################################### # 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_chemical_shift_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_1 _Assigned_chem_shift_list.Entry_ID 11373 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $condition_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $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 '3D 1H-15N NOESY' 1 $sample_1 isotropic 11373 1 2 '3D 1H-13C NOESY' 1 $sample_1 isotropic 11373 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 $OPAL . . 11373 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 GLN C C 13 175.989 0.300 . 1 . . . . 2 GLN C . 11373 1 2 . 1 1 2 2 GLN CA C 13 55.735 0.300 . 1 . . . . 2 GLN CA . 11373 1 3 . 1 1 2 2 GLN CB C 13 29.743 0.300 . 1 . . . . 2 GLN CB . 11373 1 4 . 1 1 3 3 LYS H H 1 8.531 0.030 . 1 . . . . 3 LYS H . 11373 1 5 . 1 1 3 3 LYS C C 13 176.496 0.300 . 1 . . . . 3 LYS C . 11373 1 6 . 1 1 3 3 LYS CA C 13 56.400 0.300 . 1 . . . . 3 LYS CA . 11373 1 7 . 1 1 3 3 LYS CB C 13 33.305 0.300 . 1 . . . . 3 LYS CB . 11373 1 8 . 1 1 3 3 LYS N N 15 123.812 0.300 . 1 . . . . 3 LYS N . 11373 1 9 . 1 1 4 4 LYS H H 1 8.456 0.030 . 1 . . . . 4 LYS H . 11373 1 10 . 1 1 4 4 LYS C C 13 175.979 0.300 . 1 . . . . 4 LYS C . 11373 1 11 . 1 1 4 4 LYS CA C 13 56.093 0.300 . 1 . . . . 4 LYS CA . 11373 1 12 . 1 1 4 4 LYS CB C 13 33.169 0.300 . 1 . . . . 4 LYS CB . 11373 1 13 . 1 1 4 4 LYS N N 15 123.650 0.300 . 1 . . . . 4 LYS N . 11373 1 14 . 1 1 5 5 ASP H H 1 8.434 0.030 . 1 . . . . 5 ASP H . 11373 1 15 . 1 1 5 5 ASP C C 13 176.722 0.300 . 1 . . . . 5 ASP C . 11373 1 16 . 1 1 5 5 ASP CA C 13 54.094 0.300 . 1 . . . . 5 ASP CA . 11373 1 17 . 1 1 5 5 ASP CB C 13 41.204 0.300 . 1 . . . . 5 ASP CB . 11373 1 18 . 1 1 5 5 ASP N N 15 122.424 0.300 . 1 . . . . 5 ASP N . 11373 1 19 . 1 1 6 6 THR H H 1 8.218 0.030 . 1 . . . . 6 THR H . 11373 1 20 . 1 1 6 6 THR C C 13 175.545 0.300 . 1 . . . . 6 THR C . 11373 1 21 . 1 1 6 6 THR CA C 13 61.014 0.300 . 1 . . . . 6 THR CA . 11373 1 22 . 1 1 6 6 THR CB C 13 69.021 0.300 . 1 . . . . 6 THR CB . 11373 1 23 . 1 1 6 6 THR N N 15 114.860 0.300 . 1 . . . . 6 THR N . 11373 1 24 . 1 1 7 7 SER H H 1 8.306 0.030 . 1 . . . . 7 SER H . 11373 1 25 . 1 1 7 7 SER C C 13 174.521 0.300 . 1 . . . . 7 SER C . 11373 1 26 . 1 1 7 7 SER CA C 13 60.194 0.300 . 1 . . . . 7 SER CA . 11373 1 27 . 1 1 7 7 SER CB C 13 63.200 0.300 . 1 . . . . 7 SER CB . 11373 1 28 . 1 1 7 7 SER N N 15 118.741 0.300 . 1 . . . . 7 SER N . 11373 1 29 . 1 1 8 8 ASN H H 1 8.246 0.030 . 1 . . . . 8 ASN H . 11373 1 30 . 1 1 8 8 ASN C C 13 174.160 0.300 . 1 . . . . 8 ASN C . 11373 1 31 . 1 1 8 8 ASN CA C 13 52.864 0.300 . 1 . . . . 8 ASN CA . 11373 1 32 . 1 1 8 8 ASN CB C 13 38.681 0.300 . 1 . . . . 8 ASN CB . 11373 1 33 . 1 1 8 8 ASN N N 15 119.452 0.300 . 1 . . . . 8 ASN N . 11373 1 34 . 1 1 9 9 HIS H H 1 7.390 0.030 . 1 . . . . 9 HIS H . 11373 1 35 . 1 1 9 9 HIS C C 13 172.174 0.300 . 1 . . . . 9 HIS C . 11373 1 36 . 1 1 9 9 HIS CA C 13 53.684 0.300 . 1 . . . . 9 HIS CA . 11373 1 37 . 1 1 9 9 HIS CB C 13 32.293 0.300 . 1 . . . . 9 HIS CB . 11373 1 38 . 1 1 9 9 HIS N N 15 119.165 0.300 . 1 . . . . 9 HIS N . 11373 1 39 . 1 1 10 10 PHE H H 1 8.360 0.030 . 1 . . . . 10 PHE H . 11373 1 40 . 1 1 10 10 PHE C C 13 175.069 0.300 . 1 . . . . 10 PHE C . 11373 1 41 . 1 1 10 10 PHE CA C 13 58.346 0.300 . 1 . . . . 10 PHE CA . 11373 1 42 . 1 1 10 10 PHE CB C 13 40.844 0.300 . 1 . . . . 10 PHE CB . 11373 1 43 . 1 1 10 10 PHE N N 15 117.495 0.300 . 1 . . . . 10 PHE N . 11373 1 44 . 1 1 11 11 HIS H H 1 8.840 0.030 . 1 . . . . 11 HIS H . 11373 1 45 . 1 1 11 11 HIS C C 13 174.293 0.300 . 1 . . . . 11 HIS C . 11373 1 46 . 1 1 11 11 HIS CA C 13 56.657 0.300 . 1 . . . . 11 HIS CA . 11373 1 47 . 1 1 11 11 HIS CB C 13 33.221 0.300 . 1 . . . . 11 HIS CB . 11373 1 48 . 1 1 11 11 HIS N N 15 124.295 0.300 . 1 . . . . 11 HIS N . 11373 1 49 . 1 1 12 12 VAL H H 1 9.762 0.030 . 1 . . . . 12 VAL H . 11373 1 50 . 1 1 12 12 VAL C C 13 175.246 0.300 . 1 . . . . 12 VAL C . 11373 1 51 . 1 1 12 12 VAL CA C 13 62.040 0.300 . 1 . . . . 12 VAL CA . 11373 1 52 . 1 1 12 12 VAL CB C 13 33.620 0.300 . 1 . . . . 12 VAL CB . 11373 1 53 . 1 1 12 12 VAL N N 15 126.434 0.300 . 1 . . . . 12 VAL N . 11373 1 54 . 1 1 13 13 PHE H H 1 9.130 0.030 . 1 . . . . 13 PHE H . 11373 1 55 . 1 1 13 13 PHE C C 13 172.805 0.300 . 1 . . . . 13 PHE C . 11373 1 56 . 1 1 13 13 PHE CA C 13 57.118 0.300 . 