0.005 2 1 . . . . 43 A HA . 16483 1 437 . 1 1 45 45 ALA HB1 H 1 1.154 0.003 2 1 . . . . 43 A MB . 16483 1 438 . 1 1 45 45 ALA HB2 H 1 1.154 0.003 2 1 . . . . 43 A MB . 16483 1 439 . 1 1 45 45 ALA HB3 H 1 1.154 0.003 2 1 . . . . 43 A MB . 16483 1 440 . 1 1 45 45 ALA C C 13 176.412 0.005 1 1 . . . . 43 A C . 16483 1 441 . 1 1 45 45 ALA CA C 13 51.699 0.016 6 1 . . . . 43 A CA . 16483 1 442 . 1 1 45 45 ALA CB C 13 19.890 0.015 6 1 . . . . 43 A CB . 16483 1 443 . 1 1 45 45 ALA N N 15 118.647 0.006 10 1 . . . . 43 A N . 16483 1 444 . 1 1 46 46 GLY H H 1 7.889 0.002 9 1 . . . . 44 G H . 16483 1 445 . 1 1 46 46 GLY HA2 H 1 4.141 0.005 1 2 . . . . 44 G HA2 . 16483 1 446 . 1 1 46 46 GLY HA3 H 1 3.598 0.005 1 2 . . . . 44 G HA3 . 16483 1 447 . 1 1 46 46 GLY C C 13 174.330 0.005 1 1 . . . . 44 G C . 16483 1 448 . 1 1 46 46 GLY CA C 13 44.892 0.020 6 1 . . . . 44 G CA . 16483 1 449 . 1 1 46 46 GLY N N 15 104.049 0.017 9 1 . . . . 44 G N . 16483 1 450 . 1 1 47 47 CYS H H 1 7.318 0.005 8 1 . . . . 45 C H . 16483 1 451 . 1 1 47 47 CYS HA H 1 4.594 0.005 1 1 . . . . 45 C HA . 16483 1 452 . 1 1 47 47 CYS HB2 H 1 2.917 0.003 2 2 . . . . 45 C HB2 . 16483 1 453 . 1 1 47 47 CYS HB3 H 1 2.059 0.001 2 2 . . . . 45 C HB3 . 16483 1 454 . 1 1 47 47 CYS C C 13 174.412 0.005 1 1 . . . . 45 C C . 16483 1 455 . 1 1 47 47 CYS CA C 13 52.561 0.007 5 1 . . . . 45 C CA . 16483 1 456 . 1 1 47 47 CYS CB C 13 34.218 0.028 8 1 . . . . 45 C CB . 16483 1 457 . 1 1 47 47 CYS N N 15 117.329 0.016 7 1 . . . . 45 C N . 16483 1 458 . 1 1 48 48 LEU H H 1 8.245 0.002 12 1 . . . . 46 L H . 16483 1 459 . 1 1 48 48 LEU HA H 1 4.229 0.005 1 1 . . . . 46 L HA . 16483 1 460 . 1 1 48 48 LEU HB2 H 1 1.406 0.005 1 2 . . . . 46 L QB . 16483 1 461 . 1 1 48 48 LEU HB3 H 1 1.406 0.005 1 2 . . . . 46 L QB . 16483 1 462 . 1 1 48 48 LEU HD11 H 1 0.751 0.005 1 2 . . . . 46 L MD1 . 16483 1 463 . 1 1 48 48 LEU HD12 H 1 0.751 0.005 1 2 . . . . 46 L MD1 . 16483 1 464 . 1 1 48 48 LEU HD13 H 1 0.751 0.005 1 2 . . . . 46 L MD1 . 16483 1 465 . 1 1 48 48 LEU HD21 H 1 0.836 0.005 1 2 . . . . 46 L MD2 . 16483 1 466 . 1 1 48 48 LEU HD22 H 1 0.836 0.005 1 2 . . . . 46 L MD2 . 16483 1 467 . 1 1 48 48 LEU HD23 H 1 0.836 0.005 1 2 . . . . 46 L MD2 . 16483 1 468 . 1 1 48 48 LEU HG H 1 1.462 0.005 1 1 . . . . 46 L HG . 16483 1 469 . 1 1 48 48 LEU C C 13 176.809 0.005 1 1 . . . . 46 L C . 16483 1 470 . 1 1 48 48 LEU CA C 13 55.118 0.022 5 1 . . . . 46 L CA . 16483 1 471 . 1 1 48 48 LEU CB C 13 42.699 0.032 5 1 . . . . 46 L CB . 16483 1 472 . 1 1 48 48 LEU CD1 C 13 23.569 0.011 2 2 . . . . 46 L CD1 . 16483 1 473 . 1 1 48 48 LEU CD2 C 13 24.944 0.012 2 2 . . . . 46 L CD2 . 16483 1 474 . 1 1 48 48 LEU CG C 13 26.998 0.044 2 1 . . . . 46 L CG . 16483 1 475 . 1 1 48 48 LEU N N 15 122.737 0.033 12 1 . . . . 46 L N . 16483 1 476 . 1 1 49 49 TYR H H 1 8.033 0.003 13 1 . . . . 47 Y H . 16483 1 477 . 1 1 49 49 TYR HA H 1 4.492 0.005 1 1 . . . . 47 Y HA . 16483 1 478 . 1 1 49 49 TYR HB2 H 1 2.971 0.005 1 2 . . . . 47 Y HB2 . 16483 1 479 . 1 1 49 49 TYR HB3 H 1 2.847 0.005 1 2 . . . . 47 Y HB3 . 16483 1 480 . 1 1 49 49 TYR HD1 H 1 7.001 0.005 2 3 . . . . 47 Y QD . 16483 1 481 . 1 1 49 49 TYR HD2 H 1 7.001 0.005 2 3 . . . . 47 Y QD . 16483 1 482 . 1 1 49 49 TYR HE1 H 1 6.721 0.005 2 3 . . . . 47 Y QE . 16483 1 483 . 1 1 49 49 TYR HE2 H 1 6.721 0.005 2 3 . . . . 47 Y QE . 16483 1 484 . 1 1 49 49 TYR CA C 13 57.557 0.048 3 1 . . . . 47 Y CA . 16483 1 485 . 1 1 49 49 TYR CB C 13 38.827 0.018 5 1 . . . . 47 Y CB . 16483 1 486 . 1 1 49 49 TYR CD1 C 13 133.232 0.003 2 3 . . . . 47 Y CD1 . 16483 1 487 . 1 1 49 49 TYR CE1 C 13 118.101 0.010 2 3 . . . . 47 Y CE1 . 16483 1 488 . 1 1 49 49 TYR N N 15 119.202 0.022 13 1 . . . . 47 Y N . 16483 1 489 . 1 1 50 50 ASN H H 1 8.289 0.007 6 1 . . . . 48 N H . 16483 1 490 . 1 1 50 50 ASN HB2 H 1 2.742 0.005 1 2 . . . . 48 N HB2 . 16483 1 491 . 1 1 50 50 ASN HB3 H 1 2.614 0.005 1 2 . . . . 48 N HB3 . 16483 1 492 . 1 1 50 50 ASN HD21 H 1 7.547 0.001 5 2 . . . . 48 N HD21 . 16483 1 493 . 1 1 50 50 ASN HD22 H 1 6.854 0.003 5 2 . . . . 48 N HD22 . 16483 1 494 . 1 1 50 50 ASN CA C 13 52.857 0.053 4 1 . . . . 48 N CA . 16483 1 495 . 1 1 50 50 ASN CB C 13 38.990 0.018 7 1 . . . . 48 N CB . 16483 1 496 . 1 1 50 50 ASN N N 15 119.722 0.028 6 1 . . . . 48 N N . 16483 1 497 . 1 1 50 50 ASN ND2 N 15 111.688 0.268 8 1 . . . . 48 N ND2 . 16483 1 498 . 1 1 51 51 SER H H 1 8.267 0.014 7 1 . . . . 49 S H . 16483 1 499 . 1 1 51 51 SER HA H 1 4.417 0.005 1 1 . . . . 49 S HA . 16483 1 500 . 1 1 51 51 SER HB2 H 1 3.886 0.005 1 2 . . . . 49 S HB2 . 16483 1 501 . 1 1 51 51 SER HB3 H 1 3.795 0.005 1 2 . . . . 49 S HB3 . 16483 1 502 . 1 1 51 51 SER C C 13 175.097 0.005 1 1 . . . . 49 S C . 16483 1 503 . 1 1 51 51 SER CA C 13 58.623 0.024 5 1 . . . . 49 S CA . 16483 1 504 . 1 1 51 51 SER CB C 13 63.829 0.039 6 1 . . . . 49 S CB . 16483 1 505 . 1 1 51 51 SER N N 15 115.945 0.018 7 1 . . . . 49 S N . 16483 1 506 . 1 1 52 52 THR H H 1 8.177 0.006 10 1 . . . . 50 T H . 16483 1 507 . 1 1 52 52 THR HA H 1 4.331 0.005 1 1 . . . . 50 T HA . 16483 1 508 . 1 1 52 52 THR HB H 1 4.242 0.005 1 1 . . . . 50 T HB . 16483 1 509 . 1 1 52 52 THR HG21 H 1 1.151 0.005 1 1 . . . . 50 T MG . 16483 1 510 . 1 1 52 52 THR HG22 H 1 1.151 0.005 1 1 . . . . 50 T MG . 16483 1 511 . 1 1 52 52 THR HG23 H 1 1.151 0.005 1 1 . . . . 50 T MG . 16483 1 512 . 1 1 52 52 THR C C 13 175.261 0.005 1 1 . . . . 50 T C . 16483 1 513 . 1 1 52 52 THR CA C 13 62.198 0.057 4 1 . . . . 50 T CA . 16483 1 514 . 1 1 52 52 THR CB C 13 69.751 0.016 5 1 . . . . 50 T CB . 16483 1 515 . 1 1 52 52 THR CG2 C 13 21.610 0.001 2 1 . . . . 50 T CG2 . 16483 1 516 . 1 1 52 52 THR N N 15 114.213 0.028 10 1 . . . . 50 T N . 16483 1 517 . 1 1 53 53 GLY H H 1 8.339 0.011 8 1 . . . . 51 G H . 16483 1 518 . 1 1 53 53 GLY HA2 H 1 3.966 0.005 1 2 . . . . 51 G QA . 16483 1 519 . 1 1 53 53 GLY HA3 H 1 3.966 0.005 1 2 . . . . 51 G QA . 16483 1 520 . 1 1 53 53 GLY C C 13 174.316 0.005 1 1 . . . . 51 G C . 16483 1 521 . 1 1 53 53 GLY CA C 13 45.436 0.024 5 1 . . . . 51 G CA . 16483 1 522 . 1 1 53 53 GLY N N 15 110.373 0.032 8 1 . . . . 51 G N . 16483 1 523 . 