################################### # 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 53376 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name HBx_1_120_1M_Urea _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 HMQC' . . . 53376 1 2 '3D HNCACB' . . . 53376 1 3 '3D HNCO' . . . 53376 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 . . 53376 1 2 $software_2 . . 53376 1 3 $software_3 . . 53376 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 3 3 ALA C C 13 177.2308 . . 1 . . . . . 3 ALA C . 53376 1 2 . 1 . 1 3 3 ALA CA C 13 52.0012 . . 1 . . . . . 3 ALA CA . 53376 1 3 . 1 . 1 3 3 ALA CB C 13 18.8882 . . 1 . . . . . 3 ALA CB . 53376 1 4 . 1 . 1 4 4 ARG H H 1 8.3092 . . 1 . . . . . 4 ARG H . 53376 1 5 . 1 . 1 4 4 ARG C C 13 175.9816 . . 1 . . . . . 4 ARG C . 53376 1 6 . 1 . 1 4 4 ARG CA C 13 55.7347 . . 1 . . . . . 4 ARG CA . 53376 1 7 . 1 . 1 4 4 ARG CB C 13 30.5661 . . 1 . . . . . 4 ARG CB . 53376 1 8 . 1 . 1 4 4 ARG N N 15 121.4772 . . 1 . . . . . 4 ARG N . 53376 1 9 . 1 . 1 5 5 LEU H H 1 8.2952 . . 1 . . . . . 5 LEU H . 53376 1 10 . 1 . 1 5 5 LEU C C 13 177.0974 . . 1 . . . . . 5 LEU C . 53376 1 11 . 1 . 1 5 5 LEU CA C 13 54.8075 . . 1 . . . . . 5 LEU CA . 53376 1 12 . 1 . 1 5 5 LEU CB C 13 42.0189 . . 1 . . . . . 5 LEU CB . 53376 1 13 . 1 . 1 5 5 LEU N N 15 124.5026 . . 1 . . . . . 5 LEU N . 53376 1 14 . 1 . 1 6 6 CYS H H 1 8.2171 . . 1 . . . . . 6 CYS H . 53376 1 15 . 1 . 1 6 6 CYS C C 13 174.3157 . . 1 . . . . . 6 CYS C . 53376 1 16 . 1 . 1 6 6 CYS CA C 13 58.3943 . . 1 . . . . . 6 CYS CA . 53376 1 17 . 1 . 1 6 6 CYS CB C 13 27.7572 . . 1 . . . . . 6 CYS CB . 53376 1 18 . 1 . 1 6 6 CYS N N 15 120.1599 . . 1 . . . . . 6 CYS N . 53376 1 19 . 1 . 1 7 7 CYS H H 1 8.2408 . . 1 . . . . . 7 CYS H . 53376 1 20 . 1 . 1 7 7 CYS C C 13 174.2393 . . 1 . . . . . 7 CYS C . 53376 1 21 . 1 . 1 7 7 CYS CA C 13 58.4810 . . 1 . . . . . 7 CYS CA . 53376 1 22 . 1 . 1 7 7 CYS CB C 13 27.8309 . . 1 . . . . . 7 CYS CB . 53376 1 23 . 1 . 1 7 7 CYS N N 15 121.7797 . . 1 . . . . . 7 CYS N . 53376 1 24 . 1 . 1 8 8 GLN H H 1 8.3304 . . 1 . . . . . 8 GLN H . 53376 1 25 . 1 . 1 8 8 GLN HE21 H 1 7.3902 . . 1 . . . . . 8 GLN HE21 . 53376 1 26 . 1 . 1 8 8 GLN HE22 H 1 6.7137 . . 1 . . . . . 8 GLN HE22 . 53376 1 27 . 1 . 1 8 8 GLN C C 13 175.3606 . . 1 . . . . . 8 GLN C . 53376 1 28 . 1 . 1 8 8 GLN CA C 13 55.5821 . . 1 . . . . . 8 GLN CA . 53376 1 29 . 1 . 1 8 8 GLN CB C 13 29.0412 . . 1 . . . . . 8 GLN CB . 53376 1 30 . 1 . 1 8 8 GLN N N 15 123.0223 . . 1 . . . . . 8 GLN N . 53376 1 31 . 1 . 1 8 8 GLN NE2 N 15 112.8880 . . 1 . . . . . 8 GLN NE2 . 53376 1 32 . 1 . 1 9 9 LEU H H 1 8.1640 . . 1 . . . . . 9 LEU H . 53376 1 33 . 1 . 1 9 9 LEU C C 13 176.4935 . . 1 . . . . . 9 LEU C . 53376 1 34 . 1 . 1 9 9 LEU CA C 13 54.6298 . . 1 . . . . . 9 LEU CA . 53376 1 35 . 1 . 1 9 9 LEU CB C 13 42.1239 . . 1 . . . . . 9 LEU CB . 53376 1 36 . 1 . 1 9 9 LEU N N 15 123.5984 . . 1 . . . . . 9 LEU N . 53376 1 37 . 1 . 1 10 10 ASP H H 1 8.2973 . . 1 . . . . . 10 ASP H . 53376 1 38 . 1 . 1 10 10 ASP CA C 13 51.7344 . . 1 . . . . . 10 ASP CA . 53376 1 39 . 1 . 1 10 10 ASP CB C 13 40.8204 . . 1 . . . . . 10 ASP CB . 53376 1 40 . 1 . 1 10 10 ASP N N 15 122.7680 . . 1 . . . . . 10 ASP N . 53376 1 41 . 1 . 1 11 11 PRO C C 13 179.0356 . . 1 . . . . . 11 PRO C . 53376 1 42 . 1 . 1 12 12 ALA H H 1 8.1508 . . 1 . . . . . 12 ALA H . 53376 1 43 . 1 . 1 12 12 ALA C C 13 177.7121 . . 1 . . . . . 12 ALA C . 53376 1 44 . 1 . 1 12 12 ALA CA C 13 52.3291 . . 1 . . . . . 12 ALA CA . 53376 1 45 . 1 . 1 12 12 ALA CB C 13 18.7075 . . 1 . . . . . 12 ALA CB . 53376 1 46 . 1 . 1 12 12 ALA N N 15 122.2914 . . 1 . . . . . 12 ALA N . 53376 1 47 . 1 . 1 13 13 ARG H H 1 7.8072 . . 1 . . . . . 13 ARG H . 53376 1 48 . 1 . 1 13 13 ARG C C 13 175.7484 . . 1 . . . . . 13 ARG C . 53376 1 49 . 1 . 1 13 13 ARG CA C 13 55.8427 . . 1 . . . . . 13 ARG CA . 53376 1 50 . 1 . 1 13 13 ARG CB C 13 30.6543 . . 1 . . . . . 13 ARG CB . 53376 1 51 . 1 . 1 13 13 ARG N N 15 119.1752 . . 1 . . . . . 13 ARG N . 53376 1 52 . 1 . 1 14 14 ASP H H 1 8.1231 . . 1 . . . . . 14 ASP H . 53376 1 53 . 1 . 1 14 14 ASP C C 13 176.0419 . . 1 . . . . . 14 ASP C . 53376 1 54 . 1 . 1 14 14 ASP CA C 13 54.0741 . . 1 . . . . . 14 ASP CA . 53376 1 55 . 1 . 1 14 14 ASP CB C 13 40.8057 . . 1 . . . . . 14 ASP CB . 53376 1 56 . 1 . 1 14 14 ASP N N 15 121.1283 . . 1 . . . . . 14 ASP N . 53376 1 57 . 1 . 1 15 15 VAL H H 1 7.8527 . . 1 . . . . . 15 VAL H . 53376 1 58 . 1 . 1 15 15 VAL C C 13 176.0387 . . 1 . . . . . 15 VAL C . 53376 1 59 . 1 . 1 15 15 VAL CA C 13 62.2159 . . 1 . . . . . 15 VAL CA . 53376 1 60 . 1 . 1 15 15 VAL CB C 13 32.1601 . . 1 . . . . . 15 VAL CB . 53376 1 61 . 1 . 1 15 15 VAL N N 15 120.0072 . . 1 . . . . . 15 VAL N . 53376 1 62 . 1 . 1 16 16 LEU H H 1 8.1280 . . 1 . . . . . 16 LEU H . 53376 1 63 . 1 . 1 16 16 LEU C C 13 176.8894 . . 1 . . . . . 16 LEU C . 53376 1 64 . 1 . 1 16 16 LEU CA C 13 54.9666 . . 1 . . . . . 16 LEU CA . 53376 1 65 . 1 . 1 16 16 LEU CB C 13 41.7510 . . 1 . . . . . 16 LEU CB . 53376 1 66 . 1 . 1 16 16 LEU N N 15 124.8095 . . 1 . . . . . 16 LEU N . 53376 1 67 . 1 . 1 17 17 CYS H H 1 8.0821 . . 1 . . . . . 17 CYS H . 53376 1 68 . 1 . 1 17 17 CYS C C 13 174.1163 . . 1 . . . . . 17 CYS C . 53376 1 69 . 1 . 1 17 17 CYS CA C 13 58.2046 . . 1 . . . . . 17 CYS CA . 53376 1 70 . 1 . 1 17 17 CYS CB C 13 27.4763 . . 1 . . . . . 17 CYS CB . 53376 1 71 . 1 . 1 17 17 CYS N N 15 120.4882 . . 1 . . . . . 17 CYS N . 53376 1 72 . 1 . 1 18 18 LEU H H 1 8.1684 . . 1 . . . . . 18 LEU H . 53376 1 73 . 1 . 1 18 18 LEU C C 13 176.1366 . . 1 . . . . . 18 LEU C . 53376 1 74 . 1 . 1 18 18 LEU CA C 13 54.7526 . . 1 . . . . . 18 LEU CA . 53376 1 75 . 1 . 1 18 18 LEU CB C 13 41.9596 . . 1 . . . . . 18 LEU CB . 53376 1 76 . 1 . 1 18 18 LEU N N 15 124.9910 . . 1 . . . . . 18 LEU N . 53376 1 77 . 1 . 1 19 19 ARG H H 1 8.1144 . . 1 . . . . . 19 ARG H . 53376 1 78 . 1 . 1 19 19 ARG CA C 13 55.7506 . . 1 . . . . . 19 ARG CA . 53376 1 79 . 1 . 1 19 19 ARG CB C 13 30.3661 . . 1 . . . . . 19 ARG CB . 53376 1 80 . 1 . 1 19 19 ARG N N 15 123.3252 . . 1 . . . . . 19 ARG N . 53376 1 81 . 1 . 1 20 20 PRO C C 13 176.5951 . . 1 . . . . . 20 PRO C . 53376 1 82 . 1 . 1 20 20 PRO CA C 13 62.7037 . . 1 . . . . . 20 PRO CA . 53376 1 83 . 1 . 1 20 20 PRO CB C 13 31.8067 . . 1 . . . . . 20 PRO CB . 53376 1 84 . 1 . 1 21 21 VAL H H 1 8.1978 . . 1 . . . . . 21 VAL H . 53376 1 85 . 1 . 1 21 21 VAL C C 13 176.6726 . . 1 . . . . . 21 VAL C . 53376 1 86 . 1 . 1 21 21 VAL CA C 13 62.4133 . . 1 . . . . . 21 VAL CA . 53376 1 87 . 1 . 1 21 21 VAL CB C 13 32.3860 . . 1 . . . . . 21 VAL CB . 53376 1 88 . 1 . 1 21 21 VAL N N 15 121.0404 . . 1 . . . . . 21 VAL N . 53376 1 89 . 1 . 1 22 22 GLY H H 1 8.3894 . . 1 . . . . . 22 GLY H . 53376 1 90 . 1 . 1 22 22 GLY C C 13 173.7243 . . 1 . . . . . 22 GLY C . 53376 1 91 . 1 . 1 22 22 GLY CA C 13 44.7974 . . 1 . . . . . 22 GLY CA . 53376 1 92 . 1 . 1 22 22 GLY N N 15 112.9755 . . 1 . . . . . 22 GLY N . 53376 1 93 . 1 . 1 23 23 ALA H H 1 8.0459 . . 1 . . . . . 23 ALA H . 53376 1 94 . 1 . 1 23 23 ALA C C 13 177.7700 . . 1 . . . . . 23 ALA C . 53376 1 95 . 1 . 1 23 23 ALA CA C 13 52.3677 . . 1 . . . . . 23 ALA CA . 53376 1 96 . 1 . 1 23 23 ALA CB C 13 19.0174 . . 1 . . . . . 23 ALA CB . 53376 1 97 . 1 . 