################################### # 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 53204 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'Backbone OSCP_NT' _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 HNCO' . . . 53204 1 3 '3D HNCA' . . . 53204 1 4 '3D HNCACB' . . . 53204 1 5 '3D HN(CA)CO' . . . 53204 1 6 '3D HN(CO)CA' . . . 53204 1 7 '3D HN(CO)CACB' . . . 53204 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 2 $software_2 . . 53204 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 4 4 VAL H H 1 8.190 0.000 . . . . . . . 9 VAL H . 53204 1 2 . 1 . 1 4 4 VAL C C 13 176.094 0.000 . . . . . . . 9 VAL C . 53204 1 3 . 1 . 1 4 4 VAL CA C 13 62.300 0.000 . . . . . . . 9 VAL CA . 53204 1 4 . 1 . 1 4 4 VAL CB C 13 31.823 0.000 . . . . . . . 9 VAL CB . 53204 1 5 . 1 . 1 4 4 VAL N N 15 120.514 0.000 . . . . . . . 9 VAL N . 53204 1 6 . 1 . 1 5 5 GLN H H 1 8.270 0.000 . . . . . . . 10 GLN H . 53204 1 7 . 1 . 1 5 5 GLN C C 13 176.000 0.000 . . . . . . . 10 GLN C . 53204 1 8 . 1 . 1 5 5 GLN CA C 13 55.803 0.000 . . . . . . . 10 GLN CA . 53204 1 9 . 1 . 1 5 5 GLN CB C 13 28.738 0.000 . . . . . . . 10 GLN CB . 53204 1 10 . 1 . 1 5 5 GLN N N 15 123.625 0.000 . . . . . . . 10 GLN N . 53204 1 11 . 1 . 1 6 6 VAL H H 1 8.190 0.000 . . . . . . . 11 VAL H . 53204 1 12 . 1 . 1 6 6 VAL C C 13 175.761 0.000 . . . . . . . 11 VAL C . 53204 1 13 . 1 . 1 6 6 VAL CA C 13 62.300 0.000 . . . . . . . 11 VAL CA . 53204 1 14 . 1 . 1 6 6 VAL CB C 13 31.823 0.000 . . . . . . . 11 VAL CB . 53204 1 15 . 1 . 1 6 6 VAL N N 15 121.488 0.000 . . . . . . . 11 VAL N . 53204 1 16 . 1 . 1 7 7 TYR H H 1 8.280 0.000 . . . . . . . 12 TYR H . 53204 1 17 . 1 . 1 7 7 TYR C C 13 176.291 0.000 . . . . . . . 12 TYR C . 53204 1 18 . 1 . 1 7 7 TYR CA C 13 58.100 0.000 . . . . . . . 12 TYR CA . 53204 1 19 . 1 . 1 7 7 TYR CB C 13 38.460 0.000 . . . . . . . 12 TYR CB . 53204 1 20 . 1 . 1 7 7 TYR N N 15 124.125 0.000 . . . . . . . 12 TYR N . 53204 1 21 . 1 . 1 8 8 GLY H H 1 8.290 0.000 . . . . . . . 13 GLY H . 53204 1 22 . 1 . 1 8 8 GLY CA C 13 45.100 0.000 . . . . . . . 13 GLY CA . 53204 1 23 . 1 . 1 8 8 GLY N N 15 110.150 0.000 . . . . . . . 13 GLY N . 53204 1 24 . 1 . 1 9 9 ILE H H 1 8.210 0.000 . . . . . . . 14 ILE H . 53204 1 25 . 1 . 1 9 9 ILE CA C 13 61.300 0.000 . . . . . . . 14 ILE CA . 53204 1 26 . 1 . 1 9 9 ILE N N 15 121.637 0.000 . . . . . . . 14 ILE N . 53204 1 27 . 1 . 1 10 10 GLU H H 1 8.360 0.000 . . . . . . . 15 GLU H . 53204 1 28 . 1 . 1 10 10 GLU C C 13 176.991 0.000 . . . . . . . 15 GLU C . 53204 1 29 . 1 . 1 10 10 GLU CA C 13 56.400 0.000 . . . . . . . 15 GLU CA . 53204 1 30 . 1 . 1 10 10 GLU CB C 13 29.700 0.000 . . . . . . . 15 GLU CB . 53204 1 31 . 1 . 1 10 10 GLU N N 15 124.336 0.000 . . . . . . . 15 GLU N . 53204 1 32 . 1 . 1 11 11 GLY H H 1 8.290 0.000 . . . . . . . 16 GLY H . 53204 1 33 . 1 . 1 11 11 GLY CA C 13 45.100 0.000 . . . . . . . 16 GLY CA . 53204 1 34 . 1 . 1 11 11 GLY N N 15 110.600 0.000 . . . . . . . 16 GLY N . 53204 1 35 . 1 . 1 12 12 ARG H H 1 8.270 0.000 . . . . . . . 17 ARG H . 53204 1 36 . 1 . 1 12 12 ARG C C 13 175.967 0.000 . . . . . . . 17 ARG C . 53204 1 37 . 1 . 1 12 12 ARG N N 15 121.567 0.000 . . . . . . . 17 ARG N . 53204 1 38 . 1 . 1 14 14 ALA H H 1 8.150 0.000 . . . . . . . 19 ALA H . 53204 1 39 . 1 . 1 14 14 ALA C C 13 177.584 0.000 . . . . . . . 19 ALA C . 53204 1 40 . 1 . 1 14 14 ALA CA C 13 52.037 0.000 . . . . . . . 19 ALA CA . 53204 1 41 . 1 . 1 14 14 ALA CB C 13 19.000 0.000 . . . . . . . 19 ALA CB . 53204 1 42 . 1 . 1 14 14 ALA N N 15 124.570 0.000 . . . . . . . 19 ALA N . 53204 1 43 . 1 . 1 15 15 THR H H 1 8.240 0.000 . . . . . . . 20 THR H . 53204 1 44 . 1 . 1 15 15 THR CA C 13 62.100 0.000 . . . . . . . 20 THR CA . 53204 1 45 . 1 . 1 15 15 THR CB C 13 68.868 0.000 . . . . . . . 20 THR CB . 53204 1 46 . 1 . 1 15 15 THR N N 15 114.354 0.000 . . . . . . . 20 THR N . 53204 1 47 . 1 . 1 16 16 ALA H H 1 8.150 0.000 . . . . . . . 21 ALA H . 53204 1 48 . 1 . 1 16 16 ALA C C 13 177.584 0.000 . . . . . . . 21 ALA C . 53204 1 49 . 1 . 1 16 16 ALA CA C 13 52.037 0.000 . . . . . . . 21 ALA CA . 53204 1 50 . 1 . 1 16 16 ALA CB C 13 19.000 0.000 . . . . . . . 21 ALA CB . 53204 1 51 . 1 . 1 16 16 ALA N N 15 126.020 0.000 . . . . . . . 21 ALA N . 