1 1 54 54 SER H H 1 8.247 0.007 7 1 . . . . 52 S H . 16483 1 524 . 1 1 54 54 SER HA H 1 4.418 0.005 1 1 . . . . 52 S HA . 16483 1 525 . 1 1 54 54 SER C C 13 175.165 0.005 1 1 . . . . 52 S C . 16483 1 526 . 1 1 54 54 SER CA C 13 58.568 0.068 5 1 . . . . 52 S CA . 16483 1 527 . 1 1 54 54 SER CB C 13 63.965 0.028 4 1 . . . . 52 S CB . 16483 1 528 . 1 1 54 54 SER N N 15 115.133 0.029 7 1 . . . . 52 S N . 16483 1 529 . 1 1 55 55 GLY H H 1 8.505 0.005 8 1 . . . . 53 G H . 16483 1 530 . 1 1 55 55 GLY CA C 13 45.455 0.005 1 1 . . . . 53 G CA . 16483 1 531 . 1 1 55 55 GLY N N 15 110.395 0.025 8 1 . . . . 53 G N . 16483 1 532 . 1 1 56 56 SER HB2 H 1 3.850 0.005 1 2 . . . . 54 S HB2 . 16483 1 533 . 1 1 56 56 SER HB3 H 1 3.813 0.005 1 2 . . . . 54 S HB3 . 16483 1 534 . 1 1 56 56 SER CB C 13 63.959 0.003 2 1 . . . . 54 S CB . 16483 1 535 . 1 1 60 60 SER HA H 1 4.494 0.005 1 1 . . . . 129 S HA . 16483 1 536 . 1 1 60 60 SER HB2 H 1 3.950 0.005 1 2 . . . . 129 S HB2 . 16483 1 537 . 1 1 60 60 SER HB3 H 1 3.852 0.005 1 2 . . . . 129 S HB3 . 16483 1 538 . 1 1 60 60 SER C C 13 176.987 0.005 1 1 . . . . 129 S C . 16483 1 539 . 1 1 60 60 SER CA C 13 58.273 0.056 4 1 . . . . 129 S CA . 16483 1 540 . 1 1 60 60 SER CB C 13 64.072 0.013 5 1 . . . . 129 S CB . 16483 1 541 . 1 1 61 61 THR H H 1 8.295 0.009 10 1 . . . . 130 T H . 16483 1 542 . 1 1 61 61 THR HA H 1 4.204 0.003 2 1 . . . . 130 T HA . 16483 1 543 . 1 1 61 61 THR HB H 1 4.258 0.005 1 1 . . . . 130 T HB . 16483 1 544 . 1 1 61 61 THR HG21 H 1 1.186 0.005 1 1 . . . . 130 T MG . 16483 1 545 . 1 1 61 61 THR HG22 H 1 1.186 0.005 1 1 . . . . 130 T MG . 16483 1 546 . 1 1 61 61 THR HG23 H 1 1.186 0.005 1 1 . . . . 130 T MG . 16483 1 547 . 1 1 61 61 THR C C 13 175.398 0.005 1 1 . . . . 130 T C . 16483 1 548 . 1 1 61 61 THR CA C 13 63.195 0.046 6 1 . . . . 130 T CA . 16483 1 549 . 1 1 61 61 THR CB C 13 69.425 0.052 5 1 . . . . 130 T CB . 16483 1 550 . 1 1 61 61 THR CG2 C 13 21.931 0.014 2 1 . . . . 130 T CG2 . 16483 1 551 . 1 1 61 61 THR N N 15 115.452 0.031 10 1 . . . . 130 T N . 16483 1 552 . 1 1 62 62 GLU H H 1 8.424 0.002 11 1 . . . . 131 E H . 16483 1 553 . 1 1 62 62 GLU HA H 1 4.140 0.005 1 1 . . . . 131 E HA . 16483 1 554 . 1 1 62 62 GLU HB2 H 1 1.945 0.005 1 2 . . . . 131 E QB . 16483 1 555 . 1 1 62 62 GLU HB3 H 1 1.945 0.005 1 2 . . . . 131 E QB . 16483 1 556 . 1 1 62 62 GLU HG2 H 1 2.226 0.005 1 2 . . . . 131 E QG . 16483 1 557 . 1 1 62 62 GLU HG3 H 1 2.226 0.005 1 2 . . . . 131 E QG . 16483 1 558 . 1 1 62 62 GLU C C 13 177.261 0.005 1 1 . . . . 131 E C . 16483 1 559 . 1 1 62 62 GLU CA C 13 58.068 0.023 4 1 . . . . 131 E CA . 16483 1 560 . 1 1 62 62 GLU CB C 13 29.817 0.036 4 1 . . . . 131 E CB . 16483 1 561 . 1 1 62 62 GLU CG C 13 36.166 0.002 2 1 . . . . 131 E CG . 16483 1 562 . 1 1 62 62 GLU N N 15 122.007 0.009 11 1 . . . . 131 E N . 16483 1 563 . 1 1 63 63 GLU H H 1 8.200 0.003 9 1 . . . . 132 E H . 16483 1 564 . 1 1 63 63 GLU HA H 1 4.074 0.005 1 1 . . . . 132 E HA . 16483 1 565 . 1 1 63 63 GLU HB2 H 1 1.970 0.005 1 2 . . . . 132 E QB . 16483 1 566 . 1 1 63 63 GLU HB3 H 1 1.970 0.005 1 2 . . . . 132 E QB . 16483 1 567 . 1 1 63 63 GLU HG2 H 1 2.248 0.005 1 2 . . . . 132 E HG2 . 16483 1 568 . 1 1 63 63 GLU HG3 H 1 2.216 0.005 1 2 . . . . 132 E HG3 . 16483 1 569 . 1 1 63 63 GLU C C 13 177.727 0.005 1 1 . . . . 132 E C . 16483 1 570 . 1 1 63 63 GLU CA C 13 58.059 0.040 5 1 . . . . 132 E CA . 16483 1 571 . 1 1 63 63 GLU CB C 13 29.866 0.015 5 1 . . . . 132 E CB . 16483 1 572 . 1 1 63 63 GLU CG C 13 36.526 0.009 3 1 . . . . 132 E CG . 16483 1 573 . 1 1 63 63 GLU N N 15 119.849 0.009 9 1 . . . . 132 E N . 16483 1 574 . 1 1 64 64 LEU H H 1 8.043 0.001 11 1 . . . . 133 L H . 16483 1 575 . 1 1 64 64 LEU HA H 1 4.107 0.005 1 1 . . . . 133 L HA . 16483 1 576 . 1 1 64 64 LEU HB2 H 1 1.653 0.005 1 2 . . . . 133 L HB2 . 16483 1 577 . 1 1 64 64 LEU HB3 H 1 1.581 0.005 1 2 . . . . 133 L HB3 . 16483 1 578 . 1 1 64 64 LEU HD11 H 1 0.807 0.005 1 2 . . . . 133 L MD1 . 16483 1 579 . 1 1 64 64 LEU HD12 H 1 0.807 0.005 1 2 . . . . 133 L MD1 . 16483 1 580 . 1 1 64 64 LEU HD13 H 1 0.807 0.005 1 2 . . . . 133 L MD1 . 16483 1 581 . 1 1 64 64 LEU HD21 H 1 0.849 0.005 1 2 . . . . 133 L MD2 . 16483 1 582 . 1 1 64 64 LEU HD22 H 1 0.849 0.005 1 2 . . . . 133 L MD2 . 16483 1 583 . 1 1 64 64 LEU HD23 H 1 0.849 0.005 1 2 . . . . 133 L MD2 . 16483 1 584 . 1 1 64 64 LEU HG H 1 1.582 0.005 1 1 . . . . 133 L HG . 16483 1 585 . 1 1 64 64 LEU C C 13 178.110 0.005 1 1 . . . . 133 L C . 16483 1 586 . 1 1 64 64 LEU CA C 13 56.834 0.038 5 1 . . . . 133 L CA . 16483 1 587 . 1 1 64 64 LEU CB C 13 41.859 0.015 6 1 . . . . 133 L CB . 16483 1 588 . 1 1 64 64 LEU CD1 C 13 23.917 0.013 2 2 . . . . 133 L CD1 . 16483 1 589 . 1 1 64 64 LEU CD2 C 13 24.642 0.011 2 2 . . . . 133 L CD2 . 16483 1 590 . 1 1 64 64 LEU CG C 13 27.001 0.005 2 1 . . . . 133 L CG . 16483 1 591 . 1 1 64 64 LEU N N 15 120.927 0.025 11 1 . . . . 133 L N . 16483 1 592 . 1 1 65 65 ARG H H 1 8.124 0.002 13 1 . . . . 134 R H . 16483 1 593 . 1 1 65 65 ARG HA H 1 4.069 0.005 1 1 . . . . 134 R HA . 16483 1 594 . 1 1 65 65 ARG HB2 H 1 1.827 0.005 1 2 . . . . 134 R QB . 16483 1 595 . 1 1 65 65 ARG HB3 H 1 1.827 0.005 1 2 . . . . 134 R QB . 16483 1 596 . 1 1 65 65 ARG HD2 H 1 3.137 0.005 1 2 . . . . 134 R QD . 16483 1 597 . 1 1 65 65 ARG HD3 H 1 3.137 0.005 1 2 . . . . 134 R QD . 16483 1 598 . 1 1 65 65 ARG HG2 H 1 1.653 0.005 1 2 . . . . 134 R HG2 . 16483 1 599 . 1 1 65 65 ARG HG3 H 1 1.534 0.005 1 2 . . . . 134 R HG3 . 16483 1 600 . 1 1 65 65 ARG C C 13 177.877 0.005 1 1 . . . . 134 R C . 16483 1 601 . 1 1 65 65 ARG CA C 13 58.260 0.070 5 1 . . . . 134 R CA . 16483 1 602 . 1 1 65 65 ARG CB C 13 30.330 0.028 5 1 . . . . 134 R CB . 16483 1 603 . 1 1 65 65 ARG CD C 13 43.395 0.074 2 1 . . . . 134 R CD . 16483 1 604 . 1 1 65 65 ARG CG C 13 27.497 0.008 3 1 . . . . 134 R CG . 16483 1 605 . 1 1 65 65 ARG N N 15 119.235 0.033 13 1 . . . . 134 R N . 16483 1 606 . 1 1 66 66 VAL H H 1 7.877 0.003 12 1 . . . . 135 V H . 16483 1 607 . 1 1 66 66 VAL HA H 1 3.844 0.005 1 1 . . . . 135 V HA . 16483 1 608 . 1 1 66 66 VAL HB H 1 2.067 0.005 2 1 . . . . 