################################### # 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_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 18668 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_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 '3D 1H-15N NOESY' . . . 18668 1 2 '3D 1H-13C NOESY' . . . 18668 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 13 174.8670 0.70 . 1 . . . A 2 GLN C . 18668 1 2 . 1 1 2 2 GLN CA C 13 54.9012 0.70 . 1 . . . A 2 GLN CA . 18668 1 3 . 1 1 2 2 GLN CB C 13 29.5605 0.70 . 1 . . . A 2 GLN CB . 18668 1 4 . 1 1 3 3 TYR H H 1 8.3277 0.05 . 1 . . . A 3 TYR H . 18668 1 5 . 1 1 3 3 TYR C C 13 174.4983 0.70 . 1 . . . A 3 TYR C . 18668 1 6 . 1 1 3 3 TYR CA C 13 59.4034 0.70 . 1 . . . A 3 TYR CA . 18668 1 7 . 1 1 3 3 TYR CB C 13 38.3163 0.70 . 1 . . . A 3 TYR CB . 18668 1 8 . 1 1 3 3 TYR N N 15 122.9422 0.50 . 1 . . . A 3 TYR N . 18668 1 9 . 1 1 4 4 THR H H 1 7.4337 0.05 . 1 . . . A 4 THR H . 18668 1 10 . 1 1 4 4 THR C C 13 171.5740 0.70 . 1 . . . A 4 THR C . 18668 1 11 . 1 1 4 4 THR CA C 13 58.9379 0.70 . 1 . . . A 4 THR CA . 18668 1 12 . 1 1 4 4 THR CB C 13 69.7448 0.70 . 1 . . . A 4 THR CB . 18668 1 13 . 1 1 4 4 THR N N 15 113.5175 0.50 . 1 . . . A 4 THR N . 18668 1 14 . 1 1 5 5 PRO C C 13 175.1915 0.70 . 1 . . . A 5 PRO C . 18668 1 15 . 1 1 5 5 PRO CA C 13 64.1226 0.70 . 1 . . . A 5 PRO CA . 18668 1 16 . 1 1 5 5 PRO CB C 13 31.9755 0.70 . 1 . . . A 5 PRO CB . 18668 1 17 . 1 1 6 6 ASP H H 1 8.7683 0.05 . 1 . . . A 6 ASP H . 18668 1 18 . 1 1 6 6 ASP C C 13 175.5021 0.70 . 1 . . . A 6 ASP C . 18668 1 19 . 1 1 6 6 ASP CA C 13 55.8262 0.70 . 1 . . . A 6 ASP CA . 18668 1 20 . 1 1 6 6 ASP CB C 13 39.0064 0.70 . 1 . . . A 6 ASP CB . 18668 1 21 . 1 1 6 6 ASP N N 15 116.0113 0.50 . 1 . . . A 6 ASP N . 18668 1 22 . 1 1 7 7 THR H H 1 7.4642 0.05 . 1 . . . A 7 THR H . 18668 1 23 . 1 1 7 7 THR C C 13 171.9814 0.70 . 1 . . . A 7 THR C . 18668 1 24 . 1 1 7 7 THR CA C 13 60.1199 0.70 . 1 . . . A 7 THR CA . 18668 1 25 . 1 1 7 7 THR CB C 13 72.1482 0.70 . 1 . . . A 7 THR CB . 18668 1 26 . 1 1 7 7 THR N N 15 124.4034 0.50 . 1 . . . A 7 THR N . 18668 1 27 . 1 1 8 8 ALA H H 1 7.9270 0.05 . 1 . . . A 8 ALA H . 18668 1 28 . 1 1 8 8 ALA C C 13 175.9591 0.70 . 1 . . . A 8 ALA C . 18668 1 29 . 1 1 8 8 ALA CA C 13 50.6821 0.70 . 1 . . . A 8 ALA CA . 18668 1 30 . 1 1 8 8 ALA CB C 13 21.9060 0.70 . 1 . . . A 8 ALA CB . 18668 1 31 . 1 1 8 8 ALA N N 15 124.1999 0.50 . 1 . . . A 8 ALA N . 18668 1 32 . 1 1 9 9 TRP H H 1 8.3681 0.05 . 1 . . . A 9 TRP H . 18668 1 33 . 1 1 9 9 TRP C C 13 173.4734 0.70 . 1 . . . A 9 TRP C . 18668 1 34 . 1 1 9 9 TRP CA C 13 55.9067 0.70 . 1 . . . A 9 TRP CA . 18668 1 35 . 1 1 9 9 TRP CB C 13 32.9446 0.70 . 1 . . . A 9 TRP CB . 18668 1 36 . 1 1 9 9 TRP N N 15 120.0433 0.50 . 1 . . . A 9 TRP N . 18668 1 37 . 1 1 10 10 LYS H H 1 9.3966 0.05 . 1 . . . A 10 LYS H . 18668 1 38 . 1 1 10 10 LYS C C 13 176.1819 0.70 . 1 . . . A 10 LYS C . 18668 1 39 . 1 1 10 10 LYS CA C 13 54.3476 0.70 . 1 . . . A 10 LYS CA . 18668 1 40 . 1 1 10 10 LYS CB C 13 34.9766 0.70 . 1 . . . A 10 LYS CB . 18668 1 41 . 1 1 10 10 LYS N N 15 122.7609 0.50 . 1 . . . A 10 LYS N . 18668 1 42 . 1 1 11 11 ILE H H 1 8.9394 0.05 . 1 . . . A 11 ILE H . 18668 1 43 . 1 1 11 11 ILE C C 13 177.1475 0.70 . 