################################### # 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 26754 _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' . . . 26754 1 2 '3D HNCO' . . . 26754 1 3 '3D HNCACB' . . . 26754 1 4 '3D HNCA' . . . 26754 1 5 '3D CBCA(CO)NH' . . . 26754 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 3 3 SER C C 13 174.494 0.000 . 1 . . . . 3 SER C . 26754 1 2 . 1 1 3 3 SER CA C 13 58.221 0.038 . 1 . . . . 3 SER CA . 26754 1 3 . 1 1 3 3 SER CB C 13 63.824 0.042 . 1 . . . . 3 SER CB . 26754 1 4 . 1 1 4 4 VAL H H 1 8.133 0.003 . 1 . . . . 4 VAL H . 26754 1 5 . 1 1 4 4 VAL C C 13 175.721 0.000 . 1 . . . . 4 VAL C . 26754 1 6 . 1 1 4 4 VAL CA C 13 62.281 0.010 . 1 . . . . 4 VAL CA . 26754 1 7 . 1 1 4 4 VAL CB C 13 32.405 0.073 . 1 . . . . 4 VAL CB . 26754 1 8 . 1 1 4 4 VAL N N 15 121.025 0.051 . 1 . . . . 4 VAL N . 26754 1 9 . 1 1 5 5 ASN H H 1 8.289 0.003 . 1 . . . . 5 ASN H . 26754 1 10 . 1 1 5 5 ASN C C 13 174.615 0.000 . 1 . . . . 5 ASN C . 26754 1 11 . 1 1 5 5 ASN CA C 13 52.962 0.050 . 1 . . . . 5 ASN CA . 26754 1 12 . 1 1 5 5 ASN CB C 13 39.101 0.071 . 1 . . . . 5 ASN CB . 26754 1 13 . 1 1 5 5 ASN N N 15 121.361 0.011 . 1 . . . . 5 ASN N . 26754 1 14 . 1 1 6 6 LYS H H 1 8.190 0.003 . 1 . . . . 6 LYS H . 26754 1 15 . 1 1 6 6 LYS C C 13 176.005 0.000 . 1 . . . . 6 LYS C . 26754 1 16 . 1 1 6 6 LYS CA C 13 56.095 0.042 . 1 . . . . 6 LYS CA . 26754 1 17 . 1 1 6 6 LYS CB C 13 32.601 0.022 . 1 . . . . 6 LYS CB . 26754 1 18 . 1 1 6 6 LYS N N 15 121.940 0.038 . 1 . . . . 6 LYS N . 26754 1 19 . 1 1 7 7 VAL H H 1 8.048 0.002 . 1 . . . . 7 VAL H . 26754 1 20 . 1 1 7 7 VAL C C 13 174.814 0.000 . 1 . . . . 7 VAL C . 26754 1 21 . 1 1 7 7 VAL CA C 13 62.429 0.063 . 1 . . . . 7 VAL CA . 26754 1 22 . 1 1 7 7 VAL CB C 13 32.596 0.019 . 1 . . . . 7 VAL CB . 26754 1 23 . 1 1 7 7 VAL N N 15 124.058 0.051 . 1 . . . . 7 VAL N . 26754 1 24 . 1 1 8 8 THR H H 1 7.925 0.004 . 1 . . . . 8 THR H . 26754 1 25 . 1 1 8 8 THR C C 13 172.794 0.000 . 1 . . . . 8 THR C . 26754 1 26 . 1 1 8 8 THR CA C 13 59.622 0.050 . 1 . . . . 8 THR CA . 26754 1 27 . 1 1 8 8 THR CB C 13 71.386 0.060 . 1 . . . . 8 THR CB . 26754 1 28 . 1 1 8 8 THR N N 15 116.190 0.069 . 1 . . . . 8 THR N . 26754 1 29 . 1 1 9 9 CYS H H 1 7.958 0.004 . 1 . . . . 9 CYS H . 26754 1 30 . 1 1 9 9 CYS C C 13 177.693 0.000 . 1 . . . . 9 CYS C . 26754 1 31 . 1 1 9 9 CYS CA C 13 58.672 0.087 . 1 . . . . 