################################### # 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 18157 _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 '2D 1H-15N HSQC' . . . 18157 1 2 '3D HNCO' . . . 18157 1 3 '3D HN(CO)CA' . . . 18157 1 4 '3D HNCACB' . . . 18157 1 5 '3D CBCA(CO)NH' . . . 18157 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 PRO C C 13 177.003 0.001 . 1 . . . . 2 PRO C . 18157 1 2 . 1 1 2 2 PRO CA C 13 63.046 0.018 . 1 . . . . 2 PRO CA . 18157 1 3 . 1 1 2 2 PRO CB C 13 32.235 0.009 . 1 . . . . 2 PRO CB . 18157 1 4 . 1 1 3 3 LEU H H 1 8.527 0.032 . 1 . . . . 3 LEU H . 18157 1 5 . 1 1 3 3 LEU C C 13 177.933 0.009 . 1 . . . . 3 LEU C . 18157 1 6 . 1 1 3 3 LEU CA C 13 55.392 0.013 . 1 . . . . 3 LEU CA . 18157 1 7 . 1 1 3 3 LEU CB C 13 42.216 0.009 . 1 . . . . 3 LEU CB . 18157 1 8 . 1 1 3 3 LEU N N 15 122.522 0.020 . 1 . . . . 3 LEU N . 18157 1 9 . 1 1 4 4 GLY H H 1 8.415 0.033 . 1 . . . . 4 GLY H . 18157 1 10 . 1 1 4 4 GLY C C 13 174.181 0.005 . 1 . . . . 4 GLY C . 18157 1 11 . 1 1 4 4 GLY CA C 13 45.256 0.003 . 1 . . . . 4 GLY CA . 18157 1 12 . 1 1 4 4 GLY N N 15 109.920 0.018 . 1 . . . . 4 GLY N . 18157 1 13 . 1 1 5 5 SER H H 1 8.218 0.028 . 1 . . . . 5 SER H . 18157 1 14 . 1 1 5 5 SER C C 13 174.792 0.000 . 1 . . . . 5 SER C . 18157 1 15 . 1 1 5 5 SER CA C 13 58.211 0.044 . 1 . . . . 5 SER CA . 18157 1 16 . 1 1 5 5 SER CB C 13 63.944 0.003 . 1 . . . . 5 SER CB . 18157 1 17 . 1 1 5 5 SER N N 15 115.509 0.021 . 1 . . . . 5 SER N . 18157 1 18 . 1 1 6 6 THR H H 1 8.210 0.032 . 1 . . . . 6 THR H . 18157 1 19 . 1 1 6 6 THR C C 13 174.179 0.005 . 1 . . . . 6 THR C . 18157 1 20 . 1 1 6 6 THR CA C 13 61.893 0.031 . 1 . . . . 6 THR CA . 18157 1 21 . 1 1 6 6 THR CB C 13 69.675 0.000 . 1 . . . . 6 THR CB . 18157 1 22 . 1 1 6 6 THR N N 15 116.246 0.090 . 1 . . . . 6 THR N . 18157 1 23 . 1 1 7 7 ARG H H 1 8.313 0.033 . 1 . . . . 7 ARG H . 18157 1 24 . 1 1 7 7 ARG C C 13 175.887 0.002 . 1 . . . . 7 ARG C . 18157 1 25 . 1 1 7 7 ARG CA C 13 55.872 0.009 . 1 . . . . 7 ARG CA . 18157 1 26 . 1 1 7 7 ARG CB C 13 30.846 0.036 . 1 . . . . 7 ARG CB . 18157 1 27 . 1 1 7 7 ARG N N 15 123.975 0.023 . 1 . . . . 7 ARG N . 18157 1 28 . 1 1 8 8 VAL H H 1 8.303 0.032 . 1 . . . . 8 VAL H . 18157 1 29 . 1 1 8 8 VAL C C 13 174.470 0.000 . 1 . . . . 8 VAL C . 18157 1 30 . 1 1 8 8 VAL CA C 13 59.882 0.000 . 1 . . . . 8 VAL CA . 18157 1 31 . 1 1 8 8 VAL CB C 13 32.327 0.000 . 1 . . . . 8 VAL CB . 18157 1 32 . 1 1 8 8 VAL N N 15 123.695 0.000 . 1 . . . . 8 VAL N . 18157 1 33 . 1 1 9 9 PRO C C 13 176.645 0.000 . 1 . . . . 9 PRO C . 18157 1 34 . 1 1 9 9 PRO CA C 13 63.259 0.000 . 1 . . . . 9 PRO CA . 18157 1 35 . 1 1 9 9 PRO CB C 13 32.050 0.000 . 1 . . . . 9 PRO CB . 18157 1 36 . 1 1 10 10 ASP H H 1 8.383 0.032 . 1 . . . . 10 ASP H . 18157 1 37 . 1 1 10 10 ASP C C 13 176.100 0.014 . 1 . . . . 10 ASP C . 18157 1 38 . 1 1 10 10 ASP CA C 13 54.450 0.045 . 1 . . . . 10 ASP CA . 18157 1 39 . 1 1 10 10 ASP CB C 13 40.837 0.067 . 1 . . . . 10 ASP CB . 18157 1 40 . 1 1 10 10 ASP N N 15 120.610 0.000 . 1 . . . . 10 ASP N . 18157 1 41 . 1 1 11 11 ASP H H 1 8.214 0.032 . 1 . . . . 11 ASP H . 18157 1 42 . 1 1 11 11 ASP C C 13 176.416 0.015 . 1 . . . . 11 ASP C . 18157 1 43 . 1 1 11 11 ASP CA C 13 54.250 0.039 . 1 . . . . 11 ASP CA . 18157 1 44 . 1 1 11 11 ASP CB C 13 40.885 0.099 . 1 . . . . 11 ASP CB . 18157 1 45 . 1 1 11 11 ASP N N 15 120.135 0.018 . 1 . . . . 11 ASP N . 18157 1 46 . 1 1 12 12 ALA H H 1 8.228 0.032 . 1 . . . . 12 ALA H . 18157 1 47 . 1 1 12 12 ALA C C 13 177.900 0.007 . 1 . . . . 12 ALA C . 18157 1 48 . 1 1 12 12 ALA CA C 13 53.207 0.011 . 1 . . . . 12 ALA CA . 18157 1 49 . 1 1 12 12 ALA CB C 13 18.936 0.003 . 1 . . . . 12 ALA CB . 18157 1 50 . 1 1 12 12 ALA N N 15 124.170 0.027 . 1 . . . . 12 ALA N . 18157 1 51 . 1 1 13 13 ASN H H 1 8.346 0.032 . 1 . . . . 13 ASN H . 18157 1 52 . 1 1 13 13 ASN C C 13 175.463 0.002 . 1 . . . . 13 ASN C . 18157 1 53 . 1 1 13 13 ASN CA C 13 53.461 0.055 . 1 . . . . 13 ASN CA . 18157 1 54 . 1 1 13 13 ASN CB C 13 38.580 0.017 . 1 . . . . 13 ASN CB . 18157 1 55 . 1 1 13 13 ASN N N 15 116.591 0.020 . 1 . . . . 13 ASN N . 18157 1 56 . 1 1 14 14 LEU H H 1 8.028 0.032 . 1 . . . . 14 LEU H . 18157 1 57 . 1 1 14 14 LEU C C 13 177.502 0.014 . 1 . . . . 14 LEU C . 18157 1 58 . 1 1 14 14 LEU CA C 13 55.572 0.005 . 1 . . . . 14 LEU CA . 18157 1 59 . 1 1 14 14 LEU CB C 13 42.062 0.043 . 1 . . . . 14 LEU CB . 18157 1 60 . 1 1 14 14 LEU N N 15 121.731 0.017 . 1 . . . . 14 LEU N . 18157 1 61 . 1 1 15 15 GLN H H 1 8.254 0.032 . 1 . . . . 15 GLN H . 18157 1 62 . 1 1 15 15 GLN C C 13 176.085 0.032 . 1 . . . . 15 GLN C . 18157 1 63 . 1 1 15 15 GLN CA C 13 55.935 0.010 . 1 . . . . 15 GLN CA . 18157 1 64 . 1 1 15 15 GLN CB C 13 29.155 0.008 . 1 . . . . 15 GLN CB . 18157 1 65 . 1 1 15 15 GLN N N 15 119.934 0.022 . 