################################### # 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 51796 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'Shift list 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 $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 2 '3D HN(CA)CO' . . . 51796 1 3 '3D HNCACB' . . . 51796 1 4 '3D C(CO)NH' . . . 51796 1 5 '2D 1H-15N TROSY' . . . 51796 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . 51796 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 6 6 ASP CB C 13 41.354 0.000 . 1 . . . . . 6 ASP CB . 51796 1 2 . 1 . 1 7 7 GLN H H 1 7.975 0.000 . 1 . . . . . 7 GLN H . 51796 1 3 . 1 . 1 7 7 GLN C C 13 178.678 0.000 . 1 . . . . . 7 GLN C . 51796 1 4 . 1 . 1 7 7 GLN CA C 13 58.797 0.000 . 1 . . . . . 7 GLN CA . 51796 1 5 . 1 . 1 7 7 GLN CB C 13 28.371 0.000 . 1 . . . . . 7 GLN CB . 51796 1 6 . 1 . 1 7 7 GLN N N 15 119.414 0.000 . 1 . . . . . 7 GLN N . 51796 1 7 . 1 . 1 8 8 ALA H H 1 8.012 0.000 . 1 . . . . . 8 ALA H . 51796 1 8 . 1 . 1 8 8 ALA C C 13 179.091 0.000 . 1 . . . . . 8 ALA C . 51796 1 9 . 1 . 1 8 8 ALA CA C 13 55.335 0.000 . 1 . . . . . 8 ALA CA . 51796 1 10 . 1 . 1 8 8 ALA CB C 13 18.051 0.000 . 1 . . . . . 8 ALA CB . 51796 1 11 . 1 . 1 8 8 ALA N N 15 124.019 0.000 . 1 . . . . . 8 ALA N . 51796 1 12 . 1 . 1 9 9 ILE H H 1 8.050 0.000 . 1 . . . . . 9 ILE H . 51796 1 13 . 1 . 1 9 9 ILE C C 13 177.959 0.000 . 1 . . . . . 9 ILE C . 51796 1 14 . 1 . 1 9 9 ILE CA C 13 63.924 0.000 . 1 . . . . . 9 ILE CA . 51796 1 15 . 1 . 1 9 9 ILE CB C 13 36.094 0.000 . 1 . . . . . 9 ILE CB . 51796 1 16 . 1 . 1 9 9 ILE N N 15 117.900 0.000 . 1 . . . . . 9 ILE N . 51796 1 17 . 1 . 1 10 10 GLY H H 1 8.078 0.000 . 1 . . . . . 10 GLY H . 51796 1 18 . 1 . 1 10 10 GLY C C 13 176.628 0.000 . 1 . . . . . 10 GLY C . 51796 1 19 . 1 . 1 10 10 GLY CA C 13 47.013 0.000 . 1 . . . . . 10 GLY CA . 51796 1 20 . 1 . 1 10 10 GLY N N 15 106.546 0.000 . 1 . . . . . 10 GLY N . 51796 1 21 . 1 . 1 11 11 LEU H H 1 7.733 0.000 . 1 . . . . . 11 LEU H . 51796 1 22 . 1 . 1 11 11 LEU C C 13 178.545 0.000 . 1 . . . . . 11 LEU C . 51796 1 23 . 1 . 1 11 11 LEU CA C 13 57.998 0.000 . 1 . . . . . 11 LEU CA . 51796 1 24 . 1 . 1 11 11 LEU CB C 13 41.620 0.000 . 1 . . . . . 11 LEU CB . 51796 1 25 . 1 . 1 11 11 LEU N N 15 124.970 0.000 . 1 . . . . . 11 LEU N . 51796 1 26 . 1 . 1 12 12 LEU H H 1 7.805 0.000 . 1 . . . . . 12 LEU H . 51796 1 27 . 1 . 1 12 12 LEU C C 13 181.048 0.000 . 1 . . . . . 12 LEU C . 51796 1 28 . 1 . 1 12 12 LEU CA C 13 58.464 0.000 . 1 . . . . . 12 LEU CA . 51796 1 29 . 1 . 1 12 12 LEU CB C 13 40.821 0.000 . 1 . . . . . 12 LEU CB . 51796 1 30 . 1 . 1 12 12 LEU N N 15 118.885 0.000 . 1 . . . . . 12 LEU N . 51796 1 31 . 1 . 1 13 13 VAL H H 1 8.220 0.000 . 1 . . . . . 13 VAL H . 51796 1 32 . 1 . 1 13 13 VAL C C 13 177.014 0.000 . 1 . . . . . 13 VAL C . 51796 1 33 . 1 . 1 13 13 VAL CA C 13 67.186 0.000 . 1 . . . . . 13 VAL CA . 51796 1 34 . 1 . 1 13 13 VAL CB C 13 32.166 0.000 . 1 . . . . . 13 VAL CB . 51796 1 35 . 1 . 1 13 13 VAL N N 15 121.648 0.000 . 1 . . . . . 13 VAL N . 51796 1 36 . 1 . 1 14 14 ALA H H 1 8.376 0.000 . 1 . . . . . 14 ALA H . 51796 1 37 . 1 . 1 14 14 ALA C C 13 181.741 0.000 . 1 . . . . . 14 ALA C . 51796 1 38 . 1 . 1 14 14 ALA CA C 13 55.468 0.000 . 1 . . . . . 14 ALA CA . 51796 1 39 . 1 . 1 14 14 ALA CB C 13 18.117 0.000 . 1 . . . . . 14 ALA CB . 51796 1 40 . 1 . 1 14 14 ALA N N 15 123.467 0.000 . 1 . . . . . 14 ALA N . 51796 1 41 . 1 . 1 15 15 ILE H H 1 8.428 0.000 . 1 . . . . . 15 ILE H . 51796 1 42 . 1 . 1 15 15 ILE C C 13 176.508 0.000 . 1 . . . . . 15 ILE C . 51796 1 43 . 1 . 1 15 15 ILE CA C 13 65.389 0.000 . 1 . . . . . 15 ILE CA . 51796 1 44 . 1 . 1 15 15 ILE CB C 13 37.359 0.000 . 1 . . . . . 15 ILE CB . 51796 1 45 . 1 . 1 15 15 ILE N N 15 119.337 0.000 . 