1 . . . . 13 PHE CA . 11373 1 57 . 1 1 13 13 PHE CB C 13 40.895 0.300 . 1 . . . . 13 PHE CB . 11373 1 58 . 1 1 13 13 PHE N N 15 127.950 0.300 . 1 . . . . 13 PHE N . 11373 1 59 . 1 1 14 14 VAL H H 1 7.841 0.030 . 1 . . . . 14 VAL H . 11373 1 60 . 1 1 14 14 VAL C C 13 173.613 0.300 . 1 . . . . 14 VAL C . 11373 1 61 . 1 1 14 14 VAL CA C 13 59.579 0.300 . 1 . . . . 14 VAL CA . 11373 1 62 . 1 1 14 14 VAL CB C 13 32.757 0.300 . 1 . . . . 14 VAL CB . 11373 1 63 . 1 1 14 14 VAL N N 15 126.945 0.300 . 1 . . . . 14 VAL N . 11373 1 64 . 1 1 15 15 GLY H H 1 8.792 0.030 . 1 . . . . 15 GLY H . 11373 1 65 . 1 1 15 15 GLY C C 13 172.333 0.300 . 1 . . . . 15 GLY C . 11373 1 66 . 1 1 15 15 GLY CA C 13 43.688 0.300 . 1 . . . . 15 GLY CA . 11373 1 67 . 1 1 15 15 GLY N N 15 111.370 0.300 . 1 . . . . 15 GLY N . 11373 1 68 . 1 1 16 16 ASP H H 1 8.414 0.030 . 1 . . . . 16 ASP H . 11373 1 69 . 1 1 16 16 ASP CA C 13 55.323 0.300 . 1 . . . . 16 ASP CA . 11373 1 70 . 1 1 16 16 ASP CB C 13 38.986 0.300 . 1 . . . . 16 ASP CB . 11373 1 71 . 1 1 16 16 ASP N N 15 115.352 0.300 . 1 . . . . 16 ASP N . 11373 1 72 . 1 1 17 17 LEU C C 13 178.283 0.300 . 1 . . . . 17 LEU C . 11373 1 73 . 1 1 17 17 LEU CA C 13 53.074 0.300 . 1 . . . . 17 LEU CA . 11373 1 74 . 1 1 17 17 LEU CB C 13 42.796 0.300 . 1 . . . . 17 LEU CB . 11373 1 75 . 1 1 18 18 SER H H 1 8.891 0.030 . 1 . . . . 18 SER H . 11373 1 76 . 1 1 18 18 SER CA C 13 56.863 0.300 . 1 . . . . 18 SER CA . 11373 1 77 . 1 1 18 18 SER CB C 13 63.253 0.300 . 1 . . . . 18 SER CB . 11373 1 78 . 1 1 18 18 SER N N 15 120.828 0.300 . 1 . . . . 18 SER N . 11373 1 79 . 1 1 19 19 PRO C C 13 176.304 0.300 . 1 . . . . 19 PRO C . 11373 1 80 . 1 1 19 19 PRO CA C 13 65.254 0.300 . 1 . . . . 19 PRO CA . 11373 1 81 . 1 1 19 19 PRO CB C 13 32.004 0.300 . 1 . . . . 19 PRO CB . 11373 1 82 . 1 1 20 20 GLU H H 1 8.918 0.030 . 1 . . . . 20 GLU H . 11373 1 83 . 1 1 20 20 GLU C C 13 176.742 0.300 . 1 . . . . 20 GLU C . 11373 1 84 . 1 1 20 20 GLU CA C 13 56.606 0.300 . 1 . . . . 20 GLU CA . 11373 1 85 . 1 1 20 20 GLU CB C 13 29.100 0.300 . 1 . . . . 20 GLU CB . 11373 1 86 . 1 1 20 20 GLU N N 15 116.079 0.300 . 1 . . . . 20 GLU N . 11373 1 87 . 1 1 21 21 ILE H H 1 7.329 0.030 . 1 . . . . 21 ILE H . 11373 1 88 . 1 1 21 21 ILE C C 13 176.844 0.300 . 1 . . . . 21 ILE C . 11373 1 89 . 1 1 21 21 ILE CA C 13 59.425 0.300 . 1 . . . . 21 ILE CA . 11373 1 90 . 1 1 21 21 ILE CB C 13 35.230 0.300 . 1 . . . . 21 ILE CB . 11373 1 91 . 1 1 21 21 ILE N N 15 121.623 0.300 . 1 . . . . 21 ILE N . 11373 1 92 . 1 1 22 22 THR H H 1 9.331 0.030 . 1 . . . . 22 THR H . 11373 1 93 . 1 1 22 22 THR C C 13 176.269 0.300 . 1 . . . . 22 THR C . 11373 1 94 . 1 1 22 22 THR CA C 13 59.989 0.300 . 1 . . . . 22 THR CA . 11373 1 95 . 1 1 22 22 THR CB C 13 73.244 0.300 . 1 . . . . 22 THR CB . 11373 1 96 . 1 1 22 22 THR N N 15 120.719 0.300 . 1 . . . . 22 THR N . 11373 1 97 . 1 1 23 23 THR H H 1 8.995 0.030 . 1 . . . . 23 THR H . 11373 1 98 . 1 1 23 23 THR C C 13 175.527 0.300 . 1 . . . . 23 THR C . 11373 1 99 . 1 1 23 23 THR CA C 13 66.602 0.300 . 1 . . . . 23 THR CA . 11373 1 100 . 1 1 23 23 THR CB C 13 68.815 0.300 . 1 . . . . 23 THR CB . 11373 1 101 . 1 1 23 23 THR N N 15 118.015 0.300 . 1 . . . . 23 THR N . 11373 1 102 . 1 1 24 24 GLU H H 1 8.386 0.030 . 1 . . . . 24 GLU H . 11373 1 103 . 1 1 24 24 GLU C C 13 179.171 0.300 . 1 . . . . 24 GLU C . 11373 1 104 . 1 1 24 24 GLU CA C 13 60.399 0.300 . 1 . . . . 24 GLU CA . 11373 1 105 . 1 1 24 24 GLU CB C 13 28.584 0.300 . 1 . . . . 24 GLU CB . 11373 1 106 . 1 1 24 24 GLU N N 15 119.945 0.300 . 1 . . . . 24 GLU N . 11373 1 107 . 1 1 25 25 ASP H H 1 7.699 0.030 . 1 . . . . 25 ASP H . 11373 1 108 . 1 1 25 25 ASP C C 13 179.811 0.300 . 1 . . . . 25 ASP C . 11373 1 109 . 1 1 25 25 ASP CA C 13 57.323 0.300 . 1 . . . . 25 ASP CA . 11373 1 110 . 1 1 25 25 ASP CB C 13 41.565 0.300 . 1 . . . . 25 ASP CB . 11373 1 111 . 1 1 25 25 ASP N N 15 120.098 0.300 . 1 . . . . 25 ASP N . 11373 1 112 . 1 1 26 26 ILE H H 1 7.893 0.030 . 1 . . . . 26 ILE H . 11373 1 113 . 1 1 26 26 ILE C C 13 177.449 0.300 . 1 . . . . 26 ILE C . 11373 1 114 . 1 1 26 26 ILE CA C 13 64.197 0.300 . 1 . . . . 26 ILE CA . 11373 1 115 . 1 1 26 26 ILE CB C 13 37.092 0.300 . 1 . . . . 26 ILE CB . 11373 1 116 . 1 1 26 26 ILE N N 15 118.622 0.300 . 1 . . . . 26 ILE N . 11373 1 117 . 1 1 27 27 LYS H H 1 8.271 0.030 . 1 . . . . 27 LYS H . 