1 . . . . 15 GLN N . 18157 1 66 . 1 1 16 16 SER H H 1 8.217 0.025 . 1 . . . . 16 SER H . 18157 1 67 . 1 1 16 16 SER C C 13 174.708 0.000 . 1 . . . . 16 SER C . 18157 1 68 . 1 1 16 16 SER CA C 13 58.349 0.002 . 1 . . . . 16 SER CA . 18157 1 69 . 1 1 16 16 SER CB C 13 63.674 0.040 . 1 . . . . 16 SER CB . 18157 1 70 . 1 1 16 16 SER N N 15 116.427 0.074 . 1 . . . . 16 SER N . 18157 1 71 . 1 1 17 17 VAL H H 1 8.074 0.032 . 1 . . . . 17 VAL H . 18157 1 72 . 1 1 17 17 VAL C C 13 175.809 0.002 . 1 . . . . 17 VAL C . 18157 1 73 . 1 1 17 17 VAL CA C 13 62.412 0.059 . 1 . . . . 17 VAL CA . 18157 1 74 . 1 1 17 17 VAL CB C 13 32.446 0.086 . 1 . . . . 17 VAL CB . 18157 1 75 . 1 1 17 17 VAL N N 15 121.057 0.024 . 1 . . . . 17 VAL N . 18157 1 76 . 1 1 18 18 ASN H H 1 8.379 0.032 . 1 . . . . 18 ASN H . 18157 1 77 . 1 1 18 18 ASN C C 13 174.258 0.008 . 1 . . . . 18 ASN C . 18157 1 78 . 1 1 18 18 ASN CA C 13 52.922 0.023 . 1 . . . . 18 ASN CA . 18157 1 79 . 1 1 18 18 ASN CB C 13 38.946 0.021 . 1 . . . . 18 ASN CB . 18157 1 80 . 1 1 18 18 ASN N N 15 121.387 0.000 . 1 . . . . 18 ASN N . 18157 1 81 . 1 1 19 19 ALA H H 1 8.074 0.029 . 1 . . . . 19 ALA H . 18157 1 82 . 1 1 19 19 ALA C C 13 175.211 0.000 . 1 . . . . 19 ALA C . 18157 1 83 . 1 1 19 19 ALA CA C 13 50.672 0.000 . 1 . . . . 19 ALA CA . 18157 1 84 . 1 1 19 19 ALA CB C 13 18.187 0.000 . 1 . . . . 19 ALA CB . 18157 1 85 . 1 1 19 19 ALA N N 15 125.411 0.034 . 1 . . . . 19 ALA N . 18157 1 86 . 1 1 20 20 PRO C C 13 176.951 0.000 . 1 . . . . 20 PRO C . 18157 1 87 . 1 1 20 20 PRO CA C 13 62.953 0.000 . 1 . . . . 20 PRO CA . 18157 1 88 . 1 1 20 20 PRO CB C 13 31.885 0.000 . 1 . . . . 20 PRO CB . 18157 1 89 . 1 1 21 21 VAL H H 1 8.206 0.032 . 1 . . . . 21 VAL H . 18157 1 90 . 1 1 21 21 VAL C C 13 176.280 0.011 . 1 . . . . 21 VAL C . 18157 1 91 . 1 1 21 21 VAL CA C 13 62.403 0.016 . 1 . . . . 21 VAL CA . 18157 1 92 . 1 1 21 21 VAL CB C 13 32.659 0.033 . 1 . . . . 21 VAL CB . 18157 1 93 . 1 1 21 21 VAL N N 15 120.356 0.014 . 1 . . . . 21 VAL N . 18157 1 94 . 1 1 22 22 GLN H H 1 8.505 0.032 . 1 . . . . 22 GLN H . 18157 1 95 . 1 1 22 22 GLN C C 13 175.973 0.010 . 1 . . . . 22 GLN C . 18157 1 96 . 1 1 22 22 GLN CA C 13 55.689 0.020 . 1 . . . . 22 GLN CA . 18157 1 97 . 1 1 22 22 GLN CB C 13 29.511 0.029 . 1 . . . . 22 GLN CB . 18157 1 98 . 1 1 22 22 GLN N N 15 124.092 0.031 . 1 . . . . 22 GLN N . 18157 1 99 . 1 1 23 23 THR H H 1 8.239 0.032 . 1 . . . . 23 THR H . 18157 1 100 . 1 1 23 23 THR C C 13 174.512 0.006 . 1 . . . . 23 THR C . 18157 1 101 . 1 1 23 23 THR CA C 13 62.054 0.000 . 1 . . . . 23 THR CA . 18157 1 102 . 1 1 23 23 THR CB C 13 69.747 0.023 . 1 . . . . 23 THR CB . 18157 1 103 . 1 1 23 23 THR N N 15 116.446 0.014 . 1 . . . . 23 THR N . 18157 1 104 . 1 1 24 24 VAL H H 1 8.220 0.032 . 1 . . . . 24 VAL H . 18157 1 105 . 1 1 24 24 VAL C C 13 176.242 0.006 . 1 . . . . 24 VAL C . 18157 1 106 . 1 1 24 24 VAL CA C 13 62.406 0.017 . 1 . . . . 24 VAL CA . 18157 1 107 . 1 1 24 24 VAL CB C 13 32.668 0.027 . 1 . . . . 24 VAL CB . 18157 1 108 . 1 1 24 24 VAL N N 15 122.745 0.021 . 1 . . . . 24 VAL N . 18157 1 109 . 1 1 25 25 THR H H 1 8.234 0.032 . 1 . . . . 25 THR H . 18157 1 110 . 1 1 25 25 THR C C 13 174.497 0.001 . 1 . . . . 25 THR C . 18157 1 111 . 1 1 25 25 THR CA C 13 62.110 0.039 . 1 . . . . 25 THR CA . 18157 1 112 . 1 1 25 25 THR CB C 13 69.638 0.024 . 1 . . . . 25 THR CB . 18157 1 113 . 1 1 25 25 THR N N 15 118.515 0.026 . 1 . . . . 25 THR N . 18157 1 114 . 1 1 26 26 ARG H H 1 8.371 0.035 . 1 . . . . 26 ARG H . 18157 1 115 . 1 1 26 26 ARG C C 13 176.244 0.014 . 1 . . . . 26 ARG C . 18157 1 116 . 1 1 26 26 ARG CA C 13 56.262 0.054 . 1 . . . . 26 ARG CA . 18157 1 117 . 1 1 26 26 ARG CB C 13 30.708 0.010 . 1 . . . . 26 ARG CB . 18157 1 118 . 1 1 26 26 ARG N N 15 123.793 0.164 . 1 . . . . 26 ARG N . 18157 1 119 . 1 1 27 27 SER H H 1 8.310 0.026 . 1 . . . . 27 SER H . 18157 1 120 . 1 1 27 27 SER C C 13 174.634 0.000 . 1 . . . . 27 SER C . 18157 1 121 . 1 1 27 27 SER CA C 13 58.476 0.022 . 1 . . . . 27 SER CA . 18157 1 122 . 1 1 27 27 SER CB C 13 63.769 0.001 . 1 . . . . 27 SER CB . 18157 1 123 . 1 1 27 27 SER N N 15 116.685 0.017 . 1 . . . . 27 SER N . 18157 1 124 . 1 1 28 28 ARG H H 1 8.345 0.032 . 1 . . . . 28 ARG H . 18157 1 125 . 1 1 28 28 ARG C C 13 176.074 0.008 . 1 . . . . 28 ARG C . 18157 1 126 . 1 1 28 28 ARG CA C 13 56.222 0.000 . 1 . . . . 28 ARG CA . 18157 1 127 . 1 1 28 28 ARG CB C 13 30.529 0.036 . 1 . . . . 28 ARG CB . 18157 1 128 . 1 1 28 28 ARG N N 15 123.010 0.000 . 1 . . . . 28 ARG N . 18157 1 129 . 1 1 29 29 ARG H H 1 8.181 0.032 . 1 . . . . 29 ARG H . 18157 1 130 . 1 1 29 29 ARG C C 13 175.841 0.008 . 1 . . . . 29 ARG C . 18157 1 131 . 1 1 29 29 ARG CA C 13 56.361 0.000 . 1 . . . . 29 ARG CA . 18157 1 132 . 1 1 29 29 ARG CB C 13 30.660 0.011 . 1 . . . . 