1 . . . A 11 ILE C . 18668 1 44 . 1 1 11 11 ILE CA C 13 62.1421 0.70 . 1 . . . A 11 ILE CA . 18668 1 45 . 1 1 11 11 ILE CB C 13 38.1689 0.70 . 1 . . . A 11 ILE CB . 18668 1 46 . 1 1 11 11 ILE N N 15 125.5791 0.50 . 1 . . . A 11 ILE N . 18668 1 47 . 1 1 12 12 THR H H 1 9.6961 0.05 . 1 . . . A 12 THR H . 18668 1 48 . 1 1 12 12 THR C C 13 175.3401 0.70 . 1 . . . A 12 THR C . 18668 1 49 . 1 1 12 12 THR CA C 13 61.9736 0.70 . 1 . . . A 12 THR CA . 18668 1 50 . 1 1 12 12 THR CB C 13 68.6726 0.70 . 1 . . . A 12 THR CB . 18668 1 51 . 1 1 12 12 THR N N 15 121.7040 0.50 . 1 . . . A 12 THR N . 18668 1 52 . 1 1 13 13 GLY H H 1 7.7003 0.05 . 1 . . . A 13 GLY H . 18668 1 53 . 1 1 13 13 GLY C C 13 169.5712 0.70 . 1 . . . A 13 GLY C . 18668 1 54 . 1 1 13 13 GLY CA C 13 45.3241 0.70 . 1 . . . A 13 GLY CA . 18668 1 55 . 1 1 13 13 GLY N N 15 109.8988 0.50 . 1 . . . A 13 GLY N . 18668 1 56 . 1 1 14 14 PHE H H 1 8.5201 0.05 . 1 . . . A 14 PHE H . 18668 1 57 . 1 1 14 14 PHE C C 13 175.5382 0.70 . 1 . . . A 14 PHE C . 18668 1 58 . 1 1 14 14 PHE CA C 13 55.4852 0.70 . 1 . . . A 14 PHE CA . 18668 1 59 . 1 1 14 14 PHE CB C 13 42.2136 0.70 . 1 . . . A 14 PHE CB . 18668 1 60 . 1 1 14 14 PHE N N 15 116.9269 0.50 . 1 . . . A 14 PHE N . 18668 1 61 . 1 1 15 15 SER H H 1 8.7620 0.05 . 1 . . . A 15 SER H . 18668 1 62 . 1 1 15 15 SER C C 13 176.6523 0.70 . 1 . . . A 15 SER C . 18668 1 63 . 1 1 15 15 SER CA C 13 58.0969 0.70 . 1 . . . A 15 SER CA . 18668 1 64 . 1 1 15 15 SER CB C 13 64.2362 0.70 . 1 . . . A 15 SER CB . 18668 1 65 . 1 1 15 15 SER N N 15 116.0097 0.50 . 1 . . . A 15 SER N . 18668 1 66 . 1 1 16 16 ARG H H 1 8.9455 0.05 . 1 . . . A 16 ARG H . 18668 1 67 . 1 1 16 16 ARG C C 13 177.1773 0.70 . 1 . . . A 16 ARG C . 18668 1 68 . 1 1 16 16 ARG CA C 13 58.1464 0.70 . 1 . . . A 16 ARG CA . 18668 1 69 . 1 1 16 16 ARG CB C 13 29.7846 0.70 . 1 . . . A 16 ARG CB . 18668 1 70 . 1 1 16 16 ARG N N 15 125.9755 0.50 . 1 . . . A 16 ARG N . 18668 1 71 . 1 1 17 17 GLU H H 1 8.3844 0.05 . 1 . . . A 17 GLU H . 18668 1 72 . 1 1 17 17 GLU C C 13 176.5584 0.70 . 1 . . . A 17 GLU C . 18668 1 73 . 1 1 17 17 GLU CA C 13 56.0544 0.70 . 1 . . . A 17 GLU CA . 18668 1 74 . 1 1 17 17 GLU CB C 13 29.4712 0.70 . 1 . . . A 17 GLU CB . 18668 1 75 . 1 1 17 17 GLU N N 15 116.6265 0.50 . 1 . . . A 17 GLU N . 18668 1 76 . 1 1 18 18 ILE H H 1 7.4828 0.05 . 1 . . . A 18 ILE H . 18668 1 77 . 1 1 18 18 ILE C C 13 173.8788 0.70 . 1 . . . A 18 ILE C . 18668 1 78 . 1 1 18 18 ILE CA C 13 62.1337 0.70 . 1 . . . A 18 ILE CA . 18668 1 79 . 1 1 18 18 ILE CB C 13 39.0905 0.70 . 1 . . . A 18 ILE CB . 18668 1 80 . 1 1 18 18 ILE N N 15 121.0746 0.50 . 1 . . . A 18 ILE N . 18668 1 81 . 1 1 19 19 SER H H 1 8.3842 0.05 . 1 . . . A 19 SER H . 18668 1 82 . 1 1 19 19 SER C C 13 173.8050 0.70 . 1 . . . A 19 SER C . 18668 1 83 . 1 1 19 19 SER CA C 13 56.4149 0.70 . 1 . . . A 19 SER CA . 18668 1 84 . 1 1 19 19 SER CB C 13 63.9839 0.70 . 1 . . . A 19 SER CB . 18668 1 85 . 1 1 19 19 SER N N 15 123.7750 0.50 . 1 . . . A 19 SER N . 18668 1 86 . 1 1 20 20 PRO C C 13 179.4501 0.70 . 1 . . . A 20 PRO C . 18668 1 87 . 1 1 20 20 PRO CA C 13 65.9342 0.70 . 1 . . . A 20 PRO CA . 18668 1 88 . 1 1 20 20 PRO CB C 13 31.6262 0.70 . 1 . . . A 20 PRO CB . 18668 1 89 . 1 1 21 21 ALA H H 1 8.2627 0.05 . 