53204 1 52 . 1 . 1 17 17 LEU H H 1 8.230 0.000 . . . . . . . 22 LEU H . 53204 1 53 . 1 . 1 17 17 LEU CA C 13 54.840 0.000 . . . . . . . 22 LEU CA . 53204 1 54 . 1 . 1 17 17 LEU CB C 13 42.059 0.000 . . . . . . . 22 LEU CB . 53204 1 55 . 1 . 1 17 17 LEU N N 15 121.023 0.000 . . . . . . . 22 LEU N . 53204 1 56 . 1 . 1 18 18 TYR H H 1 8.280 0.000 . . . . . . . 23 TYR H . 53204 1 57 . 1 . 1 18 18 TYR CA C 13 58.100 0.000 . . . . . . . 23 TYR CA . 53204 1 58 . 1 . 1 18 18 TYR CB C 13 38.460 0.000 . . . . . . . 23 TYR CB . 53204 1 59 . 1 . 1 18 18 TYR N N 15 122.280 0.000 . . . . . . . 23 TYR N . 53204 1 60 . 1 . 1 19 19 SER H H 1 8.310 0.000 . . . . . . . 24 SER H . 53204 1 61 . 1 . 1 19 19 SER CA C 13 58.200 0.000 . . . . . . . 24 SER CA . 53204 1 62 . 1 . 1 19 19 SER N N 15 117.450 0.000 . . . . . . . 24 SER N . 53204 1 63 . 1 . 1 20 20 ALA H H 1 8.150 0.000 . . . . . . . 25 ALA H . 53204 1 64 . 1 . 1 20 20 ALA C C 13 177.584 0.000 . . . . . . . 25 ALA C . 53204 1 65 . 1 . 1 20 20 ALA CA C 13 52.037 0.000 . . . . . . . 25 ALA CA . 53204 1 66 . 1 . 1 20 20 ALA CB C 13 19.000 0.000 . . . . . . . 25 ALA CB . 53204 1 67 . 1 . 1 20 20 ALA N N 15 125.414 0.000 . . . . . . . 25 ALA N . 53204 1 68 . 1 . 1 21 21 ALA H H 1 8.150 0.000 . . . . . . . 26 ALA H . 53204 1 69 . 1 . 1 21 21 ALA C C 13 177.584 0.000 . . . . . . . 26 ALA C . 53204 1 70 . 1 . 1 21 21 ALA CA C 13 52.037 0.000 . . . . . . . 26 ALA CA . 53204 1 71 . 1 . 1 21 21 ALA CB C 13 19.000 0.000 . . . . . . . 26 ALA CB . 53204 1 72 . 1 . 1 21 21 ALA N N 15 123.100 0.000 . . . . . . . 26 ALA N . 53204 1 73 . 1 . 1 22 22 SER H H 1 8.310 0.000 . . . . . . . 27 SER H . 53204 1 74 . 1 . 1 22 22 SER CA C 13 58.200 0.000 . . . . . . . 27 SER CA . 53204 1 75 . 1 . 1 22 22 SER N N 15 115.500 0.000 . . . . . . . 27 SER N . 53204 1 76 . 1 . 1 23 23 LYS H H 1 8.250 0.000 . . . . . . . 28 LYS H . 53204 1 77 . 1 . 1 23 23 LYS C C 13 176.600 0.000 . . . . . . . 28 LYS C . 53204 1 78 . 1 . 1 23 23 LYS CA C 13 56.287 0.000 . . . . . . . 28 LYS CA . 53204 1 79 . 1 . 1 23 23 LYS CB C 13 32.500 0.000 . . . . . . . 28 LYS CB . 53204 1 80 . 1 . 1 23 23 LYS N N 15 122.994 0.000 . . . . . . . 28 LYS N . 53204 1 81 . 1 . 1 24 24 GLN H H 1 8.270 0.000 . . . . . . . 29 GLN H . 53204 1 82 . 1 . 1 24 24 GLN C C 13 176.000 0.000 . . . . . . . 29 GLN C . 53204 1 83 . 1 . 1 24 24 GLN CA C 13 55.803 0.000 . . . . . . . 29 GLN CA . 53204 1 84 . 1 . 1 24 24 GLN CB C 13 28.738 0.000 . . . . . . . 29 GLN CB . 53204 1 85 . 1 . 1 24 24 GLN N N 15 121.345 0.000 . . . . . . . 29 GLN N . 53204 1 86 . 1 . 1 25 25 ASN H H 1 8.380 0.000 . . . . . . . 30 ASN H . 53204 1 87 . 1 . 1 25 25 ASN C C 13 175.510 0.000 . . . . . . . 30 ASN C . 53204 1 88 . 1 . 1 25 25 ASN CA C 13 53.050 0.000 . . . . . . . 30 ASN CA . 53204 1 89 . 1 . 1 25 25 ASN CB C 13 38.487 0.000 . . . . . . . 30 ASN CB . 53204 1 90 . 1 . 1 25 25 ASN N N 15 120.274 0.000 . . . . . . . 30 ASN N . 53204 1 91 . 1 . 1 26 26 LYS H H 1 8.250 0.000 . . . . . . . 31 LYS H . 53204 1 92 . 1 . 1 26 26 LYS C C 13 176.600 0.000 . . . . . . . 31 LYS C . 53204 1 93 . 1 . 1 26 26 LYS CA C 13 56.287 0.000 . . . . . . . 31 LYS CA . 53204 1 94 . 1 . 1 26 26 LYS CB C 13 32.500 0.000 . . . . . . . 31 LYS CB . 53204 1 95 . 1 . 1 26 26 LYS N N 15 121.550 0.000 . . . . . . . 31 LYS N . 53204 1 96 . 1 . 1 27 27 LEU H H 1 8.230 0.000 . . . . . . . 32 LEU H . 53204 1 97 . 1 . 1 27 27 LEU C C 13 176.870 0.000 . . . . . . . 32 LEU C . 53204 1 98 . 1 . 1 27 27 LEU CA C 13 54.840 0.000 . . . . . . . 32 LEU CA . 53204 1 99 . 1 . 1 27 27 LEU CB C 13 42.059 0.000 . . . . . . . 32 LEU CB . 53204 1 100 . 1 . 1 27 27 LEU N N 15 122.768 0.000 . . . . . . . 32 LEU N . 53204 1 101 . 1 . 1 28 28 GLU H H 1 8.360 0.000 . . . . . . . 33 GLU H . 53204 1 102 . 1 . 1 28 28 GLU C C 13 176.600 0.000 . . . . . . . 33 GLU C . 53204 1 103 . 1 . 1 28 28 GLU CA C 13 56.400 0.000 . . . . . . . 33 GLU CA . 53204 1 104 . 1 . 1 28 28 GLU CB C 13 29.700 0.000 . . . . . . . 33 GLU CB . 53204 1 105 . 1 . 1 28 28 GLU N N 15 121.700 0.000 . . . . . . . 33 GLU N . 53204 1 106 . 1 . 1 29 29 GLN H H 1 8.270 0.000 . . . . . . . 34 GLN H . 53204 1 107 . 1 . 1 29 29 GLN C C 13 176.000 0.000 . . . . . . . 34 GLN C . 53204 1 108 . 1 . 1 29 29 GLN CA C 13 55.803 0.000 . . . . . . . 