1 . . . . . 15 ILE N . 51796 1 46 . 1 . 1 16 16 PHE H H 1 6.928 0.000 . 1 . . . . . 16 PHE H . 51796 1 47 . 1 . 1 16 16 PHE C C 13 177.187 0.000 . 1 . . . . . 16 PHE C . 51796 1 48 . 1 . 1 16 16 PHE CA C 13 62.792 0.000 . 1 . . . . . 16 PHE CA . 51796 1 49 . 1 . 1 16 16 PHE CB C 13 38.757 0.000 . 1 . . . . . 16 PHE CB . 51796 1 50 . 1 . 1 16 16 PHE N N 15 119.456 0.000 . 1 . . . . . 16 PHE N . 51796 1 51 . 1 . 1 17 17 HIS H H 1 7.331 0.000 . 1 . . . . . 17 HIS H . 51796 1 52 . 1 . 1 17 17 HIS C C 13 177.347 0.000 . 1 . . . . . 17 HIS C . 51796 1 53 . 1 . 1 17 17 HIS CA C 13 58.065 0.000 . 1 . . . . . 17 HIS CA . 51796 1 54 . 1 . 1 17 17 HIS CB C 13 30.701 0.000 . 1 . . . . . 17 HIS CB . 51796 1 55 . 1 . 1 17 17 HIS N N 15 116.515 0.000 . 1 . . . . . 17 HIS N . 51796 1 56 . 1 . 1 18 18 LYS H H 1 8.007 0.000 . 1 . . . . . 18 LYS H . 51796 1 57 . 1 . 1 18 18 LYS C C 13 177.414 0.000 . 1 . . . . . 18 LYS C . 51796 1 58 . 1 . 1 18 18 LYS CA C 13 58.731 0.000 . 1 . . . . . 18 LYS CA . 51796 1 59 . 1 . 1 18 18 LYS CB C 13 32.432 0.000 . 1 . . . . . 18 LYS CB . 51796 1 60 . 1 . 1 18 18 LYS N N 15 123.055 0.000 . 1 . . . . . 18 LYS N . 51796 1 61 . 1 . 1 19 19 TYR H H 1 6.868 0.000 . 1 . . . . . 19 TYR H . 51796 1 62 . 1 . 1 19 19 TYR C C 13 175.976 0.000 . 1 . . . . . 19 TYR C . 51796 1 63 . 1 . 1 19 19 TYR CA C 13 60.062 0.000 . 1 . . . . . 19 TYR CA . 51796 1 64 . 1 . 1 19 19 TYR CB C 13 40.488 0.000 . 1 . . . . . 19 TYR CB . 51796 1 65 . 1 . 1 19 19 TYR N N 15 115.031 0.000 . 1 . . . . . 19 TYR N . 51796 1 66 . 1 . 1 20 20 SER C C 13 177.294 0.000 . 1 . . . . . 20 SER C . 51796 1 67 . 1 . 1 20 20 SER CA C 13 61.660 0.000 . 1 . . . . . 20 SER CA . 51796 1 68 . 1 . 1 21 21 GLY H H 1 7.643 0.000 . 1 . . . . . 21 GLY H . 51796 1 69 . 1 . 1 21 21 GLY C C 13 173.699 0.000 . 1 . . . . . 21 GLY C . 51796 1 70 . 1 . 1 21 21 GLY CA C 13 45.548 0.000 . 1 . . . . . 21 GLY CA . 51796 1 71 . 1 . 1 21 21 GLY N N 15 111.944 0.000 . 1 . . . . . 21 GLY N . 51796 1 72 . 1 . 1 22 22 ARG H H 1 7.224 0.000 . 1 . . . . . 22 ARG H . 51796 1 73 . 1 . 1 22 22 ARG C C 13 177.081 0.000 . 1 . . . . . 22 ARG C . 51796 1 74 . 1 . 1 22 22 ARG CA C 13 59.596 0.000 . 1 . . . . . 22 ARG CA . 51796 1 75 . 1 . 1 22 22 ARG CB C 13 30.102 0.000 . 1 . . . . . 22 ARG CB . 51796 1 76 . 1 . 1 22 22 ARG N N 15 123.029 0.000 . 1 . . . . . 22 ARG N . 51796 1 77 . 1 . 1 23 23 GLU H H 1 9.482 0.000 . 1 . . . . . 23 GLU H . 51796 1 78 . 1 . 1 23 23 GLU C C 13 175.909 0.000 . 1 . . . . . 23 GLU C . 51796 1 79 . 1 . 1 23 23 GLU CA C 13 54.270 0.000 . 1 . . . . . 23 GLU CA . 51796 1 80 . 1 . 1 23 23 GLU CB C 13 32.831 0.000 . 1 . . . . . 23 GLU CB . 51796 1 81 . 1 . 1 23 23 GLU N N 15 117.076 0.000 . 1 . . . . . 23 GLU N . 51796 1 82 . 1 . 1 24 24 GLY C C 13 173.353 0.000 . 1 . . . . . 24 GLY C . 51796 1 83 . 1 . 1 24 24 GLY CA C 13 45.718 0.000 . 1 . . . . . 24 GLY CA . 51796 1 84 . 1 . 1 25 25 ASP H H 1 8.133 0.000 . 1 . . . . . 25 ASP H . 51796 1 85 . 1 . 1 25 25 ASP C C 13 179.624 0.000 . 1 . . . . . 25 ASP C . 51796 1 86 . 1 . 1 25 25 ASP CA C 13 55.103 0.000 . 1 . . . . . 25 ASP CA . 51796 1 87 . 1 . 1 25 25 ASP CB C 13 41.460 0.000 . 1 . . . . . 25 ASP CB . 51796 1 88 . 1 . 1 25 25 ASP N N 15 126.653 0.000 . 1 . . . . . 25 ASP N . 51796 1 89 . 1 . 1 26 26 LYS C C 13 176.761 0.000 . 1 . . . . . 26 LYS C . 51796 1 90 . 1 . 1 26 26 LYS CA C 13 57.998 0.000 . 1 . . . . . 26 LYS CA . 51796 1 91 . 1 . 1 26 26 LYS CB C 13 30.634 0.000 . 1 . . . . . 26 LYS CB . 51796 1 92 . 1 . 1 27 27 HIS H H 1 9.611 0.000 . 1 . . . . . 27 HIS H . 51796 1 93 . 1 . 1 27 27 HIS C C 13 174.178 0.000 . 1 . . . . . 27 HIS C . 51796 1 94 . 1 . 1 27 27 HIS CA C 13 55.602 0.000 . 1 . . . . . 27 HIS CA . 51796 1 95 . 1 . 1 27 27 HIS CB C 13 31.167 0.000 . 