9 CYS CA . 26754 1 32 . 1 1 9 9 CYS CB C 13 31.357 0.017 . 1 . . . . 9 CYS CB . 26754 1 33 . 1 1 9 9 CYS N N 15 124.150 0.064 . 1 . . . . 9 CYS N . 26754 1 34 . 1 1 10 10 LEU H H 1 9.132 0.002 . 1 . . . . 10 LEU H . 26754 1 35 . 1 1 10 10 LEU C C 13 176.214 0.000 . 1 . . . . 10 LEU C . 26754 1 36 . 1 1 10 10 LEU CA C 13 57.885 0.040 . 1 . . . . 10 LEU CA . 26754 1 37 . 1 1 10 10 LEU CB C 13 41.887 0.069 . 1 . . . . 10 LEU CB . 26754 1 38 . 1 1 10 10 LEU N N 15 130.540 0.080 . 1 . . . . 10 LEU N . 26754 1 39 . 1 1 11 11 VAL H H 1 8.946 0.002 . 1 . . . . 11 VAL H . 26754 1 40 . 1 1 11 11 VAL C C 13 176.875 0.000 . 1 . . . . 11 VAL C . 26754 1 41 . 1 1 11 11 VAL CA C 13 65.429 0.017 . 1 . . . . 11 VAL CA . 26754 1 42 . 1 1 11 11 VAL CB C 13 33.152 0.013 . 1 . . . . 11 VAL CB . 26754 1 43 . 1 1 11 11 VAL N N 15 123.308 0.032 . 1 . . . . 11 VAL N . 26754 1 44 . 1 1 12 12 CYS H H 1 8.207 0.003 . 1 . . . . 12 CYS H . 26754 1 45 . 1 1 12 12 CYS C C 13 175.745 0.000 . 1 . . . . 12 CYS C . 26754 1 46 . 1 1 12 12 CYS CA C 13 59.302 0.048 . 1 . . . . 12 CYS CA . 26754 1 47 . 1 1 12 12 CYS CB C 13 30.773 0.029 . 1 . . . . 12 CYS CB . 26754 1 48 . 1 1 12 12 CYS N N 15 117.703 0.066 . 1 . . . . 12 CYS N . 26754 1 49 . 1 1 13 13 ARG H H 1 7.825 0.003 . 1 . . . . 13 ARG H . 26754 1 50 . 1 1 13 13 ARG C C 13 175.027 0.000 . 1 . . . . 13 ARG C . 26754 1 51 . 1 1 13 13 ARG CA C 13 57.309 0.057 . 1 . . . . 13 ARG CA . 26754 1 52 . 1 1 13 13 ARG CB C 13 26.128 0.074 . 1 . . . . 13 ARG CB . 26754 1 53 . 1 1 13 13 ARG N N 15 115.668 0.053 . 1 . . . . 13 ARG N . 26754 1 54 . 1 1 14 14 LYS H H 1 8.243 0.003 . 1 . . . . 14 LYS H . 26754 1 55 . 1 1 14 14 LYS C C 13 177.287 0.000 . 1 . . . . 14 LYS C . 26754 1 56 . 1 1 14 14 LYS CA C 13 55.609 0.088 . 1 . . . . 14 LYS CA . 26754 1 57 . 1 1 14 14 LYS CB C 13 35.538 0.000 . 1 . . . . 14 LYS CB . 26754 1 58 . 1 1 14 14 LYS N N 15 118.900 0.040 . 1 . . . . 14 LYS N . 26754 1 59 . 1 1 15 15 GLY H H 1 8.849 0.002 . 1 . . . . 15 GLY H . 26754 1 60 . 1 1 15 15 GLY C C 13 173.643 0.000 . 1 . . . . 15 GLY C . 26754 1 61 . 1 1 15 15 GLY CA C 13 44.936 0.085 . 1 . . . . 15 GLY CA . 26754 1 62 . 1 1 15 15 GLY N N 15 110.644 0.030 . 1 . . . . 15 GLY N . 26754 1 63 . 1 1 16 16 ASP H H 1 7.692 0.002 . 1 . . . . 16 ASP H . 26754 1 64 . 1 1 16 16 ASP C C 13 174.916 0.000 . 1 . . . . 16 ASP C . 26754 1 65 . 1 1 16 16 ASP CA C 13 52.598 0.050 . 1 . . . . 16 ASP CA . 