29 ARG CB . 18157 1 133 . 1 1 29 29 ARG N N 15 121.413 0.051 . 1 . . . . 29 ARG N . 18157 1 134 . 1 1 30 30 PHE H H 1 8.176 0.033 . 1 . . . . 30 PHE H . 18157 1 135 . 1 1 30 30 PHE C C 13 175.270 0.007 . 1 . . . . 30 PHE C . 18157 1 136 . 1 1 30 30 PHE CA C 13 57.627 0.007 . 1 . . . . 30 PHE CA . 18157 1 137 . 1 1 30 30 PHE CB C 13 39.457 0.010 . 1 . . . . 30 PHE CB . 18157 1 138 . 1 1 30 30 PHE N N 15 120.680 0.055 . 1 . . . . 30 PHE N . 18157 1 139 . 1 1 31 31 LEU H H 1 8.084 0.032 . 1 . . . . 31 LEU H . 18157 1 140 . 1 1 31 31 LEU C C 13 176.635 0.010 . 1 . . . . 31 LEU C . 18157 1 141 . 1 1 31 31 LEU CA C 13 54.941 0.067 . 1 . . . . 31 LEU CA . 18157 1 142 . 1 1 31 31 LEU CB C 13 42.613 0.033 . 1 . . . . 31 LEU CB . 18157 1 143 . 1 1 31 31 LEU N N 15 123.553 0.017 . 1 . . . . 31 LEU N . 18157 1 144 . 1 1 32 32 ARG H H 1 8.324 0.033 . 1 . . . . 32 ARG H . 18157 1 145 . 1 1 32 32 ARG C C 13 176.359 0.007 . 1 . . . . 32 ARG C . 18157 1 146 . 1 1 32 32 ARG CA C 13 55.978 0.017 . 1 . . . . 32 ARG CA . 18157 1 147 . 1 1 32 32 ARG CB C 13 30.720 0.009 . 1 . . . . 32 ARG CB . 18157 1 148 . 1 1 32 32 ARG N N 15 122.020 0.058 . 1 . . . . 32 ARG N . 18157 1 149 . 1 1 33 33 THR H H 1 8.171 0.032 . 1 . . . . 33 THR H . 18157 1 150 . 1 1 33 33 THR C C 13 174.320 0.012 . 1 . . . . 33 THR C . 18157 1 151 . 1 1 33 33 THR CA C 13 61.869 0.027 . 1 . . . . 33 THR CA . 18157 1 152 . 1 1 33 33 THR CB C 13 69.794 0.019 . 1 . . . . 33 THR CB . 18157 1 153 . 1 1 33 33 THR N N 15 115.383 0.016 . 1 . . . . 33 THR N . 18157 1 154 . 1 1 34 34 ALA H H 1 8.335 0.032 . 1 . . . . 34 ALA H . 18157 1 155 . 1 1 34 34 ALA C C 13 177.483 0.015 . 1 . . . . 34 ALA C . 18157 1 156 . 1 1 34 34 ALA CA C 13 52.650 0.007 . 1 . . . . 34 ALA CA . 18157 1 157 . 1 1 34 34 ALA CB C 13 19.316 0.010 . 1 . . . . 34 ALA CB . 18157 1 158 . 1 1 34 34 ALA N N 15 125.276 0.027 . 1 . . . . 34 ALA N . 18157 1 159 . 1 1 35 35 ASP H H 1 8.297 0.032 . 1 . . . . 35 ASP H . 18157 1 160 . 1 1 35 35 ASP C C 13 176.401 0.012 . 1 . . . . 35 ASP C . 18157 1 161 . 1 1 35 35 ASP CA C 13 54.698 0.035 . 1 . . . . 35 ASP CA . 18157 1 162 . 1 1 35 35 ASP CB C 13 40.855 0.008 . 1 . . . . 35 ASP CB . 18157 1 163 . 1 1 35 35 ASP N N 15 119.049 0.025 . 1 . . . . 35 ASP N . 18157 1 164 . 1 1 36 36 THR H H 1 7.916 0.032 . 1 . . . . 36 THR H . 18157 1 165 . 1 1 36 36 THR C C 13 174.215 0.010 . 1 . . . . 36 THR C . 18157 1 166 . 1 1 36 36 THR CA C 13 61.847 0.030 . 1 . . . . 36 THR CA . 18157 1 167 . 1 1 36 36 THR CB C 13 69.669 0.038 . 1 . . . . 36 THR CB . 18157 1 168 . 1 1 36 36 THR N N 15 112.395 0.018 . 1 . . . . 36 THR N . 18157 1 169 . 1 1 37 37 ASP H H 1 8.267 0.032 . 1 . . . . 37 ASP H . 18157 1 170 . 1 1 37 37 ASP C C 13 175.813 0.006 . 1 . . . . 37 ASP C . 18157 1 171 . 1 1 37 37 ASP CA C 13 54.418 0.008 . 1 . . . . 37 ASP CA . 18157 1 172 . 1 1 37 37 ASP CB C 13 40.869 0.008 . 1 . . . . 37 ASP CB . 18157 1 173 . 1 1 37 37 ASP N N 15 122.489 0.035 . 1 . . . . 37 ASP N . 18157 1 174 . 1 1 38 38 ILE H H 1 7.932 0.032 . 1 . . . . 38 ILE H . 18157 1 175 . 1 1 38 38 ILE C C 13 175.714 0.000 . 1 . . . . 38 ILE C . 18157 1 176 . 1 1 38 38 ILE CA C 13 61.189 0.045 . 1 . . . . 38 ILE CA . 18157 1 177 . 1 1 38 38 ILE CB C 13 38.641 0.000 . 1 . . . . 38 ILE CB . 18157 1 178 . 1 1 38 38 ILE N N 15 120.758 0.022 . 1 . . . . 38 ILE N . 18157 1 179 . 1 1 39 39 VAL H H 1 8.079 0.032 . 1 . . . . 39 VAL H . 18157 1 180 . 1 1 39 39 VAL C C 13 175.479 0.001 . 1 . . . . 39 VAL C . 18157 1 181 . 1 1 39 39 VAL CA C 13 62.114 0.023 . 1 . . . . 39 VAL CA . 18157 1 182 . 1 1 39 39 VAL CB C 13 32.709 0.046 . 1 . . . . 39 VAL CB . 18157 1 183 . 1 1 39 39 VAL N N 15 124.309 0.000 . 1 . . . . 39 VAL N . 18157 1 184 . 1 1 40 40 TYR H H 1 8.300 0.030 . 1 . . . . 40 TYR H . 18157 1 185 . 1 1 40 40 TYR C C 13 174.932 0.007 . 1 . . . . 40 TYR C . 18157 1 186 . 1 1 40 40 TYR CA C 13 57.753 0.031 . 1 . . . . 40 TYR CA . 18157 1 187 . 1 1 40 40 TYR CB C 13 38.960 0.016 . 1 . . . . 40 TYR CB . 18157 1 188 . 1 1 40 40 TYR N N 15 124.887 0.028 . 1 . . . . 40 TYR N . 18157 1 189 . 1 1 41 41 GLU H H 1 8.174 0.028 . 1 . . . . 41 GLU H . 18157 1 190 . 1 1 41 41 GLU C C 13 173.662 0.000 . 1 . . . . 41 GLU C . 18157 1 191 . 1 1 41 41 GLU CA C 13 53.648 0.000 . 1 . . . . 41 GLU CA . 18157 1 192 . 1 1 41 41 GLU CB C 13 30.060 0.000 . 1 . . . . 41 GLU CB . 18157 1 193 . 1 1 41 41 GLU N N 15 124.702 0.032 . 1 . . . . 41 GLU N . 18157 1 194 . 1 1 42 42 PRO C C 13 176.781 0.000 . 1 . . . . 42 PRO C . 18157 1 195 . 1 1 42 42 PRO CA C 13 62.972 0.000 . 1 . . . . 42 PRO CA . 18157 1 196 . 1 1 42 42 PRO CB C 13 31.874 0.000 . 1 . . . . 42 PRO CB . 18157 1 197 . 1 1 43 43 LYS H H 1 8.373 0.033 . 1 . . . . 43 LYS H . 18157 1 198 . 1 1 43 43 LYS C C 13 176.545 0.020 . 1 . . . . 43 LYS C . 18157 1 199 . 1 1 43 43 LYS CA C 13 56.248 0.046 . 