################################### # 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 16189 _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' . . . 16189 1 2 '2D 1H-13C HSQC' . . . 16189 1 3 '3D CBCA(CO)NH' . . . 16189 1 4 '3D C(CO)NH' . . . 16189 1 5 '3D HNCO' . . . 16189 1 6 '3D HNCA' . . . 16189 1 7 '3D HBHA(CO)NH' . . . 16189 1 8 '3D H(CCO)NH' . . . 16189 1 9 '3D HCCH-TOCSY' . . . 16189 1 10 '3D 1H-15N NOESY' . . . 16189 1 11 '3D 1H-13C NOESY' . . . 16189 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 20 20 MET H H 1 8.422 0.000 . 1 . . . . 20 MET H . 16189 1 2 . 1 1 20 20 MET HA H 1 4.496 0.000 . 1 . . . . 20 MET HA . 16189 1 3 . 1 1 20 20 MET HB2 H 1 2.129 0.000 . 2 . . . . 20 MET HB2 . 16189 1 4 . 1 1 20 20 MET HB3 H 1 2.010 0.000 . 2 . . . . 20 MET HB3 . 16189 1 5 . 1 1 20 20 MET HG2 H 1 2.539 0.000 . 2 . . . . 20 MET HG2 . 16189 1 6 . 1 1 20 20 MET HG3 H 1 2.625 0.000 . 2 . . . . 20 MET HG3 . 16189 1 7 . 1 1 20 20 MET C C 13 175.986 0.000 . 1 . . . . 20 MET C . 16189 1 8 . 1 1 20 20 MET CA C 13 55.524 0.000 . 1 . . . . 20 MET CA . 16189 1 9 . 1 1 20 20 MET CB C 13 32.766 0.000 . 1 . . . . 20 MET CB . 16189 1 10 . 1 1 20 20 MET CG C 13 32.026 0.000 . 1 . . . . 20 MET CG . 16189 1 11 . 1 1 20 20 MET N N 15 122.258 0.000 . 1 . . . . 20 MET N . 16189 1 12 . 1 1 21 21 ALA H H 1 8.230 0.000 . 1 . . . . 21 ALA H . 16189 1 13 . 1 1 21 21 ALA HA H 1 4.278 0.000 . 1 . . . . 21 ALA HA . 16189 1 14 . 1 1 21 21 ALA HB1 H 1 1.378 0.000 . 1 . . . . 21 ALA HB . 16189 1 15 . 1 1 21 21 ALA HB2 H 1 1.378 0.000 . 1 . . . . 21 ALA HB . 16189 1 16 . 1 1 21 21 ALA HB3 H 1 1.378 0.000 . 1 . . . . 21 ALA HB . 16189 1 17 . 1 1 21 21 ALA CA C 13 52.479 0.000 . 1 . . . . 21 ALA CA . 16189 1 18 . 1 1 21 21 ALA CB C 13 19.242 0.000 . 1 . . . . 21 ALA CB . 16189 1 19 . 1 1 21 21 ALA N N 15 125.031 0.000 . 1 . . . . 21 ALA N . 16189 1 20 . 1 1 22 22 ALA H H 1 8.219 0.000 . 1 . . . . 22 ALA H . 16189 1 21 . 1 1 22 22 ALA HA H 1 4.273 0.000 . 1 . . . . 22 ALA HA . 16189 1 22 . 1 1 22 22 ALA HB1 H 1 1.370 0.000 . 1 . . . . 22 ALA HB . 16189 1 23 . 1 1 22 22 ALA HB2 H 1 1.370 0.000 . 1 . . . . 22 ALA HB . 16189 1 24 . 1 1 22 22 ALA HB3 H 1 1.370 0.000 . 1 . . . . 22 ALA HB . 16189 1 25 . 1 1 22 22 ALA C C 13 177.258 0.000 . 1 . . . . 22 ALA C . 16189 1 26 . 1 1 22 22 ALA CA C 13 52.127 0.000 . 1 . . . . 22 ALA CA . 16189 1 27 . 1 1 22 22 ALA CB C 13 19.418 0.000 . 1 . . . . 22 ALA CB . 16189 1 28 . 1 1 22 22 ALA N N 15 123.203 0.000 . 1 . . . . 22 ALA N . 16189 1 29 . 1 1 23 23 ALA H H 1 8.213 0.000 . 1 . . . . 23 ALA H . 16189 1 30 . 1 1 23 23 ALA HA H 1 4.294 0.000 . 1 . . . . 23 ALA HA . 16189 1 31 . 1 1 23 23 ALA HB1 H 1 1.321 0.000 . 1 . . . . 23 ALA HB . 16189 1 32 . 1 1 23 23 ALA HB2 H 1 1.321 0.000 . 1 . . . . 23 ALA HB . 16189 1 33 . 1 1 23 23 ALA HB3 H 1 1.321 0.000 . 1 . . . . 23 ALA HB . 16189 1 34 . 1 1 23 23 ALA C C 13 177.154 0.000 . 1 . . . . 23 ALA C . 16189 1 35 . 1 1 23 23 ALA CA C 13 52.086 0.000 . 1 . . . . 23 ALA CA . 16189 1 36 . 1 1 23 23 ALA CB C 13 19.252 0.000 . 1 . . . . 23 ALA CB . 16189 1 37 . 1 1 23 23 ALA N N 15 123.720 0.000 . 1 . . . . 23 ALA N . 16189 1 38 . 1 1 24 24 VAL H H 1 7.884 0.000 . 1 . . . . 24 VAL H . 16189 1 39 . 1 1 24 24 VAL HA H 1 3.984 0.000 . 1 . . . . 24 VAL HA . 16189 1 40 . 1 1 24 24 VAL HB H 1 1.752 0.000 . 1 . . . . 24 VAL HB . 16189 1 41 . 1 1 24 24 VAL HG11 H 1 0.845 0.000 . 2 . . . . 24 VAL HG1 . 16189 1 42 . 1 1 24 24 VAL HG12 H 1 0.845 0.000 . 2 . . . . 24 VAL HG1 . 16189 1 43 . 1 1 24 24 VAL HG13 H 1 0.845 0.000 . 2 . . . . 24 VAL HG1 . 16189 1 44 . 1 1 24 24 VAL HG21 H 1 0.863 0.000 . 2 . . . . 24 VAL HG2 . 16189 1 45 . 1 1 24 24 VAL HG22 H 1 0.863 0.000 . 2 . . . . 24 VAL HG2 . 16189 1 46 . 1 1 24 24 VAL HG23 H 1 0.863 0.000 . 2 . . . . 24 VAL HG2 . 16189 1 47 . 1 1 24 24 VAL CA C 13 59.225 0.000 . 1 . . . . 24 VAL CA . 16189 1 48 . 1 1 24 24 VAL CB C 13 32.364 0.000 . 1 . . . . 24 VAL CB . 16189 1 49 . 1 1 24 24 VAL CG1 C 13 21.156 0.000 . 1 . . . . 24 VAL CG1 . 16189 1 50 . 1 1 24 24 VAL CG2 C 13 20.253 0.000 . 1 . . . . 24 VAL CG2 . 16189 1 51 . 1 1 24 24 VAL N N 15 120.285 0.000 . 1 . . . . 24 VAL N . 16189 1 52 . 1 1 25 25 PRO HA H 1 4.257 0.000 . 1 . . . . 25 PRO HA . 16189 1 53 . 1 1 25 25 PRO HB2 H 1 1.663 0.000 . 2 . . . . 25 PRO HB2 . 16189 1 54 . 1 1 25 25 PRO HB3 H 1 1.554 0.000 . 2 . . . . 25 PRO HB3 . 16189 1 55 . 1 1 25 25 PRO HD2 H 1 3.202 0.000 . 2 . . . . 25 PRO HD2 . 16189 1 56 . 1 1 25 25 PRO HD3 H 1 2.222 0.000 . 2 . . . . 25 PRO HD3 . 16189 1 57 . 1 1 25 25 PRO HG2 H 1 1.359 0.000 . 2 . . . . 25 PRO HG2 . 16189 1 58 . 1 1 25 25 PRO HG3 H 1 1.359 0.000 . 2 . . . . 25 PRO HG3 . 16189 1 59 . 1 1 25 25 PRO C C 13 175.315 0.000 . 1 . . . . 25 PRO C . 16189 1 60 . 1 1 25 25 PRO CA C 13 62.433 0.000 . 1 . . . . 25 PRO CA . 16189 1 61 . 1 1 25 25 PRO CB C 13 31.675 0.000 . 1 . . . . 25 PRO CB . 16189 1 62 . 1 1 25 25 PRO CD C 13 49.732 0.000 . 1 . . . . 25 PRO CD . 16189 1 63 . 1 1 25 25 PRO CG C 13 27.264 0.000 . 1 . . . . 25 PRO CG . 16189 1 64 . 1 1 26 26 GLN H H 1 8.214 0.000 . 1 . . . . 26 GLN H . 16189 1 65 . 1 1 26 26 GLN HA H 1 4.209 0.000 . 1 . . . . 26 GLN HA . 16189 1 66 . 1 1 26 26 GLN HB2 H 1 1.873 0.000 . 2 . . . . 26 GLN HB2 . 16189 1 67 . 1 1 26 26 GLN HB3 H 1 1.798 0.000 . 2 . . . . 26 GLN HB3 . 16189 1 68 . 1 1 26 26 GLN HG2 H 1 2.286 0.000 . 2 . . . . 26 GLN HG2 . 16189 1 69 . 1 1 26 26 GLN HG3 H 1 2.241 0.000 . 2 . . . . 26 GLN HG3 . 16189 1 70 . 1 1 26 26 GLN C C 13 175.786 0.000 . 1 . . . . 26 GLN C . 16189 1 71 . 1 1 26 26 GLN CA C 13 54.709 0.000 . 1 . . . . 26 GLN CA . 16189 1 72 . 1 1 26 26 GLN CB C 13 30.040 0.000 . 1 . . . . 26 GLN CB . 16189 1 73 . 1 1 26 26 GLN CG C 13 33.793 0.000 . 1 . . . . 26 GLN CG . 16189 1 74 . 1 1 26 26 GLN N N 15 118.467 0.000 . 1 . . . . 26 GLN N . 16189 1 75 . 1 1 27 27 ARG H H 1 8.384 0.000 . 1 . . . . 27 ARG H . 16189 1 76 . 1 1 27 27 ARG HA H 1 3.521 0.000 . 1 . . . . 27 ARG HA . 16189 1 77 . 1 1 27 27 ARG HB2 H 1 1.327 0.000 . 2 . . . . 27 ARG HB2 . 16189 1 78 . 1 1 27 27 ARG HB3 H 1 0.587 0.000 . 2 . . . . 27 ARG HB3 . 16189 1 79 . 1 1 27 27 ARG HD2 H 1 2.854 0.000 . 2 . . . . 27 ARG HD2 . 16189 1 80 . 1 1 27 27 ARG HD3 H 1 2.664 0.000 . 2 . . . . 27 ARG HD3 . 16189 1 81 . 1 1 27 27 ARG HG2 H 1 0.897 0.000 . 2 . . . . 27 ARG HG2 . 16189 1 82 . 1 1 27 27 ARG HG3 H 1 0.870 0.000 . 2 . . . . 27 ARG HG3 . 16189 1 83 . 1 1 27 27 ARG C C 13 175.469 0.000 . 1 . . . . 27 ARG C . 16189 1 84 . 1 1 27 27 ARG CA C 13 55.862 0.000 . 1 . . . . 27 ARG CA . 16189 1 85 . 1 1 27 27 ARG CB C 13 28.917 0.000 . 1 . . . . 27 ARG CB . 16189 1 86 . 1 1 27 27 ARG CD C 13 44.046 0.000 . 1 . . . . 27 ARG CD . 16189 1 87 . 1 1 27 27 ARG CG C 13 27.496 0.000 . 1 . . . . 27 ARG CG . 16189 1 88 . 1 1 27 27 ARG N N 15 124.803 0.000 . 1 . . . . 27 ARG N . 16189 1 89 . 1 1 28 28 ALA H H 1 7.270 0.000 . 1 . . . . 28 ALA H . 16189 1 90 . 1 1 28 28 ALA HA H 1 3.969 0.000 . 1 . . . . 28 ALA HA . 16189 1 91 . 1 1 28 28 ALA HB1 H 1 0.466 0.000 . 1 . . . . 28 ALA HB . 16189 1 92 . 1 1 28 28 ALA HB2 H 1 0.466 0.000 . 1 . . . . 28 ALA HB . 16189 1 93 . 1 1 28 28 ALA HB3 H 1 0.466 0.000 . 1 . . . . 28 ALA HB . 16189 1 94 . 1 1 28 28 ALA C C 13 177.157 0.000 . 1 . . . . 28 ALA C . 16189 1 95 . 1 1 28 28 ALA CA C 13 52.957 0.000 . 1 . . . . 28 ALA CA . 16189 1 96 . 1 1 28 28 ALA CB C 13 19.253 0.000 . 1 . . . . 28 ALA CB . 16189 1 97 . 1 1 28 28 ALA N N 15 128.250 0.000 . 1 . . . . 28 ALA N . 16189 1 98 . 1 1 29 29 TRP H H 1 7.142 0.000 . 1 . . . . 29 TRP H . 16189 1 99 . 1 1 29 29 TRP HA H 1 5.481 0.000 . 1 . . . . 29 TRP HA . 16189 1 100 . 1 1 29 29 TRP HB2 H 1 2.742 0.000 . 2 . . . . 29 TRP HB2 . 16189 1 101 . 1 1 29 29 TRP HB3 H 1 2.604 0.000 . 2 . . . . 29 TRP HB3 . 16189 1 102 . 1 1 29 29 TRP HD1 H 1 6.977 0.000 . 1 . . . . 29 TRP HD1 . 16189 1 103 . 1 1 29 29 TRP HE1 H 1 10.136 0.000 . 1 . . . . 29 TRP HE1 . 16189 1 104 . 1 1 29 29 TRP HE3 H 1 6.876 0.000 . 1 . . . . 29 TRP HE3 . 16189 1 105 . 1 1 29 29 TRP HH2 H 1 7.047 0.000 . 1 . . . . 29 TRP HH2 . 16189 1 106 . 1 1 29 29 TRP HZ2 H 1 7.435 0.000 . 1 . . . . 29 TRP HZ2 . 16189 1 107 . 1 1 29 29 TRP HZ3 H 1 6.617 0.000 . 1 . . . . 29 TRP HZ3 . 16189 1 108 . 1 1 29 29 TRP C C 13 177.055 0.000 . 1 . . . . 29 TRP C . 16189 1 109 . 1 1 29 29 TRP CA C 13 55.437 0.000 . 1 . . . . 29 TRP CA . 16189 1 110 . 1 1 29 29 TRP CB C 13 31.065 0.000 . 1 . . . . 29 TRP CB . 16189 1 111 . 