################################### # 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 18380 _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 0.02 _Assigned_chem_shift_list.Chem_shift_13C_err 0.2 _Assigned_chem_shift_list.Chem_shift_15N_err 0.2 _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' . . . 18380 1 2 '3D HNCO' . . . 18380 1 3 '3D HN(CA)CO' . . . 18380 1 4 '3D HNCA' . . . 18380 1 5 '3D HN(CO)CA' . . . 18380 1 6 '3D CBCA(CO)NH' . . . 18380 1 7 '3D HNCACB' . . . 18380 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 3 3 MET HA H 1 4.440 0.02 . 1 . . . . 43 MET HA . 18380 1 2 . 1 1 3 3 MET HB2 H 1 1.987 0.02 . 2 . . . . 43 MET HB2 . 18380 1 3 . 1 1 3 3 MET HB3 H 1 1.987 0.02 . 2 . . . . 43 MET HB3 . 18380 1 4 . 1 1 3 3 MET C C 13 175.468 0.20 . 1 . . . . 43 MET C . 18380 1 5 . 1 1 3 3 MET CA C 13 55.333 0.20 . 1 . . . . 43 MET CA . 18380 1 6 . 1 1 3 3 MET CB C 13 32.965 0.20 . 1 . . . . 43 MET CB . 18380 1 7 . 1 1 4 4 ALA H H 1 8.424 0.02 . 1 . . . . 44 ALA H . 18380 1 8 . 1 1 4 4 ALA HA H 1 4.392 0.02 . 1 . . . . 44 ALA HA . 18380 1 9 . 1 1 4 4 ALA HB1 H 1 1.388 0.02 . 1 . . . . 44 ALA HB . 18380 1 10 . 1 1 4 4 ALA HB2 H 1 1.388 0.02 . 1 . . . . 44 ALA HB . 18380 1 11 . 1 1 4 4 ALA HB3 H 1 1.388 0.02 . 1 . . . . 44 ALA HB . 18380 1 12 . 1 1 4 4 ALA C C 13 177.647 0.20 . 1 . . . . 44 ALA C . 18380 1 13 . 1 1 4 4 ALA CA C 13 52.450 0.20 . 1 . . . . 44 ALA CA . 18380 1 14 . 1 1 4 4 ALA CB C 13 19.094 0.20 . 1 . . . . 44 ALA CB . 18380 1 15 . 1 1 4 4 ALA N N 15 126.134 0.20 . 1 . . . . 44 ALA N . 18380 1 16 . 1 1 5 5 THR H H 1 8.317 0.02 . 1 . . . . 45 THR H . 18380 1 17 . 1 1 5 5 THR C C 13 173.263 0.20 . 1 . . . . 45 THR C . 18380 1 18 . 1 1 5 5 THR CA C 13 60.020 0.20 . 1 . . . . 45 THR CA . 18380 1 19 . 1 1 5 5 THR CB C 13 69.976 0.20 . 1 . . . . 45 THR CB . 18380 1 20 . 1 1 5 5 THR N N 15 116.089 0.20 . 1 . . . . 45 THR N . 18380 1 21 . 1 1 6 6 PRO HA H 1 4.386 0.02 . 1 . . . . 46 PRO HA . 18380 1 22 . 1 1 6 6 PRO HB2 H 1 2.335 0.02 . 2 . . . . 46 PRO HB2 . 18380 1 23 . 1 1 6 6 PRO HB3 H 1 1.933 0.02 . 2 . . . . 46 PRO HB3 . 18380 1 24 . 1 1 6 6 PRO C C 13 177.384 0.20 . 1 . . . . 46 PRO C . 18380 1 25 . 1 1 6 6 PRO CA C 13 63.836 0.20 . 1 . . . . 46 PRO CA . 18380 1 26 . 1 1 6 6 PRO CB C 13 31.910 0.20 . 1 . . . . 46 PRO CB . 18380 1 27 . 1 1 7 7 GLN H H 1 8.464 0.02 . 1 . . . . 47 GLN H . 18380 1 28 . 1 1 7 7 GLN HE21 H 1 7.563 0.02 . 2 . . . . 47 GLN HE21 . 18380 1 29 . 1 1 7 7 GLN HE22 H 1 6.887 0.02 . 2 . . . . 47 GLN HE22 . 18380 1 30 . 1 1 7 7 GLN C C 13 176.178 0.20 . 1 . . . . 47 GLN C . 18380 1 31 . 1 1 7 7 GLN CA C 13 56.473 0.20 . 1 . . . . 47 GLN CA . 18380 1 32 . 1 1 7 7 GLN CB C 13 29.189 0.20 . 1 . . . . 47 GLN CB . 18380 1 33 . 1 1 7 7 GLN N N 15 119.938 0.20 . 1 . . . . 47 GLN N . 18380 1 34 . 1 1 7 7 GLN NE2 N 15 112.778 0.20 . 1 . . . . 47 GLN NE2 . 18380 1 35 . 1 1 8 8 ASP H H 1 8.268 0.02 . 1 . . . . 48 ASP H . 18380 1 36 . 1 1 8 8 ASP HA H 1 4.538 0.02 . 1 . . . . 48 ASP HA . 18380 1 37 . 1 1 8 8 ASP HB2 H 1 2.704 0.02 . 2 . . . . 48 ASP HB2 . 18380 1 38 . 1 1 8 8 ASP HB3 H 1 2.704 0.02 . 2 . . . . 48 ASP HB3 . 18380 1 39 . 1 1 8 8 ASP C C 13 176.606 0.20 . 1 . . . . 48 ASP C . 18380 1 40 . 1 1 8 8 ASP CA C 13 54.729 0.20 . 1 . . . . 48 ASP CA . 18380 1 41 . 1 1 8 8 ASP CB C 13 41.150 0.20 . 1 . . . . 48 ASP CB . 18380 1 42 . 1 1 8 8 ASP N N 15 120.946 0.20 . 1 . . . . 48 ASP N . 18380 1 43 . 1 1 9 9 LYS H H 1 8.186 0.02 . 1 . . . . 49 LYS H . 18380 1 44 . 1 1 9 9 LYS HA H 1 4.259 0.02 . 1 . . . . 49 LYS HA . 18380 1 45 . 1 1 9 9 LYS HB2 H 1 1.802 0.02 . 2 . . . . 49 LYS HB2 . 18380 1 46 . 1 1 9 9 LYS HB3 H 1 1.802 0.02 . 2 . . . . 49 LYS HB3 . 18380 1 47 . 1 1 9 9 LYS C C 13 176.661 0.20 . 1 . . . . 49 LYS C . 18380 1 48 . 1 1 9 9 LYS CA C 13 56.662 0.20 . 1 . . . . 49 LYS CA . 18380 1 49 . 1 1 9 9 LYS CB C 13 32.647 0.20 . 1 . . . . 49 LYS CB . 18380 1 50 . 1 1 9 9 LYS N N 15 120.745 0.20 . 1 . . . . 49 LYS N . 18380 1 51 . 1 1 10 10 LEU H H 1 8.025 0.02 . 1 . . . . 50 LEU H . 18380 1 52 . 1 1 10 10 LEU HA H 1 4.268 0.02 . 1 . . . . 50 LEU HA . 18380 1 53 . 1 1 10 10 LEU HB2 H 1 1.521 0.02 . 2 . . . . 50 LEU HB2 . 18380 1 54 . 1 1 10 10 LEU HB3 H 1 1.521 0.02 . 2 . . . . 50 LEU HB3 . 18380 1 55 . 1 1 10 10 LEU C C 13 177.131 0.20 . 1 . . . . 50 LEU C . 18380 1 56 . 1 1 10 10 LEU CA C 13 55.436 0.20 . 1 . . . . 50 LEU CA . 18380 1 57 . 1 1 10 10 LEU CB C 13 42.422 0.20 . 1 . . . . 50 LEU CB . 18380 1 58 . 1 1 10 10 LEU N N 15 121.355 0.20 . 1 . . . . 50 LEU N . 18380 1 59 . 1 1 11 11 HIS H H 1 8.293 0.02 . 1 . . . . 51 HIS H . 18380 1 60 . 1 1 11 11 HIS HA H 1 4.711 0.02 . 1 . . . . 51 HIS HA . 18380 1 61 . 1 1 11 11 HIS HB2 H 1 3.186 0.02 . 2 . . . . 51 HIS HB2 . 18380 1 62 . 1 1 11 11 HIS HB3 H 1 3.186 0.02 . 2 . . . . 51 HIS HB3 . 18380 1 63 . 1 1 11 11 HIS C C 13 174.935 0.20 . 1 . . . . 51 HIS C . 18380 1 64 . 1 1 11 11 HIS CA C 13 56.035 0.20 . 1 . . . . 51 HIS CA . 18380 1 65 . 1 1 11 11 HIS CB C 13 29.773 0.20 . 1 . . . . 51 HIS CB . 18380 1 66 . 1 1 11 11 HIS N N 15 119.883 0.20 . 1 . . . . 51 HIS N . 18380 1 67 . 1 1 12 12 THR H H 1 8.102 0.02 . 1 . . . . 52 THR H . 18380 1 68 . 1 1 12 12 THR C C 13 173.872 0.20 . 1 . . . . 52 THR C . 18380 1 69 . 1 1 12 12 THR CA C 13 62.424 0.20 . 1 . . . . 52 THR CA . 18380 1 70 . 1 1 12 12 THR CB C 13 70.333 0.20 . 1 . . . . 52 THR CB . 18380 1 71 . 1 1 12 12 THR N N 15 117.052 0.20 . 1 . . . . 52 THR N . 18380 1 72 . 1 1 13 13 VAL H H 1 9.052 0.02 . 1 . . . . 53 VAL H . 18380 1 73 . 1 1 13 13 VAL C C 13 174.151 0.20 . 1 . . . . 53 VAL C . 18380 1 74 . 1 1 13 13 VAL CA C 13 61.678 0.20 . 1 . . . . 53 VAL CA . 18380 1 75 . 1 1 13 13 VAL CB C 13 34.235 0.20 . 1 . . . . 53 VAL CB . 18380 1 76 . 1 1 13 13 VAL N N 15 124.047 0.20 . 1 . . . . 53 VAL N . 18380 1 77 . 1 1 14 14 ARG H H 1 8.360 0.02 . 1 . . . . 54 ARG H . 18380 1 78 . 1 1 14 14 ARG HA H 1 5.487 0.02 . 1 . . . . 54 ARG HA . 18380 1 79 . 1 1 14 14 ARG HB2 H 1 1.692 0.02 . 2 . . . . 54 ARG HB2 . 18380 1 80 . 1 1 14 14 ARG HB3 H 1 1.692 0.02 . 