11373 1 118 . 1 1 27 27 LYS C C 13 177.799 0.300 . 1 . . . . 27 LYS C . 11373 1 119 . 1 1 27 27 LYS CA C 13 60.809 0.300 . 1 . . . . 27 LYS CA . 11373 1 120 . 1 1 27 27 LYS CB C 13 32.087 0.300 . 1 . . . . 27 LYS CB . 11373 1 121 . 1 1 27 27 LYS N N 15 121.572 0.300 . 1 . . . . 27 LYS N . 11373 1 122 . 1 1 28 28 ALA H H 1 7.752 0.030 . 1 . . . . 28 ALA H . 11373 1 123 . 1 1 28 28 ALA C C 13 180.294 0.300 . 1 . . . . 28 ALA C . 11373 1 124 . 1 1 28 28 ALA CA C 13 54.863 0.300 . 1 . . . . 28 ALA CA . 11373 1 125 . 1 1 28 28 ALA CB C 13 17.922 0.300 . 1 . . . . 28 ALA CB . 11373 1 126 . 1 1 28 28 ALA N N 15 118.316 0.300 . 1 . . . . 28 ALA N . 11373 1 127 . 1 1 29 29 ALA H H 1 7.804 0.030 . 1 . . . . 29 ALA H . 11373 1 128 . 1 1 29 29 ALA C C 13 177.787 0.300 . 1 . . . . 29 ALA C . 11373 1 129 . 1 1 29 29 ALA CA C 13 53.735 0.300 . 1 . . . . 29 ALA CA . 11373 1 130 . 1 1 29 29 ALA CB C 13 19.106 0.300 . 1 . . . . 29 ALA CB . 11373 1 131 . 1 1 29 29 ALA N N 15 117.989 0.300 . 1 . . . . 29 ALA N . 11373 1 132 . 1 1 30 30 PHE H H 1 7.954 0.030 . 1 . . . . 30 PHE H . 11373 1 133 . 1 1 30 30 PHE C C 13 175.437 0.300 . 1 . . . . 30 PHE C . 11373 1 134 . 1 1 30 30 PHE CA C 13 59.630 0.300 . 1 . . . . 30 PHE CA . 11373 1 135 . 1 1 30 30 PHE CB C 13 40.432 0.300 . 1 . . . . 30 PHE CB . 11373 1 136 . 1 1 30 30 PHE N N 15 112.051 0.300 . 1 . . . . 30 PHE N . 11373 1 137 . 1 1 31 31 ALA H H 1 8.050 0.030 . 1 . . . . 31 ALA H . 11373 1 138 . 1 1 31 31 ALA C C 13 176.366 0.300 . 1 . . . . 31 ALA C . 11373 1 139 . 1 1 31 31 ALA CA C 13 55.528 0.300 . 1 . . . . 31 ALA CA . 11373 1 140 . 1 1 31 31 ALA CB C 13 16.784 0.300 . 1 . . . . 31 ALA CB . 11373 1 141 . 1 1 31 31 ALA N N 15 125.086 0.300 . 1 . . . . 31 ALA N . 11373 1 142 . 1 1 32 32 PRO C C 13 177.365 0.300 . 1 . . . . 32 PRO C . 11373 1 143 . 1 1 32 32 PRO CA C 13 64.947 0.300 . 1 . . . . 32 PRO CA . 11373 1 144 . 1 1 32 32 PRO CB C 13 30.976 0.300 . 1 . . . . 32 PRO CB . 11373 1 145 . 1 1 33 33 PHE H H 1 7.695 0.030 . 1 . . . . 33 PHE H . 11373 1 146 . 1 1 33 33 PHE C C 13 174.556 0.300 . 1 . . . . 33 PHE C . 11373 1 147 . 1 1 33 33 PHE CA C 13 59.528 0.300 . 1 . . . . 33 PHE CA . 11373 1 148 . 1 1 33 33 PHE CB C 13 38.989 0.300 . 1 . . . . 33 PHE CB . 11373 1 149 . 1 1 33 33 PHE N N 15 112.629 0.300 . 1 . . . . 33 PHE N . 11373 1 150 . 1 1 34 34 GLY H H 1 7.598 0.030 . 1 . . . . 34 GLY H . 11373 1 151 . 1 1 34 34 GLY C C 13 171.582 0.300 . 1 . . . . 34 GLY C . 11373 1 152 . 1 1 34 34 GLY CA C 13 44.456 0.300 . 1 . . . . 34 GLY CA . 11373 1 153 . 1 1 34 34 GLY N N 15 104.637 0.300 . 1 . . . . 34 GLY N . 11373 1 154 . 1 1 35 35 ARG H H 1 8.238 0.030 . 1 . . . . 35 ARG H . 11373 1 155 . 1 1 35 35 ARG C C 13 176.974 0.300 . 1 . . . . 35 ARG C . 11373 1 156 . 1 1 35 35 ARG CA C 13 57.784 0.300 . 1 . . . . 35 ARG CA . 11373 1 157 . 1 1 35 35 ARG CB C 13 30.902 0.300 . 1 . . . . 35 ARG CB . 11373 1 158 . 1 1 35 35 ARG N N 15 117.006 0.300 . 1 . . . . 35 ARG N . 11373 1 159 . 1 1 36 36 ILE H H 1 8.504 0.030 . 1 . . . . 36 ILE H . 11373 1 160 . 1 1 36 36 ILE C C 13 176.786 0.300 . 1 . . . . 36 ILE C . 11373 1 161 . 1 1 36 36 ILE CA C 13 60.297 0.300 . 1 . . . . 36 ILE CA . 11373 1 162 . 1 1 36 36 ILE CB C 13 40.742 0.300 . 1 . . . . 36 ILE CB . 11373 1 163 . 1 1 36 36 ILE N N 15 127.962 0.300 . 1 . . . . 36 ILE N . 11373 1 164 . 1 1 37 37 SER H H 1 8.846 0.030 . 1 . . . . 37 SER H . 11373 1 165 . 1 1 37 37 SER C C 13 174.673 0.300 . 1 . . . . 37 SER C . 11373 1 166 . 1 1 37 37 SER CA C 13 57.990 0.300 . 1 . . . . 37 SER CA . 11373 1 167 . 1 1 37 37 SER CB C 13 63.148 0.300 . 1 . . . . 37 SER CB . 11373 1 168 . 1 1 37 37 SER N N 15 123.252 0.300 . 1 . . . . 37 SER N . 11373 1 169 . 1 1 38 38 ASP H H 1 7.271 0.030 . 1 . . . . 38 ASP H . 11373 1 170 . 1 1 38 38 ASP C C 13 172.747 0.300 . 1 . . . . 38 ASP C . 11373 1 171 . 1 1 38 38 ASP CA C 13 53.581 0.300 . 1 . . . . 38 ASP CA . 11373 1 172 . 1 1 38 38 ASP CB C 13 43.677 0.300 . 1 . . . . 38 ASP CB . 11373 1 173 . 1 1 38 38 ASP N N 15 119.582 0.300 . 1 . . . . 38 ASP N . 11373 1 174 . 1 1 39 39 ALA H H 1 7.967 0.030 . 1 . . . . 39 ALA H . 11373 1 175 . 1 1 39 39 ALA C C 13 175.206 0.300 . 1 . . . . 39 ALA C . 11373 1 176 . 1 1 39 39 ALA CA C 13 51.633 0.300 . 1 . . . . 39 ALA CA . 11373 1 177 . 1 1 39 39 ALA CB C 13 22.507 0.300 . 1 . . . . 39 ALA CB . 11373 1 178 . 1 1 39 39 ALA N N 15 121.411 0.300 . 1 . . . . 39 ALA N . 