1 . . . . 43 LYS CA . 18157 1 200 . 1 1 43 43 LYS CB C 13 32.830 0.021 . 1 . . . . 43 LYS CB . 18157 1 201 . 1 1 43 43 LYS N N 15 120.847 0.028 . 1 . . . . 43 LYS N . 18157 1 202 . 1 1 44 44 VAL H H 1 7.966 0.032 . 1 . . . . 44 VAL H . 18157 1 203 . 1 1 44 44 VAL C C 13 175.678 0.004 . 1 . . . . 44 VAL C . 18157 1 204 . 1 1 44 44 VAL CA C 13 62.022 0.013 . 1 . . . . 44 VAL CA . 18157 1 205 . 1 1 44 44 VAL CB C 13 32.688 0.027 . 1 . . . . 44 VAL CB . 18157 1 206 . 1 1 44 44 VAL N N 15 120.220 0.021 . 1 . . . . 44 VAL N . 18157 1 207 . 1 1 45 45 HIS H H 1 8.580 0.032 . 1 . . . . 45 HIS H . 18157 1 208 . 1 1 45 45 HIS C C 13 173.669 0.010 . 1 . . . . 45 HIS C . 18157 1 209 . 1 1 45 45 HIS CA C 13 55.159 0.047 . 1 . . . . 45 HIS CA . 18157 1 210 . 1 1 45 45 HIS CB C 13 29.162 0.016 . 1 . . . . 45 HIS CB . 18157 1 211 . 1 1 45 45 HIS N N 15 122.506 0.031 . 1 . . . . 45 HIS N . 18157 1 212 . 1 1 46 46 ASN H H 1 8.564 0.033 . 1 . . . . 46 ASN H . 18157 1 213 . 1 1 46 46 ASN C C 13 173.093 0.000 . 1 . . . . 46 ASN C . 18157 1 214 . 1 1 46 46 ASN CA C 13 51.272 0.000 . 1 . . . . 46 ASN CA . 18157 1 215 . 1 1 46 46 ASN CB C 13 38.781 0.000 . 1 . . . . 46 ASN CB . 18157 1 216 . 1 1 46 46 ASN N N 15 121.698 0.019 . 1 . . . . 46 ASN N . 18157 1 217 . 1 1 47 47 PRO C C 13 177.274 0.011 . 1 . . . . 47 PRO C . 18157 1 218 . 1 1 47 47 PRO CA C 13 63.551 0.002 . 1 . . . . 47 PRO CA . 18157 1 219 . 1 1 47 47 PRO CB C 13 32.010 0.019 . 1 . . . . 47 PRO CB . 18157 1 220 . 1 1 48 48 GLY H H 1 8.371 0.033 . 1 . . . . 48 GLY H . 18157 1 221 . 1 1 48 48 GLY C C 13 173.903 0.009 . 1 . . . . 48 GLY C . 18157 1 222 . 1 1 48 48 GLY CA C 13 45.138 0.016 . 1 . . . . 48 GLY CA . 18157 1 223 . 1 1 48 48 GLY N N 15 108.588 0.018 . 1 . . . . 48 GLY N . 18157 1 224 . 1 1 49 49 LYS H H 1 8.063 0.035 . 1 . . . . 49 LYS H . 18157 1 225 . 1 1 49 49 LYS C C 13 176.486 0.010 . 1 . . . . 49 LYS C . 18157 1 226 . 1 1 49 49 LYS CA C 13 56.125 0.012 . 1 . . . . 49 LYS CA . 18157 1 227 . 1 1 49 49 LYS CB C 13 33.036 0.041 . 1 . . . . 49 LYS CB . 18157 1 228 . 1 1 49 49 LYS N N 15 120.803 0.026 . 1 . . . . 49 LYS N . 18157 1 229 . 1 1 50 50 LYS H H 1 8.335 0.032 . 1 . . . . 50 LYS H . 18157 1 230 . 1 1 50 50 LYS C C 13 176.291 0.026 . 1 . . . . 50 LYS C . 18157 1 231 . 1 1 50 50 LYS CA C 13 56.308 0.002 . 1 . . . . 50 LYS CA . 18157 1 232 . 1 1 50 50 LYS CB C 13 32.846 0.028 . 1 . . . . 50 LYS CB . 18157 1 233 . 1 1 50 50 LYS N N 15 122.766 0.000 . 1 . . . . 50 LYS N . 18157 1 234 . 1 1 51 51 GLN H H 1 8.368 0.032 . 1 . . . . 51 GLN H . 18157 1 235 . 1 1 51 51 GLN C C 13 175.359 0.015 . 1 . . . . 51 GLN C . 18157 1 236 . 1 1 51 51 GLN CA C 13 55.612 0.011 . 1 . . . . 51 GLN CA . 18157 1 237 . 1 1 51 51 GLN CB C 13 29.600 0.015 . 1 . . . . 51 GLN CB . 18157 1 238 . 1 1 51 51 GLN N N 15 122.184 0.055 . 1 . . . . 51 GLN N . 18157 1 239 . 1 1 52 52 VAL H H 1 8.110 0.025 . 1 . . . . 52 VAL H . 18157 1 240 . 1 1 52 52 VAL CA C 13 62.182 0.000 . 1 . . . . 52 VAL CA . 18157 1 241 . 1 1 52 52 VAL CB C 13 32.639 0.000 . 1 . . . . 52 VAL CB . 18157 1 242 . 1 1 52 52 VAL N N 15 121.587 0.017 . 1 . . . . 52 VAL N . 18157 1 243 . 1 1 54 54 ILE C C 13 175.218 0.013 . 1 . . . . 54 ILE C . 18157 1 244 . 1 1 54 54 ILE CA C 13 60.608 0.036 . 1 . . . . 54 ILE CA . 18157 1 245 . 1 1 54 54 ILE CB C 13 39.215 0.026 . 1 . . . . 54 ILE CB . 18157 1 246 . 1 1 55 55 GLU H H 1 8.528 0.032 . 1 . . . . 55 GLU H . 18157 1 247 . 1 1 55 55 GLU C C 13 176.245 0.007 . 1 . . . . 55 GLU C . 18157 1 248 . 1 1 55 55 GLU CA C 13 57.043 0.011 . 1 . . . . 55 GLU CA . 18157 1 249 . 1 1 55 55 GLU CB C 13 30.111 0.041 . 1 . . . . 55 GLU CB . 18157 1 250 . 1 1 55 55 GLU N N 15 125.314 0.028 . 1 . . . . 55 GLU N . 18157 1 251 . 1 1 56 56 ASP H H 1 8.342 0.001 . 1 . . . . 56 ASP H . 18157 1 252 . 1 1 56 56 ASP C C 13 176.810 0.005 . 1 . . . . 56 ASP C . 18157 1 253 . 1 1 56 56 ASP CA C 13 55.251 0.076 . 1 . . . . 56 ASP CA . 18157 1 254 . 1 1 56 56 ASP CB C 13 41.141 0.059 . 1 . . . . 56 ASP CB . 18157 1 255 . 1 1 56 56 ASP N N 15 121.464 0.054 . 1 . . . . 56 ASP N . 18157 1 256 . 1 1 57 57 LYS H H 1 8.331 0.032 . 1 . . . . 57 LYS H . 18157 1 257 . 1 1 57 57 LYS C C 13 177.266 0.012 . 1 . . . . 57 LYS C . 18157 1 258 . 1 1 57 57 LYS CA C 13 57.272 0.030 . 1 . . . . 57 LYS CA . 18157 1 259 . 1 1 57 57 LYS CB C 13 32.324 0.053 . 1 . . . . 57 LYS CB . 18157 1 260 . 1 1 57 57 LYS N N 15 119.948 0.050 . 1 . . . . 57 LYS N . 18157 1 261 . 1 1 58 58 LEU H H 1 7.981 0.032 . 1 . . . . 58 LEU H . 18157 1 262 . 1 1 58 58 LEU C C 13 177.731 0.026 . 1 . . . . 58 LEU C . 18157 1 263 . 1 1 58 58 LEU CA C 13 55.706 0.039 . 1 . . . . 58 LEU CA . 18157 1 264 . 1 1 58 58 LEU CB C 13 41.949 0.039 . 1 . . . . 58 LEU CB . 18157 1 265 . 1 1 58 58 LEU N N 15 120.932 0.043 . 1 . . . . 58 LEU N . 18157 1 266 . 