2 . . . . 54 ARG HB3 . 18380 1 81 . 1 1 14 14 ARG C C 13 175.361 0.20 . 1 . . . . 54 ARG C . 18380 1 82 . 1 1 14 14 ARG CA C 13 54.515 0.20 . 1 . . . . 54 ARG CA . 18380 1 83 . 1 1 14 14 ARG CB C 13 32.635 0.20 . 1 . . . . 54 ARG CB . 18380 1 84 . 1 1 14 14 ARG N N 15 125.277 0.20 . 1 . . . . 54 ARG N . 18380 1 85 . 1 1 15 15 LEU H H 1 8.797 0.02 . 1 . . . . 55 LEU H . 18380 1 86 . 1 1 15 15 LEU HA H 1 4.694 0.02 . 1 . . . . 55 LEU HA . 18380 1 87 . 1 1 15 15 LEU HB2 H 1 1.033 0.02 . 2 . . . . 55 LEU HB2 . 18380 1 88 . 1 1 15 15 LEU HB3 H 1 1.033 0.02 . 2 . . . . 55 LEU HB3 . 18380 1 89 . 1 1 15 15 LEU C C 13 174.277 0.20 . 1 . . . . 55 LEU C . 18380 1 90 . 1 1 15 15 LEU CA C 13 53.309 0.20 . 1 . . . . 55 LEU CA . 18380 1 91 . 1 1 15 15 LEU CB C 13 45.825 0.20 . 1 . . . . 55 LEU CB . 18380 1 92 . 1 1 15 15 LEU N N 15 124.738 0.20 . 1 . . . . 55 LEU N . 18380 1 93 . 1 1 16 16 PHE H H 1 8.258 0.02 . 1 . . . . 56 PHE H . 18380 1 94 . 1 1 16 16 PHE HA H 1 5.510 0.02 . 1 . . . . 56 PHE HA . 18380 1 95 . 1 1 16 16 PHE HB2 H 1 3.044 0.02 . 2 . . . . 56 PHE HB2 . 18380 1 96 . 1 1 16 16 PHE HB3 H 1 3.044 0.02 . 2 . . . . 56 PHE HB3 . 18380 1 97 . 1 1 16 16 PHE C C 13 175.531 0.20 . 1 . . . . 56 PHE C . 18380 1 98 . 1 1 16 16 PHE CA C 13 55.102 0.20 . 1 . . . . 56 PHE CA . 18380 1 99 . 1 1 16 16 PHE CB C 13 42.451 0.20 . 1 . . . . 56 PHE CB . 18380 1 100 . 1 1 16 16 PHE N N 15 118.446 0.20 . 1 . . . . 56 PHE N . 18380 1 101 . 1 1 17 17 GLY H H 1 8.059 0.02 . 1 . . . . 57 GLY H . 18380 1 102 . 1 1 17 17 GLY HA2 H 1 4.222 0.02 . 2 . . . . 57 GLY HA2 . 18380 1 103 . 1 1 17 17 GLY HA3 H 1 4.044 0.02 . 2 . . . . 57 GLY HA3 . 18380 1 104 . 1 1 17 17 GLY C C 13 171.144 0.20 . 1 . . . . 57 GLY C . 18380 1 105 . 1 1 17 17 GLY CA C 13 45.970 0.20 . 1 . . . . 57 GLY CA . 18380 1 106 . 1 1 17 17 GLY N N 15 109.250 0.20 . 1 . . . . 57 GLY N . 18380 1 107 . 1 1 18 18 THR H H 1 8.693 0.02 . 1 . . . . 58 THR H . 18380 1 108 . 1 1 18 18 THR C C 13 174.640 0.20 . 1 . . . . 58 THR C . 18380 1 109 . 1 1 18 18 THR CA C 13 60.447 0.20 . 1 . . . . 58 THR CA . 18380 1 110 . 1 1 18 18 THR CB C 13 71.245 0.20 . 1 . . . . 58 THR CB . 18380 1 111 . 1 1 18 18 THR N N 15 113.048 0.20 . 1 . . . . 58 THR N . 18380 1 112 . 1 1 19 19 VAL H H 1 8.002 0.02 . 1 . . . . 59 VAL H . 18380 1 113 . 1 1 19 19 VAL HA H 1 3.860 0.02 . 1 . . . . 59 VAL HA . 18380 1 114 . 1 1 19 19 VAL HB H 1 1.758 0.02 . 1 . . . . 59 VAL HB . 18380 1 115 . 1 1 19 19 VAL C C 13 176.507 0.20 . 1 . . . . 59 VAL C . 18380 1 116 . 1 1 19 19 VAL CA C 13 63.697 0.20 . 1 . . . . 59 VAL CA . 18380 1 117 . 1 1 19 19 VAL CB C 13 32.191 0.20 . 1 . . . . 59 VAL CB . 18380 1 118 . 1 1 19 19 VAL N N 15 123.833 0.20 . 1 . . . . 59 VAL N . 18380 1 119 . 1 1 20 20 ALA H H 1 8.958 0.02 . 1 . . . . 60 ALA H . 18380 1 120 . 1 1 20 20 ALA HA H 1 4.356 0.02 . 1 . . . . 60 ALA HA . 18380 1 121 . 1 1 20 20 ALA HB1 H 1 1.429 0.02 . 1 . . . . 60 ALA HB . 18380 1 122 . 1 1 20 20 ALA HB2 H 1 1.429 0.02 . 1 . . . . 60 ALA HB . 18380 1 123 . 1 1 20 20 ALA HB3 H 1 1.429 0.02 . 1 . . . . 60 ALA HB . 18380 1 124 . 1 1 20 20 ALA C C 13 177.421 0.20 . 1 . . . . 60 ALA C . 18380 1 125 . 1 1 20 20 ALA CA C 13 52.304 0.20 . 1 . . . . 60 ALA CA . 18380 1 126 . 1 1 20 20 ALA CB C 13 19.419 0.20 . 1 . . . . 60 ALA CB . 18380 1 127 . 1 1 20 20 ALA N N 15 133.928 0.20 . 1 . . . . 60 ALA N . 18380 1 128 . 1 1 21 21 ALA H H 1 8.584 0.02 . 1 . . . . 61 ALA H . 18380 1 129 . 1 1 21 21 ALA HA H 1 4.089 0.02 . 1 . . . . 61 ALA HA . 18380 1 130 . 1 1 21 21 ALA HB1 H 1 1.433 0.02 . 1 . . . . 61 ALA HB . 18380 1 131 . 1 1 21 21 ALA HB2 H 1 1.433 0.02 . 1 . . . . 61 ALA HB . 18380 1 132 . 1 1 21 21 ALA HB3 H 1 1.433 0.02 . 1 . . . . 61 ALA HB . 18380 1 133 . 1 1 21 21 ALA C C 13 178.884 0.20 . 1 . . . . 61 ALA C . 18380 1 134 . 1 1 21 21 ALA CA C 13 54.338 0.20 . 1 . . . . 61 ALA CA . 18380 1 135 . 1 1 21 21 ALA CB C 13 18.860 0.20 . 1 . . . . 61 ALA CB . 18380 1 136 . 1 1 21 21 ALA N N 15 121.528 0.20 . 1 . . . . 61 ALA N . 18380 1 137 . 1 1 22 22 ASP H H 1 8.127 0.02 . 1 . . . . 62 ASP H . 18380 1 138 . 1 1 22 22 ASP HA H 1 4.600 0.02 . 1 . . . . 62 ASP HA . 18380 1 139 . 1 1 22 22 ASP HB2 H 1 2.593 0.02 . 2 . . . . 62 ASP HB2 . 18380 1 140 . 1 1 22 22 ASP HB3 H 1 2.593 0.02 . 2 . . . . 62 ASP HB3 . 18380 1 141 . 1 1 22 22 ASP C C 13 177.301 0.20 . 1 . . . . 62 ASP C . 18380 1 142 . 1 1 22 22 ASP CA C 13 54.544 0.20 . 1 . . . . 62 ASP CA . 18380 1 143 . 1 1 22 22 ASP CB C 13 41.228 0.20 . 1 . . . . 62 ASP CB . 18380 1 144 . 1 1 22 22 ASP N N 15 115.505 0.20 . 1 . . . . 62 ASP N . 18380 1 145 . 1 1 23 23 GLY H H 1 8.942 0.02 . 1 . . . . 63 GLY H . 18380 1 146 . 1 1 23 23 GLY HA2 H 1 4.328 0.02 . 2 . . . . 63 GLY HA2 . 18380 1 147 . 1 1 23 23 GLY HA3 H 1 3.873 0.02 . 2 . . . . 63 GLY HA3 . 18380 1 148 . 1 1 23 23 GLY C C 13 173.480 0.20 . 1 . . . . 63 GLY C . 18380 1 149 . 1 1 23 23 GLY CA C 13 46.237 0.20 . 1 . . . . 63 GLY CA . 18380 1 150 . 1 1 23 23 GLY N N 15 112.223 0.20 . 1 . . . . 63 GLY N . 18380 1 151 . 1 1 24 24 LEU H H 1 7.397 0.02 . 1 . . . . 64 LEU H . 18380 1 152 . 1 1 24 24 LEU HA H 1 4.970 0.02 . 1 . . . . 64 LEU HA . 18380 1 153 . 1 1 24 24 LEU HB2 H 1 1.893 0.02 . 2 . . . . 64 LEU HB2 . 18380 1 154 . 1 1 24 24 LEU HB3 H 1 1.893 0.02 . 2 . . . . 64 LEU HB3 . 18380 1 155 . 1 1 24 24 LEU C C 13 178.106 0.20 . 1 . . . . 64 LEU C . 18380 1 156 . 1 1 24 24 LEU CA C 13 57.266 0.20 . 1 . . . . 64 LEU CA . 18380 1 157 . 1 1 24 24 LEU CB C 13 42.256 0.20 . 1 . . . . 64 LEU CB . 18380 1 158 . 1 1 24 24 LEU N N 15 123.956 0.20 . 1 . . . . 64 LEU N . 18380 1 159 . 1 1 25 25 THR H H 1 9.753 0.02 . 1 . . . . 65 THR H . 18380 1 160 . 1 1 25 25 THR C C 13 173.295 0.20 . 1 . . . . 65 THR C . 18380 1 161 . 1 1 25 25 THR CA C 13 61.443 0.20 . 1 . . . . 65 THR CA . 18380 1 162 . 1 1 25 25 THR CB C 13 72.133 0.20 . 1 . . . . 65 THR CB . 18380 1 163 . 1 1 25 25 THR N N 15 123.960 0.20 . 1 . . . . 65 THR N . 18380 1 164 . 1 1 26 26 MET H H 1 8.880 0.02 . 1 . . . . 66 MET H . 18380 1 165 . 