################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 50873 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'CREB 285-339 dimer with CRE DNA' _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-13C HMQC' . . . 50873 1 2 '2D 1H-15N HSQC' . . . 50873 1 3 '3D CBCA(CO)NH' . . . 50873 1 4 '3D HNCO' . . . 50873 1 5 '3D HNCA' . . . 50873 1 6 '3D HN(CA)CO' . . . 50873 1 7 '3D HBHA(CBCACO)NH' . . . 50873 1 8 '3D HCCH-TOCSY' . . . 50873 1 9 '3D HNCA' . . . 50873 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 3 $software_3 . . 50873 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 2 2 LYS C C 13 178.556 0.000 . 1 . . . . . 285 LYS C . 50873 1 2 . 1 . 1 2 2 LYS CA C 13 59.295 0.000 . 1 . . . . . 285 LYS CA . 50873 1 3 . 1 . 1 2 2 LYS CB C 13 32.750 0.000 . 1 . . . . . 285 LYS CB . 50873 1 4 . 1 . 1 3 3 ARG H H 1 8.853 0.019 . 1 . . . . . 286 ARG H . 50873 1 5 . 1 . 1 3 3 ARG HA H 1 3.776 0.000 . 1 . . . . . 286 ARG HA . 50873 1 6 . 1 . 1 3 3 ARG HB2 H 1 2.156 0.000 . 1 . . . . . 286 ARG HB2 . 50873 1 7 . 1 . 1 3 3 ARG HG2 H 1 1.791 0.000 . 1 . . . . . 286 ARG HG2 . 50873 1 8 . 1 . 1 3 3 ARG HD2 H 1 3.488 0.000 . 1 . . . . . 286 ARG HD2 . 50873 1 9 . 1 . 1 3 3 ARG C C 13 177.499 0.000 . 1 . . . . . 286 ARG C . 50873 1 10 . 1 . 1 3 3 ARG CA C 13 59.283 0.001 . 1 . . . . . 286 ARG CA . 50873 1 11 . 1 . 1 3 3 ARG CB C 13 29.917 0.017 . 1 . . . . . 286 ARG CB . 50873 1 12 . 1 . 1 3 3 ARG CG C 13 27.216 0.000 . 1 . . . . . 286 ARG CG . 50873 1 13 . 1 . 1 3 3 ARG CD C 13 43.776 0.000 . 1 . . . . . 286 ARG CD . 50873 1 14 . 1 . 1 3 3 ARG N N 15 121.365 0.021 . 1 . . . . . 286 ARG N . 50873 1 15 . 1 . 1 4 4 GLU H H 1 8.418 0.007 . 1 . . . . . 287 GLU H . 50873 1 16 . 1 . 1 4 4 GLU HA H 1 3.967 0.000 . 1 . . . . . 287 GLU HA . 50873 1 17 . 1 . 1 4 4 GLU HB2 H 1 1.838 0.000 . 2 . . . . . 287 GLU HB2 . 50873 1 18 . 1 . 1 4 4 GLU HB3 H 1 1.876 0.000 . 2 . . . . . 287 GLU HB3 . 50873 1 19 . 1 . 1 4 4 GLU C C 13 179.240 0.000 . 1 . . . . . 287 GLU C . 50873 1 20 . 1 . 1 4 4 GLU CA C 13 61.100 0.028 . 1 . . . . . 287 GLU CA . 50873 1 21 . 1 . 1 4 4 GLU CB C 13 28.732 0.000 . 1 . . . . . 287 GLU CB . 50873 1 22 . 1 . 1 4 4 GLU N N 15 118.543 0.067 . 1 . . . . . 287 GLU N . 50873 1 23 . 1 . 1 5 5 VAL H H 1 7.903 0.005 . 1 . . . . . 288 VAL H . 50873 1 24 . 1 . 