1 1 59 59 GLN H H 1 8.207 0.032 . 1 . . . . 59 GLN H . 18157 1 267 . 1 1 59 59 GLN C C 13 177.387 0.002 . 1 . . . . 59 GLN C . 18157 1 268 . 1 1 59 59 GLN CA C 13 58.200 0.052 . 1 . . . . 59 GLN CA . 18157 1 269 . 1 1 59 59 GLN CB C 13 28.452 0.035 . 1 . . . . 59 GLN CB . 18157 1 270 . 1 1 59 59 GLN N N 15 119.826 0.013 . 1 . . . . 59 GLN N . 18157 1 271 . 1 1 60 60 LYS H H 1 8.151 0.026 . 1 . . . . 60 LYS H . 18157 1 272 . 1 1 60 60 LYS C C 13 177.385 0.004 . 1 . . . . 60 LYS C . 18157 1 273 . 1 1 60 60 LYS CA C 13 57.606 0.036 . 1 . . . . 60 LYS CA . 18157 1 274 . 1 1 60 60 LYS CB C 13 32.392 0.059 . 1 . . . . 60 LYS CB . 18157 1 275 . 1 1 60 60 LYS N N 15 118.737 0.000 . 1 . . . . 60 LYS N . 18157 1 276 . 1 1 61 61 ALA H H 1 7.832 0.032 . 1 . . . . 61 ALA H . 18157 1 277 . 1 1 61 61 ALA C C 13 178.555 0.009 . 1 . . . . 61 ALA C . 18157 1 278 . 1 1 61 61 ALA CA C 13 53.426 0.069 . 1 . . . . 61 ALA CA . 18157 1 279 . 1 1 61 61 ALA CB C 13 18.949 0.009 . 1 . . . . 61 ALA CB . 18157 1 280 . 1 1 61 61 ALA N N 15 122.154 0.030 . 1 . . . . 61 ALA N . 18157 1 281 . 1 1 62 62 LEU H H 1 7.855 0.033 . 1 . . . . 62 LEU H . 18157 1 282 . 1 1 62 62 LEU C C 13 177.664 0.010 . 1 . . . . 62 LEU C . 18157 1 283 . 1 1 62 62 LEU CA C 13 55.781 0.023 . 1 . . . . 62 LEU CA . 18157 1 284 . 1 1 62 62 LEU CB C 13 42.163 0.034 . 1 . . . . 62 LEU CB . 18157 1 285 . 1 1 62 62 LEU N N 15 117.371 0.046 . 1 . . . . 62 LEU N . 18157 1 286 . 1 1 63 63 THR H H 1 7.643 0.033 . 1 . . . . 63 THR H . 18157 1 287 . 1 1 63 63 THR C C 13 173.791 0.012 . 1 . . . . 63 THR C . 18157 1 288 . 1 1 63 63 THR CA C 13 61.416 0.006 . 1 . . . . 63 THR CA . 18157 1 289 . 1 1 63 63 THR CB C 13 69.543 0.000 . 1 . . . . 63 THR CB . 18157 1 290 . 1 1 63 63 THR N N 15 109.451 0.018 . 1 . . . . 63 THR N . 18157 1 291 . 1 1 64 64 ASP H H 1 7.699 0.033 . 1 . . . . 64 ASP H . 18157 1 292 . 1 1 64 64 ASP C C 13 174.646 0.000 . 1 . . . . 64 ASP C . 18157 1 293 . 1 1 64 64 ASP CA C 13 51.215 0.000 . 1 . . . . 64 ASP CA . 18157 1 294 . 1 1 64 64 ASP CB C 13 42.012 0.000 . 1 . . . . 64 ASP CB . 18157 1 295 . 1 1 64 64 ASP N N 15 123.865 0.032 . 1 . . . . 64 ASP N . 18157 1 296 . 1 1 65 65 PRO C C 13 179.039 0.000 . 1 . . . . 65 PRO C . 18157 1 297 . 1 1 65 65 PRO CA C 13 64.621 0.009 . 1 . . . . 65 PRO CA . 18157 1 298 . 1 1 65 65 PRO CB C 13 32.246 0.007 . 1 . . . . 65 PRO CB . 18157 1 299 . 1 1 66 66 LYS H H 1 8.166 0.032 . 1 . . . . 66 LYS H . 18157 1 300 . 1 1 66 66 LYS C C 13 179.185 0.000 . 1 . . . . 66 LYS C . 18157 1 301 . 1 1 66 66 LYS CA C 13 58.820 0.013 . 1 . . . . 66 LYS CA . 18157 1 302 . 1 1 66 66 LYS CB C 13 31.819 0.004 . 1 . . . . 66 LYS CB . 18157 1 303 . 1 1 66 66 LYS N N 15 117.975 0.051 . 1 . . . . 66 LYS N . 18157 1 304 . 1 1 67 67 LYS H H 1 7.588 0.031 . 1 . . . . 67 LYS H . 18157 1 305 . 1 1 67 67 LYS C C 13 178.962 0.030 . 1 . . . . 67 LYS C . 18157 1 306 . 1 1 67 67 LYS CA C 13 58.287 0.012 . 1 . . . . 67 LYS CA . 18157 1 307 . 1 1 67 67 LYS CB C 13 32.350 0.034 . 1 . . . . 67 LYS CB . 18157 1 308 . 1 1 67 67 LYS N N 15 119.614 0.094 . 1 . . . . 67 LYS N . 18157 1 309 . 1 1 68 68 ASN H H 1 8.173 0.034 . 1 . . . . 68 ASN H . 18157 1 310 . 1 1 68 68 ASN C C 13 175.439 0.005 . 1 . . . . 68 ASN C . 18157 1 311 . 1 1 68 68 ASN CA C 13 55.163 0.082 . 1 . . . . 68 ASN CA . 18157 1 312 . 1 1 68 68 ASN CB C 13 37.243 0.028 . 1 . . . . 68 ASN CB . 18157 1 313 . 1 1 68 68 ASN N N 15 118.937 0.021 . 1 . . . . 68 ASN N . 18157 1 314 . 1 1 69 69 LYS H H 1 7.444 0.031 . 1 . . . . 69 LYS H . 18157 1 315 . 1 1 69 69 LYS C C 13 178.228 0.009 . 1 . . . . 69 LYS C . 18157 1 316 . 1 1 69 69 LYS CA C 13 59.789 0.036 . 1 . . . . 69 LYS CA . 18157 1 317 . 1 1 69 69 LYS CB C 13 31.847 0.000 . 1 . . . . 69 LYS CB . 18157 1 318 . 1 1 69 69 LYS N N 15 117.678 0.021 . 1 . . . . 69 LYS N . 18157 1 319 . 1 1 70 70 LYS H H 1 7.206 0.032 . 1 . . . . 70 LYS H . 18157 1 320 . 1 1 70 70 LYS C C 13 178.995 0.015 . 1 . . . . 70 LYS C . 18157 1 321 . 1 1 70 70 LYS CA C 13 58.883 0.014 . 1 . . . . 70 LYS CA . 18157 1 322 . 1 1 70 70 LYS CB C 13 32.039 0.011 . 1 . . . . 70 LYS CB . 18157 1 323 . 1 1 70 70 LYS N N 15 117.658 0.002 . 1 . . . . 70 LYS N . 18157 1 324 . 1 1 71 71 LEU H H 1 6.973 0.032 . 1 . . . . 71 LEU H . 18157 1 325 . 1 1 71 71 LEU C C 13 176.916 0.005 . 1 . . . . 71 LEU C . 18157 1 326 . 1 1 71 71 LEU CA C 13 57.172 0.022 . 1 . . . . 71 LEU CA . 18157 1 327 . 1 1 71 71 LEU CB C 13 40.840 0.023 . 1 . . . . 71 LEU CB . 18157 1 328 . 1 1 71 71 LEU N N 15 122.336 0.021 . 1 . . . . 71 LEU N . 18157 1 329 . 1 1 72 72 TYR H H 1 7.725 0.032 . 1 . . . . 72 TYR H . 18157 1 330 . 1 1 72 72 TYR C C 13 178.204 0.008 . 1 . . . . 72 TYR C . 18157 1 331 . 1 1 72 72 TYR CA C 13 56.790 0.005 . 1 . . . . 72 TYR CA . 18157 1 332 . 1 1 72 72 TYR CB C 13 34.334 0.021 . 1 . . . . 72 TYR CB . 