34 GLN CA . 53204 1 109 . 1 . 1 29 29 GLN CB C 13 28.738 0.000 . . . . . . . 34 GLN CB . 53204 1 110 . 1 . 1 29 29 GLN N N 15 121.600 0.000 . . . . . . . 34 GLN N . 53204 1 111 . 1 . 1 30 30 VAL H H 1 8.190 0.000 . . . . . . . 35 VAL H . 53204 1 112 . 1 . 1 30 30 VAL C C 13 176.094 0.000 . . . . . . . 35 VAL C . 53204 1 113 . 1 . 1 30 30 VAL CA C 13 62.300 0.000 . . . . . . . 35 VAL CA . 53204 1 114 . 1 . 1 30 30 VAL CB C 13 31.823 0.000 . . . . . . . 35 VAL CB . 53204 1 115 . 1 . 1 30 30 VAL N N 15 121.488 0.000 . . . . . . . 35 VAL N . 53204 1 116 . 1 . 1 31 31 GLU H H 1 8.360 0.000 . . . . . . . 36 GLU H . 53204 1 117 . 1 . 1 31 31 GLU C C 13 176.600 0.000 . . . . . . . 36 GLU C . 53204 1 118 . 1 . 1 31 31 GLU CA C 13 56.400 0.000 . . . . . . . 36 GLU CA . 53204 1 119 . 1 . 1 31 31 GLU CB C 13 29.700 0.000 . . . . . . . 36 GLU CB . 53204 1 120 . 1 . 1 31 31 GLU N N 15 124.025 0.000 . . . . . . . 36 GLU N . 53204 1 121 . 1 . 1 32 32 LYS H H 1 8.250 0.000 . . . . . . . 37 LYS H . 53204 1 122 . 1 . 1 32 32 LYS C C 13 176.600 0.000 . . . . . . . 37 LYS C . 53204 1 123 . 1 . 1 32 32 LYS CA C 13 56.287 0.000 . . . . . . . 37 LYS CA . 53204 1 124 . 1 . 1 32 32 LYS CB C 13 32.500 0.000 . . . . . . . 37 LYS CB . 53204 1 125 . 1 . 1 32 32 LYS N N 15 122.200 0.000 . . . . . . . 37 LYS N . 53204 1 126 . 1 . 1 33 33 GLU H H 1 8.360 0.000 . . . . . . . 38 GLU H . 53204 1 127 . 1 . 1 33 33 GLU C C 13 176.600 0.000 . . . . . . . 38 GLU C . 53204 1 128 . 1 . 1 33 33 GLU CA C 13 56.400 0.000 . . . . . . . 38 GLU CA . 53204 1 129 . 1 . 1 33 33 GLU CB C 13 29.700 0.000 . . . . . . . 38 GLU CB . 53204 1 130 . 1 . 1 33 33 GLU N N 15 121.745 0.000 . . . . . . . 38 GLU N . 53204 1 131 . 1 . 1 34 34 LEU H H 1 8.230 0.000 . . . . . . . 39 LEU H . 53204 1 132 . 1 . 1 34 34 LEU CA C 13 54.840 0.000 . . . . . . . 39 LEU CA . 53204 1 133 . 1 . 1 34 34 LEU CB C 13 42.059 0.000 . . . . . . . 39 LEU CB . 53204 1 134 . 1 . 1 34 34 LEU N N 15 123.023 0.000 . . . . . . . 39 LEU N . 53204 1 135 . 1 . 1 35 35 LEU H H 1 8.230 0.000 . . . . . . . 40 LEU H . 53204 1 136 . 1 . 1 35 35 LEU C C 13 176.870 0.000 . . . . . . . 40 LEU C . 53204 1 137 . 1 . 1 35 35 LEU CA C 13 54.840 0.000 . . . . . . . 40 LEU CA . 53204 1 138 . 1 . 1 35 35 LEU N N 15 122.723 0.000 . . . . . . . 40 LEU N . 53204 1 139 . 1 . 1 36 36 ARG H H 1 8.270 0.000 . . . . . . . 41 ARG H . 53204 1 140 . 1 . 1 36 36 ARG C C 13 176.300 0.000 . . . . . . . 41 ARG C . 53204 1 141 . 1 . 1 36 36 ARG CA C 13 56.100 0.000 . . . . . . . 41 ARG CA . 53204 1 142 . 1 . 1 36 36 ARG CB C 13 30.300 0.000 . . . . . . . 41 ARG CB . 53204 1 143 . 1 . 1 36 36 ARG N N 15 122.000 0.000 . . . . . . . 41 ARG N . 53204 1 144 . 1 . 1 37 37 VAL H H 1 8.190 0.000 . . . . . . . 42 VAL H . 53204 1 145 . 1 . 1 37 37 VAL C C 13 176.094 0.000 . . . . . . . 42 VAL C . 53204 1 146 . 1 . 1 37 37 VAL CA C 13 62.300 0.000 . . . . . . . 42 VAL CA . 53204 1 147 . 1 . 1 37 37 VAL CB C 13 31.823 0.000 . . . . . . . 42 VAL CB . 53204 1 148 . 1 . 1 37 37 VAL N N 15 121.360 0.000 . . . . . . . 42 VAL N . 53204 1 149 . 1 . 1 38 38 ALA H H 1 8.150 0.000 . . . . . . . 43 ALA H . 53204 1 150 . 1 . 1 38 38 ALA CA C 13 52.037 0.000 . . . . . . . 43 ALA CA . 53204 1 151 . 1 . 1 38 38 ALA CB C 13 19.000 0.000 . . . . . . . 43 ALA CB . 53204 1 152 . 1 . 1 38 38 ALA N N 15 126.645 0.000 . . . . . . . 43 ALA N . 53204 1 153 . 1 . 1 39 39 GLN H H 1 8.270 0.000 . . . . . . . 44 GLN H . 53204 1 154 . 1 . 1 39 39 GLN C C 13 176.000 0.000 . . . . . . . 44 GLN C . 53204 1 155 . 1 . 1 39 39 GLN CA C 13 55.803 0.000 . . . . . . . 44 GLN CA . 53204 1 156 . 1 . 1 39 39 GLN CB C 13 28.738 0.000 . . . . . . . 44 GLN CB . 53204 1 157 . 1 . 1 39 39 GLN N N 15 119.200 0.000 . . . . . . . 44 GLN N . 53204 1 158 . 1 . 1 40 40 ILE H H 1 8.210 0.000 . . . . . . . 45 ILE H . 53204 1 159 . 1 . 1 40 40 ILE C C 13 176.117 0.000 . . . . . . . 45 ILE C . 53204 1 160 . 1 . 1 40 40 ILE CA C 13 61.300 0.000 . . . . . . . 45 ILE CA . 53204 1 161 . 1 . 1 40 40 ILE CB C 13 38.000 0.000 . . . . . . . 45 ILE CB . 53204 1 162 . 1 . 1 40 40 ILE N N 15 122.144 0.000 . . . . . . . 45 ILE N . 53204 1 163 . 1 . 1 41 41 LEU H H 1 8.230 0.000 . . . . . . . 46 LEU H . 53204 1 164 . 1 . 1 41 41 LEU C C 13 176.870 0.000 . . . . . . . 