1 1 26 26 MET HA H 1 5.035 0.02 . 1 . . . . 66 MET HA . 18380 1 166 . 1 1 26 26 MET HB2 H 1 2.192 0.02 . 2 . . . . 66 MET HB2 . 18380 1 167 . 1 1 26 26 MET HB3 H 1 2.192 0.02 . 2 . . . . 66 MET HB3 . 18380 1 168 . 1 1 26 26 MET C C 13 176.870 0.20 . 1 . . . . 66 MET C . 18380 1 169 . 1 1 26 26 MET CA C 13 54.523 0.20 . 1 . . . . 66 MET CA . 18380 1 170 . 1 1 26 26 MET CB C 13 31.741 0.20 . 1 . . . . 66 MET CB . 18380 1 171 . 1 1 26 26 MET N N 15 125.119 0.20 . 1 . . . . 66 MET N . 18380 1 172 . 1 1 27 27 LEU H H 1 8.022 0.02 . 1 . . . . 67 LEU H . 18380 1 173 . 1 1 27 27 LEU HA H 1 4.247 0.02 . 1 . . . . 67 LEU HA . 18380 1 174 . 1 1 27 27 LEU HB2 H 1 1.634 0.02 . 2 . . . . 67 LEU HB2 . 18380 1 175 . 1 1 27 27 LEU HB3 H 1 1.519 0.02 . 2 . . . . 67 LEU HB3 . 18380 1 176 . 1 1 27 27 LEU C C 13 176.645 0.20 . 1 . . . . 67 LEU C . 18380 1 177 . 1 1 27 27 LEU CA C 13 55.311 0.20 . 1 . . . . 67 LEU CA . 18380 1 178 . 1 1 27 27 LEU CB C 13 41.042 0.20 . 1 . . . . 67 LEU CB . 18380 1 179 . 1 1 27 27 LEU N N 15 123.349 0.20 . 1 . . . . 67 LEU N . 18380 1 180 . 1 1 28 28 ASP H H 1 8.378 0.02 . 1 . . . . 68 ASP H . 18380 1 181 . 1 1 28 28 ASP HA H 1 4.669 0.02 . 1 . . . . 68 ASP HA . 18380 1 182 . 1 1 28 28 ASP HB2 H 1 2.623 0.02 . 2 . . . . 68 ASP HB2 . 18380 1 183 . 1 1 28 28 ASP HB3 H 1 2.623 0.02 . 2 . . . . 68 ASP HB3 . 18380 1 184 . 1 1 28 28 ASP C C 13 176.946 0.20 . 1 . . . . 68 ASP C . 18380 1 185 . 1 1 28 28 ASP CA C 13 54.255 0.20 . 1 . . . . 68 ASP CA . 18380 1 186 . 1 1 28 28 ASP CB C 13 41.756 0.20 . 1 . . . . 68 ASP CB . 18380 1 187 . 1 1 28 28 ASP N N 15 120.618 0.20 . 1 . . . . 68 ASP N . 18380 1 188 . 1 1 29 29 GLY H H 1 8.583 0.02 . 1 . . . . 69 GLY H . 18380 1 189 . 1 1 29 29 GLY HA2 H 1 4.054 0.02 . 2 . . . . 69 GLY HA2 . 18380 1 190 . 1 1 29 29 GLY HA3 H 1 3.652 0.02 . 2 . . . . 69 GLY HA3 . 18380 1 191 . 1 1 29 29 GLY C C 13 173.231 0.20 . 1 . . . . 69 GLY C . 18380 1 192 . 1 1 29 29 GLY CA C 13 45.967 0.20 . 1 . . . . 69 GLY CA . 18380 1 193 . 1 1 29 29 GLY N N 15 112.471 0.20 . 1 . . . . 69 GLY N . 18380 1 194 . 1 1 30 30 ALA H H 1 7.626 0.02 . 1 . . . . 70 ALA H . 18380 1 195 . 1 1 30 30 ALA C C 13 174.169 0.20 . 1 . . . . 70 ALA C . 18380 1 196 . 1 1 30 30 ALA CA C 13 50.279 0.20 . 1 . . . . 70 ALA CA . 18380 1 197 . 1 1 30 30 ALA CB C 13 18.891 0.20 . 1 . . . . 70 ALA CB . 18380 1 198 . 1 1 30 30 ALA N N 15 125.495 0.20 . 1 . . . . 70 ALA N . 18380 1 199 . 1 1 31 31 PRO HA H 1 4.461 0.02 . 1 . . . . 71 PRO HA . 18380 1 200 . 1 1 31 31 PRO HB2 H 1 2.150 0.02 . 2 . . . . 71 PRO HB2 . 18380 1 201 . 1 1 31 31 PRO HB3 H 1 1.761 0.02 . 2 . . . . 71 PRO HB3 . 18380 1 202 . 1 1 31 31 PRO C C 13 176.784 0.20 . 1 . . . . 71 PRO C . 18380 1 203 . 1 1 31 31 PRO CA C 13 63.187 0.20 . 1 . . . . 71 PRO CA . 18380 1 204 . 1 1 31 31 PRO CB C 13 31.753 0.20 . 1 . . . . 71 PRO CB . 18380 1 205 . 1 1 32 32 GLY H H 1 7.991 0.02 . 1 . . . . 72 GLY H . 18380 1 206 . 1 1 32 32 GLY HA2 H 1 4.991 0.02 . 2 . . . . 72 GLY HA2 . 18380 1 207 . 1 1 32 32 GLY HA3 H 1 3.989 0.02 . 2 . . . . 72 GLY HA3 . 18380 1 208 . 1 1 32 32 GLY C C 13 172.940 0.20 . 1 . . . . 72 GLY C . 18380 1 209 . 1 1 32 32 GLY CA C 13 45.603 0.20 . 1 . . . . 72 GLY CA . 18380 1 210 . 1 1 32 32 GLY N N 15 109.368 0.20 . 1 . . . . 72 GLY N . 18380 1 211 . 1 1 33 33 VAL H H 1 9.322 0.02 . 1 . . . . 73 VAL H . 18380 1 212 . 1 1 33 33 VAL C C 13 171.426 0.20 . 1 . . . . 73 VAL C . 18380 1 213 . 1 1 33 33 VAL CA C 13 60.349 0.20 . 1 . . . . 73 VAL CA . 18380 1 214 . 1 1 33 33 VAL CB C 13 35.350 0.20 . 1 . . . . 73 VAL CB . 18380 1 215 . 1 1 33 33 VAL N N 15 116.399 0.20 . 1 . . . . 73 VAL N . 18380 1 216 . 1 1 34 34 ARG H H 1 8.958 0.02 . 1 . . . . 74 ARG H . 18380 1 217 . 1 1 34 34 ARG HA H 1 6.005 0.02 . 1 . . . . 74 ARG HA . 18380 1 218 . 1 1 34 34 ARG HB2 H 1 1.910 0.02 . 2 . . . . 74 ARG HB2 . 18380 1 219 . 1 1 34 34 ARG HB3 H 1 1.625 0.02 . 2 . . . . 74 ARG HB3 . 18380 1 220 . 1 1 34 34 ARG C C 13 174.650 0.20 . 1 . . . . 74 ARG C . 18380 1 221 . 1 1 34 34 ARG CA C 13 54.301 0.20 . 1 . . . . 74 ARG CA . 18380 1 222 . 1 1 34 34 ARG CB C 13 33.309 0.20 . 1 . . . . 74 ARG CB . 18380 1 223 . 1 1 34 34 ARG N N 15 127.559 0.20 . 1 . . . . 74 ARG N . 18380 1 224 . 1 1 35 35 PHE H H 1 9.249 0.02 . 1 . . . . 75 PHE H . 18380 1 225 . 1 1 35 35 PHE HA H 1 5.451 0.02 . 1 . . . . 75 PHE HA . 18380 1 226 . 1 1 35 35 PHE HB2 H 1 3.312 0.02 . 2 . . . . 75 PHE HB2 . 18380 1 227 . 1 1 35 35 PHE HB3 H 1 3.312 0.02 . 2 . . . . 75 PHE HB3 . 18380 1 228 . 1 1 35 35 PHE C C 13 171.165 0.20 . 1 . . . . 75 PHE C . 18380 1 229 . 1 1 35 35 PHE CA C 13 56.090 0.20 . 1 . . . . 75 PHE CA . 18380 1 230 . 1 1 35 35 PHE CB C 13 41.152 0.20 . 1 . . . . 75 PHE CB . 18380 1 231 . 1 1 35 35 PHE N N 15 120.684 0.20 . 1 . . . . 75 PHE N . 18380 1 232 . 1 1 36 36 ARG H H 1 9.862 0.02 . 1 . . . . 76 ARG H . 18380 1 233 . 1 1 36 36 ARG HA H 1 4.402 0.02 . 1 . . . . 76 ARG HA . 18380 1 234 . 1 1 36 36 ARG HB2 H 1 1.109 0.02 . 2 . . . . 76 ARG HB2 . 18380 1 235 . 1 1 36 36 ARG HB3 H 1 0.589 0.02 . 2 . . . . 76 ARG HB3 . 18380 1 236 . 1 1 36 36 ARG CA C 13 54.536 0.20 . 1 . . . . 76 ARG CA . 18380 1 237 . 1 1 36 36 ARG CB C 13 31.504 0.20 . 1 . . . . 76 ARG CB . 18380 1 238 . 1 1 36 36 ARG N N 15 122.119 0.20 . 1 . . . . 76 ARG N . 18380 1 239 . 1 1 37 37 LEU H H 1 8.680 0.02 . 1 . . . . 77 LEU H . 18380 1 240 . 1 1 37 37 LEU HA H 1 4.777 0.02 . 1 . . . . 77 LEU HA . 18380 1 241 . 1 1 37 37 LEU HB2 H 1 1.706 0.02 . 2 . . . . 77 LEU HB2 . 18380 1 242 . 1 1 37 37 LEU HB3 H 1 1.032 0.02 . 2 . . . . 77 LEU HB3 . 18380 1 243 . 1 1 37 37 LEU C C 13 176.483 0.20 . 1 . . . . 77 LEU C . 18380 1 244 . 1 1 37 37 LEU CA C 13 53.223 0.20 . 1 . . . . 77 LEU CA . 18380 1 245 . 1 1 37 37 LEU CB C 13 44.660 0.20 . 1 . . . . 77 LEU CB . 18380 1 246 . 1 1 37 37 LEU N N 15 126.852 0.20 . 1 . . . . 77 LEU N . 18380 1 247 . 1 1 38 38 GLU H H 1 9.327 0.02 . 1 . . . . 78 GLU H . 18380 1 248 . 1 1 38 38 GLU C C 13 175.553 0.20 . 1 . . . . 78 GLU C . 18380 1 249 . 1 1 38 38 GLU CA C 13 55.428 0.20 . 1 . . . . 