26754 1 66 . 1 1 16 16 ASP CB C 13 41.187 0.063 . 1 . . . . 16 ASP CB . 26754 1 67 . 1 1 16 16 ASP N N 15 117.699 0.025 . 1 . . . . 16 ASP N . 26754 1 68 . 1 1 17 17 ASN H H 1 8.978 0.003 . 1 . . . . 17 ASN H . 26754 1 69 . 1 1 17 17 ASN C C 13 176.524 0.000 . 1 . . . . 17 ASN C . 26754 1 70 . 1 1 17 17 ASN CA C 13 53.773 0.074 . 1 . . . . 17 ASN CA . 26754 1 71 . 1 1 17 17 ASN CB C 13 38.050 0.037 . 1 . . . . 17 ASN CB . 26754 1 72 . 1 1 17 17 ASN N N 15 117.104 0.015 . 1 . . . . 17 ASN N . 26754 1 73 . 1 1 18 18 ASP H H 1 8.341 0.002 . 1 . . . . 18 ASP H . 26754 1 74 . 1 1 18 18 ASP C C 13 177.895 0.000 . 1 . . . . 18 ASP C . 26754 1 75 . 1 1 18 18 ASP CA C 13 56.929 0.036 . 1 . . . . 18 ASP CA . 26754 1 76 . 1 1 18 18 ASP CB C 13 40.437 0.000 . 1 . . . . 18 ASP CB . 26754 1 77 . 1 1 18 18 ASP N N 15 116.042 0.055 . 1 . . . . 18 ASP N . 26754 1 78 . 1 1 19 19 GLU H H 1 9.385 0.004 . 1 . . . . 19 GLU H . 26754 1 79 . 1 1 19 19 GLU C C 13 176.738 0.000 . 1 . . . . 19 GLU C . 26754 1 80 . 1 1 19 19 GLU CA C 13 58.154 0.035 . 1 . . . . 19 GLU CA . 26754 1 81 . 1 1 19 19 GLU CB C 13 28.198 0.037 . 1 . . . . 19 GLU CB . 26754 1 82 . 1 1 19 19 GLU N N 15 120.782 0.041 . 1 . . . . 19 GLU N . 26754 1 83 . 1 1 20 20 PHE H H 1 8.224 0.003 . 1 . . . . 20 PHE H . 26754 1 84 . 1 1 20 20 PHE C C 13 174.124 0.000 . 1 . . . . 20 PHE C . 26754 1 85 . 1 1 20 20 PHE CA C 13 56.521 0.078 . 1 . . . . 20 PHE CA . 26754 1 86 . 1 1 20 20 PHE CB C 13 39.784 0.015 . 1 . . . . 20 PHE CB . 26754 1 87 . 1 1 20 20 PHE N N 15 117.261 0.059 . 1 . . . . 20 PHE N . 26754 1 88 . 1 1 21 21 LEU H H 1 7.344 0.002 . 1 . . . . 21 LEU H . 26754 1 89 . 1 1 21 21 LEU C C 13 174.856 0.000 . 1 . . . . 21 LEU C . 26754 1 90 . 1 1 21 21 LEU CA C 13 55.039 0.084 . 1 . . . . 21 LEU CA . 26754 1 91 . 1 1 21 21 LEU CB C 13 43.210 0.019 . 1 . . . . 21 LEU CB . 26754 1 92 . 1 1 21 21 LEU N N 15 122.728 0.054 . 1 . . . . 21 LEU N . 26754 1 93 . 1 1 22 22 LEU H H 1 8.019 0.003 . 1 . . . . 22 LEU H . 26754 1 94 . 1 1 22 22 LEU C C 13 175.440 0.000 . 1 . . . . 22 LEU C . 26754 1 95 . 1 1 22 22 LEU CA C 13 54.430 0.023 . 1 . . . . 22 LEU CA . 26754 1 96 . 1 1 22 22 LEU CB C 13 41.406 0.030 . 1 . . . . 22 LEU CB . 26754 1 97 . 1 1 22 22 LEU N N 15 126.332 0.051 . 1 . . . . 22 LEU N . 26754 1 98 . 1 1 23 23 LEU H H 1 8.065 0.004 . 1 . . . . 23 LEU H . 26754 1 99 . 1 1 23 23 LEU C C 13 175.816 0.000 . 1 . . . . 23 LEU C . 