1 . . . A 21 ALA H . 18668 1 90 . 1 1 21 21 ALA C C 13 180.7128 0.70 . 1 . . . A 21 ALA C . 18668 1 91 . 1 1 21 21 ALA CA C 13 55.0387 0.70 . 1 . . . A 21 ALA CA . 18668 1 92 . 1 1 21 21 ALA CB C 13 18.3505 0.70 . 1 . . . A 21 ALA CB . 18668 1 93 . 1 1 21 21 ALA N N 15 118.2520 0.50 . 1 . . . A 21 ALA N . 18668 1 94 . 1 1 22 22 TYR H H 1 7.9333 0.05 . 1 . . . A 22 TYR H . 18668 1 95 . 1 1 22 22 TYR C C 13 177.6179 0.70 . 1 . . . A 22 TYR C . 18668 1 96 . 1 1 22 22 TYR CA C 13 60.4990 0.70 . 1 . . . A 22 TYR CA . 18668 1 97 . 1 1 22 22 TYR CB C 13 37.8320 0.70 . 1 . . . A 22 TYR CB . 18668 1 98 . 1 1 22 22 TYR N N 15 121.2835 0.50 . 1 . . . A 22 TYR N . 18668 1 99 . 1 1 23 23 ARG H H 1 8.3690 0.05 . 1 . . . A 23 ARG H . 18668 1 100 . 1 1 23 23 ARG C C 13 177.3992 0.70 . 1 . . . A 23 ARG C . 18668 1 101 . 1 1 23 23 ARG CA C 13 59.9554 0.70 . 1 . . . A 23 ARG CA . 18668 1 102 . 1 1 23 23 ARG CB C 13 29.8982 0.70 . 1 . . . A 23 ARG CB . 18668 1 103 . 1 1 23 23 ARG N N 15 120.2491 0.50 . 1 . . . A 23 ARG N . 18668 1 104 . 1 1 24 24 GLN H H 1 7.8885 0.05 . 1 . . . A 24 GLN H . 18668 1 105 . 1 1 24 24 GLN C C 13 178.5578 0.70 . 1 . . . A 24 GLN C . 18668 1 106 . 1 1 24 24 GLN CA C 13 58.7697 0.70 . 1 . . . A 24 GLN CA . 18668 1 107 . 1 1 24 24 GLN CB C 13 27.6530 0.70 . 1 . . . A 24 GLN CB . 18668 1 108 . 1 1 24 24 GLN N N 15 115.6458 0.50 . 1 . . . A 24 GLN N . 18668 1 109 . 1 1 25 25 LYS H H 1 7.6874 0.05 . 1 . . . A 25 LYS H . 18668 1 110 . 1 1 25 25 LYS C C 13 179.2768 0.70 . 1 . . . A 25 LYS C . 18668 1 111 . 1 1 25 25 LYS CA C 13 59.5332 0.70 . 1 . . . A 25 LYS CA . 18668 1 112 . 1 1 25 25 LYS CB C 13 31.7826 0.70 . 1 . . . A 25 LYS CB . 18668 1 113 . 1 1 25 25 LYS N N 15 121.2307 0.50 . 1 . . . A 25 LYS N . 18668 1 114 . 1 1 26 26 LEU H H 1 8.1454 0.05 . 1 . . . A 26 LEU H . 18668 1 115 . 1 1 26 26 LEU C C 13 179.7720 0.70 . 1 . . . A 26 LEU C . 18668 1 116 . 1 1 26 26 LEU CA C 13 58.5186 0.70 . 1 . . . A 26 LEU CA . 18668 1 117 . 1 1 26 26 LEU CB C 13 40.5283 0.70 . 1 . . . A 26 LEU CB . 18668 1 118 . 1 1 26 26 LEU N N 15 119.6246 0.50 . 1 . . . A 26 LEU N . 18668 1 119 . 1 1 27 27 LEU H H 1 8.4666 0.05 . 1 . . . A 27 LEU H . 18668 1 120 . 1 1 27 27 LEU C C 13 181.7775 0.70 . 1 . . . A 27 LEU C . 18668 1 121 . 1 1 27 27 LEU CA C 13 58.7110 0.70 . 1 . . . A 27 LEU CA . 18668 1 122 . 1 1 27 27 LEU CB C 13 41.3710 0.70 . 1 . . . A 27 LEU CB . 18668 1 123 . 1 1 27 27 LEU N N 15 120.2223 0.50 . 1 . . . A 27 LEU N . 18668 1 124 . 1 1 28 28 SER H H 1 8.3039 0.05 . 1 . . . A 28 SER H . 18668 1 125 . 1 1 28 28 SER C C 13 175.5836 0.70 . 1 . . . A 28 SER C . 18668 1 126 . 1 1 28 28 SER CA C 13 61.8474 0.70 . 1 . . . A 28 SER CA . 18668 1 127 . 1 1 28 28 SER CB C 13 63.0268 0.70 . 1 . . . A 28 SER CB . 18668 1 128 . 1 1 28 28 SER N N 15 117.3933 0.50 . 1 . . . A 28 SER N . 18668 1 129 . 1 1 29 29 LEU H H 1 7.4493 0.05 . 1 . . . A 29 LEU H . 18668 1 130 . 1 1 29 29 LEU C C 13 176.6401 0.70 . 1 . . . A 29 LEU C . 18668 1 131 . 1 1 29 29 LEU CA C 13 55.3216 0.70 . 1 . . . A 29 LEU CA . 18668 1 132 . 1 1 29 29 LEU CB C 13 42.9591 0.70 . 1 . . . A 29 LEU CB . 18668 1 133 . 1 1 29 29 LEU N N 15 121.0887 0.50 . 1 . . . A 29 LEU N . 18668 1 134 . 1 1 30 30 GLY H H 1 7.8340 0.05 . 1 . . . A 30 GLY H . 18668 1 135 . 