1 1 29 29 TRP CD1 C 13 125.581 0.000 . 1 . . . . 29 TRP CD1 . 16189 1 112 . 1 1 29 29 TRP CE3 C 13 121.173 0.000 . 1 . . . . 29 TRP CE3 . 16189 1 113 . 1 1 29 29 TRP CH2 C 13 122.803 0.000 . 1 . . . . 29 TRP CH2 . 16189 1 114 . 1 1 29 29 TRP CZ2 C 13 115.036 0.000 . 1 . . . . 29 TRP CZ2 . 16189 1 115 . 1 1 29 29 TRP CZ3 C 13 119.642 0.000 . 1 . . . . 29 TRP CZ3 . 16189 1 116 . 1 1 29 29 TRP N N 15 114.866 0.000 . 1 . . . . 29 TRP N . 16189 1 117 . 1 1 29 29 TRP NE1 N 15 130.023 0.000 . 1 . . . . 29 TRP NE1 . 16189 1 118 . 1 1 30 30 THR H H 1 8.856 0.000 . 1 . . . . 30 THR H . 16189 1 119 . 1 1 30 30 THR HA H 1 4.537 0.000 . 1 . . . . 30 THR HA . 16189 1 120 . 1 1 30 30 THR HB H 1 4.803 0.000 . 1 . . . . 30 THR HB . 16189 1 121 . 1 1 30 30 THR HG21 H 1 1.345 0.000 . 1 . . . . 30 THR HG2 . 16189 1 122 . 1 1 30 30 THR HG22 H 1 1.345 0.000 . 1 . . . . 30 THR HG2 . 16189 1 123 . 1 1 30 30 THR HG23 H 1 1.345 0.000 . 1 . . . . 30 THR HG2 . 16189 1 124 . 1 1 30 30 THR C C 13 175.619 0.000 . 1 . . . . 30 THR C . 16189 1 125 . 1 1 30 30 THR CA C 13 60.108 0.000 . 1 . . . . 30 THR CA . 16189 1 126 . 1 1 30 30 THR CB C 13 71.289 0.000 . 1 . . . . 30 THR CB . 16189 1 127 . 1 1 30 30 THR CG2 C 13 21.877 0.000 . 1 . . . . 30 THR CG2 . 16189 1 128 . 1 1 30 30 THR N N 15 114.413 0.000 . 1 . . . . 30 THR N . 16189 1 129 . 1 1 31 31 VAL H H 1 8.922 0.000 . 1 . . . . 31 VAL H . 16189 1 130 . 1 1 31 31 VAL HA H 1 3.656 0.000 . 1 . . . . 31 VAL HA . 16189 1 131 . 1 1 31 31 VAL HB H 1 2.127 0.000 . 1 . . . . 31 VAL HB . 16189 1 132 . 1 1 31 31 VAL HG11 H 1 1.013 0.000 . 2 . . . . 31 VAL HG1 . 16189 1 133 . 1 1 31 31 VAL HG12 H 1 1.013 0.000 . 2 . . . . 31 VAL HG1 . 16189 1 134 . 1 1 31 31 VAL HG13 H 1 1.013 0.000 . 2 . . . . 31 VAL HG1 . 16189 1 135 . 1 1 31 31 VAL HG21 H 1 1.164 0.000 . 2 . . . . 31 VAL HG2 . 16189 1 136 . 1 1 31 31 VAL HG22 H 1 1.164 0.000 . 2 . . . . 31 VAL HG2 . 16189 1 137 . 1 1 31 31 VAL HG23 H 1 1.164 0.000 . 2 . . . . 31 VAL HG2 . 16189 1 138 . 1 1 31 31 VAL C C 13 177.067 0.000 . 1 . . . . 31 VAL C . 16189 1 139 . 1 1 31 31 VAL CA C 13 67.324 0.000 . 1 . . . . 31 VAL CA . 16189 1 140 . 1 1 31 31 VAL CB C 13 31.187 0.000 . 1 . . . . 31 VAL CB . 16189 1 141 . 1 1 31 31 VAL CG1 C 13 21.473 0.000 . 1 . . . . 31 VAL CG1 . 16189 1 142 . 1 1 31 31 VAL CG2 C 13 22.997 0.000 . 1 . . . . 31 VAL CG2 . 16189 1 143 . 1 1 31 31 VAL N N 15 120.599 0.000 . 1 . . . . 31 VAL N . 16189 1 144 . 1 1 32 32 GLU H H 1 8.403 0.000 . 1 . . . . 32 GLU H . 16189 1 145 . 1 1 32 32 GLU HA H 1 3.891 0.000 . 1 . . . . 32 GLU HA . 16189 1 146 . 1 1 32 32 GLU HB2 H 1 2.024 0.000 . 2 . . . . 32 GLU HB2 . 16189 1 147 . 1 1 32 32 GLU HB3 H 1 1.889 0.000 . 2 . . . . 32 GLU HB3 . 16189 1 148 . 1 1 32 32 GLU HG2 H 1 2.353 0.000 . 2 . . . . 32 GLU HG2 . 16189 1 149 . 1 1 32 32 GLU HG3 H 1 2.253 0.000 . 2 . . . . 32 GLU HG3 . 16189 1 150 . 1 1 32 32 GLU C C 13 179.759 0.000 . 1 . . . . 32 GLU C . 16189 1 151 . 1 1 32 32 GLU CA C 13 60.261 0.000 . 1 . . . . 32 GLU CA . 16189 1 152 . 1 1 32 32 GLU CB C 13 28.903 0.000 . 1 . . . . 32 GLU CB . 16189 1 153 . 1 1 32 32 GLU CG C 13 36.944 0.000 . 1 . . . . 32 GLU CG . 16189 1 154 . 1 1 32 32 GLU N N 15 118.262 0.000 . 1 . . . . 32 GLU N . 16189 1 155 . 1 1 33 33 GLN H H 1 7.631 0.000 . 1 . . . . 33 GLN H . 16189 1 156 . 1 1 33 33 GLN HA H 1 3.903 0.000 . 1 . . . . 33 GLN HA . 16189 1 157 . 1 1 33 33 GLN HB2 H 1 2.401 0.000 . 2 . . . . 33 GLN HB2 . 16189 1 158 . 1 1 33 33 GLN HB3 H 1 1.824 0.000 . 2 . . . . 33 GLN HB3 . 16189 1 159 . 1 1 33 33 GLN HE21 H 1 6.926 0.000 . 2 . . . . 33 GLN HE21 . 16189 1 160 . 1 1 33 33 GLN HE22 H 1 7.578 0.000 . 2 . . . . 33 GLN HE22 . 16189 1 161 . 1 1 33 33 GLN HG2 H 1 2.417 0.000 . 2 . . . . 33 GLN HG2 . 16189 1 162 . 1 1 33 33 GLN HG3 H 1 2.417 0.000 . 2 . . . . 33 GLN HG3 . 16189 1 163 . 1 1 33 33 GLN C C 13 179.087 0.000 . 1 . . . . 33 GLN C . 16189 1 164 . 1 1 33 33 GLN CA C 13 58.872 0.000 . 1 . . . . 33 GLN CA . 16189 1 165 . 1 1 33 33 GLN CB C 13 28.790 0.000 . 1 . . . . 33 GLN CB . 16189 1 166 . 1 1 33 33 GLN CG C 13 35.037 0.000 . 1 . . . . 33 GLN CG . 16189 1 167 . 1 1 33 33 GLN N N 15 118.691 0.000 . 1 . . . . 33 GLN N . 16189 1 168 . 1 1 33 33 GLN NE2 N 15 108.810 0.000 . 1 . . . . 33 GLN NE2 . 16189 1 169 . 1 1 34 34 LEU H H 1 8.164 0.000 . 1 . . . . 34 LEU H . 16189 1 170 . 1 1 34 34 LEU HA H 1 3.543 0.000 . 1 . . . . 34 LEU HA . 16189 1 171 . 1 1 34 34 LEU HB2 H 1 1.982 0.000 . 2 . . . . 34 LEU HB2 . 16189 1 172 . 1 1 34 34 LEU HB3 H 1 1.052 0.000 . 2 . . . . 34 LEU HB3 . 16189 1 173 . 1 1 34 34 LEU HD11 H 1 0.594 0.000 . 2 . . . . 34 LEU HD1 . 16189 1 174 . 1 1 34 34 LEU HD12 H 1 0.594 0.000 . 2 . . . . 34 LEU HD1 . 16189 1 175 . 1 1 34 34 LEU HD13 H 1 0.594 0.000 . 2 . . . . 34 LEU HD1 . 16189 1 176 . 1 1 34 34 LEU HD21 H 1 0.052 0.000 . 2 . . . . 34 LEU HD2 . 16189 1 177 . 1 1 34 34 LEU HD22 H 1 0.052 0.000 . 2 . . . . 34 LEU HD2 . 16189 1 178 . 1 1 34 34 LEU HD23 H 1 0.052 0.000 . 2 . . . . 34 LEU HD2 . 16189 1 179 . 1 1 34 34 LEU HG H 1 1.490 0.000 . 1 . . . . 34 LEU HG . 16189 1 180 . 1 1 34 34 LEU C C 13 178.191 0.000 . 1 . . . . 34 LEU C . 16189 1 181 . 1 1 34 34 LEU CA C 13 57.602 0.000 . 1 . . . . 34 LEU CA . 16189 1 182 . 1 1 34 34 LEU CB C 13 43.231 0.000 . 1 . . . . 34 LEU CB . 16189 1 183 . 1 1 34 34 LEU CD1 C 13 26.944 0.000 . 1 . . . . 34 LEU CD1 . 16189 1 184 . 1 1 34 34 LEU CD2 C 13 23.888 0.000 . 1 . . . . 34 LEU CD2 . 16189 1 185 . 1 1 34 34 LEU CG C 13 26.473 0.000 . 1 . . . . 34 LEU CG . 16189 1 186 . 1 1 34 34 LEU N N 15 118.294 0.000 . 1 . . . . 34 LEU N . 16189 1 187 . 1 1 35 35 ARG H H 1 7.670 0.000 . 1 . . . . 35 ARG H . 16189 1 188 . 1 1 35 35 ARG HA H 1 3.781 0.000 . 1 . . . . 35 ARG HA . 16189 1 189 . 1 1 35 35 ARG HB2 H 1 1.919 0.000 . 2 . . . . 35 ARG HB2 . 16189 1 190 . 1 1 35 35 ARG HB3 H 1 1.678 0.000 . 2 . . . . 35 ARG HB3 . 16189 1 191 . 1 1 35 35 ARG HD2 H 1 3.109 0.000 . 2 . . . . 35 ARG HD2 . 16189 1 192 . 1 1 35 35 ARG HD3 H 1 3.109 0.000 . 2 . . . . 35 ARG HD3 . 16189 1 193 . 1 1 35 35 ARG HG2 H 1 1.476 0.000 . 2 . . . . 35 ARG HG2 . 16189 1 194 . 1 1 35 35 ARG HG3 H 1 1.476 0.000 . 2 . . . . 35 ARG HG3 . 16189 1 195 . 1 1 35 35 ARG C C 13 176.116 0.000 . 1 . . . . 35 ARG C . 16189 1 196 . 1 1 35 35 ARG CA C 13 57.577 0.000 . 1 . . . . 35 ARG CA . 16189 1 197 . 1 1 35 35 ARG CB C 13 30.578 0.000 . 1 . . . . 35 ARG CB . 16189 1 198 . 1 1 35 35 ARG CD C 13 43.457 0.000 . 1 . . . . 35 ARG CD . 16189 1 199 . 1 1 35 35 ARG CG C 13 28.848 0.000 . 1 . . . . 35 ARG CG . 16189 1 200 . 1 1 35 35 ARG N N 15 113.450 0.000 . 1 . . . . 35 ARG N . 16189 1 201 . 1 1 36 36 SER H H 1 7.285 0.000 . 1 . . . . 36 SER H . 16189 1 202 . 1 1 36 36 SER HA H 1 4.290 0.000 . 1 . . . . 36 SER HA . 16189 1 203 . 1 1 36 36 SER HB2 H 1 3.977 0.000 . 2 . . . . 36 SER HB2 . 16189 1 204 . 1 1 36 36 SER HB3 H 1 4.069 0.000 . 2 . . . . 36 SER HB3 . 16189 1 205 . 1 1 36 36 SER C C 13 175.474 0.000 . 1 . . . . 36 SER C . 16189 1 206 . 1 1 36 36 SER CA C 13 58.260 0.000 . 1 . . . . 36 SER CA . 16189 1 207 . 1 1 36 36 SER CB C 13 64.157 0.000 . 1 . . . . 36 SER CB . 16189 1 208 . 1 1 36 36 SER N N 15 115.777 0.000 . 1 . . . . 36 SER N . 16189 1 209 . 1 1 37 37 GLU H H 1 8.953 0.000 . 1 . . . . 37 GLU H . 16189 1 210 . 1 1 37 37 GLU HA H 1 4.164 0.000 . 1 . . . . 37 GLU HA . 16189 1 211 . 1 1 37 37 GLU HB2 H 1 2.083 0.000 . 2 . . . . 37 GLU HB2 . 16189 1 212 . 1 1 37 37 GLU HB3 H 1 1.983 0.000 . 2 . . . . 37 GLU HB3 . 16189 1 213 . 1 1 37 37 GLU HG2 H 1 2.363 0.000 . 2 . . . . 37 GLU HG2 . 16189 1 214 . 1 1 37 37 GLU HG3 H 1 2.320 0.000 . 2 . . . . 37 GLU HG3 . 16189 1 215 . 1 1 37 37 GLU C C 13 177.571 0.000 . 1 . . . . 37 GLU C . 16189 1 216 . 1 1 37 37 GLU CA C 13 57.698 0.000 . 1 . . . . 37 GLU CA . 16189 1 217 . 1 1 37 37 GLU CB C 13 29.148 0.000 . 1 . . . . 37 GLU CB . 16189 1 218 . 1 1 37 37 GLU CG C 13 36.265 0.000 . 1 . . . . 37 GLU CG . 16189 1 219 . 1 1 37 37 GLU N N 15 124.369 0.000 . 1 . . . . 37 GLU N . 16189 1 220 . 1 1 38 38 GLN H H 1 8.058 0.000 . 1 . . . . 38 GLN H . 16189 1 221 . 1 1 38 38 GLN HA H 1 4.048 0.000 . 1 . . . . 38 GLN HA . 16189 1 222 . 1 1 38 38 GLN HB2 H 1 2.123 0.000 . 2 . . . . 38 GLN HB2 . 16189 1 223 . 1 1 38 38 GLN HB3 H 1 1.934 0.000 . 2 . . . . 38 GLN HB3 . 16189 1 224 . 1 1 38 38 GLN HG2 H 1 2.387 0.000 . 2 . . . . 38 GLN HG2 . 16189 1 225 . 1 1 38 38 GLN HG3 H 1 2.368 0.000 . 2 . . . . 38 GLN HG3 . 16189 1 226 . 1 1 38 38 GLN C C 13 174.991 0.000 . 