11373 1 179 . 1 1 40 40 ARG H H 1 8.636 0.030 . 1 . . . . 40 ARG H . 11373 1 180 . 1 1 40 40 ARG C C 13 174.275 0.300 . 1 . . . . 40 ARG C . 11373 1 181 . 1 1 40 40 ARG CA C 13 55.632 0.300 . 1 . . . . 40 ARG CA . 11373 1 182 . 1 1 40 40 ARG CB C 13 33.169 0.300 . 1 . . . . 40 ARG CB . 11373 1 183 . 1 1 40 40 ARG N N 15 116.135 0.300 . 1 . . . . 40 ARG N . 11373 1 184 . 1 1 41 41 VAL H H 1 7.724 0.030 . 1 . . . . 41 VAL H . 11373 1 185 . 1 1 41 41 VAL C C 13 175.607 0.300 . 1 . . . . 41 VAL C . 11373 1 186 . 1 1 41 41 VAL CA C 13 62.552 0.300 . 1 . . . . 41 VAL CA . 11373 1 187 . 1 1 41 41 VAL CB C 13 33.221 0.300 . 1 . . . . 41 VAL CB . 11373 1 188 . 1 1 41 41 VAL N N 15 122.860 0.300 . 1 . . . . 41 VAL N . 11373 1 189 . 1 1 42 42 VAL H H 1 8.603 0.030 . 1 . . . . 42 VAL H . 11373 1 190 . 1 1 42 42 VAL C C 13 174.047 0.300 . 1 . . . . 42 VAL C . 11373 1 191 . 1 1 42 42 VAL CA C 13 63.424 0.300 . 1 . . . . 42 VAL CA . 11373 1 192 . 1 1 42 42 VAL CB C 13 31.160 0.300 . 1 . . . . 42 VAL CB . 11373 1 193 . 1 1 42 42 VAL N N 15 130.023 0.300 . 1 . . . . 42 VAL N . 11373 1 194 . 1 1 43 43 LYS H H 1 8.179 0.030 . 1 . . . . 43 LYS H . 11373 1 195 . 1 1 43 43 LYS C C 13 175.881 0.300 . 1 . . . . 43 LYS C . 11373 1 196 . 1 1 43 43 LYS CA C 13 54.811 0.300 . 1 . . . . 43 LYS CA . 11373 1 197 . 1 1 43 43 LYS CB C 13 35.229 0.300 . 1 . . . . 43 LYS CB . 11373 1 198 . 1 1 43 43 LYS N N 15 125.648 0.300 . 1 . . . . 43 LYS N . 11373 1 199 . 1 1 44 44 ASP H H 1 8.657 0.030 . 1 . . . . 44 ASP H . 11373 1 200 . 1 1 44 44 ASP C C 13 176.550 0.300 . 1 . . . . 44 ASP C . 11373 1 201 . 1 1 44 44 ASP CA C 13 53.632 0.300 . 1 . . . . 44 ASP CA . 11373 1 202 . 1 1 44 44 ASP CB C 13 41.978 0.300 . 1 . . . . 44 ASP CB . 11373 1 203 . 1 1 44 44 ASP N N 15 121.889 0.300 . 1 . . . . 44 ASP N . 11373 1 204 . 1 1 45 45 MET H H 1 8.683 0.030 . 1 . . . . 45 MET H . 11373 1 205 . 1 1 45 45 MET C C 13 177.178 0.300 . 1 . . . . 45 MET C . 11373 1 206 . 1 1 45 45 MET CA C 13 56.452 0.300 . 1 . . . . 45 MET CA . 11373 1 207 . 1 1 45 45 MET CB C 13 31.904 0.300 . 1 . . . . 45 MET CB . 11373 1 208 . 1 1 45 45 MET N N 15 123.190 0.300 . 1 . . . . 45 MET N . 11373 1 209 . 1 1 46 46 ALA H H 1 8.306 0.030 . 1 . . . . 46 ALA H . 11373 1 210 . 1 1 46 46 ALA C C 13 178.406 0.300 . 1 . . . . 46 ALA C . 11373 1 211 . 1 1 46 46 ALA CA C 13 53.787 0.300 . 1 . . . . 46 ALA CA . 11373 1 212 . 1 1 46 46 ALA CB C 13 18.746 0.300 . 1 . . . . 46 ALA CB . 11373 1 213 . 1 1 46 46 ALA N N 15 123.148 0.300 . 1 . . . . 46 ALA N . 11373 1 214 . 1 1 47 47 ALA H H 1 8.143 0.030 . 1 . . . . 47 ALA H . 11373 1 215 . 1 1 47 47 ALA C C 13 178.418 0.300 . 1 . . . . 47 ALA C . 11373 1 216 . 1 1 47 47 ALA CA C 13 52.145 0.300 . 1 . . . . 47 ALA CA . 11373 1 217 . 1 1 47 47 ALA CB C 13 19.467 0.300 . 1 . . . . 47 ALA CB . 11373 1 218 . 1 1 47 47 ALA N N 15 119.675 0.300 . 1 . . . . 47 ALA N . 11373 1 219 . 1 1 48 48 GLY H H 1 8.151 0.030 . 1 . . . . 48 GLY H . 11373 1 220 . 1 1 48 48 GLY C C 13 174.106 0.300 . 1 . . . . 48 GLY C . 11373 1 221 . 1 1 48 48 GLY CA C 13 46.251 0.300 . 1 . . . . 48 GLY CA . 11373 1 222 . 1 1 48 48 GLY N N 15 107.730 0.300 . 1 . . . . 48 GLY N . 11373 1 223 . 1 1 49 49 LYS H H 1 7.557 0.030 . 1 . . . . 49 LYS H . 11373 1 224 . 1 1 49 49 LYS C C 13 175.761 0.300 . 1 . . . . 49 LYS C . 11373 1 225 . 1 1 49 49 LYS CA C 13 55.017 0.300 . 1 . . . . 49 LYS CA . 11373 1 226 . 1 1 49 49 LYS CB C 13 34.838 0.300 . 1 . . . . 49 LYS CB . 11373 1 227 . 1 1 49 49 LYS N N 15 117.913 0.300 . 1 . . . . 49 LYS N . 11373 1 228 . 1 1 50 50 SER H H 1 8.718 0.030 . 1 . . . . 50 SER H . 11373 1 229 . 1 1 50 50 SER C C 13 176.185 0.300 . 1 . . . . 50 SER C . 11373 1 230 . 1 1 50 50 SER CA C 13 58.294 0.300 . 1 . . . . 50 SER CA . 11373 1 231 . 1 1 50 50 SER CB C 13 63.894 0.300 . 1 . . . . 50 SER CB . 11373 1 232 . 1 1 50 50 SER N N 15 116.073 0.300 . 1 . . . . 50 SER N . 11373 1 233 . 1 1 51 51 LYS H H 1 9.059 0.030 . 1 . . . . 51 LYS H . 11373 1 234 . 1 1 51 51 LYS C C 13 176.928 0.300 . 1 . . . . 51 LYS C . 11373 1 235 . 1 1 51 51 LYS CA C 13 56.401 0.300 . 1 . . . . 51 LYS CA . 11373 1 236 . 1 1 51 51 LYS CB C 13 32.706 0.300 . 1 . . . . 51 LYS CB . 11373 1 237 . 1 1 51 51 LYS N N 15 124.763 0.300 . 1 . . . . 51 LYS N . 11373 1 238 . 1 1 52 52 GLY H H 1 9.057 0.030 . 1 . . . . 52 GLY H . 11373 1 239 . 1 1 52 52 GLY C C 13 172.698 0.300 . 1 . . . . 52 GLY C . 