1 5 5 VAL HA H 1 3.847 0.040 . 1 . . . . . 288 VAL HA . 50873 1 25 . 1 . 1 5 5 VAL HB H 1 2.133 0.004 . 1 . . . . . 288 VAL HB . 50873 1 26 . 1 . 1 5 5 VAL HG11 H 1 1.137 0.043 . 2 . . . . . 288 VAL HG11 . 50873 1 27 . 1 . 1 5 5 VAL HG12 H 1 1.137 0.043 . 2 . . . . . 288 VAL HG12 . 50873 1 28 . 1 . 1 5 5 VAL HG13 H 1 1.137 0.043 . 2 . . . . . 288 VAL HG13 . 50873 1 29 . 1 . 1 5 5 VAL HG21 H 1 1.060 0.043 . 2 . . . . . 288 VAL HG21 . 50873 1 30 . 1 . 1 5 5 VAL HG22 H 1 1.060 0.043 . 2 . . . . . 288 VAL HG22 . 50873 1 31 . 1 . 1 5 5 VAL HG23 H 1 1.060 0.043 . 2 . . . . . 288 VAL HG23 . 50873 1 32 . 1 . 1 5 5 VAL C C 13 177.661 0.000 . 1 . . . . . 288 VAL C . 50873 1 33 . 1 . 1 5 5 VAL CA C 13 66.373 0.059 . 1 . . . . . 288 VAL CA . 50873 1 34 . 1 . 1 5 5 VAL CB C 13 31.892 0.029 . 1 . . . . . 288 VAL CB . 50873 1 35 . 1 . 1 5 5 VAL CG1 C 13 22.491 0.016 . 2 . . . . . 288 VAL CG1 . 50873 1 36 . 1 . 1 5 5 VAL CG2 C 13 21.173 0.004 . 2 . . . . . 288 VAL CG2 . 50873 1 37 . 1 . 1 5 5 VAL N N 15 120.618 0.035 . 1 . . . . . 288 VAL N . 50873 1 38 . 1 . 1 6 6 ARG H H 1 7.934 0.022 . 1 . . . . . 289 ARG H . 50873 1 39 . 1 . 1 6 6 ARG HB2 H 1 2.010 0.000 . 1 . . . . . 289 ARG HB2 . 50873 1 40 . 1 . 1 6 6 ARG C C 13 179.135 0.000 . 1 . . . . . 289 ARG C . 50873 1 41 . 1 . 1 6 6 ARG CA C 13 59.456 0.005 . 1 . . . . . 289 ARG CA . 50873 1 42 . 1 . 1 6 6 ARG CB C 13 29.784 0.102 . 1 . . . . . 289 ARG CB . 50873 1 43 . 1 . 1 6 6 ARG N N 15 121.100 0.053 . 1 . . . . . 289 ARG N . 50873 1 44 . 1 . 1 7 7 LEU H H 1 8.466 0.005 . 1 . . . . . 290 LEU H . 50873 1 45 . 1 . 1 7 7 LEU HA H 1 4.338 0.000 . 1 . . . . . 290 LEU HA . 50873 1 46 . 1 . 1 7 7 LEU HB2 H 1 2.004 0.000 . 2 . . . . . 290 LEU HB2 . 50873 1 47 . 1 . 1 7 7 LEU HB3 H 1 1.915 0.047 . 2 . . . . . 290 LEU HB3 . 50873 1 48 . 1 . 1 7 7 LEU HD11 H 1 1.093 0.043 . 2 . . . . . 290 LEU HD11 . 50873 1 49 . 1 . 1 7 7 LEU HD12 H 1 1.093 0.043 . 2 . . . . . 290 LEU HD12 . 50873 1 50 . 1 . 1 7 7 LEU HD13 H 1 1.093 0.043 . 2 . . . . . 290 LEU HD13 . 50873 1 51 . 1 . 1 7 7 LEU HD21 H 1 1.013 0.045 . 2 . . . . . 290 LEU HD21 . 50873 1 52 . 1 . 1 7 7 LEU HD22 H 1 1.013 0.045 . 2 . . . . . 290 LEU HD22 . 50873 1 53 . 1 . 1 7 7 LEU HD23 H 1 1.013 0.045 . 2 . . . . . 290 LEU HD23 . 50873 1 54 . 1 . 1 7 7 LEU C C 13 174.243 0.000 . 1 . . . . . 