1 . . . . . 27 HIS CB . 51796 1 96 . 1 . 1 27 27 HIS N N 15 119.349 0.000 . 1 . . . . . 27 HIS N . 51796 1 97 . 1 . 1 28 28 THR H H 1 7.208 0.000 . 1 . . . . . 28 THR H . 51796 1 98 . 1 . 1 28 28 THR C C 13 173.047 0.000 . 1 . . . . . 28 THR C . 51796 1 99 . 1 . 1 28 28 THR CA C 13 60.129 0.000 . 1 . . . . . 28 THR CA . 51796 1 100 . 1 . 1 28 28 THR CB C 13 72.446 0.000 . 1 . . . . . 28 THR CB . 51796 1 101 . 1 . 1 28 28 THR N N 15 107.820 0.000 . 1 . . . . . 28 THR N . 51796 1 102 . 1 . 1 29 29 LEU H H 1 9.304 0.000 . 1 . . . . . 29 LEU H . 51796 1 103 . 1 . 1 29 29 LEU C C 13 176.388 0.000 . 1 . . . . . 29 LEU C . 51796 1 104 . 1 . 1 29 29 LEU CA C 13 52.472 0.000 . 1 . . . . . 29 LEU CA . 51796 1 105 . 1 . 1 29 29 LEU CB C 13 43.684 0.000 . 1 . . . . . 29 LEU CB . 51796 1 106 . 1 . 1 29 29 LEU N N 15 125.851 0.000 . 1 . . . . . 29 LEU N . 51796 1 107 . 1 . 1 30 30 SER H H 1 10.306 0.000 . 1 . . . . . 30 SER H . 51796 1 108 . 1 . 1 30 30 SER C C 13 174.165 0.000 . 1 . . . . . 30 SER C . 51796 1 109 . 1 . 1 30 30 SER CA C 13 56.600 0.000 . 1 . . . . . 30 SER CA . 51796 1 110 . 1 . 1 30 30 SER CB C 13 65.256 0.000 . 1 . . . . . 30 SER CB . 51796 1 111 . 1 . 1 30 30 SER N N 15 125.537 0.000 . 1 . . . . . 30 SER N . 51796 1 112 . 1 . 1 31 31 LYS H H 1 8.636 0.000 . 1 . . . . . 31 LYS H . 51796 1 113 . 1 . 1 31 31 LYS C C 13 178.825 0.000 . 1 . . . . . 31 LYS C . 51796 1 114 . 1 . 1 31 31 LYS CA C 13 59.663 0.000 . 1 . . . . . 31 LYS CA . 51796 1 115 . 1 . 1 31 31 LYS CB C 13 31.766 0.000 . 1 . . . . . 31 LYS CB . 51796 1 116 . 1 . 1 31 31 LYS N N 15 120.553 0.000 . 1 . . . . . 31 LYS N . 51796 1 117 . 1 . 1 32 32 LYS H H 1 7.805 0.000 . 1 . . . . . 32 LYS H . 51796 1 118 . 1 . 1 32 32 LYS C C 13 179.504 0.000 . 1 . . . . . 32 LYS C . 51796 1 119 . 1 . 1 32 32 LYS CA C 13 59.663 0.000 . 1 . . . . . 32 LYS CA . 51796 1 120 . 1 . 1 32 32 LYS CB C 13 32.898 0.000 . 1 . . . . . 32 LYS CB . 51796 1 121 . 1 . 1 32 32 LYS N N 15 119.379 0.000 . 1 . . . . . 32 LYS N . 51796 1 122 . 1 . 1 33 33 GLU H H 1 7.436 0.000 . 1 . . . . . 33 GLU H . 51796 1 123 . 1 . 1 33 33 GLU C C 13 177.800 0.000 . 1 . . . . . 33 GLU C . 51796 1 124 . 1 . 1 33 33 GLU CA C 13 58.930 0.000 . 1 . . . . . 33 GLU CA . 51796 1 125 . 1 . 1 33 33 GLU CB C 13 30.967 0.000 . 1 . . . . . 33 GLU CB . 51796 1 126 . 1 . 1 33 33 GLU N N 15 120.972 0.000 . 1 . . . . . 33 GLU N . 51796 1 127 . 1 . 1 34 34 LEU H H 1 8.690 0.000 . 1 . . . . . 34 LEU H . 51796 1 128 . 1 . 1 34 34 LEU C C 13 176.988 0.000 . 1 . . . . . 34 LEU C . 51796 1 129 . 1 . 1 34 34 LEU CA C 13 56.867 0.000 . 1 . . . . . 34 LEU CA . 51796 1 130 . 1 . 1 34 34 LEU CB C 13 41.354 0.000 . 1 . . . . . 34 LEU CB . 51796 1 131 . 1 . 1 34 34 LEU N N 15 118.336 0.000 . 1 . . . . . 34 LEU N . 51796 1 132 . 1 . 1 35 35 LYS H H 1 7.823 0.000 . 1 . . . . . 35 LYS H . 51796 1 133 . 1 . 1 35 35 LYS C C 13 177.307 0.000 . 1 . . . . . 35 LYS C . 51796 1 134 . 1 . 1 35 35 LYS CA C 13 60.528 0.000 . 1 . . . . . 35 LYS CA . 51796 1 135 . 1 . 1 35 35 LYS CB C 13 32.099 0.000 . 1 . . . . . 35 LYS CB . 51796 1 136 . 1 . 1 35 35 LYS N N 15 120.402 0.000 . 1 . . . . . 35 LYS N . 51796 1 137 . 1 . 1 36 36 GLU H H 1 7.094 0.000 . 1 . . . . . 36 GLU H . 51796 1 138 . 1 . 1 36 36 GLU C C 13 176.668 0.000 . 1 . . . . . 36 GLU C . 51796 1 139 . 1 . 1 36 36 GLU CA C 13 59.663 0.000 . 1 . . . . . 36 GLU CA . 51796 1 140 . 1 . 1 36 36 GLU CB C 13 29.103 0.000 . 1 . . . . . 36 GLU CB . 51796 1 141 . 1 . 1 36 36 GLU N N 15 118.236 0.000 . 1 . . . . . 36 GLU N . 51796 1 142 . 1 . 1 37 37 LEU H H 1 7.335 0.000 . 1 . . . . . 37 LEU H . 51796 1 143 . 1 . 1 37 37 LEU C C 13 179.065 0.000 . 1 . . . . . 37 LEU C . 51796 1 144 . 1 . 1 37 37 LEU CA C 13 59.530 0.000 . 1 . . . . . 37 LEU CA . 51796 1 145 . 1 . 