1 . . . . 38 GLN C . 16189 1 227 . 1 1 38 38 GLN CA C 13 56.998 0.000 . 1 . . . . 38 GLN CA . 16189 1 228 . 1 1 38 38 GLN CB C 13 28.529 0.000 . 1 . . . . 38 GLN CB . 16189 1 229 . 1 1 38 38 GLN CG C 13 34.358 0.000 . 1 . . . . 38 GLN CG . 16189 1 230 . 1 1 38 38 GLN N N 15 115.901 0.000 . 1 . . . . 38 GLN N . 16189 1 231 . 1 1 39 39 LEU H H 1 7.159 0.000 . 1 . . . . 39 LEU H . 16189 1 232 . 1 1 39 39 LEU HA H 1 4.789 0.000 . 1 . . . . 39 LEU HA . 16189 1 233 . 1 1 39 39 LEU HB2 H 1 1.580 0.000 . 2 . . . . 39 LEU HB2 . 16189 1 234 . 1 1 39 39 LEU HB3 H 1 0.892 0.000 . 2 . . . . 39 LEU HB3 . 16189 1 235 . 1 1 39 39 LEU HD11 H 1 0.273 0.000 . 2 . . . . 39 LEU HD1 . 16189 1 236 . 1 1 39 39 LEU HD12 H 1 0.273 0.000 . 2 . . . . 39 LEU HD1 . 16189 1 237 . 1 1 39 39 LEU HD13 H 1 0.273 0.000 . 2 . . . . 39 LEU HD1 . 16189 1 238 . 1 1 39 39 LEU HD21 H 1 -0.466 0.000 . 2 . . . . 39 LEU HD2 . 16189 1 239 . 1 1 39 39 LEU HD22 H 1 -0.466 0.000 . 2 . . . . 39 LEU HD2 . 16189 1 240 . 1 1 39 39 LEU HD23 H 1 -0.466 0.000 . 2 . . . . 39 LEU HD2 . 16189 1 241 . 1 1 39 39 LEU HG H 1 0.865 0.000 . 1 . . . . 39 LEU HG . 16189 1 242 . 1 1 39 39 LEU CA C 13 51.008 0.000 . 1 . . . . 39 LEU CA . 16189 1 243 . 1 1 39 39 LEU CB C 13 42.464 0.000 . 1 . . . . 39 LEU CB . 16189 1 244 . 1 1 39 39 LEU CD1 C 13 23.062 0.000 . 1 . . . . 39 LEU CD1 . 16189 1 245 . 1 1 39 39 LEU CD2 C 13 24.065 0.000 . 1 . . . . 39 LEU CD2 . 16189 1 246 . 1 1 39 39 LEU CG C 13 26.573 0.000 . 1 . . . . 39 LEU CG . 16189 1 247 . 1 1 39 39 LEU N N 15 123.248 0.000 . 1 . . . . 39 LEU N . 16189 1 248 . 1 1 40 40 PRO HA H 1 4.493 0.000 . 1 . . . . 40 PRO HA . 16189 1 249 . 1 1 40 40 PRO HB2 H 1 2.468 0.000 . 2 . . . . 40 PRO HB2 . 16189 1 250 . 1 1 40 40 PRO HB3 H 1 1.927 0.000 . 2 . . . . 40 PRO HB3 . 16189 1 251 . 1 1 40 40 PRO HD2 H 1 3.741 0.000 . 2 . . . . 40 PRO HD2 . 16189 1 252 . 1 1 40 40 PRO HD3 H 1 4.060 0.000 . 2 . . . . 40 PRO HD3 . 16189 1 253 . 1 1 40 40 PRO HG2 H 1 1.990 0.000 . 2 . . . . 40 PRO HG2 . 16189 1 254 . 1 1 40 40 PRO HG3 H 1 1.990 0.000 . 2 . . . . 40 PRO HG3 . 16189 1 255 . 1 1 40 40 PRO C C 13 177.902 0.000 . 1 . . . . 40 PRO C . 16189 1 256 . 1 1 40 40 PRO CA C 13 62.331 0.000 . 1 . . . . 40 PRO CA . 16189 1 257 . 1 1 40 40 PRO CB C 13 32.785 0.000 . 1 . . . . 40 PRO CB . 16189 1 258 . 1 1 40 40 PRO CD C 13 51.336 0.000 . 1 . . . . 40 PRO CD . 16189 1 259 . 1 1 40 40 PRO CG C 13 27.742 0.000 . 1 . . . . 40 PRO CG . 16189 1 260 . 1 1 41 41 LYS H H 1 8.811 0.000 . 1 . . . . 41 LYS H . 16189 1 261 . 1 1 41 41 LYS HA H 1 3.588 0.000 . 1 . . . . 41 LYS HA . 16189 1 262 . 1 1 41 41 LYS HB2 H 1 2.025 0.000 . 2 . . . . 41 LYS HB2 . 16189 1 263 . 1 1 41 41 LYS HB3 H 1 1.509 0.000 . 2 . . . . 41 LYS HB3 . 16189 1 264 . 1 1 41 41 LYS HD2 H 1 1.911 0.000 . 2 . . . . 41 LYS HD2 . 16189 1 265 . 1 1 41 41 LYS HD3 H 1 1.911 0.000 . 2 . . . . 41 LYS HD3 . 16189 1 266 . 1 1 41 41 LYS HE2 H 1 3.074 0.000 . 2 . . . . 41 LYS HE2 . 16189 1 267 . 1 1 41 41 LYS HE3 H 1 3.143 0.000 . 2 . . . . 41 LYS HE3 . 16189 1 268 . 1 1 41 41 LYS HG2 H 1 1.804 0.000 . 2 . . . . 41 LYS HG2 . 16189 1 269 . 1 1 41 41 LYS HG3 H 1 1.201 0.000 . 2 . . . . 41 LYS HG3 . 16189 1 270 . 1 1 41 41 LYS C C 13 179.156 0.000 . 1 . . . . 41 LYS C . 16189 1 271 . 1 1 41 41 LYS CA C 13 61.074 0.000 . 1 . . . . 41 LYS CA . 16189 1 272 . 1 1 41 41 LYS CB C 13 32.507 0.000 . 1 . . . . 41 LYS CB . 16189 1 273 . 1 1 41 41 LYS CD C 13 29.827 0.000 . 1 . . . . 41 LYS CD . 16189 1 274 . 1 1 41 41 LYS CE C 13 42.028 0.000 . 1 . . . . 41 LYS CE . 16189 1 275 . 1 1 41 41 LYS CG C 13 26.470 0.000 . 1 . . . . 41 LYS CG . 16189 1 276 . 1 1 41 41 LYS N N 15 121.490 0.000 . 1 . . . . 41 LYS N . 16189 1 277 . 1 1 42 42 LYS H H 1 8.902 0.000 . 1 . . . . 42 LYS H . 16189 1 278 . 1 1 42 42 LYS HA H 1 3.842 0.000 . 1 . . . . 42 LYS HA . 16189 1 279 . 1 1 42 42 LYS HB2 H 1 1.898 0.000 . 2 . . . . 42 LYS HB2 . 16189 1 280 . 1 1 42 42 LYS HB3 H 1 1.841 0.000 . 2 . . . . 42 LYS HB3 . 16189 1 281 . 1 1 42 42 LYS HD2 H 1 1.742 0.000 . 2 . . . . 42 LYS HD2 . 16189 1 282 . 1 1 42 42 LYS HD3 H 1 1.742 0.000 . 2 . . . . 42 LYS HD3 . 16189 1 283 . 1 1 42 42 LYS HE2 H 1 2.986 0.000 . 2 . . . . 42 LYS HE2 . 16189 1 284 . 1 1 42 42 LYS HE3 H 1 2.986 0.000 . 2 . . . . 42 LYS HE3 . 16189 1 285 . 1 1 42 42 LYS HG2 H 1 1.580 0.000 . 2 . . . . 42 LYS HG2 . 16189 1 286 . 1 1 42 42 LYS HG3 H 1 1.347 0.000 . 2 . . . . 42 LYS HG3 . 16189 1 287 . 1 1 42 42 LYS C C 13 176.946 0.000 . 1 . . . . 42 LYS C . 16189 1 288 . 1 1 42 42 LYS CA C 13 60.080 0.000 . 1 . . . . 42 LYS CA . 16189 1 289 . 1 1 42 42 LYS CB C 13 31.585 0.000 . 1 . . . . 42 LYS CB . 16189 1 290 . 1 1 42 42 LYS CD C 13 29.378 0.000 . 1 . . . . 42 LYS CD . 16189 1 291 . 1 1 42 42 LYS CE C 13 42.324 0.000 . 1 . . . . 42 LYS CE . 16189 1 292 . 1 1 42 42 LYS CG C 13 24.755 0.000 . 1 . . . . 42 LYS CG . 16189 1 293 . 1 1 42 42 LYS N N 15 115.513 0.000 . 1 . . . . 42 LYS N . 16189 1 294 . 1 1 43 43 ASP H H 1 7.260 0.000 . 1 . . . . 43 ASP H . 16189 1 295 . 1 1 43 43 ASP HA H 1 4.549 0.000 . 1 . . . . 43 ASP HA . 16189 1 296 . 1 1 43 43 ASP HB2 H 1 2.697 0.000 . 2 . . . . 43 ASP HB2 . 16189 1 297 . 1 1 43 43 ASP HB3 H 1 2.697 0.000 . 2 . . . . 43 ASP HB3 . 16189 1 298 . 1 1 43 43 ASP C C 13 179.303 0.000 . 1 . . . . 43 ASP C . 16189 1 299 . 1 1 43 43 ASP CA C 13 57.555 0.000 . 1 . . . . 43 ASP CA . 16189 1 300 . 1 1 43 43 ASP CB C 13 39.925 0.000 . 1 . . . . 43 ASP CB . 16189 1 301 . 1 1 43 43 ASP N N 15 120.534 0.000 . 1 . . . . 43 ASP N . 16189 1 302 . 1 1 44 44 ILE H H 1 7.227 0.000 . 1 . . . . 44 ILE H . 16189 1 303 . 1 1 44 44 ILE HA H 1 3.999 0.000 . 1 . . . . 44 ILE HA . 16189 1 304 . 1 1 44 44 ILE HB H 1 1.861 0.000 . 1 . . . . 44 ILE HB . 16189 1 305 . 1 1 44 44 ILE HD11 H 1 0.587 0.000 . 1 . . . . 44 ILE HD1 . 16189 1 306 . 1 1 44 44 ILE HD12 H 1 0.587 0.000 . 1 . . . . 44 ILE HD1 . 16189 1 307 . 1 1 44 44 ILE HD13 H 1 0.587 0.000 . 1 . . . . 44 ILE HD1 . 16189 1 308 . 1 1 44 44 ILE HG12 H 1 1.311 0.000 . 2 . . . . 44 ILE HG12 . 16189 1 309 . 1 1 44 44 ILE HG13 H 1 0.161 0.000 . 2 . . . . 44 ILE HG13 . 16189 1 310 . 1 1 44 44 ILE HG21 H 1 0.994 0.000 . 1 . . . . 44 ILE HG2 . 16189 1 311 . 1 1 44 44 ILE HG22 H 1 0.994 0.000 . 1 . . . . 44 ILE HG2 . 16189 1 312 . 1 1 44 44 ILE HG23 H 1 0.994 0.000 . 1 . . . . 44 ILE HG2 . 16189 1 313 . 1 1 44 44 ILE C C 13 178.162 0.000 . 1 . . . . 44 ILE C . 16189 1 314 . 1 1 44 44 ILE CA C 13 65.129 0.000 . 1 . . . . 44 ILE CA . 16189 1 315 . 1 1 44 44 ILE CB C 13 38.709 0.000 . 1 . . . . 44 ILE CB . 16189 1 316 . 1 1 44 44 ILE CD1 C 13 14.764 0.000 . 1 . . . . 44 ILE CD1 . 16189 1 317 . 1 1 44 44 ILE CG1 C 13 26.840 0.000 . 1 . . . . 44 ILE CG1 . 16189 1 318 . 1 1 44 44 ILE CG2 C 13 18.049 0.000 . 1 . . . . 44 ILE CG2 . 16189 1 319 . 1 1 44 44 ILE N N 15 120.720 0.000 . 1 . . . . 44 ILE N . 16189 1 320 . 1 1 45 45 ILE H H 1 8.417 0.000 . 1 . . . . 45 ILE H . 16189 1 321 . 1 1 45 45 ILE HA H 1 3.583 0.000 . 1 . . . . 45 ILE HA . 16189 1 322 . 1 1 45 45 ILE HB H 1 1.784 0.000 . 1 . . . . 45 ILE HB . 16189 1 323 . 1 1 45 45 ILE HD11 H 1 0.807 0.000 . 1 . . . . 45 ILE HD1 . 16189 1 324 . 1 1 45 45 ILE HD12 H 1 0.807 0.000 . 1 . . . . 45 ILE HD1 . 16189 1 325 . 1 1 45 45 ILE HD13 H 1 0.807 0.000 . 1 . . . . 45 ILE HD1 . 16189 1 326 . 1 1 45 45 ILE HG12 H 1 0.815 0.000 . 2 . . . . 45 ILE HG12 . 16189 1 327 . 1 1 45 45 ILE HG13 H 1 0.815 0.000 . 2 . . . . 45 ILE HG13 . 16189 1 328 . 1 1 45 45 ILE HG21 H 1 0.951 0.000 . 1 . . . . 45 ILE HG2 . 16189 1 329 . 1 1 45 45 ILE HG22 H 1 0.951 0.000 . 1 . . . . 45 ILE HG2 . 16189 1 330 . 1 1 45 45 ILE HG23 H 1 0.951 0.000 . 1 . . . . 45 ILE HG2 . 16189 1 331 . 1 1 45 45 ILE C C 13 177.076 0.000 . 1 . . . . 45 ILE C . 16189 1 332 . 1 1 45 45 ILE CA C 13 66.541 0.000 . 1 . . . . 45 ILE CA . 16189 1 333 . 1 1 45 45 ILE CB C 13 38.091 0.000 . 1 . . . . 45 ILE CB . 16189 1 334 . 1 1 45 45 ILE CD1 C 13 14.099 0.000 . 1 . . . . 45 ILE CD1 . 16189 1 335 . 1 1 45 45 ILE CG1 C 13 30.951 0.000 . 1 . . . . 45 ILE CG1 . 16189 1 336 . 1 1 45 45 ILE CG2 C 13 18.822 0.000 . 1 . . . . 45 ILE CG2 . 16189 1 337 . 1 1 45 45 ILE N N 15 118.850 0.000 . 1 . . . . 45 ILE N . 16189 1 338 . 1 1 46 46 LYS H H 1 8.547 0.000 . 1 . . . . 46 LYS H . 16189 1 339 . 1 1 46 46 LYS HA H 1 4.069 0.000 . 1 . . . . 46 LYS HA . 16189 1 340 . 1 1 46 46 LYS HB2 H 1 2.044 0.000 . 2 . . . . 46 LYS HB2 . 16189 1 341 . 1 1 46 46 LYS HB3 H 1 2.098 0.000 . 2 . . . . 