135 V HB . 16483 1 609 . 1 1 66 66 VAL HG11 H 1 0.877 0.005 1 2 . . . . 135 V MG1 . 16483 1 610 . 1 1 66 66 VAL HG12 H 1 0.877 0.005 1 2 . . . . 135 V MG1 . 16483 1 611 . 1 1 66 66 VAL HG13 H 1 0.877 0.005 1 2 . . . . 135 V MG1 . 16483 1 612 . 1 1 66 66 VAL HG21 H 1 0.942 0.005 1 2 . . . . 135 V MG2 . 16483 1 613 . 1 1 66 66 VAL HG22 H 1 0.942 0.005 1 2 . . . . 135 V MG2 . 16483 1 614 . 1 1 66 66 VAL HG23 H 1 0.942 0.005 1 2 . . . . 135 V MG2 . 16483 1 615 . 1 1 66 66 VAL C C 13 177.398 0.005 1 1 . . . . 135 V C . 16483 1 616 . 1 1 66 66 VAL CA C 13 64.159 0.073 5 1 . . . . 135 V CA . 16483 1 617 . 1 1 66 66 VAL CB C 13 32.312 0.019 6 1 . . . . 135 V CB . 16483 1 618 . 1 1 66 66 VAL CG1 C 13 21.162 0.005 1 2 . . . . 135 V CG1 . 16483 1 619 . 1 1 66 66 VAL CG2 C 13 21.640 0.005 1 2 . . . . 135 V CG2 . 16483 1 620 . 1 1 66 66 VAL N N 15 118.973 0.013 12 1 . . . . 135 V N . 16483 1 621 . 1 1 67 67 ARG H H 1 8.125 0.004 10 1 . . . . 136 R H . 16483 1 622 . 1 1 67 67 ARG HA H 1 4.163 0.005 1 1 . . . . 136 R HA . 16483 1 623 . 1 1 67 67 ARG HB2 H 1 1.813 0.005 1 2 . . . . 136 R QB . 16483 1 624 . 1 1 67 67 ARG HB3 H 1 1.813 0.005 1 2 . . . . 136 R QB . 16483 1 625 . 1 1 67 67 ARG HD2 H 1 3.140 0.005 1 2 . . . . 136 R QD . 16483 1 626 . 1 1 67 67 ARG HD3 H 1 3.140 0.005 1 2 . . . . 136 R QD . 16483 1 627 . 1 1 67 67 ARG HG2 H 1 1.610 0.005 1 2 . . . . 136 R QG . 16483 1 628 . 1 1 67 67 ARG HG3 H 1 1.610 0.005 1 2 . . . . 136 R QG . 16483 1 629 . 1 1 67 67 ARG C C 13 177.740 0.005 1 1 . . . . 136 R C . 16483 1 630 . 1 1 67 67 ARG CA C 13 57.728 0.055 5 1 . . . . 136 R CA . 16483 1 631 . 1 1 67 67 ARG CB C 13 30.537 0.013 4 1 . . . . 136 R CB . 16483 1 632 . 1 1 67 67 ARG CD C 13 43.521 0.060 2 1 . . . . 136 R CD . 16483 1 633 . 1 1 67 67 ARG CG C 13 27.191 0.005 2 1 . . . . 136 R CG . 16483 1 634 . 1 1 67 67 ARG N N 15 122.168 0.035 10 1 . . . . 136 R N . 16483 1 635 . 1 1 68 68 LEU H H 1 8.271 0.003 10 1 . . . . 137 L H . 16483 1 636 . 1 1 68 68 LEU HA H 1 4.195 0.005 1 1 . . . . 137 L HA . 16483 1 637 . 1 1 68 68 LEU HB2 H 1 1.545 0.005 1 2 . . . . 137 L QB . 16483 1 638 . 1 1 68 68 LEU HB3 H 1 1.545 0.005 1 2 . . . . 137 L QB . 16483 1 639 . 1 1 68 68 LEU HD11 H 1 0.807 0.005 1 2 . . . . 137 L MD1 . 16483 1 640 . 1 1 68 68 LEU HD12 H 1 0.807 0.005 1 2 . . . . 137 L MD1 . 16483 1 641 . 1 1 68 68 LEU HD13 H 1 0.807 0.005 1 2 . . . . 137 L MD1 . 16483 1 642 . 1 1 68 68 LEU HD21 H 1 0.832 0.005 1 2 . . . . 137 L MD2 . 16483 1 643 . 1 1 68 68 LEU HD22 H 1 0.832 0.005 1 2 . . . . 137 L MD2 . 16483 1 644 . 1 1 68 68 LEU HD23 H 1 0.832 0.005 1 2 . . . . 137 L MD2 . 16483 1 645 . 1 1 68 68 LEU HG H 1 1.646 0.005 1 1 . . . . 137 L HG . 16483 1 646 . 1 1 68 68 LEU C C 13 177.877 0.005 1 1 . . . . 137 L C . 16483 1 647 . 1 1 68 68 LEU CA C 13 56.321 0.033 4 1 . . . . 137 L CA . 16483 1 648 . 1 1 68 68 LEU CB C 13 42.164 0.027 5 1 . . . . 137 L CB . 16483 1 649 . 1 1 68 68 LEU CD1 C 13 23.686 0.029 2 2 . . . . 137 L CD1 . 16483 1 650 . 1 1 68 68 LEU CD2 C 13 24.824 0.037 2 2 . . . . 137 L CD2 . 16483 1 651 . 1 1 68 68 LEU CG C 13 26.876 0.005 1 1 . . . . 137 L CG . 16483 1 652 . 1 1 68 68 LEU N N 15 121.119 0.034 10 1 . . . . 137 L N . 16483 1 653 . 1 1 69 69 ALA H H 1 8.100 0.003 12 1 . . . . 138 A H . 16483 1 654 . 1 1 69 69 ALA HA H 1 4.168 0.005 1 1 . . . . 138 A HA . 16483 1 655 . 1 1 69 69 ALA HB1 H 1 1.410 0.006 2 1 . . . . 138 A MB . 16483 1 656 . 1 1 69 69 ALA HB2 H 1 1.410 0.006 2 1 . . . . 138 A MB . 16483 1 657 . 1 1 69 69 ALA HB3 H 1 1.410 0.006 2 1 . . . . 138 A MB . 16483 1 658 . 1 1 69 69 ALA C C 13 179.439 0.005 1 1 . . . . 138 A C . 16483 1 659 . 1 1 69 69 ALA CA C 13 53.959 0.051 5 1 . . . . 138 A CA . 16483 1 660 . 1 1 69 69 ALA CB C 13 18.693 0.051 6 1 . . . . 138 A CB . 16483 1 661 . 1 1 69 69 ALA N N 15 122.191 0.043 12 1 . . . . 138 A N . 16483 1 662 . 1 1 70 70 SER H H 1 8.194 0.010 9 1 . . . . 139 S H . 16483 1 663 . 1 1 70 70 SER HA H 1 4.169 0.001 2 1 . . . . 139 S HA . 16483 1 664 . 1 1 70 70 SER HB2 H 1 3.920 0.005 1 2 . . . . 139 S HB2 . 16483 1 665 . 1 1 70 70 SER HB3 H 1 3.872 0.005 1 2 . . . . 139 S HB3 . 16483 1 666 . 1 1 70 70 SER CA C 13 60.486 0.036 4 1 . . . . 139 S CA . 16483 1 667 . 1 1 70 70 SER CB C 13 63.174 0.036 4 1 . . . . 139 S CB . 16483 1 668 . 1 1 70 70 SER N N 15 113.569 0.030 10 1 . . . . 139 S N . 16483 1 669 . 1 1 71 71 HIS H H 1 8.098 0.008 3 1 . . . . 140 H H . 16483 1 670 . 1 1 71 71 HIS HA H 1 4.433 0.005 1 1 . . . . 140 H HA . 16483 1 671 . 1 1 71 71 HIS HB2 H 1 3.135 0.005 3 2 . . . . 140 H QB . 16483 1 672 . 1 1 71 71 HIS HB3 H 1 3.135 0.005 3 2 . . . . 140 H QB . 16483 1 673 . 1 1 71 71 HIS HD2 H 1 6.857 0.001 2 1 . . . . 140 H HD2 . 16483 1 674 . 1 1 71 71 HIS HE1 H 1 7.682 0.001 2 1 . . . . 140 H HE1 . 16483 1 675 . 1 1 71 71 HIS CA C 13 58.376 0.005 1 1 . . . . 140 H CA . 16483 1 676 . 1 1 71 71 HIS CB C 13 30.820 0.095 4 1 . . . . 140 H CB . 16483 1 677 . 1 1 71 71 HIS CD2 C 13 119.213 0.074 2 1 . . . . 140 H CD2 . 16483 1 678 . 1 1 71 71 HIS CE1 C 13 138.805 0.031 2 1 . . . . 140 H CE1 . 16483 1 679 . 1 1 71 71 HIS N N 15 120.739 0.055 3 1 . . . . 140 H N . 16483 1 680 . 1 1 72 72 LEU H H 1 7.903 0.005 1 1 . . . . 141 L H . 16483 1 681 . 1 1 72 72 LEU HA H 1 4.072 0.005 1 1 . . . . 141 L HA . 16483 1 682 . 1 1 72 72 LEU HB2 H 1 1.660 0.005 1 2 . . . . 141 L HB2 . 16483 1 683 . 1 1 72 72 LEU HB3 H 1 1.470 0.005 1 2 . . . . 141 L HB3 . 16483 1 684 . 1 1 72 72 LEU HD11 H 1 0.781 0.005 1 2 . . . . 141 L MD1 . 16483 1 685 . 1 1 72 72 LEU HD12 H 1 0.781 0.005 1 2 . . . . 141 L MD1 . 16483 1 686 . 1 1 72 72 LEU HD13 H 1 0.781 0.005 1 2 . . . . 141 L MD1 . 16483 1 687 . 1 1 72 72 LEU HD21 H 1 0.844 0.005 1 2 . . . . 141 L MD2 . 16483 1 688 . 1 1 72 72 LEU HD22 H 1 0.844 0.005 1 2 . . . . 141 L MD2 . 16483 1 689 . 1 1 72 72 LEU HD23 H 1 0.844 0.005 1 2 . . . . 141 L MD2 . 16483 1 690 . 1 1 72 72 LEU HG H 1 1.414 0.005 1 1 . . . . 141 L HG . 16483 1 691 . 1 1 72 72 LEU C C 13 178.329 0.005 1 1 . . . . 141 L C . 16483 1 692 . 1 1 72 72 LEU CA C 13 56.415 0.004 2 1 . . . . 141 L CA . 16483 1 693 . 1 1 72 72 LEU CB C 13 41.852 0.022 3 1 . . . . 