1 37 37 LEU CB C 13 42.019 0.000 . 1 . . . . . 37 LEU CB . 51796 1 146 . 1 . 1 37 37 LEU N N 15 122.127 0.000 . 1 . . . . . 37 LEU N . 51796 1 147 . 1 . 1 38 38 ILE H H 1 8.249 0.000 . 1 . . . . . 38 ILE H . 51796 1 148 . 1 . 1 38 38 ILE C C 13 176.961 0.000 . 1 . . . . . 38 ILE C . 51796 1 149 . 1 . 1 38 38 ILE CA C 13 65.256 0.000 . 1 . . . . . 38 ILE CA . 51796 1 150 . 1 . 1 38 38 ILE CB C 13 37.891 0.000 . 1 . . . . . 38 ILE CB . 51796 1 151 . 1 . 1 38 38 ILE N N 15 119.529 0.000 . 1 . . . . . 38 ILE N . 51796 1 152 . 1 . 1 39 39 GLN H H 1 8.108 0.000 . 1 . . . . . 39 GLN H . 51796 1 153 . 1 . 1 39 39 GLN C C 13 178.705 0.000 . 1 . . . . . 39 GLN C . 51796 1 154 . 1 . 1 39 39 GLN CA C 13 59.663 0.000 . 1 . . . . . 39 GLN CA . 51796 1 155 . 1 . 1 39 39 GLN CB C 13 29.036 0.000 . 1 . . . . . 39 GLN CB . 51796 1 156 . 1 . 1 39 39 GLN N N 15 113.690 0.000 . 1 . . . . . 39 GLN N . 51796 1 157 . 1 . 1 40 40 LYS H H 1 8.140 0.000 . 1 . . . . . 40 LYS H . 51796 1 158 . 1 . 1 40 40 LYS C C 13 178.718 0.000 . 1 . . . . . 40 LYS C . 51796 1 159 . 1 . 1 40 40 LYS CA C 13 57.266 0.000 . 1 . . . . . 40 LYS CA . 51796 1 160 . 1 . 1 40 40 LYS CB C 13 34.096 0.000 . 1 . . . . . 40 LYS CB . 51796 1 161 . 1 . 1 40 40 LYS N N 15 116.362 0.000 . 1 . . . . . 40 LYS N . 51796 1 162 . 1 . 1 41 41 GLU H H 1 8.385 0.000 . 1 . . . . . 41 GLU H . 51796 1 163 . 1 . 1 41 41 GLU C C 13 175.470 0.000 . 1 . . . . . 41 GLU C . 51796 1 164 . 1 . 1 41 41 GLU CA C 13 55.535 0.000 . 1 . . . . . 41 GLU CA . 51796 1 165 . 1 . 1 41 41 GLU CB C 13 29.236 0.000 . 1 . . . . . 41 GLU CB . 51796 1 166 . 1 . 1 41 41 GLU N N 15 113.944 0.000 . 1 . . . . . 41 GLU N . 51796 1 167 . 1 . 1 42 42 LEU H H 1 7.061 0.000 . 1 . . . . . 42 LEU H . 51796 1 168 . 1 . 1 42 42 LEU C C 13 178.452 0.000 . 1 . . . . . 42 LEU C . 51796 1 169 . 1 . 1 42 42 LEU CA C 13 52.805 0.000 . 1 . . . . . 42 LEU CA . 51796 1 170 . 1 . 1 42 42 LEU CB C 13 45.082 0.000 . 1 . . . . . 42 LEU CB . 51796 1 171 . 1 . 1 42 42 LEU N N 15 118.218 0.000 . 1 . . . . . 42 LEU N . 51796 1 172 . 1 . 1 44 44 ILE C C 13 177.320 0.000 . 1 . . . . . 44 ILE C . 51796 1 173 . 1 . 1 44 44 ILE CA C 13 62.992 0.000 . 1 . . . . . 44 ILE CA . 51796 1 174 . 1 . 1 44 44 ILE CB C 13 38.491 0.000 . 1 . . . . . 44 ILE CB . 51796 1 175 . 1 . 1 45 45 GLY H H 1 7.762 0.000 . 1 . . . . . 45 GLY H . 51796 1 176 . 1 . 1 45 45 GLY C C 13 175.297 0.000 . 1 . . . . . 45 GLY C . 51796 1 177 . 1 . 1 45 45 GLY CA C 13 47.479 0.000 . 1 . . . . . 45 GLY CA . 51796 1 178 . 1 . 1 45 45 GLY N N 15 109.193 0.000 . 1 . . . . . 45 GLY N . 51796 1 179 . 1 . 1 46 46 SER H H 1 7.707 0.000 . 1 . . . . . 46 SER H . 51796 1 180 . 1 . 1 46 46 SER C C 13 174.764 0.000 . 1 . . . . . 46 SER C . 51796 1 181 . 1 . 1 46 46 SER CA C 13 59.796 0.000 . 1 . . . . . 46 SER CA . 51796 1 182 . 1 . 1 46 46 SER CB C 13 63.192 0.000 . 1 . . . . . 46 SER CB . 51796 1 183 . 1 . 1 46 46 SER N N 15 114.065 0.000 . 1 . . . . . 46 SER N . 51796 1 184 . 1 . 1 47 47 LYS H H 1 7.568 0.000 . 1 . . . . . 47 LYS H . 51796 1 185 . 1 . 1 47 47 LYS C C 13 176.948 0.000 . 1 . . . . . 47 LYS C . 51796 1 186 . 1 . 1 47 47 LYS CA C 13 55.735 0.000 . 1 . . . . . 47 LYS CA . 51796 1 187 . 1 . 1 47 47 LYS CB C 13 33.267 0.000 . 1 . . . . . 47 LYS CB . 51796 1 188 . 1 . 1 47 47 LYS N N 15 120.479 0.000 . 1 . . . . . 47 LYS N . 51796 1 189 . 1 . 1 48 48 LEU H H 1 6.967 0.000 . 1 . . . . . 48 LEU H . 51796 1 190 . 1 . 1 48 48 LEU C C 13 177.054 0.000 . 1 . . . . . 48 LEU C . 51796 1 191 . 1 . 1 48 48 LEU CA C 13 54.803 0.000 . 1 . . . . . 48 LEU CA . 51796 1 192 . 1 . 1 48 48 LEU CB C 13 43.218 0.000 . 1 . . . . . 48 LEU CB . 51796 1 193 . 1 . 1 48 48 LEU N N 15 120.352 0.000 . 1 . . . . . 48 LEU N . 51796 1 194 . 1 . 1 49 49 GLN H H 1 9.097 0.000 . 1 . . . . . 49 GLN H . 