46 LYS HB3 . 16189 1 342 . 1 1 46 46 LYS HD2 H 1 1.832 0.000 . 2 . . . . 46 LYS HD2 . 16189 1 343 . 1 1 46 46 LYS HD3 H 1 1.832 0.000 . 2 . . . . 46 LYS HD3 . 16189 1 344 . 1 1 46 46 LYS HE2 H 1 3.073 0.000 . 2 . . . . 46 LYS HE2 . 16189 1 345 . 1 1 46 46 LYS HE3 H 1 3.073 0.000 . 2 . . . . 46 LYS HE3 . 16189 1 346 . 1 1 46 46 LYS HG2 H 1 1.555 0.000 . 2 . . . . 46 LYS HG2 . 16189 1 347 . 1 1 46 46 LYS HG3 H 1 1.635 0.000 . 2 . . . . 46 LYS HG3 . 16189 1 348 . 1 1 46 46 LYS C C 13 178.082 0.000 . 1 . . . . 46 LYS C . 16189 1 349 . 1 1 46 46 LYS CA C 13 60.303 0.000 . 1 . . . . 46 LYS CA . 16189 1 350 . 1 1 46 46 LYS CB C 13 32.810 0.000 . 1 . . . . 46 LYS CB . 16189 1 351 . 1 1 46 46 LYS CD C 13 29.938 0.000 . 1 . . . . 46 LYS CD . 16189 1 352 . 1 1 46 46 LYS CE C 13 42.182 0.000 . 1 . . . . 46 LYS CE . 16189 1 353 . 1 1 46 46 LYS CG C 13 24.931 0.000 . 1 . . . . 46 LYS CG . 16189 1 354 . 1 1 46 46 LYS N N 15 119.855 0.000 . 1 . . . . 46 LYS N . 16189 1 355 . 1 1 47 47 PHE H H 1 7.685 0.000 . 1 . . . . 47 PHE H . 16189 1 356 . 1 1 47 47 PHE HA H 1 4.549 0.000 . 1 . . . . 47 PHE HA . 16189 1 357 . 1 1 47 47 PHE HB2 H 1 3.790 0.000 . 2 . . . . 47 PHE HB2 . 16189 1 358 . 1 1 47 47 PHE HB3 H 1 3.728 0.000 . 2 . . . . 47 PHE HB3 . 16189 1 359 . 1 1 47 47 PHE HD1 H 1 7.450 0.000 . 1 . . . . 47 PHE HD1 . 16189 1 360 . 1 1 47 47 PHE HD2 H 1 7.450 0.000 . 1 . . . . 47 PHE HD2 . 16189 1 361 . 1 1 47 47 PHE HE1 H 1 7.126 0.000 . 1 . . . . 47 PHE HE1 . 16189 1 362 . 1 1 47 47 PHE HE2 H 1 7.126 0.000 . 1 . . . . 47 PHE HE2 . 16189 1 363 . 1 1 47 47 PHE HZ H 1 7.034 0.000 . 1 . . . . 47 PHE HZ . 16189 1 364 . 1 1 47 47 PHE C C 13 178.375 0.000 . 1 . . . . 47 PHE C . 16189 1 365 . 1 1 47 47 PHE CA C 13 62.495 0.000 . 1 . . . . 47 PHE CA . 16189 1 366 . 1 1 47 47 PHE CB C 13 39.617 0.000 . 1 . . . . 47 PHE CB . 16189 1 367 . 1 1 47 47 PHE CD1 C 13 131.756 0.000 . 1 . . . . 47 PHE CD1 . 16189 1 368 . 1 1 47 47 PHE CD2 C 13 131.756 0.000 . 1 . . . . 47 PHE CD2 . 16189 1 369 . 1 1 47 47 PHE CE1 C 13 131.818 0.000 . 1 . . . . 47 PHE CE1 . 16189 1 370 . 1 1 47 47 PHE CE2 C 13 131.818 0.000 . 1 . . . . 47 PHE CE2 . 16189 1 371 . 1 1 47 47 PHE CZ C 13 129.329 0.000 . 1 . . . . 47 PHE CZ . 16189 1 372 . 1 1 47 47 PHE N N 15 117.977 0.000 . 1 . . . . 47 PHE N . 16189 1 373 . 1 1 48 48 LEU H H 1 8.723 0.000 . 1 . . . . 48 LEU H . 16189 1 374 . 1 1 48 48 LEU HA H 1 3.986 0.000 . 1 . . . . 48 LEU HA . 16189 1 375 . 1 1 48 48 LEU HB2 H 1 2.304 0.000 . 2 . . . . 48 LEU HB2 . 16189 1 376 . 1 1 48 48 LEU HB3 H 1 1.445 0.000 . 2 . . . . 48 LEU HB3 . 16189 1 377 . 1 1 48 48 LEU HD11 H 1 1.111 0.000 . 2 . . . . 48 LEU HD1 . 16189 1 378 . 1 1 48 48 LEU HD12 H 1 1.111 0.000 . 2 . . . . 48 LEU HD1 . 16189 1 379 . 1 1 48 48 LEU HD13 H 1 1.111 0.000 . 2 . . . . 48 LEU HD1 . 16189 1 380 . 1 1 48 48 LEU HD21 H 1 1.237 0.000 . 2 . . . . 48 LEU HD2 . 16189 1 381 . 1 1 48 48 LEU HD22 H 1 1.237 0.000 . 2 . . . . 48 LEU HD2 . 16189 1 382 . 1 1 48 48 LEU HD23 H 1 1.237 0.000 . 2 . . . . 48 LEU HD2 . 16189 1 383 . 1 1 48 48 LEU HG H 1 2.564 0.000 . 1 . . . . 48 LEU HG . 16189 1 384 . 1 1 48 48 LEU C C 13 178.759 0.000 . 1 . . . . 48 LEU C . 16189 1 385 . 1 1 48 48 LEU CA C 13 58.708 0.000 . 1 . . . . 48 LEU CA . 16189 1 386 . 1 1 48 48 LEU CB C 13 41.773 0.000 . 1 . . . . 48 LEU CB . 16189 1 387 . 1 1 48 48 LEU CD1 C 13 27.841 0.000 . 1 . . . . 48 LEU CD1 . 16189 1 388 . 1 1 48 48 LEU CD2 C 13 24.432 0.000 . 1 . . . . 48 LEU CD2 . 16189 1 389 . 1 1 48 48 LEU CG C 13 27.131 0.000 . 1 . . . . 48 LEU CG . 16189 1 390 . 1 1 48 48 LEU N N 15 119.665 0.000 . 1 . . . . 48 LEU N . 16189 1 391 . 1 1 49 49 GLN H H 1 9.123 0.000 . 1 . . . . 49 GLN H . 16189 1 392 . 1 1 49 49 GLN HA H 1 4.255 0.000 . 1 . . . . 49 GLN HA . 16189 1 393 . 1 1 49 49 GLN HB2 H 1 2.063 0.000 . 2 . . . . 49 GLN HB2 . 16189 1 394 . 1 1 49 49 GLN HB3 H 1 2.255 0.000 . 2 . . . . 49 GLN HB3 . 16189 1 395 . 1 1 49 49 GLN HE21 H 1 7.085 0.000 . 2 . . . . 49 GLN HE21 . 16189 1 396 . 1 1 49 49 GLN HE22 H 1 7.931 0.000 . 2 . . . . 49 GLN HE22 . 16189 1 397 . 1 1 49 49 GLN HG2 H 1 2.914 0.000 . 2 . . . . 49 GLN HG2 . 16189 1 398 . 1 1 49 49 GLN HG3 H 1 2.316 0.000 . 2 . . . . 49 GLN HG3 . 16189 1 399 . 1 1 49 49 GLN C C 13 178.043 0.000 . 1 . . . . 49 GLN C . 16189 1 400 . 1 1 49 49 GLN CA C 13 59.052 0.000 . 1 . . . . 49 GLN CA . 16189 1 401 . 1 1 49 49 GLN CB C 13 28.046 0.000 . 1 . . . . 49 GLN CB . 16189 1 402 . 1 1 49 49 GLN CG C 13 34.805 0.000 . 1 . . . . 49 GLN CG . 16189 1 403 . 1 1 49 49 GLN N N 15 116.634 0.000 . 1 . . . . 49 GLN N . 16189 1 404 . 1 1 49 49 GLN NE2 N 15 108.790 0.000 . 1 . . . . 49 GLN NE2 . 16189 1 405 . 1 1 50 50 GLU H H 1 7.968 0.000 . 1 . . . . 50 GLU H . 16189 1 406 . 1 1 50 50 GLU HA H 1 4.029 0.000 . 1 . . . . 50 GLU HA . 16189 1 407 . 1 1 50 50 GLU HB2 H 1 1.940 0.000 . 2 . . . . 50 GLU HB2 . 16189 1 408 . 1 1 50 50 GLU HB3 H 1 1.521 0.000 . 2 . . . . 50 GLU HB3 . 16189 1 409 . 1 1 50 50 GLU HG2 H 1 2.208 0.000 . 2 . . . . 50 GLU HG2 . 16189 1 410 . 1 1 50 50 GLU HG3 H 1 1.810 0.000 . 2 . . . . 50 GLU HG3 . 16189 1 411 . 1 1 50 50 GLU C C 13 177.588 0.000 . 1 . . . . 50 GLU C . 16189 1 412 . 1 1 50 50 GLU CA C 13 57.877 0.000 . 1 . . . . 50 GLU CA . 16189 1 413 . 1 1 50 50 GLU CB C 13 29.876 0.000 . 1 . . . . 50 GLU CB . 16189 1 414 . 1 1 50 50 GLU CG C 13 36.332 0.000 . 1 . . . . 50 GLU CG . 16189 1 415 . 1 1 50 50 GLU N N 15 116.777 0.000 . 1 . . . . 50 GLU N . 16189 1 416 . 1 1 51 51 HIS H H 1 7.344 0.000 . 1 . . . . 51 HIS H . 16189 1 417 . 1 1 51 51 HIS HA H 1 4.697 0.000 . 1 . . . . 51 HIS HA . 16189 1 418 . 1 1 51 51 HIS HB2 H 1 3.009 0.000 . 2 . . . . 51 HIS HB2 . 16189 1 419 . 1 1 51 51 HIS HB3 H 1 2.121 0.000 . 2 . . . . 51 HIS HB3 . 16189 1 420 . 1 1 51 51 HIS HD2 H 1 7.243 0.000 . 1 . . . . 51 HIS HD2 . 16189 1 421 . 1 1 51 51 HIS C C 13 175.289 0.000 . 1 . . . . 51 HIS C . 16189 1 422 . 1 1 51 51 HIS CA C 13 57.454 0.000 . 1 . . . . 51 HIS CA . 16189 1 423 . 1 1 51 51 HIS CB C 13 31.245 0.000 . 1 . . . . 51 HIS CB . 16189 1 424 . 1 1 51 51 HIS CD2 C 13 119.336 0.000 . 1 . . . . 51 HIS CD2 . 16189 1 425 . 1 1 51 51 HIS N N 15 112.045 0.000 . 1 . . . . 51 HIS N . 16189 1 426 . 1 1 52 52 GLY H H 1 8.768 0.000 . 1 . . . . 52 GLY H . 16189 1 427 . 1 1 52 52 GLY HA2 H 1 4.216 0.000 . 2 . . . . 52 GLY HA2 . 16189 1 428 . 1 1 52 52 GLY HA3 H 1 3.380 0.000 . 2 . . . . 52 GLY HA3 . 16189 1 429 . 1 1 52 52 GLY C C 13 172.112 0.000 . 1 . . . . 52 GLY C . 16189 1 430 . 1 1 52 52 GLY CA C 13 44.624 0.000 . 1 . . . . 52 GLY CA . 16189 1 431 . 1 1 52 52 GLY N N 15 109.849 0.000 . 1 . . . . 52 GLY N . 16189 1 432 . 1 1 53 53 SER H H 1 8.364 0.000 . 1 . . . . 53 SER H . 16189 1 433 . 1 1 53 53 SER HA H 1 4.290 0.000 . 1 . . . . 53 SER HA . 16189 1 434 . 1 1 53 53 SER HB2 H 1 4.305 0.000 . 2 . . . . 53 SER HB2 . 16189 1 435 . 1 1 53 53 SER HB3 H 1 3.706 0.000 . 2 . . . . 53 SER HB3 . 16189 1 436 . 1 1 53 53 SER C C 13 174.000 0.000 . 1 . . . . 53 SER C . 16189 1 437 . 1 1 53 53 SER CA C 13 57.823 0.000 . 1 . . . . 53 SER CA . 16189 1 438 . 1 1 53 53 SER CB C 13 64.299 0.000 . 1 . . . . 53 SER CB . 16189 1 439 . 1 1 53 53 SER N N 15 118.006 0.000 . 1 . . . . 53 SER N . 16189 1 440 . 1 1 54 54 ASP H H 1 9.114 0.000 . 1 . . . . 54 ASP H . 16189 1 441 . 1 1 54 54 ASP HA H 1 4.410 0.000 . 1 . . . . 54 ASP HA . 16189 1 442 . 1 1 54 54 ASP HB2 H 1 2.717 0.000 . 2 . . . . 54 ASP HB2 . 16189 1 443 . 1 1 54 54 ASP HB3 H 1 2.717 0.000 . 2 . . . . 54 ASP HB3 . 16189 1 444 . 1 1 54 54 ASP C C 13 179.016 0.000 . 1 . . . . 54 ASP C . 16189 1 445 . 1 1 54 54 ASP CA C 13 58.341 0.000 . 1 . . . . 54 ASP CA . 16189 1 446 . 1 1 54 54 ASP CB C 13 39.832 0.000 . 1 . . . . 54 ASP CB . 16189 1 447 . 1 1 54 54 ASP N N 15 122.130 0.000 . 1 . . . . 54 ASP N . 16189 1 448 . 1 1 55 55 SER H H 1 8.537 0.000 . 1 . . . . 55 SER H . 16189 1 449 . 1 1 55 55 SER HA H 1 4.224 0.000 . 1 . . . . 55 SER HA . 16189 1 450 . 1 1 55 55 SER HB2 H 1 3.955 0.000 . 2 . . . . 55 SER HB2 . 16189 1 451 . 1 1 55 55 SER HB3 H 1 3.892 0.000 . 2 . . . . 55 SER HB3 . 16189 1 452 . 1 1 55 55 SER C C 13 176.781 0.000 . 1 . . . . 55 SER C . 16189 1 453 . 1 1 55 55 SER CA C 13 60.967 0.000 . 1 . . . . 55 SER CA . 16189 1 454 . 1 1 55 55 SER CB C 13 61.848 0.000 . 1 . . . . 55 SER CB . 16189 1 455 . 1 1 55 55 SER N N 15 114.490 0.000 . 1 . . . . 55 SER N . 16189 1 456 . 1 1 56 56 PHE H H 1 7.869 0.000 . 1 . . . . 56 PHE H . 16189 1 457 . 