46 LEU C . 53204 1 165 . 1 . 1 41 41 LEU CA C 13 54.840 0.000 . . . . . . . 46 LEU CA . 53204 1 166 . 1 . 1 41 41 LEU CB C 13 42.059 0.000 . . . . . . . 46 LEU CB . 53204 1 167 . 1 . 1 41 41 LEU N N 15 125.359 0.000 . . . . . . . 46 LEU N . 53204 1 168 . 1 . 1 42 42 LYS H H 1 8.250 0.000 . . . . . . . 47 LYS H . 53204 1 169 . 1 . 1 42 42 LYS C C 13 176.600 0.000 . . . . . . . 47 LYS C . 53204 1 170 . 1 . 1 42 42 LYS CA C 13 56.287 0.000 . . . . . . . 47 LYS CA . 53204 1 171 . 1 . 1 42 42 LYS CB C 13 32.500 0.000 . . . . . . . 47 LYS CB . 53204 1 172 . 1 . 1 42 42 LYS N N 15 121.900 0.000 . . . . . . . 47 LYS N . 53204 1 173 . 1 . 1 43 43 GLU H H 1 8.360 0.000 . . . . . . . 48 GLU H . 53204 1 174 . 1 . 1 43 43 GLU C C 13 176.600 0.000 . . . . . . . 48 GLU C . 53204 1 175 . 1 . 1 43 43 GLU CA C 13 56.400 0.000 . . . . . . . 48 GLU CA . 53204 1 176 . 1 . 1 43 43 GLU CB C 13 29.700 0.000 . . . . . . . 48 GLU CB . 53204 1 177 . 1 . 1 43 43 GLU N N 15 121.745 0.000 . . . . . . . 48 GLU N . 53204 1 178 . 1 . 1 45 45 LYS H H 1 8.250 0.000 . . . . . . . 50 LYS H . 53204 1 179 . 1 . 1 45 45 LYS CA C 13 56.287 0.000 . . . . . . . 50 LYS CA . 53204 1 180 . 1 . 1 45 45 LYS CB C 13 32.500 0.000 . . . . . . . 50 LYS CB . 53204 1 181 . 1 . 1 45 45 LYS N N 15 121.000 0.000 . . . . . . . 50 LYS N . 53204 1 182 . 1 . 1 46 46 VAL H H 1 8.190 0.000 . . . . . . . 51 VAL H . 53204 1 183 . 1 . 1 46 46 VAL C C 13 176.094 0.000 . . . . . . . 51 VAL C . 53204 1 184 . 1 . 1 46 46 VAL CA C 13 62.300 0.000 . . . . . . . 51 VAL CA . 53204 1 185 . 1 . 1 46 46 VAL CB C 13 31.823 0.000 . . . . . . . 51 VAL CB . 53204 1 186 . 1 . 1 46 46 VAL N N 15 121.459 0.000 . . . . . . . 51 VAL N . 53204 1 187 . 1 . 1 47 47 ALA H H 1 8.150 0.000 . . . . . . . 52 ALA H . 53204 1 188 . 1 . 1 47 47 ALA C C 13 177.584 0.000 . . . . . . . 52 ALA C . 53204 1 189 . 1 . 1 47 47 ALA CA C 13 52.037 0.000 . . . . . . . 52 ALA CA . 53204 1 190 . 1 . 1 47 47 ALA CB C 13 19.000 0.000 . . . . . . . 52 ALA CB . 53204 1 191 . 1 . 1 47 47 ALA N N 15 126.645 0.000 . . . . . . . 52 ALA N . 53204 1 192 . 1 . 1 48 48 ALA H H 1 8.150 0.000 . . . . . . . 53 ALA H . 53204 1 193 . 1 . 1 48 48 ALA CA C 13 52.037 0.000 . . . . . . . 53 ALA CA . 53204 1 194 . 1 . 1 48 48 ALA CB C 13 19.000 0.000 . . . . . . . 53 ALA CB . 53204 1 195 . 1 . 1 48 48 ALA N N 15 123.100 0.000 . . . . . . . 53 ALA N . 53204 1 196 . 1 . 1 49 49 SER H H 1 8.310 0.000 . . . . . . . 54 SER H . 53204 1 197 . 1 . 1 49 49 SER CA C 13 58.200 0.000 . . . . . . . 54 SER CA . 53204 1 198 . 1 . 1 49 49 SER CB C 13 63.200 0.000 . . . . . . . 54 SER CB . 53204 1 199 . 1 . 1 49 49 SER N N 15 115.500 0.000 . . . . . . . 54 SER N . 53204 1 200 . 1 . 1 50 50 VAL H H 1 8.190 0.000 . . . . . . . 55 VAL H . 53204 1 201 . 1 . 1 50 50 VAL C C 13 176.094 0.000 . . . . . . . 55 VAL C . 53204 1 202 . 1 . 1 50 50 VAL CA C 13 62.300 0.000 . . . . . . . 55 VAL CA . 53204 1 203 . 1 . 1 50 50 VAL CB C 13 31.823 0.000 . . . . . . . 55 VAL CB . 53204 1 204 . 1 . 1 50 50 VAL N N 15 122.508 0.000 . . . . . . . 55 VAL N . 53204 1 205 . 1 . 1 51 51 LEU H H 1 8.230 0.000 . . . . . . . 56 LEU H . 53204 1 206 . 1 . 1 51 51 LEU C C 13 176.870 0.000 . . . . . . . 56 LEU C . 53204 1 207 . 1 . 1 51 51 LEU CA C 13 54.840 0.000 . . . . . . . 56 LEU CA . 53204 1 208 . 1 . 1 51 51 LEU CB C 13 42.059 0.000 . . . . . . . 56 LEU CB . 53204 1 209 . 1 . 1 51 51 LEU N N 15 125.048 0.000 . . . . . . . 56 LEU N . 53204 1 210 . 1 . 1 52 52 ASN H H 1 8.380 0.000 . . . . . . . 57 ASN H . 53204 1 211 . 1 . 1 52 52 ASN CA C 13 53.050 0.000 . . . . . . . 57 ASN CA . 53204 1 212 . 1 . 1 52 52 ASN CB C 13 38.487 0.000 . . . . . . . 57 ASN CB . 53204 1 213 . 1 . 1 52 52 ASN N N 15 120.200 0.000 . . . . . . . 57 ASN N . 53204 1 214 . 1 . 1 54 54 TYR H H 1 8.280 0.000 . . . . . . . 59 TYR H . 53204 1 215 . 1 . 1 54 54 TYR C C 13 175.900 0.000 . . . . . . . 59 TYR C . 53204 1 216 . 1 . 1 54 54 TYR CA C 13 58.100 0.000 . . . . . . . 59 TYR CA . 53204 1 217 . 1 . 1 54 54 TYR CB C 13 38.460 0.000 . . . . . . . 59 TYR CB . 53204 1 218 . 1 . 1 54 54 TYR N N 15 120.900 0.000 . . . . . . . 59 TYR N . 53204 1 219 . 1 . 1 55 55 VAL H H 1 8.190 0.000 . . . . . . . 60 VAL H . 53204 1 220 . 1 . 1 55 55 VAL C C 13 176.094 0.000 . . . . . . . 