1 1 30 30 GLY C C 13 175.2658 0.70 . 1 . . . A 30 GLY C . 18668 1 136 . 1 1 30 30 GLY CA C 13 45.3734 0.70 . 1 . . . A 30 GLY CA . 18668 1 137 . 1 1 30 30 GLY N N 15 104.9446 0.50 . 1 . . . A 30 GLY N . 18668 1 138 . 1 1 31 31 MET H H 1 7.9795 0.05 . 1 . . . A 31 MET H . 18668 1 139 . 1 1 31 31 MET C C 13 172.2452 0.70 . 1 . . . A 31 MET C . 18668 1 140 . 1 1 31 31 MET CA C 13 53.2943 0.70 . 1 . . . A 31 MET CA . 18668 1 141 . 1 1 31 31 MET CB C 13 29.8360 0.70 . 1 . . . A 31 MET CB . 18668 1 142 . 1 1 31 31 MET N N 15 122.8029 0.50 . 1 . . . A 31 MET N . 18668 1 143 . 1 1 32 32 LEU H H 1 6.9687 0.05 . 1 . . . A 32 LEU H . 18668 1 144 . 1 1 32 32 LEU C C 13 175.6867 0.70 . 1 . . . A 32 LEU C . 18668 1 145 . 1 1 32 32 LEU CA C 13 52.4438 0.70 . 1 . . . A 32 LEU CA . 18668 1 146 . 1 1 32 32 LEU CB C 13 42.8839 0.70 . 1 . . . A 32 LEU CB . 18668 1 147 . 1 1 32 32 LEU N N 15 117.4849 0.50 . 1 . . . A 32 LEU N . 18668 1 148 . 1 1 33 33 PRO C C 13 176.7006 0.70 . 1 . . . A 33 PRO C . 18668 1 149 . 1 1 33 33 PRO CA C 13 64.1316 0.70 . 1 . . . A 33 PRO CA . 18668 1 150 . 1 1 33 33 PRO CB C 13 30.5010 0.70 . 1 . . . A 33 PRO CB . 18668 1 151 . 1 1 34 34 GLY H H 1 9.4423 0.05 . 1 . . . A 34 GLY H . 18668 1 152 . 1 1 34 34 GLY C C 13 174.3627 0.70 . 1 . . . A 34 GLY C . 18668 1 153 . 1 1 34 34 GLY CA C 13 45.1750 0.70 . 1 . . . A 34 GLY CA . 18668 1 154 . 1 1 34 34 GLY N N 15 114.6098 0.50 . 1 . . . A 34 GLY N . 18668 1 155 . 1 1 35 35 SER H H 1 8.4712 0.05 . 1 . . . A 35 SER H . 18668 1 156 . 1 1 35 35 SER C C 13 172.0224 0.70 . 1 . . . A 35 SER C . 18668 1 157 . 1 1 35 35 SER CA C 13 58.7734 0.70 . 1 . . . A 35 SER CA . 18668 1 158 . 1 1 35 35 SER CB C 13 65.1901 0.70 . 1 . . . A 35 SER CB . 18668 1 159 . 1 1 35 35 SER N N 15 118.2776 0.50 . 1 . . . A 35 SER N . 18668 1 160 . 1 1 36 36 SER H H 1 8.5301 0.05 . 1 . . . A 36 SER H . 18668 1 161 . 1 1 36 36 SER C C 13 174.1715 0.70 . 1 . . . A 36 SER C . 18668 1 162 . 1 1 36 36 SER CA C 13 57.0003 0.70 . 1 . . . A 36 SER CA . 18668 1 163 . 1 1 36 36 SER CB C 13 66.8787 0.70 . 1 . . . A 36 SER CB . 18668 1 164 . 1 1 36 36 SER N N 15 113.6598 0.50 . 1 . . . A 36 SER N . 18668 1 165 . 1 1 37 37 PHE H H 1 9.2313 0.05 . 1 . . . A 37 PHE H . 18668 1 166 . 1 1 37 37 PHE C C 13 171.9672 0.70 . 1 . . . A 37 PHE C . 18668 1 167 . 1 1 37 37 PHE CA C 13 55.9103 0.70 . 1 . . . A 37 PHE CA . 18668 1 168 . 1 1 37 37 PHE CB C 13 42.7068 0.70 . 1 . . . A 37 PHE CB . 18668 1 169 . 1 1 37 37 PHE N N 15 117.8038 0.50 . 1 . . . A 37 PHE N . 18668 1 170 . 1 1 38 38 ASN H H 1 9.1506 0.05 . 1 . . . A 38 ASN H . 18668 1 171 . 1 1 38 38 ASN C C 13 175.7115 0.70 . 1 . . . A 38 ASN C . 18668 1 172 . 1 1 38 38 ASN CA C 13 51.4279 0.70 . 1 . . . A 38 ASN CA . 18668 1 173 . 1 1 38 38 ASN CB C 13 41.4652 0.70 . 1 . . . A 38 ASN CB . 18668 1 174 . 1 1 38 38 ASN N N 15 117.0778 0.50 . 1 . . . A 38 ASN N . 18668 1 175 . 1 1 39 39 VAL H H 1 9.2776 0.05 . 1 . . . A 39 VAL H . 18668 1 176 . 1 1 39 39 VAL C C 13 175.9096 0.70 . 1 . . . A 39 VAL C . 18668 1 177 . 1 1 39 39 VAL CA C 13 63.2644 0.70 . 1 . . . A 39 VAL CA . 18668 1 178 . 1 1 39 39 VAL CB C 13 31.5024 0.70 . 1 . . . A 39 VAL CB . 18668 1 179 . 1 1 39 39 VAL N N 15 123.7347 0.50 . 1 . . . A 39 VAL N . 18668 1 180 . 1 1 40 40 VAL H H 1 9.1766 0.05 . 