1 1 56 56 PHE HA H 1 4.075 0.000 . 1 . . . . 56 PHE HA . 16189 1 458 . 1 1 56 56 PHE HB2 H 1 3.523 0.000 . 2 . . . . 56 PHE HB2 . 16189 1 459 . 1 1 56 56 PHE HB3 H 1 3.007 0.000 . 2 . . . . 56 PHE HB3 . 16189 1 460 . 1 1 56 56 PHE HD1 H 1 7.052 0.000 . 1 . . . . 56 PHE HD1 . 16189 1 461 . 1 1 56 56 PHE HD2 H 1 7.052 0.000 . 1 . . . . 56 PHE HD2 . 16189 1 462 . 1 1 56 56 PHE C C 13 177.617 0.000 . 1 . . . . 56 PHE C . 16189 1 463 . 1 1 56 56 PHE CA C 13 62.117 0.000 . 1 . . . . 56 PHE CA . 16189 1 464 . 1 1 56 56 PHE CB C 13 39.211 0.000 . 1 . . . . 56 PHE CB . 16189 1 465 . 1 1 56 56 PHE CD1 C 13 131.734 0.000 . 1 . . . . 56 PHE CD1 . 16189 1 466 . 1 1 56 56 PHE CD2 C 13 131.734 0.000 . 1 . . . . 56 PHE CD2 . 16189 1 467 . 1 1 56 56 PHE N N 15 126.827 0.000 . 1 . . . . 56 PHE N . 16189 1 468 . 1 1 57 57 LEU H H 1 8.883 0.000 . 1 . . . . 57 LEU H . 16189 1 469 . 1 1 57 57 LEU HA H 1 3.743 0.000 . 1 . . . . 57 LEU HA . 16189 1 470 . 1 1 57 57 LEU HB2 H 1 2.072 0.000 . 2 . . . . 57 LEU HB2 . 16189 1 471 . 1 1 57 57 LEU HB3 H 1 1.094 0.000 . 2 . . . . 57 LEU HB3 . 16189 1 472 . 1 1 57 57 LEU HD21 H 1 0.933 0.000 . 2 . . . . 57 LEU HD2 . 16189 1 473 . 1 1 57 57 LEU HD22 H 1 0.933 0.000 . 2 . . . . 57 LEU HD2 . 16189 1 474 . 1 1 57 57 LEU HD23 H 1 0.933 0.000 . 2 . . . . 57 LEU HD2 . 16189 1 475 . 1 1 57 57 LEU HG H 1 1.090 0.000 . 1 . . . . 57 LEU HG . 16189 1 476 . 1 1 57 57 LEU C C 13 179.846 0.000 . 1 . . . . 57 LEU C . 16189 1 477 . 1 1 57 57 LEU CA C 13 57.874 0.000 . 1 . . . . 57 LEU CA . 16189 1 478 . 1 1 57 57 LEU CB C 13 41.812 0.000 . 1 . . . . 57 LEU CB . 16189 1 479 . 1 1 57 57 LEU CD2 C 13 22.283 0.000 . 1 . . . . 57 LEU CD2 . 16189 1 480 . 1 1 57 57 LEU CG C 13 27.298 0.000 . 1 . . . . 57 LEU CG . 16189 1 481 . 1 1 57 57 LEU N N 15 120.673 0.000 . 1 . . . . 57 LEU N . 16189 1 482 . 1 1 58 58 ALA H H 1 8.586 0.000 . 1 . . . . 58 ALA H . 16189 1 483 . 1 1 58 58 ALA HA H 1 4.083 0.000 . 1 . . . . 58 ALA HA . 16189 1 484 . 1 1 58 58 ALA HB1 H 1 1.537 0.000 . 1 . . . . 58 ALA HB . 16189 1 485 . 1 1 58 58 ALA HB2 H 1 1.537 0.000 . 1 . . . . 58 ALA HB . 16189 1 486 . 1 1 58 58 ALA HB3 H 1 1.537 0.000 . 1 . . . . 58 ALA HB . 16189 1 487 . 1 1 58 58 ALA C C 13 181.928 0.000 . 1 . . . . 58 ALA C . 16189 1 488 . 1 1 58 58 ALA CA C 13 55.216 0.000 . 1 . . . . 58 ALA CA . 16189 1 489 . 1 1 58 58 ALA CB C 13 18.154 0.000 . 1 . . . . 58 ALA CB . 16189 1 490 . 1 1 58 58 ALA N N 15 122.291 0.000 . 1 . . . . 58 ALA N . 16189 1 491 . 1 1 59 59 GLU H H 1 8.006 0.000 . 1 . . . . 59 GLU H . 16189 1 492 . 1 1 59 59 GLU HA H 1 3.876 0.000 . 1 . . . . 59 GLU HA . 16189 1 493 . 1 1 59 59 GLU HB2 H 1 2.074 0.000 . 2 . . . . 59 GLU HB2 . 16189 1 494 . 1 1 59 59 GLU HB3 H 1 1.840 0.000 . 2 . . . . 59 GLU HB3 . 16189 1 495 . 1 1 59 59 GLU HG2 H 1 2.280 0.000 . 2 . . . . 59 GLU HG2 . 16189 1 496 . 1 1 59 59 GLU HG3 H 1 1.861 0.000 . 2 . . . . 59 GLU HG3 . 16189 1 497 . 1 1 59 59 GLU C C 13 177.692 0.000 . 1 . . . . 59 GLU C . 16189 1 498 . 1 1 59 59 GLU CA C 13 58.939 0.000 . 1 . . . . 59 GLU CA . 16189 1 499 . 1 1 59 59 GLU CB C 13 29.526 0.000 . 1 . . . . 59 GLU CB . 16189 1 500 . 1 1 59 59 GLU CG C 13 35.877 0.000 . 1 . . . . 59 GLU CG . 16189 1 501 . 1 1 59 59 GLU N N 15 119.967 0.000 . 1 . . . . 59 GLU N . 16189 1 502 . 1 1 60 60 HIS H H 1 7.103 0.000 . 1 . . . . 60 HIS H . 16189 1 503 . 1 1 60 60 HIS HA H 1 4.455 0.000 . 1 . . . . 60 HIS HA . 16189 1 504 . 1 1 60 60 HIS HB2 H 1 3.204 0.000 . 2 . . . . 60 HIS HB2 . 16189 1 505 . 1 1 60 60 HIS HB3 H 1 2.204 0.000 . 2 . . . . 60 HIS HB3 . 16189 1 506 . 1 1 60 60 HIS C C 13 172.858 0.000 . 1 . . . . 60 HIS C . 16189 1 507 . 1 1 60 60 HIS CA C 13 57.040 0.000 . 1 . . . . 60 HIS CA . 16189 1 508 . 1 1 60 60 HIS CB C 13 30.125 0.000 . 1 . . . . 60 HIS CB . 16189 1 509 . 1 1 60 60 HIS N N 15 113.629 0.000 . 1 . . . . 60 HIS N . 16189 1 510 . 1 1 61 61 LYS H H 1 7.828 0.000 . 1 . . . . 61 LYS H . 16189 1 511 . 1 1 61 61 LYS HA H 1 4.084 0.000 . 1 . . . . 61 LYS HA . 16189 1 512 . 1 1 61 61 LYS HB2 H 1 2.073 0.000 . 2 . . . . 61 LYS HB2 . 16189 1 513 . 1 1 61 61 LYS HB3 H 1 1.927 0.000 . 2 . . . . 61 LYS HB3 . 16189 1 514 . 1 1 61 61 LYS HD2 H 1 1.722 0.000 . 2 . . . . 61 LYS HD2 . 16189 1 515 . 1 1 61 61 LYS HD3 H 1 1.639 0.000 . 2 . . . . 61 LYS HD3 . 16189 1 516 . 1 1 61 61 LYS HE2 H 1 2.981 0.000 . 2 . . . . 61 LYS HE2 . 16189 1 517 . 1 1 61 61 LYS HE3 H 1 2.981 0.000 . 2 . . . . 61 LYS HE3 . 16189 1 518 . 1 1 61 61 LYS HG2 H 1 1.342 0.000 . 2 . . . . 61 LYS HG2 . 16189 1 519 . 1 1 61 61 LYS HG3 H 1 1.686 0.000 . 2 . . . . 61 LYS HG3 . 16189 1 520 . 1 1 61 61 LYS C C 13 176.812 0.000 . 1 . . . . 61 LYS C . 16189 1 521 . 1 1 61 61 LYS CA C 13 57.528 0.000 . 1 . . . . 61 LYS CA . 16189 1 522 . 1 1 61 61 LYS CB C 13 28.313 0.000 . 1 . . . . 61 LYS CB . 16189 1 523 . 1 1 61 61 LYS CD C 13 29.006 0.000 . 1 . . . . 61 LYS CD . 16189 1 524 . 1 1 61 61 LYS CE C 13 42.217 0.000 . 1 . . . . 61 LYS CE . 16189 1 525 . 1 1 61 61 LYS CG C 13 25.136 0.000 . 1 . . . . 61 LYS CG . 16189 1 526 . 1 1 61 61 LYS N N 15 117.116 0.000 . 1 . . . . 61 LYS N . 16189 1 527 . 1 1 62 62 LEU H H 1 8.351 0.000 . 1 . . . . 62 LEU H . 16189 1 528 . 1 1 62 62 LEU HA H 1 4.610 0.000 . 1 . . . . 62 LEU HA . 16189 1 529 . 1 1 62 62 LEU HB2 H 1 1.821 0.000 . 2 . . . . 62 LEU HB2 . 16189 1 530 . 1 1 62 62 LEU HB3 H 1 1.524 0.000 . 2 . . . . 62 LEU HB3 . 16189 1 531 . 1 1 62 62 LEU HD11 H 1 0.782 0.000 . 2 . . . . 62 LEU HD1 . 16189 1 532 . 1 1 62 62 LEU HD12 H 1 0.782 0.000 . 2 . . . . 62 LEU HD1 . 16189 1 533 . 1 1 62 62 LEU HD13 H 1 0.782 0.000 . 2 . . . . 62 LEU HD1 . 16189 1 534 . 1 1 62 62 LEU HD21 H 1 0.741 0.000 . 2 . . . . 62 LEU HD2 . 16189 1 535 . 1 1 62 62 LEU HD22 H 1 0.741 0.000 . 2 . . . . 62 LEU HD2 . 16189 1 536 . 1 1 62 62 LEU HD23 H 1 0.741 0.000 . 2 . . . . 62 LEU HD2 . 16189 1 537 . 1 1 62 62 LEU HG H 1 1.720 0.000 . 1 . . . . 62 LEU HG . 16189 1 538 . 1 1 62 62 LEU C C 13 175.348 0.000 . 1 . . . . 62 LEU C . 16189 1 539 . 1 1 62 62 LEU CA C 13 53.250 0.000 . 1 . . . . 62 LEU CA . 16189 1 540 . 1 1 62 62 LEU CB C 13 44.157 0.000 . 1 . . . . 62 LEU CB . 16189 1 541 . 1 1 62 62 LEU CD1 C 13 28.215 0.000 . 1 . . . . 62 LEU CD1 . 16189 1 542 . 1 1 62 62 LEU CD2 C 13 23.562 0.000 . 1 . . . . 62 LEU CD2 . 16189 1 543 . 1 1 62 62 LEU CG C 13 25.753 0.000 . 1 . . . . 62 LEU CG . 16189 1 544 . 1 1 62 62 LEU N N 15 115.836 0.000 . 1 . . . . 62 LEU N . 16189 1 545 . 1 1 63 63 LEU H H 1 7.423 0.000 . 1 . . . . 63 LEU H . 16189 1 546 . 1 1 63 63 LEU HA H 1 4.358 0.000 . 1 . . . . 63 LEU HA . 16189 1 547 . 1 1 63 63 LEU HB2 H 1 1.620 0.000 . 2 . . . . 63 LEU HB2 . 16189 1 548 . 1 1 63 63 LEU HB3 H 1 1.476 0.000 . 2 . . . . 63 LEU HB3 . 16189 1 549 . 1 1 63 63 LEU HD11 H 1 0.933 0.000 . 2 . . . . 63 LEU HD1 . 16189 1 550 . 1 1 63 63 LEU HD12 H 1 0.933 0.000 . 2 . . . . 63 LEU HD1 . 16189 1 551 . 1 1 63 63 LEU HD13 H 1 0.933 0.000 . 2 . . . . 63 LEU HD1 . 16189 1 552 . 1 1 63 63 LEU HD21 H 1 0.912 0.000 . 2 . . . . 63 LEU HD2 . 16189 1 553 . 1 1 63 63 LEU HD22 H 1 0.912 0.000 . 2 . . . . 63 LEU HD2 . 16189 1 554 . 1 1 63 63 LEU HD23 H 1 0.912 0.000 . 2 . . . . 63 LEU HD2 . 16189 1 555 . 1 1 63 63 LEU HG H 1 1.357 0.000 . 1 . . . . 63 LEU HG . 16189 1 556 . 1 1 63 63 LEU C C 13 176.840 0.000 . 1 . . . . 63 LEU C . 16189 1 557 . 1 1 63 63 LEU CA C 13 54.627 0.000 . 1 . . . . 63 LEU CA . 16189 1 558 . 1 1 63 63 LEU CB C 13 42.947 0.000 . 1 . . . . 63 LEU CB . 16189 1 559 . 1 1 63 63 LEU CD1 C 13 25.237 0.000 . 1 . . . . 63 LEU CD1 . 16189 1 560 . 1 1 63 63 LEU CD2 C 13 24.443 0.000 . 1 . . . . 63 LEU CD2 . 16189 1 561 . 1 1 63 63 LEU CG C 13 26.847 0.000 . 1 . . . . 63 LEU CG . 16189 1 562 . 1 1 63 63 LEU N N 15 118.920 0.000 . 1 . . . . 63 LEU N . 16189 1 563 . 1 1 64 64 GLY H H 1 8.318 0.000 . 1 . . . . 64 GLY H . 16189 1 564 . 1 1 64 64 GLY HA2 H 1 4.285 0.000 . 2 . . . . 64 GLY HA2 . 16189 1 565 . 1 1 64 64 GLY HA3 H 1 3.709 0.000 . 2 . . . . 64 GLY HA3 . 16189 1 566 . 1 1 64 64 GLY C C 13 172.866 0.000 . 1 . . . . 64 GLY C . 16189 1 567 . 1 1 64 64 GLY CA C 13 43.600 0.000 . 1 . . . . 64 GLY CA . 16189 1 568 . 1 1 64 64 GLY N N 15 109.728 0.000 . 1 . . . . 64 GLY N . 16189 1 569 . 1 1 65 65 ASN H H 1 8.512 0.000 . 1 . . . . 65 ASN H . 16189 1 570 . 1 1 65 65 ASN HA H 1 4.614 0.000 . 1 . . . . 65 ASN HA . 16189 1 571 . 1 1 65 65 ASN HB2 H 1 2.941 0.000 . 2 . . . . 65 ASN HB2 . 16189 1 572 . 1 1 65 65 ASN HB3 H 1 2.820 0.000 . 2 . . . . 65 ASN HB3 . 