290 LEU C . 50873 1 55 . 1 . 1 7 7 LEU CA C 13 58.318 0.010 . 1 . . . . . 290 LEU CA . 50873 1 56 . 1 . 1 7 7 LEU CB C 13 42.021 0.071 . 1 . . . . . 290 LEU CB . 50873 1 57 . 1 . 1 7 7 LEU CD1 C 13 23.317 0.035 . 2 . . . . . 290 LEU CD1 . 50873 1 58 . 1 . 1 7 7 LEU CD2 C 13 25.533 0.014 . 2 . . . . . 290 LEU CD2 . 50873 1 59 . 1 . 1 7 7 LEU N N 15 119.420 0.040 . 1 . . . . . 290 LEU N . 50873 1 60 . 1 . 1 8 8 MET H H 1 8.079 0.020 . 1 . . . . . 291 MET H . 50873 1 61 . 1 . 1 8 8 MET C C 13 178.426 0.000 . 1 . . . . . 291 MET C . 50873 1 62 . 1 . 1 8 8 MET CA C 13 59.029 0.000 . 1 . . . . . 291 MET CA . 50873 1 63 . 1 . 1 8 8 MET CB C 13 32.287 0.000 . 1 . . . . . 291 MET CB . 50873 1 64 . 1 . 1 8 8 MET N N 15 120.802 0.023 . 1 . . . . . 291 MET N . 50873 1 65 . 1 . 1 9 9 LYS H H 1 8.542 0.011 . 1 . . . . . 292 LYS H . 50873 1 66 . 1 . 1 9 9 LYS C C 13 180.332 0.000 . 1 . . . . . 292 LYS C . 50873 1 67 . 1 . 1 9 9 LYS CA C 13 59.251 0.063 . 1 . . . . . 292 LYS CA . 50873 1 68 . 1 . 1 9 9 LYS CB C 13 31.842 0.000 . 1 . . . . . 292 LYS CB . 50873 1 69 . 1 . 1 9 9 LYS N N 15 119.499 0.070 . 1 . . . . . 292 LYS N . 50873 1 70 . 1 . 1 10 10 ASN H H 1 8.741 0.006 . 1 . . . . . 293 ASN H . 50873 1 71 . 1 . 1 10 10 ASN HA H 1 4.112 0.000 . 1 . . . . . 293 ASN HA . 50873 1 72 . 1 . 1 10 10 ASN C C 13 176.933 0.000 . 1 . . . . . 293 ASN C . 50873 1 73 . 1 . 1 10 10 ASN CA C 13 57.274 0.033 . 1 . . . . . 293 ASN CA . 50873 1 74 . 1 . 1 10 10 ASN CB C 13 39.495 0.000 . 1 . . . . . 293 ASN CB . 50873 1 75 . 1 . 1 10 10 ASN N N 15 118.822 0.052 . 1 . . . . . 293 ASN N . 50873 1 76 . 1 . 1 11 11 ARG H H 1 8.340 0.021 . 1 . . . . . 294 ARG H . 50873 1 77 . 1 . 1 11 11 ARG HG2 H 1 1.830 0.045 . 1 . . . . . 294 ARG HG2 . 50873 1 78 . 1 . 1 11 11 ARG HD2 H 1 3.439 0.000 . 1 . . . . . 294 ARG HD2 . 50873 1 79 . 1 . 1 11 11 ARG C C 13 179.795 0.000 . 1 . . . . . 294 ARG C . 50873 1 80 . 1 . 1 11 11 ARG CA C 13 59.573 0.000 . 1 . . . . . 294 ARG CA . 50873 1 81 . 1 . 1 11 11 ARG CB C 13 30.083 0.000 . 1 . . . . . 294 ARG CB . 50873 1 82 . 1 . 1 11 11 ARG CG C 13 27.129 0.016 . 1 . . . . . 294 ARG CG . 50873 1 83 . 1 . 1 11 11 ARG CD C 13 43.493 0.000 . 1 . . . . . 294 ARG CD . 50873 1 84 . 1 . 1 11 11 ARG N N 15 119.724 0.056 . 1 . . . . . 294 ARG N . 50873 1 85 . 1 . 1 12 12 GLU H H 1 7.716 0.021 . 