78 GLU CA . 18380 1 250 . 1 1 38 38 GLU CB C 13 30.533 0.20 . 1 . . . . 78 GLU CB . 18380 1 251 . 1 1 38 38 GLU N N 15 127.317 0.20 . 1 . . . . 78 GLU N . 18380 1 252 . 1 1 39 39 ASP H H 1 8.363 0.02 . 1 . . . . 79 ASP H . 18380 1 253 . 1 1 39 39 ASP HA H 1 4.650 0.02 . 1 . . . . 79 ASP HA . 18380 1 254 . 1 1 39 39 ASP HB2 H 1 3.036 0.02 . 2 . . . . 79 ASP HB2 . 18380 1 255 . 1 1 39 39 ASP HB3 H 1 2.548 0.02 . 2 . . . . 79 ASP HB3 . 18380 1 256 . 1 1 39 39 ASP C C 13 177.140 0.20 . 1 . . . . 79 ASP C . 18380 1 257 . 1 1 39 39 ASP CA C 13 54.212 0.20 . 1 . . . . 79 ASP CA . 18380 1 258 . 1 1 39 39 ASP CB C 13 42.705 0.20 . 1 . . . . 79 ASP CB . 18380 1 259 . 1 1 39 39 ASP N N 15 125.181 0.20 . 1 . . . . 79 ASP N . 18380 1 260 . 1 1 40 40 LYS H H 1 8.636 0.02 . 1 . . . . 80 LYS H . 18380 1 261 . 1 1 40 40 LYS HA H 1 4.075 0.02 . 1 . . . . 80 LYS HA . 18380 1 262 . 1 1 40 40 LYS HB2 H 1 1.760 0.02 . 2 . . . . 80 LYS HB2 . 18380 1 263 . 1 1 40 40 LYS HB3 H 1 1.760 0.02 . 2 . . . . 80 LYS HB3 . 18380 1 264 . 1 1 40 40 LYS C C 13 177.073 0.20 . 1 . . . . 80 LYS C . 18380 1 265 . 1 1 40 40 LYS CA C 13 58.210 0.20 . 1 . . . . 80 LYS CA . 18380 1 266 . 1 1 40 40 LYS CB C 13 32.175 0.20 . 1 . . . . 80 LYS CB . 18380 1 267 . 1 1 40 40 LYS N N 15 124.324 0.20 . 1 . . . . 80 LYS N . 18380 1 268 . 1 1 41 41 ASP H H 1 8.404 0.02 . 1 . . . . 81 ASP H . 18380 1 269 . 1 1 41 41 ASP HA H 1 4.695 0.02 . 1 . . . . 81 ASP HA . 18380 1 270 . 1 1 41 41 ASP HB2 H 1 2.696 0.02 . 2 . . . . 81 ASP HB2 . 18380 1 271 . 1 1 41 41 ASP HB3 H 1 2.696 0.02 . 2 . . . . 81 ASP HB3 . 18380 1 272 . 1 1 41 41 ASP C C 13 176.093 0.20 . 1 . . . . 81 ASP C . 18380 1 273 . 1 1 41 41 ASP CA C 13 55.032 0.20 . 1 . . . . 81 ASP CA . 18380 1 274 . 1 1 41 41 ASP CB C 13 41.951 0.20 . 1 . . . . 81 ASP CB . 18380 1 275 . 1 1 41 41 ASP N N 15 117.674 0.20 . 1 . . . . 81 ASP N . 18380 1 276 . 1 1 42 42 ASN H H 1 8.051 0.02 . 1 . . . . 82 ASN H . 18380 1 277 . 1 1 42 42 ASN HA H 1 4.813 0.02 . 1 . . . . 82 ASN HA . 18380 1 278 . 1 1 42 42 ASN HB2 H 1 2.780 0.02 . 2 . . . . 82 ASN HB2 . 18380 1 279 . 1 1 42 42 ASN HB3 H 1 2.780 0.02 . 2 . . . . 82 ASN HB3 . 18380 1 280 . 1 1 42 42 ASN HD21 H 1 7.845 0.02 . 2 . . . . 82 ASN HD21 . 18380 1 281 . 1 1 42 42 ASN HD22 H 1 6.952 0.02 . 2 . . . . 82 ASN HD22 . 18380 1 282 . 1 1 42 42 ASN C C 13 175.518 0.20 . 1 . . . . 82 ASN C . 18380 1 283 . 1 1 42 42 ASN CA C 13 52.898 0.20 . 1 . . . . 82 ASN CA . 18380 1 284 . 1 1 42 42 ASN CB C 13 38.536 0.20 . 1 . . . . 82 ASN CB . 18380 1 285 . 1 1 42 42 ASN N N 15 118.344 0.20 . 1 . . . . 82 ASN N . 18380 1 286 . 1 1 42 42 ASN ND2 N 15 112.906 0.20 . 1 . . . . 82 ASN ND2 . 18380 1 287 . 1 1 43 43 THR H H 1 8.570 0.02 . 1 . . . . 83 THR H . 18380 1 288 . 1 1 43 43 THR C C 13 175.414 0.20 . 1 . . . . 83 THR C . 18380 1 289 . 1 1 43 43 THR CA C 13 63.850 0.20 . 1 . . . . 83 THR CA . 18380 1 290 . 1 1 43 43 THR CB C 13 69.407 0.20 . 1 . . . . 83 THR CB . 18380 1 291 . 1 1 43 43 THR N N 15 114.318 0.20 . 1 . . . . 83 THR N . 18380 1 292 . 1 1 44 44 SER H H 1 8.216 0.02 . 1 . . . . 84 SER H . 18380 1 293 . 1 1 44 44 SER HA H 1 3.946 0.02 . 1 . . . . 84 SER HA . 18380 1 294 . 1 1 44 44 SER C C 13 174.306 0.20 . 1 . . . . 84 SER C . 18380 1 295 . 1 1 44 44 SER CA C 13 59.503 0.20 . 1 . . . . 84 SER CA . 18380 1 296 . 1 1 44 44 SER CB C 13 63.834 0.20 . 1 . . . . 84 SER CB . 18380 1 297 . 1 1 44 44 SER N N 15 115.773 0.20 . 1 . . . . 84 SER N . 18380 1 298 . 1 1 45 45 LYS H H 1 7.897 0.02 . 1 . . . . 85 LYS H . 18380 1 299 . 1 1 45 45 LYS HA H 1 4.441 0.02 . 1 . . . . 85 LYS HA . 18380 1 300 . 1 1 45 45 LYS HB2 H 1 1.831 0.02 . 2 . . . . 85 LYS HB2 . 18380 1 301 . 1 1 45 45 LYS HB3 H 1 1.831 0.02 . 2 . . . . 85 LYS HB3 . 18380 1 302 . 1 1 45 45 LYS C C 13 175.637 0.20 . 1 . . . . 85 LYS C . 18380 1 303 . 1 1 45 45 LYS CA C 13 56.122 0.20 . 1 . . . . 85 LYS CA . 18380 1 304 . 1 1 45 45 LYS CB C 13 32.899 0.20 . 1 . . . . 85 LYS CB . 18380 1 305 . 1 1 45 45 LYS N N 15 123.545 0.20 . 1 . . . . 85 LYS N . 18380 1 306 . 1 1 46 46 THR H H 1 8.196 0.02 . 1 . . . . 86 THR H . 18380 1 307 . 1 1 46 46 THR C C 13 173.594 0.20 . 1 . . . . 86 THR C . 18380 1 308 . 1 1 46 46 THR CA C 13 61.298 0.20 . 1 . . . . 86 THR CA . 18380 1 309 . 1 1 46 46 THR CB C 13 70.956 0.20 . 1 . . . . 86 THR CB . 18380 1 310 . 1 1 46 46 THR N N 15 118.397 0.20 . 1 . . . . 86 THR N . 18380 1 311 . 1 1 47 47 VAL H H 1 8.116 0.02 . 1 . . . . 87 VAL H . 18380 1 312 . 1 1 47 47 VAL HA H 1 4.391 0.02 . 1 . . . . 87 VAL HA . 18380 1 313 . 1 1 47 47 VAL HB H 1 1.973 0.02 . 1 . . . . 87 VAL HB . 18380 1 314 . 1 1 47 47 VAL C C 13 174.307 0.20 . 1 . . . . 87 VAL C . 18380 1 315 . 1 1 47 47 VAL CA C 13 60.875 0.20 . 1 . . . . 87 VAL CA . 18380 1 316 . 1 1 47 47 VAL CB C 13 34.950 0.20 . 1 . . . . 87 VAL CB . 18380 1 317 . 1 1 47 47 VAL N N 15 123.639 0.20 . 1 . . . . 87 VAL N . 18380 1 318 . 1 1 48 48 TRP H H 1 8.544 0.02 . 1 . . . . 88 TRP H . 18380 1 319 . 1 1 48 48 TRP HA H 1 4.774 0.02 . 1 . . . . 88 TRP HA . 18380 1 320 . 1 1 48 48 TRP HB2 H 1 3.261 0.02 . 2 . . . . 88 TRP HB2 . 18380 1 321 . 1 1 48 48 TRP HB3 H 1 2.968 0.02 . 2 . . . . 88 TRP HB3 . 18380 1 322 . 1 1 48 48 TRP HE1 H 1 10.052 0.02 . 1 . . . . 88 TRP HE1 . 18380 1 323 . 1 1 48 48 TRP C C 13 175.353 0.20 . 1 . . . . 88 TRP C . 18380 1 324 . 1 1 48 48 TRP CA C 13 57.781 0.20 . 1 . . . . 88 TRP CA . 18380 1 325 . 1 1 48 48 TRP CB C 13 30.598 0.20 . 1 . . . . 88 TRP CB . 18380 1 326 . 1 1 48 48 TRP N N 15 126.280 0.20 . 1 . . . . 88 TRP N . 18380 1 327 . 1 1 48 48 TRP NE1 N 15 128.180 0.20 . 1 . . . . 88 TRP NE1 . 18380 1 328 . 1 1 49 49 VAL H H 1 9.556 0.02 . 1 . . . . 89 VAL H . 18380 1 329 . 1 1 49 49 VAL HA H 1 4.862 0.02 . 1 . . . . 89 VAL HA . 18380 1 330 . 1 1 49 49 VAL HB H 1 0.447 0.02 . 1 . . . . 89 VAL HB . 18380 1 331 . 1 1 49 49 VAL C C 13 173.688 0.20 . 1 . . . . 89 VAL C . 18380 1 332 . 1 1 49 49 VAL CA C 13 60.865 0.20 . 1 . . . . 89 VAL CA . 18380 1 333 . 1 1 49 49 VAL CB C 13 33.523 0.20 . 1 . . . . 89 VAL CB . 18380 1 334 . 