60 VAL C . 53204 1 221 . 1 . 1 55 55 VAL CA C 13 62.300 0.000 . . . . . . . 60 VAL CA . 53204 1 222 . 1 . 1 55 55 VAL CB C 13 31.823 0.000 . . . . . . . 60 VAL CB . 53204 1 223 . 1 . 1 55 55 VAL N N 15 121.664 0.000 . . . . . . . 60 VAL N . 53204 1 224 . 1 . 1 56 56 LYS H H 1 8.250 0.000 . . . . . . . 61 LYS H . 53204 1 225 . 1 . 1 56 56 LYS C C 13 176.600 0.000 . . . . . . . 61 LYS C . 53204 1 226 . 1 . 1 56 56 LYS CA C 13 56.287 0.000 . . . . . . . 61 LYS CA . 53204 1 227 . 1 . 1 56 56 LYS CB C 13 32.500 0.000 . . . . . . . 61 LYS CB . 53204 1 228 . 1 . 1 56 56 LYS N N 15 124.225 0.000 . . . . . . . 61 LYS N . 53204 1 229 . 1 . 1 57 57 ARG H H 1 8.270 0.000 . . . . . . . 62 ARG H . 53204 1 230 . 1 . 1 57 57 ARG N N 15 122.525 0.000 . . . . . . . 62 ARG N . 53204 1 231 . 1 . 1 58 58 SER H H 1 8.310 0.000 . . . . . . . 63 SER H . 53204 1 232 . 1 . 1 58 58 SER N N 15 116.746 0.000 . . . . . . . 63 SER N . 53204 1 233 . 1 . 1 59 59 ILE H H 1 8.210 0.000 . . . . . . . 64 ILE H . 53204 1 234 . 1 . 1 59 59 ILE CA C 13 61.300 0.000 . . . . . . . 64 ILE CA . 53204 1 235 . 1 . 1 59 59 ILE CB C 13 38.000 0.000 . . . . . . . 64 ILE CB . 53204 1 236 . 1 . 1 59 59 ILE N N 15 123.164 0.000 . . . . . . . 64 ILE N . 53204 1 237 . 1 . 1 60 60 LYS H H 1 8.250 0.000 . . . . . . . 65 LYS H . 53204 1 238 . 1 . 1 60 60 LYS CA C 13 56.287 0.000 . . . . . . . 65 LYS CA . 53204 1 239 . 1 . 1 60 60 LYS CB C 13 32.500 0.000 . . . . . . . 65 LYS CB . 53204 1 240 . 1 . 1 60 60 LYS N N 15 124.536 0.000 . . . . . . . 65 LYS N . 53204 1 241 . 1 . 1 61 61 VAL H H 1 8.190 0.000 . . . . . . . 66 VAL H . 53204 1 242 . 1 . 1 61 61 VAL C C 13 176.094 0.000 . . . . . . . 66 VAL C . 53204 1 243 . 1 . 1 61 61 VAL CA C 13 62.300 0.000 . . . . . . . 66 VAL CA . 53204 1 244 . 1 . 1 61 61 VAL N N 15 121.459 0.000 . . . . . . . 66 VAL N . 53204 1 245 . 1 . 1 62 62 LYS H H 1 8.250 0.000 . . . . . . . 67 LYS H . 53204 1 246 . 1 . 1 62 62 LYS CA C 13 56.287 0.000 . . . . . . . 67 LYS CA . 53204 1 247 . 1 . 1 62 62 LYS N N 15 124.705 0.000 . . . . . . . 67 LYS N . 53204 1 248 . 1 . 1 63 63 SER H H 1 8.310 0.000 . . . . . . . 68 SER H . 53204 1 249 . 1 . 1 63 63 SER CA C 13 58.200 0.000 . . . . . . . 68 SER CA . 53204 1 250 . 1 . 1 63 63 SER N N 15 117.245 0.000 . . . . . . . 68 SER N . 53204 1 251 . 1 . 1 64 64 LEU H H 1 8.230 0.000 . . . . . . . 69 LEU H . 53204 1 252 . 1 . 1 64 64 LEU C C 13 176.870 0.000 . . . . . . . 69 LEU C . 53204 1 253 . 1 . 1 64 64 LEU CA C 13 54.840 0.000 . . . . . . . 69 LEU CA . 53204 1 254 . 1 . 1 64 64 LEU CB C 13 42.059 0.000 . . . . . . . 69 LEU CB . 53204 1 255 . 1 . 1 64 64 LEU N N 15 123.817 0.000 . . . . . . . 69 LEU N . 53204 1 256 . 1 . 1 65 65 ASN H H 1 8.380 0.000 . . . . . . . 70 ASN H . 53204 1 257 . 1 . 1 65 65 ASN C C 13 175.187 0.000 . . . . . . . 70 ASN C . 53204 1 258 . 1 . 1 65 65 ASN CA C 13 53.050 0.000 . . . . . . . 70 ASN CA . 53204 1 259 . 1 . 1 65 65 ASN CB C 13 38.487 0.000 . . . . . . . 70 ASN CB . 53204 1 260 . 1 . 1 65 65 ASN N N 15 120.200 0.000 . . . . . . . 70 ASN N . 53204 1 261 . 1 . 1 66 66 ASP H H 1 8.370 0.000 . . . . . . . 71 ASP H . 53204 1 262 . 1 . 1 66 66 ASP C C 13 176.300 0.000 . . . . . . . 71 ASP C . 53204 1 263 . 1 . 1 66 66 ASP CA C 13 54.000 0.000 . . . . . . . 71 ASP CA . 53204 1 264 . 1 . 1 66 66 ASP CB C 13 40.800 0.000 . . . . . . . 71 ASP CB . 53204 1 265 . 1 . 1 66 66 ASP N N 15 121.150 0.000 . . . . . . . 71 ASP N . 53204 1 266 . 1 . 1 67 67 ILE H H 1 8.210 0.000 . . . . . . . 72 ILE H . 53204 1 267 . 1 . 1 67 67 ILE C C 13 176.117 0.000 . . . . . . . 72 ILE C . 53204 1 268 . 1 . 1 67 67 ILE CA C 13 61.300 0.000 . . . . . . . 72 ILE CA . 53204 1 269 . 1 . 1 67 67 ILE CB C 13 38.000 0.000 . . . . . . . 72 ILE CB . 53204 1 270 . 1 . 1 67 67 ILE N N 15 121.745 0.000 . . . . . . . 72 ILE N . 53204 1 271 . 1 . 1 68 68 THR H H 1 8.240 0.000 . . . . . . . 73 THR H . 53204 1 272 . 1 . 1 68 68 THR CA C 13 62.100 0.000 . . . . . . . 73 THR CA . 53204 1 273 . 1 . 1 68 68 THR CB C 13 68.868 0.000 . . . . . . . 73 THR CB . 53204 1 274 . 1 . 1 68 68 THR N N 15 118.690 0.000 . . . . . . . 73 THR N . 53204 1 275 . 1 . 1 69 69 ALA H H 1 8.150 0.000 . . . . . . . 74 ALA H . 53204 1 276 . 1 . 1 69 69 ALA C C 13 177.584 0.000 . . . . . . . 74 ALA C . 