51796 1 195 . 1 . 1 49 49 GLN C C 13 177.520 0.000 . 1 . . . . . 49 GLN C . 51796 1 196 . 1 . 1 49 49 GLN CA C 13 54.603 0.000 . 1 . . . . . 49 GLN CA . 51796 1 197 . 1 . 1 49 49 GLN CB C 13 29.436 0.000 . 1 . . . . . 49 GLN CB . 51796 1 198 . 1 . 1 49 49 GLN N N 15 121.797 0.000 . 1 . . . . . 49 GLN N . 51796 1 199 . 1 . 1 51 51 ALA C C 13 180.556 0.000 . 1 . . . . . 51 ALA C . 51796 1 200 . 1 . 1 51 51 ALA CA C 13 55.202 0.000 . 1 . . . . . 51 ALA CA . 51796 1 201 . 1 . 1 51 51 ALA CB C 13 18.117 0.000 . 1 . . . . . 51 ALA CB . 51796 1 202 . 1 . 1 52 52 GLU H H 1 7.076 0.000 . 1 . . . . . 52 GLU H . 51796 1 203 . 1 . 1 52 52 GLU C C 13 179.664 0.000 . 1 . . . . . 52 GLU C . 51796 1 204 . 1 . 1 52 52 GLU CA C 13 58.797 0.000 . 1 . . . . . 52 GLU CA . 51796 1 205 . 1 . 1 52 52 GLU CB C 13 30.301 0.000 . 1 . . . . . 52 GLU CB . 51796 1 206 . 1 . 1 52 52 GLU N N 15 117.819 0.000 . 1 . . . . . 52 GLU N . 51796 1 207 . 1 . 1 53 53 ILE H H 1 8.059 0.000 . 1 . . . . . 53 ILE H . 51796 1 208 . 1 . 1 53 53 ILE C C 13 177.028 0.000 . 1 . . . . . 53 ILE C . 51796 1 209 . 1 . 1 53 53 ILE CA C 13 65.322 0.000 . 1 . . . . . 53 ILE CA . 51796 1 210 . 1 . 1 53 53 ILE CB C 13 37.292 0.000 . 1 . . . . . 53 ILE CB . 51796 1 211 . 1 . 1 53 53 ILE N N 15 122.035 0.000 . 1 . . . . . 53 ILE N . 51796 1 212 . 1 . 1 54 54 ALA H H 1 8.042 0.000 . 1 . . . . . 54 ALA H . 51796 1 213 . 1 . 1 54 54 ALA C C 13 180.236 0.000 . 1 . . . . . 54 ALA C . 51796 1 214 . 1 . 1 54 54 ALA CA C 13 55.602 0.000 . 1 . . . . . 54 ALA CA . 51796 1 215 . 1 . 1 54 54 ALA CB C 13 17.585 0.000 . 1 . . . . . 54 ALA CB . 51796 1 216 . 1 . 1 54 54 ALA N N 15 122.928 0.000 . 1 . . . . . 54 ALA N . 51796 1 217 . 1 . 1 55 55 ARG H H 1 7.275 0.000 . 1 . . . . . 55 ARG H . 51796 1 218 . 1 . 1 55 55 ARG C C 13 177.786 0.000 . 1 . . . . . 55 ARG C . 51796 1 219 . 1 . 1 55 55 ARG CA C 13 58.930 0.000 . 1 . . . . . 55 ARG CA . 51796 1 220 . 1 . 1 55 55 ARG CB C 13 29.769 0.000 . 1 . . . . . 55 ARG CB . 51796 1 221 . 1 . 1 55 55 ARG N N 15 119.041 0.000 . 1 . . . . . 55 ARG N . 51796 1 222 . 1 . 1 56 56 LEU H H 1 7.555 0.000 . 1 . . . . . 56 LEU H . 51796 1 223 . 1 . 1 56 56 LEU C C 13 178.479 0.000 . 1 . . . . . 56 LEU C . 51796 1 224 . 1 . 1 56 56 LEU CA C 13 57.998 0.000 . 1 . . . . . 56 LEU CA . 51796 1 225 . 1 . 1 56 56 LEU CB C 13 41.820 0.000 . 1 . . . . . 56 LEU CB . 51796 1 226 . 1 . 1 56 56 LEU N N 15 121.868 0.000 . 1 . . . . . 56 LEU N . 51796 1 227 . 1 . 1 57 57 MET H H 1 8.243 0.000 . 1 . . . . . 57 MET H . 51796 1 228 . 1 . 1 57 57 MET C C 13 178.266 0.000 . 1 . . . . . 57 MET C . 51796 1 229 . 1 . 1 57 57 MET CA C 13 60.462 0.000 . 1 . . . . . 57 MET CA . 51796 1 230 . 1 . 1 57 57 MET CB C 13 33.031 0.000 . 1 . . . . . 57 MET CB . 51796 1 231 . 1 . 1 57 57 MET N N 15 115.874 0.000 . 1 . . . . . 57 MET N . 51796 1 232 . 1 . 1 58 58 GLU H H 1 7.465 0.000 . 1 . . . . . 58 GLU H . 51796 1 233 . 1 . 1 58 58 GLU C C 13 178.266 0.000 . 1 . . . . . 58 GLU C . 51796 1 234 . 1 . 1 58 58 GLU CA C 13 59.130 0.000 . 1 . . . . . 58 GLU CA . 51796 1 235 . 1 . 1 58 58 GLU CB C 13 29.303 0.000 . 1 . . . . . 58 GLU CB . 51796 1 236 . 1 . 1 58 58 GLU N N 15 119.084 0.000 . 1 . . . . . 58 GLU N . 51796 1 237 . 1 . 1 59 59 ASP H H 1 7.666 0.000 . 1 . . . . . 59 ASP H . 51796 1 238 . 1 . 1 59 59 ASP C C 13 178.585 0.000 . 1 . . . . . 59 ASP C . 51796 1 239 . 1 . 1 59 59 ASP CA C 13 56.534 0.000 . 1 . . . . . 59 ASP CA . 51796 1 240 . 1 . 1 59 59 ASP CB C 13 40.355 0.000 . 1 . . . . . 59 ASP CB . 51796 1 241 . 1 . 1 59 59 ASP N N 15 119.178 0.000 . 1 . . . . . 59 ASP N . 51796 1 242 . 1 . 1 60 60 LEU H H 1 7.564 0.000 . 1 . . . . . 60 LEU H . 51796 1 243 . 1 . 1 60 60 LEU C C 13 178.199 0.000 . 1 . . . . . 60 LEU C . 51796 1 244 . 1 . 1 60 60 LEU CA C 13 56.534 0.000 . 