1 1 49 49 VAL N N 15 123.339 0.20 . 1 . . . . 89 VAL N . 18380 1 335 . 1 1 50 50 LEU H H 1 8.768 0.02 . 1 . . . . 90 LEU H . 18380 1 336 . 1 1 50 50 LEU HA H 1 5.186 0.02 . 1 . . . . 90 LEU HA . 18380 1 337 . 1 1 50 50 LEU HB2 H 1 1.763 0.02 . 2 . . . . 90 LEU HB2 . 18380 1 338 . 1 1 50 50 LEU HB3 H 1 1.342 0.02 . 2 . . . . 90 LEU HB3 . 18380 1 339 . 1 1 50 50 LEU C C 13 175.251 0.20 . 1 . . . . 90 LEU C . 18380 1 340 . 1 1 50 50 LEU CA C 13 53.736 0.20 . 1 . . . . 90 LEU CA . 18380 1 341 . 1 1 50 50 LEU CB C 13 45.821 0.20 . 1 . . . . 90 LEU CB . 18380 1 342 . 1 1 50 50 LEU N N 15 125.506 0.20 . 1 . . . . 90 LEU N . 18380 1 343 . 1 1 51 51 TYR H H 1 9.368 0.02 . 1 . . . . 91 TYR H . 18380 1 344 . 1 1 51 51 TYR HA H 1 5.181 0.02 . 1 . . . . 91 TYR HA . 18380 1 345 . 1 1 51 51 TYR HB2 H 1 2.847 0.02 . 2 . . . . 91 TYR HB2 . 18380 1 346 . 1 1 51 51 TYR HB3 H 1 2.847 0.02 . 2 . . . . 91 TYR HB3 . 18380 1 347 . 1 1 51 51 TYR C C 13 172.501 0.20 . 1 . . . . 91 TYR C . 18380 1 348 . 1 1 51 51 TYR CA C 13 56.565 0.20 . 1 . . . . 91 TYR CA . 18380 1 349 . 1 1 51 51 TYR CB C 13 41.570 0.20 . 1 . . . . 91 TYR CB . 18380 1 350 . 1 1 51 51 TYR N N 15 129.439 0.20 . 1 . . . . 91 TYR N . 18380 1 351 . 1 1 52 52 LYS H H 1 7.782 0.02 . 1 . . . . 92 LYS H . 18380 1 352 . 1 1 52 52 LYS HA H 1 4.447 0.02 . 1 . . . . 92 LYS HA . 18380 1 353 . 1 1 52 52 LYS HB2 H 1 1.690 0.02 . 2 . . . . 92 LYS HB2 . 18380 1 354 . 1 1 52 52 LYS HB3 H 1 1.462 0.02 . 2 . . . . 92 LYS HB3 . 18380 1 355 . 1 1 52 52 LYS C C 13 173.986 0.20 . 1 . . . . 92 LYS C . 18380 1 356 . 1 1 52 52 LYS CA C 13 55.319 0.20 . 1 . . . . 92 LYS CA . 18380 1 357 . 1 1 52 52 LYS CB C 13 32.269 0.20 . 1 . . . . 92 LYS CB . 18380 1 358 . 1 1 52 52 LYS N N 15 127.538 0.20 . 1 . . . . 92 LYS N . 18380 1 359 . 1 1 53 53 GLY H H 1 7.166 0.02 . 1 . . . . 93 GLY H . 18380 1 360 . 1 1 53 53 GLY HA2 H 1 3.807 0.02 . 2 . . . . 93 GLY HA2 . 18380 1 361 . 1 1 53 53 GLY HA3 H 1 3.594 0.02 . 2 . . . . 93 GLY HA3 . 18380 1 362 . 1 1 53 53 GLY C C 13 170.605 0.20 . 1 . . . . 93 GLY C . 18380 1 363 . 1 1 53 53 GLY CA C 13 43.521 0.20 . 1 . . . . 93 GLY CA . 18380 1 364 . 1 1 53 53 GLY N N 15 111.736 0.20 . 1 . . . . 93 GLY N . 18380 1 365 . 1 1 54 54 ALA H H 1 8.180 0.02 . 1 . . . . 94 ALA H . 18380 1 366 . 1 1 54 54 ALA C C 13 178.907 0.20 . 1 . . . . 94 ALA C . 18380 1 367 . 1 1 54 54 ALA CA C 13 52.469 0.20 . 1 . . . . 94 ALA CA . 18380 1 368 . 1 1 54 54 ALA CB C 13 18.264 0.20 . 1 . . . . 94 ALA CB . 18380 1 369 . 1 1 54 54 ALA N N 15 119.142 0.20 . 1 . . . . 94 ALA N . 18380 1 370 . 1 1 55 55 VAL H H 1 8.962 0.02 . 1 . . . . 95 VAL H . 18380 1 371 . 1 1 55 55 VAL CA C 13 60.203 0.20 . 1 . . . . 95 VAL CA . 18380 1 372 . 1 1 55 55 VAL CB C 13 32.489 0.20 . 1 . . . . 95 VAL CB . 18380 1 373 . 1 1 55 55 VAL N N 15 127.586 0.20 . 1 . . . . 95 VAL N . 18380 1 374 . 1 1 56 56 PRO HA H 1 4.596 0.02 . 1 . . . . 96 PRO HA . 18380 1 375 . 1 1 56 56 PRO HB2 H 1 2.529 0.02 . 2 . . . . 96 PRO HB2 . 18380 1 376 . 1 1 56 56 PRO HB3 H 1 1.976 0.02 . 2 . . . . 96 PRO HB3 . 18380 1 377 . 1 1 56 56 PRO C C 13 177.816 0.20 . 1 . . . . 96 PRO C . 18380 1 378 . 1 1 56 56 PRO CA C 13 63.115 0.20 . 1 . . . . 96 PRO CA . 18380 1 379 . 1 1 56 56 PRO CB C 13 32.715 0.20 . 1 . . . . 96 PRO CB . 18380 1 380 . 1 1 57 57 ASP H H 1 8.992 0.02 . 1 . . . . 97 ASP H . 18380 1 381 . 1 1 57 57 ASP HA H 1 4.443 0.02 . 1 . . . . 97 ASP HA . 18380 1 382 . 1 1 57 57 ASP HB2 H 1 2.790 0.02 . 2 . . . . 97 ASP HB2 . 18380 1 383 . 1 1 57 57 ASP HB3 H 1 2.790 0.02 . 2 . . . . 97 ASP HB3 . 18380 1 384 . 1 1 57 57 ASP C C 13 176.712 0.20 . 1 . . . . 97 ASP C . 18380 1 385 . 1 1 57 57 ASP CA C 13 56.631 0.20 . 1 . . . . 97 ASP CA . 18380 1 386 . 1 1 57 57 ASP CB C 13 40.060 0.20 . 1 . . . . 97 ASP CB . 18380 1 387 . 1 1 57 57 ASP N N 15 122.369 0.20 . 1 . . . . 97 ASP N . 18380 1 388 . 1 1 58 58 THR H H 1 7.198 0.02 . 1 . . . . 98 THR H . 18380 1 389 . 1 1 58 58 THR C C 13 174.857 0.20 . 1 . . . . 98 THR C . 18380 1 390 . 1 1 58 58 THR CA C 13 61.059 0.20 . 1 . . . . 98 THR CA . 18380 1 391 . 1 1 58 58 THR CB C 13 69.373 0.20 . 1 . . . . 98 THR CB . 18380 1 392 . 1 1 58 58 THR N N 15 105.128 0.20 . 1 . . . . 98 THR N . 18380 1 393 . 1 1 59 59 PHE H H 1 7.760 0.02 . 1 . . . . 99 PHE H . 18380 1 394 . 1 1 59 59 PHE HA H 1 3.745 0.02 . 1 . . . . 99 PHE HA . 18380 1 395 . 1 1 59 59 PHE HB2 H 1 3.212 0.02 . 2 . . . . 99 PHE HB2 . 18380 1 396 . 1 1 59 59 PHE HB3 H 1 2.413 0.02 . 2 . . . . 99 PHE HB3 . 18380 1 397 . 1 1 59 59 PHE C C 13 172.706 0.20 . 1 . . . . 99 PHE C . 18380 1 398 . 1 1 59 59 PHE CA C 13 60.770 0.20 . 1 . . . . 99 PHE CA . 18380 1 399 . 1 1 59 59 PHE CB C 13 39.960 0.20 . 1 . . . . 99 PHE CB . 18380 1 400 . 1 1 59 59 PHE N N 15 122.507 0.20 . 1 . . . . 99 PHE N . 18380 1 401 . 1 1 60 60 LYS H H 1 6.468 0.02 . 1 . . . . 100 LYS H . 18380 1 402 . 1 1 60 60 LYS CA C 13 53.837 0.20 . 1 . . . . 100 LYS CA . 18380 1 403 . 1 1 60 60 LYS CB C 13 32.121 0.20 . 1 . . . . 100 LYS CB . 18380 1 404 . 1 1 60 60 LYS N N 15 125.507 0.20 . 1 . . . . 100 LYS N . 18380 1 405 . 1 1 61 61 PRO HA H 1 3.705 0.02 . 1 . . . . 101 PRO HA . 18380 1 406 . 1 1 61 61 PRO HB2 H 1 1.890 0.02 . 2 . . . . 101 PRO HB2 . 18380 1 407 . 1 1 61 61 PRO HB3 H 1 1.890 0.02 . 2 . . . . 101 PRO HB3 . 18380 1 408 . 1 1 61 61 PRO C C 13 177.002 0.20 . 1 . . . . 101 PRO C . 18380 1 409 . 1 1 61 61 PRO CA C 13 64.066 0.20 . 1 . . . . 101 PRO CA . 18380 1 410 . 1 1 61 61 PRO CB C 13 30.960 0.20 . 1 . . . . 101 PRO CB . 18380 1 411 . 1 1 62 62 GLY H H 1 9.280 0.02 . 1 . . . . 102 GLY H . 18380 1 412 . 1 1 62 62 GLY HA2 H 1 4.280 0.02 . 2 . . . . 102 GLY HA2 . 18380 1 413 . 1 1 62 62 GLY HA3 H 1 3.526 0.02 . 2 . . . . 102 GLY HA3 . 18380 1 414 . 1 1 62 62 GLY C C 13 174.055 0.20 . 1 . . . . 102 GLY C . 18380 1 415 . 1 1 62 62 GLY CA C 13 44.969 0.20 . 1 . . . . 102 GLY CA . 18380 1 416 . 1 1 62 62 GLY N N 15 112.095 0.20 . 1 . . . . 102 GLY N . 18380 1 417 . 1 1 63 63 VAL H H 1 7.307 0.02 . 1 . . . . 103 VAL H . 18380 1 418 . 1 1 63 63 VAL HA H 1 4.233 0.02 . 