1 . . . A 40 VAL H . 18668 1 181 . 1 1 40 40 VAL C C 13 176.2631 0.70 . 1 . . . A 40 VAL C . 18668 1 182 . 1 1 40 40 VAL CA C 13 63.7009 0.70 . 1 . . . A 40 VAL CA . 18668 1 183 . 1 1 40 40 VAL CB C 13 32.9867 0.70 . 1 . . . A 40 VAL CB . 18668 1 184 . 1 1 40 40 VAL N N 15 127.2189 0.50 . 1 . . . A 40 VAL N . 18668 1 185 . 1 1 41 41 ARG H H 1 7.8237 0.05 . 1 . . . A 41 ARG H . 18668 1 186 . 1 1 41 41 ARG C C 13 172.7156 0.70 . 1 . . . A 41 ARG C . 18668 1 187 . 1 1 41 41 ARG CA C 13 55.6539 0.70 . 1 . . . A 41 ARG CA . 18668 1 188 . 1 1 41 41 ARG CB C 13 33.2815 0.70 . 1 . . . A 41 ARG CB . 18668 1 189 . 1 1 41 41 ARG N N 15 116.5638 0.50 . 1 . . . A 41 ARG N . 18668 1 190 . 1 1 42 42 VAL H H 1 8.8244 0.05 . 1 . . . A 42 VAL H . 18668 1 191 . 1 1 42 42 VAL C C 13 174.8944 0.70 . 1 . . . A 42 VAL C . 18668 1 192 . 1 1 42 42 VAL CA C 13 61.6365 0.70 . 1 . . . A 42 VAL CA . 18668 1 193 . 1 1 42 42 VAL CB C 13 34.3349 0.70 . 1 . . . A 42 VAL CB . 18668 1 194 . 1 1 42 42 VAL N N 15 122.8026 0.50 . 1 . . . A 42 VAL N . 18668 1 195 . 1 1 43 43 ALA H H 1 7.8934 0.05 . 1 . . . A 43 ALA H . 18668 1 196 . 1 1 43 43 ALA C C 13 176.0746 0.70 . 1 . . . A 43 ALA C . 18668 1 197 . 1 1 43 43 ALA CA C 13 52.3479 0.70 . 1 . . . A 43 ALA CA . 18668 1 198 . 1 1 43 43 ALA CB C 13 17.2443 0.70 . 1 . . . A 43 ALA CB . 18668 1 199 . 1 1 43 43 ALA N N 15 129.5381 0.50 . 1 . . . A 43 ALA N . 18668 1 200 . 1 1 44 44 PRO C C 13 177.9893 0.70 . 1 . . . A 44 PRO C . 18668 1 201 . 1 1 44 44 PRO CA C 13 66.1704 0.70 . 1 . . . A 44 PRO CA . 18668 1 202 . 1 1 44 44 PRO CB C 13 31.7739 0.70 . 1 . . . A 44 PRO CB . 18668 1 203 . 1 1 45 45 LEU H H 1 8.4515 0.05 . 1 . . . A 45 LEU H . 18668 1 204 . 1 1 45 45 LEU C C 13 178.2417 0.70 . 1 . . . A 45 LEU C . 18668 1 205 . 1 1 45 45 LEU CA C 13 55.5650 0.70 . 1 . . . A 45 LEU CA . 18668 1 206 . 1 1 45 45 LEU CB C 13 40.7897 0.70 . 1 . . . A 45 LEU CB . 18668 1 207 . 1 1 45 45 LEU N N 15 114.7989 0.50 . 1 . . . A 45 LEU N . 18668 1 208 . 1 1 46 46 GLY H H 1 8.6282 0.05 . 1 . . . A 46 GLY H . 18668 1 209 . 1 1 46 46 GLY C C 13 171.7515 0.70 . 1 . . . A 46 GLY C . 18668 1 210 . 1 1 46 46 GLY CA C 13 45.7343 0.70 . 1 . . . A 46 GLY CA . 18668 1 211 . 1 1 46 46 GLY N N 15 108.0553 0.50 . 1 . . . A 46 GLY N . 18668 1 212 . 1 1 47 47 ASP H H 1 6.7647 0.05 . 1 . . . A 47 ASP H . 18668 1 213 . 1 1 47 47 ASP C C 13 174.4735 0.70 . 1 . . . A 47 ASP C . 18668 1 214 . 1 1 47 47 ASP CA C 13 51.8551 0.70 . 1 . . . A 47 ASP CA . 18668 1 215 . 1 1 47 47 ASP CB C 13 45.3979 0.70 . 1 . . . A 47 ASP CB . 18668 1 216 . 1 1 47 47 ASP N N 15 117.3358 0.50 . 1 . . . A 47 ASP N . 18668 1 217 . 1 1 48 48 PRO C C 13 173.7555 0.70 . 1 . . . A 48 PRO C . 18668 1 218 . 1 1 48 48 PRO CA C 13 63.9539 0.70 . 1 . . . A 48 PRO CA . 18668 1 219 . 1 1 48 48 PRO CB C 13 35.5145 0.70 . 1 . . . A 48 PRO CB . 18668 1 220 . 1 1 49 49 ILE H H 1 8.9101 0.05 . 1 . . . A 49 ILE H . 18668 1 221 . 1 1 49 49 ILE C C 13 173.8928 0.70 . 1 . . . A 49 ILE C . 18668 1 222 . 1 1 49 49 ILE CA C 13 61.6893 0.70 . 1 . . . A 49 ILE CA . 18668 1 223 . 1 1 49 49 ILE CB C 13 40.4864 0.70 . 1 . . . A 49 ILE CB . 18668 1 224 . 1 1 49 49 ILE N N 15 117.1891 0.50 . 1 . . . A 49 ILE N . 18668 1 225 . 1 1 50 50 HIS H H 1 9.0809 0.05 . 1 . . . A 50 HIS H . 