################################### # 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_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 30956 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _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 $chem_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' . . . 30956 1 2 '3D HNCACB' . . . 30956 1 3 '3D CBCA(CO)NH' . . . 30956 1 4 '3D HNCO' . . . 30956 1 5 '3D 1H-15N NOESY' . . . 30956 1 6 '3D HN(CA)CO' . . . 30956 1 7 '3D HBHA(CO)NH' . . . 30956 1 8 '3D HCCH-TOCSY' . . . 30956 1 9 '3D HCCH-TOCSY' . . . 30956 1 10 '3D C(CO)NH' . . . 30956 1 11 '3D H(CCO)NH' . . . 30956 1 12 '3d Har(CC-TOCSY-CGCBCACO)NH' . . . 30956 1 13 '2D hbCBcgcdceHE' . . . 30956 1 14 '2D hbCBcgcdHD' . . . 30956 1 15 '2D 1H-13C HSQC aromatic' . . . 30956 1 16 '2D 1H-13C HSQC aliphatic' . . . 30956 1 17 '2D 1H-15N HSQC long-range' . . . 30956 1 18 '2D 1H-13C HSQC CT' . . . 30956 1 19 '2D 1H-13C HSQC CT' . . . 30956 1 20 '3D 1H-13C NOESY aromatic' . . . 30956 1 21 '3D 1H-13C NOESY aliphatic' . . . 30956 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 1 1 ALA HA H 1 4.017 0.020 . 1 . . . . A 1 ALA HA . 30956 1 2 . 1 . 1 1 1 ALA HB1 H 1 1.472 0.020 . 1 . . . . A 1 ALA HB1 . 30956 1 3 . 1 . 1 1 1 ALA HB2 H 1 1.472 0.020 . 1 . . . . A 1 ALA HB2 . 30956 1 4 . 1 . 1 1 1 ALA HB3 H 1 1.472 0.020 . 1 . . . . A 1 ALA HB3 . 30956 1 5 . 1 . 1 1 1 ALA CA C 13 51.582 0.3 . 1 . . . . A 1 ALA CA . 30956 1 6 . 1 . 1 1 1 ALA CB C 13 19.415 0.3 . 1 . . . . A 1 ALA CB . 30956 1 7 . 1 . 1 2 2 GLU HA H 1 4.256 0.020 . 1 . . . . A 2 GLU HA . 30956 1 8 . 1 . 1 2 2 GLU HB2 H 1 1.909 0.020 . 2 . . . . A 2 GLU HB2 . 30956 1 9 . 1 . 1 2 2 GLU HB3 H 1 2.034 0.020 . 2 . . . . A 2 GLU HB3 . 30956 1 10 . 1 . 1 2 2 GLU HG2 H 1 2.226 0.020 . 1 . . . . A 2 GLU HG2 . 30956 1 11 . 1 . 1 2 2 GLU HG3 H 1 2.226 0.020 . 1 . . . . A 2 GLU HG3 . 30956 1 12 . 1 . 1 2 2 GLU C C 13 176.335 0.3 . 1 . . . . A 2 GLU C . 30956 1 13 . 1 . 1 2 2 GLU CA C 13 56.555 0.3 . 1 . . . . A 2 GLU CA . 30956 1 14 . 1 . 1 2 2 GLU CB C 13 30.045 0.3 . 1 . . . . A 2 GLU CB . 30956 1 15 . 1 . 1 2 2 GLU CG C 13 36.265 0.3 . 1 . . . . A 2 GLU CG . 30956 1 16 . 1 . 1 3 3 GLU H H 1 8.601 0.020 . 1 . . . . A 3 GLU H . 30956 1 17 . 1 . 1 3 3 GLU HA H 1 4.194 0.020 . 1 . . . . A 3 GLU HA . 30956 1 18 . 1 . 1 3 3 GLU HB2 H 1 1.867 0.020 . 2 . . . . A 3 GLU HB2 . 30956 1 19 . 1 . 1 3 3 GLU HB3 H 1 1.933 0.020 . 2 . . . . A 3 GLU HB3 . 30956 1 20 . 1 . 1 3 3 GLU HG2 H 1 2.196 0.020 . 1 . . . . A 3 GLU HG2 . 30956 1 21 . 1 . 1 3 3 GLU HG3 H 1 2.196 0.020 . 1 . . . . A 3 GLU HG3 . 30956 1 22 . 1 . 1 3 3 GLU C C 13 176.288 0.3 . 1 . . . . A 3 GLU C . 30956 1 23 . 1 . 1 3 3 GLU CA C 13 56.555 0.3 . 1 . . . . A 3 GLU CA . 30956 1 24 . 1 . 1 3 3 GLU CB C 13 30.045 0.3 . 1 . . . . A 3 GLU CB . 30956 1 25 . 1 . 1 3 3 GLU CG C 13 36.194 0.3 . 1 . . . . A 3 GLU CG . 30956 1 26 . 1 . 1 3 3 GLU N N 15 121.990 0.3 . 1 . . . . A 3 GLU N . 30956 1 27 . 1 . 1 4 4 GLU H H 1 8.449 0.020 . 1 . . . . A 4 GLU H . 30956 1 28 . 1 . 1 4 4 GLU HA H 1 4.185 0.020 . 1 . . . . A 4 GLU HA . 30956 1 29 . 1 . 1 4 4 GLU HB2 H 1 1.872 0.020 . 1 . . . . A 4 GLU HB2 . 30956 1 30 . 1 . 1 4 4 GLU HB3 H 1 1.872 0.020 . 1 . . . . A 4 GLU HB3 . 30956 1 31 . 1 . 1 4 4 GLU HG2 H 1 2.142 0.020 . 1 . . . . A 4 GLU HG2 . 30956 1 32 . 1 . 1 4 4 GLU HG3 H 1 2.142 0.020 . 1 . . . . A 4 GLU HG3 . 30956 1 33 . 1 . 1 4 4 GLU C C 13 176.066 0.3 . 1 . . . . A 4 GLU C . 30956 1 34 . 1 . 1 4 4 GLU CA C 13 56.593 0.3 . 1 . . . . A 4 GLU CA . 30956 1 35 . 1 . 1 4 4 GLU CB C 13 30.298 0.3 . 1 . . . . A 4 GLU CB . 30956 1 36 . 1 . 1 4 4 GLU CG C 13 36.194 0.3 . 1 . . . . A 4 GLU CG . 30956 1 37 . 1 . 1 4 4 GLU N N 15 122.344 0.3 . 1 . . . . A 4 GLU N . 30956 1 38 . 1 . 1 5 5 TYR H H 1 8.300 0.020 . 1 . . . . A 5 TYR H . 30956 1 39 . 1 . 1 5 5 TYR HA H 1 4.500 0.020 . 1 . . . . A 5 TYR HA . 30956 1 40 . 1 . 1 5 5 TYR HB2 H 1 2.926 0.020 . 1 . . . . A 5 TYR HB2 . 30956 1 41 . 1 . 1 5 5 TYR HB3 H 1 2.926 0.020 . 1 . . . . A 5 TYR HB3 . 30956 1 42 . 1 . 1 5 5 TYR HD1 H 1 7.057 0.020 . 1 . . . . A 5 TYR HD1 . 30956 1 43 . 1 . 1 5 5 TYR HD2 H 1 7.057 0.020 . 1 . . . . A 5 TYR HD2 . 30956 1 44 . 1 . 1 5 5 TYR HE1 H 1 6.810 0.020 . 1 . . . . A 5 TYR HE1 . 30956 1 45 . 1 . 1 5 5 TYR HE2 H 1 6.810 0.020 . 1 . . . . A 5 TYR HE2 . 30956 1 46 . 1 . 1 5 5 TYR C C 13 174.912 0.3 . 1 . . . . A 5 TYR C . 30956 1 47 . 1 . 1 5 5 TYR CA C 13 57.771 0.3 . 1 . . . . A 5 TYR CA . 30956 1 48 . 1 . 1 5 5 TYR CB C 13 38.751 0.3 . 1 . . . . A 5 TYR CB . 30956 1 49 . 1 . 1 5 5 TYR CD1 C 13 132.925 0.3 . 1 . . . . A 5 TYR CD1 . 30956 1 50 . 1 . 1 5 5 TYR CD2 C 13 132.925 0.3 . 1 . . . . A 5 TYR CD2 . 30956 1 51 . 1 . 1 5 5 TYR CE1 C 13 118.244 0.3 . 1 . . . . A 5 TYR CE1 . 30956 1 52 . 1 . 1 5 5 TYR CE2 C 13 118.244 0.3 . 1 . . . . A 5 TYR CE2 . 30956 1 53 . 1 . 1 5 5 TYR N N 15 122.144 0.3 . 1 . . . . A 5 TYR N . 30956 1 54 . 1 . 1 6 6 ALA H H 1 8.138 0.020 . 1 . . . . A 6 ALA H . 30956 1 55 . 1 . 1 6 6 ALA HA H 1 4.319 0.020 . 1 . . . . A 6 ALA HA . 30956 1 56 . 1 . 1 6 6 ALA HB1 H 1 1.276 0.020 . 1 . . . . A 6 ALA HB1 . 30956 1 57 . 1 . 1 6 6 ALA HB2 H 1 1.276 0.020 . 1 . . . . A 6 ALA HB2 . 30956 1 58 . 1 . 1 6 6 ALA HB3 H 1 1.276 0.020 . 1 . . . . A 6 ALA HB3 . 30956 1 59 . 1 . 1 6 6 ALA C C 13 176.632 0.3 . 1 . . . . A 6 ALA C . 30956 1 60 . 1 . 1 6 6 ALA CA C 13 51.839 0.3 . 1 . . . . A 6 ALA CA . 30956 1 61 . 1 . 1 6 6 ALA CB C 13 19.531 0.3 . 1 . . . . A 6 ALA CB . 30956 1 62 . 1 . 1 6 6 ALA N N 15 127.784 0.3 . 1 . . . . A 6 ALA N . 30956 1 63 . 1 . 1 7 7 GLU H H 1 8.186 0.020 . 1 . . . . A 7 GLU H . 30956 1 64 . 1 . 1 7 7 GLU HA H 1 4.226 0.020 . 1 . . . . A 7 GLU HA . 30956 1 65 . 1 . 1 7 7 GLU HB2 H 1 2.082 0.020 . 2 . . . . A 7 GLU HB2 . 30956 1 66 . 1 . 1 7 7 GLU HB3 H 1 1.979 0.020 . 2 . . . . A 7 GLU HB3 . 30956 1 67 . 1 . 1 7 7 GLU HG2 H 1 2.490 0.020 . 2 . . . . A 7 GLU HG2 . 30956 1 68 . 1 . 1 7 7 GLU HG3 H 1 2.419 0.020 . 2 . . . . A 7 GLU HG3 . 30956 1 69 . 1 . 1 7 7 GLU C C 13 175.623 0.3 . 1 . . . . A 7 GLU C . 30956 1 70 . 1 . 1 7 7 GLU CA C 13 56.392 0.3 . 1 . . . . A 7 GLU CA . 30956 1 71 . 1 . 1 7 7 GLU CB C 13 31.362 0.3 . 1 . . . . A 7 GLU CB . 30956 1 72 . 1 . 1 7 7 GLU CG C 13 36.007 0.3 . 1 . . . . A 7 GLU CG . 30956 1 73 . 1 . 1 7 7 GLU N N 15 121.517 0.3 . 1 . . . . A 7 GLU N . 30956 1 74 . 1 . 1 8 8 ASP H H 1 8.489 0.020 . 1 . . . . A 8 ASP H . 30956 1 75 . 1 . 1 8 8 ASP HA H 1 4.578 0.020 . 1 . . . . A 8 ASP HA . 30956 1 76 . 1 . 1 8 8 ASP HB2 H 1 2.474 0.020 . 1 . . . . A 8 ASP HB2 . 30956 1 77 . 1 . 1 8 8 ASP HB3 H 1 2.474 0.020 . 1 . . . . A 8 ASP HB3 . 30956 1 78 . 1 . 1 8 8 ASP C C 13 174.833 0.3 . 1 . . . . A 8 ASP C . 30956 1 79 . 1 . 1 8 8 ASP CA C 13 53.465 0.3 . 1 . . . . A 8 ASP CA . 30956 1 80 . 1 . 1 8 8 ASP CB C 13 41.383 0.3 . 1 . . . . A 8 ASP CB . 30956 1 81 . 1 . 1 8 8 ASP N N 15 124.145 0.3 . 1 . . . . A 8 ASP N . 30956 1 82 . 1 . 1 9 9 CYS H H 1 7.939 0.020 . 1 . . . . A 9 CYS H . 30956 1 83 . 1 . 1 9 9 CYS HA H 1 2.256 0.020 . 1 . . . . A 9 CYS HA . 30956 1 84 . 1 . 1 9 9 CYS HB2 H 1 2.054 0.020 . 2 . . . . A 9 CYS HB2 . 30956 1 85 . 1 . 1 9 9 CYS HB3 H 1 1.173 0.020 . 2 . . . . A 9 CYS HB3 . 30956 1 86 . 1 . 1 9 9 CYS C C 13 172.864 0.3 . 1 . . . . A 9 CYS C . 30956 1 87 . 1 . 1 9 9 CYS CA C 13 56.441 0.3 . 1 . . . . A 9 CYS CA . 30956 1 88 . 1 . 1 9 9 CYS CB C 13 26.191 0.3 . 1 . . . . A 9 CYS CB . 30956 1 89 . 1 . 1 9 9 CYS N N 15 123.370 0.3 . 1 . . . . A 9 CYS N . 30956 1 90 . 1 . 1 10 10 PRO HA H 1 4.497 0.020 . 1 . . . . A 10 PRO HA . 30956 1 91 . 1 . 1 10 10 PRO HB2 H 1 2.167 0.020 . 2 . . . . A 10 PRO HB2 . 30956 1 92 . 1 . 1 10 10 PRO HB3 H 1 1.908 0.020 . 2 . . . . A 10 PRO HB3 . 30956 1 93 . 1 . 1 10 10 PRO HG2 H 1 1.914 0.020 . 2 . . . . A 10 PRO HG2 . 30956 1 94 . 1 . 1 10 10 PRO HG3 H 1 2.270 0.020 . 2 . . . . A 10 PRO HG3 . 30956 1 95 . 1 . 1 10 10 PRO HD2 H 1 3.056 0.020 . 2 . . . . A 10 PRO HD2 . 30956 1 96 . 1 . 1 10 10 PRO HD3 H 1 3.406 0.020 . 2 . . . . A 10 PRO HD3 . 30956 1 97 . 1 . 1 10 10 PRO C C 13 175.067 0.3 . 1 . . . . A 10 PRO C . 30956 1 98 . 1 . 1 10 10 PRO CA C 13 62.258 0.3 . 1 . . . . A 10 PRO CA . 30956 1 99 . 1 . 1 10 10 PRO CB C 13 32.729 0.3 . 1 . . . . A 10 PRO CB . 30956 1 100 . 1 . 1 10 10 PRO CG C 13 26.334 0.3 . 1 . . . . A 10 PRO CG . 30956 1 101 . 1 . 1 10 10 PRO CD C 13 51.304 0.3 . 1 . . . . A 10 PRO CD . 30956 1 102 . 1 . 1 11 11 GLU H H 1 8.155 0.020 . 1 . . . . A 11 GLU H . 30956 1 103 . 1 . 1 11 11 GLU HA H 1 4.167 0.020 . 1 . . . . A 11 GLU HA . 30956 1 104 . 1 . 1 11 11 GLU HB2 H 1 1.854 0.020 . 1 . . . . A 11 GLU HB2 . 30956 1 105 . 1 . 1 11 11 GLU HB3 H 1 1.854 0.020 . 1 . . . . A 11 GLU HB3 . 30956 1 106 . 1 . 1 11 11 GLU HG2 H 1 2.246 0.020 . 1 . . . . A 11 GLU HG2 . 30956 1 107 . 1 . 1 11 11 GLU HG3 H 1 2.246 0.020 . 1 . . . . A 11 GLU HG3 . 30956 1 108 . 1 . 1 11 11 GLU C C 13 176.620 0.3 . 1 . . . . A 11 GLU C . 30956 1 109 . 1 . 1 11 11 GLU CA C 13 56.067 0.3 . 1 . . . . A 11 GLU CA . 30956 1 110 . 1 . 1 11 11 GLU CB C 13 29.720 0.3 . 1 . . . . A 11 GLU CB . 30956 1 111 . 1 . 1 11 11 GLU CG C 13 36.341 0.3 . 1 . . . . A 11 GLU CG . 30956 1 112 . 1 . 1 11 11 GLU N N 15 117.949 0.3 . 1 . . . . A 11 GLU N . 30956 1 113 . 1 . 1 12 12 LEU H H 1 8.874 0.020 . 1 . . . . A 12 LEU H . 30956 1 114 . 1 . 1 12 12 LEU HA H 1 3.988 0.020 . 1 . . . . A 12 LEU HA . 30956 1 115 . 1 . 1 12 12 LEU HB2 H 1 1.291 0.020 . 