53204 1 277 . 1 . 1 69 69 ALA CA C 13 52.037 0.000 . . . . . . . 74 ALA CA . 53204 1 278 . 1 . 1 69 69 ALA CB C 13 19.000 0.000 . . . . . . . 74 ALA CB . 53204 1 279 . 1 . 1 69 69 ALA N N 15 126.020 0.000 . . . . . . . 74 ALA N . 53204 1 280 . 1 . 1 70 70 LYS H H 1 8.250 0.000 . . . . . . . 75 LYS H . 53204 1 281 . 1 . 1 70 70 LYS C C 13 176.600 0.000 . . . . . . . 75 LYS C . 53204 1 282 . 1 . 1 70 70 LYS CA C 13 56.287 0.000 . . . . . . . 75 LYS CA . 53204 1 283 . 1 . 1 70 70 LYS CB C 13 32.500 0.000 . . . . . . . 75 LYS CB . 53204 1 284 . 1 . 1 70 70 LYS N N 15 120.200 0.000 . . . . . . . 75 LYS N . 53204 1 285 . 1 . 1 71 71 GLU H H 1 8.360 0.000 . . . . . . . 76 GLU H . 53204 1 286 . 1 . 1 71 71 GLU C C 13 176.600 0.000 . . . . . . . 76 GLU C . 53204 1 287 . 1 . 1 71 71 GLU CA C 13 56.400 0.000 . . . . . . . 76 GLU CA . 53204 1 288 . 1 . 1 71 71 GLU CB C 13 29.700 0.000 . . . . . . . 76 GLU CB . 53204 1 289 . 1 . 1 71 71 GLU N N 15 121.745 0.000 . . . . . . . 76 GLU N . 53204 1 290 . 1 . 1 72 72 ARG H H 1 8.270 0.000 . . . . . . . 77 ARG H . 53204 1 291 . 1 . 1 72 72 ARG C C 13 176.300 0.000 . . . . . . . 77 ARG C . 53204 1 292 . 1 . 1 72 72 ARG CA C 13 56.100 0.000 . . . . . . . 77 ARG CA . 53204 1 293 . 1 . 1 72 72 ARG CB C 13 30.300 0.000 . . . . . . . 77 ARG CB . 53204 1 294 . 1 . 1 72 72 ARG N N 15 122.300 0.000 . . . . . . . 77 ARG N . 53204 1 295 . 1 . 1 73 73 PHE H H 1 8.300 0.000 . . . . . . . 78 PHE H . 53204 1 296 . 1 . 1 73 73 PHE C C 13 175.800 0.000 . . . . . . . 78 PHE C . 53204 1 297 . 1 . 1 73 73 PHE CA C 13 58.000 0.000 . . . . . . . 78 PHE CA . 53204 1 298 . 1 . 1 73 73 PHE CB C 13 39.000 0.000 . . . . . . . 78 PHE CB . 53204 1 299 . 1 . 1 73 73 PHE N N 15 121.876 0.000 . . . . . . . 78 PHE N . 53204 1 300 . 1 . 1 74 74 SER H H 1 8.310 0.000 . . . . . . . 79 SER H . 53204 1 301 . 1 . 1 74 74 SER CA C 13 58.200 0.000 . . . . . . . 79 SER CA . 53204 1 302 . 1 . 1 74 74 SER CB C 13 63.200 0.000 . . . . . . . 79 SER CB . 53204 1 303 . 1 . 1 74 74 SER N N 15 116.951 0.000 . . . . . . . 79 SER N . 53204 1 304 . 1 . 1 77 77 THR H H 1 8.240 0.000 . . . . . . . 82 THR H . 53204 1 305 . 1 . 1 77 77 THR CA C 13 62.100 0.000 . . . . . . . 82 THR CA . 53204 1 306 . 1 . 1 77 77 THR N N 15 116.054 0.000 . . . . . . . 82 THR N . 53204 1 307 . 1 . 1 78 78 THR H H 1 8.240 0.000 . . . . . . . 83 THR H . 53204 1 308 . 1 . 1 78 78 THR CA C 13 62.100 0.000 . . . . . . . 83 THR CA . 53204 1 309 . 1 . 1 78 78 THR N N 15 117.754 0.000 . . . . . . . 83 THR N . 53204 1 310 . 1 . 1 79 79 ASN H H 1 8.380 0.000 . . . . . . . 84 ASN H . 53204 1 311 . 1 . 1 79 79 ASN C C 13 175.510 0.000 . . . . . . . 84 ASN C . 53204 1 312 . 1 . 1 79 79 ASN CA C 13 53.050 0.000 . . . . . . . 84 ASN CA . 53204 1 313 . 1 . 1 79 79 ASN CB C 13 38.487 0.000 . . . . . . . 84 ASN CB . 53204 1 314 . 1 . 1 79 79 ASN N N 15 121.900 0.000 . . . . . . . 84 ASN N . 53204 1 315 . 1 . 1 80 80 LEU H H 1 8.230 0.000 . . . . . . . 85 LEU H . 53204 1 316 . 1 . 1 80 80 LEU C C 13 176.870 0.000 . . . . . . . 85 LEU C . 53204 1 317 . 1 . 1 80 80 LEU CA C 13 54.840 0.000 . . . . . . . 85 LEU CA . 53204 1 318 . 1 . 1 80 80 LEU N N 15 121.973 0.000 . . . . . . . 85 LEU N . 53204 1 319 . 1 . 1 81 81 ILE H H 1 8.210 0.000 . . . . . . . 86 ILE H . 53204 1 320 . 1 . 1 81 81 ILE C C 13 176.117 0.000 . . . . . . . 86 ILE C . 53204 1 321 . 1 . 1 81 81 ILE CA C 13 61.300 0.000 . . . . . . . 86 ILE CA . 53204 1 322 . 1 . 1 81 81 ILE CB C 13 38.000 0.000 . . . . . . . 86 ILE CB . 53204 1 323 . 1 . 1 81 81 ILE N N 15 122.070 0.000 . . . . . . . 86 ILE N . 53204 1 324 . 1 . 1 82 82 ASN H H 1 8.380 0.000 . . . . . . . 87 ASN H . 53204 1 325 . 1 . 1 82 82 ASN C C 13 175.510 0.000 . . . . . . . 87 ASN C . 53204 1 326 . 1 . 1 82 82 ASN CA C 13 53.050 0.000 . . . . . . . 87 ASN CA . 53204 1 327 . 1 . 1 82 82 ASN CB C 13 38.487 0.000 . . . . . . . 87 ASN CB . 53204 1 328 . 1 . 1 82 82 ASN N N 15 122.836 0.000 . . . . . . . 87 ASN N . 53204 1 329 . 1 . 1 83 83 LEU H H 1 8.230 0.000 . . . . . . . 88 LEU H . 53204 1 330 . 1 . 1 83 83 LEU C C 13 176.870 0.000 . . . . . . . 88 LEU C . 53204 1 331 . 1 . 1 83 83 LEU CA C 13 54.840 0.000 . . . . . . . 88 LEU CA . 53204 1 332 . 1 . 1 83 83 LEU CB C 13 42.059 0.000 . . . . . . . 88 LEU CB . 