141 L CB . 16483 1 694 . 1 1 72 72 LEU CD1 C 13 23.164 0.005 1 2 . . . . 141 L CD1 . 16483 1 695 . 1 1 72 72 LEU CD2 C 13 25.267 0.005 1 2 . . . . 141 L CD2 . 16483 1 696 . 1 1 72 72 LEU CG C 13 26.795 0.005 1 1 . . . . 141 L CG . 16483 1 697 . 1 1 72 72 LEU N N 15 119.304 0.005 1 1 . . . . 141 L N . 16483 1 698 . 1 1 73 73 ARG H H 1 7.914 0.003 4 1 . . . . 142 R H . 16483 1 699 . 1 1 73 73 ARG HA H 1 4.073 0.005 1 1 . . . . 142 R HA . 16483 1 700 . 1 1 73 73 ARG HB2 H 1 1.798 0.005 1 2 . . . . 142 R QB . 16483 1 701 . 1 1 73 73 ARG HB3 H 1 1.798 0.005 1 2 . . . . 142 R QB . 16483 1 702 . 1 1 73 73 ARG HD2 H 1 3.135 0.005 1 2 . . . . 142 R QD . 16483 1 703 . 1 1 73 73 ARG HD3 H 1 3.135 0.005 1 2 . . . . 142 R QD . 16483 1 704 . 1 1 73 73 ARG HG2 H 1 1.654 0.005 1 2 . . . . 142 R HG2 . 16483 1 705 . 1 1 73 73 ARG HG3 H 1 1.513 0.005 1 2 . . . . 142 R HG3 . 16483 1 706 . 1 1 73 73 ARG CA C 13 58.152 0.026 2 1 . . . . 142 R CA . 16483 1 707 . 1 1 73 73 ARG CB C 13 30.636 0.005 2 1 . . . . 142 R CB . 16483 1 708 . 1 1 73 73 ARG CD C 13 43.471 0.009 2 1 . . . . 142 R CD . 16483 1 709 . 1 1 73 73 ARG CG C 13 27.556 0.033 3 1 . . . . 142 R CG . 16483 1 710 . 1 1 73 73 ARG N N 15 118.986 0.006 4 1 . . . . 142 R N . 16483 1 711 . 1 1 74 74 LYS H H 1 7.902 0.012 7 1 . . . . 143 K H . 16483 1 712 . 1 1 74 74 LYS HA H 1 4.085 0.005 1 1 . . . . 143 K HA . 16483 1 713 . 1 1 74 74 LYS HB2 H 1 1.743 0.005 1 2 . . . . 143 K QB . 16483 1 714 . 1 1 74 74 LYS HB3 H 1 1.743 0.005 1 2 . . . . 143 K QB . 16483 1 715 . 1 1 74 74 LYS HD2 H 1 1.470 0.005 1 2 . . . . 143 K HD2 . 16483 1 716 . 1 1 74 74 LYS HD3 H 1 1.387 0.005 1 2 . . . . 143 K HD3 . 16483 1 717 . 1 1 74 74 LYS HE2 H 1 2.645 0.005 1 2 . . . . 143 K HE2 . 16483 1 718 . 1 1 74 74 LYS HE3 H 1 2.579 0.005 1 2 . . . . 143 K HE3 . 16483 1 719 . 1 1 74 74 LYS HG2 H 1 1.368 0.005 1 2 . . . . 143 K HG2 . 16483 1 720 . 1 1 74 74 LYS HG3 H 1 1.234 0.005 1 2 . . . . 143 K HG3 . 16483 1 721 . 1 1 74 74 LYS C C 13 177.384 0.005 1 1 . . . . 143 K C . 16483 1 722 . 1 1 74 74 LYS CA C 13 57.599 0.039 5 1 . . . . 143 K CA . 16483 1 723 . 1 1 74 74 LYS CB C 13 32.611 0.036 5 1 . . . . 143 K CB . 16483 1 724 . 1 1 74 74 LYS CD C 13 29.247 0.047 3 1 . . . . 143 K CD . 16483 1 725 . 1 1 74 74 LYS CE C 13 41.764 0.024 3 1 . . . . 143 K CE . 16483 1 726 . 1 1 74 74 LYS CG C 13 25.069 0.009 3 1 . . . . 143 K CG . 16483 1 727 . 1 1 74 74 LYS N N 15 119.498 0.103 7 1 . . . . 143 K N . 16483 1 728 . 1 1 75 75 LEU H H 1 7.910 0.003 13 1 . . . . 144 L H . 16483 1 729 . 1 1 75 75 LEU HA H 1 4.167 0.005 1 1 . . . . 144 L HA . 16483 1 730 . 1 1 75 75 LEU HB2 H 1 1.659 0.005 1 2 . . . . 144 L HB2 . 16483 1 731 . 1 1 75 75 LEU HB3 H 1 1.627 0.005 1 2 . . . . 144 L HB3 . 16483 1 732 . 1 1 75 75 LEU HD11 H 1 0.793 0.005 1 2 . . . . 144 L MD1 . 16483 1 733 . 1 1 75 75 LEU HD12 H 1 0.793 0.005 1 2 . . . . 144 L MD1 . 16483 1 734 . 1 1 75 75 LEU HD13 H 1 0.793 0.005 1 2 . . . . 144 L MD1 . 16483 1 735 . 1 1 75 75 LEU HD21 H 1 0.817 0.005 1 2 . . . . 144 L MD2 . 16483 1 736 . 1 1 75 75 LEU HD22 H 1 0.817 0.005 1 2 . . . . 144 L MD2 . 16483 1 737 . 1 1 75 75 LEU HD23 H 1 0.817 0.005 1 2 . . . . 144 L MD2 . 16483 1 738 . 1 1 75 75 LEU HG H 1 1.570 0.005 1 1 . . . . 144 L HG . 16483 1 739 . 1 1 75 75 LEU C C 13 177.877 0.005 1 1 . . . . 144 L C . 16483 1 740 . 1 1 75 75 LEU CA C 13 55.900 0.043 5 1 . . . . 144 L CA . 16483 1 741 . 1 1 75 75 LEU CB C 13 42.437 0.133 6 1 . . . . 144 L CB . 16483 1 742 . 1 1 75 75 LEU CD1 C 13 23.595 0.005 1 2 . . . . 144 L CD1 . 16483 1 743 . 1 1 75 75 LEU CD2 C 13 25.010 0.005 1 2 . . . . 144 L CD2 . 16483 1 744 . 1 1 75 75 LEU CG C 13 26.843 0.005 1 1 . . . . 144 L CG . 16483 1 745 . 1 1 75 75 LEU N N 15 120.629 0.049 13 1 . . . . 144 L N . 16483 1 746 . 1 1 76 76 ARG H H 1 8.048 0.002 10 1 . . . . 145 R H . 16483 1 747 . 1 1 76 76 ARG HA H 1 4.189 0.005 1 1 . . . . 145 R HA . 16483 1 748 . 1 1 76 76 ARG HB2 H 1 1.815 0.005 1 2 . . . . 145 R HB2 . 16483 1 749 . 1 1 76 76 ARG HB3 H 1 1.749 0.005 1 2 . . . . 145 R HB3 . 16483 1 750 . 1 1 76 76 ARG HD2 H 1 3.133 0.005 1 2 . . . . 145 R QD . 16483 1 751 . 1 1 76 76 ARG HD3 H 1 3.133 0.005 1 2 . . . . 145 R QD . 16483 1 752 . 1 1 76 76 ARG HG2 H 1 1.649 0.005 1 2 . . . . 145 R HG2 . 16483 1 753 . 1 1 76 76 ARG HG3 H 1 1.558 0.005 1 2 . . . . 145 R HG3 . 16483 1 754 . 1 1 76 76 ARG C C 13 176.604 0.005 1 1 . . . . 145 R C . 16483 1 755 . 1 1 76 76 ARG CA C 13 56.750 0.054 4 1 . . . . 145 R CA . 16483 1 756 . 1 1 76 76 ARG CB C 13 30.542 0.013 5 1 . . . . 145 R CB . 16483 1 757 . 1 1 76 76 ARG CD C 13 43.497 0.026 2 1 . . . . 145 R CD . 16483 1 758 . 1 1 76 76 ARG CG C 13 27.395 0.027 3 1 . . . . 145 R CG . 16483 1 759 . 1 1 76 76 ARG N N 15 119.612 0.052 10 1 . . . . 145 R N . 16483 1 760 . 1 1 77 77 LYS H H 1 8.013 0.007 10 1 . . . . 146 K H . 16483 1 761 . 1 1 77 77 LYS HA H 1 4.185 0.005 1 1 . . . . 146 K HA . 16483 1 762 . 1 1 77 77 LYS HB2 H 1 1.723 0.005 1 2 . . . . 146 K HB2 . 16483 1 763 . 1 1 77 77 LYS HB3 H 1 1.672 0.005 1 2 . . . . 146 K HB3 . 16483 1 764 . 1 1 77 77 LYS HD2 H 1 1.485 0.005 1 2 . . . . 146 K HD2 . 16483 1 765 . 1 1 77 77 LYS HD3 H 1 1.423 0.005 1 2 . . . . 146 K HD3 . 16483 1 766 . 1 1 77 77 LYS HE2 H 1 2.585 0.005 1 2 . . . . 146 K HE2 . 16483 1 767 . 1 1 77 77 LYS HE3 H 1 2.494 0.005 1 2 . . . . 146 K HE3 . 16483 1 768 . 1 1 77 77 LYS HG2 H 1 1.350 0.005 1 2 . . . . 146 K HG2 . 16483 1 769 . 1 1 77 77 LYS HG3 H 1 1.226 0.005 1 2 . . . . 146 K HG3 . 16483 1 770 . 1 1 77 77 LYS C C 13 176.412 0.005 1 1 . . . . 146 K C . 16483 1 771 . 1 1 77 77 LYS CA C 13 56.786 0.043 4 1 . . . . 146 K CA . 16483 1 772 . 1 1 77 77 LYS CB C 13 32.986 0.021 6 1 . . . . 146 K CB . 16483 1 773 . 1 1 77 77 LYS CD C 13 29.157 0.049 3 1 . . . . 146 K CD . 16483 1 774 . 1 1 77 77 LYS CE C 13 41.560 0.072 3 1 . . . . 146 K CE . 16483 1 775 . 1 1 77 77 LYS CG C 13 24.934 0.014 3 1 . . . . 146 K CG . 16483 1 776 . 1 1 77 77 LYS N N 15 120.621 0.038 10 1 . . . . 146 K N . 16483 1 777 . 1 1 78 78 ARG H H 1 8.109 0.004 12 1 . . . . 147 R H . 16483 1 778 . 1 1 78 78 ARG HA H 1 4.279 0.005 1 1 . . . . 147 R HA . 16483 1 779 . 