2 . . . . A 12 LEU HB2 . 30956 1 116 . 1 . 1 12 12 LEU HB3 H 1 1.553 0.020 . 2 . . . . A 12 LEU HB3 . 30956 1 117 . 1 . 1 12 12 LEU HG H 1 1.270 0.020 . 1 . . . . A 12 LEU HG . 30956 1 118 . 1 . 1 12 12 LEU HD11 H 1 0.336 0.020 . 2 . . . . A 12 LEU HD11 . 30956 1 119 . 1 . 1 12 12 LEU HD12 H 1 0.336 0.020 . 2 . . . . A 12 LEU HD12 . 30956 1 120 . 1 . 1 12 12 LEU HD13 H 1 0.336 0.020 . 2 . . . . A 12 LEU HD13 . 30956 1 121 . 1 . 1 12 12 LEU HD21 H 1 -0.624 0.020 . 2 . . . . A 12 LEU HD21 . 30956 1 122 . 1 . 1 12 12 LEU HD22 H 1 -0.624 0.020 . 2 . . . . A 12 LEU HD22 . 30956 1 123 . 1 . 1 12 12 LEU HD23 H 1 -0.624 0.020 . 2 . . . . A 12 LEU HD23 . 30956 1 124 . 1 . 1 12 12 LEU C C 13 176.807 0.3 . 1 . . . . A 12 LEU C . 30956 1 125 . 1 . 1 12 12 LEU CA C 13 55.010 0.3 . 1 . . . . A 12 LEU CA . 30956 1 126 . 1 . 1 12 12 LEU CB C 13 44.620 0.3 . 1 . . . . A 12 LEU CB . 30956 1 127 . 1 . 1 12 12 LEU CG C 13 26.990 0.3 . 1 . . . . A 12 LEU CG . 30956 1 128 . 1 . 1 12 12 LEU CD1 C 13 27.495 0.3 . 1 . . . . A 12 LEU CD1 . 30956 1 129 . 1 . 1 12 12 LEU CD2 C 13 21.197 0.3 . 1 . . . . A 12 LEU CD2 . 30956 1 130 . 1 . 1 12 12 LEU N N 15 124.224 0.3 . 1 . . . . A 12 LEU N . 30956 1 131 . 1 . 1 13 13 VAL H H 1 8.375 0.020 . 1 . . . . A 13 VAL H . 30956 1 132 . 1 . 1 13 13 VAL HA H 1 4.890 0.020 . 1 . . . . A 13 VAL HA . 30956 1 133 . 1 . 1 13 13 VAL HB H 1 2.275 0.020 . 1 . . . . A 13 VAL HB . 30956 1 134 . 1 . 1 13 13 VAL HG11 H 1 0.975 0.020 . 2 . . . . A 13 VAL HG11 . 30956 1 135 . 1 . 1 13 13 VAL HG12 H 1 0.975 0.020 . 2 . . . . A 13 VAL HG12 . 30956 1 136 . 1 . 1 13 13 VAL HG13 H 1 0.975 0.020 . 2 . . . . A 13 VAL HG13 . 30956 1 137 . 1 . 1 13 13 VAL HG21 H 1 0.793 0.020 . 2 . . . . A 13 VAL HG21 . 30956 1 138 . 1 . 1 13 13 VAL HG22 H 1 0.793 0.020 . 2 . . . . A 13 VAL HG22 . 30956 1 139 . 1 . 1 13 13 VAL HG23 H 1 0.793 0.020 . 2 . . . . A 13 VAL HG23 . 30956 1 140 . 1 . 1 13 13 VAL C C 13 173.429 0.3 . 1 . . . . A 13 VAL C . 30956 1 141 . 1 . 1 13 13 VAL CA C 13 57.612 0.3 . 1 . . . . A 13 VAL CA . 30956 1 142 . 1 . 1 13 13 VAL CB C 13 32.625 0.3 . 1 . . . . A 13 VAL CB . 30956 1 143 . 1 . 1 13 13 VAL CG1 C 13 21.740 0.3 . 1 . . . . A 13 VAL CG1 . 30956 1 144 . 1 . 1 13 13 VAL CG2 C 13 18.806 0.3 . 1 . . . . A 13 VAL CG2 . 30956 1 145 . 1 . 1 13 13 VAL N N 15 112.322 0.3 . 1 . . . . A 13 VAL N . 30956 1 146 . 1 . 1 14 14 PRO HA H 1 4.587 0.020 . 1 . . . . A 14 PRO HA . 30956 1 147 . 1 . 1 14 14 PRO HB2 H 1 1.786 0.020 . 2 . . . . A 14 PRO HB2 . 30956 1 148 . 1 . 1 14 14 PRO HB3 H 1 2.372 0.020 . 2 . . . . A 14 PRO HB3 . 30956 1 149 . 1 . 1 14 14 PRO HG2 H 1 1.910 0.020 . 2 . . . . A 14 PRO HG2 . 30956 1 150 . 1 . 1 14 14 PRO HG3 H 1 2.065 0.020 . 2 . . . . A 14 PRO HG3 . 30956 1 151 . 1 . 1 14 14 PRO HD2 H 1 3.627 0.020 . 2 . . . . A 14 PRO HD2 . 30956 1 152 . 1 . 1 14 14 PRO HD3 H 1 3.801 0.020 . 2 . . . . A 14 PRO HD3 . 30956 1 153 . 1 . 1 14 14 PRO C C 13 177.094 0.3 . 1 . . . . A 14 PRO C . 30956 1 154 . 1 . 1 14 14 PRO CA C 13 63.223 0.3 . 1 . . . . A 14 PRO CA . 30956 1 155 . 1 . 1 14 14 PRO CB C 13 32.241 0.3 . 1 . . . . A 14 PRO CB . 30956 1 156 . 1 . 1 14 14 PRO CG C 13 27.764 0.3 . 1 . . . . A 14 PRO CG . 30956 1 157 . 1 . 1 14 14 PRO CD C 13 50.835 0.3 . 1 . . . . A 14 PRO CD . 30956 1 158 . 1 . 1 15 15 ILE H H 1 7.627 0.020 . 1 . . . . A 15 ILE H . 30956 1 159 . 1 . 1 15 15 ILE HA H 1 3.914 0.020 . 1 . . . . A 15 ILE HA . 30956 1 160 . 1 . 1 15 15 ILE HB H 1 1.444 0.020 . 1 . . . . A 15 ILE HB . 30956 1 161 . 1 . 1 15 15 ILE HG12 H 1 0.736 0.020 . 2 . . . . A 15 ILE HG12 . 30956 1 162 . 1 . 1 15 15 ILE HG13 H 1 1.245 0.020 . 2 . . . . A 15 ILE HG13 . 30956 1 163 . 1 . 1 15 15 ILE HG21 H 1 0.697 0.020 . 1 . . . . A 15 ILE HG21 . 30956 1 164 . 1 . 1 15 15 ILE HG22 H 1 0.697 0.020 . 1 . . . . A 15 ILE HG22 . 30956 1 165 . 1 . 1 15 15 ILE HG23 H 1 0.697 0.020 . 1 . . . . A 15 ILE HG23 . 30956 1 166 . 1 . 1 15 15 ILE HD11 H 1 0.371 0.020 . 1 . . . . A 15 ILE HD11 . 30956 1 167 . 1 . 1 15 15 ILE HD12 H 1 0.371 0.020 . 1 . . . . A 15 ILE HD12 . 30956 1 168 . 1 . 1 15 15 ILE HD13 H 1 0.371 0.020 . 1 . . . . A 15 ILE HD13 . 30956 1 169 . 1 . 1 15 15 ILE C C 13 176.066 0.3 . 1 . . . . A 15 ILE C . 30956 1 170 . 1 . 1 15 15 ILE CA C 13 62.491 0.3 . 1 . . . . A 15 ILE CA . 30956 1 171 . 1 . 1 15 15 ILE CB C 13 39.069 0.3 . 1 . . . . A 15 ILE CB . 30956 1 172 . 1 . 1 15 15 ILE CG1 C 13 28.279 0.3 . 1 . . . . A 15 ILE CG1 . 30956 1 173 . 1 . 1 15 15 ILE CG2 C 13 17.143 0.3 . 1 . . . . A 15 ILE CG2 . 30956 1 174 . 1 . 1 15 15 ILE CD1 C 13 14.121 0.3 . 1 . . . . A 15 ILE CD1 . 30956 1 175 . 1 . 1 15 15 ILE N N 15 121.215 0.3 . 1 . . . . A 15 ILE N . 30956 1 176 . 1 . 1 16 16 GLU H H 1 8.509 0.020 . 1 . . . . A 16 GLU H . 30956 1 177 . 1 . 1 16 16 GLU HA H 1 4.355 0.020 . 1 . . . . A 16 GLU HA . 30956 1 178 . 1 . 1 16 16 GLU HB2 H 1 1.997 0.020 . 2 . . . . A 16 GLU HB2 . 30956 1 179 . 1 . 1 16 16 GLU HB3 H 1 1.911 0.020 . 2 . . . . A 16 GLU HB3 . 30956 1 180 . 1 . 1 16 16 GLU HG2 H 1 2.208 0.020 . 1 . . . . A 16 GLU HG2 . 30956 1 181 . 1 . 1 16 16 GLU HG3 H 1 2.208 0.020 . 1 . . . . A 16 GLU HG3 . 30956 1 182 . 1 . 1 16 16 GLU C C 13 176.283 0.3 . 1 . . . . A 16 GLU C . 30956 1 183 . 1 . 1 16 16 GLU CA C 13 56.230 0.3 . 1 . . . . A 16 GLU CA . 30956 1 184 . 1 . 1 16 16 GLU CB C 13 30.705 0.3 . 1 . . . . A 16 GLU CB . 30956 1 185 . 1 . 1 16 16 GLU CG C 13 36.279 0.3 . 1 . . . . A 16 GLU CG . 30956 1 186 . 1 . 1 16 16 GLU N N 15 127.200 0.3 . 1 . . . . A 16 GLU N . 30956 1 187 . 1 . 1 17 17 THR H H 1 8.373 0.020 . 1 . . . . A 17 THR H . 30956 1 188 . 1 . 1 17 17 THR HA H 1 4.275 0.020 . 1 . . . . A 17 THR HA . 30956 1 189 . 1 . 1 17 17 THR HB H 1 4.149 0.020 . 1 . . . . A 17 THR HB . 30956 1 190 . 1 . 1 17 17 THR HG21 H 1 1.131 0.020 . 1 . . . . A 17 THR HG21 . 30956 1 191 . 1 . 1 17 17 THR HG22 H 1 1.131 0.020 . 1 . . . . A 17 THR HG22 . 30956 1 192 . 1 . 1 17 17 THR HG23 H 1 1.131 0.020 . 1 . . . . A 17 THR HG23 . 30956 1 193 . 1 . 1 17 17 THR C C 13 174.738 0.3 . 1 . . . . A 17 THR C . 30956 1 194 . 1 . 1 17 17 THR CA C 13 61.841 0.3 . 1 . . . . A 17 THR CA . 30956 1 195 . 1 . 1 17 17 THR CB C 13 69.728 0.3 . 1 . . . . A 17 THR CB . 30956 1 196 . 1 . 1 17 17 THR CG2 C 13 21.574 0.3 . 1 . . . . A 17 THR CG2 . 30956 1 197 . 1 . 1 17 17 THR N N 15 117.253 0.3 . 1 . . . . A 17 THR N . 30956 1 198 . 1 . 1 18 18 LYS H H 1 8.465 0.020 . 1 . . . . A 18 LYS H . 30956 1 199 . 1 . 1 18 18 LYS HA H 1 4.286 0.020 . 1 . . . . A 18 LYS HA . 30956 1 200 . 1 . 1 18 18 LYS HB2 H 1 1.756 0.020 . 1 . . . . A 18 LYS HB2 . 30956 1 201 . 1 . 1 18 18 LYS HB3 H 1 1.756 0.020 . 1 . . . . A 18 LYS HB3 . 30956 1 202 . 1 . 1 18 18 LYS HG2 H 1 1.384 0.020 . 1 . . . . A 18 LYS HG2 . 30956 1 203 . 1 . 1 18 18 LYS HG3 H 1 1.384 0.020 . 1 . . . . A 18 LYS HG3 . 30956 1 204 . 1 . 1 18 18 LYS HD2 H 1 1.625 0.020 . 1 . . . . A 18 LYS HD2 . 30956 1 205 . 1 . 1 18 18 LYS HD3 H 1 1.625 0.020 . 1 . . . . A 18 LYS HD3 . 30956 1 206 . 1 . 1 18 18 LYS HE2 H 1 2.928 0.020 . 1 . . . . A 18 LYS HE2 . 30956 1 207 . 1 . 1 18 18 LYS HE3 H 1 2.928 0.020 . 1 . . . . A 18 LYS HE3 . 30956 1 208 . 1 . 1 18 18 LYS C C 13 176.283 0.3 . 1 . . . . A 18 LYS C . 30956 1 209 . 1 . 1 18 18 LYS CA C 13 56.448 0.3 . 1 . . . . A 18 LYS CA . 30956 1 210 . 1 . 1 18 18 LYS CB C 13 32.892 0.3 . 1 . . . . A 18 LYS CB . 30956 1 211 . 1 . 1 18 18 LYS CG C 13 24.715 0.3 . 1 . . . . A 18 LYS CG . 30956 1 212 . 1 . 1 18 18 LYS CD C 13 28.929 0.3 . 1 . . . . A 18 LYS CD . 30956 1 213 . 1 . 1 18 18 LYS CE C 13 41.926 0.3 . 1 . . . . A 18 LYS CE . 30956 1 214 . 1 . 1 18 18 LYS N N 15 123.599 0.3 . 1 . . . . A 18 LYS N . 30956 1 215 . 1 . 1 19 19 ASN H H 1 8.437 0.020 . 1 . . . . A 19 ASN H . 30956 1 216 . 1 . 1 19 19 ASN HA H 1 4.613 0.020 . 1 . . . . A 19 ASN HA . 30956 1 217 . 1 . 1 19 19 ASN HB2 H 1 2.837 0.020 . 2 . . . . A 19 ASN HB2 . 30956 1 218 . 1 . 1 19 19 ASN HB3 H 1 2.761 0.020 . 2 . . . . A 19 ASN HB3 . 30956 1 219 . 1 . 1 19 19 ASN HD21 H 1 7.633 0.020 . 1 . . . . A 19 ASN HD21 . 30956 1 220 . 1 . 1 19 19 ASN HD22 H 1 6.964 0.020 . 1 . . . . A 19 ASN HD22 . 30956 1 221 . 1 . 1 19 19 ASN C C 13 175.275 0.3 . 1 . . . . A 19 ASN C . 30956 1 222 . 1 . 1 19 19 ASN CA C 13 53.473 0.3 . 1 . . . . A 19 ASN CA . 30956 1 223 . 1 . 1 19 19 ASN CB C 13 38.502 0.3 . 1 . . . . A 19 ASN CB . 30956 1 224 . 1 . 1 19 19 ASN CG C 13 177.042 0.3 . 1 . . . . A 19 ASN CG . 30956 1 225 . 1 . 1 19 19 ASN N N 15 118.768 0.3 . 1 . . . . A 19 ASN N . 30956 1 226 . 1 . 1 19 19 ASN ND2 N 15 112.965 0.3 . 1 . . . . A 19 ASN ND2 . 30956 1 227 . 1 . 1 20 20 GLN H H 1 8.343 0.020 . 1 . . . . A 20 GLN H . 30956 1 228 . 1 . 1 20 20 GLN HA H 1 4.232 0.020 . 1 . . . . A 20 GLN HA . 30956 1 229 . 1 . 1 20 20 GLN HB2 H 1 2.095 0.020 . 2 . . . . A 20 GLN HB2 . 30956 1 230 . 1 . 1 20 20 GLN HB3 H 1 1.960 0.020 . 2 . . . . A 20 GLN HB3 . 30956 1 231 . 1 . 1 20 20 GLN HG2 H 1 2.301 0.020 . 1 . . . . A 20 GLN HG2 . 30956 1 232 . 1 . 1 20 20 GLN HG3 H 1 2.301 0.020 . 1 . . . . A 20 GLN HG3 . 30956 1 233 . 1 . 1 20 20 GLN HE21 H 1 7.507 0.020 . 1 . . . . A 20 GLN HE21 . 30956 1 234 . 1 . 1 20 20 GLN HE22 H 1 6.848 0.020 . 1 . . . . A 20 GLN HE22 . 30956 1 235 . 1 . 1 20 20 GLN C C 13 176.114 0.3 . 1 . . . . A 20 GLN C . 30956 1 236 . 1 . 1 20 20 GLN CA C 13 56.390 0.3 . 1 . . . . A 20 GLN CA . 30956 1 237 . 1 . 1 20 20 GLN CB C 13 29.204 0.3 . 1 . . . . A 20 GLN CB . 30956 1 238 . 1 . 1 20 20 GLN CG C 13 33.750 0.3 . 