1 . . . . 103 VAL HA . 18380 1 419 . 1 1 63 63 VAL HB H 1 2.069 0.02 . 1 . . . . 103 VAL HB . 18380 1 420 . 1 1 63 63 VAL C C 13 174.185 0.20 . 1 . . . . 103 VAL C . 18380 1 421 . 1 1 63 63 VAL CA C 13 61.572 0.20 . 1 . . . . 103 VAL CA . 18380 1 422 . 1 1 63 63 VAL CB C 13 32.795 0.20 . 1 . . . . 103 VAL CB . 18380 1 423 . 1 1 63 63 VAL N N 15 118.546 0.20 . 1 . . . . 103 VAL N . 18380 1 424 . 1 1 64 64 GLU H H 1 8.221 0.02 . 1 . . . . 104 GLU H . 18380 1 425 . 1 1 64 64 GLU HA H 1 4.902 0.02 . 1 . . . . 104 GLU HA . 18380 1 426 . 1 1 64 64 GLU HB2 H 1 2.012 0.02 . 2 . . . . 104 GLU HB2 . 18380 1 427 . 1 1 64 64 GLU HB3 H 1 2.012 0.02 . 2 . . . . 104 GLU HB3 . 18380 1 428 . 1 1 64 64 GLU C C 13 176.561 0.20 . 1 . . . . 104 GLU C . 18380 1 429 . 1 1 64 64 GLU CA C 13 56.008 0.20 . 1 . . . . 104 GLU CA . 18380 1 430 . 1 1 64 64 GLU CB C 13 30.934 0.20 . 1 . . . . 104 GLU CB . 18380 1 431 . 1 1 64 64 GLU N N 15 123.499 0.20 . 1 . . . . 104 GLU N . 18380 1 432 . 1 1 65 65 VAL H H 1 9.059 0.02 . 1 . . . . 105 VAL H . 18380 1 433 . 1 1 65 65 VAL HA H 1 5.281 0.02 . 1 . . . . 105 VAL HA . 18380 1 434 . 1 1 65 65 VAL HB H 1 1.906 0.02 . 1 . . . . 105 VAL HB . 18380 1 435 . 1 1 65 65 VAL C C 13 174.123 0.20 . 1 . . . . 105 VAL C . 18380 1 436 . 1 1 65 65 VAL CA C 13 58.429 0.20 . 1 . . . . 105 VAL CA . 18380 1 437 . 1 1 65 65 VAL CB C 13 36.257 0.20 . 1 . . . . 105 VAL CB . 18380 1 438 . 1 1 65 65 VAL N N 15 115.028 0.20 . 1 . . . . 105 VAL N . 18380 1 439 . 1 1 66 66 ILE H H 1 8.542 0.02 . 1 . . . . 106 ILE H . 18380 1 440 . 1 1 66 66 ILE HA H 1 4.740 0.02 . 1 . . . . 106 ILE HA . 18380 1 441 . 1 1 66 66 ILE HB H 1 1.500 0.02 . 1 . . . . 106 ILE HB . 18380 1 442 . 1 1 66 66 ILE C C 13 176.517 0.20 . 1 . . . . 106 ILE C . 18380 1 443 . 1 1 66 66 ILE CA C 13 61.074 0.20 . 1 . . . . 106 ILE CA . 18380 1 444 . 1 1 66 66 ILE CB C 13 41.136 0.20 . 1 . . . . 106 ILE CB . 18380 1 445 . 1 1 66 66 ILE N N 15 120.436 0.20 . 1 . . . . 106 ILE N . 18380 1 446 . 1 1 67 67 ILE H H 1 8.900 0.02 . 1 . . . . 107 ILE H . 18380 1 447 . 1 1 67 67 ILE HA H 1 5.166 0.02 . 1 . . . . 107 ILE HA . 18380 1 448 . 1 1 67 67 ILE HB H 1 1.854 0.02 . 1 . . . . 107 ILE HB . 18380 1 449 . 1 1 67 67 ILE C C 13 174.160 0.20 . 1 . . . . 107 ILE C . 18380 1 450 . 1 1 67 67 ILE CA C 13 58.491 0.20 . 1 . . . . 107 ILE CA . 18380 1 451 . 1 1 67 67 ILE CB C 13 41.978 0.20 . 1 . . . . 107 ILE CB . 18380 1 452 . 1 1 67 67 ILE N N 15 122.376 0.20 . 1 . . . . 107 ILE N . 18380 1 453 . 1 1 68 68 GLU H H 1 7.771 0.02 . 1 . . . . 108 GLU H . 18380 1 454 . 1 1 68 68 GLU HA H 1 5.776 0.02 . 1 . . . . 108 GLU HA . 18380 1 455 . 1 1 68 68 GLU HB2 H 1 2.024 0.02 . 2 . . . . 108 GLU HB2 . 18380 1 456 . 1 1 68 68 GLU HB3 H 1 2.024 0.02 . 2 . . . . 108 GLU HB3 . 18380 1 457 . 1 1 68 68 GLU C C 13 176.952 0.20 . 1 . . . . 108 GLU C . 18380 1 458 . 1 1 68 68 GLU CA C 13 54.277 0.20 . 1 . . . . 108 GLU CA . 18380 1 459 . 1 1 68 68 GLU CB C 13 33.038 0.20 . 1 . . . . 108 GLU CB . 18380 1 460 . 1 1 68 68 GLU N N 15 119.680 0.20 . 1 . . . . 108 GLU N . 18380 1 461 . 1 1 69 69 GLY H H 1 9.055 0.02 . 1 . . . . 109 GLY H . 18380 1 462 . 1 1 69 69 GLY HA2 H 1 4.782 0.02 . 2 . . . . 109 GLY HA2 . 18380 1 463 . 1 1 69 69 GLY HA3 H 1 3.927 0.02 . 2 . . . . 109 GLY HA3 . 18380 1 464 . 1 1 69 69 GLY C C 13 170.380 0.20 . 1 . . . . 109 GLY C . 18380 1 465 . 1 1 69 69 GLY CA C 13 46.658 0.20 . 1 . . . . 109 GLY CA . 18380 1 466 . 1 1 69 69 GLY N N 15 112.326 0.20 . 1 . . . . 109 GLY N . 18380 1 467 . 1 1 70 70 GLY H H 1 7.071 0.02 . 1 . . . . 110 GLY H . 18380 1 468 . 1 1 70 70 GLY HA2 H 1 3.905 0.02 . 2 . . . . 110 GLY HA2 . 18380 1 469 . 1 1 70 70 GLY HA3 H 1 3.732 0.02 . 2 . . . . 110 GLY HA3 . 18380 1 470 . 1 1 70 70 GLY C C 13 170.712 0.20 . 1 . . . . 110 GLY C . 18380 1 471 . 1 1 70 70 GLY CA C 13 45.186 0.20 . 1 . . . . 110 GLY CA . 18380 1 472 . 1 1 70 70 GLY N N 15 109.322 0.20 . 1 . . . . 110 GLY N . 18380 1 473 . 1 1 71 71 LEU H H 1 8.525 0.02 . 1 . . . . 111 LEU H . 18380 1 474 . 1 1 71 71 LEU HA H 1 4.551 0.02 . 1 . . . . 111 LEU HA . 18380 1 475 . 1 1 71 71 LEU HB2 H 1 1.785 0.02 . 2 . . . . 111 LEU HB2 . 18380 1 476 . 1 1 71 71 LEU HB3 H 1 1.442 0.02 . 2 . . . . 111 LEU HB3 . 18380 1 477 . 1 1 71 71 LEU C C 13 175.855 0.20 . 1 . . . . 111 LEU C . 18380 1 478 . 1 1 71 71 LEU CA C 13 54.329 0.20 . 1 . . . . 111 LEU CA . 18380 1 479 . 1 1 71 71 LEU CB C 13 43.779 0.20 . 1 . . . . 111 LEU CB . 18380 1 480 . 1 1 71 71 LEU N N 15 122.722 0.20 . 1 . . . . 111 LEU N . 18380 1 481 . 1 1 72 72 ALA H H 1 8.964 0.02 . 1 . . . . 112 ALA H . 18380 1 482 . 1 1 72 72 ALA CA C 13 50.062 0.20 . 1 . . . . 112 ALA CA . 18380 1 483 . 1 1 72 72 ALA CB C 13 17.754 0.20 . 1 . . . . 112 ALA CB . 18380 1 484 . 1 1 72 72 ALA N N 15 130.953 0.20 . 1 . . . . 112 ALA N . 18380 1 485 . 1 1 73 73 PRO HA H 1 4.323 0.02 . 1 . . . . 113 PRO HA . 18380 1 486 . 1 1 73 73 PRO HB2 H 1 2.303 0.02 . 2 . . . . 113 PRO HB2 . 18380 1 487 . 1 1 73 73 PRO HB3 H 1 1.911 0.02 . 2 . . . . 113 PRO HB3 . 18380 1 488 . 1 1 73 73 PRO C C 13 178.255 0.20 . 1 . . . . 113 PRO C . 18380 1 489 . 1 1 73 73 PRO CA C 13 64.164 0.20 . 1 . . . . 113 PRO CA . 18380 1 490 . 1 1 73 73 PRO CB C 13 31.535 0.20 . 1 . . . . 113 PRO CB . 18380 1 491 . 1 1 74 74 GLY H H 1 8.734 0.02 . 1 . . . . 114 GLY H . 18380 1 492 . 1 1 74 74 GLY HA2 H 1 4.169 0.02 . 2 . . . . 114 GLY HA2 . 18380 1 493 . 1 1 74 74 GLY HA3 H 1 3.753 0.02 . 2 . . . . 114 GLY HA3 . 18380 1 494 . 1 1 74 74 GLY C C 13 174.270 0.20 . 1 . . . . 114 GLY C . 18380 1 495 . 1 1 74 74 GLY CA C 13 45.503 0.20 . 1 . . . . 114 GLY CA . 18380 1 496 . 1 1 74 74 GLY N N 15 112.086 0.20 . 1 . . . . 114 GLY N . 18380 1 497 . 1 1 75 75 GLU H H 1 7.910 0.02 . 1 . . . . 115 GLU H . 18380 1 498 . 1 1 75 75 GLU HA H 1 4.580 0.02 . 1 . . . . 115 GLU HA . 18380 1 499 . 1 1 75 75 GLU HB2 H 1 2.183 0.02 . 2 . . . . 115 GLU HB2 . 18380 1 500 . 1 1 75 75 GLU HB3 H 1 2.183 0.02 . 2 . . . . 115 GLU HB3 . 18380 1 501 . 1 1 75 75 GLU C C 13 176.000 0.20 . 1 . . . . 