1 1 78 78 ARG HB2 H 1 1.830 0.005 1 2 . . . . 147 R HB2 . 16483 1 780 . 1 1 78 78 ARG HB3 H 1 1.736 0.005 1 2 . . . . 147 R HB3 . 16483 1 781 . 1 1 78 78 ARG HD2 H 1 3.138 0.005 1 2 . . . . 147 R QD . 16483 1 782 . 1 1 78 78 ARG HD3 H 1 3.138 0.005 1 2 . . . . 147 R QD . 16483 1 783 . 1 1 78 78 ARG HG2 H 1 1.570 0.005 1 2 . . . . 147 R QG . 16483 1 784 . 1 1 78 78 ARG HG3 H 1 1.570 0.005 1 2 . . . . 147 R QG . 16483 1 785 . 1 1 78 78 ARG C C 13 175.919 0.005 1 1 . . . . 147 R C . 16483 1 786 . 1 1 78 78 ARG CA C 13 56.282 0.040 5 1 . . . . 147 R CA . 16483 1 787 . 1 1 78 78 ARG CB C 13 30.826 0.035 6 1 . . . . 147 R CB . 16483 1 788 . 1 1 78 78 ARG CD C 13 43.493 0.030 2 1 . . . . 147 R CD . 16483 1 789 . 1 1 78 78 ARG CG C 13 27.217 0.019 2 1 . . . . 147 R CG . 16483 1 790 . 1 1 78 78 ARG N N 15 120.554 0.031 12 1 . . . . 147 R N . 16483 1 791 . 1 1 79 79 LEU H H 1 8.206 0.003 12 1 . . . . 148 L H . 16483 1 792 . 1 1 79 79 LEU HA H 1 4.327 0.005 1 1 . . . . 148 L HA . 16483 1 793 . 1 1 79 79 LEU HB2 H 1 1.591 0.005 1 2 . . . . 148 L QB . 16483 1 794 . 1 1 79 79 LEU HB3 H 1 1.591 0.005 1 2 . . . . 148 L QB . 16483 1 795 . 1 1 79 79 LEU HD11 H 1 0.811 0.005 1 2 . . . . 148 L MD1 . 16483 1 796 . 1 1 79 79 LEU HD12 H 1 0.811 0.005 1 2 . . . . 148 L MD1 . 16483 1 797 . 1 1 79 79 LEU HD13 H 1 0.811 0.005 1 2 . . . . 148 L MD1 . 16483 1 798 . 1 1 79 79 LEU HD21 H 1 0.866 0.005 1 2 . . . . 148 L MD2 . 16483 1 799 . 1 1 79 79 LEU HD22 H 1 0.866 0.005 1 2 . . . . 148 L MD2 . 16483 1 800 . 1 1 79 79 LEU HD23 H 1 0.866 0.005 1 2 . . . . 148 L MD2 . 16483 1 801 . 1 1 79 79 LEU HG H 1 1.539 0.005 1 1 . . . . 148 L HG . 16483 1 802 . 1 1 79 79 LEU C C 13 176.069 0.005 1 1 . . . . 148 L C . 16483 1 803 . 1 1 79 79 LEU CA C 13 55.193 0.008 5 1 . . . . 148 L CA . 16483 1 804 . 1 1 79 79 LEU CB C 13 42.287 0.028 5 1 . . . . 148 L CB . 16483 1 805 . 1 1 79 79 LEU CD1 C 13 23.419 0.023 2 2 . . . . 148 L CD1 . 16483 1 806 . 1 1 79 79 LEU CD2 C 13 25.159 0.004 2 2 . . . . 148 L CD2 . 16483 1 807 . 1 1 79 79 LEU CG C 13 26.840 0.069 2 1 . . . . 148 L CG . 16483 1 808 . 1 1 79 79 LEU N N 15 122.906 0.026 12 1 . . . . 148 L N . 16483 1 809 . 1 1 80 80 LEU H H 1 7.676 0.002 13 1 . . . . 149 L H . 16483 1 810 . 1 1 80 80 LEU HA H 1 4.132 0.005 1 1 . . . . 149 L HA . 16483 1 811 . 1 1 80 80 LEU HB2 H 1 1.537 0.005 1 2 . . . . 149 L QB . 16483 1 812 . 1 1 80 80 LEU HB3 H 1 1.537 0.005 1 2 . . . . 149 L QB . 16483 1 813 . 1 1 80 80 LEU HD11 H 1 0.806 0.005 1 2 . . . . 149 L MD1 . 16483 1 814 . 1 1 80 80 LEU HD12 H 1 0.806 0.005 1 2 . . . . 149 L MD1 . 16483 1 815 . 1 1 80 80 LEU HD13 H 1 0.806 0.005 1 2 . . . . 149 L MD1 . 16483 1 816 . 1 1 80 80 LEU HD21 H 1 0.849 0.005 1 2 . . . . 149 L MD2 . 16483 1 817 . 1 1 80 80 LEU HD22 H 1 0.849 0.005 1 2 . . . . 149 L MD2 . 16483 1 818 . 1 1 80 80 LEU HD23 H 1 0.849 0.005 1 2 . . . . 149 L MD2 . 16483 1 819 . 1 1 80 80 LEU HG H 1 1.545 0.005 1 1 . . . . 149 L HG . 16483 1 820 . 1 1 80 80 LEU CA C 13 56.679 0.015 2 1 . . . . 149 L CA . 16483 1 821 . 1 1 80 80 LEU CB C 13 43.523 0.010 2 1 . . . . 149 L CB . 16483 1 822 . 1 1 80 80 LEU CD1 C 13 23.802 0.005 1 2 . . . . 149 L CD1 . 16483 1 823 . 1 1 80 80 LEU CD2 C 13 25.308 0.005 1 2 . . . . 149 L CD2 . 16483 1 824 . 1 1 80 80 LEU CG C 13 27.257 0.005 1 1 . . . . 149 L CG . 16483 1 825 . 1 1 80 80 LEU N N 15 127.363 0.013 13 1 . . . . 149 L N . 16483 1 stop_ save_ ################################### # 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_2 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_2 _Assigned_chem_shift_list.Entry_ID 16483 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Sample_condition_list_ID 2 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_2 _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 'These chemical shifts are for isolated apoE130-149 peptide with extra GSY at N terminus' _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 10 '2D 1H-15N HSQC' . . . 16483 2 11 '2D 1H-13C HSQC' . . . 16483 2 12 '3D CBCA(CO)NH' . . . 16483 2 13 '3D HNCO' . . . 16483 2 14 '3D HCCH-COSY' . . . 16483 2 15 '2D 1H-15N HSQC' . . . 16483 2 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 . 2 2 1 1 GLY HA2 H 1 3.756 0.005 . 2 . . . . 127 G QA . 16483 2 2 . 2 2 1 1 GLY HA3 H 1 3.756 0.005 . 2 . . . . 127 G QA . 16483 2 3 . 2 2 1 1 GLY CA C 13 44.166 0.005 . 1 . . . . 127 G CA . 16483 2 4 . 2 2 2 2 SER HA H 1 4.502 0.002 . 1 . . . . 128 S HA . 16483 2 5 . 2 2 2 2 SER HB2 H 1 3.883 0.005 . 2 . . . . 128 S HB2 . 16483 2 6 . 2 2 2 2 SER HB3 H 1 3.836 0.002 . 2 . . . . 128 S HB3 . 16483 2 7 . 2 2 2 2 SER CA C 13 58.148 0.019 . 1 . . . . 128 S CA . 16483 2 8 . 2 2 2 2 SER CB C 13 64.047 0.009 . 1 . . . . 128 S CB . 16483 2 9 . 2 2 3 3 TYR HA H 1 4.595 0.005 . 1 . . . . 129 Y HA . 16483 2 10 . 2 2 3 3 TYR HB2 H 1 3.067 0.005 . 2 . . . . 129 Y QB . 16483 2 11 . 2 2 3 3 TYR HB3 H 1 3.067 0.005 . 2 . . . . 129 Y QB . 16483 2 12 . 2 2 3 3 TYR HD1 H 1 7.128 0.005 . 3 . . . . 129 Y QD . 16483 2 13 . 2 2 3 3 TYR HD2 H 1 7.128 0.005 . 3 . . . . 129 Y QD . 16483 2 14 . 2 2 3 3 TYR HE1 H 1 6.819 0.005 . 3 . . . . 129 Y QE . 16483 2 15 . 2 2 3 3 TYR HE2 H 1 6.819 0.005 . 3 . . . . 129 Y QE . 16483 2 16 . 2 2 3 3 TYR C C 13 176.445 0.014 . 1 . . . . 129 Y C . 16483 2 17 . 2 2 3 3 TYR CA C 13 58.921 0.016 . 1 . . . . 129 Y CA . 16483 2 18 . 2 2 3 3 TYR CB C 13 38.682 0.085 . 1 . . . . 129 Y CB . 16483 2 19 . 2 2 3 3 TYR CD1 C 13 133.261 0.020 . 3 . . . . 129 Y CD1 . 16483 2 20 . 2 2 3 3 TYR CE1 C 13 118.266 0.020 . 3 . . . . 129 Y CE1 . 16483 2 21 . 2 2 4 4 THR H H 1 7.933 0.002 . 1 . . . . 130 T H . 16483 2 22 . 2 2 4 4 THR HA H 1 4.129 0.002 . 1 . . . . 130 T HA . 16483 2 23 . 2 2 4 4 THR HB H 1 4.199 0.001 . 1 . . . . 130 T HB . 16483 2 24 . 2 2 4 4 THR HG21 H 1 1.200 0.005 . 1 . . . . 130 T MG . 16483 2 25 . 2 2 4 4 THR HG22 H 1 1.200 0.005 . 1 . . . . 130 T MG . 16483 2 26 . 2 2 4 4 THR HG23 H 1 1.200 0.005 . 1 . . . . 130 T MG . 16483 2 27 . 2 2 4 4 THR C C 13 175.127 0.004 . 1 . . . . 130 T C . 16483 2 28 . 2 2 4 4 THR CA C 13 62.967 0.018 . 1 . . . . 130 T CA . 16483 2 29 . 2 2 4 4 THR CB C 13 69.604 0.034 . 