1 23 23 ALA N N 15 123.8390 . . 1 . . . . . 23 ALA N . 53376 1 98 . 1 . 1 24 24 GLU H H 1 8.4233 . . 1 . . . . . 24 GLU H . 53376 1 99 . 1 . 1 24 24 GLU C C 13 176.5260 . . 1 . . . . . 24 GLU C . 53376 1 100 . 1 . 1 24 24 GLU CA C 13 56.4864 . . 1 . . . . . 24 GLU CA . 53376 1 101 . 1 . 1 24 24 GLU CB C 13 29.6804 . . 1 . . . . . 24 GLU CB . 53376 1 102 . 1 . 1 24 24 GLU N N 15 119.7311 . . 1 . . . . . 24 GLU N . 53376 1 103 . 1 . 1 25 25 SER H H 1 8.1970 . . 1 . . . . . 25 SER H . 53376 1 104 . 1 . 1 25 25 SER C C 13 174.3369 . . 1 . . . . . 25 SER C . 53376 1 105 . 1 . 1 25 25 SER CA C 13 58.1614 . . 1 . . . . . 25 SER CA . 53376 1 106 . 1 . 1 25 25 SER CB C 13 63.4564 . . 1 . . . . . 25 SER CB . 53376 1 107 . 1 . 1 25 25 SER N N 15 116.5136 . . 1 . . . . . 25 SER N . 53376 1 108 . 1 . 1 26 26 CYS H H 1 8.1942 . . 1 . . . . . 26 CYS H . 53376 1 109 . 1 . 1 26 26 CYS C C 13 174.7623 . . 1 . . . . . 26 CYS C . 53376 1 110 . 1 . 1 26 26 CYS CA C 13 58.4522 . . 1 . . . . . 26 CYS CA . 53376 1 111 . 1 . 1 26 26 CYS CB C 13 27.8935 . . 1 . . . . . 26 CYS CB . 53376 1 112 . 1 . 1 26 26 CYS N N 15 120.7852 . . 1 . . . . . 26 CYS N . 53376 1 113 . 1 . 1 27 27 GLY H H 1 8.2752 . . 1 . . . . . 27 GLY H . 53376 1 114 . 1 . 1 27 27 GLY C C 13 173.3061 . . 1 . . . . . 27 GLY C . 53376 1 115 . 1 . 1 27 27 GLY CA C 13 44.8326 . . 1 . . . . . 27 GLY CA . 53376 1 116 . 1 . 1 27 27 GLY N N 15 110.8497 . . 1 . . . . . 27 GLY N . 53376 1 117 . 1 . 1 28 28 ARG H H 1 8.0071 . . 1 . . . . . 28 ARG H . 53376 1 118 . 1 . 1 28 28 ARG CA C 13 53.6921 . . 1 . . . . . 28 ARG CA . 53376 1 119 . 1 . 1 28 28 ARG CB C 13 29.8391 . . 1 . . . . . 28 ARG CB . 53376 1 120 . 1 . 1 28 28 ARG N N 15 121.5677 . . 1 . . . . . 28 ARG N . 53376 1 121 . 1 . 1 29 29 PRO C C 13 176.3050 . . 1 . . . . . 29 PRO C . 53376 1 122 . 1 . 1 29 29 PRO CA C 13 62.7693 . . 1 . . . . . 29 PRO CA . 53376 1 123 . 1 . 1 29 29 PRO CB C 13 31.7257 . . 1 . . . . . 29 PRO CB . 53376 1 124 . 1 . 1 30 30 PHE H H 1 8.3073 . . 1 . . . . . 30 PHE H . 53376 1 125 . 1 . 1 30 30 PHE C C 13 175.6955 . . 1 . . . . . 30 PHE C . 53376 1 126 . 1 . 1 30 30 PHE CA C 13 57.6656 . . 1 . . . . . 30 PHE CA . 53376 1 127 . 1 . 1 30 30 PHE CB C 13 39.1047 . . 1 . . . . . 30 PHE CB . 53376 1 128 . 1 . 1 30 30 PHE N N 15 121.0283 . . 1 . . . . . 30 PHE N . 53376 1 129 . 1 . 1 31 31 SER H H 1 8.1217 . . 1 . . . . . 31 SER H . 53376 1 130 . 1 . 1 31 31 SER C C 13 174.3373 . . 1 . . . . . 31 SER C . 53376 1 131 . 1 . 1 31 31 SER CA C 13 57.8345 . . 1 . . . . . 31 SER CA . 53376 1 132 . 1 . 1 31 31 SER CB C 13 63.5315 . . 1 . . . . . 31 SER CB . 53376 1 133 . 1 . 1 31 31 SER N N 15 118.4557 . . 1 . . . . . 31 SER N . 53376 1 134 . 1 . 1 32 32 GLY H H 1 7.5073 . . 1 . . . . . 32 GLY H . 53376 1 135 . 1 . 1 32 32 GLY C C 13 173.6682 . . 1 . . . . . 32 GLY C . 53376 1 136 . 1 . 1 32 32 GLY CA C 13 44.9194 . . 1 . . . . . 32 GLY CA . 53376 1 137 . 1 . 1 32 32 GLY N N 15 110.2617 . . 1 . . . . . 32 GLY N . 53376 1 138 . 1 . 1 33 33 SER H H 1 8.0521 . . 1 . . . . . 33 SER H . 53376 1 139 . 1 . 1 33 33 SER C C 13 174.5183 . . 1 . . . . . 33 SER C . 53376 1 140 . 1 . 1 33 33 SER CA C 13 58.0046 . . 1 . . . . . 33 SER CA . 53376 1 141 . 1 . 1 33 33 SER CB C 13 63.5221 . . 1 . . . . . 33 SER CB . 53376 1 142 . 1 . 1 33 33 SER N N 15 115.4977 . . 1 . . . . . 33 SER N . 53376 1 143 . 1 . 1 34 34 LEU H H 1 8.2537 . . 1 . . . . . 34 LEU H . 53376 1 144 . 1 . 1 34 34 LEU C C 13 177.7116 . . 1 . . . . . 34 LEU C . 53376 1 145 . 1 . 1 34 34 LEU CA C 13 55.1402 . . 1 . . . . . 34 LEU CA . 53376 1 146 . 1 . 1 34 34 LEU CB C 13 41.9044 . . 1 . . . . . 34 LEU CB . 53376 1 147 . 1 . 1 34 34 LEU N N 15 124.0522 . . 1 . . . . . 34 LEU N . 53376 1 148 . 1 . 1 35 35 GLY H H 1 8.2198 . . 1 . . . . . 35 GLY H . 53376 1 149 . 1 . 1 35 35 GLY C C 13 173.9869 . . 1 . . . . . 35 GLY C . 53376 1 150 . 1 . 1 35 35 GLY CA C 13 44.9560 . . 1 . . . . . 35 GLY CA . 53376 1 151 . 1 . 1 35 35 GLY N N 15 109.2674 . . 1 . . . . . 35 GLY N . 53376 1 152 . 1 . 1 36 36 THR H H 1 7.8670 . . 1 . . . . . 36 THR H . 53376 1 153 . 1 . 1 36 36 THR C C 13 174.4494 . . 1 . . . . . 36 THR C . 53376 1 154 . 1 . 1 36 36 THR CA C 13 61.5464 . . 1 . . . . . 36 THR CA . 53376 1 155 . 1 . 1 36 36 THR CB C 13 69.6061 . . 1 . . . . . 36 THR CB . 53376 1 156 . 1 . 1 36 36 THR N N 15 113.7183 . . 1 . . . . . 36 THR N . 53376 1 157 . 1 . 1 37 37 LEU H H 1 8.1771 . . 1 . . . . . 37 LEU H . 53376 1 158 . 1 . 1 37 37 LEU C C 13 177.1257 . . 1 . . . . . 37 LEU C . 53376 1 159 . 1 . 1 37 37 LEU CA C 13 54.9037 . . 1 . . . . . 37 LEU CA . 53376 1 160 . 1 . 1 37 37 LEU CB C 13 41.9543 . . 1 . . . . . 37 LEU CB . 53376 1 161 . 1 . 1 37 37 LEU N N 15 124.4477 . . 1 . . . . . 37 LEU N . 53376 1 162 . 1 . 1 38 38 SER H H 1 8.1321 . . 1 . . . . . 38 SER H . 53376 1 163 . 1 . 1 38 38 SER C C 13 173.7867 . . 1 . . . . . 38 SER C . 53376 1 164 . 1 . 1 38 38 SER CA C 13 57.9051 . . 1 . . . . . 38 SER CA . 53376 1 165 . 1 . 1 38 38 SER CB C 13 63.5268 . . 1 . . . . . 38 SER CB . 53376 1 166 . 1 . 1 38 38 SER N N 15 116.6733 . . 1 . . . . . 38 SER N . 53376 1 167 . 1 . 1 39 39 SER H H 1 8.1287 . . 1 . . . . . 39 SER H . 53376 1 168 . 1 . 1 39 39 SER CA C 13 56.1052 . . 1 . . . . . 39 SER CA . 53376 1 169 . 1 . 1 39 39 SER CB C 13 62.9212 . . 1 . . . . . 39 SER CB . 53376 1 170 . 1 . 1 39 39 SER N N 15 118.7560 . . 1 . . . . . 39 SER N . 53376 1 171 . 1 . 1 40 40 PRO C C 13 176.4593 . . 1 . . . . . 40 PRO C . 53376 1 172 . 1 . 1 40 40 PRO CB C 13 31.7684 . . 1 . . . . . 40 PRO CB . 53376 1 173 . 1 . 1 41 41 SER H H 1 8.3376 . . 1 . . . . . 41 SER H . 53376 1 174 . 1 . 1 41 41 SER CA C 13 56.1360 . . 1 . . . . . 41 SER CA . 53376 1 175 . 1 . 1 41 41 SER CB C 13 62.9295 . . 1 . . . . . 41 SER CB . 53376 1 176 . 1 . 1 41 41 SER N N 15 117.9269 . . 1 . . . . . 41 SER N . 53376 1 177 . 1 . 1 42 42 PRO C C 13 176.6260 . . 1 . . . . . 42 PRO C . 53376 1 178 . 1 . 1 42 42 PRO CA C 13 62.9324 . . 1 . . . . . 42 PRO CA . 53376 1 179 . 1 . 1 42 42 PRO CB C 13 31.7724 . . 1 . . . . . 42 PRO CB . 53376 1 180 . 1 . 1 43 43 SER H H 1 8.1601 . . 1 . . . . . 43 SER H . 53376 1 181 . 1 . 1 43 43 SER C C 13 173.8603 . . 1 . . . . . 43 SER C . 53376 1 182 . 1 . 1 43 43 SER CA C 13 57.9072 . . 1 . . . . . 43 SER CA . 53376 1 183 . 1 . 1 43 43 SER CB C 13 63.4739 . . 1 . . . . . 43 SER CB . 53376 1 184 . 1 . 1 43 43 SER N N 15 115.7307 . . 1 . . . . . 43 SER N . 53376 1 185 . 1 . 1 44 44 ALA H H 1 8.1328 . . 1 . . . . . 44 ALA H . 53376 1 186 . 1 . 1 44 44 ALA C C 13 177.0939 . . 1 . . . . . 44 ALA C . 53376 1 187 . 1 . 1 44 44 ALA CA C 13 51.9942 . . 1 . . . . . 44 ALA CA . 53376 1 188 . 1 . 1 44 44 ALA CB C 13 18.9962 . . 1 . . . . . 44 ALA CB . 53376 1 189 . 1 . 1 44 44 ALA N N 15 126.1889 . . 1 . . . . . 44 ALA N . 53376 1 190 . 1 . 1 45 45 VAL H H 1 7.9849 . . 1 . . . . . 45 VAL H . 53376 1 191 . 1 . 1 45 45 VAL CA C 13 59.5870 . . 1 . . . . . 45 VAL CA . 53376 1 192 . 1 . 1 45 45 VAL CB C 13 32.1795 . . 1 . . . . . 45 VAL CB . 53376 1 193 . 1 . 1 45 45 VAL N N 15 121.1423 . . 1 . . . . . 45 VAL N . 53376 1 194 . 1 . 1 46 46 PRO C C 13 176.7464 . . 1 . . . . . 46 PRO C . 53376 1 195 . 1 . 1 46 46 PRO CA C 13 62.9187 . . 1 . . . . . 46 PRO CA . 53376 1 196 . 1 . 1 46 46 PRO CB C 13 31.9526 . . 1 . . . . . 46 PRO CB . 53376 1 197 . 1 . 