18157 1 333 . 1 1 72 72 TYR N N 15 115.922 0.019 . 1 . . . . 72 TYR N . 18157 1 334 . 1 1 73 73 ALA H H 1 7.815 0.035 . 1 . . . . 73 ALA H . 18157 1 335 . 1 1 73 73 ALA C C 13 179.564 0.006 . 1 . . . . 73 ALA C . 18157 1 336 . 1 1 73 73 ALA CA C 13 55.582 0.009 . 1 . . . . 73 ALA CA . 18157 1 337 . 1 1 73 73 ALA CB C 13 17.996 0.050 . 1 . . . . 73 ALA CB . 18157 1 338 . 1 1 73 73 ALA N N 15 119.794 0.094 . 1 . . . . 73 ALA N . 18157 1 339 . 1 1 74 74 ARG H H 1 7.443 0.032 . 1 . . . . 74 ARG H . 18157 1 340 . 1 1 74 74 ARG C C 13 180.213 0.028 . 1 . . . . 74 ARG C . 18157 1 341 . 1 1 74 74 ARG CA C 13 59.495 0.014 . 1 . . . . 74 ARG CA . 18157 1 342 . 1 1 74 74 ARG CB C 13 29.551 0.029 . 1 . . . . 74 ARG CB . 18157 1 343 . 1 1 74 74 ARG N N 15 119.167 0.022 . 1 . . . . 74 ARG N . 18157 1 344 . 1 1 75 75 TRP H H 1 8.757 0.032 . 1 . . . . 75 TRP H . 18157 1 345 . 1 1 75 75 TRP C C 13 178.112 0.006 . 1 . . . . 75 TRP C . 18157 1 346 . 1 1 75 75 TRP CA C 13 58.170 0.035 . 1 . . . . 75 TRP CA . 18157 1 347 . 1 1 75 75 TRP CB C 13 29.111 0.050 . 1 . . . . 75 TRP CB . 18157 1 348 . 1 1 75 75 TRP N N 15 122.946 0.018 . 1 . . . . 75 TRP N . 18157 1 349 . 1 1 76 76 TYR H H 1 9.513 0.032 . 1 . . . . 76 TYR H . 18157 1 350 . 1 1 76 76 TYR C C 13 181.425 0.021 . 1 . . . . 76 TYR C . 18157 1 351 . 1 1 76 76 TYR CA C 13 62.591 0.015 . 1 . . . . 76 TYR CA . 18157 1 352 . 1 1 76 76 TYR CB C 13 40.290 0.063 . 1 . . . . 76 TYR CB . 18157 1 353 . 1 1 76 76 TYR N N 15 122.262 0.038 . 1 . . . . 76 TYR N . 18157 1 354 . 1 1 77 77 ASN H H 1 9.202 0.031 . 1 . . . . 77 ASN H . 18157 1 355 . 1 1 77 77 ASN C C 13 177.343 0.005 . 1 . . . . 77 ASN C . 18157 1 356 . 1 1 77 77 ASN CA C 13 55.561 0.033 . 1 . . . . 77 ASN CA . 18157 1 357 . 1 1 77 77 ASN CB C 13 37.837 0.027 . 1 . . . . 77 ASN CB . 18157 1 358 . 1 1 77 77 ASN N N 15 121.001 0.044 . 1 . . . . 77 ASN N . 18157 1 359 . 1 1 78 78 SER H H 1 7.851 0.025 . 1 . . . . 78 SER H . 18157 1 360 . 1 1 78 78 SER C C 13 173.389 0.000 . 1 . . . . 78 SER C . 18157 1 361 . 1 1 78 78 SER CA C 13 59.584 0.083 . 1 . . . . 78 SER CA . 18157 1 362 . 1 1 78 78 SER CB C 13 63.518 0.012 . 1 . . . . 78 SER CB . 18157 1 363 . 1 1 78 78 SER N N 15 114.547 0.034 . 1 . . . . 78 SER N . 18157 1 364 . 1 1 79 79 GLY H H 1 7.849 0.027 . 1 . . . . 79 GLY H . 18157 1 365 . 1 1 79 79 GLY C C 13 175.152 0.006 . 1 . . . . 79 GLY C . 18157 1 366 . 1 1 79 79 GLY CA C 13 45.296 0.012 . 1 . . . . 79 GLY CA . 18157 1 367 . 1 1 79 79 GLY N N 15 108.344 0.025 . 1 . . . . 79 GLY N . 18157 1 368 . 1 1 80 80 PHE H H 1 7.829 0.034 . 1 . . . . 80 PHE H . 18157 1 369 . 1 1 80 80 PHE C C 13 177.610 0.009 . 1 . . . . 80 PHE C . 18157 1 370 . 1 1 80 80 PHE CA C 13 55.426 0.077 . 1 . . . . 80 PHE CA . 18157 1 371 . 1 1 80 80 PHE CB C 13 37.818 0.041 . 1 . . . . 80 PHE CB . 18157 1 372 . 1 1 80 80 PHE N N 15 118.851 0.000 . 1 . . . . 80 PHE N . 18157 1 373 . 1 1 81 81 THR H H 1 8.788 0.032 . 1 . . . . 81 THR H . 18157 1 374 . 1 1 81 81 THR C C 13 175.101 0.005 . 1 . . . . 81 THR C . 18157 1 375 . 1 1 81 81 THR CA C 13 60.515 0.055 . 1 . . . . 81 THR CA . 18157 1 376 . 1 1 81 81 THR CB C 13 70.538 0.049 . 1 . . . . 81 THR CB . 18157 1 377 . 1 1 81 81 THR N N 15 116.565 0.000 . 1 . . . . 81 THR N . 18157 1 378 . 1 1 82 82 VAL H H 1 8.124 0.032 . 1 . . . . 82 VAL H . 18157 1 379 . 1 1 82 82 VAL C C 13 177.777 0.000 . 1 . . . . 82 VAL C . 18157 1 380 . 1 1 82 82 VAL CA C 13 67.299 0.000 . 1 . . . . 82 VAL CA . 18157 1 381 . 1 1 82 82 VAL CB C 13 31.155 0.000 . 1 . . . . 82 VAL CB . 18157 1 382 . 1 1 82 82 VAL N N 15 120.145 0.000 . 1 . . . . 82 VAL N . 18157 1 383 . 1 1 85 85 VAL H H 1 7.636 0.031 . 1 . . . . 85 VAL H . 18157 1 384 . 1 1 85 85 VAL C C 13 177.350 0.015 . 1 . . . . 85 VAL C . 18157 1 385 . 1 1 85 85 VAL CA C 13 66.255 0.007 . 1 . . . . 85 VAL CA . 18157 1 386 . 1 1 85 85 VAL N N 15 120.796 0.000 . 1 . . . . 85 VAL N . 18157 1 387 . 1 1 86 86 GLU H H 1 8.495 0.035 . 1 . . . . 86 GLU H . 18157 1 388 . 1 1 86 86 GLU C C 13 178.836 0.016 . 1 . . . . 86 GLU C . 18157 1 389 . 1 1 86 86 GLU CA C 13 59.630 0.006 . 1 . . . . 86 GLU CA . 18157 1 390 . 1 1 86 86 GLU CB C 13 29.348 0.136 . 1 . . . . 86 GLU CB . 18157 1 391 . 1 1 86 86 GLU N N 15 118.784 0.015 . 1 . . . . 86 GLU N . 18157 1 392 . 1 1 87 87 GLY H H 1 7.867 0.033 . 1 . . . . 87 GLY H . 18157 1 393 . 1 1 87 87 GLY C C 13 175.669 0.032 . 1 . . . . 87 GLY C . 18157 1 394 . 1 1 87 87 GLY CA C 13 46.152 0.028 . 1 . . . . 87 GLY CA . 18157 1 395 . 1 1 87 87 GLY N N 15 103.876 0.000 . 1 . . . . 87 GLY N . 18157 1 396 . 1 1 88 88 GLY H H 1 7.586 0.037 . 1 . . . . 88 GLY H . 18157 1 397 . 1 1 88 88 GLY C C 13 175.046 0.015 . 1 . . . . 88 GLY C . 18157 1 398 . 1 1 88 88 GLY CA C 13 45.833 0.028 . 1 . . . . 88 GLY CA . 18157 1 399 . 1 1 88 88 GLY N N 15 108.559 0.028 . 1 . . . . 