26754 1 100 . 1 1 23 23 LEU CA C 13 53.323 0.084 . 1 . . . . 23 LEU CA . 26754 1 101 . 1 1 23 23 LEU CB C 13 42.572 0.027 . 1 . . . . 23 LEU CB . 26754 1 102 . 1 1 23 23 LEU N N 15 122.315 0.002 . 1 . . . . 23 LEU N . 26754 1 103 . 1 1 24 24 CYS H H 1 8.564 0.003 . 1 . . . . 24 CYS H . 26754 1 104 . 1 1 24 24 CYS C C 13 176.592 0.000 . 1 . . . . 24 CYS C . 26754 1 105 . 1 1 24 24 CYS CA C 13 60.313 0.063 . 1 . . . . 24 CYS CA . 26754 1 106 . 1 1 24 24 CYS CB C 13 30.197 0.050 . 1 . . . . 24 CYS CB . 26754 1 107 . 1 1 24 24 CYS N N 15 127.057 0.050 . 1 . . . . 24 CYS N . 26754 1 108 . 1 1 25 25 ASP H H 1 8.607 0.004 . 1 . . . . 25 ASP H . 26754 1 109 . 1 1 25 25 ASP C C 13 176.590 0.000 . 1 . . . . 25 ASP C . 26754 1 110 . 1 1 25 25 ASP CA C 13 56.917 0.033 . 1 . . . . 25 ASP CA . 26754 1 111 . 1 1 25 25 ASP CB C 13 41.622 0.060 . 1 . . . . 25 ASP CB . 26754 1 112 . 1 1 25 25 ASP N N 15 127.579 0.060 . 1 . . . . 25 ASP N . 26754 1 113 . 1 1 26 26 GLY H H 1 10.205 0.004 . 1 . . . . 26 GLY H . 26754 1 114 . 1 1 26 26 GLY C C 13 173.906 0.000 . 1 . . . . 26 GLY C . 26754 1 115 . 1 1 26 26 GLY CA C 13 45.673 0.059 . 1 . . . . 26 GLY CA . 26754 1 116 . 1 1 26 26 GLY N N 15 114.176 0.041 . 1 . . . . 26 GLY N . 26754 1 117 . 1 1 27 27 CYS H H 1 7.674 0.003 . 1 . . . . 27 CYS H . 26754 1 118 . 1 1 27 27 CYS C C 13 173.765 0.000 . 1 . . . . 27 CYS C . 26754 1 119 . 1 1 27 27 CYS CA C 13 58.630 0.098 . 1 . . . . 27 CYS CA . 26754 1 120 . 1 1 27 27 CYS CB C 13 31.010 0.029 . 1 . . . . 27 CYS CB . 26754 1 121 . 1 1 27 27 CYS N N 15 121.726 0.025 . 1 . . . . 27 CYS N . 26754 1 122 . 1 1 28 28 ASP H H 1 7.899 0.004 . 1 . . . . 28 ASP H . 26754 1 123 . 1 1 28 28 ASP C C 13 176.165 0.000 . 1 . . . . 28 ASP C . 26754 1 124 . 1 1 28 28 ASP CA C 13 54.764 0.047 . 1 . . . . 28 ASP CA . 26754 1 125 . 1 1 28 28 ASP CB C 13 40.434 0.007 . 1 . . . . 28 ASP CB . 26754 1 126 . 1 1 28 28 ASP N N 15 117.126 0.053 . 1 . . . . 28 ASP N . 26754 1 127 . 1 1 29 29 ARG H H 1 8.889 0.004 . 1 . . . . 29 ARG H . 26754 1 128 . 1 1 29 29 ARG C C 13 175.865 0.000 . 1 . . . . 29 ARG C . 26754 1 129 . 1 1 29 29 ARG CA C 13 57.255 0.018 . 1 . . . . 29 ARG CA . 26754 1 130 . 1 1 29 29 ARG CB C 13 32.165 0.020 . 1 . . . . 29 ARG CB . 26754 1 131 . 1 1 29 29 ARG N N 15 121.273 0.016 . 1 . . . . 29 ARG N . 26754 1 132 . 1 1 30 30 GLY H H 1 7.900 0.004 . 1 . . . . 30 GLY H . 26754 1 133 . 