11373 1 240 . 1 1 52 52 GLY CA C 13 45.533 0.300 . 1 . . . . 52 GLY CA . 11373 1 241 . 1 1 52 52 GLY N N 15 107.733 0.300 . 1 . . . . 52 GLY N . 11373 1 242 . 1 1 53 53 TYR H H 1 7.373 0.030 . 1 . . . . 53 TYR H . 11373 1 243 . 1 1 53 53 TYR C C 13 172.355 0.300 . 1 . . . . 53 TYR C . 11373 1 244 . 1 1 53 53 TYR CA C 13 55.324 0.300 . 1 . . . . 53 TYR CA . 11373 1 245 . 1 1 53 53 TYR CB C 13 40.431 0.300 . 1 . . . . 53 TYR CB . 11373 1 246 . 1 1 53 53 TYR N N 15 114.149 0.300 . 1 . . . . 53 TYR N . 11373 1 247 . 1 1 54 54 GLY H H 1 8.914 0.030 . 1 . . . . 54 GLY H . 11373 1 248 . 1 1 54 54 GLY C C 13 169.536 0.300 . 1 . . . . 54 GLY C . 11373 1 249 . 1 1 54 54 GLY CA C 13 45.174 0.300 . 1 . . . . 54 GLY CA . 11373 1 250 . 1 1 54 54 GLY N N 15 106.484 0.300 . 1 . . . . 54 GLY N . 11373 1 251 . 1 1 55 55 PHE H H 1 8.485 0.030 . 1 . . . . 55 PHE H . 11373 1 252 . 1 1 55 55 PHE C C 13 174.629 0.300 . 1 . . . . 55 PHE C . 11373 1 253 . 1 1 55 55 PHE CA C 13 55.837 0.300 . 1 . . . . 55 PHE CA . 11373 1 254 . 1 1 55 55 PHE CB C 13 44.192 0.300 . 1 . . . . 55 PHE CB . 11373 1 255 . 1 1 55 55 PHE N N 15 114.302 0.300 . 1 . . . . 55 PHE N . 11373 1 256 . 1 1 56 56 VAL H H 1 8.942 0.030 . 1 . . . . 56 VAL H . 11373 1 257 . 1 1 56 56 VAL C C 13 173.768 0.300 . 1 . . . . 56 VAL C . 11373 1 258 . 1 1 56 56 VAL CA C 13 61.168 0.300 . 1 . . . . 56 VAL CA . 11373 1 259 . 1 1 56 56 VAL CB C 13 34.845 0.300 . 1 . . . . 56 VAL CB . 11373 1 260 . 1 1 56 56 VAL N N 15 120.267 0.300 . 1 . . . . 56 VAL N . 11373 1 261 . 1 1 57 57 SER H H 1 8.735 0.030 . 1 . . . . 57 SER H . 11373 1 262 . 1 1 57 57 SER C C 13 172.784 0.300 . 1 . . . . 57 SER C . 11373 1 263 . 1 1 57 57 SER CA C 13 57.272 0.300 . 1 . . . . 57 SER CA . 11373 1 264 . 1 1 57 57 SER CB C 13 64.028 0.300 . 1 . . . . 57 SER CB . 11373 1 265 . 1 1 57 57 SER N N 15 122.329 0.300 . 1 . . . . 57 SER N . 11373 1 266 . 1 1 58 58 PHE H H 1 9.265 0.030 . 1 . . . . 58 PHE H . 11373 1 267 . 1 1 58 58 PHE C C 13 175.778 0.300 . 1 . . . . 58 PHE C . 11373 1 268 . 1 1 58 58 PHE CA C 13 56.965 0.300 . 1 . . . . 58 PHE CA . 11373 1 269 . 1 1 58 58 PHE CB C 13 42.389 0.300 . 1 . . . . 58 PHE CB . 11373 1 270 . 1 1 58 58 PHE N N 15 122.079 0.300 . 1 . . . . 58 PHE N . 11373 1 271 . 1 1 59 59 PHE H H 1 7.710 0.030 . 1 . . . . 59 PHE H . 11373 1 272 . 1 1 59 59 PHE C C 13 175.850 0.300 . 1 . . . . 59 PHE C . 11373 1 273 . 1 1 59 59 PHE CA C 13 61.373 0.300 . 1 . . . . 59 PHE CA . 11373 1 274 . 1 1 59 59 PHE CB C 13 40.071 0.300 . 1 . . . . 59 PHE CB . 11373 1 275 . 1 1 59 59 PHE N N 15 117.940 0.300 . 1 . . . . 59 PHE N . 11373 1 276 . 1 1 60 60 ASN H H 1 8.652 0.030 . 1 . . . . 60 ASN H . 11373 1 277 . 1 1 60 60 ASN C C 13 174.767 0.300 . 1 . . . . 60 ASN C . 11373 1 278 . 1 1 60 60 ASN CA C 13 51.531 0.300 . 1 . . . . 60 ASN CA . 11373 1 279 . 1 1 60 60 ASN CB C 13 40.587 0.300 . 1 . . . . 60 ASN CB . 11373 1 280 . 1 1 60 60 ASN N N 15 114.168 0.300 . 1 . . . . 60 ASN N . 11373 1 281 . 1 1 61 61 LYS H H 1 8.161 0.030 . 1 . . . . 61 LYS H . 11373 1 282 . 1 1 61 61 LYS C C 13 177.121 0.300 . 1 . . . . 61 LYS C . 11373 1 283 . 1 1 61 61 LYS CA C 13 60.143 0.300 . 1 . . . . 61 LYS CA . 11373 1 284 . 1 1 61 61 LYS CB C 13 32.087 0.300 . 1 . . . . 61 LYS CB . 11373 1 285 . 1 1 61 61 LYS N N 15 126.641 0.300 . 1 . . . . 61 LYS N . 11373 1 286 . 1 1 62 62 TRP H H 1 7.568 0.030 . 1 . . . . 62 TRP H . 11373 1 287 . 1 1 62 62 TRP C C 13 177.840 0.300 . 1 . . . . 62 TRP C . 11373 1 288 . 1 1 62 62 TRP CA C 13 59.476 0.300 . 1 . . . . 62 TRP CA . 11373 1 289 . 1 1 62 62 TRP CB C 13 27.935 0.300 . 1 . . . . 62 TRP CB . 11373 1 290 . 1 1 62 62 TRP N N 15 116.589 0.300 . 1 . . . . 62 TRP N . 11373 1 291 . 1 1 63 63 ASP H H 1 6.868 0.030 . 1 . . . . 63 ASP H . 11373 1 292 . 1 1 63 63 ASP C C 13 176.500 0.300 . 1 . . . . 63 ASP C . 11373 1 293 . 1 1 63 63 ASP CA C 13 56.605 0.300 . 1 . . . . 63 ASP CA . 11373 1 294 . 1 1 63 63 ASP CB C 13 40.638 0.300 . 1 . . . . 63 ASP CB . 11373 1 295 . 1 1 63 63 ASP N N 15 121.271 0.300 . 1 . . . . 63 ASP N . 11373 1 296 . 1 1 64 64 ALA H H 1 6.588 0.030 . 1 . . . . 64 ALA H . 11373 1 297 . 1 1 64 64 ALA C C 13 177.915 0.300 . 1 . . . . 64 ALA C . 11373 1 298 . 1 1 64 64 ALA CA C 13 54.401 0.300 . 1 . . . . 64 ALA CA . 11373 1 299 . 1 1 64 64 ALA CB C 13 19.209 0.300 . 1 . . . . 64 ALA CB . 11373 1 300 . 1 1 64 64 ALA N N 15 119.724 0.300 . 1 . . . . 64 ALA N . 