88 GLY N . 18157 1 400 . 1 1 89 89 LEU H H 1 7.650 0.035 . 1 . . . . 89 LEU H . 18157 1 401 . 1 1 89 89 LEU C C 13 177.335 0.007 . 1 . . . . 89 LEU C . 18157 1 402 . 1 1 89 89 LEU CA C 13 55.676 0.035 . 1 . . . . 89 LEU CA . 18157 1 403 . 1 1 89 89 LEU CB C 13 40.990 0.066 . 1 . . . . 89 LEU CB . 18157 1 404 . 1 1 89 89 LEU N N 15 120.888 0.039 . 1 . . . . 89 LEU N . 18157 1 405 . 1 1 90 90 ASP H H 1 7.836 0.032 . 1 . . . . 90 ASP H . 18157 1 406 . 1 1 90 90 ASP C C 13 176.350 0.004 . 1 . . . . 90 ASP C . 18157 1 407 . 1 1 90 90 ASP CA C 13 54.729 0.001 . 1 . . . . 90 ASP CA . 18157 1 408 . 1 1 90 90 ASP CB C 13 40.492 0.002 . 1 . . . . 90 ASP CB . 18157 1 409 . 1 1 90 90 ASP N N 15 119.088 0.047 . 1 . . . . 90 ASP N . 18157 1 410 . 1 1 91 91 GLN H H 1 7.820 0.033 . 1 . . . . 91 GLN H . 18157 1 411 . 1 1 91 91 GLN C C 13 175.806 0.009 . 1 . . . . 91 GLN C . 18157 1 412 . 1 1 91 91 GLN CA C 13 55.922 0.022 . 1 . . . . 91 GLN CA . 18157 1 413 . 1 1 91 91 GLN CB C 13 28.857 0.021 . 1 . . . . 91 GLN CB . 18157 1 414 . 1 1 91 91 GLN N N 15 118.643 0.008 . 1 . . . . 91 GLN N . 18157 1 415 . 1 1 92 92 ASN H H 1 8.096 0.032 . 1 . . . . 92 ASN H . 18157 1 416 . 1 1 92 92 ASN C C 13 175.038 0.005 . 1 . . . . 92 ASN C . 18157 1 417 . 1 1 92 92 ASN CA C 13 54.126 0.034 . 1 . . . . 92 ASN CA . 18157 1 418 . 1 1 92 92 ASN CB C 13 39.441 0.013 . 1 . . . . 92 ASN CB . 18157 1 419 . 1 1 92 92 ASN N N 15 118.363 0.026 . 1 . . . . 92 ASN N . 18157 1 420 . 1 1 93 93 GLU H H 1 8.439 0.033 . 1 . . . . 93 GLU H . 18157 1 421 . 1 1 93 93 GLU C C 13 175.844 0.009 . 1 . . . . 93 GLU C . 18157 1 422 . 1 1 93 93 GLU CA C 13 56.811 0.032 . 1 . . . . 93 GLU CA . 18157 1 423 . 1 1 93 93 GLU CB C 13 29.840 0.018 . 1 . . . . 93 GLU CB . 18157 1 424 . 1 1 93 93 GLU N N 15 120.999 0.013 . 1 . . . . 93 GLU N . 18157 1 425 . 1 1 94 94 ASN H H 1 8.149 0.032 . 1 . . . . 94 ASN H . 18157 1 426 . 1 1 94 94 ASN C C 13 175.816 0.021 . 1 . . . . 94 ASN C . 18157 1 427 . 1 1 94 94 ASN CA C 13 52.743 0.025 . 1 . . . . 94 ASN CA . 18157 1 428 . 1 1 94 94 ASN CB C 13 38.621 0.051 . 1 . . . . 94 ASN CB . 18157 1 429 . 1 1 94 94 ASN N N 15 117.943 0.068 . 1 . . . . 94 ASN N . 18157 1 430 . 1 1 95 95 ARG H H 1 8.733 0.031 . 1 . . . . 95 ARG H . 18157 1 431 . 1 1 95 95 ARG C C 13 177.993 0.012 . 1 . . . . 95 ARG C . 18157 1 432 . 1 1 95 95 ARG CA C 13 58.354 0.004 . 1 . . . . 95 ARG CA . 18157 1 433 . 1 1 95 95 ARG CB C 13 29.659 0.058 . 1 . . . . 95 ARG CB . 18157 1 434 . 1 1 95 95 ARG N N 15 124.328 0.017 . 1 . . . . 95 ARG N . 18157 1 435 . 1 1 96 96 GLU H H 1 8.489 0.025 . 1 . . . . 96 GLU H . 18157 1 436 . 1 1 96 96 GLU C C 13 178.021 0.001 . 1 . . . . 96 GLU C . 18157 1 437 . 1 1 96 96 GLU CA C 13 58.555 0.043 . 1 . . . . 96 GLU CA . 18157 1 438 . 1 1 96 96 GLU CB C 13 28.878 0.026 . 1 . . . . 96 GLU CB . 18157 1 439 . 1 1 96 96 GLU N N 15 118.953 0.011 . 1 . . . . 96 GLU N . 18157 1 440 . 1 1 97 97 LEU H H 1 7.733 0.033 . 1 . . . . 97 LEU H . 18157 1 441 . 1 1 97 97 LEU C C 13 177.004 0.004 . 1 . . . . 97 LEU C . 18157 1 442 . 1 1 97 97 LEU CA C 13 55.037 0.067 . 1 . . . . 97 LEU CA . 18157 1 443 . 1 1 97 97 LEU CB C 13 42.194 0.049 . 1 . . . . 97 LEU CB . 18157 1 444 . 1 1 97 97 LEU N N 15 119.509 0.000 . 1 . . . . 97 LEU N . 18157 1 445 . 1 1 98 98 GLU H H 1 7.779 0.031 . 1 . . . . 98 GLU H . 18157 1 446 . 1 1 98 98 GLU C C 13 178.174 0.003 . 1 . . . . 98 GLU C . 18157 1 447 . 1 1 98 98 GLU CA C 13 59.696 0.033 . 1 . . . . 98 GLU CA . 18157 1 448 . 1 1 98 98 GLU CB C 13 29.402 0.040 . 1 . . . . 98 GLU CB . 18157 1 449 . 1 1 98 98 GLU N N 15 120.199 0.028 . 1 . . . . 98 GLU N . 18157 1 450 . 1 1 99 99 LEU H H 1 8.322 0.026 . 1 . . . . 99 LEU H . 18157 1 451 . 1 1 99 99 LEU C C 13 178.875 0.020 . 1 . . . . 99 LEU C . 18157 1 452 . 1 1 99 99 LEU CA C 13 57.904 0.002 . 1 . . . . 99 LEU CA . 18157 1 453 . 1 1 99 99 LEU CB C 13 41.171 0.048 . 1 . . . . 99 LEU CB . 18157 1 454 . 1 1 99 99 LEU N N 15 119.799 0.026 . 1 . . . . 99 LEU N . 18157 1 455 . 1 1 100 100 THR H H 1 7.819 0.034 . 1 . . . . 100 THR H . 18157 1 456 . 1 1 100 100 THR N N 15 116.425 0.022 . 1 . . . . 100 THR N . 18157 1 457 . 1 1 104 104 LEU C C 13 180.011 0.000 . 1 . . . . 104 LEU C . 18157 1 458 . 1 1 104 104 LEU CA C 13 57.626 0.000 . 1 . . . . 104 LEU CA . 18157 1 459 . 1 1 104 104 LEU CB C 13 42.955 0.000 . 1 . . . . 104 LEU CB . 18157 1 460 . 1 1 105 105 ALA H H 1 8.422 0.033 . 1 . . . . 105 ALA H . 18157 1 461 . 1 1 105 105 ALA C C 13 179.954 0.000 . 1 . . . . 105 ALA C . 18157 1 462 . 1 1 105 105 ALA CA C 13 55.945 0.000 . 1 . . . . 105 ALA CA . 18157 1 463 . 1 1 105 105 ALA CB C 13 18.200 0.000 . 1 . . . . 105 ALA CB . 18157 1 464 . 1 1 105 105 ALA N N 15 123.076 0.000 . 1 . . . . 105 ALA N . 18157 1 465 . 1 1 109 109 ALA H H 1 8.030 0.034 . 1 . . . . 109 ALA H . 18157 1 466 . 