1 1 30 30 GLY C C 13 172.980 0.000 . 1 . . . . 30 GLY C . 26754 1 134 . 1 1 30 30 GLY CA C 13 44.741 0.030 . 1 . . . . 30 GLY CA . 26754 1 135 . 1 1 30 30 GLY N N 15 105.496 0.053 . 1 . . . . 30 GLY N . 26754 1 136 . 1 1 31 31 CYS H H 1 8.505 0.012 . 1 . . . . 31 CYS H . 26754 1 137 . 1 1 31 31 CYS C C 13 174.743 0.000 . 1 . . . . 31 CYS C . 26754 1 138 . 1 1 31 31 CYS CA C 13 57.295 0.069 . 1 . . . . 31 CYS CA . 26754 1 139 . 1 1 31 31 CYS CB C 13 30.580 0.052 . 1 . . . . 31 CYS CB . 26754 1 140 . 1 1 31 31 CYS N N 15 118.390 0.113 . 1 . . . . 31 CYS N . 26754 1 141 . 1 1 32 32 HIS H H 1 9.663 0.003 . 1 . . . . 32 HIS H . 26754 1 142 . 1 1 32 32 HIS C C 13 179.898 0.000 . 1 . . . . 32 HIS C . 26754 1 143 . 1 1 32 32 HIS CA C 13 59.561 0.045 . 1 . . . . 32 HIS CA . 26754 1 144 . 1 1 32 32 HIS CB C 13 30.349 0.043 . 1 . . . . 32 HIS CB . 26754 1 145 . 1 1 32 32 HIS N N 15 130.456 0.085 . 1 . . . . 32 HIS N . 26754 1 146 . 1 1 33 33 ILE H H 1 8.881 0.003 . 1 . . . . 33 ILE H . 26754 1 147 . 1 1 33 33 ILE C C 13 175.747 0.000 . 1 . . . . 33 ILE C . 26754 1 148 . 1 1 33 33 ILE CA C 13 66.196 0.086 . 1 . . . . 33 ILE CA . 26754 1 149 . 1 1 33 33 ILE CB C 13 36.929 0.042 . 1 . . . . 33 ILE CB . 26754 1 150 . 1 1 33 33 ILE N N 15 118.610 0.048 . 1 . . . . 33 ILE N . 26754 1 151 . 1 1 34 34 TYR H H 1 6.035 0.004 . 1 . . . . 34 TYR H . 26754 1 152 . 1 1 34 34 TYR C C 13 176.542 0.000 . 1 . . . . 34 TYR C . 26754 1 153 . 1 1 34 34 TYR CA C 13 56.019 0.052 . 1 . . . . 34 TYR CA . 26754 1 154 . 1 1 34 34 TYR CB C 13 36.522 0.049 . 1 . . . . 34 TYR CB . 26754 1 155 . 1 1 34 34 TYR N N 15 111.485 0.062 . 1 . . . . 34 TYR N . 26754 1 156 . 1 1 35 35 CYS H H 1 7.060 0.003 . 1 . . . . 35 CYS H . 26754 1 157 . 1 1 35 35 CYS C C 13 174.288 0.000 . 1 . . . . 35 CYS C . 26754 1 158 . 1 1 35 35 CYS CA C 13 61.063 0.078 . 1 . . . . 35 CYS CA . 26754 1 159 . 1 1 35 35 CYS CB C 13 31.471 0.100 . 1 . . . . 35 CYS CB . 26754 1 160 . 1 1 35 35 CYS N N 15 122.863 0.062 . 1 . . . . 35 CYS N . 26754 1 161 . 1 1 36 36 HIS H H 1 6.808 0.003 . 1 . . . . 36 HIS H . 26754 1 162 . 1 1 36 36 HIS C C 13 173.320 0.000 . 1 . . . . 36 HIS C . 26754 1 163 . 1 1 36 36 HIS CA C 13 58.994 0.079 . 1 . . . . 36 HIS CA . 26754 1 164 . 1 1 36 36 HIS CB C 13 29.773 0.000 . 1 . . . . 36 HIS CB . 26754 1 165 . 1 1 36 36 HIS N N 15 119.502 0.053 . 1 . . . . 36 HIS N . 26754 1 166 . 1 1 37 37 ARG H H 1 7.246 0.006 . 1 . . . . 