11373 1 301 . 1 1 65 65 GLU H H 1 8.300 0.030 . 1 . . . . 65 GLU H . 11373 1 302 . 1 1 65 65 GLU C C 13 178.959 0.300 . 1 . . . . 65 GLU C . 11373 1 303 . 1 1 65 65 GLU CA C 13 59.630 0.300 . 1 . . . . 65 GLU CA . 11373 1 304 . 1 1 65 65 GLU CB C 13 30.316 0.300 . 1 . . . . 65 GLU CB . 11373 1 305 . 1 1 65 65 GLU N N 15 117.115 0.300 . 1 . . . . 65 GLU N . 11373 1 306 . 1 1 66 66 ASN H H 1 7.914 0.030 . 1 . . . . 66 ASN H . 11373 1 307 . 1 1 66 66 ASN C C 13 176.317 0.300 . 1 . . . . 66 ASN C . 11373 1 308 . 1 1 66 66 ASN CA C 13 55.632 0.300 . 1 . . . . 66 ASN CA . 11373 1 309 . 1 1 66 66 ASN CB C 13 38.165 0.300 . 1 . . . . 66 ASN CB . 11373 1 310 . 1 1 66 66 ASN N N 15 117.955 0.300 . 1 . . . . 66 ASN N . 11373 1 311 . 1 1 67 67 ALA H H 1 7.864 0.030 . 1 . . . . 67 ALA H . 11373 1 312 . 1 1 67 67 ALA C C 13 179.369 0.300 . 1 . . . . 67 ALA C . 11373 1 313 . 1 1 67 67 ALA CA C 13 54.965 0.300 . 1 . . . . 67 ALA CA . 11373 1 314 . 1 1 67 67 ALA CB C 13 19.158 0.300 . 1 . . . . 67 ALA CB . 11373 1 315 . 1 1 67 67 ALA N N 15 121.670 0.300 . 1 . . . . 67 ALA N . 11373 1 316 . 1 1 68 68 ILE H H 1 8.071 0.030 . 1 . . . . 68 ILE H . 11373 1 317 . 1 1 68 68 ILE C C 13 179.081 0.300 . 1 . . . . 68 ILE C . 11373 1 318 . 1 1 68 68 ILE CA C 13 66.243 0.300 . 1 . . . . 68 ILE CA . 11373 1 319 . 1 1 68 68 ILE CB C 13 38.320 0.300 . 1 . . . . 68 ILE CB . 11373 1 320 . 1 1 68 68 ILE N N 15 116.542 0.300 . 1 . . . . 68 ILE N . 11373 1 321 . 1 1 69 69 GLN H H 1 7.625 0.030 . 1 . . . . 69 GLN H . 11373 1 322 . 1 1 69 69 GLN C C 13 178.520 0.300 . 1 . . . . 69 GLN C . 11373 1 323 . 1 1 69 69 GLN CA C 13 58.493 0.300 . 1 . . . . 69 GLN CA . 11373 1 324 . 1 1 69 69 GLN CB C 13 28.636 0.300 . 1 . . . . 69 GLN CB . 11373 1 325 . 1 1 69 69 GLN N N 15 117.152 0.300 . 1 . . . . 69 GLN N . 11373 1 326 . 1 1 70 70 GLN H H 1 8.413 0.030 . 1 . . . . 70 GLN H . 11373 1 327 . 1 1 70 70 GLN C C 13 178.269 0.300 . 1 . . . . 70 GLN C . 11373 1 328 . 1 1 70 70 GLN CA C 13 57.436 0.300 . 1 . . . . 70 GLN CA . 11373 1 329 . 1 1 70 70 GLN CB C 13 29.203 0.300 . 1 . . . . 70 GLN CB . 11373 1 330 . 1 1 70 70 GLN N N 15 114.732 0.300 . 1 . . . . 70 GLN N . 11373 1 331 . 1 1 71 71 MET H H 1 7.683 0.030 . 1 . . . . 71 MET H . 11373 1 332 . 1 1 71 71 MET C C 13 177.432 0.300 . 1 . . . . 71 MET C . 11373 1 333 . 1 1 71 71 MET CA C 13 53.683 0.300 . 1 . . . . 71 MET CA . 11373 1 334 . 1 1 71 71 MET CB C 13 30.851 0.300 . 1 . . . . 71 MET CB . 11373 1 335 . 1 1 71 71 MET N N 15 113.171 0.300 . 1 . . . . 71 MET N . 11373 1 336 . 1 1 72 72 GLY H H 1 7.040 0.030 . 1 . . . . 72 GLY H . 11373 1 337 . 1 1 72 72 GLY C C 13 175.497 0.300 . 1 . . . . 72 GLY C . 11373 1 338 . 1 1 72 72 GLY CA C 13 49.019 0.300 . 1 . . . . 72 GLY CA . 11373 1 339 . 1 1 72 72 GLY N N 15 107.002 0.300 . 1 . . . . 72 GLY N . 11373 1 340 . 1 1 73 73 GLY H H 1 8.447 0.030 . 1 . . . . 73 GLY H . 11373 1 341 . 1 1 73 73 GLY C C 13 174.504 0.300 . 1 . . . . 73 GLY C . 11373 1 342 . 1 1 73 73 GLY CA C 13 45.840 0.300 . 1 . . . . 73 GLY CA . 11373 1 343 . 1 1 73 73 GLY N N 15 115.302 0.300 . 1 . . . . 73 GLY N . 11373 1 344 . 1 1 74 74 GLN H H 1 7.605 0.030 . 1 . . . . 74 GLN H . 11373 1 345 . 1 1 74 74 GLN C C 13 174.930 0.300 . 1 . . . . 74 GLN C . 11373 1 346 . 1 1 74 74 GLN CA C 13 55.119 0.300 . 1 . . . . 74 GLN CA . 11373 1 347 . 1 1 74 74 GLN CB C 13 28.687 0.300 . 1 . . . . 74 GLN CB . 11373 1 348 . 1 1 74 74 GLN N N 15 119.020 0.300 . 1 . . . . 74 GLN N . 11373 1 349 . 1 1 75 75 TRP H H 1 8.627 0.030 . 1 . . . . 75 TRP H . 11373 1 350 . 1 1 75 75 TRP C C 13 176.495 0.300 . 1 . . . . 75 TRP C . 11373 1 351 . 1 1 75 75 TRP CA C 13 57.580 0.300 . 1 . . . . 75 TRP CA . 11373 1 352 . 1 1 75 75 TRP CB C 13 28.842 0.300 . 1 . . . . 75 TRP CB . 11373 1 353 . 1 1 75 75 TRP N N 15 120.919 0.300 . 1 . . . . 75 TRP N . 11373 1 354 . 1 1 76 76 LEU H H 1 8.604 0.030 . 1 . . . . 76 LEU H . 11373 1 355 . 1 1 76 76 LEU C C 13 176.718 0.300 . 1 . . . . 76 LEU C . 11373 1 356 . 1 1 76 76 LEU CA C 13 54.811 0.300 . 1 . . . . 76 LEU CA . 11373 1 357 . 1 1 76 76 LEU CB C 13 43.986 0.300 . 1 . . . . 76 LEU CB . 11373 1 358 . 1 1 76 76 LEU N N 15 125.820 0.300 . 1 . . . . 76 LEU N . 11373 1 359 . 1 1 77 77 GLY H H 1 9.336 0.030 . 1 . . . . 77 GLY H . 11373 1 360 . 1 1 77 77 GLY C C 13 175.656 0.300 . 1 . . . . 77 GLY C . 11373 1 361 . 1 1 77 77 GLY CA C 13 47.584 0.300 . 1 . . . . 77 GLY CA . 11373 1 362 . 