1 . . . . A 20 GLN CG . 30956 1 239 . 1 . 1 20 20 GLN N N 15 119.904 0.3 . 1 . . . . A 20 GLN N . 30956 1 240 . 1 . 1 20 20 GLN NE2 N 15 112.219 0.3 . 1 . . . . A 20 GLN NE2 . 30956 1 241 . 1 . 1 21 21 GLU H H 1 8.471 0.020 . 1 . . . . A 21 GLU H . 30956 1 242 . 1 . 1 21 21 GLU HA H 1 4.185 0.020 . 1 . . . . A 21 GLU HA . 30956 1 243 . 1 . 1 21 21 GLU HB2 H 1 1.909 0.020 . 2 . . . . A 21 GLU HB2 . 30956 1 244 . 1 . 1 21 21 GLU HB3 H 1 2.029 0.020 . 2 . . . . A 21 GLU HB3 . 30956 1 245 . 1 . 1 21 21 GLU HG2 H 1 2.224 0.020 . 1 . . . . A 21 GLU HG2 . 30956 1 246 . 1 . 1 21 21 GLU HG3 H 1 2.224 0.020 . 1 . . . . A 21 GLU HG3 . 30956 1 247 . 1 . 1 21 21 GLU C C 13 176.841 0.3 . 1 . . . . A 21 GLU C . 30956 1 248 . 1 . 1 21 21 GLU CA C 13 57.124 0.3 . 1 . . . . A 21 GLU CA . 30956 1 249 . 1 . 1 21 21 GLU CB C 13 29.639 0.3 . 1 . . . . A 21 GLU CB . 30956 1 250 . 1 . 1 21 21 GLU CG C 13 36.369 0.3 . 1 . . . . A 21 GLU CG . 30956 1 251 . 1 . 1 21 21 GLU N N 15 120.829 0.3 . 1 . . . . A 21 GLU N . 30956 1 252 . 1 . 1 22 22 MET H H 1 8.193 0.020 . 1 . . . . A 22 MET H . 30956 1 253 . 1 . 1 22 22 MET HA H 1 4.381 0.020 . 1 . . . . A 22 MET HA . 30956 1 254 . 1 . 1 22 22 MET HB2 H 1 1.979 0.020 . 2 . . . . A 22 MET HB2 . 30956 1 255 . 1 . 1 22 22 MET HB3 H 1 2.073 0.020 . 2 . . . . A 22 MET HB3 . 30956 1 256 . 1 . 1 22 22 MET HG2 H 1 2.478 0.020 . 2 . . . . A 22 MET HG2 . 30956 1 257 . 1 . 1 22 22 MET HG3 H 1 2.568 0.020 . 2 . . . . A 22 MET HG3 . 30956 1 258 . 1 . 1 22 22 MET HE1 H 1 2.044 0.020 . 1 . . . . A 22 MET HE1 . 30956 1 259 . 1 . 1 22 22 MET HE2 H 1 2.044 0.020 . 1 . . . . A 22 MET HE2 . 30956 1 260 . 1 . 1 22 22 MET HE3 H 1 2.044 0.020 . 1 . . . . A 22 MET HE3 . 30956 1 261 . 1 . 1 22 22 MET C C 13 175.987 0.3 . 1 . . . . A 22 MET C . 30956 1 262 . 1 . 1 22 22 MET CA C 13 55.505 0.3 . 1 . . . . A 22 MET CA . 30956 1 263 . 1 . 1 22 22 MET CB C 13 32.492 0.3 . 1 . . . . A 22 MET CB . 30956 1 264 . 1 . 1 22 22 MET CG C 13 32.153 0.3 . 1 . . . . A 22 MET CG . 30956 1 265 . 1 . 1 22 22 MET CE C 13 16.906 0.3 . 1 . . . . A 22 MET CE . 30956 1 266 . 1 . 1 22 22 MET N N 15 119.541 0.3 . 1 . . . . A 22 MET N . 30956 1 267 . 1 . 1 23 23 ALA H H 1 8.117 0.020 . 1 . . . . A 23 ALA H . 30956 1 268 . 1 . 1 23 23 ALA HA H 1 4.226 0.020 . 1 . . . . A 23 ALA HA . 30956 1 269 . 1 . 1 23 23 ALA HB1 H 1 1.331 0.020 . 1 . . . . A 23 ALA HB1 . 30956 1 270 . 1 . 1 23 23 ALA HB2 H 1 1.331 0.020 . 1 . . . . A 23 ALA HB2 . 30956 1 271 . 1 . 1 23 23 ALA HB3 H 1 1.331 0.020 . 1 . . . . A 23 ALA HB3 . 30956 1 272 . 1 . 1 23 23 ALA C C 13 177.157 0.3 . 1 . . . . A 23 ALA C . 30956 1 273 . 1 . 1 23 23 ALA CA C 13 52.552 0.3 . 1 . . . . A 23 ALA CA . 30956 1 274 . 1 . 1 23 23 ALA CB C 13 19.128 0.3 . 1 . . . . A 23 ALA CB . 30956 1 275 . 1 . 1 23 23 ALA N N 15 123.779 0.3 . 1 . . . . A 23 ALA N . 30956 1 276 . 1 . 1 24 24 ALA H H 1 8.099 0.020 . 1 . . . . A 24 ALA H . 30956 1 277 . 1 . 1 24 24 ALA HA H 1 4.283 0.020 . 1 . . . . A 24 ALA HA . 30956 1 278 . 1 . 1 24 24 ALA HB1 H 1 1.328 0.020 . 1 . . . . A 24 ALA HB1 . 30956 1 279 . 1 . 1 24 24 ALA HB2 H 1 1.328 0.020 . 1 . . . . A 24 ALA HB2 . 30956 1 280 . 1 . 1 24 24 ALA HB3 H 1 1.328 0.020 . 1 . . . . A 24 ALA HB3 . 30956 1 281 . 1 . 1 24 24 ALA C C 13 177.496 0.3 . 1 . . . . A 24 ALA C . 30956 1 282 . 1 . 1 24 24 ALA CA C 13 52.159 0.3 . 1 . . . . A 24 ALA CA . 30956 1 283 . 1 . 1 24 24 ALA CB C 13 19.036 0.3 . 1 . . . . A 24 ALA CB . 30956 1 284 . 1 . 1 24 24 ALA N N 15 122.374 0.3 . 1 . . . . A 24 ALA N . 30956 1 285 . 1 . 1 25 25 VAL H H 1 7.956 0.020 . 1 . . . . A 25 VAL H . 30956 1 286 . 1 . 1 25 25 VAL HA H 1 4.022 0.020 . 1 . . . . A 25 VAL HA . 30956 1 287 . 1 . 1 25 25 VAL HB H 1 2.010 0.020 . 1 . . . . A 25 VAL HB . 30956 1 288 . 1 . 1 25 25 VAL HG11 H 1 0.855 0.020 . 2 . . . . A 25 VAL HG11 . 30956 1 289 . 1 . 1 25 25 VAL HG12 H 1 0.855 0.020 . 2 . . . . A 25 VAL HG12 . 30956 1 290 . 1 . 1 25 25 VAL HG13 H 1 0.855 0.020 . 2 . . . . A 25 VAL HG13 . 30956 1 291 . 1 . 1 25 25 VAL HG21 H 1 0.874 0.020 . 2 . . . . A 25 VAL HG21 . 30956 1 292 . 1 . 1 25 25 VAL HG22 H 1 0.874 0.020 . 2 . . . . A 25 VAL HG22 . 30956 1 293 . 1 . 1 25 25 VAL HG23 H 1 0.874 0.020 . 2 . . . . A 25 VAL HG23 . 30956 1 294 . 1 . 1 25 25 VAL C C 13 175.939 0.3 . 1 . . . . A 25 VAL C . 30956 1 295 . 1 . 1 25 25 VAL CA C 13 62.262 0.3 . 1 . . . . A 25 VAL CA . 30956 1 296 . 1 . 1 25 25 VAL CB C 13 32.735 0.3 . 1 . . . . A 25 VAL CB . 30956 1 297 . 1 . 1 25 25 VAL CG1 C 13 21.169 0.3 . 1 . . . . A 25 VAL CG1 . 30956 1 298 . 1 . 1 25 25 VAL CG2 C 13 20.514 0.3 . 1 . . . . A 25 VAL CG2 . 30956 1 299 . 1 . 1 25 25 VAL N N 15 118.771 0.3 . 1 . . . . A 25 VAL N . 30956 1 300 . 1 . 1 26 26 GLU H H 1 8.280 0.020 . 1 . . . . A 26 GLU H . 30956 1 301 . 1 . 1 26 26 GLU HA H 1 4.301 0.020 . 1 . . . . A 26 GLU HA . 30956 1 302 . 1 . 1 26 26 GLU HB2 H 1 1.856 0.020 . 2 . . . . A 26 GLU HB2 . 30956 1 303 . 1 . 1 26 26 GLU HB3 H 1 1.912 0.020 . 2 . . . . A 26 GLU HB3 . 30956 1 304 . 1 . 1 26 26 GLU HG2 H 1 2.158 0.020 . 1 . . . . A 26 GLU HG2 . 30956 1 305 . 1 . 1 26 26 GLU HG3 H 1 2.158 0.020 . 1 . . . . A 26 GLU HG3 . 30956 1 306 . 1 . 1 26 26 GLU C C 13 175.941 0.3 . 1 . . . . A 26 GLU C . 30956 1 307 . 1 . 1 26 26 GLU CA C 13 56.182 0.3 . 1 . . . . A 26 GLU CA . 30956 1 308 . 1 . 1 26 26 GLU CB C 13 30.667 0.3 . 1 . . . . A 26 GLU CB . 30956 1 309 . 1 . 1 26 26 GLU CG C 13 36.205 0.3 . 1 . . . . A 26 GLU CG . 30956 1 310 . 1 . 1 26 26 GLU N N 15 124.358 0.3 . 1 . . . . A 26 GLU N . 30956 1 311 . 1 . 1 27 27 THR H H 1 8.248 0.020 . 1 . . . . A 27 THR H . 30956 1 312 . 1 . 1 27 27 THR HA H 1 4.133 0.020 . 1 . . . . A 27 THR HA . 30956 1 313 . 1 . 1 27 27 THR HB H 1 3.952 0.020 . 1 . . . . A 27 THR HB . 30956 1 314 . 1 . 1 27 27 THR HG21 H 1 1.087 0.020 . 1 . . . . A 27 THR HG21 . 30956 1 315 . 1 . 1 27 27 THR HG22 H 1 1.087 0.020 . 1 . . . . A 27 THR HG22 . 30956 1 316 . 1 . 1 27 27 THR HG23 H 1 1.087 0.020 . 1 . . . . A 27 THR HG23 . 30956 1 317 . 1 . 1 27 27 THR C C 13 173.831 0.3 . 1 . . . . A 27 THR C . 30956 1 318 . 1 . 1 27 27 THR CA C 13 62.282 0.3 . 1 . . . . A 27 THR CA . 30956 1 319 . 1 . 1 27 27 THR CB C 13 69.686 0.3 . 1 . . . . A 27 THR CB . 30956 1 320 . 1 . 1 27 27 THR CG2 C 13 21.552 0.3 . 1 . . . . A 27 THR CG2 . 30956 1 321 . 1 . 1 27 27 THR N N 15 117.677 0.3 . 1 . . . . A 27 THR N . 30956 1 322 . 1 . 1 28 28 ARG H H 1 8.670 0.020 . 1 . . . . A 28 ARG H . 30956 1 323 . 1 . 1 28 28 ARG HA H 1 4.406 0.020 . 1 . . . . A 28 ARG HA . 30956 1 324 . 1 . 1 28 28 ARG HB2 H 1 1.396 0.020 . 2 . . . . A 28 ARG HB2 . 30956 1 325 . 1 . 1 28 28 ARG HB3 H 1 1.578 0.020 . 2 . . . . A 28 ARG HB3 . 30956 1 326 . 1 . 1 28 28 ARG HG2 H 1 1.102 0.020 . 2 . . . . A 28 ARG HG2 . 30956 1 327 . 1 . 1 28 28 ARG HG3 H 1 1.258 0.020 . 2 . . . . A 28 ARG HG3 . 30956 1 328 . 1 . 1 28 28 ARG HD2 H 1 2.357 0.020 . 2 . . . . A 28 ARG HD2 . 30956 1 329 . 1 . 1 28 28 ARG HD3 H 1 2.458 0.020 . 2 . . . . A 28 ARG HD3 . 30956 1 330 . 1 . 1 28 28 ARG C C 13 175.048 0.3 . 1 . . . . A 28 ARG C . 30956 1 331 . 1 . 1 28 28 ARG CA C 13 54.682 0.3 . 1 . . . . A 28 ARG CA . 30956 1 332 . 1 . 1 28 28 ARG CB C 13 31.172 0.3 . 1 . . . . A 28 ARG CB . 30956 1 333 . 1 . 1 28 28 ARG CG C 13 26.841 0.3 . 1 . . . . A 28 ARG CG . 30956 1 334 . 1 . 1 28 28 ARG CD C 13 42.779 0.3 . 1 . . . . A 28 ARG CD . 30956 1 335 . 1 . 1 28 28 ARG N N 15 125.879 0.3 . 1 . . . . A 28 ARG N . 30956 1 336 . 1 . 1 29 29 VAL H H 1 8.341 0.020 . 1 . . . . A 29 VAL H . 30956 1 337 . 1 . 1 29 29 VAL HA H 1 4.069 0.020 . 1 . . . . A 29 VAL HA . 30956 1 338 . 1 . 1 29 29 VAL HB H 1 1.767 0.020 . 1 . . . . A 29 VAL HB . 30956 1 339 . 1 . 1 29 29 VAL HG11 H 1 0.922 0.020 . 2 . . . . A 29 VAL HG11 . 30956 1 340 . 1 . 1 29 29 VAL HG12 H 1 0.922 0.020 . 2 . . . . A 29 VAL HG12 . 30956 1 341 . 1 . 1 29 29 VAL HG13 H 1 0.922 0.020 . 2 . . . . A 29 VAL HG13 . 30956 1 342 . 1 . 1 29 29 VAL HG21 H 1 0.822 0.020 . 2 . . . . A 29 VAL HG21 . 30956 1 343 . 1 . 1 29 29 VAL HG22 H 1 0.822 0.020 . 2 . . . . A 29 VAL HG22 . 30956 1 344 . 1 . 1 29 29 VAL HG23 H 1 0.822 0.020 . 2 . . . . A 29 VAL HG23 . 30956 1 345 . 1 . 1 29 29 VAL C C 13 174.311 0.3 . 1 . . . . A 29 VAL C . 30956 1 346 . 1 . 1 29 29 VAL CA C 13 61.434 0.3 . 1 . . . . A 29 VAL CA . 30956 1 347 . 1 . 1 29 29 VAL CB C 13 33.350 0.3 . 1 . . . . A 29 VAL CB . 30956 1 348 . 1 . 1 29 29 VAL CG1 C 13 21.230 0.3 . 1 . . . . A 29 VAL CG1 . 30956 1 349 . 1 . 1 29 29 VAL CG2 C 13 21.363 0.3 . 1 . . . . A 29 VAL CG2 . 30956 1 350 . 1 . 1 29 29 VAL N N 15 123.607 0.3 . 1 . . . . A 29 VAL N . 30956 1 351 . 1 . 1 30 30 CYS H H 1 8.266 0.020 . 1 . . . . A 30 CYS H . 30956 1 352 . 1 . 1 30 30 CYS HA H 1 3.579 0.020 . 1 . . . . A 30 CYS HA . 30956 1 353 . 1 . 1 30 30 CYS HB2 H 1 2.638 0.020 . 2 . . . . A 30 CYS HB2 . 30956 1 354 . 1 . 1 30 30 CYS HB3 H 1 2.952 0.020 . 2 . . . . A 30 CYS HB3 . 30956 1 355 . 1 . 1 30 30 CYS C C 13 175.295 0.3 . 1 . . . . A 30 CYS C . 30956 1 356 . 1 . 1 30 30 CYS CA C 13 61.341 0.3 . 1 . . . . A 30 CYS CA . 30956 1 357 . 1 . 1 30 30 CYS CB C 13 31.509 0.3 . 1 . . . . A 30 CYS CB . 30956 1 358 . 1 . 1 30 30 CYS N N 15 128.072 0.3 . 1 . . . . A 30 CYS N . 30956 1 359 . 1 . 1 31 31 GLU H H 1 8.242 0.020 . 1 . . . . A 31 GLU H . 30956 1 360 . 1 . 1 31 31 GLU HA H 1 4.048 0.020 . 1 . . . . A 31 GLU HA . 30956 1 361 . 1 . 1 31 31 GLU HB2 H 1 1.871 0.020 . 2 . . . . A 31 GLU HB2 . 30956 1 362 . 1 . 