18668 1 226 . 1 1 50 50 HIS C C 13 175.6867 0.70 . 1 . . . A 50 HIS C . 18668 1 227 . 1 1 50 50 HIS CA C 13 55.3117 0.70 . 1 . . . A 50 HIS CA . 18668 1 228 . 1 1 50 50 HIS CB C 13 31.1646 0.70 . 1 . . . A 50 HIS CB . 18668 1 229 . 1 1 50 50 HIS N N 15 126.9806 0.50 . 1 . . . A 50 HIS N . 18668 1 230 . 1 1 51 51 ILE H H 1 9.2917 0.05 . 1 . . . A 51 ILE H . 18668 1 231 . 1 1 51 51 ILE C C 13 174.9934 0.70 . 1 . . . A 51 ILE C . 18668 1 232 . 1 1 51 51 ILE CA C 13 58.9422 0.70 . 1 . . . A 51 ILE CA . 18668 1 233 . 1 1 51 51 ILE CB C 13 42.3939 0.70 . 1 . . . A 51 ILE CB . 18668 1 234 . 1 1 51 51 ILE N N 15 119.2748 0.50 . 1 . . . A 51 ILE N . 18668 1 235 . 1 1 52 52 GLU H H 1 9.2973 0.05 . 1 . . . A 52 GLU H . 18668 1 236 . 1 1 52 52 GLU C C 13 176.1076 0.70 . 1 . . . A 52 GLU C . 18668 1 237 . 1 1 52 52 GLU CA C 13 55.2746 0.70 . 1 . . . A 52 GLU CA . 18668 1 238 . 1 1 52 52 GLU CB C 13 33.4761 0.70 . 1 . . . A 52 GLU CB . 18668 1 239 . 1 1 52 52 GLU N N 15 121.5746 0.50 . 1 . . . A 52 GLU N . 18668 1 240 . 1 1 53 53 THR H H 1 9.0531 0.05 . 1 . . . A 53 THR H . 18668 1 241 . 1 1 53 53 THR C C 13 173.7802 0.70 . 1 . . . A 53 THR C . 18668 1 242 . 1 1 53 53 THR CA C 13 59.6145 0.70 . 1 . . . A 53 THR CA . 18668 1 243 . 1 1 53 53 THR CB C 13 70.6780 0.70 . 1 . . . A 53 THR CB . 18668 1 244 . 1 1 53 53 THR N N 15 117.7660 0.50 . 1 . . . A 53 THR N . 18668 1 245 . 1 1 54 54 ARG H H 1 9.1817 0.05 . 1 . . . A 54 ARG H . 18668 1 246 . 1 1 54 54 ARG C C 13 176.1527 0.70 . 1 . . . A 54 ARG C . 18668 1 247 . 1 1 54 54 ARG CA C 13 58.1823 0.70 . 1 . . . A 54 ARG CA . 18668 1 248 . 1 1 54 54 ARG CB C 13 29.0539 0.70 . 1 . . . A 54 ARG CB . 18668 1 249 . 1 1 54 54 ARG N N 15 121.9112 0.50 . 1 . . . A 54 ARG N . 18668 1 250 . 1 1 55 55 ARG H H 1 8.5343 0.05 . 1 . . . A 55 ARG H . 18668 1 251 . 1 1 55 55 ARG C C 13 175.8305 0.70 . 1 . . . A 55 ARG C . 18668 1 252 . 1 1 55 55 ARG CA C 13 57.3380 0.70 . 1 . . . A 55 ARG CA . 18668 1 253 . 1 1 55 55 ARG CB C 13 30.9958 0.70 . 1 . . . A 55 ARG CB . 18668 1 254 . 1 1 55 55 ARG N N 15 112.0030 0.50 . 1 . . . A 55 ARG N . 18668 1 255 . 1 1 56 56 VAL H H 1 8.0806 0.05 . 1 . . . A 56 VAL H . 18668 1 256 . 1 1 56 56 VAL C C 13 174.3007 0.70 . 1 . . . A 56 VAL C . 18668 1 257 . 1 1 56 56 VAL CA C 13 61.3837 0.70 . 1 . . . A 56 VAL CA . 18668 1 258 . 1 1 56 56 VAL CB C 13 35.0511 0.70 . 1 . . . A 56 VAL CB . 18668 1 259 . 1 1 56 56 VAL N N 15 118.1296 0.50 . 1 . . . A 56 VAL N . 18668 1 260 . 1 1 57 57 SER H H 1 8.3346 0.05 . 1 . . . A 57 SER H . 18668 1 261 . 1 1 57 57 SER C C 13 173.6093 0.70 . 1 . . . A 57 SER C . 18668 1 262 . 1 1 57 57 SER CA C 13 57.5918 0.70 . 1 . . . A 57 SER CA . 18668 1 263 . 1 1 57 57 SER CB C 13 64.2957 0.70 . 1 . . . A 57 SER CB . 18668 1 264 . 1 1 57 57 SER N N 15 119.4754 0.50 . 1 . . . A 57 SER N . 18668 1 265 . 1 1 58 58 LEU H H 1 8.8224 0.05 . 1 . . . A 58 LEU H . 18668 1 266 . 1 1 58 58 LEU C C 13 174.3002 0.70 . 1 . . . A 58 LEU C . 18668 1 267 . 1 1 58 58 LEU CA C 13 54.2986 0.70 . 1 . . . A 58 LEU CA . 18668 1 268 . 1 1 58 58 LEU CB C 13 46.5753 0.70 . 1 . . . A 58 LEU CB . 18668 1 269 . 1 1 58 58 LEU N N 15 124.5517 0.50 . 1 . . . A 58 LEU N . 18668 1 270 . 1 1 59 59 VAL H H 1 8.1566 0.05 . 1 . . . A 59 VAL H . 18668 1 271 . 1 1 59 59 VAL C C 13 175.3754 0.70 . 