1 47 47 THR H H 1 8.1160 . . 1 . . . . . 47 THR H . 53376 1 198 . 1 . 1 47 47 THR C C 13 176.6352 . . 1 . . . . . 47 THR C . 53376 1 199 . 1 . 1 47 47 THR CA C 13 61.6964 . . 1 . . . . . 47 THR CA . 53376 1 200 . 1 . 1 47 47 THR CB C 13 69.4904 . . 1 . . . . . 47 THR CB . 53376 1 201 . 1 . 1 47 47 THR N N 15 114.5830 . . 1 . . . . . 47 THR N . 53376 1 202 . 1 . 1 48 48 ASP H H 1 8.1742 . . 1 . . . . . 48 ASP H . 53376 1 203 . 1 . 1 48 48 ASP C C 13 175.8756 . . 1 . . . . . 48 ASP C . 53376 1 204 . 1 . 1 48 48 ASP CA C 13 53.5631 . . 1 . . . . . 48 ASP CA . 53376 1 205 . 1 . 1 48 48 ASP CB C 13 40.6991 . . 1 . . . . . 48 ASP CB . 53376 1 206 . 1 . 1 48 48 ASP N N 15 122.4784 . . 1 . . . . . 48 ASP N . 53376 1 207 . 1 . 1 49 49 HIS H H 1 8.1450 . . 1 . . . . . 49 HIS H . 53376 1 208 . 1 . 1 49 49 HIS C C 13 175.8226 . . 1 . . . . . 49 HIS C . 53376 1 209 . 1 . 1 49 49 HIS CA C 13 56.5719 . . 1 . . . . . 49 HIS CA . 53376 1 210 . 1 . 1 49 49 HIS CB C 13 30.2132 . . 1 . . . . . 49 HIS CB . 53376 1 211 . 1 . 1 49 49 HIS N N 15 120.8915 . . 1 . . . . . 49 HIS N . 53376 1 212 . 1 . 1 50 50 GLY H H 1 8.2489 . . 1 . . . . . 50 GLY H . 53376 1 213 . 1 . 1 50 50 GLY C C 13 174.0146 . . 1 . . . . . 50 GLY C . 53376 1 214 . 1 . 1 50 50 GLY CA C 13 45.0962 . . 1 . . . . . 50 GLY CA . 53376 1 215 . 1 . 1 50 50 GLY N N 15 109.3094 . . 1 . . . . . 50 GLY N . 53376 1 216 . 1 . 1 51 51 ALA H H 1 7.9547 . . 1 . . . . . 51 ALA H . 53376 1 217 . 1 . 1 51 51 ALA C C 13 177.5060 . . 1 . . . . . 51 ALA C . 53376 1 218 . 1 . 1 51 51 ALA CA C 13 52.6192 . . 1 . . . . . 51 ALA CA . 53376 1 219 . 1 . 1 51 51 ALA CB C 13 18.6657 . . 1 . . . . . 51 ALA CB . 53376 1 220 . 1 . 1 51 51 ALA N N 15 123.6427 . . 1 . . . . . 51 ALA N . 53376 1 221 . 1 . 1 52 52 HIS H H 1 8.1417 . . 1 . . . . . 52 HIS H . 53376 1 222 . 1 . 1 52 52 HIS C C 13 175.4261 . . 1 . . . . . 52 HIS C . 53376 1 223 . 1 . 1 52 52 HIS CA C 13 56.2768 . . 1 . . . . . 52 HIS CA . 53376 1 224 . 1 . 1 52 52 HIS CB C 13 30.1145 . . 1 . . . . . 52 HIS CB . 53376 1 225 . 1 . 1 52 52 HIS N N 15 118.0478 . . 1 . . . . . 52 HIS N . 53376 1 226 . 1 . 1 53 53 LEU H H 1 7.8182 . . 1 . . . . . 53 LEU H . 53376 1 227 . 1 . 1 53 53 LEU C C 13 177.1825 . . 1 . . . . . 53 LEU C . 53376 1 228 . 1 . 1 53 53 LEU CA C 13 55.0278 . . 1 . . . . . 53 LEU CA . 53376 1 229 . 1 . 1 53 53 LEU CB C 13 41.8067 . . 1 . . . . . 53 LEU CB . 53376 1 230 . 1 . 1 53 53 LEU N N 15 122.9436 . . 1 . . . . . 53 LEU N . 53376 1 231 . 1 . 1 54 54 SER H H 1 8.1616 . . 1 . . . . . 54 SER H . 53376 1 232 . 1 . 1 54 54 SER C C 13 174.5316 . . 1 . . . . . 54 SER C . 53376 1 233 . 1 . 1 54 54 SER CA C 13 58.0924 . . 1 . . . . . 54 SER CA . 53376 1 234 . 1 . 1 54 54 SER CB C 13 63.3904 . . 1 . . . . . 54 SER CB . 53376 1 235 . 1 . 1 54 54 SER N N 15 116.2261 . . 1 . . . . . 54 SER N . 53376 1 236 . 1 . 1 55 55 LEU H H 1 8.1068 . . 1 . . . . . 55 LEU H . 53376 1 237 . 1 . 1 55 55 LEU C C 13 177.2386 . . 1 . . . . . 55 LEU C . 53376 1 238 . 1 . 1 55 55 LEU CA C 13 55.0303 . . 1 . . . . . 55 LEU CA . 53376 1 239 . 1 . 1 55 55 LEU CB C 13 41.7319 . . 1 . . . . . 55 LEU CB . 53376 1 240 . 1 . 1 55 55 LEU N N 15 123.8226 . . 1 . . . . . 55 LEU N . 53376 1 241 . 1 . 1 56 56 ARG H H 1 8.0385 . . 1 . . . . . 56 ARG H . 53376 1 242 . 1 . 1 56 56 ARG C C 13 176.3937 . . 1 . . . . . 56 ARG C . 53376 1 243 . 1 . 1 56 56 ARG CA C 13 55.9938 . . 1 . . . . . 56 ARG CA . 53376 1 244 . 1 . 1 56 56 ARG CB C 13 30.3027 . . 1 . . . . . 56 ARG CB . 53376 1 245 . 1 . 1 56 56 ARG N N 15 120.6317 . . 1 . . . . . 56 ARG N . 53376 1 246 . 1 . 1 57 57 GLY H H 1 8.1578 . . 1 . . . . . 57 GLY H . 53376 1 247 . 1 . 1 57 57 GLY C C 13 173.3737 . . 1 . . . . . 57 GLY C . 53376 1 248 . 1 . 1 57 57 GLY CA C 13 44.6921 . . 1 . . . . . 57 GLY CA . 53376 1 249 . 1 . 1 57 57 GLY N N 15 109.3984 . . 1 . . . . . 57 GLY N . 53376 1 250 . 1 . 1 58 58 LEU H H 1 7.8325 . . 1 . . . . . 58 LEU H . 53376 1 251 . 1 . 1 58 58 LEU CA C 13 52.6468 . . 1 . . . . . 58 LEU CA . 53376 1 252 . 1 . 1 58 58 LEU CB C 13 41.2828 . . 1 . . . . . 58 LEU CB . 53376 1 253 . 1 . 1 58 58 LEU N N 15 122.4402 . . 1 . . . . . 58 LEU N . 53376 1 254 . 1 . 1 59 59 PRO C C 13 176.5674 . . 1 . . . . . 59 PRO C . 53376 1 255 . 1 . 1 59 59 PRO CA C 13 62.4913 . . 1 . . . . . 59 PRO CA . 53376 1 256 . 1 . 1 59 59 PRO CB C 13 31.6799 . . 1 . . . . . 59 PRO CB . 53376 1 257 . 1 . 1 60 60 VAL H H 1 8.1288 . . 1 . . . . . 60 VAL H . 53376 1 258 . 1 . 1 60 60 VAL C C 13 175.9134 . . 1 . . . . . 60 VAL C . 53376 1 259 . 1 . 1 60 60 VAL CA C 13 62.1891 . . 1 . . . . . 60 VAL CA . 53376 1 260 . 1 . 1 60 60 VAL CB C 13 32.3946 . . 1 . . . . . 60 VAL CB . 53376 1 261 . 1 . 1 60 60 VAL N N 15 120.7150 . . 1 . . . . . 60 VAL N . 53376 1 262 . 1 . 1 61 61 CYS H H 1 8.2359 . . 1 . . . . . 61 CYS H . 53376 1 263 . 1 . 1 61 61 CYS C C 13 174.0454 . . 1 . . . . . 61 CYS C . 53376 1 264 . 1 . 1 61 61 CYS CA C 13 58.0892 . . 1 . . . . . 61 CYS CA . 53376 1 265 . 1 . 1 61 61 CYS CB C 13 27.9934 . . 1 . . . . . 61 CYS CB . 53376 1 266 . 1 . 1 61 61 CYS N N 15 123.4788 . . 1 . . . . . 61 CYS N . 53376 1 267 . 1 . 1 62 62 ALA H H 1 8.2689 . . 1 . . . . . 62 ALA H . 53376 1 268 . 1 . 1 62 62 ALA C C 13 177.0080 . . 1 . . . . . 62 ALA C . 53376 1 269 . 1 . 1 62 62 ALA CA C 13 52.3646 . . 1 . . . . . 62 ALA CA . 53376 1 270 . 1 . 1 62 62 ALA CB C 13 18.8851 . . 1 . . . . . 62 ALA CB . 53376 1 271 . 1 . 1 62 62 ALA N N 15 127.2757 . . 1 . . . . . 62 ALA N . 53376 1 272 . 1 . 1 63 63 PHE H H 1 8.0936 . . 1 . . . . . 63 PHE H . 53376 1 273 . 1 . 1 63 63 PHE C C 13 175.4902 . . 1 . . . . . 63 PHE C . 53376 1 274 . 1 . 1 63 63 PHE CA C 13 57.5704 . . 1 . . . . . 63 PHE CA . 53376 1 275 . 1 . 1 63 63 PHE CB C 13 39.3420 . . 1 . . . . . 63 PHE CB . 53376 1 276 . 1 . 1 63 63 PHE N N 15 119.3000 . . 1 . . . . . 63 PHE N . 53376 1 277 . 1 . 1 64 64 SER H H 1 8.0296 . . 1 . . . . . 64 SER H . 53376 1 278 . 1 . 1 64 64 SER C C 13 174.1551 . . 1 . . . . . 64 SER C . 53376 1 279 . 1 . 1 64 64 SER CA C 13 57.6065 . . 1 . . . . . 64 SER CA . 53376 1 280 . 1 . 1 64 64 SER CB C 13 63.7437 . . 1 . . . . . 64 SER CB . 53376 1 281 . 1 . 1 64 64 SER N N 15 117.3340 . . 1 . . . . . 64 SER N . 53376 1 282 . 1 . 1 65 65 SER H H 1 8.2174 . . 1 . . . . . 65 SER H . 53376 1 283 . 1 . 1 65 65 SER C C 13 173.8206 . . 1 . . . . . 65 SER C . 53376 1 284 . 1 . 1 65 65 SER CA C 13 58.1327 . . 1 . . . . . 65 SER CA . 53376 1 285 . 1 . 1 65 65 SER CB C 13 63.4481 . . 1 . . . . . 65 SER CB . 53376 1 286 . 1 . 1 65 65 SER N N 15 118.2370 . . 1 . . . . . 65 SER N . 53376 1 287 . 1 . 1 66 66 ALA H H 1 8.0912 . . 1 . . . . . 66 ALA H . 53376 1 288 . 1 . 1 66 66 ALA C C 13 177.4483 . . 1 . . . . . 66 ALA C . 53376 1 289 . 1 . 1 66 66 ALA CA C 13 52.1704 . . 1 . . . . . 66 ALA CA . 53376 1 290 . 1 . 1 66 66 ALA CB C 13 19.1854 . . 1 . . . . . 66 ALA CB . 53376 1 291 . 1 . 1 66 66 ALA N N 15 125.4155 . . 1 . . . . . 66 ALA N . 53376 1 292 . 1 . 1 67 67 GLY H H 1 7.9448 . . 1 . . . . . 67 GLY H . 53376 1 293 . 1 . 1 67 67 GLY CA C 13 44.1938 . . 1 . . . . . 67 GLY CA . 53376 1 294 . 1 . 1 67 67 GLY N N 15 107.9498 . . 1 . . . . . 67 GLY N . 53376 1 295 . 1 . 1 68 68 PRO C C 13 176.9248 . . 1 . . . . . 68 PRO C . 53376 1 296 . 1 . 1 68 68 PRO CA C 13 62.9780 . . 1 . . . . . 68 PRO CA . 53376 1 297 . 