1 31 31 GLU HB3 H 1 1.273 0.020 . 2 . . . . A 31 GLU HB3 . 30956 1 363 . 1 . 1 31 31 GLU HG2 H 1 2.266 0.020 . 2 . . . . A 31 GLU HG2 . 30956 1 364 . 1 . 1 31 31 GLU HG3 H 1 2.485 0.020 . 2 . . . . A 31 GLU HG3 . 30956 1 365 . 1 . 1 31 31 GLU C C 13 178.085 0.3 . 1 . . . . A 31 GLU C . 30956 1 366 . 1 . 1 31 31 GLU CA C 13 57.268 0.3 . 1 . . . . A 31 GLU CA . 30956 1 367 . 1 . 1 31 31 GLU CB C 13 29.562 0.3 . 1 . . . . A 31 GLU CB . 30956 1 368 . 1 . 1 31 31 GLU CG C 13 37.819 0.3 . 1 . . . . A 31 GLU CG . 30956 1 369 . 1 . 1 31 31 GLU N N 15 126.752 0.3 . 1 . . . . A 31 GLU N . 30956 1 370 . 1 . 1 32 32 THR H H 1 9.197 0.020 . 1 . . . . A 32 THR H . 30956 1 371 . 1 . 1 32 32 THR HA H 1 4.212 0.020 . 1 . . . . A 32 THR HA . 30956 1 372 . 1 . 1 32 32 THR HB H 1 4.508 0.020 . 1 . . . . A 32 THR HB . 30956 1 373 . 1 . 1 32 32 THR HG21 H 1 1.197 0.020 . 1 . . . . A 32 THR HG21 . 30956 1 374 . 1 . 1 32 32 THR HG22 H 1 1.197 0.020 . 1 . . . . A 32 THR HG22 . 30956 1 375 . 1 . 1 32 32 THR HG23 H 1 1.197 0.020 . 1 . . . . A 32 THR HG23 . 30956 1 376 . 1 . 1 32 32 THR C C 13 175.942 0.3 . 1 . . . . A 32 THR C . 30956 1 377 . 1 . 1 32 32 THR CA C 13 64.057 0.3 . 1 . . . . A 32 THR CA . 30956 1 378 . 1 . 1 32 32 THR CB C 13 67.974 0.3 . 1 . . . . A 32 THR CB . 30956 1 379 . 1 . 1 32 32 THR CG2 C 13 22.991 0.3 . 1 . . . . A 32 THR CG2 . 30956 1 380 . 1 . 1 32 32 THR N N 15 124.893 0.3 . 1 . . . . A 32 THR N . 30956 1 381 . 1 . 1 33 33 ASP H H 1 9.143 0.020 . 1 . . . . A 33 ASP H . 30956 1 382 . 1 . 1 33 33 ASP HA H 1 4.415 0.020 . 1 . . . . A 33 ASP HA . 30956 1 383 . 1 . 1 33 33 ASP HB2 H 1 2.685 0.020 . 1 . . . . A 33 ASP HB2 . 30956 1 384 . 1 . 1 33 33 ASP HB3 H 1 2.685 0.020 . 1 . . . . A 33 ASP HB3 . 30956 1 385 . 1 . 1 33 33 ASP C C 13 176.507 0.3 . 1 . . . . A 33 ASP C . 30956 1 386 . 1 . 1 33 33 ASP CA C 13 56.090 0.3 . 1 . . . . A 33 ASP CA . 30956 1 387 . 1 . 1 33 33 ASP CB C 13 40.537 0.3 . 1 . . . . A 33 ASP CB . 30956 1 388 . 1 . 1 33 33 ASP N N 15 132.015 0.3 . 1 . . . . A 33 ASP N . 30956 1 389 . 1 . 1 34 34 GLY H H 1 8.888 0.020 . 1 . . . . A 34 GLY H . 30956 1 390 . 1 . 1 34 34 GLY HA2 H 1 3.591 0.020 . 2 . . . . A 34 GLY HA2 . 30956 1 391 . 1 . 1 34 34 GLY HA3 H 1 4.235 0.020 . 2 . . . . A 34 GLY HA3 . 30956 1 392 . 1 . 1 34 34 GLY C C 13 172.984 0.3 . 1 . . . . A 34 GLY C . 30956 1 393 . 1 . 1 34 34 GLY CA C 13 45.115 0.3 . 1 . . . . A 34 GLY CA . 30956 1 394 . 1 . 1 34 34 GLY N N 15 115.588 0.3 . 1 . . . . A 34 GLY N . 30956 1 395 . 1 . 1 35 35 CYS H H 1 7.741 0.020 . 1 . . . . A 35 CYS H . 30956 1 396 . 1 . 1 35 35 CYS HA H 1 4.524 0.020 . 1 . . . . A 35 CYS HA . 30956 1 397 . 1 . 1 35 35 CYS HB2 H 1 2.852 0.020 . 2 . . . . A 35 CYS HB2 . 30956 1 398 . 1 . 1 35 35 CYS HB3 H 1 2.435 0.020 . 2 . . . . A 35 CYS HB3 . 30956 1 399 . 1 . 1 35 35 CYS C C 13 175.283 0.3 . 1 . . . . A 35 CYS C . 30956 1 400 . 1 . 1 35 35 CYS CA C 13 59.040 0.3 . 1 . . . . A 35 CYS CA . 30956 1 401 . 1 . 1 35 35 CYS CB C 13 31.285 0.3 . 1 . . . . A 35 CYS CB . 30956 1 402 . 1 . 1 35 35 CYS N N 15 124.245 0.3 . 1 . . . . A 35 CYS N . 30956 1 403 . 1 . 1 36 36 SER H H 1 8.756 0.020 . 1 . . . . A 36 SER H . 30956 1 404 . 1 . 1 36 36 SER HA H 1 4.747 0.020 . 1 . . . . A 36 SER HA . 30956 1 405 . 1 . 1 36 36 SER HB2 H 1 3.891 0.020 . 1 . . . . A 36 SER HB2 . 30956 1 406 . 1 . 1 36 36 SER HB3 H 1 3.891 0.020 . 1 . . . . A 36 SER HB3 . 30956 1 407 . 1 . 1 36 36 SER C C 13 174.330 0.3 . 1 . . . . A 36 SER C . 30956 1 408 . 1 . 1 36 36 SER CA C 13 56.899 0.3 . 1 . . . . A 36 SER CA . 30956 1 409 . 1 . 1 36 36 SER CB C 13 63.704 0.3 . 1 . . . . A 36 SER CB . 30956 1 410 . 1 . 1 36 36 SER N N 15 122.255 0.3 . 1 . . . . A 36 SER N . 30956 1 411 . 1 . 1 37 37 SER H H 1 8.872 0.020 . 1 . . . . A 37 SER H . 30956 1 412 . 1 . 1 37 37 SER HA H 1 4.354 0.020 . 1 . . . . A 37 SER HA . 30956 1 413 . 1 . 1 37 37 SER HB2 H 1 3.913 0.020 . 1 . . . . A 37 SER HB2 . 30956 1 414 . 1 . 1 37 37 SER HB3 H 1 3.913 0.020 . 1 . . . . A 37 SER HB3 . 30956 1 415 . 1 . 1 37 37 SER C C 13 172.531 0.3 . 1 . . . . A 37 SER C . 30956 1 416 . 1 . 1 37 37 SER CA C 13 59.652 0.3 . 1 . . . . A 37 SER CA . 30956 1 417 . 1 . 1 37 37 SER CB C 13 63.933 0.3 . 1 . . . . A 37 SER CB . 30956 1 418 . 1 . 1 37 37 SER N N 15 121.824 0.3 . 1 . . . . A 37 SER N . 30956 1 419 . 1 . 1 38 38 GLU H H 1 8.537 0.020 . 1 . . . . A 38 GLU H . 30956 1 420 . 1 . 1 38 38 GLU HA H 1 4.176 0.020 . 1 . . . . A 38 GLU HA . 30956 1 421 . 1 . 1 38 38 GLU HB2 H 1 1.811 0.020 . 2 . . . . A 38 GLU HB2 . 30956 1 422 . 1 . 1 38 38 GLU HB3 H 1 1.925 0.020 . 2 . . . . A 38 GLU HB3 . 30956 1 423 . 1 . 1 38 38 GLU HG2 H 1 2.055 0.020 . 2 . . . . A 38 GLU HG2 . 30956 1 424 . 1 . 1 38 38 GLU HG3 H 1 2.326 0.020 . 2 . . . . A 38 GLU HG3 . 30956 1 425 . 1 . 1 38 38 GLU C C 13 175.969 0.3 . 1 . . . . A 38 GLU C . 30956 1 426 . 1 . 1 38 38 GLU CA C 13 56.969 0.3 . 1 . . . . A 38 GLU CA . 30956 1 427 . 1 . 1 38 38 GLU CB C 13 29.880 0.3 . 1 . . . . A 38 GLU CB . 30956 1 428 . 1 . 1 38 38 GLU CG C 13 36.279 0.3 . 1 . . . . A 38 GLU CG . 30956 1 429 . 1 . 1 38 38 GLU N N 15 123.145 0.3 . 1 . . . . A 38 GLU N . 30956 1 430 . 1 . 1 39 39 ALA H H 1 8.433 0.020 . 1 . . . . A 39 ALA H . 30956 1 431 . 1 . 1 39 39 ALA HA H 1 4.003 0.020 . 1 . . . . A 39 ALA HA . 30956 1 432 . 1 . 1 39 39 ALA HB1 H 1 0.853 0.020 . 1 . . . . A 39 ALA HB1 . 30956 1 433 . 1 . 1 39 39 ALA HB2 H 1 0.853 0.020 . 1 . . . . A 39 ALA HB2 . 30956 1 434 . 1 . 1 39 39 ALA HB3 H 1 0.853 0.020 . 1 . . . . A 39 ALA HB3 . 30956 1 435 . 1 . 1 39 39 ALA C C 13 176.103 0.3 . 1 . . . . A 39 ALA C . 30956 1 436 . 1 . 1 39 39 ALA CA C 13 51.501 0.3 . 1 . . . . A 39 ALA CA . 30956 1 437 . 1 . 1 39 39 ALA CB C 13 20.833 0.3 . 1 . . . . A 39 ALA CB . 30956 1 438 . 1 . 1 39 39 ALA N N 15 126.947 0.3 . 1 . . . . A 39 ALA N . 30956 1 439 . 1 . 1 40 40 LYS H H 1 8.069 0.020 . 1 . . . . A 40 LYS H . 30956 1 440 . 1 . 1 40 40 LYS HA H 1 4.481 0.020 . 1 . . . . A 40 LYS HA . 30956 1 441 . 1 . 1 40 40 LYS HB2 H 1 1.582 0.020 . 2 . . . . A 40 LYS HB2 . 30956 1 442 . 1 . 1 40 40 LYS HB3 H 1 2.069 0.020 . 2 . . . . A 40 LYS HB3 . 30956 1 443 . 1 . 1 40 40 LYS HG2 H 1 1.316 0.020 . 1 . . . . A 40 LYS HG2 . 30956 1 444 . 1 . 1 40 40 LYS HG3 H 1 1.316 0.020 . 1 . . . . A 40 LYS HG3 . 30956 1 445 . 1 . 1 40 40 LYS HD2 H 1 1.635 0.020 . 1 . . . . A 40 LYS HD2 . 30956 1 446 . 1 . 1 40 40 LYS HD3 H 1 1.635 0.020 . 1 . . . . A 40 LYS HD3 . 30956 1 447 . 1 . 1 40 40 LYS HE2 H 1 2.897 0.020 . 1 . . . . A 40 LYS HE2 . 30956 1 448 . 1 . 1 40 40 LYS HE3 H 1 2.897 0.020 . 1 . . . . A 40 LYS HE3 . 30956 1 449 . 1 . 1 40 40 LYS C C 13 174.983 0.3 . 1 . . . . A 40 LYS C . 30956 1 450 . 1 . 1 40 40 LYS CA C 13 55.440 0.3 . 1 . . . . A 40 LYS CA . 30956 1 451 . 1 . 1 40 40 LYS CB C 13 34.938 0.3 . 1 . . . . A 40 LYS CB . 30956 1 452 . 1 . 1 40 40 LYS CG C 13 24.985 0.3 . 1 . . . . A 40 LYS CG . 30956 1 453 . 1 . 1 40 40 LYS CD C 13 28.929 0.3 . 1 . . . . A 40 LYS CD . 30956 1 454 . 1 . 1 40 40 LYS CE C 13 41.954 0.3 . 1 . . . . A 40 LYS CE . 30956 1 455 . 1 . 1 40 40 LYS N N 15 119.334 0.3 . 1 . . . . A 40 LYS N . 30956 1 456 . 1 . 1 41 41 LEU H H 1 7.973 0.020 . 1 . . . . A 41 LEU H . 30956 1 457 . 1 . 1 41 41 LEU HA H 1 5.067 0.020 . 1 . . . . A 41 LEU HA . 30956 1 458 . 1 . 1 41 41 LEU HB2 H 1 1.420 0.020 . 2 . . . . A 41 LEU HB2 . 30956 1 459 . 1 . 1 41 41 LEU HB3 H 1 1.576 0.020 . 2 . . . . A 41 LEU HB3 . 30956 1 460 . 1 . 1 41 41 LEU HG H 1 1.402 0.020 . 1 . . . . A 41 LEU HG . 30956 1 461 . 1 . 1 41 41 LEU HD11 H 1 0.738 0.020 . 2 . . . . A 41 LEU HD11 . 30956 1 462 . 1 . 1 41 41 LEU HD12 H 1 0.738 0.020 . 2 . . . . A 41 LEU HD12 . 30956 1 463 . 1 . 1 41 41 LEU HD13 H 1 0.738 0.020 . 2 . . . . A 41 LEU HD13 . 30956 1 464 . 1 . 1 41 41 LEU HD21 H 1 0.654 0.020 . 2 . . . . A 41 LEU HD21 . 30956 1 465 . 1 . 1 41 41 LEU HD22 H 1 0.654 0.020 . 2 . . . . A 41 LEU HD22 . 30956 1 466 . 1 . 1 41 41 LEU HD23 H 1 0.654 0.020 . 2 . . . . A 41 LEU HD23 . 30956 1 467 . 1 . 1 41 41 LEU C C 13 175.124 0.3 . 1 . . . . A 41 LEU C . 30956 1 468 . 1 . 1 41 41 LEU CA C 13 53.763 0.3 . 1 . . . . A 41 LEU CA . 30956 1 469 . 1 . 1 41 41 LEU CB C 13 48.135 0.3 . 1 . . . . A 41 LEU CB . 30956 1 470 . 1 . 1 41 41 LEU CG C 13 27.127 0.3 . 1 . . . . A 41 LEU CG . 30956 1 471 . 1 . 1 41 41 LEU CD1 C 13 26.625 0.3 . 1 . . . . A 41 LEU CD1 . 30956 1 472 . 1 . 1 41 41 LEU CD2 C 13 22.996 0.3 . 1 . . . . A 41 LEU CD2 . 30956 1 473 . 1 . 1 41 41 LEU N N 15 120.966 0.3 . 1 . . . . A 41 LEU N . 30956 1 474 . 1 . 1 42 42 GLN H H 1 9.738 0.020 . 1 . . . . A 42 GLN H . 30956 1 475 . 1 . 1 42 42 GLN HA H 1 5.446 0.020 . 1 . . . . A 42 GLN HA . 30956 1 476 . 1 . 1 42 42 GLN HB2 H 1 1.848 0.020 . 2 . . . . A 42 GLN HB2 . 30956 1 477 . 1 . 1 42 42 GLN HB3 H 1 2.141 0.020 . 2 . . . . A 42 GLN HB3 . 30956 1 478 . 1 . 1 42 42 GLN HG2 H 1 1.737 0.020 . 2 . . . . A 42 GLN HG2 . 30956 1 479 . 1 . 1 42 42 GLN HG3 H 1 1.919 0.020 . 2 . . . . A 42 GLN HG3 . 30956 1 480 . 1 . 1 42 42 GLN HE21 H 1 7.289 0.020 . 1 . . . . A 42 GLN HE21 . 30956 1 481 . 1 . 1 42 42 GLN HE22 H 1 6.956 0.020 . 1 . . . . A 42 GLN HE22 . 30956 1 482 . 1 . 1 42 42 GLN C C 13 173.614 0.3 . 1 . . . . A 42 GLN C . 30956 1 483 . 1 . 1 42 42 GLN CA C 13 53.643 0.3 . 1 . . . . A 42 GLN CA . 30956 1 484 . 1 . 1 42 42 GLN CB C 13 33.355 0.3 . 1 . . . . A 42 GLN CB . 30956 1 485 . 1 . 1 42 42 GLN CG C 13 33.800 0.3 . 1 . . . . A 42 GLN CG . 30956 1 486 . 1 . 