1 . . . . . 60 LEU CA . 51796 1 245 . 1 . 1 60 60 LEU CB C 13 42.885 0.000 . 1 . . . . . 60 LEU CB . 51796 1 246 . 1 . 1 60 60 LEU N N 15 117.704 0.000 . 1 . . . . . 60 LEU N . 51796 1 247 . 1 . 1 61 61 ASP H H 1 7.096 0.000 . 1 . . . . . 61 ASP H . 51796 1 248 . 1 . 1 61 61 ASP C C 13 176.548 0.000 . 1 . . . . . 61 ASP C . 51796 1 249 . 1 . 1 61 61 ASP CA C 13 52.406 0.000 . 1 . . . . . 61 ASP CA . 51796 1 250 . 1 . 1 61 61 ASP CB C 13 38.890 0.000 . 1 . . . . . 61 ASP CB . 51796 1 251 . 1 . 1 61 61 ASP N N 15 117.829 0.000 . 1 . . . . . 61 ASP N . 51796 1 252 . 1 . 1 62 62 ARG H H 1 7.638 0.000 . 1 . . . . . 62 ARG H . 51796 1 253 . 1 . 1 62 62 ARG C C 13 177.440 0.000 . 1 . . . . . 62 ARG C . 51796 1 254 . 1 . 1 62 62 ARG CA C 13 58.198 0.000 . 1 . . . . . 62 ARG CA . 51796 1 255 . 1 . 1 62 62 ARG CB C 13 30.102 0.000 . 1 . . . . . 62 ARG CB . 51796 1 256 . 1 . 1 62 62 ARG N N 15 126.609 0.000 . 1 . . . . . 62 ARG N . 51796 1 257 . 1 . 1 63 63 ASN H H 1 7.807 0.000 . 1 . . . . . 63 ASN H . 51796 1 258 . 1 . 1 63 63 ASN C C 13 174.445 0.000 . 1 . . . . . 63 ASN C . 51796 1 259 . 1 . 1 63 63 ASN CA C 13 51.806 0.000 . 1 . . . . . 63 ASN CA . 51796 1 260 . 1 . 1 63 63 ASN CB C 13 36.626 0.000 . 1 . . . . . 63 ASN CB . 51796 1 261 . 1 . 1 63 63 ASN N N 15 113.409 0.000 . 1 . . . . . 63 ASN N . 51796 1 262 . 1 . 1 64 64 LYS H H 1 7.375 0.000 . 1 . . . . . 64 LYS H . 51796 1 263 . 1 . 1 64 64 LYS C C 13 175.776 0.000 . 1 . . . . . 64 LYS C . 51796 1 264 . 1 . 1 64 64 LYS CA C 13 56.400 0.000 . 1 . . . . . 64 LYS CA . 51796 1 265 . 1 . 1 64 64 LYS CB C 13 28.171 0.000 . 1 . . . . . 64 LYS CB . 51796 1 266 . 1 . 1 64 64 LYS N N 15 115.241 0.000 . 1 . . . . . 64 LYS N . 51796 1 267 . 1 . 1 65 65 ASP H H 1 8.172 0.000 . 1 . . . . . 65 ASP H . 51796 1 268 . 1 . 1 65 65 ASP C C 13 176.828 0.000 . 1 . . . . . 65 ASP C . 51796 1 269 . 1 . 1 65 65 ASP CA C 13 52.872 0.000 . 1 . . . . . 65 ASP CA . 51796 1 270 . 1 . 1 65 65 ASP CB C 13 40.355 0.000 . 1 . . . . . 65 ASP CB . 51796 1 271 . 1 . 1 65 65 ASP N N 15 119.510 0.000 . 1 . . . . . 65 ASP N . 51796 1 272 . 1 . 1 66 66 GLN H H 1 9.862 0.000 . 1 . . . . . 66 GLN H . 51796 1 273 . 1 . 1 66 66 GLN C C 13 174.604 0.000 . 1 . . . . . 66 GLN C . 51796 1 274 . 1 . 1 66 66 GLN CA C 13 57.932 0.000 . 1 . . . . . 66 GLN CA . 51796 1 275 . 1 . 1 66 66 GLN CB C 13 25.974 0.000 . 1 . . . . . 66 GLN CB . 51796 1 276 . 1 . 1 66 66 GLN N N 15 114.093 0.000 . 1 . . . . . 66 GLN N . 51796 1 277 . 1 . 1 67 67 GLU H H 1 7.759 0.000 . 1 . . . . . 67 GLU H . 51796 1 278 . 1 . 1 67 67 GLU C C 13 175.616 0.000 . 1 . . . . . 67 GLU C . 51796 1 279 . 1 . 1 67 67 GLU CA C 13 54.070 0.000 . 1 . . . . . 67 GLU CA . 51796 1 280 . 1 . 1 67 67 GLU CB C 13 33.098 0.000 . 1 . . . . . 67 GLU CB . 51796 1 281 . 1 . 1 67 67 GLU N N 15 119.702 0.000 . 1 . . . . . 67 GLU N . 51796 1 282 . 1 . 1 68 68 VAL H H 1 9.509 0.000 . 1 . . . . . 68 VAL H . 51796 1 283 . 1 . 1 68 68 VAL C C 13 175.962 0.000 . 1 . . . . . 68 VAL C . 51796 1 284 . 1 . 1 68 68 VAL CA C 13 60.961 0.000 . 1 . . . . . 68 VAL CA . 51796 1 285 . 1 . 1 68 68 VAL CB C 13 33.098 0.000 . 1 . . . . . 68 VAL CB . 51796 1 286 . 1 . 1 68 68 VAL N N 15 127.300 0.000 . 1 . . . . . 68 VAL N . 51796 1 287 . 1 . 1 69 69 ASN H H 1 8.838 0.000 . 1 . . . . . 69 ASN H . 51796 1 288 . 1 . 1 69 69 ASN C C 13 174.085 0.000 . 1 . . . . . 69 ASN C . 51796 1 289 . 1 . 1 69 69 ASN CA C 13 50.741 0.000 . 1 . . . . . 69 ASN CA . 51796 1 290 . 1 . 1 69 69 ASN CB C 13 38.458 0.000 . 1 . . . . . 69 ASN CB . 51796 1 291 . 1 . 1 69 69 ASN N N 15 128.215 0.000 . 1 . . . . . 69 ASN N . 51796 1 292 . 1 . 1 70 70 PHE H H 1 9.071 0.000 . 1 . . . . . 70 PHE H . 51796 1 293 . 1 . 1 70 70 PHE C C 13 176.708 0.000 . 1 . . . . . 70 PHE C . 51796 1 294 . 