1 . . . . 130 T CB . 16483 2 30 . 2 2 4 4 THR CG2 C 13 21.807 0.023 . 1 . . . . 130 T CG2 . 16483 2 31 . 2 2 4 4 THR N N 15 114.360 0.005 . 1 . . . . 130 T N . 16483 2 32 . 2 2 5 5 GLU H H 1 8.191 0.005 . 1 . . . . 131 E H . 16483 2 33 . 2 2 5 5 GLU HA H 1 4.173 0.005 . 1 . . . . 131 E HA . 16483 2 34 . 2 2 5 5 GLU HB2 H 1 2.025 0.005 . 2 . . . . 131 E QB . 16483 2 35 . 2 2 5 5 GLU HB3 H 1 2.025 0.005 . 2 . . . . 131 E QB . 16483 2 36 . 2 2 5 5 GLU HG2 H 1 2.282 0.005 . 2 . . . . 131 E QG . 16483 2 37 . 2 2 5 5 GLU HG3 H 1 2.282 0.005 . 2 . . . . 131 E QG . 16483 2 38 . 2 2 5 5 GLU C C 13 177.254 0.002 . 1 . . . . 131 E C . 16483 2 39 . 2 2 5 5 GLU CA C 13 57.780 0.017 . 1 . . . . 131 E CA . 16483 2 40 . 2 2 5 5 GLU CB C 13 29.937 0.023 . 1 . . . . 131 E CB . 16483 2 41 . 2 2 5 5 GLU CG C 13 36.236 0.028 . 1 . . . . 131 E CG . 16483 2 42 . 2 2 5 5 GLU N N 15 122.429 0.007 . 1 . . . . 131 E N . 16483 2 43 . 2 2 6 6 GLU H H 1 8.305 0.005 . 1 . . . . 132 E H . 16483 2 44 . 2 2 6 6 GLU HA H 1 4.123 0.005 . 1 . . . . 132 E HA . 16483 2 45 . 2 2 6 6 GLU HB2 H 1 2.004 0.005 . 2 . . . . 132 E QB . 16483 2 46 . 2 2 6 6 GLU HB3 H 1 2.004 0.005 . 2 . . . . 132 E QB . 16483 2 47 . 2 2 6 6 GLU HG2 H 1 2.305 0.005 . 2 . . . . 132 E HG2 . 16483 2 48 . 2 2 6 6 GLU HG3 H 1 2.238 0.005 . 2 . . . . 132 E HG3 . 16483 2 49 . 2 2 6 6 GLU C C 13 177.662 0.023 . 1 . . . . 132 E C . 16483 2 50 . 2 2 6 6 GLU CA C 13 57.922 0.023 . 1 . . . . 132 E CA . 16483 2 51 . 2 2 6 6 GLU CB C 13 29.726 0.023 . 1 . . . . 132 E CB . 16483 2 52 . 2 2 6 6 GLU CG C 13 36.393 0.023 . 1 . . . . 132 E CG . 16483 2 53 . 2 2 6 6 GLU N N 15 120.275 0.004 . 1 . . . . 132 E N . 16483 2 54 . 2 2 7 7 LEU H H 1 8.034 0.005 . 1 . . . . 133 L H . 16483 2 55 . 2 2 7 7 LEU HA H 1 4.145 0.005 . 1 . . . . 133 L HA . 16483 2 56 . 2 2 7 7 LEU HB2 H 1 1.599 0.005 . 2 . . . . 133 L QB . 16483 2 57 . 2 2 7 7 LEU HB3 H 1 1.599 0.005 . 2 . . . . 133 L QB . 16483 2 58 . 2 2 7 7 LEU HD11 H 1 0.843 0.005 . 2 . . . . 133 L MD1 . 16483 2 59 . 2 2 7 7 LEU HD12 H 1 0.843 0.005 . 2 . . . . 133 L MD1 . 16483 2 60 . 2 2 7 7 LEU HD13 H 1 0.843 0.005 . 2 . . . . 133 L MD1 . 16483 2 61 . 2 2 7 7 LEU HD21 H 1 0.884 0.005 . 2 . . . . 133 L MD2 . 16483 2 62 . 2 2 7 7 LEU HD22 H 1 0.884 0.005 . 2 . . . . 133 L MD2 . 16483 2 63 . 2 2 7 7 LEU HD23 H 1 0.884 0.005 . 2 . . . . 133 L MD2 . 16483 2 64 . 2 2 7 7 LEU C C 13 178.026 0.026 . 1 . . . . 133 L C . 16483 2 65 . 2 2 7 7 LEU CA C 13 56.600 0.019 . 1 . . . . 133 L CA . 16483 2 66 . 2 2 7 7 LEU CB C 13 42.011 0.010 . 1 . . . . 133 L CB . 16483 2 67 . 2 2 7 7 LEU CD1 C 13 23.869 0.025 . 2 . . . . 133 L CD1 . 16483 2 68 . 2 2 7 7 LEU CD2 C 13 24.615 0.013 . 2 . . . . 133 L CD2 . 16483 2 69 . 2 2 7 7 LEU CG C 13 26.960 0.020 . 1 . . . . 133 L CG . 16483 2 70 . 2 2 7 7 LEU N N 15 121.231 0.022 . 1 . . . . 133 L N . 16483 2 71 . 2 2 8 8 ARG H H 1 8.066 0.005 . 1 . . . . 134 R H . 16483 2 72 . 2 2 8 8 ARG HA H 1 4.129 0.005 . 1 . . . . 134 R HA . 16483 2 73 . 2 2 8 8 ARG HB2 H 1 1.875 0.005 . 2 . . . . 134 R QB . 16483 2 74 . 2 2 8 8 ARG HB3 H 1 1.875 0.005 . 2 . . . . 134 R QB . 16483 2 75 . 2 2 8 8 ARG HD2 H 1 3.184 0.005 . 2 . . . . 134 R QD . 16483 2 76 . 2 2 8 8 ARG HD3 H 1 3.184 0.005 . 2 . . . . 134 R QD . 16483 2 77 . 2 2 8 8 ARG C C 13 177.749 0.022 . 1 . . . . 134 R C . 16483 2 78 . 2 2 8 8 ARG CA C 13 57.940 0.007 . 1 . . . . 134 R CA . 16483 2 79 . 2 2 8 8 ARG CB C 13 30.316 0.041 . 1 . . . . 134 R CB . 16483 2 80 . 2 2 8 8 ARG CD C 13 43.331 0.011 . 1 . . . . 134 R CD . 16483 2 81 . 2 2 8 8 ARG CG C 13 27.376 0.020 . 1 . . . . 134 R CG . 16483 2 82 . 2 2 8 8 ARG N N 15 119.541 0.010 . 1 . . . . 134 R N . 16483 2 83 . 2 2 9 9 VAL H H 1 7.888 0.005 . 1 . . . . 135 V H . 16483 2 84 . 2 2 9 9 VAL HA H 1 3.925 0.005 . 1 . . . . 135 V HA . 16483 2 85 . 2 2 9 9 VAL HB H 1 2.107 0.005 . 1 . . . . 135 V HB . 16483 2 86 . 2 2 9 9 VAL HG11 H 1 0.989 0.005 . 2 . . . . 135 V MG1 . 16483 2 87 . 2 2 9 9 VAL HG12 H 1 0.989 0.005 . 2 . . . . 135 V MG1 . 16483 2 88 . 2 2 9 9 VAL HG13 H 1 0.989 0.005 . 2 . . . . 135 V MG1 . 16483 2 89 . 2 2 9 9 VAL HG21 H 1 0.931 0.005 . 2 . . . . 135 V MG2 . 16483 2 90 . 2 2 9 9 VAL HG22 H 1 0.931 0.005 . 2 . . . . 135 V MG2 . 16483 2 91 . 2 2 9 9 VAL HG23 H 1 0.931 0.005 . 2 . . . . 135 V MG2 . 16483 2 92 . 2 2 9 9 VAL C C 13 177.245 0.023 . 1 . . . . 135 V C . 16483 2 93 . 2 2 9 9 VAL CA C 13 64.025 0.029 . 1 . . . . 135 V CA . 16483 2 94 . 2 2 9 9 VAL CB C 13 32.339 0.038 . 1 . . . . 135 V CB . 16483 2 95 . 2 2 9 9 VAL CG1 C 13 21.441 0.020 . 2 . . . . 135 V CG1 . 16483 2 96 . 2 2 9 9 VAL CG2 C 13 21.153 0.020 . 2 . . . . 135 V CG2 . 16483 2 97 . 2 2 9 9 VAL N N 15 119.007 0.007 . 1 . . . . 135 V N . 16483 2 98 . 2 2 10 10 ARG H H 1 8.135 0.005 . 1 . . . . 136 R H . 16483 2 99 . 2 2 10 10 ARG HA H 1 4.239 0.005 . 1 . . . . 136 R HA . 16483 2 100 . 2 2 10 10 ARG HB2 H 1 1.863 0.005 . 2 . . . . 136 R QB . 16483 2 101 . 2 2 10 10 ARG HB3 H 1 1.863 0.005 . 2 . . . . 136 R QB . 16483 2 102 . 2 2 10 10 ARG HD2 H 1 3.172 0.005 . 2 . . . . 136 R QD . 16483 2 103 . 2 2 10 10 ARG HD3 H 1 3.172 0.005 . 2 . . . . 136 R QD . 16483 2 104 . 2 2 10 10 ARG C C 13 177.527 0.013 . 1 . . . . 136 R C . 16483 2 105 . 2 2 10 10 ARG CA C 13 57.520 0.053 . 1 . . . . 136 R CA . 16483 2 106 . 2 2 10 10 ARG CB C 13 30.548 0.039 . 1 . . . . 136 R CB . 16483 2 107 . 2 2 10 10 ARG CD C 13 43.555 0.023 . 1 . . . . 136 R CD . 16483 2 108 . 2 2 10 10 ARG CG C 13 27.392 0.020 . 1 . . . . 136 R CG . 16483 2 109 . 2 2 10 10 ARG N N 15 122.489 0.005 . 1 . . . . 136 R N . 16483 2 110 . 2 2 11 11 LEU H H 1 8.220 0.005 . 1 . . . . 137 L H . 16483 2 111 . 2 2 11 11 LEU HA H 1 4.267 0.005 . 1 . . . . 137 L HA . 16483 2 112 . 2 2 11 11 LEU HB2 H 1 1.634 0.005 . 2 . . . . 137 L QB . 16483 2 113 . 2 2 11 11 LEU HB3 H 1 1.634 0.005 . 2 . . . . 137 L QB . 16483 2 114 . 2 2 11 11 LEU HD11 H 1 0.851 0.005 . 2 . . . . 137 L MD1 . 16483 2 115 . 2 2 11 11 LEU HD12 H 1 0.851 0.005 . 2 . . . . 137 L MD1 . 16483 2 116 . 2 2 11 11 LEU HD13 H 1 0.851 0.005 . 2 . . . . 137 L MD1 . 16483 2 117 . 2 2 11 11 LEU HD21 H 1 0.893 0.005 . 2 . . . . 