1 1 77 77 GLY N N 15 115.475 0.300 . 1 . . . . 77 GLY N . 11373 1 363 . 1 1 78 78 GLY H H 1 8.757 0.030 . 1 . . . . 78 GLY H . 11373 1 364 . 1 1 78 78 GLY C C 13 173.704 0.300 . 1 . . . . 78 GLY C . 11373 1 365 . 1 1 78 78 GLY CA C 13 45.738 0.300 . 1 . . . . 78 GLY CA . 11373 1 366 . 1 1 78 78 GLY N N 15 107.580 0.300 . 1 . . . . 78 GLY N . 11373 1 367 . 1 1 79 79 ARG H H 1 7.619 0.030 . 1 . . . . 79 ARG H . 11373 1 368 . 1 1 79 79 ARG C C 13 173.686 0.300 . 1 . . . . 79 ARG C . 11373 1 369 . 1 1 79 79 ARG CA C 13 54.863 0.300 . 1 . . . . 79 ARG CA . 11373 1 370 . 1 1 79 79 ARG CB C 13 33.942 0.300 . 1 . . . . 79 ARG CB . 11373 1 371 . 1 1 79 79 ARG N N 15 118.454 0.300 . 1 . . . . 79 ARG N . 11373 1 372 . 1 1 80 80 GLN H H 1 7.826 0.030 . 1 . . . . 80 GLN H . 11373 1 373 . 1 1 80 80 GLN C C 13 176.138 0.300 . 1 . . . . 80 GLN C . 11373 1 374 . 1 1 80 80 GLN CA C 13 55.119 0.300 . 1 . . . . 80 GLN CA . 11373 1 375 . 1 1 80 80 GLN CB C 13 29.666 0.300 . 1 . . . . 80 GLN CB . 11373 1 376 . 1 1 80 80 GLN N N 15 121.784 0.300 . 1 . . . . 80 GLN N . 11373 1 377 . 1 1 81 81 ILE H H 1 8.161 0.030 . 1 . . . . 81 ILE H . 11373 1 378 . 1 1 81 81 ILE C C 13 176.070 0.300 . 1 . . . . 81 ILE C . 11373 1 379 . 1 1 81 81 ILE CA C 13 60.706 0.300 . 1 . . . . 81 ILE CA . 11373 1 380 . 1 1 81 81 ILE CB C 13 40.020 0.300 . 1 . . . . 81 ILE CB . 11373 1 381 . 1 1 81 81 ILE N N 15 118.282 0.300 . 1 . . . . 81 ILE N . 11373 1 382 . 1 1 82 82 ARG H H 1 7.888 0.030 . 1 . . . . 82 ARG H . 11373 1 383 . 1 1 82 82 ARG C C 13 175.262 0.300 . 1 . . . . 82 ARG C . 11373 1 384 . 1 1 82 82 ARG CA C 13 53.735 0.300 . 1 . . . . 82 ARG CA . 11373 1 385 . 1 1 82 82 ARG CB C 13 33.376 0.300 . 1 . . . . 82 ARG CB . 11373 1 386 . 1 1 82 82 ARG N N 15 119.739 0.300 . 1 . . . . 82 ARG N . 11373 1 387 . 1 1 83 83 THR H H 1 8.415 0.030 . 1 . . . . 83 THR H . 11373 1 388 . 1 1 83 83 THR C C 13 174.176 0.300 . 1 . . . . 83 THR C . 11373 1 389 . 1 1 83 83 THR CA C 13 58.400 0.300 . 1 . . . . 83 THR CA . 11373 1 390 . 1 1 83 83 THR CB C 13 71.132 0.300 . 1 . . . . 83 THR CB . 11373 1 391 . 1 1 83 83 THR N N 15 110.762 0.300 . 1 . . . . 83 THR N . 11373 1 392 . 1 1 84 84 ASN H H 1 8.614 0.030 . 1 . . . . 84 ASN H . 11373 1 393 . 1 1 84 84 ASN C C 13 174.232 0.300 . 1 . . . . 84 ASN C . 11373 1 394 . 1 1 84 84 ASN CA C 13 52.608 0.300 . 1 . . . . 84 ASN CA . 11373 1 395 . 1 1 84 84 ASN CB C 13 42.132 0.300 . 1 . . . . 84 ASN CB . 11373 1 396 . 1 1 84 84 ASN N N 15 114.929 0.300 . 1 . . . . 84 ASN N . 11373 1 397 . 1 1 85 85 TRP H H 1 8.771 0.030 . 1 . . . . 85 TRP H . 11373 1 398 . 1 1 85 85 TRP C C 13 177.373 0.300 . 1 . . . . 85 TRP C . 11373 1 399 . 1 1 85 85 TRP CA C 13 58.144 0.300 . 1 . . . . 85 TRP CA . 11373 1 400 . 1 1 85 85 TRP CB C 13 30.336 0.300 . 1 . . . . 85 TRP CB . 11373 1 401 . 1 1 85 85 TRP N N 15 121.945 0.300 . 1 . . . . 85 TRP N . 11373 1 402 . 1 1 86 86 ALA H H 1 8.914 0.030 . 1 . . . . 86 ALA H . 11373 1 403 . 1 1 86 86 ALA C C 13 177.549 0.300 . 1 . . . . 86 ALA C . 11373 1 404 . 1 1 86 86 ALA CA C 13 52.407 0.300 . 1 . . . . 86 ALA CA . 11373 1 405 . 1 1 86 86 ALA CB C 13 19.776 0.300 . 1 . . . . 86 ALA CB . 11373 1 406 . 1 1 86 86 ALA N N 15 125.711 0.300 . 1 . . . . 86 ALA N . 11373 1 407 . 1 1 87 87 THR H H 1 8.559 0.030 . 1 . . . . 87 THR H . 11373 1 408 . 1 1 87 87 THR C C 13 175.619 0.300 . 1 . . . . 87 THR C . 11373 1 409 . 1 1 87 87 THR CA C 13 61.834 0.300 . 1 . . . . 87 THR CA . 11373 1 410 . 1 1 87 87 THR CB C 13 69.690 0.300 . 1 . . . . 87 THR CB . 11373 1 411 . 1 1 87 87 THR N N 15 114.758 0.300 . 1 . . . . 87 THR N . 11373 1 412 . 1 1 88 88 ARG H H 1 8.137 0.030 . 1 . . . . 88 ARG H . 11373 1 413 . 1 1 88 88 ARG C C 13 175.178 0.300 . 1 . . . . 88 ARG C . 11373 1 414 . 1 1 88 88 ARG CA C 13 55.430 0.300 . 1 . . . . 88 ARG CA . 11373 1 415 . 1 1 88 88 ARG CB C 13 31.212 0.300 . 1 . . . . 88 ARG CB . 11373 1 416 . 1 1 88 88 ARG N N 15 122.174 0.300 . 1 . . . . 88 ARG N . 11373 1 417 . 1 1 89 89 LYS H H 1 8.225 0.030 . 1 . . . . 89 LYS H . 11373 1 418 . 1 1 89 89 LYS C C 13 173.782 0.300 . 1 . . . . 89 LYS C . 11373 1 419 . 1 1 89 89 LYS CA C 13 54.090 0.300 . 1 . . . . 89 LYS CA . 11373 1 420 . 1 1 89 89 LYS CB C 13 32.067 0.300 . 1 . . . . 89 LYS CB . 11373 1 421 . 1 1 89 89 LYS N N 15 123.636 0.300 . 1 . . . . 89 LYS N . 11373 1 422 . 1 1 91 91 PRO C C 13 176.057 0.300 . 1 . . . . 91 PRO C . 11373 1 423 . 