53204 1 333 . 1 . 1 83 83 LEU N N 15 122.373 0.000 . . . . . . . 88 LEU N . 53204 1 334 . 1 . 1 84 84 LEU H H 1 8.230 0.000 . . . . . . . 89 LEU H . 53204 1 335 . 1 . 1 84 84 LEU CA C 13 54.840 0.000 . . . . . . . 89 LEU CA . 53204 1 336 . 1 . 1 84 84 LEU CB C 13 42.059 0.000 . . . . . . . 89 LEU CB . 53204 1 337 . 1 . 1 84 84 LEU N N 15 122.723 0.000 . . . . . . . 89 LEU N . 53204 1 338 . 1 . 1 85 85 ALA H H 1 8.150 0.000 . . . . . . . 90 ALA H . 53204 1 339 . 1 . 1 85 85 ALA C C 13 177.584 0.000 . . . . . . . 90 ALA C . 53204 1 340 . 1 . 1 85 85 ALA CA C 13 52.037 0.000 . . . . . . . 90 ALA CA . 53204 1 341 . 1 . 1 85 85 ALA CB C 13 19.000 0.000 . . . . . . . 90 ALA CB . 53204 1 342 . 1 . 1 85 85 ALA N N 15 124.320 0.000 . . . . . . . 90 ALA N . 53204 1 343 . 1 . 1 86 86 GLU H H 1 8.360 0.000 . . . . . . . 91 GLU H . 53204 1 344 . 1 . 1 86 86 GLU C C 13 176.600 0.000 . . . . . . . 91 GLU C . 53204 1 345 . 1 . 1 86 86 GLU CA C 13 56.400 0.000 . . . . . . . 91 GLU CA . 53204 1 346 . 1 . 1 86 86 GLU CB C 13 29.700 0.000 . . . . . . . 91 GLU CB . 53204 1 347 . 1 . 1 86 86 GLU N N 15 120.000 0.000 . . . . . . . 91 GLU N . 53204 1 348 . 1 . 1 87 87 ASN H H 1 8.380 0.000 . . . . . . . 92 ASN H . 53204 1 349 . 1 . 1 87 87 ASN C C 13 175.901 0.000 . . . . . . . 92 ASN C . 53204 1 350 . 1 . 1 87 87 ASN CA C 13 53.050 0.000 . . . . . . . 92 ASN CA . 53204 1 351 . 1 . 1 87 87 ASN CB C 13 38.487 0.000 . . . . . . . 92 ASN CB . 53204 1 352 . 1 . 1 87 87 ASN N N 15 120.500 0.000 . . . . . . . 92 ASN N . 53204 1 353 . 1 . 1 88 88 GLY H H 1 8.290 0.000 . . . . . . . 93 GLY H . 53204 1 354 . 1 . 1 88 88 GLY C C 13 174.900 0.000 . . . . . . . 93 GLY C . 53204 1 355 . 1 . 1 88 88 GLY CA C 13 45.100 0.000 . . . . . . . 93 GLY CA . 53204 1 356 . 1 . 1 88 88 GLY N N 15 109.950 0.000 . . . . . . . 93 GLY N . 53204 1 357 . 1 . 1 89 89 ARG H H 1 8.270 0.000 . . . . . . . 94 ARG H . 53204 1 358 . 1 . 1 89 89 ARG C C 13 176.300 0.000 . . . . . . . 94 ARG C . 53204 1 359 . 1 . 1 89 89 ARG CA C 13 56.100 0.000 . . . . . . . 94 ARG CA . 53204 1 360 . 1 . 1 89 89 ARG CB C 13 30.300 0.000 . . . . . . . 94 ARG CB . 53204 1 361 . 1 . 1 89 89 ARG N N 15 121.567 0.000 . . . . . . . 94 ARG N . 53204 1 362 . 1 . 1 90 90 LEU H H 1 8.230 0.000 . . . . . . . 95 LEU H . 53204 1 363 . 1 . 1 90 90 LEU CA C 13 54.840 0.000 . . . . . . . 95 LEU CA . 53204 1 364 . 1 . 1 90 90 LEU CB C 13 42.059 0.000 . . . . . . . 95 LEU CB . 53204 1 365 . 1 . 1 90 90 LEU N N 15 123.149 0.000 . . . . . . . 95 LEU N . 53204 1 366 . 1 . 1 92 92 ASN H H 1 8.380 0.000 . . . . . . . 97 ASN H . 53204 1 367 . 1 . 1 92 92 ASN C C 13 175.510 0.000 . . . . . . . 97 ASN C . 53204 1 368 . 1 . 1 92 92 ASN CA C 13 53.050 0.000 . . . . . . . 97 ASN CA . 53204 1 369 . 1 . 1 92 92 ASN CB C 13 38.487 0.000 . . . . . . . 97 ASN CB . 53204 1 370 . 1 . 1 92 92 ASN N N 15 121.294 0.000 . . . . . . . 97 ASN N . 53204 1 371 . 1 . 1 93 93 THR H H 1 8.240 0.000 . . . . . . . 98 THR H . 53204 1 372 . 1 . 1 93 93 THR CA C 13 62.100 0.000 . . . . . . . 98 THR CA . 53204 1 373 . 1 . 1 93 93 THR CB C 13 68.868 0.000 . . . . . . . 98 THR CB . 53204 1 374 . 1 . 1 93 93 THR N N 15 115.704 0.000 . . . . . . . 98 THR N . 53204 1 375 . 1 . 1 94 94 GLN H H 1 8.270 0.000 . . . . . . . 99 GLN H . 53204 1 376 . 1 . 1 94 94 GLN CA C 13 55.803 0.000 . . . . . . . 99 GLN CA . 53204 1 377 . 1 . 1 94 94 GLN N N 15 123.000 0.000 . . . . . . . 99 GLN N . 53204 1 378 . 1 . 1 95 95 GLY H H 1 8.290 0.000 . . . . . . . 100 GLY H . 53204 1 379 . 1 . 1 95 95 GLY C C 13 174.900 0.000 . . . . . . . 100 GLY C . 53204 1 380 . 1 . 1 95 95 GLY CA C 13 45.100 0.000 . . . . . . . 100 GLY CA . 53204 1 381 . 1 . 1 95 95 GLY N N 15 110.374 0.000 . . . . . . . 100 GLY N . 53204 1 382 . 1 . 1 96 96 VAL H H 1 8.190 0.000 . . . . . . . 101 VAL H . 53204 1 383 . 1 . 1 96 96 VAL C C 13 176.094 0.000 . . . . . . . 101 VAL C . 53204 1 384 . 1 . 1 96 96 VAL CA C 13 62.300 0.000 . . . . . . . 101 VAL CA . 53204 1 385 . 1 . 1 96 96 VAL CB C 13 31.823 0.000 . . . . . . . 101 VAL CB . 53204 1 386 . 1 . 1 96 96 VAL N N 15 120.981 0.000 . . . . . . . 101 VAL N . 53204 1 387 . 1 . 1 97 97 VAL H H 1 8.190 0.000 . . . . . . . 102 VAL H . 53204 1 388 . 1 . 1 97 97 VAL C C 13 176.094 0.000 . . . . . . . 102 VAL C . 