1 . 1 68 68 PRO CB C 13 31.7796 . . 1 . . . . . 68 PRO CB . 53376 1 298 . 1 . 1 69 69 CYS H H 1 8.3058 . . 1 . . . . . 69 CYS H . 53376 1 299 . 1 . 1 69 69 CYS C C 13 174.4266 . . 1 . . . . . 69 CYS C . 53376 1 300 . 1 . 1 69 69 CYS CA C 13 58.5670 . . 1 . . . . . 69 CYS CA . 53376 1 301 . 1 . 1 69 69 CYS CB C 13 27.7909 . . 1 . . . . . 69 CYS CB . 53376 1 302 . 1 . 1 69 69 CYS N N 15 120.0649 . . 1 . . . . . 69 CYS N . 53376 1 303 . 1 . 1 70 70 ALA H H 1 8.1756 . . 1 . . . . . 70 ALA H . 53376 1 304 . 1 . 1 70 70 ALA C C 13 177.4680 . . 1 . . . . . 70 ALA C . 53376 1 305 . 1 . 1 70 70 ALA CA C 13 52.4712 . . 1 . . . . . 70 ALA CA . 53376 1 306 . 1 . 1 70 70 ALA CB C 13 18.8423 . . 1 . . . . . 70 ALA CB . 53376 1 307 . 1 . 1 70 70 ALA N N 15 126.4715 . . 1 . . . . . 70 ALA N . 53376 1 308 . 1 . 1 71 71 LEU H H 1 8.0379 . . 1 . . . . . 71 LEU H . 53376 1 309 . 1 . 1 71 71 LEU C C 13 177.1141 . . 1 . . . . . 71 LEU C . 53376 1 310 . 1 . 1 71 71 LEU CA C 13 54.9946 . . 1 . . . . . 71 LEU CA . 53376 1 311 . 1 . 1 71 71 LEU CB C 13 41.8718 . . 1 . . . . . 71 LEU CB . 53376 1 312 . 1 . 1 71 71 LEU N N 15 121.1426 . . 1 . . . . . 71 LEU N . 53376 1 313 . 1 . 1 72 72 ARG H H 1 7.9855 . . 1 . . . . . 72 ARG H . 53376 1 314 . 1 . 1 72 72 ARG C C 13 175.6450 . . 1 . . . . . 72 ARG C . 53376 1 315 . 1 . 1 72 72 ARG CA C 13 55.8033 . . 1 . . . . . 72 ARG CA . 53376 1 316 . 1 . 1 72 72 ARG CB C 13 30.4992 . . 1 . . . . . 72 ARG CB . 53376 1 317 . 1 . 1 72 72 ARG N N 15 121.1342 . . 1 . . . . . 72 ARG N . 53376 1 318 . 1 . 1 73 73 PHE H H 1 8.0832 . . 1 . . . . . 73 PHE H . 53376 1 319 . 1 . 1 73 73 PHE C C 13 175.6214 . . 1 . . . . . 73 PHE C . 53376 1 320 . 1 . 1 73 73 PHE CA C 13 57.3130 . . 1 . . . . . 73 PHE CA . 53376 1 321 . 1 . 1 73 73 PHE CB C 13 39.3072 . . 1 . . . . . 73 PHE CB . 53376 1 322 . 1 . 1 73 73 PHE N N 15 120.9153 . . 1 . . . . . 73 PHE N . 53376 1 323 . 1 . 1 74 74 THR H H 1 7.9288 . . 1 . . . . . 74 THR H . 53376 1 324 . 1 . 1 74 74 THR C C 13 173.9694 . . 1 . . . . . 74 THR C . 53376 1 325 . 1 . 1 74 74 THR CA C 13 61.3308 . . 1 . . . . . 74 THR CA . 53376 1 326 . 1 . 1 74 74 THR CB C 13 69.6228 . . 1 . . . . . 74 THR CB . 53376 1 327 . 1 . 1 74 74 THR N N 15 115.6183 . . 1 . . . . . 74 THR N . 53376 1 328 . 1 . 1 75 75 SER H H 1 8.1377 . . 1 . . . . . 75 SER H . 53376 1 329 . 1 . 1 75 75 SER C C 13 173.9808 . . 1 . . . . . 75 SER C . 53376 1 330 . 1 . 1 75 75 SER CA C 13 58.0302 . . 1 . . . . . 75 SER CA . 53376 1 331 . 1 . 1 75 75 SER CB C 13 63.4839 . . 1 . . . . . 75 SER CB . 53376 1 332 . 1 . 1 75 75 SER N N 15 118.0393 . . 1 . . . . . 75 SER N . 53376 1 333 . 1 . 1 76 76 ALA H H 1 8.1693 . . 1 . . . . . 76 ALA H . 53376 1 334 . 1 . 1 76 76 ALA C C 13 177.4031 . . 1 . . . . . 76 ALA C . 53376 1 335 . 1 . 1 76 76 ALA CA C 13 52.3684 . . 1 . . . . . 76 ALA CA . 53376 1 336 . 1 . 1 76 76 ALA CB C 13 18.8284 . . 1 . . . . . 76 ALA CB . 53376 1 337 . 1 . 1 76 76 ALA N N 15 125.8546 . . 1 . . . . . 76 ALA N . 53376 1 338 . 1 . 1 77 77 ARG H H 1 8.0639 . . 1 . . . . . 77 ARG H . 53376 1 339 . 1 . 1 77 77 ARG C C 13 176.0236 . . 1 . . . . . 77 ARG C . 53376 1 340 . 1 . 1 77 77 ARG CA C 13 55.8916 . . 1 . . . . . 77 ARG CA . 53376 1 341 . 1 . 1 77 77 ARG CB C 13 30.3559 . . 1 . . . . . 77 ARG CB . 53376 1 342 . 1 . 1 77 77 ARG N N 15 120.3331 . . 1 . . . . . 77 ARG N . 53376 1 343 . 1 . 1 78 78 ARG H H 1 8.2297 . . 1 . . . . . 78 ARG H . 53376 1 344 . 1 . 1 78 78 ARG C C 13 176.0418 . . 1 . . . . . 78 ARG C . 53376 1 345 . 1 . 1 78 78 ARG CA C 13 55.8878 . . 1 . . . . . 78 ARG CA . 53376 1 346 . 1 . 1 78 78 ARG CB C 13 30.3636 . . 1 . . . . . 78 ARG CB . 53376 1 347 . 1 . 1 78 78 ARG N N 15 122.9094 . . 1 . . . . . 78 ARG N . 53376 1 348 . 1 . 1 79 79 MET H H 1 8.3333 . . 1 . . . . . 79 MET H . 53376 1 349 . 1 . 1 79 79 MET C C 13 175.9828 . . 1 . . . . . 79 MET C . 53376 1 350 . 1 . 1 79 79 MET CA C 13 55.0506 . . 1 . . . . . 79 MET CA . 53376 1 351 . 1 . 1 79 79 MET CB C 13 32.3985 . . 1 . . . . . 79 MET CB . 53376 1 352 . 1 . 1 79 79 MET N N 15 122.3221 . . 1 . . . . . 79 MET N . 53376 1 353 . 1 . 1 80 80 GLU H H 1 8.3737 . . 1 . . . . . 80 GLU H . 53376 1 354 . 1 . 1 80 80 GLU C C 13 176.3051 . . 1 . . . . . 80 GLU C . 53376 1 355 . 1 . 1 80 80 GLU CA C 13 56.2797 . . 1 . . . . . 80 GLU CA . 53376 1 356 . 1 . 1 80 80 GLU CB C 13 29.9516 . . 1 . . . . . 80 GLU CB . 53376 1 357 . 1 . 1 80 80 GLU N N 15 122.4737 . . 1 . . . . . 80 GLU N . 53376 1 358 . 1 . 1 81 81 THR H H 1 8.1225 . . 1 . . . . . 81 THR H . 53376 1 359 . 1 . 1 81 81 THR C C 13 174.3516 . . 1 . . . . . 81 THR C . 53376 1 360 . 1 . 1 81 81 THR CA C 13 61.5949 . . 1 . . . . . 81 THR CA . 53376 1 361 . 1 . 1 81 81 THR CB C 13 69.5718 . . 1 . . . . . 81 THR CB . 53376 1 362 . 1 . 1 81 81 THR N N 15 115.2516 . . 1 . . . . . 81 THR N . 53376 1 363 . 1 . 1 82 82 THR H H 1 8.0385 . . 1 . . . . . 82 THR H . 53376 1 364 . 1 . 1 82 82 THR C C 13 174.2122 . . 1 . . . . . 82 THR C . 53376 1 365 . 1 . 1 82 82 THR CA C 13 61.6039 . . 1 . . . . . 82 THR CA . 53376 1 366 . 1 . 1 82 82 THR CB C 13 69.5746 . . 1 . . . . . 82 THR CB . 53376 1 367 . 1 . 1 82 82 THR N N 15 117.0635 . . 1 . . . . . 82 THR N . 53376 1 368 . 1 . 1 83 83 VAL H H 1 8.0639 . . 1 . . . . . 83 VAL H . 53376 1 369 . 1 . 1 83 83 VAL C C 13 175.5371 . . 1 . . . . . 83 VAL C . 53376 1 370 . 1 . 1 83 83 VAL CA C 13 62.1592 . . 1 . . . . . 83 VAL CA . 53376 1 371 . 1 . 1 83 83 VAL CB C 13 32.4037 . . 1 . . . . . 83 VAL CB . 53376 1 372 . 1 . 1 83 83 VAL N N 15 122.7883 . . 1 . . . . . 83 VAL N . 53376 1 373 . 1 . 1 84 84 ASN H H 1 8.3525 . . 1 . . . . . 84 ASN H . 53376 1 374 . 1 . 1 84 84 ASN HD21 H 1 7.4333 . . 1 . . . . . 84 ASN HD21 . 53376 1 375 . 1 . 1 84 84 ASN HD22 H 1 6.7684 . . 1 . . . . . 84 ASN HD22 . 53376 1 376 . 1 . 1 84 84 ASN C C 13 174.7506 . . 1 . . . . . 84 ASN C . 53376 1 377 . 1 . 1 84 84 ASN CA C 13 52.6485 . . 1 . . . . . 84 ASN CA . 53376 1 378 . 1 . 1 84 84 ASN CB C 13 38.4626 . . 1 . . . . . 84 ASN CB . 53376 1 379 . 1 . 1 84 84 ASN N N 15 122.6347 . . 1 . . . . . 84 ASN N . 53376 1 380 . 1 . 1 84 84 ASN ND2 N 15 113.0599 . . 1 . . . . . 84 ASN ND2 . 53376 1 381 . 1 . 1 85 85 ALA H H 1 8.1381 . . 1 . . . . . 85 ALA H . 53376 1 382 . 1 . 1 85 85 ALA C C 13 177.2481 . . 1 . . . . . 85 ALA C . 53376 1 383 . 1 . 1 85 85 ALA CA C 13 52.6323 . . 1 . . . . . 85 ALA CA . 53376 1 384 . 1 . 1 85 85 ALA CB C 13 18.7319 . . 1 . . . . . 85 ALA CB . 53376 1 385 . 1 . 1 85 85 ALA N N 15 124.5333 . . 1 . . . . . 85 ALA N . 53376 1 386 . 1 . 1 86 86 HIS H H 1 8.0481 . . 1 . . . . . 86 HIS H . 53376 1 387 . 1 . 1 86 86 HIS C C 13 174.9860 . . 1 . . . . . 86 HIS C . 53376 1 388 . 1 . 1 86 86 HIS CA C 13 55.8977 . . 1 . . . . . 86 HIS CA . 53376 1 389 . 1 . 1 86 86 HIS CB C 13 30.2322 . . 1 . . . . . 86 HIS CB . 53376 1 390 . 1 . 1 86 86 HIS N N 15 117.7970 . . 1 . . . . . 86 HIS N . 53376 1 391 . 1 . 1 87 87 GLN H H 1 7.9353 . . 1 . . . . . 87 GLN H . 53376 1 392 . 1 . 1 87 87 GLN HE21 H 1 7.3590 . . 1 . . . . . 87 GLN HE21 . 53376 1 393 . 1 . 1 87 87 GLN HE22 H 1 6.7137 . . 1 . . . . . 87 GLN HE22 . 53376 1 394 . 1 . 1 87 87 GLN C C 13 175.0976 . . 1 . . . . . 87 GLN C . 53376 1 395 . 1 . 1 87 87 GLN CA C 13 55.3184 . . 1 . . . . . 87 GLN CA . 53376 1 396 . 1 . 1 87 87 GLN CB C 13 29.2868 . . 1 . . . . . 