16189 1 573 . 1 1 65 65 ASN C C 13 177.499 0.000 . 1 . . . . 65 ASN C . 16189 1 574 . 1 1 65 65 ASN CA C 13 53.952 0.000 . 1 . . . . 65 ASN CA . 16189 1 575 . 1 1 65 65 ASN CB C 13 39.228 0.000 . 1 . . . . 65 ASN CB . 16189 1 576 . 1 1 65 65 ASN N N 15 118.391 0.000 . 1 . . . . 65 ASN N . 16189 1 577 . 1 1 66 66 ILE H H 1 8.925 0.000 . 1 . . . . 66 ILE H . 16189 1 578 . 1 1 66 66 ILE HA H 1 3.601 0.000 . 1 . . . . 66 ILE HA . 16189 1 579 . 1 1 66 66 ILE HB H 1 1.949 0.000 . 1 . . . . 66 ILE HB . 16189 1 580 . 1 1 66 66 ILE HD11 H 1 1.005 0.000 . 1 . . . . 66 ILE HD1 . 16189 1 581 . 1 1 66 66 ILE HD12 H 1 1.005 0.000 . 1 . . . . 66 ILE HD1 . 16189 1 582 . 1 1 66 66 ILE HD13 H 1 1.005 0.000 . 1 . . . . 66 ILE HD1 . 16189 1 583 . 1 1 66 66 ILE HG12 H 1 1.731 0.000 . 2 . . . . 66 ILE HG12 . 16189 1 584 . 1 1 66 66 ILE HG13 H 1 1.103 0.000 . 2 . . . . 66 ILE HG13 . 16189 1 585 . 1 1 66 66 ILE HG21 H 1 0.997 0.000 . 1 . . . . 66 ILE HG2 . 16189 1 586 . 1 1 66 66 ILE HG22 H 1 0.997 0.000 . 1 . . . . 66 ILE HG2 . 16189 1 587 . 1 1 66 66 ILE HG23 H 1 0.997 0.000 . 1 . . . . 66 ILE HG2 . 16189 1 588 . 1 1 66 66 ILE C C 13 176.269 0.000 . 1 . . . . 66 ILE C . 16189 1 589 . 1 1 66 66 ILE CA C 13 66.129 0.000 . 1 . . . . 66 ILE CA . 16189 1 590 . 1 1 66 66 ILE CB C 13 37.801 0.000 . 1 . . . . 66 ILE CB . 16189 1 591 . 1 1 66 66 ILE CD1 C 13 13.879 0.000 . 1 . . . . 66 ILE CD1 . 16189 1 592 . 1 1 66 66 ILE CG1 C 13 29.544 0.000 . 1 . . . . 66 ILE CG1 . 16189 1 593 . 1 1 66 66 ILE CG2 C 13 17.225 0.000 . 1 . . . . 66 ILE CG2 . 16189 1 594 . 1 1 66 66 ILE N N 15 126.957 0.000 . 1 . . . . 66 ILE N . 16189 1 595 . 1 1 67 67 LYS H H 1 8.203 0.000 . 1 . . . . 67 LYS H . 16189 1 596 . 1 1 67 67 LYS HA H 1 4.011 0.000 . 1 . . . . 67 LYS HA . 16189 1 597 . 1 1 67 67 LYS HB2 H 1 1.872 0.000 . 2 . . . . 67 LYS HB2 . 16189 1 598 . 1 1 67 67 LYS HB3 H 1 1.800 0.000 . 2 . . . . 67 LYS HB3 . 16189 1 599 . 1 1 67 67 LYS HD2 H 1 1.777 0.000 . 2 . . . . 67 LYS HD2 . 16189 1 600 . 1 1 67 67 LYS HD3 H 1 1.777 0.000 . 2 . . . . 67 LYS HD3 . 16189 1 601 . 1 1 67 67 LYS HE2 H 1 3.043 0.000 . 2 . . . . 67 LYS HE2 . 16189 1 602 . 1 1 67 67 LYS HE3 H 1 3.043 0.000 . 2 . . . . 67 LYS HE3 . 16189 1 603 . 1 1 67 67 LYS HG2 H 1 1.548 0.000 . 2 . . . . 67 LYS HG2 . 16189 1 604 . 1 1 67 67 LYS HG3 H 1 1.394 0.000 . 2 . . . . 67 LYS HG3 . 16189 1 605 . 1 1 67 67 LYS C C 13 178.871 0.000 . 1 . . . . 67 LYS C . 16189 1 606 . 1 1 67 67 LYS CA C 13 59.508 0.000 . 1 . . . . 67 LYS CA . 16189 1 607 . 1 1 67 67 LYS CB C 13 32.124 0.000 . 1 . . . . 67 LYS CB . 16189 1 608 . 1 1 67 67 LYS CD C 13 29.395 0.000 . 1 . . . . 67 LYS CD . 16189 1 609 . 1 1 67 67 LYS CE C 13 42.097 0.000 . 1 . . . . 67 LYS CE . 16189 1 610 . 1 1 67 67 LYS CG C 13 25.285 0.000 . 1 . . . . 67 LYS CG . 16189 1 611 . 1 1 67 67 LYS N N 15 118.984 0.000 . 1 . . . . 67 LYS N . 16189 1 612 . 1 1 68 68 ASN H H 1 7.655 0.000 . 1 . . . . 68 ASN H . 16189 1 613 . 1 1 68 68 ASN HA H 1 4.586 0.000 . 1 . . . . 68 ASN HA . 16189 1 614 . 1 1 68 68 ASN HB2 H 1 2.928 0.000 . 2 . . . . 68 ASN HB2 . 16189 1 615 . 1 1 68 68 ASN HB3 H 1 2.928 0.000 . 2 . . . . 68 ASN HB3 . 16189 1 616 . 1 1 68 68 ASN C C 13 178.083 0.000 . 1 . . . . 68 ASN C . 16189 1 617 . 1 1 68 68 ASN CA C 13 55.588 0.000 . 1 . . . . 68 ASN CA . 16189 1 618 . 1 1 68 68 ASN CB C 13 38.370 0.000 . 1 . . . . 68 ASN CB . 16189 1 619 . 1 1 68 68 ASN N N 15 117.201 0.000 . 1 . . . . 68 ASN N . 16189 1 620 . 1 1 69 69 VAL H H 1 8.370 0.000 . 1 . . . . 69 VAL H . 16189 1 621 . 1 1 69 69 VAL HA H 1 3.737 0.000 . 1 . . . . 69 VAL HA . 16189 1 622 . 1 1 69 69 VAL HB H 1 1.928 0.000 . 1 . . . . 69 VAL HB . 16189 1 623 . 1 1 69 69 VAL HG11 H 1 0.953 0.000 . 2 . . . . 69 VAL HG1 . 16189 1 624 . 1 1 69 69 VAL HG12 H 1 0.953 0.000 . 2 . . . . 69 VAL HG1 . 16189 1 625 . 1 1 69 69 VAL HG13 H 1 0.953 0.000 . 2 . . . . 69 VAL HG1 . 16189 1 626 . 1 1 69 69 VAL HG21 H 1 0.718 0.000 . 2 . . . . 69 VAL HG2 . 16189 1 627 . 1 1 69 69 VAL HG22 H 1 0.718 0.000 . 2 . . . . 69 VAL HG2 . 16189 1 628 . 1 1 69 69 VAL HG23 H 1 0.718 0.000 . 2 . . . . 69 VAL HG2 . 16189 1 629 . 1 1 69 69 VAL C C 13 178.131 0.000 . 1 . . . . 69 VAL C . 16189 1 630 . 1 1 69 69 VAL CA C 13 65.583 0.000 . 1 . . . . 69 VAL CA . 16189 1 631 . 1 1 69 69 VAL CB C 13 32.012 0.000 . 1 . . . . 69 VAL CB . 16189 1 632 . 1 1 69 69 VAL CG1 C 13 22.593 0.000 . 1 . . . . 69 VAL CG1 . 16189 1 633 . 1 1 69 69 VAL CG2 C 13 21.903 0.000 . 1 . . . . 69 VAL CG2 . 16189 1 634 . 1 1 69 69 VAL N N 15 121.529 0.000 . 1 . . . . 69 VAL N . 16189 1 635 . 1 1 70 70 ALA H H 1 8.532 0.000 . 1 . . . . 70 ALA H . 16189 1 636 . 1 1 70 70 ALA HA H 1 3.843 0.000 . 1 . . . . 70 ALA HA . 16189 1 637 . 1 1 70 70 ALA HB1 H 1 1.417 0.000 . 1 . . . . 70 ALA HB . 16189 1 638 . 1 1 70 70 ALA HB2 H 1 1.417 0.000 . 1 . . . . 70 ALA HB . 16189 1 639 . 1 1 70 70 ALA HB3 H 1 1.417 0.000 . 1 . . . . 70 ALA HB . 16189 1 640 . 1 1 70 70 ALA C C 13 177.821 0.000 . 1 . . . . 70 ALA C . 16189 1 641 . 1 1 70 70 ALA CA C 13 54.942 0.000 . 1 . . . . 70 ALA CA . 16189 1 642 . 1 1 70 70 ALA CB C 13 18.279 0.000 . 1 . . . . 70 ALA CB . 16189 1 643 . 1 1 70 70 ALA N N 15 119.473 0.000 . 1 . . . . 70 ALA N . 16189 1 644 . 1 1 71 71 LYS H H 1 7.231 0.000 . 1 . . . . 71 LYS H . 16189 1 645 . 1 1 71 71 LYS HA H 1 4.199 0.000 . 1 . . . . 71 LYS HA . 16189 1 646 . 1 1 71 71 LYS HB2 H 1 2.025 0.000 . 2 . . . . 71 LYS HB2 . 16189 1 647 . 1 1 71 71 LYS HB3 H 1 2.025 0.000 . 2 . . . . 71 LYS HB3 . 16189 1 648 . 1 1 71 71 LYS HD2 H 1 1.764 0.000 . 2 . . . . 71 LYS HD2 . 16189 1 649 . 1 1 71 71 LYS HD3 H 1 1.764 0.000 . 2 . . . . 71 LYS HD3 . 16189 1 650 . 1 1 71 71 LYS HE2 H 1 3.047 0.000 . 2 . . . . 71 LYS HE2 . 16189 1 651 . 1 1 71 71 LYS HE3 H 1 3.047 0.000 . 2 . . . . 71 LYS HE3 . 16189 1 652 . 1 1 71 71 LYS HG2 H 1 1.536 0.000 . 2 . . . . 71 LYS HG2 . 16189 1 653 . 1 1 71 71 LYS HG3 H 1 1.709 0.000 . 2 . . . . 71 LYS HG3 . 16189 1 654 . 1 1 71 71 LYS C C 13 178.462 0.000 . 1 . . . . 71 LYS C . 16189 1 655 . 1 1 71 71 LYS CA C 13 58.549 0.000 . 1 . . . . 71 LYS CA . 16189 1 656 . 1 1 71 71 LYS CB C 13 32.925 0.000 . 1 . . . . 71 LYS CB . 16189 1 657 . 1 1 71 71 LYS CD C 13 29.536 0.000 . 1 . . . . 71 LYS CD . 16189 1 658 . 1 1 71 71 LYS CE C 13 42.249 0.000 . 1 . . . . 71 LYS CE . 16189 1 659 . 1 1 71 71 LYS CG C 13 25.056 0.000 . 1 . . . . 71 LYS CG . 16189 1 660 . 1 1 71 71 LYS N N 15 113.983 0.000 . 1 . . . . 71 LYS N . 16189 1 661 . 1 1 72 72 THR H H 1 7.441 0.000 . 1 . . . . 72 THR H . 16189 1 662 . 1 1 72 72 THR HA H 1 4.369 0.000 . 1 . . . . 72 THR HA . 16189 1 663 . 1 1 72 72 THR HB H 1 4.399 0.000 . 1 . . . . 72 THR HB . 16189 1 664 . 1 1 72 72 THR HG21 H 1 1.219 0.000 . 1 . . . . 72 THR HG2 . 16189 1 665 . 1 1 72 72 THR HG22 H 1 1.219 0.000 . 1 . . . . 72 THR HG2 . 16189 1 666 . 1 1 72 72 THR HG23 H 1 1.219 0.000 . 1 . . . . 72 THR HG2 . 16189 1 667 . 1 1 72 72 THR C C 13 174.270 0.000 . 1 . . . . 72 THR C . 16189 1 668 . 1 1 72 72 THR CA C 13 61.985 0.000 . 1 . . . . 72 THR CA . 16189 1 669 . 1 1 72 72 THR CB C 13 69.611 0.000 . 1 . . . . 72 THR CB . 16189 1 670 . 1 1 72 72 THR CG2 C 13 21.758 0.000 . 1 . . . . 72 THR CG2 . 16189 1 671 . 1 1 72 72 THR N N 15 107.225 0.000 . 1 . . . . 72 THR N . 16189 1 672 . 1 1 73 73 ALA H H 1 7.852 0.000 . 1 . . . . 73 ALA H . 16189 1 673 . 1 1 73 73 ALA HA H 1 4.703 0.000 . 1 . . . . 73 ALA HA . 16189 1 674 . 1 1 73 73 ALA HB1 H 1 1.335 0.000 . 1 . . . . 73 ALA HB . 16189 1 675 . 1 1 73 73 ALA HB2 H 1 1.335 0.000 . 1 . . . . 73 ALA HB . 16189 1 676 . 1 1 73 73 ALA HB3 H 1 1.335 0.000 . 1 . . . . 73 ALA HB . 16189 1 677 . 1 1 73 73 ALA C C 13 175.839 0.000 . 1 . . . . 73 ALA C . 16189 1 678 . 1 1 73 73 ALA CA C 13 51.384 0.000 . 1 . . . . 73 ALA CA . 16189 1 679 . 1 1 73 73 ALA CB C 13 19.864 0.000 . 1 . . . . 73 ALA CB . 16189 1 680 . 1 1 73 73 ALA N N 15 125.801 0.000 . 1 . . . . 73 ALA N . 16189 1 681 . 1 1 74 74 ASN H H 1 8.493 0.000 . 1 . . . . 74 ASN H . 16189 1 682 . 1 1 74 74 ASN HA H 1 4.895 0.000 . 1 . . . . 74 ASN HA . 16189 1 683 . 1 1 74 74 ASN HB2 H 1 3.201 0.000 . 2 . . . . 74 ASN HB2 . 16189 1 684 . 1 1 74 74 ASN HB3 H 1 2.900 0.000 . 2 . . . . 74 ASN HB3 . 16189 1 685 . 1 1 74 74 ASN HD21 H 1 6.933 0.000 . 2 . . . . 74 ASN HD21 . 16189 1 686 . 1 1 74 74 ASN HD22 H 1 7.657 0.000 . 2 . . . . 74 ASN HD22 . 16189 1 687 . 1 1 74 74 ASN CA C 13 51.097 0.000 . 1 . . . . 74 ASN CA . 16189 1 688 . 1 1 74 74 ASN CB C 13 39.784 0.000 . 