1 . . . . . 295 GLU H . 50873 1 86 . 1 . 1 12 12 GLU HA H 1 4.169 0.000 . 1 . . . . . 295 GLU HA . 50873 1 87 . 1 . 1 12 12 GLU HB2 H 1 2.199 0.000 . 1 . . . . . 295 GLU HB2 . 50873 1 88 . 1 . 1 12 12 GLU C C 13 178.823 0.000 . 1 . . . . . 295 GLU C . 50873 1 89 . 1 . 1 12 12 GLU CA C 13 59.168 0.000 . 1 . . . . . 295 GLU CA . 50873 1 90 . 1 . 1 12 12 GLU CB C 13 29.218 0.000 . 1 . . . . . 295 GLU CB . 50873 1 91 . 1 . 1 12 12 GLU N N 15 120.885 0.034 . 1 . . . . . 295 GLU N . 50873 1 92 . 1 . 1 13 13 ALA H H 1 8.363 0.018 . 1 . . . . . 296 ALA H . 50873 1 93 . 1 . 1 13 13 ALA HA H 1 4.330 0.042 . 1 . . . . . 296 ALA HA . 50873 1 94 . 1 . 1 13 13 ALA HB1 H 1 1.648 0.044 . 1 . . . . . 296 ALA HB1 . 50873 1 95 . 1 . 1 13 13 ALA HB2 H 1 1.648 0.044 . 1 . . . . . 296 ALA HB2 . 50873 1 96 . 1 . 1 13 13 ALA HB3 H 1 1.648 0.044 . 1 . . . . . 296 ALA HB3 . 50873 1 97 . 1 . 1 13 13 ALA C C 13 180.745 0.000 . 1 . . . . . 296 ALA C . 50873 1 98 . 1 . 1 13 13 ALA CA C 13 55.039 0.037 . 1 . . . . . 296 ALA CA . 50873 1 99 . 1 . 1 13 13 ALA CB C 13 18.582 0.051 . 1 . . . . . 296 ALA CB . 50873 1 100 . 1 . 1 13 13 ALA N N 15 123.675 0.052 . 1 . . . . . 296 ALA N . 50873 1 101 . 1 . 1 14 14 ALA H H 1 8.734 0.023 . 1 . . . . . 297 ALA H . 50873 1 102 . 1 . 1 14 14 ALA C C 13 179.689 0.000 . 1 . . . . . 297 ALA C . 50873 1 103 . 1 . 1 14 14 ALA CA C 13 55.470 0.014 . 1 . . . . . 297 ALA CA . 50873 1 104 . 1 . 1 14 14 ALA CB C 13 19.562 0.031 . 1 . . . . . 297 ALA CB . 50873 1 105 . 1 . 1 14 14 ALA N N 15 122.506 0.058 . 1 . . . . . 297 ALA N . 50873 1 106 . 1 . 1 15 15 ARG H H 1 7.499 0.024 . 1 . . . . . 298 ARG H . 50873 1 107 . 1 . 1 15 15 ARG HA H 1 4.340 0.000 . 1 . . . . . 298 ARG HA . 50873 1 108 . 1 . 1 15 15 ARG HB2 H 1 2.355 0.040 . 1 . . . . . 298 ARG HB2 . 50873 1 109 . 1 . 1 15 15 ARG HG2 H 1 1.976 0.000 . 1 . . . . . 298 ARG HG2 . 50873 1 110 . 1 . 1 15 15 ARG HD2 H 1 3.517 0.000 . 1 . . . . . 298 ARG HD2 . 50873 1 111 . 1 . 1 15 15 ARG C C 13 179.778 0.000 . 1 . . . . . 298 ARG C . 50873 1 112 . 1 . 1 15 15 ARG CA C 13 60.200 0.000 . 1 . . . . . 298 ARG CA . 50873 1 113 . 1 . 1 15 15 ARG CB C 13 30.205 0.035 . 1 . . . . . 298 ARG CB . 50873 1 114 . 1 . 1 15 15 ARG CG C 13 27.211 0.000 . 1 . . . . . 298 ARG CG . 50873 1 115 . 1 . 1 15 15 ARG CD C 13 44.387 0.000 . 