1 . . . A 59 VAL C . 18668 1 272 . 1 1 59 59 VAL CA C 13 61.8814 0.70 . 1 . . . A 59 VAL CA . 18668 1 273 . 1 1 59 59 VAL CB C 13 32.0090 0.70 . 1 . . . A 59 VAL CB . 18668 1 274 . 1 1 59 59 VAL N N 15 121.7783 0.50 . 1 . . . A 59 VAL N . 18668 1 275 . 1 1 60 60 LEU H H 1 8.9386 0.05 . 1 . . . A 60 LEU H . 18668 1 276 . 1 1 60 60 LEU C C 13 175.3201 0.70 . 1 . . . A 60 LEU C . 18668 1 277 . 1 1 60 60 LEU CA C 13 52.7987 0.70 . 1 . . . A 60 LEU CA . 18668 1 278 . 1 1 60 60 LEU CB C 13 45.7343 0.70 . 1 . . . A 60 LEU CB . 18668 1 279 . 1 1 60 60 LEU N N 15 127.6844 0.50 . 1 . . . A 60 LEU N . 18668 1 280 . 1 1 61 61 ARG H H 1 8.8697 0.05 . 1 . . . A 61 ARG H . 18668 1 281 . 1 1 61 61 ARG C C 13 178.9054 0.70 . 1 . . . A 61 ARG C . 18668 1 282 . 1 1 61 61 ARG CA C 13 53.9262 0.70 . 1 . . . A 61 ARG CA . 18668 1 283 . 1 1 61 61 ARG CB C 13 29.8689 0.70 . 1 . . . A 61 ARG CB . 18668 1 284 . 1 1 61 61 ARG N N 15 118.1542 0.50 . 1 . . . A 61 ARG N . 18668 1 285 . 1 1 62 62 LYS H H 1 9.7763 0.05 . 1 . . . A 62 LYS H . 18668 1 286 . 1 1 62 62 LYS C C 13 179.3758 0.70 . 1 . . . A 62 LYS C . 18668 1 287 . 1 1 62 62 LYS CA C 13 61.0530 0.70 . 1 . . . A 62 LYS CA . 18668 1 288 . 1 1 62 62 LYS CB C 13 32.0262 0.70 . 1 . . . A 62 LYS CB . 18668 1 289 . 1 1 62 62 LYS N N 15 126.1913 0.50 . 1 . . . A 62 LYS N . 18668 1 290 . 1 1 63 63 LYS H H 1 8.6165 0.05 . 1 . . . A 63 LYS H . 18668 1 291 . 1 1 63 63 LYS C C 13 177.2218 0.70 . 1 . . . A 63 LYS C . 18668 1 292 . 1 1 63 63 LYS CA C 13 58.6889 0.70 . 1 . . . A 63 LYS CA . 18668 1 293 . 1 1 63 63 LYS CB C 13 31.9245 0.70 . 1 . . . A 63 LYS CB . 18668 1 294 . 1 1 63 63 LYS N N 15 115.8541 0.50 . 1 . . . A 63 LYS N . 18668 1 295 . 1 1 64 64 ASP H H 1 7.1508 0.05 . 1 . . . A 64 ASP H . 18668 1 296 . 1 1 64 64 ASP C C 13 177.9374 0.70 . 1 . . . A 64 ASP C . 18668 1 297 . 1 1 64 64 ASP CA C 13 56.9131 0.70 . 1 . . . A 64 ASP CA . 18668 1 298 . 1 1 64 64 ASP CB C 13 41.3671 0.70 . 1 . . . A 64 ASP CB . 18668 1 299 . 1 1 64 64 ASP N N 15 118.6859 0.50 . 1 . . . A 64 ASP N . 18668 1 300 . 1 1 65 65 LEU H H 1 7.5662 0.05 . 1 . . . A 65 LEU H . 18668 1 301 . 1 1 65 65 LEU C C 13 179.3758 0.70 . 1 . . . A 65 LEU C . 18668 1 302 . 1 1 65 65 LEU CA C 13 57.2127 0.70 . 1 . . . A 65 LEU CA . 18668 1 303 . 1 1 65 65 LEU CB C 13 41.4132 0.70 . 1 . . . A 65 LEU CB . 18668 1 304 . 1 1 65 65 LEU N N 15 118.6406 0.50 . 1 . . . A 65 LEU N . 18668 1 305 . 1 1 66 66 ALA H H 1 7.8692 0.05 . 1 . . . A 66 ALA H . 18668 1 306 . 1 1 66 66 ALA C C 13 177.8160 0.70 . 1 . . . A 66 ALA C . 18668 1 307 . 1 1 66 66 ALA CA C 13 53.6707 0.70 . 1 . . . A 66 ALA CA . 18668 1 308 . 1 1 66 66 ALA CB C 13 18.1885 0.70 . 1 . . . A 66 ALA CB . 18668 1 309 . 1 1 66 66 ALA N N 15 119.7244 0.50 . 1 . . . A 66 ALA N . 18668 1 310 . 1 1 67 67 LEU H H 1 7.2932 0.05 . 1 . . . A 67 LEU H . 18668 1 311 . 1 1 67 67 LEU C C 13 175.8393 0.70 . 1 . . . A 67 LEU C . 18668 1 312 . 1 1 67 67 LEU CA C 13 55.3167 0.70 . 1 . . . A 67 LEU CA . 18668 1 313 . 1 1 67 67 LEU CB C 13 41.9188 0.70 . 1 . . . A 67 LEU CB . 18668 1 314 . 1 1 67 67 LEU N N 15 116.6522 0.50 . 1 . . . A 67 LEU N . 18668 1 315 . 1 1 68 68 LEU H H 1 7.6110 0.05 . 1 . . . A 68 LEU H . 18668 1 316 . 1 1 68 68 LEU C C 13 176.2314 0.70 . 1 . . . A 68 LEU C . 