1 . . . . 74 ASN CB . 16189 1 689 . 1 1 74 74 ASN N N 15 119.294 0.000 . 1 . . . . 74 ASN N . 16189 1 690 . 1 1 74 74 ASN ND2 N 15 112.918 0.000 . 1 . . . . 74 ASN ND2 . 16189 1 691 . 1 1 75 75 LYS HA H 1 3.909 0.000 . 1 . . . . 75 LYS HA . 16189 1 692 . 1 1 75 75 LYS HB2 H 1 2.065 0.000 . 2 . . . . 75 LYS HB2 . 16189 1 693 . 1 1 75 75 LYS HB3 H 1 1.701 0.000 . 2 . . . . 75 LYS HB3 . 16189 1 694 . 1 1 75 75 LYS HD2 H 1 1.585 0.000 . 2 . . . . 75 LYS HD2 . 16189 1 695 . 1 1 75 75 LYS HD3 H 1 1.585 0.000 . 2 . . . . 75 LYS HD3 . 16189 1 696 . 1 1 75 75 LYS HE2 H 1 2.931 0.000 . 2 . . . . 75 LYS HE2 . 16189 1 697 . 1 1 75 75 LYS HE3 H 1 2.764 0.000 . 2 . . . . 75 LYS HE3 . 16189 1 698 . 1 1 75 75 LYS HG2 H 1 1.420 0.000 . 2 . . . . 75 LYS HG2 . 16189 1 699 . 1 1 75 75 LYS HG3 H 1 1.630 0.000 . 2 . . . . 75 LYS HG3 . 16189 1 700 . 1 1 75 75 LYS C C 13 177.876 0.000 . 1 . . . . 75 LYS C . 16189 1 701 . 1 1 75 75 LYS CA C 13 60.131 0.000 . 1 . . . . 75 LYS CA . 16189 1 702 . 1 1 75 75 LYS CB C 13 32.183 0.000 . 1 . . . . 75 LYS CB . 16189 1 703 . 1 1 75 75 LYS CD C 13 28.595 0.000 . 1 . . . . 75 LYS CD . 16189 1 704 . 1 1 75 75 LYS CE C 13 41.947 0.000 . 1 . . . . 75 LYS CE . 16189 1 705 . 1 1 75 75 LYS CG C 13 25.904 0.000 . 1 . . . . 75 LYS CG . 16189 1 706 . 1 1 76 76 ASP H H 1 8.378 0.000 . 1 . . . . 76 ASP H . 16189 1 707 . 1 1 76 76 ASP HA H 1 4.342 0.000 . 1 . . . . 76 ASP HA . 16189 1 708 . 1 1 76 76 ASP HB2 H 1 2.701 0.000 . 2 . . . . 76 ASP HB2 . 16189 1 709 . 1 1 76 76 ASP HB3 H 1 2.701 0.000 . 2 . . . . 76 ASP HB3 . 16189 1 710 . 1 1 76 76 ASP C C 13 178.884 0.000 . 1 . . . . 76 ASP C . 16189 1 711 . 1 1 76 76 ASP CA C 13 58.175 0.000 . 1 . . . . 76 ASP CA . 16189 1 712 . 1 1 76 76 ASP CB C 13 40.082 0.000 . 1 . . . . 76 ASP CB . 16189 1 713 . 1 1 76 76 ASP N N 15 118.660 0.000 . 1 . . . . 76 ASP N . 16189 1 714 . 1 1 77 77 HIS H H 1 8.069 0.000 . 1 . . . . 77 HIS H . 16189 1 715 . 1 1 77 77 HIS HA H 1 4.488 0.000 . 1 . . . . 77 HIS HA . 16189 1 716 . 1 1 77 77 HIS HB2 H 1 3.379 0.000 . 2 . . . . 77 HIS HB2 . 16189 1 717 . 1 1 77 77 HIS HB3 H 1 3.338 0.000 . 2 . . . . 77 HIS HB3 . 16189 1 718 . 1 1 77 77 HIS HD2 H 1 6.880 0.000 . 1 . . . . 77 HIS HD2 . 16189 1 719 . 1 1 77 77 HIS C C 13 178.487 0.000 . 1 . . . . 77 HIS C . 16189 1 720 . 1 1 77 77 HIS CA C 13 59.144 0.000 . 1 . . . . 77 HIS CA . 16189 1 721 . 1 1 77 77 HIS CB C 13 31.718 0.000 . 1 . . . . 77 HIS CB . 16189 1 722 . 1 1 77 77 HIS CD2 C 13 116.766 0.000 . 1 . . . . 77 HIS CD2 . 16189 1 723 . 1 1 77 77 HIS N N 15 120.004 0.000 . 1 . . . . 77 HIS N . 16189 1 724 . 1 1 78 78 LEU H H 1 7.921 0.000 . 1 . . . . 78 LEU H . 16189 1 725 . 1 1 78 78 LEU HA H 1 4.015 0.000 . 1 . . . . 78 LEU HA . 16189 1 726 . 1 1 78 78 LEU HB2 H 1 2.066 0.000 . 2 . . . . 78 LEU HB2 . 16189 1 727 . 1 1 78 78 LEU HB3 H 1 2.066 0.000 . 2 . . . . 78 LEU HB3 . 16189 1 728 . 1 1 78 78 LEU HD11 H 1 0.839 0.000 . 2 . . . . 78 LEU HD1 . 16189 1 729 . 1 1 78 78 LEU HD12 H 1 0.839 0.000 . 2 . . . . 78 LEU HD1 . 16189 1 730 . 1 1 78 78 LEU HD13 H 1 0.839 0.000 . 2 . . . . 78 LEU HD1 . 16189 1 731 . 1 1 78 78 LEU HD21 H 1 0.749 0.000 . 2 . . . . 78 LEU HD2 . 16189 1 732 . 1 1 78 78 LEU HD22 H 1 0.749 0.000 . 2 . . . . 78 LEU HD2 . 16189 1 733 . 1 1 78 78 LEU HD23 H 1 0.749 0.000 . 2 . . . . 78 LEU HD2 . 16189 1 734 . 1 1 78 78 LEU HG H 1 2.022 0.000 . 1 . . . . 78 LEU HG . 16189 1 735 . 1 1 78 78 LEU C C 13 178.251 0.000 . 1 . . . . 78 LEU C . 16189 1 736 . 1 1 78 78 LEU CA C 13 57.484 0.000 . 1 . . . . 78 LEU CA . 16189 1 737 . 1 1 78 78 LEU CB C 13 41.279 0.000 . 1 . . . . 78 LEU CB . 16189 1 738 . 1 1 78 78 LEU CD1 C 13 26.509 0.000 . 1 . . . . 78 LEU CD1 . 16189 1 739 . 1 1 78 78 LEU CD2 C 13 23.238 0.000 . 1 . . . . 78 LEU CD2 . 16189 1 740 . 1 1 78 78 LEU CG C 13 26.162 0.000 . 1 . . . . 78 LEU CG . 16189 1 741 . 1 1 78 78 LEU N N 15 118.355 0.000 . 1 . . . . 78 LEU N . 16189 1 742 . 1 1 79 79 VAL H H 1 8.762 0.000 . 1 . . . . 79 VAL H . 16189 1 743 . 1 1 79 79 VAL HA H 1 3.568 0.000 . 1 . . . . 79 VAL HA . 16189 1 744 . 1 1 79 79 VAL HB H 1 2.313 0.000 . 1 . . . . 79 VAL HB . 16189 1 745 . 1 1 79 79 VAL HG11 H 1 0.982 0.000 . 2 . . . . 79 VAL HG1 . 16189 1 746 . 1 1 79 79 VAL HG12 H 1 0.982 0.000 . 2 . . . . 79 VAL HG1 . 16189 1 747 . 1 1 79 79 VAL HG13 H 1 0.982 0.000 . 2 . . . . 79 VAL HG1 . 16189 1 748 . 1 1 79 79 VAL HG21 H 1 0.998 0.000 . 2 . . . . 79 VAL HG2 . 16189 1 749 . 1 1 79 79 VAL HG22 H 1 0.998 0.000 . 2 . . . . 79 VAL HG2 . 16189 1 750 . 1 1 79 79 VAL HG23 H 1 0.998 0.000 . 2 . . . . 79 VAL HG2 . 16189 1 751 . 1 1 79 79 VAL C C 13 177.672 0.000 . 1 . . . . 79 VAL C . 16189 1 752 . 1 1 79 79 VAL CA C 13 67.211 0.000 . 1 . . . . 79 VAL CA . 16189 1 753 . 1 1 79 79 VAL CB C 13 31.807 0.000 . 1 . . . . 79 VAL CB . 16189 1 754 . 1 1 79 79 VAL CG1 C 13 22.008 0.000 . 1 . . . . 79 VAL CG1 . 16189 1 755 . 1 1 79 79 VAL CG2 C 13 23.348 0.000 . 1 . . . . 79 VAL CG2 . 16189 1 756 . 1 1 79 79 VAL N N 15 121.024 0.000 . 1 . . . . 79 VAL N . 16189 1 757 . 1 1 80 80 THR H H 1 7.871 0.000 . 1 . . . . 80 THR H . 16189 1 758 . 1 1 80 80 THR HA H 1 3.967 0.000 . 1 . . . . 80 THR HA . 16189 1 759 . 1 1 80 80 THR HB H 1 4.297 0.000 . 1 . . . . 80 THR HB . 16189 1 760 . 1 1 80 80 THR HG21 H 1 1.166 0.000 . 1 . . . . 80 THR HG2 . 16189 1 761 . 1 1 80 80 THR HG22 H 1 1.166 0.000 . 1 . . . . 80 THR HG2 . 16189 1 762 . 1 1 80 80 THR HG23 H 1 1.166 0.000 . 1 . . . . 80 THR HG2 . 16189 1 763 . 1 1 80 80 THR C C 13 176.648 0.000 . 1 . . . . 80 THR C . 16189 1 764 . 1 1 80 80 THR CA C 13 66.685 0.000 . 1 . . . . 80 THR CA . 16189 1 765 . 1 1 80 80 THR CB C 13 68.378 0.000 . 1 . . . . 80 THR CB . 16189 1 766 . 1 1 80 80 THR CG2 C 13 21.997 0.000 . 1 . . . . 80 THR CG2 . 16189 1 767 . 1 1 80 80 THR N N 15 115.751 0.000 . 1 . . . . 80 THR N . 16189 1 768 . 1 1 81 81 ALA H H 1 8.259 0.000 . 1 . . . . 81 ALA H . 16189 1 769 . 1 1 81 81 ALA HA H 1 3.558 0.000 . 1 . . . . 81 ALA HA . 16189 1 770 . 1 1 81 81 ALA HB1 H 1 1.174 0.000 . 1 . . . . 81 ALA HB . 16189 1 771 . 1 1 81 81 ALA HB2 H 1 1.174 0.000 . 1 . . . . 81 ALA HB . 16189 1 772 . 1 1 81 81 ALA HB3 H 1 1.174 0.000 . 1 . . . . 81 ALA HB . 16189 1 773 . 1 1 81 81 ALA C C 13 178.122 0.000 . 1 . . . . 81 ALA C . 16189 1 774 . 1 1 81 81 ALA CA C 13 55.562 0.000 . 1 . . . . 81 ALA CA . 16189 1 775 . 1 1 81 81 ALA CB C 13 18.462 0.000 . 1 . . . . 81 ALA CB . 16189 1 776 . 1 1 81 81 ALA N N 15 123.175 0.000 . 1 . . . . 81 ALA N . 16189 1 777 . 1 1 82 82 TYR H H 1 8.848 0.000 . 1 . . . . 82 TYR H . 16189 1 778 . 1 1 82 82 TYR HA H 1 4.212 0.000 . 1 . . . . 82 TYR HA . 16189 1 779 . 1 1 82 82 TYR HB2 H 1 3.381 0.000 . 2 . . . . 82 TYR HB2 . 16189 1 780 . 1 1 82 82 TYR HB3 H 1 3.084 0.000 . 2 . . . . 82 TYR HB3 . 16189 1 781 . 1 1 82 82 TYR HD1 H 1 7.172 0.000 . 1 . . . . 82 TYR HD1 . 16189 1 782 . 1 1 82 82 TYR HD2 H 1 7.172 0.000 . 1 . . . . 82 TYR HD2 . 16189 1 783 . 1 1 82 82 TYR HE1 H 1 6.676 0.000 . 1 . . . . 82 TYR HE1 . 16189 1 784 . 1 1 82 82 TYR HE2 H 1 6.676 0.000 . 1 . . . . 82 TYR HE2 . 16189 1 785 . 1 1 82 82 TYR C C 13 176.833 0.000 . 1 . . . . 82 TYR C . 16189 1 786 . 1 1 82 82 TYR CA C 13 62.678 0.000 . 1 . . . . 82 TYR CA . 16189 1 787 . 1 1 82 82 TYR CB C 13 39.338 0.000 . 1 . . . . 82 TYR CB . 16189 1 788 . 1 1 82 82 TYR CD1 C 13 133.180 0.000 . 1 . . . . 82 TYR CD1 . 16189 1 789 . 1 1 82 82 TYR CD2 C 13 133.180 0.000 . 1 . . . . 82 TYR CD2 . 16189 1 790 . 1 1 82 82 TYR CE1 C 13 119.488 0.000 . 1 . . . . 82 TYR CE1 . 16189 1 791 . 1 1 82 82 TYR CE2 C 13 119.488 0.000 . 1 . . . . 82 TYR CE2 . 16189 1 792 . 1 1 82 82 TYR N N 15 120.000 0.000 . 1 . . . . 82 TYR N . 16189 1 793 . 1 1 83 83 ASN H H 1 8.661 0.000 . 1 . . . . 83 ASN H . 16189 1 794 . 1 1 83 83 ASN HA H 1 4.651 0.000 . 1 . . . . 83 ASN HA . 16189 1 795 . 1 1 83 83 ASN HB2 H 1 3.094 0.000 . 2 . . . . 83 ASN HB2 . 16189 1 796 . 1 1 83 83 ASN HB3 H 1 3.023 0.000 . 2 . . . . 83 ASN HB3 . 16189 1 797 . 1 1 83 83 ASN HD21 H 1 6.014 0.000 . 2 . . . . 83 ASN HD21 . 16189 1 798 . 1 1 83 83 ASN HD22 H 1 7.795 0.000 . 2 . . . . 83 ASN HD22 . 16189 1 799 . 1 1 83 83 ASN C C 13 178.839 0.000 . 1 . . . . 83 ASN C . 16189 1 800 . 1 1 83 83 ASN CA C 13 56.247 0.000 . 1 . . . . 83 ASN CA . 16189 1 801 . 1 1 83 83 ASN CB C 13 37.416 0.000 . 1 . . . . 83 ASN CB . 16189 1 802 . 1 1 83 83 ASN N N 15 116.093 0.000 . 1 . . . . 83 ASN N . 16189 1 803 . 1 1 83 83 ASN ND2 N 15 110.259 0.000 . 1 . . . . 