53204 1 389 . 1 . 1 97 97 VAL CA C 13 62.300 0.000 . . . . . . . 102 VAL CA . 53204 1 390 . 1 . 1 97 97 VAL CB C 13 31.823 0.000 . . . . . . . 102 VAL CB . 53204 1 391 . 1 . 1 97 97 VAL N N 15 124.219 0.000 . . . . . . . 102 VAL N . 53204 1 392 . 1 . 1 98 98 SER H H 1 8.310 0.000 . . . . . . . 103 SER H . 53204 1 393 . 1 . 1 98 98 SER C C 13 174.600 0.000 . . . . . . . 103 SER C . 53204 1 394 . 1 . 1 98 98 SER CA C 13 58.200 0.000 . . . . . . . 103 SER CA . 53204 1 395 . 1 . 1 98 98 SER N N 15 119.525 0.000 . . . . . . . 103 SER N . 53204 1 396 . 1 . 1 99 99 ALA H H 1 8.150 0.000 . . . . . . . 104 ALA H . 53204 1 397 . 1 . 1 99 99 ALA C C 13 177.584 0.000 . . . . . . . 104 ALA C . 53204 1 398 . 1 . 1 99 99 ALA CA C 13 52.037 0.000 . . . . . . . 104 ALA CA . 53204 1 399 . 1 . 1 99 99 ALA CB C 13 19.000 0.000 . . . . . . . 104 ALA CB . 53204 1 400 . 1 . 1 99 99 ALA N N 15 125.414 0.000 . . . . . . . 104 ALA N . 53204 1 401 . 1 . 1 100 100 PHE H H 1 8.300 0.000 . . . . . . . 105 PHE H . 53204 1 402 . 1 . 1 100 100 PHE C C 13 175.800 0.000 . . . . . . . 105 PHE C . 53204 1 403 . 1 . 1 100 100 PHE CA C 13 58.000 0.000 . . . . . . . 105 PHE CA . 53204 1 404 . 1 . 1 100 100 PHE CB C 13 39.000 0.000 . . . . . . . 105 PHE CB . 53204 1 405 . 1 . 1 100 100 PHE N N 15 120.230 0.000 . . . . . . . 105 PHE N . 53204 1 406 . 1 . 1 101 101 SER H H 1 8.310 0.000 . . . . . . . 106 SER H . 53204 1 407 . 1 . 1 101 101 SER C C 13 174.600 0.000 . . . . . . . 106 SER C . 53204 1 408 . 1 . 1 101 101 SER CA C 13 58.200 0.000 . . . . . . . 106 SER CA . 53204 1 409 . 1 . 1 101 101 SER N N 15 116.951 0.000 . . . . . . . 106 SER N . 53204 1 410 . 1 . 1 102 102 THR H H 1 8.240 0.000 . . . . . . . 107 THR H . 53204 1 411 . 1 . 1 102 102 THR CA C 13 62.100 0.000 . . . . . . . 107 THR CA . 53204 1 412 . 1 . 1 102 102 THR N N 15 117.148 0.000 . . . . . . . 107 THR N . 53204 1 413 . 1 . 1 103 103 MET H H 1 8.290 0.000 . . . . . . . 108 MET H . 53204 1 414 . 1 . 1 103 103 MET C C 13 176.300 0.000 . . . . . . . 108 MET C . 53204 1 415 . 1 . 1 103 103 MET CA C 13 55.300 0.000 . . . . . . . 108 MET CA . 53204 1 416 . 1 . 1 103 103 MET CB C 13 32.600 0.000 . . . . . . . 108 MET CB . 53204 1 417 . 1 . 1 103 103 MET N N 15 122.800 0.000 . . . . . . . 108 MET N . 53204 1 418 . 1 . 1 104 104 MET H H 1 8.290 0.000 . . . . . . . 109 MET H . 53204 1 419 . 1 . 1 104 104 MET C C 13 176.300 0.000 . . . . . . . 109 MET C . 53204 1 420 . 1 . 1 104 104 MET CA C 13 55.300 0.000 . . . . . . . 109 MET CA . 53204 1 421 . 1 . 1 104 104 MET CB C 13 32.600 0.000 . . . . . . . 109 MET CB . 53204 1 422 . 1 . 1 104 104 MET N N 15 121.413 0.000 . . . . . . . 109 MET N . 53204 1 423 . 1 . 1 105 105 SER H H 1 8.310 0.000 . . . . . . . 110 SER H . 53204 1 424 . 1 . 1 105 105 SER CA C 13 58.200 0.000 . . . . . . . 110 SER CA . 53204 1 425 . 1 . 1 105 105 SER CB C 13 63.200 0.000 . . . . . . . 110 SER CB . 53204 1 426 . 1 . 1 105 105 SER N N 15 117.033 0.000 . . . . . . . 110 SER N . 53204 1 427 . 1 . 1 106 106 VAL H H 1 8.190 0.000 . . . . . . . 111 VAL H . 53204 1 428 . 1 . 1 106 106 VAL C C 13 176.094 0.000 . . . . . . . 111 VAL C . 53204 1 429 . 1 . 1 106 106 VAL CA C 13 62.300 0.000 . . . . . . . 111 VAL CA . 53204 1 430 . 1 . 1 106 106 VAL CB C 13 31.823 0.000 . . . . . . . 111 VAL CB . 53204 1 431 . 1 . 1 106 106 VAL N N 15 122.508 0.000 . . . . . . . 111 VAL N . 53204 1 432 . 1 . 1 107 107 HIS H H 1 8.280 0.000 . . . . . . . 112 HIS H . 53204 1 433 . 1 . 1 107 107 HIS N N 15 122.895 0.000 . . . . . . . 112 HIS N . 53204 1 434 . 1 . 1 108 108 ARG H H 1 8.270 0.000 . . . . . . . 113 ARG H . 53204 1 435 . 1 . 1 108 108 ARG C C 13 176.691 0.000 . . . . . . . 113 ARG C . 53204 1 436 . 1 . 1 108 108 ARG CA C 13 56.100 0.000 . . . . . . . 113 ARG CA . 53204 1 437 . 1 . 1 108 108 ARG CB C 13 30.300 0.000 . . . . . . . 113 ARG CB . 53204 1 438 . 1 . 1 108 108 ARG N N 15 121.700 0.000 . . . . . . . 113 ARG N . 53204 1 439 . 1 . 1 109 109 GLY H H 1 8.290 0.000 . . . . . . . 114 GLY H . 53204 1 440 . 1 . 1 109 109 GLY C C 13 174.900 0.000 . . . . . . . 114 GLY C . 53204 1 441 . 1 . 1 109 109 GLY CA C 13 45.100 0.000 . . . . . . . 114 GLY CA . 53204 1 442 . 1 . 1 109 109 GLY N N 15 110.246 0.000 . . . . . . . 114 GLY N . 53204 1 stop_ save_