87 GLN CB . 53376 1 397 . 1 . 1 87 87 GLN N N 15 121.2427 . . 1 . . . . . 87 GLN N . 53376 1 398 . 1 . 1 87 87 GLN NE2 N 15 112.5598 . . 1 . . . . . 87 GLN NE2 . 53376 1 399 . 1 . 1 88 88 ILE H H 1 8.0754 . . 1 . . . . . 88 ILE H . 53376 1 400 . 1 . 1 88 88 ILE C C 13 175.7342 . . 1 . . . . . 88 ILE C . 53376 1 401 . 1 . 1 88 88 ILE CA C 13 60.6114 . . 1 . . . . . 88 ILE CA . 53376 1 402 . 1 . 1 88 88 ILE CB C 13 38.0992 . . 1 . . . . . 88 ILE CB . 53376 1 403 . 1 . 1 88 88 ILE N N 15 123.0411 . . 1 . . . . . 88 ILE N . 53376 1 404 . 1 . 1 89 89 LEU H H 1 8.2404 . . 1 . . . . . 89 LEU H . 53376 1 405 . 1 . 1 89 89 LEU CA C 13 52.5002 . . 1 . . . . . 89 LEU CA . 53376 1 406 . 1 . 1 89 89 LEU CB C 13 41.2759 . . 1 . . . . . 89 LEU CB . 53376 1 407 . 1 . 1 89 89 LEU N N 15 128.4669 . . 1 . . . . . 89 LEU N . 53376 1 408 . 1 . 1 90 90 PRO C C 13 176.3624 . . 1 . . . . . 90 PRO C . 53376 1 409 . 1 . 1 90 90 PRO CA C 13 62.5335 . . 1 . . . . . 90 PRO CA . 53376 1 410 . 1 . 1 90 90 PRO CB C 13 31.8368 . . 1 . . . . . 90 PRO CB . 53376 1 411 . 1 . 1 91 91 LYS H H 1 8.2177 . . 1 . . . . . 91 LYS H . 53376 1 412 . 1 . 1 91 91 LYS C C 13 176.3737 . . 1 . . . . . 91 LYS C . 53376 1 413 . 1 . 1 91 91 LYS CA C 13 56.1834 . . 1 . . . . . 91 LYS CA . 53376 1 414 . 1 . 1 91 91 LYS CB C 13 32.7408 . . 1 . . . . . 91 LYS CB . 53376 1 415 . 1 . 1 91 91 LYS N N 15 121.9434 . . 1 . . . . . 91 LYS N . 53376 1 416 . 1 . 1 92 92 VAL H H 1 8.0255 . . 1 . . . . . 92 VAL H . 53376 1 417 . 1 . 1 92 92 VAL C C 13 175.4759 . . 1 . . . . . 92 VAL C . 53376 1 418 . 1 . 1 92 92 VAL CA C 13 61.9791 . . 1 . . . . . 92 VAL CA . 53376 1 419 . 1 . 1 92 92 VAL CB C 13 32.3941 . . 1 . . . . . 92 VAL CB . 53376 1 420 . 1 . 1 92 92 VAL N N 15 122.2848 . . 1 . . . . . 92 VAL N . 53376 1 421 . 1 . 1 93 93 LEU H H 1 8.1696 . . 1 . . . . . 93 LEU H . 53376 1 422 . 1 . 1 93 93 LEU C C 13 176.5446 . . 1 . . . . . 93 LEU C . 53376 1 423 . 1 . 1 93 93 LEU CA C 13 54.4768 . . 1 . . . . . 93 LEU CA . 53376 1 424 . 1 . 1 93 93 LEU CB C 13 42.0175 . . 1 . . . . . 93 LEU CB . 53376 1 425 . 1 . 1 93 93 LEU N N 15 126.3624 . . 1 . . . . . 93 LEU N . 53376 1 426 . 1 . 1 94 94 HIS H H 1 8.0819 . . 1 . . . . . 94 HIS H . 53376 1 427 . 1 . 1 94 94 HIS CA C 13 55.9185 . . 1 . . . . . 94 HIS CA . 53376 1 428 . 1 . 1 94 94 HIS CB C 13 30.7462 . . 1 . . . . . 94 HIS CB . 53376 1 429 . 1 . 1 94 94 HIS N N 15 121.2001 . . 1 . . . . . 94 HIS N . 53376 1 430 . 1 . 1 95 95 LYS H H 1 8.1533 . . 1 . . . . . 95 LYS H . 53376 1 431 . 1 . 1 95 95 LYS C C 13 176.4701 . . 1 . . . . . 95 LYS C . 53376 1 432 . 1 . 1 95 95 LYS CA C 13 55.9861 . . 1 . . . . . 95 LYS CA . 53376 1 433 . 1 . 1 95 95 LYS CB C 13 32.7369 . . 1 . . . . . 95 LYS CB . 53376 1 434 . 1 . 1 95 95 LYS N N 15 123.1143 . . 1 . . . . . 95 LYS N . 53376 1 435 . 1 . 1 96 96 ARG H H 1 8.4169 . . 1 . . . . . 96 ARG H . 53376 1 436 . 1 . 1 96 96 ARG C C 13 176.2436 . . 1 . . . . . 96 ARG C . 53376 1 437 . 1 . 1 96 96 ARG CA C 13 56.0024 . . 1 . . . . . 96 ARG CA . 53376 1 438 . 1 . 1 96 96 ARG CB C 13 30.5267 . . 1 . . . . . 96 ARG CB . 53376 1 439 . 1 . 1 96 96 ARG N N 15 122.9031 . . 1 . . . . . 96 ARG N . 53376 1 440 . 1 . 1 97 97 THR H H 1 8.0860 . . 1 . . . . . 97 THR H . 53376 1 441 . 1 . 1 97 97 THR C C 13 174.2614 . . 1 . . . . . 97 THR C . 53376 1 442 . 1 . 1 97 97 THR CA C 13 61.6248 . . 1 . . . . . 97 THR CA . 53376 1 443 . 1 . 1 97 97 THR CB C 13 69.4119 . . 1 . . . . . 97 THR CB . 53376 1 444 . 1 . 1 97 97 THR N N 15 116.2147 . . 1 . . . . . 97 THR N . 53376 1 445 . 1 . 1 98 98 LEU H H 1 8.1481 . . 1 . . . . . 98 LEU H . 53376 1 446 . 1 . 1 98 98 LEU C C 13 177.4641 . . 1 . . . . . 98 LEU C . 53376 1 447 . 1 . 1 98 98 LEU CA C 13 55.0274 . . 1 . . . . . 98 LEU CA . 53376 1 448 . 1 . 1 98 98 LEU CB C 13 42.1130 . . 1 . . . . . 98 LEU CB . 53376 1 449 . 1 . 1 98 98 LEU N N 15 124.9065 . . 1 . . . . . 98 LEU N . 53376 1 450 . 1 . 1 99 99 GLY H H 1 8.2384 . . 1 . . . . . 99 GLY H . 53376 1 451 . 1 . 1 99 99 GLY C C 13 174.1091 . . 1 . . . . . 99 GLY C . 53376 1 452 . 1 . 1 99 99 GLY CA C 13 44.9370 . . 1 . . . . . 99 GLY CA . 53376 1 453 . 1 . 1 99 99 GLY N N 15 109.4962 . . 1 . . . . . 99 GLY N . 53376 1 454 . 1 . 1 100 100 LEU H H 1 7.9355 . . 1 . . . . . 100 LEU H . 53376 1 455 . 1 . 1 100 100 LEU C C 13 177.7803 . . 1 . . . . . 100 LEU C . 53376 1 456 . 1 . 1 100 100 LEU CA C 13 55.2508 . . 1 . . . . . 100 LEU CA . 53376 1 457 . 1 . 1 100 100 LEU CB C 13 41.9553 . . 1 . . . . . 100 LEU CB . 53376 1 458 . 1 . 1 100 100 LEU N N 15 121.3383 . . 1 . . . . . 100 LEU N . 53376 1 459 . 1 . 1 101 101 SER H H 1 8.1467 . . 1 . . . . . 101 SER H . 53376 1 460 . 1 . 1 101 101 SER C C 13 174.0019 . . 1 . . . . . 101 SER C . 53376 1 461 . 1 . 1 101 101 SER CA C 13 58.4762 . . 1 . . . . . 101 SER CA . 53376 1 462 . 1 . 1 101 101 SER CB C 13 63.3006 . . 1 . . . . . 101 SER CB . 53376 1 463 . 1 . 1 101 101 SER N N 15 115.7189 . . 1 . . . . . 101 SER N . 53376 1 464 . 1 . 1 102 102 ALA H H 1 8.0243 . . 1 . . . . . 102 ALA H . 53376 1 465 . 1 . 1 102 102 ALA C C 13 177.3858 . . 1 . . . . . 102 ALA C . 53376 1 466 . 1 . 1 102 102 ALA CA C 13 52.1536 . . 1 . . . . . 102 ALA CA . 53376 1 467 . 1 . 1 102 102 ALA CB C 13 18.9266 . . 1 . . . . . 102 ALA CB . 53376 1 468 . 1 . 1 102 102 ALA N N 15 124.9830 . . 1 . . . . . 102 ALA N . 53376 1 469 . 1 . 1 103 103 MET H H 1 7.9158 . . 1 . . . . . 103 MET H . 53376 1 470 . 1 . 1 103 103 MET C C 13 175.9850 . . 1 . . . . . 103 MET C . 53376 1 471 . 1 . 1 103 103 MET CA C 13 55.4134 . . 1 . . . . . 103 MET CA . 53376 1 472 . 1 . 1 103 103 MET CB C 13 33.2249 . . 1 . . . . . 103 MET CB . 53376 1 473 . 1 . 1 103 103 MET N N 15 119.1045 . . 1 . . . . . 103 MET N . 53376 1 474 . 1 . 1 104 104 SER H H 1 8.5024 . . 1 . . . . . 104 SER H . 53376 1 475 . 1 . 1 104 104 SER C C 13 174.6094 . . 1 . . . . . 104 SER C . 53376 1 476 . 1 . 1 104 104 SER CA C 13 57.4867 . . 1 . . . . . 104 SER CA . 53376 1 477 . 1 . 1 104 104 SER CB C 13 64.0290 . . 1 . . . . . 104 SER CB . 53376 1 478 . 1 . 1 104 104 SER N N 15 117.8583 . . 1 . . . . . 104 SER N . 53376 1 479 . 1 . 1 105 105 THR H H 1 8.3475 . . 1 . . . . . 105 THR H . 53376 1 480 . 1 . 1 105 105 THR C C 13 175.4534 . . 1 . . . . . 105 THR C . 53376 1 481 . 1 . 1 105 105 THR CA C 13 63.4850 . . 1 . . . . . 105 THR CA . 53376 1 482 . 1 . 1 105 105 THR CB C 13 68.9221 . . 1 . . . . . 105 THR CB . 53376 1 483 . 1 . 1 105 105 THR N N 15 115.8344 . . 1 . . . . . 105 THR N . 53376 1 484 . 1 . 1 106 106 THR H H 1 7.8765 . . 1 . . . . . 106 THR H . 53376 1 485 . 1 . 1 106 106 THR C C 13 175.1815 . . 1 . . . . . 106 THR C . 53376 1 486 . 1 . 1 106 106 THR CA C 13 63.3452 . . 1 . . . . . 106 THR CA . 53376 1 487 . 1 . 1 106 106 THR CB C 13 68.9237 . . 1 . . . . . 106 THR CB . 53376 1 488 . 1 . 1 106 106 THR N N 15 115.3754 . . 1 . . . . . 106 THR N . 53376 1 489 . 1 . 1 107 107 ASP H H 1 7.9260 . . 1 . . . . . 107 ASP H . 53376 1 490 . 1 . 1 107 107 ASP C C 13 175.0758 . . 1 . . . . . 107 ASP C . 53376 1 491 . 1 . 1 107 107 ASP CA C 13 55.2738 . . 1 . . . . . 107 ASP CA . 53376 1 492 . 1 . 1 107 107 ASP CB C 13 40.1435 . . 1 . . . . . 107 ASP CB . 53376 1 493 . 1 . 1 107 107 ASP N N 15 123.4407 . . 1 . . . . . 107 ASP N . 53376 1 494 . 1 . 1 108 108 LEU H H 1 8.1538 . . 1 . . . . . 108 LEU H . 