37 ARG H . 26754 1 167 . 1 1 37 37 ARG CA C 13 52.436 0.055 . 1 . . . . 37 ARG CA . 26754 1 168 . 1 1 37 37 ARG CB C 13 31.280 0.000 . 1 . . . . 37 ARG CB . 26754 1 169 . 1 1 37 37 ARG N N 15 123.932 0.042 . 1 . . . . 37 ARG N . 26754 1 170 . 1 1 38 38 PRO C C 13 176.187 0.000 . 1 . . . . 38 PRO C . 26754 1 171 . 1 1 38 38 PRO CA C 13 63.001 0.067 . 1 . . . . 38 PRO CA . 26754 1 172 . 1 1 38 38 PRO CB C 13 34.502 0.016 . 1 . . . . 38 PRO CB . 26754 1 173 . 1 1 39 39 LYS H H 1 8.546 0.003 . 1 . . . . 39 LYS H . 26754 1 174 . 1 1 39 39 LYS C C 13 176.708 0.000 . 1 . . . . 39 LYS C . 26754 1 175 . 1 1 39 39 LYS CA C 13 58.126 0.020 . 1 . . . . 39 LYS CA . 26754 1 176 . 1 1 39 39 LYS CB C 13 32.835 0.092 . 1 . . . . 39 LYS CB . 26754 1 177 . 1 1 39 39 LYS N N 15 121.977 0.017 . 1 . . . . 39 LYS N . 26754 1 178 . 1 1 40 40 MET H H 1 8.069 0.003 . 1 . . . . 40 MET H . 26754 1 179 . 1 1 40 40 MET C C 13 175.165 0.000 . 1 . . . . 40 MET C . 26754 1 180 . 1 1 40 40 MET CA C 13 54.559 0.035 . 1 . . . . 40 MET CA . 26754 1 181 . 1 1 40 40 MET CB C 13 35.617 0.000 . 1 . . . . 40 MET CB . 26754 1 182 . 1 1 40 40 MET N N 15 122.579 0.060 . 1 . . . . 40 MET N . 26754 1 183 . 1 1 41 41 GLU H H 1 8.717 0.003 . 1 . . . . 41 GLU H . 26754 1 184 . 1 1 41 41 GLU C C 13 175.381 0.000 . 1 . . . . 41 GLU C . 26754 1 185 . 1 1 41 41 GLU CA C 13 56.756 0.065 . 1 . . . . 41 GLU CA . 26754 1 186 . 1 1 41 41 GLU CB C 13 30.349 0.031 . 1 . . . . 41 GLU CB . 26754 1 187 . 1 1 41 41 GLU N N 15 120.235 0.060 . 1 . . . . 41 GLU N . 26754 1 188 . 1 1 42 42 ALA H H 1 7.386 0.003 . 1 . . . . 42 ALA H . 26754 1 189 . 1 1 42 42 ALA C C 13 175.782 0.000 . 1 . . . . 42 ALA C . 26754 1 190 . 1 1 42 42 ALA CA C 13 50.422 0.021 . 1 . . . . 42 ALA CA . 26754 1 191 . 1 1 42 42 ALA CB C 13 21.730 0.031 . 1 . . . . 42 ALA CB . 26754 1 192 . 1 1 42 42 ALA N N 15 119.402 0.053 . 1 . . . . 42 ALA N . 26754 1 193 . 1 1 43 43 VAL H H 1 8.537 0.003 . 1 . . . . 43 VAL H . 26754 1 194 . 1 1 43 43 VAL CA C 13 60.944 0.082 . 1 . . . . 43 VAL CA . 26754 1 195 . 1 1 43 43 VAL CB C 13 32.041 0.000 . 1 . . . . 43 VAL CB . 26754 1 196 . 1 1 43 43 VAL N N 15 122.221 0.091 . 1 . . . . 43 VAL N . 26754 1 197 . 1 1 44 44 PRO C C 13 176.429 0.000 . 1 . . . . 44 PRO C . 26754 1 198 . 1 1 44 44 PRO CA C 13 62.672 0.026 . 1 . . . . 44 PRO CA . 26754 1 199 . 1 1 44 44 PRO CB C 13 32.076 0.026 . 1 . . . . 44 PRO CB . 26754 1 200 . 