115 GLU C . 18380 1 502 . 1 1 75 75 GLU CA C 13 55.978 0.20 . 1 . . . . 115 GLU CA . 18380 1 503 . 1 1 75 75 GLU CB C 13 31.606 0.20 . 1 . . . . 115 GLU CB . 18380 1 504 . 1 1 75 75 GLU N N 15 118.978 0.20 . 1 . . . . 115 GLU N . 18380 1 505 . 1 1 76 76 ASP H H 1 8.410 0.02 . 1 . . . . 116 ASP H . 18380 1 506 . 1 1 76 76 ASP HA H 1 4.806 0.02 . 1 . . . . 116 ASP HA . 18380 1 507 . 1 1 76 76 ASP HB2 H 1 2.814 0.02 . 2 . . . . 116 ASP HB2 . 18380 1 508 . 1 1 76 76 ASP HB3 H 1 2.814 0.02 . 2 . . . . 116 ASP HB3 . 18380 1 509 . 1 1 76 76 ASP C C 13 176.218 0.20 . 1 . . . . 116 ASP C . 18380 1 510 . 1 1 76 76 ASP CA C 13 54.055 0.20 . 1 . . . . 116 ASP CA . 18380 1 511 . 1 1 76 76 ASP CB C 13 41.646 0.20 . 1 . . . . 116 ASP CB . 18380 1 512 . 1 1 76 76 ASP N N 15 117.916 0.20 . 1 . . . . 116 ASP N . 18380 1 513 . 1 1 77 77 THR H H 1 7.281 0.02 . 1 . . . . 117 THR H . 18380 1 514 . 1 1 77 77 THR HA H 1 3.897 0.02 . 1 . . . . 117 THR HA . 18380 1 515 . 1 1 77 77 THR C C 13 172.265 0.20 . 1 . . . . 117 THR C . 18380 1 516 . 1 1 77 77 THR CA C 13 62.037 0.20 . 1 . . . . 117 THR CA . 18380 1 517 . 1 1 77 77 THR CB C 13 71.554 0.20 . 1 . . . . 117 THR CB . 18380 1 518 . 1 1 77 77 THR N N 15 114.858 0.20 . 1 . . . . 117 THR N . 18380 1 519 . 1 1 78 78 PHE H H 1 9.627 0.02 . 1 . . . . 118 PHE H . 18380 1 520 . 1 1 78 78 PHE HA H 1 4.247 0.02 . 1 . . . . 118 PHE HA . 18380 1 521 . 1 1 78 78 PHE HB2 H 1 3.239 0.02 . 2 . . . . 118 PHE HB2 . 18380 1 522 . 1 1 78 78 PHE HB3 H 1 2.711 0.02 . 2 . . . . 118 PHE HB3 . 18380 1 523 . 1 1 78 78 PHE C C 13 174.237 0.20 . 1 . . . . 118 PHE C . 18380 1 524 . 1 1 78 78 PHE CA C 13 58.382 0.20 . 1 . . . . 118 PHE CA . 18380 1 525 . 1 1 78 78 PHE CB C 13 40.551 0.20 . 1 . . . . 118 PHE CB . 18380 1 526 . 1 1 78 78 PHE N N 15 130.369 0.20 . 1 . . . . 118 PHE N . 18380 1 527 . 1 1 79 79 LYS H H 1 8.333 0.02 . 1 . . . . 119 LYS H . 18380 1 528 . 1 1 79 79 LYS HA H 1 4.849 0.02 . 1 . . . . 119 LYS HA . 18380 1 529 . 1 1 79 79 LYS HB2 H 1 1.812 0.02 . 2 . . . . 119 LYS HB2 . 18380 1 530 . 1 1 79 79 LYS HB3 H 1 1.812 0.02 . 2 . . . . 119 LYS HB3 . 18380 1 531 . 1 1 79 79 LYS C C 13 175.412 0.20 . 1 . . . . 119 LYS C . 18380 1 532 . 1 1 79 79 LYS CA C 13 55.324 0.20 . 1 . . . . 119 LYS CA . 18380 1 533 . 1 1 79 79 LYS CB C 13 31.036 0.20 . 1 . . . . 119 LYS CB . 18380 1 534 . 1 1 79 79 LYS N N 15 129.748 0.20 . 1 . . . . 119 LYS N . 18380 1 535 . 1 1 80 80 ALA H H 1 8.807 0.02 . 1 . . . . 120 ALA H . 18380 1 536 . 1 1 80 80 ALA HA H 1 4.825 0.02 . 1 . . . . 120 ALA HA . 18380 1 537 . 1 1 80 80 ALA HB1 H 1 1.584 0.02 . 1 . . . . 120 ALA HB . 18380 1 538 . 1 1 80 80 ALA HB2 H 1 1.584 0.02 . 1 . . . . 120 ALA HB . 18380 1 539 . 1 1 80 80 ALA HB3 H 1 1.584 0.02 . 1 . . . . 120 ALA HB . 18380 1 540 . 1 1 80 80 ALA C C 13 176.120 0.20 . 1 . . . . 120 ALA C . 18380 1 541 . 1 1 80 80 ALA CA C 13 51.486 0.20 . 1 . . . . 120 ALA CA . 18380 1 542 . 1 1 80 80 ALA CB C 13 19.765 0.20 . 1 . . . . 120 ALA CB . 18380 1 543 . 1 1 80 80 ALA N N 15 129.689 0.20 . 1 . . . . 120 ALA N . 18380 1 544 . 1 1 81 81 ARG H H 1 9.862 0.02 . 1 . . . . 121 ARG H . 18380 1 545 . 1 1 81 81 ARG HA H 1 4.570 0.02 . 1 . . . . 121 ARG HA . 18380 1 546 . 1 1 81 81 ARG HB2 H 1 1.999 0.02 . 2 . . . . 121 ARG HB2 . 18380 1 547 . 1 1 81 81 ARG HB3 H 1 1.999 0.02 . 2 . . . . 121 ARG HB3 . 18380 1 548 . 1 1 81 81 ARG C C 13 176.751 0.20 . 1 . . . . 121 ARG C . 18380 1 549 . 1 1 81 81 ARG CA C 13 57.628 0.20 . 1 . . . . 121 ARG CA . 18380 1 550 . 1 1 81 81 ARG CB C 13 31.605 0.20 . 1 . . . . 121 ARG CB . 18380 1 551 . 1 1 81 81 ARG N N 15 125.129 0.20 . 1 . . . . 121 ARG N . 18380 1 552 . 1 1 82 82 THR H H 1 7.945 0.02 . 1 . . . . 122 THR H . 18380 1 553 . 1 1 82 82 THR C C 13 172.025 0.20 . 1 . . . . 122 THR C . 18380 1 554 . 1 1 82 82 THR CA C 13 60.272 0.20 . 1 . . . . 122 THR CA . 18380 1 555 . 1 1 82 82 THR CB C 13 72.242 0.20 . 1 . . . . 122 THR CB . 18380 1 556 . 1 1 82 82 THR N N 15 109.651 0.20 . 1 . . . . 122 THR N . 18380 1 557 . 1 1 83 83 LEU H H 1 8.176 0.02 . 1 . . . . 123 LEU H . 18380 1 558 . 1 1 83 83 LEU HA H 1 4.680 0.02 . 1 . . . . 123 LEU HA . 18380 1 559 . 1 1 83 83 LEU HB2 H 1 0.480 0.02 . 2 . . . . 123 LEU HB2 . 18380 1 560 . 1 1 83 83 LEU HB3 H 1 0.480 0.02 . 2 . . . . 123 LEU HB3 . 18380 1 561 . 1 1 83 83 LEU C C 13 173.790 0.20 . 1 . . . . 123 LEU C . 18380 1 562 . 1 1 83 83 LEU CA C 13 55.374 0.20 . 1 . . . . 123 LEU CA . 18380 1 563 . 1 1 83 83 LEU CB C 13 43.931 0.20 . 1 . . . . 123 LEU CB . 18380 1 564 . 1 1 83 83 LEU N N 15 123.162 0.20 . 1 . . . . 123 LEU N . 18380 1 565 . 1 1 84 84 MET H H 1 8.696 0.02 . 1 . . . . 124 MET H . 18380 1 566 . 1 1 84 84 MET HA H 1 4.839 0.02 . 1 . . . . 124 MET HA . 18380 1 567 . 1 1 84 84 MET HB2 H 1 2.044 0.02 . 2 . . . . 124 MET HB2 . 18380 1 568 . 1 1 84 84 MET HB3 H 1 2.044 0.02 . 2 . . . . 124 MET HB3 . 18380 1 569 . 1 1 84 84 MET C C 13 175.170 0.20 . 1 . . . . 124 MET C . 18380 1 570 . 1 1 84 84 MET CA C 13 54.281 0.20 . 1 . . . . 124 MET CA . 18380 1 571 . 1 1 84 84 MET CB C 13 35.950 0.20 . 1 . . . . 124 MET CB . 18380 1 572 . 1 1 84 84 MET N N 15 124.411 0.20 . 1 . . . . 124 MET N . 18380 1 573 . 1 1 85 85 THR H H 1 8.643 0.02 . 1 . . . . 125 THR H . 18380 1 574 . 1 1 85 85 THR C C 13 174.232 0.20 . 1 . . . . 125 THR C . 18380 1 575 . 1 1 85 85 THR CA C 13 60.448 0.20 . 1 . . . . 125 THR CA . 18380 1 576 . 1 1 85 85 THR CB C 13 69.845 0.20 . 1 . . . . 125 THR CB . 18380 1 577 . 1 1 85 85 THR N N 15 113.035 0.20 . 1 . . . . 125 THR N . 18380 1 578 . 1 1 86 86 LYS H H 1 8.401 0.02 . 1 . . . . 126 LYS H . 18380 1 579 . 1 1 86 86 LYS HA H 1 4.380 0.02 . 1 . . . . 126 LYS HA . 18380 1 580 . 1 1 86 86 LYS HB2 H 1 1.791 0.02 . 2 . . . . 126 LYS HB2 . 18380 1 581 . 1 1 86 86 LYS HB3 H 1 1.561 0.02 . 2 . . . . 126 LYS HB3 . 18380 1 582 . 1 1 86 86 LYS C C 13 175.843 0.20 . 1 . . . . 126 LYS C . 18380 1 583 . 1 1 86 86 LYS CA C 13 56.029 0.20 . 1 . . . . 126 LYS CA . 18380 1 584 . 1 1 86 86 LYS CB C 13 33.444 0.20 . 1 . . . . 126 LYS CB . 18380 1 585 . 