53376 1 495 . 1 . 1 108 108 LEU C C 13 177.8125 . . 1 . . . . . 108 LEU C . 53376 1 496 . 1 . 1 108 108 LEU CA C 13 56.4897 . . 1 . . . . . 108 LEU CA . 53376 1 497 . 1 . 1 108 108 LEU CB C 13 41.7715 . . 1 . . . . . 108 LEU CB . 53376 1 498 . 1 . 1 108 108 LEU N N 15 122.9592 . . 1 . . . . . 108 LEU N . 53376 1 499 . 1 . 1 109 109 GLU H H 1 7.9527 . . 1 . . . . . 109 GLU H . 53376 1 500 . 1 . 1 109 109 GLU C C 13 177.6124 . . 1 . . . . . 109 GLU C . 53376 1 501 . 1 . 1 109 109 GLU CA C 13 57.8428 . . 1 . . . . . 109 GLU CA . 53376 1 502 . 1 . 1 109 109 GLU CB C 13 29.3107 . . 1 . . . . . 109 GLU CB . 53376 1 503 . 1 . 1 109 109 GLU N N 15 119.1152 . . 1 . . . . . 109 GLU N . 53376 1 504 . 1 . 1 110 110 ALA H H 1 7.6405 . . 1 . . . . . 110 ALA H . 53376 1 505 . 1 . 1 110 110 ALA C C 13 178.1934 . . 1 . . . . . 110 ALA C . 53376 1 506 . 1 . 1 110 110 ALA CA C 13 53.4697 . . 1 . . . . . 110 ALA CA . 53376 1 507 . 1 . 1 110 110 ALA CB C 13 18.4385 . . 1 . . . . . 110 ALA CB . 53376 1 508 . 1 . 1 110 110 ALA N N 15 121.9944 . . 1 . . . . . 110 ALA N . 53376 1 509 . 1 . 1 111 111 TYR H H 1 7.8113 . . 1 . . . . . 111 TYR H . 53376 1 510 . 1 . 1 111 111 TYR C C 13 176.4217 . . 1 . . . . . 111 TYR C . 53376 1 511 . 1 . 1 111 111 TYR CA C 13 59.2771 . . 1 . . . . . 111 TYR CA . 53376 1 512 . 1 . 1 111 111 TYR CB C 13 38.2390 . . 1 . . . . . 111 TYR CB . 53376 1 513 . 1 . 1 111 111 TYR N N 15 119.1656 . . 1 . . . . . 111 TYR N . 53376 1 514 . 1 . 1 112 112 PHE H H 1 7.8990 . . 1 . . . . . 112 PHE H . 53376 1 515 . 1 . 1 112 112 PHE C C 13 176.2667 . . 1 . . . . . 112 PHE C . 53376 1 516 . 1 . 1 112 112 PHE CA C 13 58.4638 . . 1 . . . . . 112 PHE CA . 53376 1 517 . 1 . 1 112 112 PHE CB C 13 38.7388 . . 1 . . . . . 112 PHE CB . 53376 1 518 . 1 . 1 112 112 PHE N N 15 119.0356 . . 1 . . . . . 112 PHE N . 53376 1 519 . 1 . 1 113 113 LYS H H 1 7.6831 . . 1 . . . . . 113 LYS H . 53376 1 520 . 1 . 1 113 113 LYS C C 13 176.5510 . . 1 . . . . . 113 LYS C . 53376 1 521 . 1 . 1 113 113 LYS CA C 13 57.3796 . . 1 . . . . . 113 LYS CA . 53376 1 522 . 1 . 1 113 113 LYS CB C 13 32.4603 . . 1 . . . . . 113 LYS CB . 53376 1 523 . 1 . 1 113 113 LYS N N 15 121.1173 . . 1 . . . . . 113 LYS N . 53376 1 524 . 1 . 1 114 114 ASP H H 1 7.9804 . . 1 . . . . . 114 ASP H . 53376 1 525 . 1 . 1 114 114 ASP C C 13 176.2379 . . 1 . . . . . 114 ASP C . 53376 1 526 . 1 . 1 114 114 ASP CA C 13 54.6325 . . 1 . . . . . 114 ASP CA . 53376 1 527 . 1 . 1 114 114 ASP CB C 13 40.7285 . . 1 . . . . . 114 ASP CB . 53376 1 528 . 1 . 1 114 114 ASP N N 15 119.7949 . . 1 . . . . . 114 ASP N . 53376 1 529 . 1 . 1 115 115 CYS H H 1 7.8190 . . 1 . . . . . 115 CYS H . 53376 1 530 . 1 . 1 115 115 CYS C C 13 174.4435 . . 1 . . . . . 115 CYS C . 53376 1 531 . 1 . 1 115 115 CYS CA C 13 58.9928 . . 1 . . . . . 115 CYS CA . 53376 1 532 . 1 . 1 115 115 CYS CB C 13 27.5795 . . 1 . . . . . 115 CYS CB . 53376 1 533 . 1 . 1 115 115 CYS N N 15 118.0765 . . 1 . . . . . 115 CYS N . 53376 1 534 . 1 . 1 116 116 LEU H H 1 7.9358 . . 1 . . . . . 116 LEU H . 53376 1 535 . 1 . 1 116 116 LEU C C 13 176.7339 . . 1 . . . . . 116 LEU C . 53376 1 536 . 1 . 1 116 116 LEU CA C 13 55.2290 . . 1 . . . . . 116 LEU CA . 53376 1 537 . 1 . 1 116 116 LEU CB C 13 41.7135 . . 1 . . . . . 116 LEU CB . 53376 1 538 . 1 . 1 116 116 LEU N N 15 123.0176 . . 1 . . . . . 116 LEU N . 53376 1 539 . 1 . 1 117 117 PHE H H 1 7.8616 . . 1 . . . . . 117 PHE H . 53376 1 540 . 1 . 1 117 117 PHE C C 13 175.0213 . . 1 . . . . . 117 PHE C . 53376 1 541 . 1 . 1 117 117 PHE CA C 13 57.3581 . . 1 . . . . . 117 PHE CA . 53376 1 542 . 1 . 1 117 117 PHE CB C 13 38.9954 . . 1 . . . . . 117 PHE CB . 53376 1 543 . 1 . 1 117 117 PHE N N 15 119.9561 . . 1 . . . . . 117 PHE N . 53376 1 544 . 1 . 1 118 118 LYS H H 1 7.7849 . . 1 . . . . . 118 LYS H . 53376 1 545 . 1 . 1 118 118 LYS C C 13 175.0911 . . 1 . . . . . 118 LYS C . 53376 1 546 . 1 . 1 118 118 LYS CA C 13 55.7178 . . 1 . . . . . 118 LYS CA . 53376 1 547 . 1 . 1 118 118 LYS CB C 13 32.8567 . . 1 . . . . . 118 LYS CB . 53376 1 548 . 1 . 1 118 118 LYS N N 15 122.6378 . . 1 . . . . . 118 LYS N . 53376 1 549 . 1 . 1 119 119 ASP H H 1 7.7596 . . 1 . . . . . 119 ASP H . 53376 1 550 . 1 . 1 119 119 ASP C C 13 174.3233 . . 1 . . . . . 119 ASP C . 53376 1 551 . 1 . 1 119 119 ASP CA C 13 53.5805 . . 1 . . . . . 119 ASP CA . 53376 1 552 . 1 . 1 119 119 ASP CB C 13 40.6293 . . 1 . . . . . 119 ASP CB . 53376 1 553 . 1 . 1 119 119 ASP N N 15 121.8445 . . 1 . . . . . 119 ASP N . 53376 1 554 . 1 . 1 120 120 TRP H H 1 7.2488 . . 1 . . . . . 120 TRP H . 53376 1 555 . 1 . 1 120 120 TRP HE1 H 1 9.8737 . . 1 . . . . . 120 TRP HE1 . 53376 1 556 . 1 . 1 120 120 TRP CA C 13 58.1627 . . 1 . . . . . 120 TRP CA . 53376 1 557 . 1 . 1 120 120 TRP CB C 13 29.7317 . . 1 . . . . . 120 TRP CB . 53376 1 558 . 1 . 1 120 120 TRP N N 15 125.4071 . . 1 . . . . . 120 TRP N . 53376 1 559 . 1 . 1 120 120 TRP NE1 N 15 128.8158 . . 1 . . . . . 120 TRP NE1 . 53376 1 stop_ save_ ################################### # 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_2 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_2 _Assigned_chem_shift_list.Entry_ID 53376 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Name HBx_1_120_190mM_Urea _Assigned_chem_shift_list.Sample_condition_list_ID 2 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_2 _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 4 '2D 1H-15N HMQC' . . . 53376 2 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 . . 53376 2 2 $software_2 . . 53376 2 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 ARG H H 1 8.3237 . . 1 . . . . . 4 ARG H . 53376 2 2 . 1 . 1 4 4 ARG N N 15 121.4658 . . 1 . . . . . 4 ARG N . 53376 2 3 . 1 . 1 5 5 LEU H H 1 8.3080 . . 1 . . . . . 5 LEU H . 53376 2 4 . 1 . 1 5 5 LEU N N 15 124.4669 . . 1 . . . . . 5 LEU N . 53376 2 5 . 1 . 1 6 6 CYS H H 1 8.3041 . . 1 . . . . . 6 CYS H . 53376 2 6 . 1 . 1 6 6 CYS N N 15 120.6530 . . 1 . . . . . 6 CYS N . 53376 2 7 . 1 . 1 7 7 CYS H H 1 8.2954 . . 1 . . . . . 7 CYS H . 53376 2 8 . 1 . 1 7 7 CYS N N 15 121.9590 . . 1 . . . . . 7 CYS N . 53376 2 9 . 1 . 1 8 8 GLN H H 1 8.3549 . . 1 . . . . . 8 GLN H . 53376 2 10 . 1 . 1 8 8 GLN HE21 H 1 7.4132 . . 1 . . . . . 8 GLN HE21 . 53376 2 11 . 1 . 1 8 8 GLN HE22 H 1 6.7241 . . 1 . . . . . 8 GLN HE22 . 53376 2 12 . 1 . 1 8 8 GLN N N 15 123.0914 . . 1 . . . . . 8 GLN N . 53376 2 13 . 1 . 1 8 8 GLN NE2 N 15 113.0841 . . 1 . . . . . 8 GLN NE2 . 53376 2 14 . 1 . 1 9 9 LEU H H 1 8.1946 . . 1 . . . . . 9 LEU H . 53376 2 15 . 1 . 1 9 9 LEU N N 15 123.5915 . . 1 . . . . . 9 LEU N . 53376 2 16 . 1 . 1 10 10 ASP H H 1 8.2963 . . 1 . . . . . 10 ASP H . 53376 2 17 . 1 . 1 10 10 ASP N N 15 122.7787 . . 1 . . . . . 10 ASP N . 53376 2 18 . 1 . 1 12 12 ALA H H 1 8.1839 . . 1 . . . . . 12 ALA H . 53376 2 19 . 1 . 1 12 12 ALA N N 15 122.3448 . . 1 . . . . . 12 ALA N . 53376 2 20 . 1 . 1 13 13 ARG H H 1 7.7840 . . 1 . . . . . 13 ARG H . 53376 2 21 . 1 . 1 13 13 ARG N N 15 119.0899 . . 1 . . . . . 13 ARG N . 53376 2 22 . 1 . 1 14 14 ASP H H 1 8.1320 . . 1 . . . . . 14 ASP H . 53376 2 23 . 1 . 1 14 14 ASP N N 15 121.1219 . . 1 . . . . . 14 ASP N . 53376 2 24 . 1 . 1 15 15 VAL H H 1 7.8583 . . 1 . . . . . 15 VAL H . 53376 2 25 . 1 . 1 15 15 VAL N N 15 120.0277 . . 1 . . . . . 15 VAL N . 53376 2 26 . 