1 1 109 109 ALA C C 13 180.466 0.007 . 1 . . . . 109 ALA C . 18157 1 467 . 1 1 109 109 ALA CA C 13 55.534 0.061 . 1 . . . . 109 ALA CA . 18157 1 468 . 1 1 109 109 ALA CB C 13 17.758 0.061 . 1 . . . . 109 ALA CB . 18157 1 469 . 1 1 109 109 ALA N N 15 120.869 0.091 . 1 . . . . 109 ALA N . 18157 1 470 . 1 1 110 110 LYS H H 1 7.370 0.032 . 1 . . . . 110 LYS H . 18157 1 471 . 1 1 110 110 LYS C C 13 178.870 0.009 . 1 . . . . 110 LYS C . 18157 1 472 . 1 1 110 110 LYS CA C 13 59.109 0.023 . 1 . . . . 110 LYS CA . 18157 1 473 . 1 1 110 110 LYS CB C 13 32.402 0.041 . 1 . . . . 110 LYS CB . 18157 1 474 . 1 1 110 110 LYS N N 15 116.828 0.019 . 1 . . . . 110 LYS N . 18157 1 475 . 1 1 111 111 TYR H H 1 7.924 0.032 . 1 . . . . 111 TYR H . 18157 1 476 . 1 1 111 111 TYR C C 13 176.476 0.018 . 1 . . . . 111 TYR C . 18157 1 477 . 1 1 111 111 TYR CA C 13 61.629 0.022 . 1 . . . . 111 TYR CA . 18157 1 478 . 1 1 111 111 TYR CB C 13 39.095 0.063 . 1 . . . . 111 TYR CB . 18157 1 479 . 1 1 111 111 TYR N N 15 122.887 0.035 . 1 . . . . 111 TYR N . 18157 1 480 . 1 1 112 112 TYR H H 1 9.415 0.032 . 1 . . . . 112 TYR H . 18157 1 481 . 1 1 112 112 TYR C C 13 177.130 0.006 . 1 . . . . 112 TYR C . 18157 1 482 . 1 1 112 112 TYR CA C 13 61.417 0.019 . 1 . . . . 112 TYR CA . 18157 1 483 . 1 1 112 112 TYR CB C 13 39.347 0.010 . 1 . . . . 112 TYR CB . 18157 1 484 . 1 1 112 112 TYR N N 15 121.120 0.035 . 1 . . . . 112 TYR N . 18157 1 485 . 1 1 113 113 GLN H H 1 7.738 0.033 . 1 . . . . 113 GLN H . 18157 1 486 . 1 1 113 113 GLN C C 13 178.583 0.009 . 1 . . . . 113 GLN C . 18157 1 487 . 1 1 113 113 GLN CA C 13 58.423 0.038 . 1 . . . . 113 GLN CA . 18157 1 488 . 1 1 113 113 GLN CB C 13 28.269 0.016 . 1 . . . . 113 GLN CB . 18157 1 489 . 1 1 113 113 GLN N N 15 115.708 0.010 . 1 . . . . 113 GLN N . 18157 1 490 . 1 1 114 114 ALA H H 1 7.643 0.036 . 1 . . . . 114 ALA H . 18157 1 491 . 1 1 114 114 ALA C C 13 180.242 0.015 . 1 . . . . 114 ALA C . 18157 1 492 . 1 1 114 114 ALA CA C 13 54.847 0.055 . 1 . . . . 114 ALA CA . 18157 1 493 . 1 1 114 114 ALA CB C 13 17.719 0.028 . 1 . . . . 114 ALA CB . 18157 1 494 . 1 1 114 114 ALA N N 15 121.865 0.055 . 1 . . . . 114 ALA N . 18157 1 495 . 1 1 115 115 ARG H H 1 8.010 0.032 . 1 . . . . 115 ARG H . 18157 1 496 . 1 1 115 115 ARG C C 13 179.059 0.018 . 1 . . . . 115 ARG C . 18157 1 497 . 1 1 115 115 ARG CA C 13 57.945 0.003 . 1 . . . . 115 ARG CA . 18157 1 498 . 1 1 115 115 ARG CB C 13 28.569 0.057 . 1 . . . . 115 ARG CB . 18157 1 499 . 1 1 115 115 ARG N N 15 119.049 0.020 . 1 . . . . 115 ARG N . 18157 1 500 . 1 1 116 116 ARG H H 1 8.267 0.036 . 1 . . . . 116 ARG H . 18157 1 501 . 1 1 116 116 ARG C C 13 179.222 0.015 . 1 . . . . 116 ARG C . 18157 1 502 . 1 1 116 116 ARG CA C 13 57.919 0.059 . 1 . . . . 116 ARG CA . 18157 1 503 . 1 1 116 116 ARG CB C 13 29.268 0.023 . 1 . . . . 116 ARG CB . 18157 1 504 . 1 1 116 116 ARG N N 15 119.081 0.027 . 1 . . . . 116 ARG N . 18157 1 505 . 1 1 117 117 SER H H 1 7.788 0.025 . 1 . . . . 117 SER H . 18157 1 506 . 1 1 117 117 SER C C 13 175.614 0.000 . 1 . . . . 117 SER C . 18157 1 507 . 1 1 117 117 SER CA C 13 60.719 0.009 . 1 . . . . 117 SER CA . 18157 1 508 . 1 1 117 117 SER CB C 13 63.133 0.009 . 1 . . . . 117 SER CB . 18157 1 509 . 1 1 117 117 SER N N 15 113.573 0.031 . 1 . . . . 117 SER N . 18157 1 510 . 1 1 118 118 GLN H H 1 7.587 0.032 . 1 . . . . 118 GLN H . 18157 1 511 . 1 1 118 118 GLN C C 13 176.785 0.003 . 1 . . . . 118 GLN C . 18157 1 512 . 1 1 118 118 GLN CA C 13 56.736 0.008 . 1 . . . . 118 GLN CA . 18157 1 513 . 1 1 118 118 GLN CB C 13 28.958 0.048 . 1 . . . . 118 GLN CB . 18157 1 514 . 1 1 118 118 GLN N N 15 119.902 0.024 . 1 . . . . 118 GLN N . 18157 1 515 . 1 1 119 119 GLU H H 1 7.750 0.032 . 1 . . . . 119 GLU H . 18157 1 516 . 1 1 119 119 GLU C C 13 176.146 0.005 . 1 . . . . 119 GLU C . 18157 1 517 . 1 1 119 119 GLU CA C 13 56.685 0.009 . 1 . . . . 119 GLU CA . 18157 1 518 . 1 1 119 119 GLU CB C 13 29.999 0.021 . 1 . . . . 119 GLU CB . 18157 1 519 . 1 1 119 119 GLU N N 15 119.043 0.023 . 1 . . . . 119 GLU N . 18157 1 520 . 1 1 120 120 ALA H H 1 7.881 0.032 . 1 . . . . 120 ALA H . 18157 1 521 . 1 1 120 120 ALA C C 13 176.544 0.006 . 1 . . . . 120 ALA C . 18157 1 522 . 1 1 120 120 ALA CA C 13 52.596 0.003 . 1 . . . . 120 ALA CA . 18157 1 523 . 1 1 120 120 ALA CB C 13 18.930 0.007 . 1 . . . . 120 ALA CB . 18157 1 524 . 1 1 120 120 ALA N N 15 124.024 0.016 . 1 . . . . 120 ALA N . 18157 1 525 . 1 1 121 121 LYS H H 1 7.793 0.029 . 1 . . . . 121 LYS H . 18157 1 526 . 1 1 121 121 LYS C C 13 181.311 0.000 . 1 . . . . 121 LYS C . 18157 1 527 . 1 1 121 121 LYS CA C 13 57.544 0.000 . 1 . . . . 121 LYS CA . 18157 1 528 . 1 1 121 121 LYS CB C 13 33.677 0.000 . 1 . . . . 121 LYS CB . 18157 1 529 . 1 1 121 121 LYS N N 15 125.663 0.025 . 1 . . . . 121 LYS N . 18157 1 stop_ save_