1 1 91 91 PRO CA C 13 62.593 0.300 . 1 . . . . 91 PRO CA . 11373 1 424 . 1 1 91 91 PRO CB C 13 31.901 0.300 . 1 . . . . 91 PRO CB . 11373 1 425 . 1 1 92 92 ALA H H 1 8.294 0.030 . 1 . . . . 92 ALA H . 11373 1 426 . 1 1 92 92 ALA C C 13 175.569 0.300 . 1 . . . . 92 ALA C . 11373 1 427 . 1 1 92 92 ALA CA C 13 50.393 0.300 . 1 . . . . 92 ALA CA . 11373 1 428 . 1 1 92 92 ALA CB C 13 18.126 0.300 . 1 . . . . 92 ALA CB . 11373 1 429 . 1 1 92 92 ALA N N 15 125.531 0.300 . 1 . . . . 92 ALA N . 11373 1 430 . 1 1 93 93 PRO C C 13 176.874 0.300 . 1 . . . . 93 PRO C . 11373 1 431 . 1 1 93 93 PRO CA C 13 62.900 0.300 . 1 . . . . 93 PRO CA . 11373 1 432 . 1 1 93 93 PRO CB C 13 32.004 0.300 . 1 . . . . 93 PRO CB . 11373 1 433 . 1 1 94 94 LYS H H 1 8.412 0.030 . 1 . . . . 94 LYS H . 11373 1 434 . 1 1 94 94 LYS C C 13 176.734 0.300 . 1 . . . . 94 LYS C . 11373 1 435 . 1 1 94 94 LYS CA C 13 56.503 0.300 . 1 . . . . 94 LYS CA . 11373 1 436 . 1 1 94 94 LYS CB C 13 32.757 0.300 . 1 . . . . 94 LYS CB . 11373 1 437 . 1 1 94 94 LYS N N 15 121.644 0.300 . 1 . . . . 94 LYS N . 11373 1 438 . 1 1 95 95 SER H H 1 8.369 0.030 . 1 . . . . 95 SER H . 11373 1 439 . 1 1 95 95 SER C C 13 174.699 0.300 . 1 . . . . 95 SER C . 11373 1 440 . 1 1 95 95 SER CA C 13 58.339 0.300 . 1 . . . . 95 SER CA . 11373 1 441 . 1 1 95 95 SER CB C 13 63.817 0.300 . 1 . . . . 95 SER CB . 11373 1 442 . 1 1 95 95 SER N N 15 117.060 0.300 . 1 . . . . 95 SER N . 11373 1 443 . 1 1 96 96 THR H H 1 8.133 0.030 . 1 . . . . 96 THR H . 11373 1 444 . 1 1 96 96 THR C C 13 174.248 0.300 . 1 . . . . 96 THR C . 11373 1 445 . 1 1 96 96 THR CA C 13 61.940 0.300 . 1 . . . . 96 THR CA . 11373 1 446 . 1 1 96 96 THR CB C 13 69.587 0.300 . 1 . . . . 96 THR CB . 11373 1 447 . 1 1 96 96 THR N N 15 115.615 0.300 . 1 . . . . 96 THR N . 11373 1 448 . 1 1 97 97 TYR H H 1 8.116 0.030 . 1 . . . . 97 TYR H . 11373 1 449 . 1 1 97 97 TYR C C 13 175.704 0.300 . 1 . . . . 97 TYR C . 11373 1 450 . 1 1 97 97 TYR CA C 13 58.147 0.300 . 1 . . . . 97 TYR CA . 11373 1 451 . 1 1 97 97 TYR CB C 13 38.835 0.300 . 1 . . . . 97 TYR CB . 11373 1 452 . 1 1 97 97 TYR N N 15 121.812 0.300 . 1 . . . . 97 TYR N . 11373 1 453 . 1 1 98 98 GLU H H 1 8.206 0.030 . 1 . . . . 98 GLU H . 11373 1 454 . 1 1 98 98 GLU C C 13 176.099 0.300 . 1 . . . . 98 GLU C . 11373 1 455 . 1 1 98 98 GLU CA C 13 56.451 0.300 . 1 . . . . 98 GLU CA . 11373 1 456 . 1 1 98 98 GLU CB C 13 30.490 0.300 . 1 . . . . 98 GLU CB . 11373 1 457 . 1 1 98 98 GLU N N 15 122.628 0.300 . 1 . . . . 98 GLU N . 11373 1 458 . 1 1 99 99 SER H H 1 8.274 0.030 . 1 . . . . 99 SER H . 11373 1 459 . 1 1 99 99 SER C C 13 174.394 0.300 . 1 . . . . 99 SER C . 11373 1 460 . 1 1 99 99 SER CA C 13 58.335 0.300 . 1 . . . . 99 SER CA . 11373 1 461 . 1 1 99 99 SER CB C 13 63.715 0.300 . 1 . . . . 99 SER CB . 11373 1 462 . 1 1 99 99 SER N N 15 116.751 0.300 . 1 . . . . 99 SER N . 11373 1 463 . 1 1 100 100 ASN H H 1 8.475 0.030 . 1 . . . . 100 ASN H . 11373 1 464 . 1 1 100 100 ASN C C 13 175.323 0.300 . 1 . . . . 100 ASN C . 11373 1 465 . 1 1 100 100 ASN CA C 13 53.325 0.300 . 1 . . . . 100 ASN CA . 11373 1 466 . 1 1 100 100 ASN CB C 13 38.835 0.300 . 1 . . . . 100 ASN CB . 11373 1 467 . 1 1 100 100 ASN N N 15 120.853 0.300 . 1 . . . . 100 ASN N . 11373 1 468 . 1 1 101 101 THR H H 1 8.056 0.030 . 1 . . . . 101 THR H . 11373 1 469 . 1 1 101 101 THR C C 13 174.272 0.300 . 1 . . . . 101 THR C . 11373 1 470 . 1 1 101 101 THR CA C 13 61.886 0.300 . 1 . . . . 101 THR CA . 11373 1 471 . 1 1 101 101 THR CB C 13 69.587 0.300 . 1 . . . . 101 THR CB . 11373 1 472 . 1 1 101 101 THR N N 15 114.282 0.300 . 1 . . . . 101 THR N . 11373 1 473 . 1 1 102 102 LYS H H 1 8.275 0.030 . 1 . . . . 102 LYS H . 11373 1 474 . 1 1 102 102 LYS C C 13 175.515 0.300 . 1 . . . . 102 LYS C . 11373 1 475 . 1 1 102 102 LYS CA C 13 56.503 0.300 . 1 . . . . 102 LYS CA . 11373 1 476 . 1 1 102 102 LYS CB C 13 32.963 0.300 . 1 . . . . 102 LYS CB . 11373 1 477 . 1 1 102 102 LYS N N 15 124.403 0.300 . 1 . . . . 102 LYS N . 11373 1 478 . 1 1 103 103 GLN H H 1 8.005 0.030 . 1 . . . . 103 GLN H . 11373 1 479 . 1 1 103 103 GLN C C 13 180.494 0.300 . 1 . . . . 103 GLN C . 11373 1 480 . 1 1 103 103 GLN CA C 13 57.171 0.300 . 1 . . . . 103 GLN CA . 11373 1 481 . 1 1 103 103 GLN CB C 13 30.518 0.300 . 1 . . . . 103 GLN CB . 11373 1 482 . 1 1 103 103 GLN N N 15 127.262 0.300 . 1 . . . . 103 GLN N . 11373 1 stop_ save_