1 42 42 GLN N N 15 118.841 0.3 . 1 . . . . A 42 GLN N . 30956 1 487 . 1 . 1 42 42 GLN NE2 N 15 111.644 0.3 . 1 . . . . A 42 GLN NE2 . 30956 1 488 . 1 . 1 43 43 CYS H H 1 7.747 0.020 . 1 . . . . A 43 CYS H . 30956 1 489 . 1 . 1 43 43 CYS HA H 1 4.338 0.020 . 1 . . . . A 43 CYS HA . 30956 1 490 . 1 . 1 43 43 CYS HB2 H 1 2.823 0.020 . 2 . . . . A 43 CYS HB2 . 30956 1 491 . 1 . 1 43 43 CYS HB3 H 1 3.201 0.020 . 2 . . . . A 43 CYS HB3 . 30956 1 492 . 1 . 1 43 43 CYS C C 13 174.969 0.3 . 1 . . . . A 43 CYS C . 30956 1 493 . 1 . 1 43 43 CYS CA C 13 56.244 0.3 . 1 . . . . A 43 CYS CA . 30956 1 494 . 1 . 1 43 43 CYS CB C 13 30.249 0.3 . 1 . . . . A 43 CYS CB . 30956 1 495 . 1 . 1 43 43 CYS N N 15 124.671 0.3 . 1 . . . . A 43 CYS N . 30956 1 496 . 1 . 1 44 44 PRO HA H 1 4.417 0.020 . 1 . . . . A 44 PRO HA . 30956 1 497 . 1 . 1 44 44 PRO HB2 H 1 2.112 0.020 . 2 . . . . A 44 PRO HB2 . 30956 1 498 . 1 . 1 44 44 PRO HB3 H 1 2.270 0.020 . 2 . . . . A 44 PRO HB3 . 30956 1 499 . 1 . 1 44 44 PRO HG2 H 1 2.079 0.020 . 2 . . . . A 44 PRO HG2 . 30956 1 500 . 1 . 1 44 44 PRO HG3 H 1 2.513 0.020 . 2 . . . . A 44 PRO HG3 . 30956 1 501 . 1 . 1 44 44 PRO HD2 H 1 4.053 0.020 . 2 . . . . A 44 PRO HD2 . 30956 1 502 . 1 . 1 44 44 PRO HD3 H 1 4.084 0.020 . 2 . . . . A 44 PRO HD3 . 30956 1 503 . 1 . 1 44 44 PRO C C 13 178.786 0.3 . 1 . . . . A 44 PRO C . 30956 1 504 . 1 . 1 44 44 PRO CA C 13 64.186 0.3 . 1 . . . . A 44 PRO CA . 30956 1 505 . 1 . 1 44 44 PRO CB C 13 31.739 0.3 . 1 . . . . A 44 PRO CB . 30956 1 506 . 1 . 1 44 44 PRO CG C 13 27.016 0.3 . 1 . . . . A 44 PRO CG . 30956 1 507 . 1 . 1 44 44 PRO CD C 13 51.533 0.3 . 1 . . . . A 44 PRO CD . 30956 1 508 . 1 . 1 45 45 THR H H 1 8.193 0.020 . 1 . . . . A 45 THR H . 30956 1 509 . 1 . 1 45 45 THR HA H 1 3.867 0.020 . 1 . . . . A 45 THR HA . 30956 1 510 . 1 . 1 45 45 THR HB H 1 3.636 0.020 . 1 . . . . A 45 THR HB . 30956 1 511 . 1 . 1 45 45 THR HG21 H 1 0.710 0.020 . 1 . . . . A 45 THR HG21 . 30956 1 512 . 1 . 1 45 45 THR HG22 H 1 0.710 0.020 . 1 . . . . A 45 THR HG22 . 30956 1 513 . 1 . 1 45 45 THR HG23 H 1 0.710 0.020 . 1 . . . . A 45 THR HG23 . 30956 1 514 . 1 . 1 45 45 THR C C 13 175.884 0.3 . 1 . . . . A 45 THR C . 30956 1 515 . 1 . 1 45 45 THR CA C 13 66.053 0.3 . 1 . . . . A 45 THR CA . 30956 1 516 . 1 . 1 45 45 THR CB C 13 68.476 0.3 . 1 . . . . A 45 THR CB . 30956 1 517 . 1 . 1 45 45 THR CG2 C 13 21.593 0.3 . 1 . . . . A 45 THR CG2 . 30956 1 518 . 1 . 1 45 45 THR N N 15 124.126 0.3 . 1 . . . . A 45 THR N . 30956 1 519 . 1 . 1 46 46 CYS H H 1 8.713 0.020 . 1 . . . . A 46 CYS H . 30956 1 520 . 1 . 1 46 46 CYS HA H 1 3.890 0.020 . 1 . . . . A 46 CYS HA . 30956 1 521 . 1 . 1 46 46 CYS HB2 H 1 2.997 0.020 . 2 . . . . A 46 CYS HB2 . 30956 1 522 . 1 . 1 46 46 CYS HB3 H 1 3.122 0.020 . 2 . . . . A 46 CYS HB3 . 30956 1 523 . 1 . 1 46 46 CYS C C 13 177.514 0.3 . 1 . . . . A 46 CYS C . 30956 1 524 . 1 . 1 46 46 CYS CA C 13 67.424 0.3 . 1 . . . . A 46 CYS CA . 30956 1 525 . 1 . 1 46 46 CYS CB C 13 28.125 0.3 . 1 . . . . A 46 CYS CB . 30956 1 526 . 1 . 1 46 46 CYS N N 15 126.208 0.3 . 1 . . . . A 46 CYS N . 30956 1 527 . 1 . 1 47 47 ILE H H 1 7.083 0.020 . 1 . . . . A 47 ILE H . 30956 1 528 . 1 . 1 47 47 ILE HA H 1 3.728 0.020 . 1 . . . . A 47 ILE HA . 30956 1 529 . 1 . 1 47 47 ILE HB H 1 1.819 0.020 . 1 . . . . A 47 ILE HB . 30956 1 530 . 1 . 1 47 47 ILE HG12 H 1 0.955 0.020 . 2 . . . . A 47 ILE HG12 . 30956 1 531 . 1 . 1 47 47 ILE HG13 H 1 1.723 0.020 . 2 . . . . A 47 ILE HG13 . 30956 1 532 . 1 . 1 47 47 ILE HG21 H 1 0.850 0.020 . 1 . . . . A 47 ILE HG21 . 30956 1 533 . 1 . 1 47 47 ILE HG22 H 1 0.850 0.020 . 1 . . . . A 47 ILE HG22 . 30956 1 534 . 1 . 1 47 47 ILE HG23 H 1 0.850 0.020 . 1 . . . . A 47 ILE HG23 . 30956 1 535 . 1 . 1 47 47 ILE HD11 H 1 0.730 0.020 . 1 . . . . A 47 ILE HD11 . 30956 1 536 . 1 . 1 47 47 ILE HD12 H 1 0.730 0.020 . 1 . . . . A 47 ILE HD12 . 30956 1 537 . 1 . 1 47 47 ILE HD13 H 1 0.730 0.020 . 1 . . . . A 47 ILE HD13 . 30956 1 538 . 1 . 1 47 47 ILE C C 13 179.957 0.3 . 1 . . . . A 47 ILE C . 30956 1 539 . 1 . 1 47 47 ILE CA C 13 65.034 0.3 . 1 . . . . A 47 ILE CA . 30956 1 540 . 1 . 1 47 47 ILE CB C 13 38.188 0.3 . 1 . . . . A 47 ILE CB . 30956 1 541 . 1 . 1 47 47 ILE CG1 C 13 27.931 0.3 . 1 . . . . A 47 ILE CG1 . 30956 1 542 . 1 . 1 47 47 ILE CG2 C 13 16.887 0.3 . 1 . . . . A 47 ILE CG2 . 30956 1 543 . 1 . 1 47 47 ILE CD1 C 13 13.839 0.3 . 1 . . . . A 47 ILE CD1 . 30956 1 544 . 1 . 1 47 47 ILE N N 15 116.526 0.3 . 1 . . . . A 47 ILE N . 30956 1 545 . 1 . 1 48 48 LYS H H 1 7.305 0.020 . 1 . . . . A 48 LYS H . 30956 1 546 . 1 . 1 48 48 LYS HA H 1 3.999 0.020 . 1 . . . . A 48 LYS HA . 30956 1 547 . 1 . 1 48 48 LYS HB2 H 1 1.966 0.020 . 1 . . . . A 48 LYS HB2 . 30956 1 548 . 1 . 1 48 48 LYS HB3 H 1 1.966 0.020 . 1 . . . . A 48 LYS HB3 . 30956 1 549 . 1 . 1 48 48 LYS HG2 H 1 1.453 0.020 . 2 . . . . A 48 LYS HG2 . 30956 1 550 . 1 . 1 48 48 LYS HG3 H 1 1.568 0.020 . 2 . . . . A 48 LYS HG3 . 30956 1 551 . 1 . 1 48 48 LYS HD2 H 1 1.673 0.020 . 1 . . . . A 48 LYS HD2 . 30956 1 552 . 1 . 1 48 48 LYS HD3 H 1 1.673 0.020 . 1 . . . . A 48 LYS HD3 . 30956 1 553 . 1 . 1 48 48 LYS HE2 H 1 2.945 0.020 . 1 . . . . A 48 LYS HE2 . 30956 1 554 . 1 . 1 48 48 LYS HE3 H 1 2.945 0.020 . 1 . . . . A 48 LYS HE3 . 30956 1 555 . 1 . 1 48 48 LYS C C 13 178.376 0.3 . 1 . . . . A 48 LYS C . 30956 1 556 . 1 . 1 48 48 LYS CA C 13 59.116 0.3 . 1 . . . . A 48 LYS CA . 30956 1 557 . 1 . 1 48 48 LYS CB C 13 32.274 0.3 . 1 . . . . A 48 LYS CB . 30956 1 558 . 1 . 1 48 48 LYS CG C 13 25.043 0.3 . 1 . . . . A 48 LYS CG . 30956 1 559 . 1 . 1 48 48 LYS CD C 13 29.198 0.3 . 1 . . . . A 48 LYS CD . 30956 1 560 . 1 . 1 48 48 LYS CE C 13 41.926 0.3 . 1 . . . . A 48 LYS CE . 30956 1 561 . 1 . 1 48 48 LYS N N 15 120.696 0.3 . 1 . . . . A 48 LYS N . 30956 1 562 . 1 . 1 49 49 LEU H H 1 7.862 0.020 . 1 . . . . A 49 LEU H . 30956 1 563 . 1 . 1 49 49 LEU HA H 1 4.247 0.020 . 1 . . . . A 49 LEU HA . 30956 1 564 . 1 . 1 49 49 LEU HB2 H 1 1.690 0.020 . 2 . . . . A 49 LEU HB2 . 30956 1 565 . 1 . 1 49 49 LEU HB3 H 1 1.557 0.020 . 2 . . . . A 49 LEU HB3 . 30956 1 566 . 1 . 1 49 49 LEU HG H 1 1.728 0.020 . 1 . . . . A 49 LEU HG . 30956 1 567 . 1 . 1 49 49 LEU HD11 H 1 0.718 0.020 . 2 . . . . A 49 LEU HD11 . 30956 1 568 . 1 . 1 49 49 LEU HD12 H 1 0.718 0.020 . 2 . . . . A 49 LEU HD12 . 30956 1 569 . 1 . 1 49 49 LEU HD13 H 1 0.718 0.020 . 2 . . . . A 49 LEU HD13 . 30956 1 570 . 1 . 1 49 49 LEU HD21 H 1 0.794 0.020 . 2 . . . . A 49 LEU HD21 . 30956 1 571 . 1 . 1 49 49 LEU HD22 H 1 0.794 0.020 . 2 . . . . A 49 LEU HD22 . 30956 1 572 . 1 . 1 49 49 LEU HD23 H 1 0.794 0.020 . 2 . . . . A 49 LEU HD23 . 30956 1 573 . 1 . 1 49 49 LEU C C 13 177.055 0.3 . 1 . . . . A 49 LEU C . 30956 1 574 . 1 . 1 49 49 LEU CA C 13 54.870 0.3 . 1 . . . . A 49 LEU CA . 30956 1 575 . 1 . 1 49 49 LEU CB C 13 43.123 0.3 . 1 . . . . A 49 LEU CB . 30956 1 576 . 1 . 1 49 49 LEU CG C 13 26.358 0.3 . 1 . . . . A 49 LEU CG . 30956 1 577 . 1 . 1 49 49 LEU CD1 C 13 26.327 0.3 . 1 . . . . A 49 LEU CD1 . 30956 1 578 . 1 . 1 49 49 LEU CD2 C 13 22.006 0.3 . 1 . . . . A 49 LEU CD2 . 30956 1 579 . 1 . 1 49 49 LEU N N 15 116.694 0.3 . 1 . . . . A 49 LEU N . 30956 1 580 . 1 . 1 50 50 GLY H H 1 7.849 0.020 . 1 . . . . A 50 GLY H . 30956 1 581 . 1 . 1 50 50 GLY HA2 H 1 3.772 0.020 . 2 . . . . A 50 GLY HA2 . 30956 1 582 . 1 . 1 50 50 GLY HA3 H 1 4.042 0.020 . 2 . . . . A 50 GLY HA3 . 30956 1 583 . 1 . 1 50 50 GLY C C 13 174.539 0.3 . 1 . . . . A 50 GLY C . 30956 1 584 . 1 . 1 50 50 GLY CA C 13 45.971 0.3 . 1 . . . . A 50 GLY CA . 30956 1 585 . 1 . 1 50 50 GLY N N 15 109.008 0.3 . 1 . . . . A 50 GLY N . 30956 1 586 . 1 . 1 51 51 ILE H H 1 8.164 0.020 . 1 . . . . A 51 ILE H . 30956 1 587 . 1 . 1 51 51 ILE HA H 1 4.006 0.020 . 1 . . . . A 51 ILE HA . 30956 1 588 . 1 . 1 51 51 ILE HB H 1 1.819 0.020 . 1 . . . . A 51 ILE HB . 30956 1 589 . 1 . 1 51 51 ILE HG12 H 1 1.500 0.020 . 1 . . . . A 51 ILE HG12 . 30956 1 590 . 1 . 1 51 51 ILE HG13 H 1 1.500 0.020 . 1 . . . . A 51 ILE HG13 . 30956 1 591 . 1 . 1 51 51 ILE HG21 H 1 0.931 0.020 . 1 . . . . A 51 ILE HG21 . 30956 1 592 . 1 . 1 51 51 ILE HG22 H 1 0.931 0.020 . 1 . . . . A 51 ILE HG22 . 30956 1 593 . 1 . 1 51 51 ILE HG23 H 1 0.931 0.020 . 1 . . . . A 51 ILE HG23 . 30956 1 594 . 1 . 1 51 51 ILE HD11 H 1 1.000 0.020 . 1 . . . . A 51 ILE HD11 . 30956 1 595 . 1 . 1 51 51 ILE HD12 H 1 1.000 0.020 . 1 . . . . A 51 ILE HD12 . 30956 1 596 . 1 . 1 51 51 ILE HD13 H 1 1.000 0.020 . 1 . . . . A 51 ILE HD13 . 30956 1 597 . 1 . 1 51 51 ILE C C 13 175.959 0.3 . 1 . . . . A 51 ILE C . 30956 1 598 . 1 . 1 51 51 ILE CA C 13 61.334 0.3 . 1 . . . . A 51 ILE CA . 30956 1 599 . 1 . 1 51 51 ILE CB C 13 38.855 0.3 . 1 . . . . A 51 ILE CB . 30956 1 600 . 1 . 1 51 51 ILE CG1 C 13 27.405 0.3 . 1 . . . . A 51 ILE CG1 . 30956 1 601 . 1 . 1 51 51 ILE CG2 C 13 17.650 0.3 . 1 . . . . A 51 ILE CG2 . 30956 1 602 . 1 . 1 51 51 ILE CD1 C 13 15.003 0.3 . 1 . . . . A 51 ILE CD1 . 30956 1 603 . 1 . 1 51 51 ILE N N 15 122.384 0.3 . 1 . . . . A 51 ILE N . 30956 1 604 . 1 . 1 52 52 GLN H H 1 8.636 0.020 . 1 . . . . A 52 GLN H . 30956 1 605 . 1 . 1 52 52 GLN HA H 1 4.256 0.020 . 1 . . . . A 52 GLN HA . 30956 1 606 . 1 . 1 52 52 GLN HB2 H 1 1.939 0.020 . 2 . . . . A 52 GLN HB2 . 30956 1 607 . 1 . 1 52 52 GLN HB3 H 1 2.084 0.020 . 2 . . . . A 52 GLN HB3 . 30956 1 608 . 1 . 1 52 52 GLN HG2 H 1 2.353 0.020 . 2 . . . . A 52 GLN HG2 . 30956 1 609 . 1 . 