1 1 45 45 GLU H H 1 8.459 0.003 . 1 . . . . 45 GLU H . 26754 1 201 . 1 1 45 45 GLU C C 13 177.080 0.000 . 1 . . . . 45 GLU C . 26754 1 202 . 1 1 45 45 GLU CA C 13 56.683 0.026 . 1 . . . . 45 GLU CA . 26754 1 203 . 1 1 45 45 GLU CB C 13 30.144 0.039 . 1 . . . . 45 GLU CB . 26754 1 204 . 1 1 45 45 GLU N N 15 120.669 0.008 . 1 . . . . 45 GLU N . 26754 1 205 . 1 1 46 46 GLY H H 1 8.093 0.002 . 1 . . . . 46 GLY H . 26754 1 206 . 1 1 46 46 GLY C C 13 172.941 0.000 . 1 . . . . 46 GLY C . 26754 1 207 . 1 1 46 46 GLY CA C 13 44.261 0.056 . 1 . . . . 46 GLY CA . 26754 1 208 . 1 1 46 46 GLY N N 15 110.048 0.075 . 1 . . . . 46 GLY N . 26754 1 209 . 1 1 47 47 ASP H H 1 8.133 0.003 . 1 . . . . 47 ASP H . 26754 1 210 . 1 1 47 47 ASP C C 13 175.757 0.000 . 1 . . . . 47 ASP C . 26754 1 211 . 1 1 47 47 ASP CA C 13 54.449 0.055 . 1 . . . . 47 ASP CA . 26754 1 212 . 1 1 47 47 ASP CB C 13 41.625 0.047 . 1 . . . . 47 ASP CB . 26754 1 213 . 1 1 47 47 ASP N N 15 120.591 0.004 . 1 . . . . 47 ASP N . 26754 1 214 . 1 1 48 48 TRP H H 1 9.132 0.003 . 1 . . . . 48 TRP H . 26754 1 215 . 1 1 48 48 TRP C C 13 171.968 0.000 . 1 . . . . 48 TRP C . 26754 1 216 . 1 1 48 48 TRP CA C 13 59.392 0.024 . 1 . . . . 48 TRP CA . 26754 1 217 . 1 1 48 48 TRP CB C 13 30.144 0.041 . 1 . . . . 48 TRP CB . 26754 1 218 . 1 1 48 48 TRP N N 15 124.643 0.042 . 1 . . . . 48 TRP N . 26754 1 219 . 1 1 49 49 PHE H H 1 6.645 0.003 . 1 . . . . 49 PHE H . 26754 1 220 . 1 1 49 49 PHE C C 13 173.763 0.000 . 1 . . . . 49 PHE C . 26754 1 221 . 1 1 49 49 PHE CA C 13 54.672 0.065 . 1 . . . . 49 PHE CA . 26754 1 222 . 1 1 49 49 PHE CB C 13 42.657 0.027 . 1 . . . . 49 PHE CB . 26754 1 223 . 1 1 49 49 PHE N N 15 122.223 0.039 . 1 . . . . 49 PHE N . 26754 1 224 . 1 1 50 50 CYS H H 1 9.110 0.003 . 1 . . . . 50 CYS H . 26754 1 225 . 1 1 50 50 CYS C C 13 174.771 0.000 . 1 . . . . 50 CYS C . 26754 1 226 . 1 1 50 50 CYS CB C 13 31.452 0.078 . 1 . . . . 50 CYS CB . 26754 1 227 . 1 1 50 50 CYS N N 15 123.924 0.049 . 1 . . . . 50 CYS N . 26754 1 228 . 1 1 51 51 THR H H 1 8.005 0.002 . 1 . . . . 51 THR H . 26754 1 229 . 1 1 51 51 THR C C 13 176.592 0.000 . 1 . . . . 51 THR C . 26754 1 230 . 1 1 51 51 THR CA C 13 65.306 0.062 . 1 . . . . 51 THR CA . 26754 1 231 . 1 1 51 51 THR CB C 13 69.080 0.021 . 1 . . . . 51 THR CB . 26754 1 232 . 1 1 51 51 THR N N 15 123.313 0.000 . 1 . . . . 51 THR N . 26754 1 233 . 1 1 52 52 VAL H H 1 8.059 0.003 . 1 . . . . 