18668 1 317 . 1 1 68 68 LEU CA C 13 54.1790 0.70 . 1 . . . A 68 LEU CA . 18668 1 318 . 1 1 68 68 LEU CB C 13 43.4596 0.70 . 1 . . . A 68 LEU CB . 18668 1 319 . 1 1 68 68 LEU N N 15 118.5724 0.50 . 1 . . . A 68 LEU N . 18668 1 320 . 1 1 69 69 GLU H H 1 8.3214 0.05 . 1 . . . A 69 GLU H . 18668 1 321 . 1 1 69 69 GLU C C 13 176.0829 0.70 . 1 . . . A 69 GLU C . 18668 1 322 . 1 1 69 69 GLU CA C 13 55.2376 0.70 . 1 . . . A 69 GLU CA . 18668 1 323 . 1 1 69 69 GLU CB C 13 29.4191 0.70 . 1 . . . A 69 GLU CB . 18668 1 324 . 1 1 69 69 GLU N N 15 122.7639 0.50 . 1 . . . A 69 GLU N . 18668 1 325 . 1 1 70 70 VAL H H 1 8.3711 0.05 . 1 . . . A 70 VAL H . 18668 1 326 . 1 1 70 70 VAL C C 13 175.8105 0.70 . 1 . . . A 70 VAL C . 18668 1 327 . 1 1 70 70 VAL CA C 13 58.9422 0.70 . 1 . . . A 70 VAL CA . 18668 1 328 . 1 1 70 70 VAL CB C 13 37.8729 0.70 . 1 . . . A 70 VAL CB . 18668 1 329 . 1 1 70 70 VAL N N 15 115.1267 0.50 . 1 . . . A 70 VAL N . 18668 1 330 . 1 1 71 71 GLU H H 1 9.1933 0.05 . 1 . . . A 71 GLU H . 18668 1 331 . 1 1 71 71 GLU C C 13 174.8201 0.70 . 1 . . . A 71 GLU C . 18668 1 332 . 1 1 71 71 GLU CA C 13 54.4674 0.70 . 1 . . . A 71 GLU CA . 18668 1 333 . 1 1 71 71 GLU CB C 13 33.9508 0.70 . 1 . . . A 71 GLU CB . 18668 1 334 . 1 1 71 71 GLU N N 15 119.9561 0.50 . 1 . . . A 71 GLU N . 18668 1 335 . 1 1 72 72 ALA H H 1 8.9137 0.05 . 1 . . . A 72 ALA H . 18668 1 336 . 1 1 72 72 ALA C C 13 177.9652 0.70 . 1 . . . A 72 ALA C . 18668 1 337 . 1 1 72 72 ALA CA C 13 53.2010 0.70 . 1 . . . A 72 ALA CA . 18668 1 338 . 1 1 72 72 ALA CB C 13 18.5001 0.70 . 1 . . . A 72 ALA CB . 18668 1 339 . 1 1 72 72 ALA N N 15 127.5184 0.50 . 1 . . . A 72 ALA N . 18668 1 340 . 1 1 73 73 VAL H H 1 7.4333 0.05 . 1 . . . A 73 VAL H . 18668 1 341 . 1 1 73 73 VAL C C 13 175.3401 0.70 . 1 . . . A 73 VAL C . 18668 1 342 . 1 1 73 73 VAL CA C 13 61.3907 0.70 . 1 . . . A 73 VAL CA . 18668 1 343 . 1 1 73 73 VAL CB C 13 33.5287 0.70 . 1 . . . A 73 VAL CB . 18668 1 344 . 1 1 73 73 VAL N N 15 120.1583 0.50 . 1 . . . A 73 VAL N . 18668 1 345 . 1 1 74 74 SER H H 1 8.3484 0.05 . 1 . . . A 74 SER H . 18668 1 346 . 1 1 74 74 SER C C 13 174.3745 0.70 . 1 . . . A 74 SER C . 18668 1 347 . 1 1 74 74 SER CA C 13 58.6856 0.70 . 1 . . . A 74 SER CA . 18668 1 348 . 1 1 74 74 SER CB C 13 63.9839 0.70 . 1 . . . A 74 SER CB . 18668 1 349 . 1 1 74 74 SER N N 15 119.0584 0.50 . 1 . . . A 74 SER N . 18668 1 350 . 1 1 75 75 SER CA C 13 58.4341 0.70 . 1 . . . A 75 SER CA . 18668 1 351 . 1 1 75 75 SER CB C 13 63.7852 0.70 . 1 . . . A 75 SER CB . 18668 1 352 . 1 1 76 76 LEU H H 1 8.2271 0.05 . 1 . . . A 76 LEU H . 18668 1 353 . 1 1 76 76 LEU C C 13 177.5436 0.70 . 1 . . . A 76 LEU C . 18668 1 354 . 1 1 76 76 LEU CA C 13 55.6580 0.70 . 1 . . . A 76 LEU CA . 18668 1 355 . 1 1 76 76 LEU CB C 13 42.2022 0.70 . 1 . . . A 76 LEU CB . 18668 1 356 . 1 1 76 76 LEU N N 15 123.5779 0.50 . 1 . . . A 76 LEU N . 18668 1 357 . 1 1 77 77 GLU H H 1 8.1418 0.05 . 1 . . . A 77 GLU H . 18668 1 358 . 1 1 77 77 GLU C C 13 176.3984 0.70 . 1 . . . A 77 GLU C . 18668 1 359 . 1 1 77 77 GLU CA C 13 56.9151 0.70 . 1 . . . A 77 GLU CA . 18668 1 360 . 1 1 77 77 GLU CB C 13 29.9237 0.70 . 1 . . . A 77 GLU CB . 18668 1 361 . 1 1 77 77 GLU N N 15 120.3606 0.50 . 1 . . . A 77 GLU N . 18668 1 stop_ save_