1 52 52 GLN HG3 H 1 2.371 0.020 . 2 . . . . A 52 GLN HG3 . 30956 1 610 . 1 . 1 52 52 GLN HE21 H 1 7.479 0.020 . 1 . . . . A 52 GLN HE21 . 30956 1 611 . 1 . 1 52 52 GLN HE22 H 1 6.860 0.020 . 1 . . . . A 52 GLN HE22 . 30956 1 612 . 1 . 1 52 52 GLN C C 13 176.491 0.3 . 1 . . . . A 52 GLN C . 30956 1 613 . 1 . 1 52 52 GLN CA C 13 55.547 0.3 . 1 . . . . A 52 GLN CA . 30956 1 614 . 1 . 1 52 52 GLN CB C 13 29.221 0.3 . 1 . . . . A 52 GLN CB . 30956 1 615 . 1 . 1 52 52 GLN CG C 13 33.695 0.3 . 1 . . . . A 52 GLN CG . 30956 1 616 . 1 . 1 52 52 GLN CD C 13 180.468 0.3 . 1 . . . . A 52 GLN CD . 30956 1 617 . 1 . 1 52 52 GLN N N 15 126.771 0.3 . 1 . . . . A 52 GLN N . 30956 1 618 . 1 . 1 52 52 GLN NE2 N 15 112.745 0.3 . 1 . . . . A 52 GLN NE2 . 30956 1 619 . 1 . 1 53 53 GLY H H 1 8.115 0.020 . 1 . . . . A 53 GLY H . 30956 1 620 . 1 . 1 53 53 GLY HA2 H 1 3.256 0.020 . 2 . . . . A 53 GLY HA2 . 30956 1 621 . 1 . 1 53 53 GLY HA3 H 1 3.849 0.020 . 2 . . . . A 53 GLY HA3 . 30956 1 622 . 1 . 1 53 53 GLY C C 13 173.870 0.3 . 1 . . . . A 53 GLY C . 30956 1 623 . 1 . 1 53 53 GLY CA C 13 45.583 0.3 . 1 . . . . A 53 GLY CA . 30956 1 624 . 1 . 1 53 53 GLY N N 15 109.037 0.3 . 1 . . . . A 53 GLY N . 30956 1 625 . 1 . 1 54 54 SER H H 1 8.671 0.020 . 1 . . . . A 54 SER H . 30956 1 626 . 1 . 1 54 54 SER HA H 1 4.243 0.020 . 1 . . . . A 54 SER HA . 30956 1 627 . 1 . 1 54 54 SER HB2 H 1 3.880 0.020 . 1 . . . . A 54 SER HB2 . 30956 1 628 . 1 . 1 54 54 SER HB3 H 1 3.880 0.020 . 1 . . . . A 54 SER HB3 . 30956 1 629 . 1 . 1 54 54 SER C C 13 172.348 0.3 . 1 . . . . A 54 SER C . 30956 1 630 . 1 . 1 54 54 SER CA C 13 56.450 0.3 . 1 . . . . A 54 SER CA . 30956 1 631 . 1 . 1 54 54 SER CB C 13 61.628 0.3 . 1 . . . . A 54 SER CB . 30956 1 632 . 1 . 1 54 54 SER N N 15 119.096 0.3 . 1 . . . . A 54 SER N . 30956 1 633 . 1 . 1 55 55 TYR H H 1 7.175 0.020 . 1 . . . . A 55 TYR H . 30956 1 634 . 1 . 1 55 55 TYR HA H 1 5.314 0.020 . 1 . . . . A 55 TYR HA . 30956 1 635 . 1 . 1 55 55 TYR HB2 H 1 2.556 0.020 . 2 . . . . A 55 TYR HB2 . 30956 1 636 . 1 . 1 55 55 TYR HB3 H 1 2.642 0.020 . 2 . . . . A 55 TYR HB3 . 30956 1 637 . 1 . 1 55 55 TYR HD1 H 1 6.910 0.020 . 1 . . . . A 55 TYR HD1 . 30956 1 638 . 1 . 1 55 55 TYR HD2 H 1 6.910 0.020 . 1 . . . . A 55 TYR HD2 . 30956 1 639 . 1 . 1 55 55 TYR HE1 H 1 6.698 0.020 . 1 . . . . A 55 TYR HE1 . 30956 1 640 . 1 . 1 55 55 TYR HE2 H 1 6.698 0.020 . 1 . . . . A 55 TYR HE2 . 30956 1 641 . 1 . 1 55 55 TYR C C 13 173.882 0.3 . 1 . . . . A 55 TYR C . 30956 1 642 . 1 . 1 55 55 TYR CA C 13 54.500 0.3 . 1 . . . . A 55 TYR CA . 30956 1 643 . 1 . 1 55 55 TYR CB C 13 39.379 0.3 . 1 . . . . A 55 TYR CB . 30956 1 644 . 1 . 1 55 55 TYR CD1 C 13 132.492 0.3 . 1 . . . . A 55 TYR CD1 . 30956 1 645 . 1 . 1 55 55 TYR CD2 C 13 132.492 0.3 . 1 . . . . A 55 TYR CD2 . 30956 1 646 . 1 . 1 55 55 TYR CE1 C 13 117.659 0.3 . 1 . . . . A 55 TYR CE1 . 30956 1 647 . 1 . 1 55 55 TYR CE2 C 13 117.659 0.3 . 1 . . . . A 55 TYR CE2 . 30956 1 648 . 1 . 1 55 55 TYR N N 15 123.034 0.3 . 1 . . . . A 55 TYR N . 30956 1 649 . 1 . 1 56 56 PHE H H 1 8.621 0.020 . 1 . . . . A 56 PHE H . 30956 1 650 . 1 . 1 56 56 PHE HA H 1 5.970 0.020 . 1 . . . . A 56 PHE HA . 30956 1 651 . 1 . 1 56 56 PHE HB2 H 1 2.208 0.020 . 2 . . . . A 56 PHE HB2 . 30956 1 652 . 1 . 1 56 56 PHE HB3 H 1 3.068 0.020 . 2 . . . . A 56 PHE HB3 . 30956 1 653 . 1 . 1 56 56 PHE HD1 H 1 6.004 0.020 . 1 . . . . A 56 PHE HD1 . 30956 1 654 . 1 . 1 56 56 PHE HD2 H 1 6.004 0.020 . 1 . . . . A 56 PHE HD2 . 30956 1 655 . 1 . 1 56 56 PHE HE1 H 1 7.293 0.020 . 1 . . . . A 56 PHE HE1 . 30956 1 656 . 1 . 1 56 56 PHE HE2 H 1 7.293 0.020 . 1 . . . . A 56 PHE HE2 . 30956 1 657 . 1 . 1 56 56 PHE HZ H 1 6.487 0.020 . 1 . . . . A 56 PHE HZ . 30956 1 658 . 1 . 1 56 56 PHE C C 13 176.345 0.3 . 1 . . . . A 56 PHE C . 30956 1 659 . 1 . 1 56 56 PHE CA C 13 56.253 0.3 . 1 . . . . A 56 PHE CA . 30956 1 660 . 1 . 1 56 56 PHE CB C 13 45.777 0.3 . 1 . . . . A 56 PHE CB . 30956 1 661 . 1 . 1 56 56 PHE CD1 C 13 126.016 0.3 . 1 . . . . A 56 PHE CD1 . 30956 1 662 . 1 . 1 56 56 PHE CD2 C 13 126.016 0.3 . 1 . . . . A 56 PHE CD2 . 30956 1 663 . 1 . 1 56 56 PHE N N 15 116.797 0.3 . 1 . . . . A 56 PHE N . 30956 1 664 . 1 . 1 57 57 CYS H H 1 10.364 0.020 . 1 . . . . A 57 CYS H . 30956 1 665 . 1 . 1 57 57 CYS HA H 1 4.712 0.020 . 1 . . . . A 57 CYS HA . 30956 1 666 . 1 . 1 57 57 CYS HB2 H 1 2.622 0.020 . 2 . . . . A 57 CYS HB2 . 30956 1 667 . 1 . 1 57 57 CYS HB3 H 1 3.064 0.020 . 2 . . . . A 57 CYS HB3 . 30956 1 668 . 1 . 1 57 57 CYS C C 13 175.789 0.3 . 1 . . . . A 57 CYS C . 30956 1 669 . 1 . 1 57 57 CYS CA C 13 60.115 0.3 . 1 . . . . A 57 CYS CA . 30956 1 670 . 1 . 1 57 57 CYS CB C 13 31.412 0.3 . 1 . . . . A 57 CYS CB . 30956 1 671 . 1 . 1 57 57 CYS N N 15 121.885 0.3 . 1 . . . . A 57 CYS N . 30956 1 672 . 1 . 1 58 58 SER H H 1 7.316 0.020 . 1 . . . . A 58 SER H . 30956 1 673 . 1 . 1 58 58 SER HA H 1 4.548 0.020 . 1 . . . . A 58 SER HA . 30956 1 674 . 1 . 1 58 58 SER HB2 H 1 4.105 0.020 . 2 . . . . A 58 SER HB2 . 30956 1 675 . 1 . 1 58 58 SER HB3 H 1 4.201 0.020 . 2 . . . . A 58 SER HB3 . 30956 1 676 . 1 . 1 58 58 SER HG H 1 5.116 0.020 . 1 . . . . A 58 SER HG . 30956 1 677 . 1 . 1 58 58 SER C C 13 172.925 0.3 . 1 . . . . A 58 SER C . 30956 1 678 . 1 . 1 58 58 SER CA C 13 57.274 0.3 . 1 . . . . A 58 SER CA . 30956 1 679 . 1 . 1 58 58 SER CB C 13 65.052 0.3 . 1 . . . . A 58 SER CB . 30956 1 680 . 1 . 1 58 58 SER N N 15 113.301 0.3 . 1 . . . . A 58 SER N . 30956 1 681 . 1 . 1 59 59 GLN H H 1 9.315 0.020 . 1 . . . . A 59 GLN H . 30956 1 682 . 1 . 1 59 59 GLN HA H 1 3.819 0.020 . 1 . . . . A 59 GLN HA . 30956 1 683 . 1 . 1 59 59 GLN HB2 H 1 2.252 0.020 . 2 . . . . A 59 GLN HB2 . 30956 1 684 . 1 . 1 59 59 GLN HB3 H 1 1.936 0.020 . 2 . . . . A 59 GLN HB3 . 30956 1 685 . 1 . 1 59 59 GLN HG2 H 1 2.580 0.020 . 1 . . . . A 59 GLN HG2 . 30956 1 686 . 1 . 1 59 59 GLN HG3 H 1 2.580 0.020 . 1 . . . . A 59 GLN HG3 . 30956 1 687 . 1 . 1 59 59 GLN HE21 H 1 7.761 0.020 . 1 . . . . A 59 GLN HE21 . 30956 1 688 . 1 . 1 59 59 GLN HE22 H 1 6.890 0.020 . 1 . . . . A 59 GLN HE22 . 30956 1 689 . 1 . 1 59 59 GLN C C 13 177.759 0.3 . 1 . . . . A 59 GLN C . 30956 1 690 . 1 . 1 59 59 GLN CA C 13 58.569 0.3 . 1 . . . . A 59 GLN CA . 30956 1 691 . 1 . 1 59 59 GLN CB C 13 27.615 0.3 . 1 . . . . A 59 GLN CB . 30956 1 692 . 1 . 1 59 59 GLN CG C 13 32.335 0.3 . 1 . . . . A 59 GLN CG . 30956 1 693 . 1 . 1 59 59 GLN CD C 13 178.832 0.3 . 1 . . . . A 59 GLN CD . 30956 1 694 . 1 . 1 59 59 GLN N N 15 123.690 0.3 . 1 . . . . A 59 GLN N . 30956 1 695 . 1 . 1 59 59 GLN NE2 N 15 113.260 0.3 . 1 . . . . A 59 GLN NE2 . 30956 1 696 . 1 . 1 60 60 GLU H H 1 9.061 0.020 . 1 . . . . A 60 GLU H . 30956 1 697 . 1 . 1 60 60 GLU HA H 1 3.926 0.020 . 1 . . . . A 60 GLU HA . 30956 1 698 . 1 . 1 60 60 GLU HB2 H 1 1.928 0.020 . 2 . . . . A 60 GLU HB2 . 30956 1 699 . 1 . 1 60 60 GLU HB3 H 1 2.021 0.020 . 2 . . . . A 60 GLU HB3 . 30956 1 700 . 1 . 1 60 60 GLU HG2 H 1 2.250 0.020 . 2 . . . . A 60 GLU HG2 . 30956 1 701 . 1 . 1 60 60 GLU HG3 H 1 2.384 0.020 . 2 . . . . A 60 GLU HG3 . 30956 1 702 . 1 . 1 60 60 GLU C C 13 178.364 0.3 . 1 . . . . A 60 GLU C . 30956 1 703 . 1 . 1 60 60 GLU CA C 13 60.201 0.3 . 1 . . . . A 60 GLU CA . 30956 1 704 . 1 . 1 60 60 GLU CB C 13 29.055 0.3 . 1 . . . . A 60 GLU CB . 30956 1 705 . 1 . 1 60 60 GLU CG C 13 36.459 0.3 . 1 . . . . A 60 GLU CG . 30956 1 706 . 1 . 1 60 60 GLU N N 15 117.457 0.3 . 1 . . . . A 60 GLU N . 30956 1 707 . 1 . 1 61 61 CYS H H 1 7.517 0.020 . 1 . . . . A 61 CYS H . 30956 1 708 . 1 . 1 61 61 CYS HA H 1 4.028 0.020 . 1 . . . . A 61 CYS HA . 30956 1 709 . 1 . 1 61 61 CYS HB2 H 1 2.772 0.020 . 2 . . . . A 61 CYS HB2 . 30956 1 710 . 1 . 1 61 61 CYS HB3 H 1 3.168 0.020 . 2 . . . . A 61 CYS HB3 . 30956 1 711 . 1 . 1 61 61 CYS C C 13 178.480 0.3 . 1 . . . . A 61 CYS C . 30956 1 712 . 1 . 1 61 61 CYS CA C 13 62.808 0.3 . 1 . . . . A 61 CYS CA . 30956 1 713 . 1 . 1 61 61 CYS CB C 13 31.181 0.3 . 1 . . . . A 61 CYS CB . 30956 1 714 . 1 . 1 61 61 CYS N N 15 123.253 0.3 . 1 . . . . A 61 CYS N . 30956 1 715 . 1 . 1 62 62 PHE H H 1 7.676 0.020 . 1 . . . . A 62 PHE H . 30956 1 716 . 1 . 1 62 62 PHE HA H 1 3.816 0.020 . 1 . . . . A 62 PHE HA . 30956 1 717 . 1 . 1 62 62 PHE HB2 H 1 2.563 0.020 . 2 . . . . A 62 PHE HB2 . 30956 1 718 . 1 . 1 62 62 PHE HB3 H 1 2.835 0.020 . 2 . . . . A 62 PHE HB3 . 30956 1 719 . 1 . 1 62 62 PHE HD1 H 1 7.675 0.020 . 1 . . . . A 62 PHE HD1 . 30956 1 720 . 1 . 1 62 62 PHE HD2 H 1 7.675 0.020 . 1 . . . . A 62 PHE HD2 . 30956 1 721 . 1 . 1 62 62 PHE HE1 H 1 6.719 0.020 . 1 . . . . A 62 PHE HE1 . 30956 1 722 . 1 . 1 62 62 PHE HE2 H 1 6.719 0.020 . 1 . . . . A 62 PHE HE2 . 30956 1 723 . 1 . 1 62 62 PHE HZ H 1 5.800 0.020 . 1 . . . . A 62 PHE HZ . 30956 1 724 . 1 . 1 62 62 PHE C C 13 177.042 0.3 . 1 . . . . A 62 PHE C . 30956 1 725 . 1 . 1 62 62 PHE CA C 13 59.376 0.3 . 1 . . . . A 62 PHE CA . 30956 1 726 . 1 . 1 62 62 PHE CB C 13 40.827 0.3 . 1 . . . . A 62 PHE CB . 30956 1 727 . 1 . 1 62 62 PHE CD1 C 13 128.716 0.3 . 1 . . . . A 62 PHE CD1 . 30956 1 728 . 1 . 1 62 62 PHE CD2 C 13 128.716 0.3 . 1 . . . . A 62 PHE CD2 . 30956 1 729 . 1 . 1 62 62 PHE N N 15 118.577 0.3 . 1 . . . . A 62 PHE N . 30956 1 730 . 1 . 1 63 63 LYS H H 1 8.782 0.020 . 1 . . . . A 63 LYS H . 30956 1 731 . 1 . 1 63 63 LYS HA H 1 3.848 0.020 . 1 . . . . A 63 LYS HA . 30956 1 732 . 1 . 1 63 63 LYS HB2 H 1 1.865 0.020 . 1 . . . . A 63 LYS HB2 . 30956 1 733 . 1 . 