1 . 1 70 70 PHE CA C 13 63.192 0.000 . 1 . . . . . 70 PHE CA . 51796 1 295 . 1 . 1 70 70 PHE CB C 13 38.557 0.000 . 1 . . . . . 70 PHE CB . 51796 1 296 . 1 . 1 70 70 PHE N N 15 120.765 0.000 . 1 . . . . . 70 PHE N . 51796 1 297 . 1 . 1 71 71 GLN H H 1 8.288 0.000 . 1 . . . . . 71 GLN H . 51796 1 298 . 1 . 1 71 71 GLN C C 13 179.184 0.000 . 1 . . . . . 71 GLN C . 51796 1 299 . 1 . 1 71 71 GLN CA C 13 60.062 0.000 . 1 . . . . . 71 GLN CA . 51796 1 300 . 1 . 1 71 71 GLN CB C 13 27.904 0.000 . 1 . . . . . 71 GLN CB . 51796 1 301 . 1 . 1 71 71 GLN N N 15 118.814 0.000 . 1 . . . . . 71 GLN N . 51796 1 302 . 1 . 1 72 72 GLU H H 1 8.542 0.000 . 1 . . . . . 72 GLU H . 51796 1 303 . 1 . 1 72 72 GLU C C 13 179.664 0.000 . 1 . . . . . 72 GLU C . 51796 1 304 . 1 . 1 72 72 GLU CA C 13 58.997 0.000 . 1 . . . . . 72 GLU CA . 51796 1 305 . 1 . 1 72 72 GLU CB C 13 30.035 0.000 . 1 . . . . . 72 GLU CB . 51796 1 306 . 1 . 1 72 72 GLU N N 15 121.349 0.000 . 1 . . . . . 72 GLU N . 51796 1 307 . 1 . 1 73 73 TYR H H 1 8.411 0.000 . 1 . . . . . 73 TYR H . 51796 1 308 . 1 . 1 73 73 TYR C C 13 176.242 0.000 . 1 . . . . . 73 TYR C . 51796 1 309 . 1 . 1 73 73 TYR CA C 13 60.728 0.000 . 1 . . . . . 73 TYR CA . 51796 1 310 . 1 . 1 73 73 TYR CB C 13 38.624 0.000 . 1 . . . . . 73 TYR CB . 51796 1 311 . 1 . 1 73 73 TYR N N 15 124.398 0.000 . 1 . . . . . 73 TYR N . 51796 1 312 . 1 . 1 74 74 VAL H H 1 8.454 0.000 . 1 . . . . . 74 VAL H . 51796 1 313 . 1 . 1 74 74 VAL C C 13 178.612 0.000 . 1 . . . . . 74 VAL C . 51796 1 314 . 1 . 1 74 74 VAL CA C 13 66.853 0.000 . 1 . . . . . 74 VAL CA . 51796 1 315 . 1 . 1 74 74 VAL CB C 13 30.767 0.000 . 1 . . . . . 74 VAL CB . 51796 1 316 . 1 . 1 74 74 VAL N N 15 121.668 0.000 . 1 . . . . . 74 VAL N . 51796 1 317 . 1 . 1 75 75 THR H H 1 7.797 0.000 . 1 . . . . . 75 THR H . 51796 1 318 . 1 . 1 75 75 THR C C 13 176.548 0.000 . 1 . . . . . 75 THR C . 51796 1 319 . 1 . 1 75 75 THR CA C 13 66.920 0.000 . 1 . . . . . 75 THR CA . 51796 1 320 . 1 . 1 75 75 THR CB C 13 68.451 0.000 . 1 . . . . . 75 THR CB . 51796 1 321 . 1 . 1 75 75 THR N N 15 118.819 0.000 . 1 . . . . . 75 THR N . 51796 1 322 . 1 . 1 76 76 PHE H H 1 7.316 0.000 . 1 . . . . . 76 PHE H . 51796 1 323 . 1 . 1 76 76 PHE C C 13 176.069 0.000 . 1 . . . . . 76 PHE C . 51796 1 324 . 1 . 1 76 76 PHE CA C 13 58.731 0.000 . 1 . . . . . 76 PHE CA . 51796 1 325 . 1 . 1 76 76 PHE CB C 13 38.491 0.000 . 1 . . . . . 76 PHE CB . 51796 1 326 . 1 . 1 76 76 PHE N N 15 124.605 0.000 . 1 . . . . . 76 PHE N . 51796 1 327 . 1 . 1 77 77 LEU H H 1 7.862 0.000 . 1 . . . . . 77 LEU H . 51796 1 328 . 1 . 1 77 77 LEU C C 13 179.344 0.000 . 1 . . . . . 77 LEU C . 51796 1 329 . 1 . 1 77 77 LEU CA C 13 57.532 0.000 . 1 . . . . . 77 LEU CA . 51796 1 330 . 1 . 1 77 77 LEU CB C 13 40.754 0.000 . 1 . . . . . 77 LEU CB . 51796 1 331 . 1 . 1 77 77 LEU N N 15 118.418 0.000 . 1 . . . . . 77 LEU N . 51796 1 332 . 1 . 1 78 78 GLY H H 1 7.953 0.000 . 1 . . . . . 78 GLY H . 51796 1 333 . 1 . 1 78 78 GLY C C 13 175.164 0.000 . 1 . . . . . 78 GLY C . 51796 1 334 . 1 . 1 78 78 GLY CA C 13 47.346 0.000 . 1 . . . . . 78 GLY CA . 51796 1 335 . 1 . 1 78 78 GLY N N 15 105.508 0.000 . 1 . . . . . 78 GLY N . 51796 1 336 . 1 . 1 79 79 ALA H H 1 7.600 0.000 . 1 . . . . . 79 ALA H . 51796 1 337 . 1 . 1 79 79 ALA C C 13 181.221 0.000 . 1 . . . . . 79 ALA C . 51796 1 338 . 1 . 1 79 79 ALA CA C 13 55.135 0.000 . 1 . . . . . 79 ALA CA . 51796 1 339 . 1 . 1 79 79 ALA CB C 13 17.585 0.000 . 1 . . . . . 79 ALA CB . 51796 1 340 . 1 . 1 79 79 ALA N N 15 125.397 0.000 . 1 . . . . . 79 ALA N . 51796 1 341 . 1 . 1 80 80 LEU H H 1 7.986 0.000 . 1 . . . . . 80 LEU H . 51796 1 342 . 1 . 1 80 80 LEU C C 13 179.464 0.000 . 1 . . . . . 80 LEU C . 51796 1 343 . 1 . 1 80 80 LEU CA C 13 57.266 0.000 . 