1 . 1 16 16 LEU H H 1 8.1320 . . 1 . . . . . 16 LEU H . 53376 2 27 . 1 . 1 16 16 LEU N N 15 124.6544 . . 1 . . . . . 16 LEU N . 53376 2 28 . 1 . 1 17 17 CYS H H 1 8.0695 . . 1 . . . . . 17 CYS H . 53376 2 29 . 1 . 1 17 17 CYS N N 15 120.3716 . . 1 . . . . . 17 CYS N . 53376 2 30 . 1 . 1 18 18 LEU H H 1 8.1750 . . 1 . . . . . 18 LEU H . 53376 2 31 . 1 . 1 18 18 LEU N N 15 124.9045 . . 1 . . . . . 18 LEU N . 53376 2 32 . 1 . 1 19 19 ARG H H 1 8.1516 . . 1 . . . . . 19 ARG H . 53376 2 33 . 1 . 1 19 19 ARG N N 15 123.0288 . . 1 . . . . . 19 ARG N . 53376 2 34 . 1 . 1 21 21 VAL H H 1 8.2142 . . 1 . . . . . 21 VAL H . 53376 2 35 . 1 . 1 21 21 VAL N N 15 121.0594 . . 1 . . . . . 21 VAL N . 53376 2 36 . 1 . 1 22 22 GLY H H 1 8.4175 . . 1 . . . . . 22 GLY H . 53376 2 37 . 1 . 1 22 22 GLY N N 15 113.0251 . . 1 . . . . . 22 GLY N . 53376 2 38 . 1 . 1 23 23 ALA H H 1 8.0655 . . 1 . . . . . 23 ALA H . 53376 2 39 . 1 . 1 23 23 ALA N N 15 123.8729 . . 1 . . . . . 23 ALA N . 53376 2 40 . 1 . 1 24 24 GLU H H 1 8.4410 . . 1 . . . . . 24 GLU H . 53376 2 41 . 1 . 1 24 24 GLU N N 15 119.6838 . . 1 . . . . . 24 GLU N . 53376 2 42 . 1 . 1 25 25 SER H H 1 8.2063 . . 1 . . . . . 25 SER H . 53376 2 43 . 1 . 1 25 25 SER N N 15 116.4952 . . 1 . . . . . 25 SER N . 53376 2 44 . 1 . 1 26 26 CYS H H 1 8.2024 . . 1 . . . . . 26 CYS H . 53376 2 45 . 1 . 1 26 26 CYS N N 15 120.7467 . . 1 . . . . . 26 CYS N . 53376 2 46 . 1 . 1 27 27 GLY H H 1 8.2924 . . 1 . . . . . 27 GLY H . 53376 2 47 . 1 . 1 27 27 GLY N N 15 110.8368 . . 1 . . . . . 27 GLY N . 53376 2 48 . 1 . 1 28 28 ARG H H 1 8.0108 . . 1 . . . . . 28 ARG H . 53376 2 49 . 1 . 1 28 28 ARG N N 15 121.5908 . . 1 . . . . . 28 ARG N . 53376 2 50 . 1 . 1 30 30 PHE H H 1 8.3158 . . 1 . . . . . 30 PHE H . 53376 2 51 . 1 . 1 30 30 PHE N N 15 120.9343 . . 1 . . . . . 30 PHE N . 53376 2 52 . 1 . 1 31 31 SER H H 1 8.1242 . . 1 . . . . . 31 SER H . 53376 2 53 . 1 . 1 31 31 SER N N 15 118.4021 . . 1 . . . . . 31 SER N . 53376 2 54 . 1 . 1 32 32 GLY H H 1 7.5297 . . 1 . . . . . 32 GLY H . 53376 2 55 . 1 . 1 32 32 GLY N N 15 110.2741 . . 1 . . . . . 32 GLY N . 53376 2 56 . 1 . 1 33 33 SER H H 1 8.0616 . . 1 . . . . . 33 SER H . 53376 2 57 . 1 . 1 33 33 SER N N 15 115.4948 . . 1 . . . . . 33 SER N . 53376 2 58 . 1 . 1 34 34 LEU H H 1 8.2650 . . 1 . . . . . 34 LEU H . 53376 2 59 . 1 . 1 34 34 LEU N N 15 123.9667 . . 1 . . . . . 34 LEU N . 53376 2 60 . 1 . 1 35 35 GLY H H 1 8.2206 . . 1 . . . . . 35 GLY H . 53376 2 61 . 1 . 1 35 35 GLY N N 15 109.2655 . . 1 . . . . . 35 GLY N . 53376 2 62 . 1 . 1 36 36 THR H H 1 7.8700 . . 1 . . . . . 36 THR H . 53376 2 63 . 1 . 1 36 36 THR N N 15 113.7129 . . 1 . . . . . 36 THR N . 53376 2 64 . 1 . 1 37 37 LEU H H 1 8.1868 . . 1 . . . . . 37 LEU H . 53376 2 65 . 1 . 1 37 37 LEU N N 15 124.3731 . . 1 . . . . . 37 LEU N . 53376 2 66 . 1 . 1 38 38 SER H H 1 8.1320 . . 1 . . . . . 38 SER H . 53376 2 67 . 1 . 1 38 38 SER N N 15 116.5577 . . 1 . . . . . 38 SER N . 53376 2 68 . 1 . 1 39 39 SER H H 1 8.1242 . . 1 . . . . . 39 SER H . 53376 2 69 . 1 . 1 39 39 SER N N 15 118.7460 . . 1 . . . . . 39 SER N . 53376 2 70 . 1 . 1 41 41 SER H H 1 8.3589 . . 1 . . . . . 41 SER H . 53376 2 71 . 1 . 1 41 41 SER N N 15 117.9332 . . 1 . . . . . 41 SER N . 53376 2 72 . 1 . 1 43 43 SER H H 1 8.1750 . . 1 . . . . . 43 SER H . 53376 2 73 . 1 . 1 43 43 SER N N 15 115.7136 . . 1 . . . . . 43 SER N . 53376 2 74 . 1 . 1 44 44 ALA H H 1 8.1477 . . 1 . . . . . 44 ALA H . 53376 2 75 . 1 . 1 44 44 ALA N N 15 126.1550 . . 1 . . . . . 44 ALA N . 53376 2 76 . 1 . 1 45 45 VAL H H 1 8.0108 . . 1 . . . . . 45 VAL H . 53376 2 77 . 1 . 1 45 45 VAL N N 15 121.3094 . . 1 . . . . . 45 VAL N . 53376 2 78 . 1 . 1 47 47 THR H H 1 8.1320 . . 1 . . . . . 47 THR H . 53376 2 79 . 1 . 1 47 47 THR N N 15 114.5882 . . 1 . . . . . 47 THR N . 53376 2 80 . 1 . 1 48 48 ASP H H 1 8.1790 . . 1 . . . . . 48 ASP H . 53376 2 81 . 1 . 1 48 48 ASP N N 15 122.3723 . . 1 . . . . . 48 ASP N . 53376 2 82 . 1 . 1 49 49 HIS H H 1 8.1555 . . 1 . . . . . 49 HIS H . 53376 2 83 . 1 . 1 49 49 HIS N N 15 120.9343 . . 1 . . . . . 49 HIS N . 53376 2 84 . 1 . 1 50 50 GLY H H 1 8.2650 . . 1 . . . . . 50 GLY H . 53376 2 85 . 1 . 1 50 50 GLY N N 15 109.2738 . . 1 . . . . . 50 GLY N . 53376 2 86 . 1 . 1 51 51 ALA H H 1 7.9678 . . 1 . . . . . 51 ALA H . 53376 2 87 . 1 . 1 51 51 ALA N N 15 123.6541 . . 1 . . . . . 51 ALA N . 53376 2 88 . 1 . 1 52 52 HIS H H 1 8.1441 . . 1 . . . . . 52 HIS H . 53376 2 89 . 1 . 1 52 52 HIS N N 15 117.9599 . . 1 . . . . . 52 HIS N . 53376 2 90 . 1 . 1 53 53 LEU H H 1 7.8152 . . 1 . . . . . 53 LEU H . 53376 2 91 . 1 . 1 53 53 LEU N N 15 122.8100 . . 1 . . . . . 53 LEU N . 53376 2 92 . 1 . 1 54 54 SER H H 1 8.1672 . . 1 . . . . . 54 SER H . 53376 2 93 . 1 . 1 54 54 SER N N 15 116.0888 . . 1 . . . . . 54 SER N . 53376 2 94 . 1 . 1 55 55 LEU H H 1 8.1007 . . 1 . . . . . 55 LEU H . 53376 2 95 . 1 . 1 55 55 LEU N N 15 123.6541 . . 1 . . . . . 55 LEU N . 53376 2 96 . 1 . 1 56 56 ARG H H 1 8.0186 . . 1 . . . . . 56 ARG H . 53376 2 97 . 1 . 1 56 56 ARG N N 15 120.4029 . . 1 . . . . . 56 ARG N . 53376 2 98 . 1 . 1 57 57 GLY H H 1 8.1594 . . 1 . . . . . 57 GLY H . 53376 2 99 . 1 . 1 57 57 GLY N N 15 109.2738 . . 1 . . . . . 57 GLY N . 53376 2 100 . 1 . 1 58 58 LEU H H 1 7.8152 . . 1 . . . . . 58 LEU H . 53376 2 101 . 1 . 1 58 58 LEU N N 15 122.4036 . . 1 . . . . . 58 LEU N . 53376 2 102 . 1 . 1 60 60 VAL H H 1 8.1438 . . 1 . . . . . 60 VAL H . 53376 2 103 . 1 . 1 60 60 VAL N N 15 120.6842 . . 1 . . . . . 60 VAL N . 53376 2 104 . 1 . 1 61 61 CYS H H 1 8.2494 . . 1 . . . . . 61 CYS H . 53376 2 105 . 1 . 1 61 61 CYS N N 15 123.4978 . . 1 . . . . . 61 CYS N . 53376 2 106 . 1 . 1 62 62 ALA H H 1 8.2846 . . 1 . . . . . 62 ALA H . 53376 2 107 . 1 . 1 62 62 ALA N N 15 127.2491 . . 1 . . . . . 62 ALA N . 53376 2 108 . 1 . 1 63 63 PHE H H 1 8.1164 . . 1 . . . . . 63 PHE H . 53376 2 109 . 1 . 1 63 63 PHE N N 15 119.2462 . . 1 . . . . . 63 PHE N . 53376 2 110 . 1 . 1 64 64 SER H H 1 8.0303 . . 1 . . . . . 64 SER H . 53376 2 111 . 1 . 1 64 64 SER N N 15 117.2767 . . 1 . . . . . 64 SER N . 53376 2 112 . 1 . 1 65 65 SER H H 1 8.2220 . . 1 . . . . . 65 SER H . 53376 2 113 . 1 . 1 65 65 SER N N 15 118.1833 . . 1 . . . . . 65 SER N . 53376 2 114 . 1 . 1 66 66 ALA H H 1 8.0890 . . 1 . . . . . 66 ALA H . 53376 2 115 . 1 . 1 66 66 ALA N N 15 125.3422 . . 1 . . . . . 66 ALA N . 53376 2 116 . 1 . 1 67 67 GLY H H 1 7.9599 . . 1 . . . . . 67 GLY H . 53376 2 117 . 1 . 1 67 67 GLY N N 15 107.9608 . . 1 . . . . . 67 GLY N . 53376 2 118 . 1 . 1 69 69 CYS H H 1 8.3119 . . 1 . . . . . 69 CYS H . 53376 2 119 . 1 . 1 69 69 CYS N N 15 120.0590 . . 1 . . . . . 69 CYS N . 53376 2 120 . 1 . 1 70 70 ALA H H 1 8.1750 . . 1 . . . . . 70 ALA H . 53376 2 121 . 1 . 1 70 70 ALA N N 15 126.3113 . . 1 . . . . . 70 ALA N . 53376 2 122 . 1 . 1 71 71 LEU H H 1 8.0499 . . 1 . . . . . 71 LEU H . 53376 2 123 . 1 . 1 71 71 LEU N N 15 120.9343 . . 1 . . . . . 71 LEU N . 53376 2 124 . 1 . 1 72 72 ARG H H 1 7.9521 . . 1 . . . . . 72 ARG H . 53376 2 125 . 1 . 1 72 72 ARG N N 15 120.8405 . . 1 . . . . . 72 ARG N . 53376 2 126 . 1 . 1 73 73 PHE H H 1 8.0577 . . 1 . . . . . 73 PHE H . 53376 2 127 . 1 . 1 73 73 PHE N N 15 120.6530 . . 1 . . . . . 73 PHE N . 53376 2 128 . 1 . 1 74 74 THR H H 1 7.9208 . . 1 . . . . . 