137 L MD2 . 16483 2 118 . 2 2 11 11 LEU HD22 H 1 0.893 0.005 . 2 . . . . 137 L MD2 . 16483 2 119 . 2 2 11 11 LEU HD23 H 1 0.893 0.005 . 2 . . . . 137 L MD2 . 16483 2 120 . 2 2 11 11 LEU C C 13 177.886 0.021 . 1 . . . . 137 L C . 16483 2 121 . 2 2 11 11 LEU CA C 13 56.045 0.028 . 1 . . . . 137 L CA . 16483 2 122 . 2 2 11 11 LEU CB C 13 42.197 0.031 . 1 . . . . 137 L CB . 16483 2 123 . 2 2 11 11 LEU CD1 C 13 23.458 0.028 . 2 . . . . 137 L CD1 . 16483 2 124 . 2 2 11 11 LEU CD2 C 13 24.889 0.023 . 2 . . . . 137 L CD2 . 16483 2 125 . 2 2 11 11 LEU CG C 13 26.840 0.020 . 1 . . . . 137 L CG . 16483 2 126 . 2 2 11 11 LEU N N 15 121.382 0.021 . 1 . . . . 137 L N . 16483 2 127 . 2 2 12 12 ALA H H 1 8.101 0.005 . 1 . . . . 138 A H . 16483 2 128 . 2 2 12 12 ALA HA H 1 4.250 0.005 . 1 . . . . 138 A HA . 16483 2 129 . 2 2 12 12 ALA HB1 H 1 1.446 0.005 . 1 . . . . 138 A MB . 16483 2 130 . 2 2 12 12 ALA HB2 H 1 1.446 0.005 . 1 . . . . 138 A MB . 16483 2 131 . 2 2 12 12 ALA HB3 H 1 1.446 0.005 . 1 . . . . 138 A MB . 16483 2 132 . 2 2 12 12 ALA CA C 13 53.698 0.020 . 1 . . . . 138 A CA . 16483 2 133 . 2 2 12 12 ALA CB C 13 18.765 0.020 . 1 . . . . 138 A CB . 16483 2 134 . 2 2 12 12 ALA N N 15 122.649 0.010 . 1 . . . . 138 A N . 16483 2 135 . 2 2 13 13 SER H H 1 8.205 0.006 . 1 . . . . 139 S H . 16483 2 136 . 2 2 13 13 SER HA H 1 4.239 0.005 . 1 . . . . 139 S HA . 16483 2 137 . 2 2 13 13 SER HB2 H 1 3.960 0.005 . 2 . . . . 139 S HB2 . 16483 2 138 . 2 2 13 13 SER HB3 H 1 3.915 0.005 . 2 . . . . 139 S HB3 . 16483 2 139 . 2 2 13 13 SER CA C 13 60.163 0.032 . 1 . . . . 139 S CA . 16483 2 140 . 2 2 13 13 SER CB C 13 63.225 0.027 . 1 . . . . 139 S CB . 16483 2 141 . 2 2 13 13 SER N N 15 113.685 0.028 . 1 . . . . 139 S N . 16483 2 142 . 2 2 14 14 HIS HA H 1 4.519 0.005 . 1 . . . . 140 H HA . 16483 2 143 . 2 2 14 14 HIS HB2 H 1 3.172 0.005 . 2 . . . . 140 H QB . 16483 2 144 . 2 2 14 14 HIS HB3 H 1 3.172 0.005 . 2 . . . . 140 H QB . 16483 2 145 . 2 2 14 14 HIS HD2 H 1 6.946 0.005 . 1 . . . . 140 H HD2 . 16483 2 146 . 2 2 14 14 HIS HE1 H 1 7.732 0.005 . 1 . . . . 140 H HE1 . 16483 2 147 . 2 2 14 14 HIS C C 13 176.407 0.023 . 1 . . . . 140 H C . 16483 2 148 . 2 2 14 14 HIS CA C 13 57.918 0.012 . 1 . . . . 140 H CA . 16483 2 149 . 2 2 14 14 HIS CB C 13 30.749 0.103 . 1 . . . . 140 H CB . 16483 2 150 . 2 2 14 14 HIS CD2 C 13 119.230 0.040 . 1 . . . . 140 H CD2 . 16483 2 151 . 2 2 14 14 HIS CE1 C 13 138.932 0.040 . 1 . . . . 140 H CE1 . 16483 2 152 . 2 2 15 15 LEU H H 1 7.836 0.005 . 1 . . . . 141 L H . 16483 2 153 . 2 2 15 15 LEU HA H 1 4.169 0.005 . 1 . . . . 141 L HA . 16483 2 154 . 2 2 15 15 LEU HB2 H 1 1.691 0.005 . 2 . . . . 141 L HB2 . 16483 2 155 . 2 2 15 15 LEU HB3 H 1 1.532 0.005 . 2 . . . . 141 L HB3 . 16483 2 156 . 2 2 15 15 LEU HD11 H 1 0.840 0.005 . 2 . . . . 141 L MD1 . 16483 2 157 . 2 2 15 15 LEU HD12 H 1 0.840 0.005 . 2 . . . . 141 L MD1 . 16483 2 158 . 2 2 15 15 LEU HD13 H 1 0.840 0.005 . 2 . . . . 141 L MD1 . 16483 2 159 . 2 2 15 15 LEU HD21 H 1 0.901 0.005 . 2 . . . . 141 L MD2 . 16483 2 160 . 2 2 15 15 LEU HD22 H 1 0.901 0.005 . 2 . . . . 141 L MD2 . 16483 2 161 . 2 2 15 15 LEU HD23 H 1 0.901 0.005 . 2 . . . . 141 L MD2 . 16483 2 162 . 2 2 15 15 LEU HG H 1 1.420 0.005 . 1 . . . . 141 L HG . 16483 2 163 . 2 2 15 15 LEU C C 13 178.142 0.023 . 1 . . . . 141 L C . 16483 2 164 . 2 2 15 15 LEU CA C 13 56.064 0.023 . 1 . . . . 141 L CA . 16483 2 165 . 2 2 15 15 LEU CB C 13 41.916 0.031 . 1 . . . . 141 L CB . 16483 2 166 . 2 2 15 15 LEU CD1 C 13 23.117 0.018 . 2 . . . . 141 L CD1 . 16483 2 167 . 2 2 15 15 LEU CD2 C 13 25.160 0.032 . 2 . . . . 141 L CD2 . 16483 2 168 . 2 2 15 15 LEU CG C 13 26.736 0.058 . 1 . . . . 141 L CG . 16483 2 169 . 2 2 15 15 LEU N N 15 119.936 0.005 . 1 . . . . 141 L N . 16483 2 170 . 2 2 16 16 ARG H H 1 7.927 0.005 . 1 . . . . 142 R H . 16483 2 171 . 2 2 16 16 ARG HA H 1 4.178 0.005 . 1 . . . . 142 R HA . 16483 2 172 . 2 2 16 16 ARG HB2 H 1 1.852 0.005 . 2 . . . . 142 R QB . 16483 2 173 . 2 2 16 16 ARG HB3 H 1 1.852 0.005 . 2 . . . . 142 R QB . 16483 2 174 . 2 2 16 16 ARG C C 13 177.026 0.012 . 1 . . . . 142 R C . 16483 2 175 . 2 2 16 16 ARG CA C 13 57.384 0.020 . 1 . . . . 142 R CA . 16483 2 176 . 2 2 16 16 ARG CB C 13 30.504 0.043 . 1 . . . . 142 R CB . 16483 2 177 . 2 2 16 16 ARG CD C 13 43.542 0.020 . 1 . . . . 142 R CD . 16483 2 178 . 2 2 16 16 ARG CG C 13 27.486 0.020 . 1 . . . . 142 R CG . 16483 2 179 . 2 2 16 16 ARG N N 15 119.352 0.004 . 1 . . . . 142 R N . 16483 2 180 . 2 2 17 17 LYS H H 1 7.968 0.005 . 1 . . . . 143 K H . 16483 2 181 . 2 2 17 17 LYS HA H 1 4.217 0.005 . 1 . . . . 143 K HA . 16483 2 182 . 2 2 17 17 LYS HB2 H 1 1.838 0.005 . 2 . . . . 143 K HB2 . 16483 2 183 . 2 2 17 17 LYS HB3 H 1 1.816 0.005 . 2 . . . . 143 K HB3 . 16483 2 184 . 2 2 17 17 LYS HD2 H 1 1.688 0.005 . 2 . . . . 143 K QD . 16483 2 185 . 2 2 17 17 LYS HD3 H 1 1.688 0.005 . 2 . . . . 143 K QD . 16483 2 186 . 2 2 17 17 LYS HE2 H 1 2.995 0.005 . 2 . . . . 143 K QE . 16483 2 187 . 2 2 17 17 LYS HE3 H 1 2.995 0.005 . 2 . . . . 143 K QE . 16483 2 188 . 2 2 17 17 LYS HG2 H 1 1.493 0.005 . 2 . . . . 143 K HG2 . 16483 2 189 . 2 2 17 17 LYS HG3 H 1 1.404 0.005 . 2 . . . . 143 K HG3 . 16483 2 190 . 2 2 17 17 LYS C C 13 177.022 0.026 . 1 . . . . 143 K C . 16483 2 191 . 2 2 17 17 LYS CA C 13 57.108 0.018 . 1 . . . . 143 K CA . 16483 2 192 . 2 2 17 17 LYS CB C 13 32.739 0.008 . 1 . . . . 143 K CB . 16483 2 193 . 2 2 17 17 LYS CD C 13 29.284 0.005 . 1 . . . . 143 K CD . 16483 2 194 . 2 2 17 17 LYS CE C 13 42.203 0.031 . 1 . . . . 143 K CE . 16483 2 195 . 2 2 17 17 LYS CG C 13 25.009 0.014 . 1 . . . . 143 K CG . 16483 2 196 . 2 2 17 17 LYS N N 15 120.082 0.007 . 1 . . . . 143 K N . 16483 2 197 . 2 2 18 18 LEU H H 1 7.953 0.002 . 1 . . . . 144 L H . 16483 2 198 . 2 2 18 18 LEU HA H 1 4.265 0.005 . 1 . . . . 144 L HA . 16483 2 199 . 2 2 18 18 LEU HB2 H 1 1.660 0.005 . 2 . . . . 144 L HB2 . 16483 2 200 . 2 2 18 18 LEU HB3 H 1 1.573 0.005 . 2 . . . . 144 L HB3 . 16483 2 201 . 2 2 18 18 LEU HD11 H 1 0.851 0.005 . 2 . . . . 144 L MD1 . 16483 2 202 . 2 2 18 18 LEU HD12 H 1 0.851 0.005 . 2 . . . . 144 L MD1 . 16483 2 203 . 