52 VAL H . 26754 1 234 . 1 1 52 52 VAL C C 13 179.075 0.000 . 1 . . . . 52 VAL C . 26754 1 235 . 1 1 52 52 VAL CA C 13 66.445 0.049 . 1 . . . . 52 VAL CA . 26754 1 236 . 1 1 52 52 VAL CB C 13 31.700 0.025 . 1 . . . . 52 VAL CB . 26754 1 237 . 1 1 52 52 VAL N N 15 125.077 0.049 . 1 . . . . 52 VAL N . 26754 1 238 . 1 1 53 53 CYS H H 1 8.529 0.003 . 1 . . . . 53 CYS H . 26754 1 239 . 1 1 53 53 CYS C C 13 179.308 0.000 . 1 . . . . 53 CYS C . 26754 1 240 . 1 1 53 53 CYS CA C 13 65.741 0.051 . 1 . . . . 53 CYS CA . 26754 1 241 . 1 1 53 53 CYS CB C 13 28.342 0.076 . 1 . . . . 53 CYS CB . 26754 1 242 . 1 1 53 53 CYS N N 15 125.286 0.015 . 1 . . . . 53 CYS N . 26754 1 243 . 1 1 54 54 LEU H H 1 9.134 0.000 . 1 . . . . 54 LEU H . 26754 1 244 . 1 1 54 54 LEU C C 13 178.619 0.000 . 1 . . . . 54 LEU C . 26754 1 245 . 1 1 54 54 LEU CA C 13 56.957 0.042 . 1 . . . . 54 LEU CA . 26754 1 246 . 1 1 54 54 LEU CB C 13 41.962 0.043 . 1 . . . . 54 LEU CB . 26754 1 247 . 1 1 54 54 LEU N N 15 118.718 0.038 . 1 . . . . 54 LEU N . 26754 1 248 . 1 1 55 55 ALA H H 1 7.262 0.002 . 1 . . . . 55 ALA H . 26754 1 249 . 1 1 55 55 ALA C C 13 178.155 0.000 . 1 . . . . 55 ALA C . 26754 1 250 . 1 1 55 55 ALA CA C 13 53.347 0.062 . 1 . . . . 55 ALA CA . 26754 1 251 . 1 1 55 55 ALA CB C 13 18.109 0.067 . 1 . . . . 55 ALA CB . 26754 1 252 . 1 1 55 55 ALA N N 15 120.301 0.046 . 1 . . . . 55 ALA N . 26754 1 253 . 1 1 56 56 GLN H H 1 7.410 0.002 . 1 . . . . 56 GLN H . 26754 1 254 . 1 1 56 56 GLN C C 13 175.957 0.000 . 1 . . . . 56 GLN C . 26754 1 255 . 1 1 56 56 GLN CA C 13 55.604 0.079 . 1 . . . . 56 GLN CA . 26754 1 256 . 1 1 56 56 GLN CB C 13 29.078 0.078 . 1 . . . . 56 GLN CB . 26754 1 257 . 1 1 56 56 GLN N N 15 115.631 0.036 . 1 . . . . 56 GLN N . 26754 1 258 . 1 1 57 57 GLN H H 1 7.641 0.002 . 1 . . . . 57 GLN H . 26754 1 259 . 1 1 57 57 GLN C C 13 175.009 0.000 . 1 . . . . 57 GLN C . 26754 1 260 . 1 1 57 57 GLN CA C 13 55.760 0.038 . 1 . . . . 57 GLN CA . 26754 1 261 . 1 1 57 57 GLN CB C 13 28.732 0.003 . 1 . . . . 57 GLN CB . 26754 1 262 . 1 1 57 57 GLN N N 15 120.447 0.042 . 1 . . . . 57 GLN N . 26754 1 263 . 1 1 58 58 VAL H H 1 7.484 0.002 . 1 . . . . 58 VAL H . 26754 1 264 . 1 1 58 58 VAL CA C 13 63.574 0.009 . 1 . . . . 58 VAL CA . 26754 1 265 . 1 1 58 58 VAL CB C 13 32.905 0.000 . 1 . . . . 58 VAL CB . 26754 1 266 . 1 1 58 58 VAL N N 15 124.597 0.041 . 1 . . . . 58 VAL N . 26754 1 stop_ save_