83 ASN ND2 . 16189 1 804 . 1 1 84 84 HIS H H 1 8.922 0.000 . 1 . . . . 84 HIS H . 16189 1 805 . 1 1 84 84 HIS HA H 1 4.632 0.000 . 1 . . . . 84 HIS HA . 16189 1 806 . 1 1 84 84 HIS HB2 H 1 3.579 0.000 . 2 . . . . 84 HIS HB2 . 16189 1 807 . 1 1 84 84 HIS HB3 H 1 3.472 0.000 . 2 . . . . 84 HIS HB3 . 16189 1 808 . 1 1 84 84 HIS C C 13 178.642 0.000 . 1 . . . . 84 HIS C . 16189 1 809 . 1 1 84 84 HIS CA C 13 58.623 0.000 . 1 . . . . 84 HIS CA . 16189 1 810 . 1 1 84 84 HIS CB C 13 30.787 0.000 . 1 . . . . 84 HIS CB . 16189 1 811 . 1 1 84 84 HIS N N 15 120.065 0.000 . 1 . . . . 84 HIS N . 16189 1 812 . 1 1 85 85 LEU H H 1 8.617 0.000 . 1 . . . . 85 LEU H . 16189 1 813 . 1 1 85 85 LEU HA H 1 2.990 0.000 . 1 . . . . 85 LEU HA . 16189 1 814 . 1 1 85 85 LEU HB2 H 1 1.653 0.000 . 2 . . . . 85 LEU HB2 . 16189 1 815 . 1 1 85 85 LEU HB3 H 1 0.925 0.000 . 2 . . . . 85 LEU HB3 . 16189 1 816 . 1 1 85 85 LEU HD11 H 1 0.321 0.000 . 2 . . . . 85 LEU HD1 . 16189 1 817 . 1 1 85 85 LEU HD12 H 1 0.321 0.000 . 2 . . . . 85 LEU HD1 . 16189 1 818 . 1 1 85 85 LEU HD13 H 1 0.321 0.000 . 2 . . . . 85 LEU HD1 . 16189 1 819 . 1 1 85 85 LEU HD21 H 1 -0.591 0.000 . 2 . . . . 85 LEU HD2 . 16189 1 820 . 1 1 85 85 LEU HD22 H 1 -0.591 0.000 . 2 . . . . 85 LEU HD2 . 16189 1 821 . 1 1 85 85 LEU HD23 H 1 -0.591 0.000 . 2 . . . . 85 LEU HD2 . 16189 1 822 . 1 1 85 85 LEU HG H 1 0.246 0.000 . 1 . . . . 85 LEU HG . 16189 1 823 . 1 1 85 85 LEU C C 13 177.190 0.000 . 1 . . . . 85 LEU C . 16189 1 824 . 1 1 85 85 LEU CA C 13 58.501 0.000 . 1 . . . . 85 LEU CA . 16189 1 825 . 1 1 85 85 LEU CB C 13 39.341 0.000 . 1 . . . . 85 LEU CB . 16189 1 826 . 1 1 85 85 LEU CD1 C 13 25.786 0.000 . 1 . . . . 85 LEU CD1 . 16189 1 827 . 1 1 85 85 LEU CD2 C 13 22.247 0.000 . 1 . . . . 85 LEU CD2 . 16189 1 828 . 1 1 85 85 LEU CG C 13 25.626 0.000 . 1 . . . . 85 LEU CG . 16189 1 829 . 1 1 85 85 LEU N N 15 123.894 0.000 . 1 . . . . 85 LEU N . 16189 1 830 . 1 1 86 86 PHE H H 1 6.994 0.000 . 1 . . . . 86 PHE H . 16189 1 831 . 1 1 86 86 PHE HA H 1 3.952 0.000 . 1 . . . . 86 PHE HA . 16189 1 832 . 1 1 86 86 PHE HB2 H 1 3.280 0.000 . 2 . . . . 86 PHE HB2 . 16189 1 833 . 1 1 86 86 PHE HB3 H 1 2.767 0.000 . 2 . . . . 86 PHE HB3 . 16189 1 834 . 1 1 86 86 PHE HD1 H 1 7.323 0.000 . 1 . . . . 86 PHE HD1 . 16189 1 835 . 1 1 86 86 PHE HD2 H 1 7.323 0.000 . 1 . . . . 86 PHE HD2 . 16189 1 836 . 1 1 86 86 PHE HE1 H 1 6.766 0.000 . 1 . . . . 86 PHE HE1 . 16189 1 837 . 1 1 86 86 PHE HE2 H 1 6.766 0.000 . 1 . . . . 86 PHE HE2 . 16189 1 838 . 1 1 86 86 PHE HZ H 1 6.975 0.000 . 1 . . . . 86 PHE HZ . 16189 1 839 . 1 1 86 86 PHE C C 13 177.882 0.000 . 1 . . . . 86 PHE C . 16189 1 840 . 1 1 86 86 PHE CA C 13 62.514 0.000 . 1 . . . . 86 PHE CA . 16189 1 841 . 1 1 86 86 PHE CB C 13 39.511 0.000 . 1 . . . . 86 PHE CB . 16189 1 842 . 1 1 86 86 PHE CD1 C 13 131.570 0.000 . 1 . . . . 86 PHE CD1 . 16189 1 843 . 1 1 86 86 PHE CD2 C 13 131.570 0.000 . 1 . . . . 86 PHE CD2 . 16189 1 844 . 1 1 86 86 PHE CE1 C 13 131.725 0.000 . 1 . . . . 86 PHE CE1 . 16189 1 845 . 1 1 86 86 PHE CE2 C 13 131.725 0.000 . 1 . . . . 86 PHE CE2 . 16189 1 846 . 1 1 86 86 PHE CZ C 13 128.350 0.000 . 1 . . . . 86 PHE CZ . 16189 1 847 . 1 1 86 86 PHE N N 15 113.121 0.000 . 1 . . . . 86 PHE N . 16189 1 848 . 1 1 87 87 GLU H H 1 8.419 0.000 . 1 . . . . 87 GLU H . 16189 1 849 . 1 1 87 87 GLU HA H 1 4.200 0.000 . 1 . . . . 87 GLU HA . 16189 1 850 . 1 1 87 87 GLU HB2 H 1 2.148 0.000 . 2 . . . . 87 GLU HB2 . 16189 1 851 . 1 1 87 87 GLU HB3 H 1 2.256 0.000 . 2 . . . . 87 GLU HB3 . 16189 1 852 . 1 1 87 87 GLU HG2 H 1 2.454 0.000 . 2 . . . . 87 GLU HG2 . 16189 1 853 . 1 1 87 87 GLU HG3 H 1 2.310 0.000 . 2 . . . . 87 GLU HG3 . 16189 1 854 . 1 1 87 87 GLU C C 13 178.563 0.000 . 1 . . . . 87 GLU C . 16189 1 855 . 1 1 87 87 GLU CA C 13 59.120 0.000 . 1 . . . . 87 GLU CA . 16189 1 856 . 1 1 87 87 GLU CB C 13 30.489 0.000 . 1 . . . . 87 GLU CB . 16189 1 857 . 1 1 87 87 GLU CG C 13 36.091 0.000 . 1 . . . . 87 GLU CG . 16189 1 858 . 1 1 87 87 GLU N N 15 119.755 0.000 . 1 . . . . 87 GLU N . 16189 1 859 . 1 1 88 88 THR H H 1 7.925 0.000 . 1 . . . . 88 THR H . 16189 1 860 . 1 1 88 88 THR HA H 1 4.206 0.000 . 1 . . . . 88 THR HA . 16189 1 861 . 1 1 88 88 THR HB H 1 4.064 0.000 . 1 . . . . 88 THR HB . 16189 1 862 . 1 1 88 88 THR HG21 H 1 1.140 0.000 . 1 . . . . 88 THR HG2 . 16189 1 863 . 1 1 88 88 THR HG22 H 1 1.140 0.000 . 1 . . . . 88 THR HG2 . 16189 1 864 . 1 1 88 88 THR HG23 H 1 1.140 0.000 . 1 . . . . 88 THR HG2 . 16189 1 865 . 1 1 88 88 THR C C 13 175.030 0.000 . 1 . . . . 88 THR C . 16189 1 866 . 1 1 88 88 THR CA C 13 62.422 0.000 . 1 . . . . 88 THR CA . 16189 1 867 . 1 1 88 88 THR CB C 13 70.812 0.000 . 1 . . . . 88 THR CB . 16189 1 868 . 1 1 88 88 THR CG2 C 13 21.554 0.000 . 1 . . . . 88 THR CG2 . 16189 1 869 . 1 1 88 88 THR N N 15 106.136 0.000 . 1 . . . . 88 THR N . 16189 1 870 . 1 1 89 89 LYS H H 1 7.723 0.000 . 1 . . . . 89 LYS H . 16189 1 871 . 1 1 89 89 LYS HA H 1 3.035 0.000 . 1 . . . . 89 LYS HA . 16189 1 872 . 1 1 89 89 LYS HB2 H 1 2.002 0.000 . 2 . . . . 89 LYS HB2 . 16189 1 873 . 1 1 89 89 LYS HB3 H 1 1.732 0.000 . 2 . . . . 89 LYS HB3 . 16189 1 874 . 1 1 89 89 LYS HD2 H 1 1.857 0.000 . 2 . . . . 89 LYS HD2 . 16189 1 875 . 1 1 89 89 LYS HD3 H 1 1.776 0.000 . 2 . . . . 89 LYS HD3 . 16189 1 876 . 1 1 89 89 LYS HE2 H 1 3.128 0.000 . 2 . . . . 89 LYS HE2 . 16189 1 877 . 1 1 89 89 LYS HE3 H 1 3.128 0.000 . 2 . . . . 89 LYS HE3 . 16189 1 878 . 1 1 89 89 LYS HG2 H 1 1.360 0.000 . 2 . . . . 89 LYS HG2 . 16189 1 879 . 1 1 89 89 LYS HG3 H 1 1.360 0.000 . 2 . . . . 89 LYS HG3 . 16189 1 880 . 1 1 89 89 LYS C C 13 176.913 0.000 . 1 . . . . 89 LYS C . 16189 1 881 . 1 1 89 89 LYS CA C 13 56.788 0.000 . 1 . . . . 89 LYS CA . 16189 1 882 . 1 1 89 89 LYS CB C 13 28.624 0.000 . 1 . . . . 89 LYS CB . 16189 1 883 . 1 1 89 89 LYS CD C 13 29.502 0.000 . 1 . . . . 89 LYS CD . 16189 1 884 . 1 1 89 89 LYS CE C 13 42.543 0.000 . 1 . . . . 89 LYS CE . 16189 1 885 . 1 1 89 89 LYS CG C 13 25.130 0.000 . 1 . . . . 89 LYS CG . 16189 1 886 . 1 1 89 89 LYS N N 15 117.845 0.000 . 1 . . . . 89 LYS N . 16189 1 887 . 1 1 90 90 ARG H H 1 6.332 0.000 . 1 . . . . 90 ARG H . 16189 1 888 . 1 1 90 90 ARG HA H 1 4.336 0.000 . 1 . . . . 90 ARG HA . 16189 1 889 . 1 1 90 90 ARG HB2 H 1 2.129 0.000 . 2 . . . . 90 ARG HB2 . 16189 1 890 . 1 1 90 90 ARG HB3 H 1 2.129 0.000 . 2 . . . . 90 ARG HB3 . 16189 1 891 . 1 1 90 90 ARG HD2 H 1 3.319 0.000 . 2 . . . . 90 ARG HD2 . 16189 1 892 . 1 1 90 90 ARG HD3 H 1 3.125 0.000 . 2 . . . . 90 ARG HD3 . 16189 1 893 . 1 1 90 90 ARG HG2 H 1 1.548 0.000 . 2 . . . . 90 ARG HG2 . 16189 1 894 . 1 1 90 90 ARG HG3 H 1 1.483 0.000 . 2 . . . . 90 ARG HG3 . 16189 1 895 . 1 1 90 90 ARG C C 13 174.488 0.000 . 1 . . . . 90 ARG C . 16189 1 896 . 1 1 90 90 ARG CA C 13 55.547 0.000 . 1 . . . . 90 ARG CA . 16189 1 897 . 1 1 90 90 ARG CB C 13 28.525 0.000 . 1 . . . . 90 ARG CB . 16189 1 898 . 1 1 90 90 ARG CD C 13 44.376 0.000 . 1 . . . . 90 ARG CD . 16189 1 899 . 1 1 90 90 ARG CG C 13 26.382 0.000 . 1 . . . . 90 ARG CG . 16189 1 900 . 1 1 90 90 ARG N N 15 122.103 0.000 . 1 . . . . 90 ARG N . 16189 1 901 . 1 1 91 91 PHE H H 1 7.137 0.000 . 1 . . . . 91 PHE H . 16189 1 902 . 1 1 91 91 PHE HA H 1 4.953 0.000 . 1 . . . . 91 PHE HA . 16189 1 903 . 1 1 91 91 PHE HB2 H 1 3.497 0.000 . 2 . . . . 91 PHE HB2 . 16189 1 904 . 1 1 91 91 PHE HB3 H 1 2.627 0.000 . 2 . . . . 91 PHE HB3 . 16189 1 905 . 1 1 91 91 PHE HD1 H 1 7.052 0.000 . 1 . . . . 91 PHE HD1 . 16189 1 906 . 1 1 91 91 PHE HD2 H 1 7.052 0.000 . 1 . . . . 91 PHE HD2 . 16189 1 907 . 1 1 91 91 PHE HE1 H 1 6.658 0.000 . 1 . . . . 91 PHE HE1 . 16189 1 908 . 1 1 91 91 PHE HE2 H 1 6.658 0.000 . 1 . . . . 91 PHE HE2 . 16189 1 909 . 1 1 91 91 PHE C C 13 176.575 0.000 . 1 . . . . 91 PHE C . 16189 1 910 . 1 1 91 91 PHE CA C 13 56.312 0.000 . 1 . . . . 91 PHE CA . 16189 1 911 . 1 1 91 91 PHE CB C 13 40.511 0.000 . 1 . . . . 91 PHE CB . 16189 1 912 . 1 1 91 91 PHE CD1 C 13 131.071 0.000 . 1 . . . . 91 PHE CD1 . 16189 1 913 . 1 1 91 91 PHE CD2 C 13 131.071 0.000 . 1 . . . . 91 PHE CD2 . 16189 1 914 . 1 1 91 91 PHE CE1 C 13 130.952 0.000 . 1 . . . . 91 PHE CE1 . 16189 1 915 . 1 1 91 91 PHE CE2 C 13 130.952 0.000 . 1 . . . . 91 PHE CE2 . 16189 1 916 . 1 1 91 91 PHE N N 15 118.562 0.000 . 1 . . . . 91 PHE N . 16189 1 917 . 1 1 92 92 LYS H H 1 7.846 0.000 . 1 . . . . 92 LYS H . 16189 1 918 . 1 1 92 92 LYS N N 15 126.474 0.000 . 1 . . . . 92 LYS N . 16189 1 stop_ save_