2 2 18 18 LEU HD13 H 1 0.851 0.005 . 2 . . . . 144 L MD1 . 16483 2 204 . 2 2 18 18 LEU HD21 H 1 0.891 0.005 . 2 . . . . 144 L MD2 . 16483 2 205 . 2 2 18 18 LEU HD22 H 1 0.891 0.005 . 2 . . . . 144 L MD2 . 16483 2 206 . 2 2 18 18 LEU HD23 H 1 0.891 0.005 . 2 . . . . 144 L MD2 . 16483 2 207 . 2 2 18 18 LEU C C 13 177.558 0.019 . 1 . . . . 144 L C . 16483 2 208 . 2 2 18 18 LEU CA C 13 55.577 0.010 . 1 . . . . 144 L CA . 16483 2 209 . 2 2 18 18 LEU CB C 13 42.343 0.014 . 1 . . . . 144 L CB . 16483 2 210 . 2 2 18 18 LEU CD1 C 13 23.468 0.023 . 2 . . . . 144 L CD1 . 16483 2 211 . 2 2 18 18 LEU CD2 C 13 24.952 0.026 . 2 . . . . 144 L CD2 . 16483 2 212 . 2 2 18 18 LEU CG C 13 26.957 0.020 . 1 . . . . 144 L CG . 16483 2 213 . 2 2 18 18 LEU N N 15 121.330 0.004 . 1 . . . . 144 L N . 16483 2 214 . 2 2 19 19 ARG H H 1 8.104 0.003 . 1 . . . . 145 R H . 16483 2 215 . 2 2 19 19 ARG HA H 1 4.275 0.005 . 1 . . . . 145 R HA . 16483 2 216 . 2 2 19 19 ARG HB2 H 1 1.799 0.005 . 2 . . . . 145 R QB . 16483 2 217 . 2 2 19 19 ARG HB3 H 1 1.799 0.005 . 2 . . . . 145 R QB . 16483 2 218 . 2 2 19 19 ARG HD2 H 1 3.212 0.005 . 2 . . . . 145 R QD . 16483 2 219 . 2 2 19 19 ARG HD3 H 1 3.212 0.005 . 2 . . . . 145 R QD . 16483 2 220 . 2 2 19 19 ARG C C 13 176.326 0.020 . 1 . . . . 145 R C . 16483 2 221 . 2 2 19 19 ARG CA C 13 56.388 0.013 . 1 . . . . 145 R CA . 16483 2 222 . 2 2 19 19 ARG CB C 13 30.666 0.018 . 1 . . . . 145 R CB . 16483 2 223 . 2 2 19 19 ARG CD C 13 43.516 0.014 . 1 . . . . 145 R CD . 16483 2 224 . 2 2 19 19 ARG CG C 13 27.247 0.020 . 1 . . . . 145 R CG . 16483 2 225 . 2 2 19 19 ARG N N 15 120.507 0.014 . 1 . . . . 145 R N . 16483 2 226 . 2 2 20 20 LYS H H 1 8.131 0.003 . 1 . . . . 146 K H . 16483 2 227 . 2 2 20 20 LYS HA H 1 4.268 0.005 . 1 . . . . 146 K HA . 16483 2 228 . 2 2 20 20 LYS HB2 H 1 1.825 0.005 . 2 . . . . 146 K HB2 . 16483 2 229 . 2 2 20 20 LYS HB3 H 1 1.765 0.005 . 2 . . . . 146 K HB3 . 16483 2 230 . 2 2 20 20 LYS HD2 H 1 1.687 0.005 . 2 . . . . 146 K QD . 16483 2 231 . 2 2 20 20 LYS HD3 H 1 1.687 0.005 . 2 . . . . 146 K QD . 16483 2 232 . 2 2 20 20 LYS HE2 H 1 2.992 0.005 . 2 . . . . 146 K QE . 16483 2 233 . 2 2 20 20 LYS HE3 H 1 2.992 0.005 . 2 . . . . 146 K QE . 16483 2 234 . 2 2 20 20 LYS HG2 H 1 1.459 0.005 . 2 . . . . 146 K HG2 . 16483 2 235 . 2 2 20 20 LYS HG3 H 1 1.414 0.005 . 2 . . . . 146 K HG3 . 16483 2 236 . 2 2 20 20 LYS C C 13 176.280 0.015 . 1 . . . . 146 K C . 16483 2 237 . 2 2 20 20 LYS CA C 13 56.435 0.047 . 1 . . . . 146 K CA . 16483 2 238 . 2 2 20 20 LYS CB C 13 33.102 0.035 . 1 . . . . 146 K CB . 16483 2 239 . 2 2 20 20 LYS CD C 13 29.118 0.008 . 1 . . . . 146 K CD . 16483 2 240 . 2 2 20 20 LYS CE C 13 42.195 0.025 . 1 . . . . 146 K CE . 16483 2 241 . 2 2 20 20 LYS CG C 13 24.845 0.006 . 1 . . . . 146 K CG . 16483 2 242 . 2 2 20 20 LYS N N 15 121.499 0.009 . 1 . . . . 146 K N . 16483 2 243 . 2 2 21 21 ARG H H 1 8.220 0.003 . 1 . . . . 147 R H . 16483 2 244 . 2 2 21 21 ARG HA H 1 4.315 0.005 . 1 . . . . 147 R HA . 16483 2 245 . 2 2 21 21 ARG HB2 H 1 1.845 0.005 . 2 . . . . 147 R HB2 . 16483 2 246 . 2 2 21 21 ARG HB3 H 1 1.782 0.005 . 2 . . . . 147 R HB3 . 16483 2 247 . 2 2 21 21 ARG HD2 H 1 3.207 0.005 . 2 . . . . 147 R QD . 16483 2 248 . 2 2 21 21 ARG HD3 H 1 3.207 0.005 . 2 . . . . 147 R QD . 16483 2 249 . 2 2 21 21 ARG C C 13 175.855 0.013 . 1 . . . . 147 R C . 16483 2 250 . 2 2 21 21 ARG CA C 13 56.203 0.027 . 1 . . . . 147 R CA . 16483 2 251 . 2 2 21 21 ARG CB C 13 30.917 0.010 . 1 . . . . 147 R CB . 16483 2 252 . 2 2 21 21 ARG CD C 13 43.517 0.014 . 1 . . . . 147 R CD . 16483 2 253 . 2 2 21 21 ARG CG C 13 27.175 0.020 . 1 . . . . 147 R CG . 16483 2 254 . 2 2 21 21 ARG N N 15 121.496 0.038 . 1 . . . . 147 R N . 16483 2 255 . 2 2 22 22 LEU H H 1 8.267 0.002 . 1 . . . . 148 L H . 16483 2 256 . 2 2 22 22 LEU HA H 1 4.364 0.005 . 1 . . . . 148 L HA . 16483 2 257 . 2 2 22 22 LEU HB2 H 1 1.631 0.005 . 2 . . . . 148 L QB . 16483 2 258 . 2 2 22 22 LEU HB3 H 1 1.631 0.005 . 2 . . . . 148 L QB . 16483 2 259 . 2 2 22 22 LEU HD11 H 1 0.861 0.005 . 2 . . . . 148 L MD1 . 16483 2 260 . 2 2 22 22 LEU HD12 H 1 0.861 0.005 . 2 . . . . 148 L MD1 . 16483 2 261 . 2 2 22 22 LEU HD13 H 1 0.861 0.005 . 2 . . . . 148 L MD1 . 16483 2 262 . 2 2 22 22 LEU HD21 H 1 0.928 0.005 . 2 . . . . 148 L MD2 . 16483 2 263 . 2 2 22 22 LEU HD22 H 1 0.928 0.005 . 2 . . . . 148 L MD2 . 16483 2 264 . 2 2 22 22 LEU HD23 H 1 0.928 0.005 . 2 . . . . 148 L MD2 . 16483 2 265 . 2 2 22 22 LEU C C 13 176.086 0.011 . 1 . . . . 148 L C . 16483 2 266 . 2 2 22 22 LEU CA C 13 55.224 0.025 . 1 . . . . 148 L CA . 16483 2 267 . 2 2 22 22 LEU CB C 13 42.226 0.031 . 1 . . . . 148 L CB . 16483 2 268 . 2 2 22 22 LEU CD1 C 13 23.431 0.015 . 2 . . . . 148 L CD1 . 16483 2 269 . 2 2 22 22 LEU CD2 C 13 25.081 0.014 . 2 . . . . 148 L CD2 . 16483 2 270 . 2 2 22 22 LEU CG C 13 26.923 0.020 . 1 . . . . 148 L CG . 16483 2 271 . 2 2 22 22 LEU N N 15 123.638 0.006 . 1 . . . . 148 L N . 16483 2 272 . 2 2 23 23 LEU H H 1 7.697 0.002 . 1 . . . . 149 L H . 16483 2 273 . 2 2 23 23 LEU HA H 1 4.180 0.005 . 1 . . . . 149 L HA . 16483 2 274 . 2 2 23 23 LEU HB2 H 1 1.577 0.005 . 2 . . . . 149 L QB . 16483 2 275 . 2 2 23 23 LEU HB3 H 1 1.577 0.005 . 2 . . . . 149 L QB . 16483 2 276 . 2 2 23 23 LEU HD11 H 1 0.856 0.005 . 2 . . . . 149 L MD1 . 16483 2 277 . 2 2 23 23 LEU HD12 H 1 0.856 0.005 . 2 . . . . 149 L MD1 . 16483 2 278 . 2 2 23 23 LEU HD13 H 1 0.856 0.005 . 2 . . . . 149 L MD1 . 16483 2 279 . 2 2 23 23 LEU HD21 H 1 0.900 0.005 . 2 . . . . 149 L MD2 . 16483 2 280 . 2 2 23 23 LEU HD22 H 1 0.900 0.005 . 2 . . . . 149 L MD2 . 16483 2 281 . 2 2 23 23 LEU HD23 H 1 0.900 0.005 . 2 . . . . 149 L MD2 . 16483 2 282 . 2 2 23 23 LEU CA C 13 56.685 0.012 . 1 . . . . 149 L CA . 16483 2 283 . 2 2 23 23 LEU CB C 13 43.512 0.024 . 1 . . . . 149 L CB . 16483 2 284 . 2 2 23 23 LEU CD1 C 13 23.746 0.020 . 2 . . . . 149 L CD1 . 16483 2 285 . 2 2 23 23 LEU CD2 C 13 25.234 0.020 . 2 . . . . 149 L CD2 . 16483 2 286 . 2 2 23 23 LEU CG C 13 27.282 0.020 . 1 . . . . 149 L CG . 16483 2 287 . 2 2 23 23 LEU N N 15 127.626 0.007 . 1 . . . . 149 L N . 16483 2 stop_ save_