1 1 86 86 LYS N N 15 123.209 0.20 . 1 . . . . 126 LYS N . 18380 1 586 . 1 1 87 87 CYS H H 1 8.554 0.02 . 1 . . . . 127 CYS H . 18380 1 587 . 1 1 87 87 CYS C C 13 172.849 0.20 . 1 . . . . 127 CYS C . 18380 1 588 . 1 1 87 87 CYS CA C 13 56.587 0.20 . 1 . . . . 127 CYS CA . 18380 1 589 . 1 1 87 87 CYS CB C 13 27.491 0.20 . 1 . . . . 127 CYS CB . 18380 1 590 . 1 1 87 87 CYS N N 15 123.912 0.20 . 1 . . . . 127 CYS N . 18380 1 591 . 1 1 88 88 PRO HA H 1 4.465 0.02 . 1 . . . . 128 PRO HA . 18380 1 592 . 1 1 88 88 PRO HB2 H 1 2.319 0.02 . 2 . . . . 128 PRO HB2 . 18380 1 593 . 1 1 88 88 PRO HB3 H 1 1.914 0.02 . 2 . . . . 128 PRO HB3 . 18380 1 594 . 1 1 88 88 PRO C C 13 176.983 0.20 . 1 . . . . 128 PRO C . 18380 1 595 . 1 1 88 88 PRO CA C 13 63.530 0.20 . 1 . . . . 128 PRO CA . 18380 1 596 . 1 1 88 88 PRO CB C 13 31.983 0.20 . 1 . . . . 128 PRO CB . 18380 1 597 . 1 1 89 89 SER H H 1 8.492 0.02 . 1 . . . . 129 SER H . 18380 1 598 . 1 1 89 89 SER HA H 1 3.854 0.02 . 1 . . . . 129 SER HA . 18380 1 599 . 1 1 89 89 SER C C 13 174.873 0.20 . 1 . . . . 129 SER C . 18380 1 600 . 1 1 89 89 SER CA C 13 58.722 0.20 . 1 . . . . 129 SER CA . 18380 1 601 . 1 1 89 89 SER CB C 13 64.093 0.20 . 1 . . . . 129 SER CB . 18380 1 602 . 1 1 89 89 SER N N 15 116.638 0.20 . 1 . . . . 129 SER N . 18380 1 603 . 1 1 90 90 LYS H H 1 8.346 0.02 . 1 . . . . 130 LYS H . 18380 1 604 . 1 1 90 90 LYS HA H 1 4.217 0.02 . 1 . . . . 130 LYS HA . 18380 1 605 . 1 1 90 90 LYS HB2 H 1 1.656 0.02 . 2 . . . . 130 LYS HB2 . 18380 1 606 . 1 1 90 90 LYS HB3 H 1 1.656 0.02 . 2 . . . . 130 LYS HB3 . 18380 1 607 . 1 1 90 90 LYS C C 13 176.284 0.20 . 1 . . . . 130 LYS C . 18380 1 608 . 1 1 90 90 LYS CA C 13 56.819 0.20 . 1 . . . . 130 LYS CA . 18380 1 609 . 1 1 90 90 LYS CB C 13 32.793 0.20 . 1 . . . . 130 LYS CB . 18380 1 610 . 1 1 90 90 LYS N N 15 122.993 0.20 . 1 . . . . 130 LYS N . 18380 1 611 . 1 1 91 91 TYR H H 1 8.102 0.02 . 1 . . . . 131 TYR H . 18380 1 612 . 1 1 91 91 TYR HA H 1 4.541 0.02 . 1 . . . . 131 TYR HA . 18380 1 613 . 1 1 91 91 TYR HB2 H 1 2.971 0.02 . 2 . . . . 131 TYR HB2 . 18380 1 614 . 1 1 91 91 TYR HB3 H 1 2.971 0.02 . 2 . . . . 131 TYR HB3 . 18380 1 615 . 1 1 91 91 TYR C C 13 175.756 0.20 . 1 . . . . 131 TYR C . 18380 1 616 . 1 1 91 91 TYR CA C 13 58.058 0.20 . 1 . . . . 131 TYR CA . 18380 1 617 . 1 1 91 91 TYR CB C 13 38.685 0.20 . 1 . . . . 131 TYR CB . 18380 1 618 . 1 1 91 91 TYR N N 15 120.396 0.20 . 1 . . . . 131 TYR N . 18380 1 619 . 1 1 92 92 GLN H H 1 8.110 0.02 . 1 . . . . 132 GLN H . 18380 1 620 . 1 1 92 92 GLN HA H 1 4.272 0.02 . 1 . . . . 132 GLN HA . 18380 1 621 . 1 1 92 92 GLN HB2 H 1 1.993 0.02 . 2 . . . . 132 GLN HB2 . 18380 1 622 . 1 1 92 92 GLN HB3 H 1 1.993 0.02 . 2 . . . . 132 GLN HB3 . 18380 1 623 . 1 1 92 92 GLN HE21 H 1 7.541 0.02 . 2 . . . . 132 GLN HE21 . 18380 1 624 . 1 1 92 92 GLN HE22 H 1 6.864 0.02 . 2 . . . . 132 GLN HE22 . 18380 1 625 . 1 1 92 92 GLN C C 13 175.570 0.20 . 1 . . . . 132 GLN C . 18380 1 626 . 1 1 92 92 GLN CA C 13 55.908 0.20 . 1 . . . . 132 GLN CA . 18380 1 627 . 1 1 92 92 GLN CB C 13 29.604 0.20 . 1 . . . . 132 GLN CB . 18380 1 628 . 1 1 92 92 GLN N N 15 122.429 0.20 . 1 . . . . 132 GLN N . 18380 1 629 . 1 1 92 92 GLN NE2 N 15 112.486 0.20 . 1 . . . . 132 GLN NE2 . 18380 1 630 . 1 1 93 93 LYS H H 1 8.291 0.02 . 1 . . . . 133 LYS H . 18380 1 631 . 1 1 93 93 LYS HA H 1 4.208 0.02 . 1 . . . . 133 LYS HA . 18380 1 632 . 1 1 93 93 LYS HB2 H 1 1.790 0.02 . 2 . . . . 133 LYS HB2 . 18380 1 633 . 1 1 93 93 LYS HB3 H 1 1.790 0.02 . 2 . . . . 133 LYS HB3 . 18380 1 634 . 1 1 93 93 LYS C C 13 176.600 0.20 . 1 . . . . 133 LYS C . 18380 1 635 . 1 1 93 93 LYS CA C 13 56.754 0.20 . 1 . . . . 133 LYS CA . 18380 1 636 . 1 1 93 93 LYS CB C 13 33.029 0.20 . 1 . . . . 133 LYS CB . 18380 1 637 . 1 1 93 93 LYS N N 15 122.832 0.20 . 1 . . . . 133 LYS N . 18380 1 638 . 1 1 94 94 GLU H H 1 8.475 0.02 . 1 . . . . 134 GLU H . 18380 1 639 . 1 1 94 94 GLU HA H 1 4.249 0.02 . 1 . . . . 134 GLU HA . 18380 1 640 . 1 1 94 94 GLU HB2 H 1 1.951 0.02 . 2 . . . . 134 GLU HB2 . 18380 1 641 . 1 1 94 94 GLU HB3 H 1 1.951 0.02 . 2 . . . . 134 GLU HB3 . 18380 1 642 . 1 1 94 94 GLU C C 13 176.200 0.20 . 1 . . . . 134 GLU C . 18380 1 643 . 1 1 94 94 GLU CA C 13 56.718 0.20 . 1 . . . . 134 GLU CA . 18380 1 644 . 1 1 94 94 GLU CB C 13 29.979 0.20 . 1 . . . . 134 GLU CB . 18380 1 645 . 1 1 94 94 GLU N N 15 121.587 0.20 . 1 . . . . 134 GLU N . 18380 1 646 . 1 1 95 95 ASN H H 1 8.486 0.02 . 1 . . . . 135 ASN H . 18380 1 647 . 1 1 95 95 ASN HA H 1 4.702 0.02 . 1 . . . . 135 ASN HA . 18380 1 648 . 1 1 95 95 ASN HB2 H 1 2.775 0.02 . 2 . . . . 135 ASN HB2 . 18380 1 649 . 1 1 95 95 ASN HB3 H 1 2.775 0.02 . 2 . . . . 135 ASN HB3 . 18380 1 650 . 1 1 95 95 ASN HD21 H 1 7.593 0.02 . 2 . . . . 135 ASN HD21 . 18380 1 651 . 1 1 95 95 ASN HD22 H 1 6.902 0.02 . 2 . . . . 135 ASN HD22 . 18380 1 652 . 1 1 95 95 ASN C C 13 175.021 0.20 . 1 . . . . 135 ASN C . 18380 1 653 . 1 1 95 95 ASN CA C 13 53.379 0.20 . 1 . . . . 135 ASN CA . 18380 1 654 . 1 1 95 95 ASN CB C 13 38.925 0.20 . 1 . . . . 135 ASN CB . 18380 1 655 . 1 1 95 95 ASN N N 15 120.253 0.20 . 1 . . . . 135 ASN N . 18380 1 656 . 1 1 95 95 ASN ND2 N 15 113.043 0.20 . 1 . . . . 135 ASN ND2 . 18380 1 657 . 1 1 96 96 ARG H H 1 8.384 0.02 . 1 . . . . 136 ARG H . 18380 1 658 . 1 1 96 96 ARG HA H 1 4.374 0.02 . 1 . . . . 136 ARG HA . 18380 1 659 . 1 1 96 96 ARG HB2 H 1 1.871 0.02 . 2 . . . . 136 ARG HB2 . 18380 1 660 . 1 1 96 96 ARG HB3 H 1 1.871 0.02 . 2 . . . . 136 ARG HB3 . 18380 1 661 . 1 1 96 96 ARG C C 13 175.815 0.20 . 1 . . . . 136 ARG C . 18380 1 662 . 1 1 96 96 ARG CA C 13 56.203 0.20 . 1 . . . . 136 ARG CA . 18380 1 663 . 1 1 96 96 ARG CB C 13 30.631 0.20 . 1 . . . . 136 ARG CB . 18380 1 664 . 1 1 96 96 ARG N N 15 122.254 0.20 . 1 . . . . 136 ARG N . 18380 1 665 . 1 1 97 97 GLY H H 1 8.072 0.02 . 1 . . . . 137 GLY H . 18380 1 666 . 1 1 97 97 GLY CA C 13 46.210 0.20 . 1 . . . . 137 GLY CA . 18380 1 667 . 1 1 97 97 GLY N N 15 116.059 0.20 . 1 . . . . 137 GLY N . 18380 1 stop_ save_