1 63 63 LYS HB3 H 1 1.865 0.020 . 1 . . . . A 63 LYS HB3 . 30956 1 734 . 1 . 1 63 63 LYS HG2 H 1 1.416 0.020 . 2 . . . . A 63 LYS HG2 . 30956 1 735 . 1 . 1 63 63 LYS HG3 H 1 1.504 0.020 . 2 . . . . A 63 LYS HG3 . 30956 1 736 . 1 . 1 63 63 LYS HD2 H 1 1.574 0.020 . 2 . . . . A 63 LYS HD2 . 30956 1 737 . 1 . 1 63 63 LYS HD3 H 1 1.670 0.020 . 2 . . . . A 63 LYS HD3 . 30956 1 738 . 1 . 1 63 63 LYS HE2 H 1 2.890 0.020 . 1 . . . . A 63 LYS HE2 . 30956 1 739 . 1 . 1 63 63 LYS HE3 H 1 2.890 0.020 . 1 . . . . A 63 LYS HE3 . 30956 1 740 . 1 . 1 63 63 LYS C C 13 180.248 0.3 . 1 . . . . A 63 LYS C . 30956 1 741 . 1 . 1 63 63 LYS CA C 13 59.601 0.3 . 1 . . . . A 63 LYS CA . 30956 1 742 . 1 . 1 63 63 LYS CB C 13 32.062 0.3 . 1 . . . . A 63 LYS CB . 30956 1 743 . 1 . 1 63 63 LYS CG C 13 25.075 0.3 . 1 . . . . A 63 LYS CG . 30956 1 744 . 1 . 1 63 63 LYS CD C 13 29.377 0.3 . 1 . . . . A 63 LYS CD . 30956 1 745 . 1 . 1 63 63 LYS CE C 13 41.837 0.3 . 1 . . . . A 63 LYS CE . 30956 1 746 . 1 . 1 63 63 LYS N N 15 118.547 0.3 . 1 . . . . A 63 LYS N . 30956 1 747 . 1 . 1 64 64 GLY H H 1 7.751 0.020 . 1 . . . . A 64 GLY H . 30956 1 748 . 1 . 1 64 64 GLY HA2 H 1 4.004 0.020 . 2 . . . . A 64 GLY HA2 . 30956 1 749 . 1 . 1 64 64 GLY HA3 H 1 4.185 0.020 . 2 . . . . A 64 GLY HA3 . 30956 1 750 . 1 . 1 64 64 GLY C C 13 175.851 0.3 . 1 . . . . A 64 GLY C . 30956 1 751 . 1 . 1 64 64 GLY CA C 13 46.730 0.3 . 1 . . . . A 64 GLY CA . 30956 1 752 . 1 . 1 64 64 GLY N N 15 105.650 0.3 . 1 . . . . A 64 GLY N . 30956 1 753 . 1 . 1 65 65 SER H H 1 7.660 0.020 . 1 . . . . A 65 SER H . 30956 1 754 . 1 . 1 65 65 SER HA H 1 4.817 0.020 . 1 . . . . A 65 SER HA . 30956 1 755 . 1 . 1 65 65 SER HB2 H 1 4.077 0.020 . 2 . . . . A 65 SER HB2 . 30956 1 756 . 1 . 1 65 65 SER HB3 H 1 4.218 0.020 . 2 . . . . A 65 SER HB3 . 30956 1 757 . 1 . 1 65 65 SER HG H 1 5.926 0.020 . 1 . . . . A 65 SER HG . 30956 1 758 . 1 . 1 65 65 SER C C 13 174.749 0.3 . 1 . . . . A 65 SER C . 30956 1 759 . 1 . 1 65 65 SER CA C 13 58.368 0.3 . 1 . . . . A 65 SER CA . 30956 1 760 . 1 . 1 65 65 SER CB C 13 64.212 0.3 . 1 . . . . A 65 SER CB . 30956 1 761 . 1 . 1 65 65 SER N N 15 116.668 0.3 . 1 . . . . A 65 SER N . 30956 1 762 . 1 . 1 66 66 TRP H H 1 7.741 0.020 . 1 . . . . A 66 TRP H . 30956 1 763 . 1 . 1 66 66 TRP HA H 1 4.126 0.020 . 1 . . . . A 66 TRP HA . 30956 1 764 . 1 . 1 66 66 TRP HB2 H 1 3.067 0.020 . 2 . . . . A 66 TRP HB2 . 30956 1 765 . 1 . 1 66 66 TRP HB3 H 1 3.141 0.020 . 2 . . . . A 66 TRP HB3 . 30956 1 766 . 1 . 1 66 66 TRP HD1 H 1 7.199 0.020 . 1 . . . . A 66 TRP HD1 . 30956 1 767 . 1 . 1 66 66 TRP HE1 H 1 10.049 0.020 . 1 . . . . A 66 TRP HE1 . 30956 1 768 . 1 . 1 66 66 TRP HE3 H 1 7.221 0.020 . 1 . . . . A 66 TRP HE3 . 30956 1 769 . 1 . 1 66 66 TRP HZ2 H 1 7.296 0.020 . 1 . . . . A 66 TRP HZ2 . 30956 1 770 . 1 . 1 66 66 TRP HZ3 H 1 6.956 0.020 . 1 . . . . A 66 TRP HZ3 . 30956 1 771 . 1 . 1 66 66 TRP HH2 H 1 7.428 0.020 . 1 . . . . A 66 TRP HH2 . 30956 1 772 . 1 . 1 66 66 TRP C C 13 175.049 0.3 . 1 . . . . A 66 TRP C . 30956 1 773 . 1 . 1 66 66 TRP CA C 13 59.719 0.3 . 1 . . . . A 66 TRP CA . 30956 1 774 . 1 . 1 66 66 TRP CB C 13 30.663 0.3 . 1 . . . . A 66 TRP CB . 30956 1 775 . 1 . 1 66 66 TRP CD1 C 13 127.254 0.3 . 1 . . . . A 66 TRP CD1 . 30956 1 776 . 1 . 1 66 66 TRP CE3 C 13 120.869 0.3 . 1 . . . . A 66 TRP CE3 . 30956 1 777 . 1 . 1 66 66 TRP CZ2 C 13 115.726 0.3 . 1 . . . . A 66 TRP CZ2 . 30956 1 778 . 1 . 1 66 66 TRP CZ3 C 13 122.388 0.3 . 1 . . . . A 66 TRP CZ3 . 30956 1 779 . 1 . 1 66 66 TRP CH2 C 13 123.935 0.3 . 1 . . . . A 66 TRP CH2 . 30956 1 780 . 1 . 1 66 66 TRP N N 15 125.761 0.3 . 1 . . . . A 66 TRP N . 30956 1 781 . 1 . 1 66 66 TRP NE1 N 15 128.287 0.3 . 1 . . . . A 66 TRP NE1 . 30956 1 782 . 1 . 1 67 67 ALA H H 1 8.563 0.020 . 1 . . . . A 67 ALA H . 30956 1 783 . 1 . 1 67 67 ALA HA H 1 3.539 0.020 . 1 . . . . A 67 ALA HA . 30956 1 784 . 1 . 1 67 67 ALA HB1 H 1 1.377 0.020 . 1 . . . . A 67 ALA HB1 . 30956 1 785 . 1 . 1 67 67 ALA HB2 H 1 1.377 0.020 . 1 . . . . A 67 ALA HB2 . 30956 1 786 . 1 . 1 67 67 ALA HB3 H 1 1.377 0.020 . 1 . . . . A 67 ALA HB3 . 30956 1 787 . 1 . 1 67 67 ALA C C 13 179.299 0.3 . 1 . . . . A 67 ALA C . 30956 1 788 . 1 . 1 67 67 ALA CA C 13 55.255 0.3 . 1 . . . . A 67 ALA CA . 30956 1 789 . 1 . 1 67 67 ALA CB C 13 17.975 0.3 . 1 . . . . A 67 ALA CB . 30956 1 790 . 1 . 1 67 67 ALA N N 15 116.793 0.3 . 1 . . . . A 67 ALA N . 30956 1 791 . 1 . 1 68 68 THR H H 1 7.367 0.020 . 1 . . . . A 68 THR H . 30956 1 792 . 1 . 1 68 68 THR HA H 1 4.156 0.020 . 1 . . . . A 68 THR HA . 30956 1 793 . 1 . 1 68 68 THR HB H 1 4.182 0.020 . 1 . . . . A 68 THR HB . 30956 1 794 . 1 . 1 68 68 THR HG1 H 1 4.841 0.020 . 1 . . . . A 68 THR HG1 . 30956 1 795 . 1 . 1 68 68 THR HG21 H 1 1.215 0.020 . 1 . . . . A 68 THR HG21 . 30956 1 796 . 1 . 1 68 68 THR HG22 H 1 1.215 0.020 . 1 . . . . A 68 THR HG22 . 30956 1 797 . 1 . 1 68 68 THR HG23 H 1 1.215 0.020 . 1 . . . . A 68 THR HG23 . 30956 1 798 . 1 . 1 68 68 THR C C 13 176.731 0.3 . 1 . . . . A 68 THR C . 30956 1 799 . 1 . 1 68 68 THR CA C 13 63.579 0.3 . 1 . . . . A 68 THR CA . 30956 1 800 . 1 . 1 68 68 THR CB C 13 68.903 0.3 . 1 . . . . A 68 THR CB . 30956 1 801 . 1 . 1 68 68 THR CG2 C 13 21.927 0.3 . 1 . . . . A 68 THR CG2 . 30956 1 802 . 1 . 1 68 68 THR N N 15 107.206 0.3 . 1 . . . . A 68 THR N . 30956 1 803 . 1 . 1 69 69 HIS H H 1 8.866 0.020 . 1 . . . . A 69 HIS H . 30956 1 804 . 1 . 1 69 69 HIS HA H 1 3.926 0.020 . 1 . . . . A 69 HIS HA . 30956 1 805 . 1 . 1 69 69 HIS HB2 H 1 2.769 0.020 . 2 . . . . A 69 HIS HB2 . 30956 1 806 . 1 . 1 69 69 HIS HB3 H 1 3.159 0.020 . 2 . . . . A 69 HIS HB3 . 30956 1 807 . 1 . 1 69 69 HIS HD2 H 1 6.752 0.020 . 1 . . . . A 69 HIS HD2 . 30956 1 808 . 1 . 1 69 69 HIS HE1 H 1 8.399 0.020 . 1 . . . . A 69 HIS HE1 . 30956 1 809 . 1 . 1 69 69 HIS C C 13 176.333 0.3 . 1 . . . . A 69 HIS C . 30956 1 810 . 1 . 1 69 69 HIS CA C 13 60.390 0.3 . 1 . . . . A 69 HIS CA . 30956 1 811 . 1 . 1 69 69 HIS CB C 13 28.915 0.3 . 1 . . . . A 69 HIS CB . 30956 1 812 . 1 . 1 69 69 HIS CD2 C 13 127.127 0.3 . 1 . . . . A 69 HIS CD2 . 30956 1 813 . 1 . 1 69 69 HIS CE1 C 13 139.866 0.3 . 1 . . . . A 69 HIS CE1 . 30956 1 814 . 1 . 1 69 69 HIS N N 15 124.699 0.3 . 1 . . . . A 69 HIS N . 30956 1 815 . 1 . 1 69 69 HIS ND1 N 15 172.285 0.3 . 1 . . . . A 69 HIS ND1 . 30956 1 816 . 1 . 1 69 69 HIS NE2 N 15 217.908 0.3 . 1 . . . . A 69 HIS NE2 . 30956 1 817 . 1 . 1 70 70 LYS H H 1 8.157 0.020 . 1 . . . . A 70 LYS H . 30956 1 818 . 1 . 1 70 70 LYS HA H 1 2.381 0.020 . 1 . . . . A 70 LYS HA . 30956 1 819 . 1 . 1 70 70 LYS HB2 H 1 -0.521 0.020 . 2 . . . . A 70 LYS HB2 . 30956 1 820 . 1 . 1 70 70 LYS HB3 H 1 0.971 0.020 . 2 . . . . A 70 LYS HB3 . 30956 1 821 . 1 . 1 70 70 LYS HG2 H 1 0.454 0.020 . 2 . . . . A 70 LYS HG2 . 30956 1 822 . 1 . 1 70 70 LYS HG3 H 1 0.964 0.020 . 2 . . . . A 70 LYS HG3 . 30956 1 823 . 1 . 1 70 70 LYS HD2 H 1 0.966 0.020 . 1 . . . . A 70 LYS HD2 . 30956 1 824 . 1 . 1 70 70 LYS HD3 H 1 0.966 0.020 . 1 . . . . A 70 LYS HD3 . 30956 1 825 . 1 . 1 70 70 LYS HE2 H 1 2.763 0.020 . 1 . . . . A 70 LYS HE2 . 30956 1 826 . 1 . 1 70 70 LYS HE3 H 1 2.763 0.020 . 1 . . . . A 70 LYS HE3 . 30956 1 827 . 1 . 1 70 70 LYS C C 13 177.429 0.3 . 1 . . . . A 70 LYS C . 30956 1 828 . 1 . 1 70 70 LYS CA C 13 58.005 0.3 . 1 . . . . A 70 LYS CA . 30956 1 829 . 1 . 1 70 70 LYS CB C 13 29.303 0.3 . 1 . . . . A 70 LYS CB . 30956 1 830 . 1 . 1 70 70 LYS CG C 13 23.095 0.3 . 1 . . . . A 70 LYS CG . 30956 1 831 . 1 . 1 70 70 LYS CD C 13 29.119 0.3 . 1 . . . . A 70 LYS CD . 30956 1 832 . 1 . 1 70 70 LYS CE C 13 41.657 0.3 . 1 . . . . A 70 LYS CE . 30956 1 833 . 1 . 1 70 70 LYS N N 15 112.863 0.3 . 1 . . . . A 70 LYS N . 30956 1 834 . 1 . 1 71 71 LEU H H 1 6.770 0.020 . 1 . . . . A 71 LEU H . 30956 1 835 . 1 . 1 71 71 LEU HA H 1 3.747 0.020 . 1 . . . . A 71 LEU HA . 30956 1 836 . 1 . 1 71 71 LEU HB2 H 1 1.387 0.020 . 2 . . . . A 71 LEU HB2 . 30956 1 837 . 1 . 1 71 71 LEU HB3 H 1 1.669 0.020 . 2 . . . . A 71 LEU HB3 . 30956 1 838 . 1 . 1 71 71 LEU HG H 1 1.614 0.020 . 1 . . . . A 71 LEU HG . 30956 1 839 . 1 . 1 71 71 LEU HD11 H 1 0.898 0.020 . 2 . . . . A 71 LEU HD11 . 30956 1 840 . 1 . 1 71 71 LEU HD12 H 1 0.898 0.020 . 2 . . . . A 71 LEU HD12 . 30956 1 841 . 1 . 1 71 71 LEU HD13 H 1 0.898 0.020 . 2 . . . . A 71 LEU HD13 . 30956 1 842 . 1 . 1 71 71 LEU HD21 H 1 0.717 0.020 . 2 . . . . A 71 LEU HD21 . 30956 1 843 . 1 . 1 71 71 LEU HD22 H 1 0.717 0.020 . 2 . . . . A 71 LEU HD22 . 30956 1 844 . 1 . 1 71 71 LEU HD23 H 1 0.717 0.020 . 2 . . . . A 71 LEU HD23 . 30956 1 845 . 1 . 1 71 71 LEU C C 13 179.625 0.3 . 1 . . . . A 71 LEU C . 30956 1 846 . 1 . 1 71 71 LEU CA C 13 56.701 0.3 . 1 . . . . A 71 LEU CA . 30956 1 847 . 1 . 1 71 71 LEU CB C 13 40.363 0.3 . 1 . . . . A 71 LEU CB . 30956 1 848 . 1 . 1 71 71 LEU CG C 13 26.688 0.3 . 1 . . . . A 71 LEU CG . 30956 1 849 . 1 . 1 71 71 LEU CD1 C 13 24.975 0.3 . 1 . . . . A 71 LEU CD1 . 30956 1 850 . 1 . 1 71 71 LEU CD2 C 13 21.938 0.3 . 1 . . . . A 71 LEU CD2 . 30956 1 851 . 1 . 1 71 71 LEU N N 15 120.402 0.3 . 1 . . . . A 71 LEU N . 30956 1 852 . 1 . 1 72 72 LEU H H 1 7.722 0.020 . 1 . . . . A 72 LEU H . 30956 1 853 . 1 . 1 72 72 LEU HA H 1 3.917 0.020 . 1 . . . . A 72 LEU HA . 30956 1 854 . 1 . 1 72 72 LEU HB2 H 1 1.298 0.020 . 2 . . . . A 72 LEU HB2 . 30956 1 855 . 1 . 1 72 72 LEU HB3 H 1 1.361 0.020 . 2 . . . . A 72 LEU HB3 . 30956 1 856 . 1 . 1 72 72 LEU HG H 1 1.598 0.020 . 