74 THR H . 53376 2 129 . 1 . 1 74 74 THR N N 15 115.4010 . . 1 . . . . . 74 THR N . 53376 2 130 . 1 . 1 75 75 SER H H 1 8.1380 . . 1 . . . . . 75 SER H . 53376 2 131 . 1 . 1 75 75 SER N N 15 117.9429 . . 1 . . . . . 75 SER N . 53376 2 132 . 1 . 1 76 76 ALA H H 1 8.1594 . . 1 . . . . . 76 ALA H . 53376 2 133 . 1 . 1 76 76 ALA N N 15 125.6861 . . 1 . . . . . 76 ALA N . 53376 2 134 . 1 . 1 77 77 ARG H H 1 8.0421 . . 1 . . . . . 77 ARG H . 53376 2 135 . 1 . 1 77 77 ARG N N 15 120.0902 . . 1 . . . . . 77 ARG N . 53376 2 136 . 1 . 1 78 78 ARG H H 1 8.1946 . . 1 . . . . . 78 ARG H . 53376 2 137 . 1 . 1 78 78 ARG N N 15 122.6224 . . 1 . . . . . 78 ARG N . 53376 2 138 . 1 . 1 79 79 MET H H 1 8.3080 . . 1 . . . . . 79 MET H . 53376 2 139 . 1 . 1 79 79 MET N N 15 122.0285 . . 1 . . . . . 79 MET N . 53376 2 140 . 1 . 1 80 80 GLU H H 1 8.3549 . . 1 . . . . . 80 GLU H . 53376 2 141 . 1 . 1 80 80 GLU N N 15 122.2786 . . 1 . . . . . 80 GLU N . 53376 2 142 . 1 . 1 81 81 THR H H 1 8.1203 . . 1 . . . . . 81 THR H . 53376 2 143 . 1 . 1 81 81 THR N N 15 115.1197 . . 1 . . . . . 81 THR N . 53376 2 144 . 1 . 1 82 82 THR H H 1 8.0382 . . 1 . . . . . 82 THR H . 53376 2 145 . 1 . 1 82 82 THR N N 15 117.0579 . . 1 . . . . . 82 THR N . 53376 2 146 . 1 . 1 83 83 VAL H H 1 8.0734 . . 1 . . . . . 83 VAL H . 53376 2 147 . 1 . 1 83 83 VAL N N 15 122.8100 . . 1 . . . . . 83 VAL N . 53376 2 148 . 1 . 1 84 84 ASN H H 1 8.3549 . . 1 . . . . . 84 ASN H . 53376 2 149 . 1 . 1 84 84 ASN HD21 H 1 7.4493 . . 1 . . . . . 84 ASN HD21 . 53376 2 150 . 1 . 1 84 84 ASN HD22 H 1 6.7710 . . 1 . . . . . 84 ASN HD22 . 53376 2 151 . 1 . 1 84 84 ASN N N 15 122.4974 . . 1 . . . . . 84 ASN N . 53376 2 152 . 1 . 1 84 84 ASN ND2 N 15 113.1440 . . 1 . . . . . 84 ASN ND2 . 53376 2 153 . 1 . 1 85 85 ALA H H 1 8.1477 . . 1 . . . . . 85 ALA H . 53376 2 154 . 1 . 1 85 85 ALA N N 15 124.4669 . . 1 . . . . . 85 ALA N . 53376 2 155 . 1 . 1 86 86 HIS H H 1 8.0499 . . 1 . . . . . 86 HIS H . 53376 2 156 . 1 . 1 86 86 HIS N N 15 117.6518 . . 1 . . . . . 86 HIS N . 53376 2 157 . 1 . 1 87 87 GLN H H 1 7.9130 . . 1 . . . . . 87 GLN H . 53376 2 158 . 1 . 1 87 87 GLN HE21 H 1 7.3748 . . 1 . . . . . 87 GLN HE21 . 53376 2 159 . 1 . 1 87 87 GLN HE22 H 1 6.7202 . . 1 . . . . . 87 GLN HE22 . 53376 2 160 . 1 . 1 87 87 GLN N N 15 121.1844 . . 1 . . . . . 87 GLN N . 53376 2 161 . 1 . 1 87 87 GLN NE2 N 15 112.6825 . . 1 . . . . . 87 GLN NE2 . 53376 2 162 . 1 . 1 88 88 ILE H H 1 8.0850 . . 1 . . . . . 88 ILE H . 53376 2 163 . 1 . 1 88 88 ILE N N 15 122.8726 . . 1 . . . . . 88 ILE N . 53376 2 164 . 1 . 1 89 89 LEU H H 1 8.2376 . . 1 . . . . . 89 LEU H . 53376 2 165 . 1 . 1 89 89 LEU N N 15 128.3433 . . 1 . . . . . 89 LEU N . 53376 2 166 . 1 . 1 91 91 LYS H H 1 8.2220 . . 1 . . . . . 91 LYS H . 53376 2 167 . 1 . 1 91 91 LYS N N 15 121.7158 . . 1 . . . . . 91 LYS N . 53376 2 168 . 1 . 1 92 92 VAL H H 1 8.0030 . . 1 . . . . . 92 VAL H . 53376 2 169 . 1 . 1 92 92 VAL N N 15 122.0597 . . 1 . . . . . 92 VAL N . 53376 2 170 . 1 . 1 93 93 LEU H H 1 8.1649 . . 1 . . . . . 93 LEU H . 53376 2 171 . 1 . 1 93 93 LEU N N 15 126.2373 . . 1 . . . . . 93 LEU N . 53376 2 172 . 1 . 1 94 94 HIS H H 1 8.0616 . . 1 . . . . . 94 HIS H . 53376 2 173 . 1 . 1 94 94 HIS N N 15 120.9656 . . 1 . . . . . 94 HIS N . 53376 2 174 . 1 . 1 95 95 LYS H H 1 8.1281 . . 1 . . . . . 95 LYS H . 53376 2 175 . 1 . 1 95 95 LYS N N 15 122.7475 . . 1 . . . . . 95 LYS N . 53376 2 176 . 1 . 1 96 96 ARG H H 1 8.4097 . . 1 . . . . . 96 ARG H . 53376 2 177 . 1 . 1 96 96 ARG N N 15 122.5912 . . 1 . . . . . 96 ARG N . 53376 2 178 . 1 . 1 97 97 THR H H 1 8.0460 . . 1 . . . . . 97 THR H . 53376 2 179 . 1 . 1 97 97 THR N N 15 115.9325 . . 1 . . . . . 97 THR N . 53376 2 180 . 1 . 1 98 98 LEU H H 1 8.1412 . . 1 . . . . . 98 LEU H . 53376 2 181 . 1 . 1 98 98 LEU N N 15 124.5335 . . 1 . . . . . 98 LEU N . 53376 2 182 . 1 . 1 99 99 GLY H H 1 8.2337 . . 1 . . . . . 99 GLY H . 53376 2 183 . 1 . 1 99 99 GLY N N 15 109.2738 . . 1 . . . . . 99 GLY N . 53376 2 184 . 1 . 1 100 100 LEU H H 1 7.9287 . . 1 . . . . . 100 LEU H . 53376 2 185 . 1 . 1 100 100 LEU N N 15 121.3720 . . 1 . . . . . 100 LEU N . 53376 2 186 . 1 . 1 101 101 SER H H 1 8.1281 . . 1 . . . . . 101 SER H . 53376 2 187 . 1 . 1 101 101 SER N N 15 115.4010 . . 1 . . . . . 101 SER N . 53376 2 188 . 1 . 1 102 102 ALA H H 1 7.9834 . . 1 . . . . . 102 ALA H . 53376 2 189 . 1 . 1 102 102 ALA N N 15 124.7170 . . 1 . . . . . 102 ALA N . 53376 2 190 . 1 . 1 103 103 MET H H 1 7.9247 . . 1 . . . . . 103 MET H . 53376 2 191 . 1 . 1 103 103 MET N N 15 118.8710 . . 1 . . . . . 103 MET N . 53376 2 192 . 1 . 1 104 104 SER H H 1 8.5740 . . 1 . . . . . 104 SER H . 53376 2 193 . 1 . 1 104 104 SER N N 15 117.9957 . . 1 . . . . . 104 SER N . 53376 2 194 . 1 . 1 105 105 THR H H 1 8.4019 . . 1 . . . . . 105 THR H . 53376 2 195 . 1 . 1 105 105 THR N N 15 115.8074 . . 1 . . . . . 105 THR N . 53376 2 196 . 1 . 1 106 106 THR H H 1 7.8700 . . 1 . . . . . 106 THR H . 53376 2 197 . 1 . 1 106 106 THR N N 15 115.2760 . . 1 . . . . . 106 THR N . 53376 2 198 . 1 . 1 107 107 ASP H H 1 7.8856 . . 1 . . . . . 107 ASP H . 53376 2 199 . 1 . 1 107 107 ASP N N 15 123.5915 . . 1 . . . . . 107 ASP N . 53376 2 200 . 1 . 1 108 108 LEU H H 1 8.2024 . . 1 . . . . . 108 LEU H . 53376 2 201 . 1 . 1 108 108 LEU N N 15 123.0601 . . 1 . . . . . 108 LEU N . 53376 2 202 . 1 . 1 109 109 GLU H H 1 7.9247 . . 1 . . . . . 109 GLU H . 53376 2 203 . 1 . 1 109 109 GLU N N 15 118.5897 . . 1 . . . . . 109 GLU N . 53376 2 204 . 1 . 1 110 110 ALA H H 1 7.6001 . . 1 . . . . . 110 ALA H . 53376 2 205 . 1 . 1 110 110 ALA N N 15 121.6533 . . 1 . . . . . 110 ALA N . 53376 2 206 . 1 . 1 111 111 TYR H H 1 7.8309 . . 1 . . . . . 111 TYR H . 53376 2 207 . 1 . 1 111 111 TYR N N 15 119.3400 . . 1 . . . . . 111 TYR N . 53376 2 208 . 1 . 1 112 112 PHE H H 1 7.8544 . . 1 . . . . . 112 PHE H . 53376 2 209 . 1 . 1 112 112 PHE N N 15 119.0899 . . 1 . . . . . 112 PHE N . 53376 2 210 . 1 . 1 113 113 LYS H H 1 7.6471 . . 1 . . . . . 113 LYS H . 53376 2 211 . 1 . 1 113 113 LYS N N 15 120.8093 . . 1 . . . . . 113 LYS N . 53376 2 212 . 1 . 1 114 114 ASP H H 1 7.9678 . . 1 . . . . . 114 ASP H . 53376 2 213 . 1 . 1 114 114 ASP N N 15 119.5275 . . 1 . . . . . 114 ASP N . 53376 2 214 . 1 . 1 115 115 CYS H H 1 7.7800 . . 1 . . . . . 115 CYS H . 53376 2 215 . 1 . 1 115 115 CYS N N 15 117.8707 . . 1 . . . . . 115 CYS N . 53376 2 216 . 1 . 1 116 116 LEU H H 1 7.9169 . . 1 . . . . . 116 LEU H . 53376 2 217 . 1 . 1 116 116 LEU N N 15 122.7787 . . 1 . . . . . 116 LEU N . 53376 2 218 . 1 . 1 117 117 PHE H H 1 7.8387 . . 1 . . . . . 117 PHE H . 53376 2 219 . 1 . 1 117 117 PHE N N 15 119.7151 . . 1 . . . . . 117 PHE N . 53376 2 220 . 1 . 1 118 118 LYS H H 1 7.7566 . . 1 . . . . . 118 LYS H . 53376 2 221 . 1 . 1 118 118 LYS N N 15 122.4036 . . 1 . . . . . 118 LYS N . 53376 2 222 . 1 . 1 119 119 ASP H H 1 7.7331 . . 1 . . . . . 119 ASP H . 53376 2 223 . 1 . 1 119 119 ASP N N 15 121.7158 . . 1 . . . . . 119 ASP N . 53376 2 224 . 1 . 1 120 120 TRP H H 1 7.2403 . . 1 . . . . . 120 TRP H . 53376 2 225 . 1 . 1 120 120 TRP HE1 H 1 9.8750 . . 1 . . . . . 120 TRP HE1 . 53376 2 226 . 1 . 1 120 120 TRP N N 15 125.4360 . . 1 . . . . . 120 TRP N . 53376 2 227 . 1 . 1 120 120 TRP NE1 N 15 128.8365 . . 1 . . . . . 120 TRP NE1 . 53376 2 stop_ save_