1 . . . . . 80 LEU CA . 51796 1 344 . 1 . 1 80 80 LEU CB C 13 41.553 0.000 . 1 . . . . . 80 LEU CB . 51796 1 345 . 1 . 1 80 80 LEU N N 15 119.120 0.000 . 1 . . . . . 80 LEU N . 51796 1 346 . 1 . 1 81 81 ALA H H 1 8.219 0.000 . 1 . . . . . 81 ALA H . 51796 1 347 . 1 . 1 81 81 ALA C C 13 178.878 0.000 . 1 . . . . . 81 ALA C . 51796 1 348 . 1 . 1 81 81 ALA CA C 13 55.402 0.000 . 1 . . . . . 81 ALA CA . 51796 1 349 . 1 . 1 81 81 ALA CB C 13 16.852 0.000 . 1 . . . . . 81 ALA CB . 51796 1 350 . 1 . 1 81 81 ALA N N 15 122.724 0.000 . 1 . . . . . 81 ALA N . 51796 1 351 . 1 . 1 82 82 LEU H H 1 7.930 0.000 . 1 . . . . . 82 LEU H . 51796 1 352 . 1 . 1 82 82 LEU C C 13 179.650 0.000 . 1 . . . . . 82 LEU C . 51796 1 353 . 1 . 1 82 82 LEU CA C 13 58.731 0.000 . 1 . . . . . 82 LEU CA . 51796 1 354 . 1 . 1 82 82 LEU CB C 13 41.620 0.000 . 1 . . . . . 82 LEU CB . 51796 1 355 . 1 . 1 82 82 LEU N N 15 118.605 0.000 . 1 . . . . . 82 LEU N . 51796 1 356 . 1 . 1 83 83 ILE H H 1 7.626 0.000 . 1 . . . . . 83 ILE H . 51796 1 357 . 1 . 1 83 83 ILE C C 13 178.865 0.000 . 1 . . . . . 83 ILE C . 51796 1 358 . 1 . 1 83 83 ILE CA C 13 64.856 0.000 . 1 . . . . . 83 ILE CA . 51796 1 359 . 1 . 1 83 83 ILE CB C 13 38.158 0.000 . 1 . . . . . 83 ILE CB . 51796 1 360 . 1 . 1 83 83 ILE N N 15 120.897 0.000 . 1 . . . . . 83 ILE N . 51796 1 361 . 1 . 1 84 84 TYR C C 13 178.199 0.000 . 1 . . . . . 84 TYR C . 51796 1 362 . 1 . 1 84 84 TYR CA C 13 60.928 0.000 . 1 . . . . . 84 TYR CA . 51796 1 363 . 1 . 1 84 84 TYR CB C 13 37.692 0.000 . 1 . . . . . 84 TYR CB . 51796 1 364 . 1 . 1 85 85 ASN H H 1 8.309 0.000 . 1 . . . . . 85 ASN H . 51796 1 365 . 1 . 1 85 85 ASN C C 13 177.147 0.000 . 1 . . . . . 85 ASN C . 51796 1 366 . 1 . 1 85 85 ASN CA C 13 56.933 0.000 . 1 . . . . . 85 ASN CA . 51796 1 367 . 1 . 1 85 85 ASN CB C 13 39.556 0.000 . 1 . . . . . 85 ASN CB . 51796 1 368 . 1 . 1 85 85 ASN N N 15 117.879 0.000 . 1 . . . . . 85 ASN N . 51796 1 369 . 1 . 1 86 86 GLU H H 1 7.760 0.000 . 1 . . . . . 86 GLU H . 51796 1 370 . 1 . 1 86 86 GLU C C 13 178.212 0.000 . 1 . . . . . 86 GLU C . 51796 1 371 . 1 . 1 86 86 GLU CA C 13 58.531 0.000 . 1 . . . . . 86 GLU CA . 51796 1 372 . 1 . 1 86 86 GLU CB C 13 29.103 0.000 . 1 . . . . . 86 GLU CB . 51796 1 373 . 1 . 1 86 86 GLU N N 15 118.464 0.000 . 1 . . . . . 86 GLU N . 51796 1 374 . 1 . 1 87 87 ALA H H 1 7.421 0.000 . 1 . . . . . 87 ALA H . 51796 1 375 . 1 . 1 87 87 ALA C C 13 178.678 0.000 . 1 . . . . . 87 ALA C . 51796 1 376 . 1 . 1 87 87 ALA CA C 13 53.471 0.000 . 1 . . . . . 87 ALA CA . 51796 1 377 . 1 . 1 87 87 ALA CB C 13 18.051 0.000 . 1 . . . . . 87 ALA CB . 51796 1 378 . 1 . 1 87 87 ALA N N 15 121.031 0.000 . 1 . . . . . 87 ALA N . 51796 1 379 . 1 . 1 88 88 LEU H H 1 7.213 0.000 . 1 . . . . . 88 LEU H . 51796 1 380 . 1 . 1 88 88 LEU C C 13 177.587 0.000 . 1 . . . . . 88 LEU C . 51796 1 381 . 1 . 1 88 88 LEU CA C 13 55.535 0.000 . 1 . . . . . 88 LEU CA . 51796 1 382 . 1 . 1 88 88 LEU CB C 13 41.886 0.000 . 1 . . . . . 88 LEU CB . 51796 1 383 . 1 . 1 88 88 LEU N N 15 119.094 0.000 . 1 . . . . . 88 LEU N . 51796 1 384 . 1 . 1 89 89 LYS H H 1 7.458 0.000 . 1 . . . . . 89 LYS H . 51796 1 385 . 1 . 1 89 89 LYS C C 13 176.122 0.000 . 1 . . . . . 89 LYS C . 51796 1 386 . 1 . 1 89 89 LYS CA C 13 56.800 0.000 . 1 . . . . . 89 LYS CA . 51796 1 387 . 1 . 1 89 89 LYS CB C 13 32.632 0.000 . 1 . . . . . 89 LYS CB . 51796 1 388 . 1 . 1 89 89 LYS N N 15 120.412 0.000 . 1 . . . . . 89 LYS N . 51796 1 389 . 1 . 1 90 90 GLY H H 1 7.551 0.000 . 1 . . . . . 90 GLY H . 51796 1 390 . 1 . 1 90 90 GLY C C 13 178.918 0.000 . 1 . . . . . 90 GLY C . 51796 1 391 . 1 . 1 90 90 GLY CA C 13 46.081 0.000 . 1 . . . . . 90 GLY CA . 51796 1 392 . 1 . 1 90 90 GLY N N 15 115.394 0.000 . 1 . . . . . 90 GLY N . 51796 1 stop_ save_