1 . . . . A 72 LEU HG . 30956 1 857 . 1 . 1 72 72 LEU HD11 H 1 0.792 0.020 . 2 . . . . A 72 LEU HD11 . 30956 1 858 . 1 . 1 72 72 LEU HD12 H 1 0.792 0.020 . 2 . . . . A 72 LEU HD12 . 30956 1 859 . 1 . 1 72 72 LEU HD13 H 1 0.792 0.020 . 2 . . . . A 72 LEU HD13 . 30956 1 860 . 1 . 1 72 72 LEU HD21 H 1 0.791 0.020 . 2 . . . . A 72 LEU HD21 . 30956 1 861 . 1 . 1 72 72 LEU HD22 H 1 0.791 0.020 . 2 . . . . A 72 LEU HD22 . 30956 1 862 . 1 . 1 72 72 LEU HD23 H 1 0.791 0.020 . 2 . . . . A 72 LEU HD23 . 30956 1 863 . 1 . 1 72 72 LEU C C 13 178.893 0.3 . 1 . . . . A 72 LEU C . 30956 1 864 . 1 . 1 72 72 LEU CA C 13 56.835 0.3 . 1 . . . . A 72 LEU CA . 30956 1 865 . 1 . 1 72 72 LEU CB C 13 41.465 0.3 . 1 . . . . A 72 LEU CB . 30956 1 866 . 1 . 1 72 72 LEU CG C 13 27.047 0.3 . 1 . . . . A 72 LEU CG . 30956 1 867 . 1 . 1 72 72 LEU CD1 C 13 25.029 0.3 . 1 . . . . A 72 LEU CD1 . 30956 1 868 . 1 . 1 72 72 LEU CD2 C 13 23.218 0.3 . 1 . . . . A 72 LEU CD2 . 30956 1 869 . 1 . 1 72 72 LEU N N 15 118.750 0.3 . 1 . . . . A 72 LEU N . 30956 1 870 . 1 . 1 73 73 HIS H H 1 6.895 0.020 . 1 . . . . A 73 HIS H . 30956 1 871 . 1 . 1 73 73 HIS HA H 1 4.261 0.020 . 1 . . . . A 73 HIS HA . 30956 1 872 . 1 . 1 73 73 HIS HB2 H 1 3.373 0.020 . 2 . . . . A 73 HIS HB2 . 30956 1 873 . 1 . 1 73 73 HIS HB3 H 1 3.121 0.020 . 2 . . . . A 73 HIS HB3 . 30956 1 874 . 1 . 1 73 73 HIS HD2 H 1 6.576 0.020 . 1 . . . . A 73 HIS HD2 . 30956 1 875 . 1 . 1 73 73 HIS HE1 H 1 8.183 0.020 . 1 . . . . A 73 HIS HE1 . 30956 1 876 . 1 . 1 73 73 HIS C C 13 175.421 0.3 . 1 . . . . A 73 HIS C . 30956 1 877 . 1 . 1 73 73 HIS CA C 13 54.622 0.3 . 1 . . . . A 73 HIS CA . 30956 1 878 . 1 . 1 73 73 HIS CB C 13 28.232 0.3 . 1 . . . . A 73 HIS CB . 30956 1 879 . 1 . 1 73 73 HIS CD2 C 13 124.531 0.3 . 1 . . . . A 73 HIS CD2 . 30956 1 880 . 1 . 1 73 73 HIS CE1 C 13 137.735 0.3 . 1 . . . . A 73 HIS CE1 . 30956 1 881 . 1 . 1 73 73 HIS N N 15 115.123 0.3 . 1 . . . . A 73 HIS N . 30956 1 882 . 1 . 1 73 73 HIS ND1 N 15 176.329 0.3 . 1 . . . . A 73 HIS ND1 . 30956 1 883 . 1 . 1 73 73 HIS NE2 N 15 218.448 0.3 . 1 . . . . A 73 HIS NE2 . 30956 1 884 . 1 . 1 74 74 LYS H H 1 7.160 0.020 . 1 . . . . A 74 LYS H . 30956 1 885 . 1 . 1 74 74 LYS HA H 1 3.961 0.020 . 1 . . . . A 74 LYS HA . 30956 1 886 . 1 . 1 74 74 LYS HB2 H 1 1.392 0.020 . 2 . . . . A 74 LYS HB2 . 30956 1 887 . 1 . 1 74 74 LYS HB3 H 1 1.703 0.020 . 2 . . . . A 74 LYS HB3 . 30956 1 888 . 1 . 1 74 74 LYS HG2 H 1 1.267 0.020 . 1 . . . . A 74 LYS HG2 . 30956 1 889 . 1 . 1 74 74 LYS HG3 H 1 1.267 0.020 . 1 . . . . A 74 LYS HG3 . 30956 1 890 . 1 . 1 74 74 LYS HD2 H 1 1.522 0.020 . 1 . . . . A 74 LYS HD2 . 30956 1 891 . 1 . 1 74 74 LYS HD3 H 1 1.522 0.020 . 1 . . . . A 74 LYS HD3 . 30956 1 892 . 1 . 1 74 74 LYS HE2 H 1 2.897 0.020 . 1 . . . . A 74 LYS HE2 . 30956 1 893 . 1 . 1 74 74 LYS HE3 H 1 2.897 0.020 . 1 . . . . A 74 LYS HE3 . 30956 1 894 . 1 . 1 74 74 LYS C C 13 176.698 0.3 . 1 . . . . A 74 LYS C . 30956 1 895 . 1 . 1 74 74 LYS CA C 13 57.433 0.3 . 1 . . . . A 74 LYS CA . 30956 1 896 . 1 . 1 74 74 LYS CB C 13 32.774 0.3 . 1 . . . . A 74 LYS CB . 30956 1 897 . 1 . 1 74 74 LYS CG C 13 24.624 0.3 . 1 . . . . A 74 LYS CG . 30956 1 898 . 1 . 1 74 74 LYS CD C 13 29.051 0.3 . 1 . . . . A 74 LYS CD . 30956 1 899 . 1 . 1 74 74 LYS CE C 13 41.926 0.3 . 1 . . . . A 74 LYS CE . 30956 1 900 . 1 . 1 74 74 LYS N N 15 118.771 0.3 . 1 . . . . A 74 LYS N . 30956 1 901 . 1 . 1 75 75 LYS H H 1 7.836 0.020 . 1 . . . . A 75 LYS H . 30956 1 902 . 1 . 1 75 75 LYS HA H 1 4.100 0.020 . 1 . . . . A 75 LYS HA . 30956 1 903 . 1 . 1 75 75 LYS HB2 H 1 1.792 0.020 . 1 . . . . A 75 LYS HB2 . 30956 1 904 . 1 . 1 75 75 LYS HB3 H 1 1.792 0.020 . 1 . . . . A 75 LYS HB3 . 30956 1 905 . 1 . 1 75 75 LYS HG2 H 1 1.385 0.020 . 1 . . . . A 75 LYS HG2 . 30956 1 906 . 1 . 1 75 75 LYS HG3 H 1 1.385 0.020 . 1 . . . . A 75 LYS HG3 . 30956 1 907 . 1 . 1 75 75 LYS HD2 H 1 1.644 0.020 . 1 . . . . A 75 LYS HD2 . 30956 1 908 . 1 . 1 75 75 LYS HD3 H 1 1.644 0.020 . 1 . . . . A 75 LYS HD3 . 30956 1 909 . 1 . 1 75 75 LYS HE2 H 1 2.963 0.020 . 1 . . . . A 75 LYS HE2 . 30956 1 910 . 1 . 1 75 75 LYS HE3 H 1 2.963 0.020 . 1 . . . . A 75 LYS HE3 . 30956 1 911 . 1 . 1 75 75 LYS C C 13 177.059 0.3 . 1 . . . . A 75 LYS C . 30956 1 912 . 1 . 1 75 75 LYS CA C 13 57.596 0.3 . 1 . . . . A 75 LYS CA . 30956 1 913 . 1 . 1 75 75 LYS CB C 13 32.627 0.3 . 1 . . . . A 75 LYS CB . 30956 1 914 . 1 . 1 75 75 LYS CG C 13 24.626 0.3 . 1 . . . . A 75 LYS CG . 30956 1 915 . 1 . 1 75 75 LYS CD C 13 29.108 0.3 . 1 . . . . A 75 LYS CD . 30956 1 916 . 1 . 1 75 75 LYS CE C 13 41.926 0.3 . 1 . . . . A 75 LYS CE . 30956 1 917 . 1 . 1 75 75 LYS N N 15 120.097 0.3 . 1 . . . . A 75 LYS N . 30956 1 918 . 1 . 1 76 76 ALA H H 1 7.903 0.020 . 1 . . . . A 76 ALA H . 30956 1 919 . 1 . 1 76 76 ALA HA H 1 4.227 0.020 . 1 . . . . A 76 ALA HA . 30956 1 920 . 1 . 1 76 76 ALA HB1 H 1 1.451 0.020 . 1 . . . . A 76 ALA HB1 . 30956 1 921 . 1 . 1 76 76 ALA HB2 H 1 1.451 0.020 . 1 . . . . A 76 ALA HB2 . 30956 1 922 . 1 . 1 76 76 ALA HB3 H 1 1.451 0.020 . 1 . . . . A 76 ALA HB3 . 30956 1 923 . 1 . 1 76 76 ALA C C 13 178.469 0.3 . 1 . . . . A 76 ALA C . 30956 1 924 . 1 . 1 76 76 ALA CA C 13 53.025 0.3 . 1 . . . . A 76 ALA CA . 30956 1 925 . 1 . 1 76 76 ALA CB C 13 19.417 0.3 . 1 . . . . A 76 ALA CB . 30956 1 926 . 1 . 1 76 76 ALA N N 15 122.811 0.3 . 1 . . . . A 76 ALA N . 30956 1 927 . 1 . 1 77 77 LYS H H 1 8.044 0.020 . 1 . . . . A 77 LYS H . 30956 1 928 . 1 . 1 77 77 LYS HA H 1 4.176 0.020 . 1 . . . . A 77 LYS HA . 30956 1 929 . 1 . 1 77 77 LYS HB2 H 1 1.810 0.020 . 2 . . . . A 77 LYS HB2 . 30956 1 930 . 1 . 1 77 77 LYS HB3 H 1 1.856 0.020 . 2 . . . . A 77 LYS HB3 . 30956 1 931 . 1 . 1 77 77 LYS HG2 H 1 1.414 0.020 . 2 . . . . A 77 LYS HG2 . 30956 1 932 . 1 . 1 77 77 LYS HG3 H 1 1.483 0.020 . 2 . . . . A 77 LYS HG3 . 30956 1 933 . 1 . 1 77 77 LYS HD2 H 1 1.652 0.020 . 1 . . . . A 77 LYS HD2 . 30956 1 934 . 1 . 1 77 77 LYS HD3 H 1 1.652 0.020 . 1 . . . . A 77 LYS HD3 . 30956 1 935 . 1 . 1 77 77 LYS HE2 H 1 2.942 0.020 . 1 . . . . A 77 LYS HE2 . 30956 1 936 . 1 . 1 77 77 LYS HE3 H 1 2.942 0.020 . 1 . . . . A 77 LYS HE3 . 30956 1 937 . 1 . 1 77 77 LYS C C 13 176.816 0.3 . 1 . . . . A 77 LYS C . 30956 1 938 . 1 . 1 77 77 LYS CA C 13 57.096 0.3 . 1 . . . . A 77 LYS CA . 30956 1 939 . 1 . 1 77 77 LYS CB C 13 32.772 0.3 . 1 . . . . A 77 LYS CB . 30956 1 940 . 1 . 1 77 77 LYS CG C 13 24.895 0.3 . 1 . . . . A 77 LYS CG . 30956 1 941 . 1 . 1 77 77 LYS CD C 13 29.019 0.3 . 1 . . . . A 77 LYS CD . 30956 1 942 . 1 . 1 77 77 LYS CE C 13 41.862 0.3 . 1 . . . . A 77 LYS CE . 30956 1 943 . 1 . 1 77 77 LYS N N 15 118.995 0.3 . 1 . . . . A 77 LYS N . 30956 1 944 . 1 . 1 78 78 ASP H H 1 8.194 0.020 . 1 . . . . A 78 ASP H . 30956 1 945 . 1 . 1 78 78 ASP HA H 1 4.549 0.020 . 1 . . . . A 78 ASP HA . 30956 1 946 . 1 . 1 78 78 ASP HB2 H 1 2.615 0.020 . 2 . . . . A 78 ASP HB2 . 30956 1 947 . 1 . 1 78 78 ASP HB3 H 1 2.679 0.020 . 2 . . . . A 78 ASP HB3 . 30956 1 948 . 1 . 1 78 78 ASP C C 13 176.255 0.3 . 1 . . . . A 78 ASP C . 30956 1 949 . 1 . 1 78 78 ASP CA C 13 54.749 0.3 . 1 . . . . A 78 ASP CA . 30956 1 950 . 1 . 1 78 78 ASP CB C 13 41.106 0.3 . 1 . . . . A 78 ASP CB . 30956 1 951 . 1 . 1 78 78 ASP N N 15 120.519 0.3 . 1 . . . . A 78 ASP N . 30956 1 952 . 1 . 1 79 79 GLU H H 1 8.040 0.020 . 1 . . . . A 79 GLU H . 30956 1 953 . 1 . 1 79 79 GLU HA H 1 4.283 0.020 . 1 . . . . A 79 GLU HA . 30956 1 954 . 1 . 1 79 79 GLU HB2 H 1 1.935 0.020 . 2 . . . . A 79 GLU HB2 . 30956 1 955 . 1 . 1 79 79 GLU HB3 H 1 2.057 0.020 . 2 . . . . A 79 GLU HB3 . 30956 1 956 . 1 . 1 79 79 GLU HG2 H 1 2.265 0.020 . 1 . . . . A 79 GLU HG2 . 30956 1 957 . 1 . 1 79 79 GLU HG3 H 1 2.265 0.020 . 1 . . . . A 79 GLU HG3 . 30956 1 958 . 1 . 1 79 79 GLU C C 13 175.495 0.3 . 1 . . . . A 79 GLU C . 30956 1 959 . 1 . 1 79 79 GLU CA C 13 56.517 0.3 . 1 . . . . A 79 GLU CA . 30956 1 960 . 1 . 1 79 79 GLU CB C 13 30.314 0.3 . 1 . . . . A 79 GLU CB . 30956 1 961 . 1 . 1 79 79 GLU CG C 13 36.190 0.3 . 1 . . . . A 79 GLU CG . 30956 1 962 . 1 . 1 79 79 GLU N N 15 120.789 0.3 . 1 . . . . A 79 GLU N . 30956 1 963 . 1 . 1 80 80 LYS H H 1 7.862 0.020 . 1 . . . . A 80 LYS H . 30956 1 964 . 1 . 1 80 80 LYS HA H 1 4.117 0.020 . 1 . . . . A 80 LYS HA . 30956 1 965 . 1 . 1 80 80 LYS HB2 H 1 1.718 0.020 . 2 . . . . A 80 LYS HB2 . 30956 1 966 . 1 . 1 80 80 LYS HB3 H 1 1.804 0.020 . 2 . . . . A 80 LYS HB3 . 30956 1 967 . 1 . 1 80 80 LYS HG2 H 1 1.447 0.020 . 2 . . . . A 80 LYS HG2 . 30956 1 968 . 1 . 1 80 80 LYS HG3 H 1 1.383 0.020 . 2 . . . . A 80 LYS HG3 . 30956 1 969 . 1 . 1 80 80 LYS HD2 H 1 1.640 0.020 . 1 . . . . A 80 LYS HD2 . 30956 1 970 . 1 . 1 80 80 LYS HD3 H 1 1.640 0.020 . 1 . . . . A 80 LYS HD3 . 30956 1 971 . 1 . 1 80 80 LYS HE2 H 1 2.941 0.020 . 1 . . . . A 80 LYS HE2 . 30956 1 972 . 1 . 1 80 80 LYS HE3 H 1 2.941 0.020 . 1 . . . . A 80 LYS HE3 . 30956 1 973 . 1 . 1 80 80 LYS C C 13 181.417 0.3 . 1 . . . . A 80 LYS C . 30956 1 974 . 1 . 1 80 80 LYS CA C 13 57.548 0.3 . 1 . . . . A 80 LYS CA . 30956 1 975 . 1 . 1 80 80 LYS CB C 13 33.502 0.3 . 1 . . . . A 80 LYS CB . 30956 1 976 . 1 . 1 80 80 LYS CG C 13 24.651 0.3 . 1 . . . . A 80 LYS CG . 30956 1 977 . 1 . 1 80 80 LYS CD C 13 28.957 0.3 . 1 . . . . A 80 LYS CD . 30956 1 978 . 1 . 1 80 80 LYS CE C 13 41.914 0.3 . 1 . . . . A 80 LYS CE . 30956 1 979 . 1 . 1 80 80 LYS N N 15 127.294 0.3 . 1 . . . . A 80 LYS N . 30956 1 stop_ save_