1 . . . . . 298 ARG CD . 50873 1 116 . 1 . 1 15 15 ARG N N 15 118.396 0.057 . 1 . . . . . 298 ARG N . 50873 1 117 . 1 . 1 16 16 GLU H H 1 7.951 0.016 . 1 . . . . . 299 GLU H . 50873 1 118 . 1 . 1 16 16 GLU C C 13 178.675 0.000 . 1 . . . . . 299 GLU C . 50873 1 119 . 1 . 1 16 16 GLU CA C 13 58.684 0.057 . 1 . . . . . 299 GLU CA . 50873 1 120 . 1 . 1 16 16 GLU CB C 13 28.985 0.000 . 1 . . . . . 299 GLU CB . 50873 1 121 . 1 . 1 16 16 GLU N N 15 120.391 0.031 . 1 . . . . . 299 GLU N . 50873 1 122 . 1 . 1 17 17 SER H H 1 8.837 0.021 . 1 . . . . . 300 SER H . 50873 1 123 . 1 . 1 17 17 SER HA H 1 4.579 0.000 . 1 . . . . . 300 SER HA . 50873 1 124 . 1 . 1 17 17 SER HB2 H 1 4.069 0.000 . 1 . . . . . 300 SER HB2 . 50873 1 125 . 1 . 1 17 17 SER C C 13 178.242 0.000 . 1 . . . . . 300 SER C . 50873 1 126 . 1 . 1 17 17 SER CA C 13 62.658 0.000 . 1 . . . . . 300 SER CA . 50873 1 127 . 1 . 1 17 17 SER CB C 13 63.535 0.000 . 1 . . . . . 300 SER CB . 50873 1 128 . 1 . 1 17 17 SER N N 15 117.597 0.054 . 1 . . . . . 300 SER N . 50873 1 129 . 1 . 1 18 18 ARG H H 1 8.401 0.019 . 1 . . . . . 301 ARG H . 50873 1 130 . 1 . 1 18 18 ARG HG2 H 1 2.143 0.000 . 1 . . . . . 301 ARG HG2 . 50873 1 131 . 1 . 1 18 18 ARG C C 13 179.737 0.000 . 1 . . . . . 301 ARG C . 50873 1 132 . 1 . 1 18 18 ARG CA C 13 60.602 0.000 . 1 . . . . . 301 ARG CA . 50873 1 133 . 1 . 1 18 18 ARG CG C 13 27.427 0.000 . 1 . . . . . 301 ARG CG . 50873 1 134 . 1 . 1 18 18 ARG N N 15 120.008 0.056 . 1 . . . . . 301 ARG N . 50873 1 135 . 1 . 1 19 19 ARG H H 1 7.942 0.017 . 1 . . . . . 302 ARG H . 50873 1 136 . 1 . 1 19 19 ARG C C 13 178.927 0.000 . 1 . . . . . 302 ARG C . 50873 1 137 . 1 . 1 19 19 ARG CA C 13 59.989 0.000 . 1 . . . . . 302 ARG CA . 50873 1 138 . 1 . 1 19 19 ARG CB C 13 29.809 0.000 . 1 . . . . . 302 ARG CB . 50873 1 139 . 1 . 1 19 19 ARG N N 15 122.304 0.035 . 1 . . . . . 302 ARG N . 50873 1 140 . 1 . 1 20 20 LYS H H 1 8.607 0.005 . 1 . . . . . 303 LYS H . 50873 1 141 . 1 . 1 20 20 LYS HA H 1 4.034 0.000 . 1 . . . . . 303 LYS HA . 50873 1 142 . 1 . 1 20 20 LYS HB2 H 1 2.029 0.000 . 1 . . . . . 303 LYS HB2 . 50873 1 143 . 1 . 1 20 20 LYS HD2 H 1 1.533 0.043 . 1 . . . . . 303 LYS HD2 . 50873 1 144 . 1 . 1 20 20 LYS C C 13 179.989 0.000 . 1 . . . . . 303 LYS C . 50873 1 145 . 1 . 1 20 20 LYS CA C 13 60.033 0.009 . 1 . . . . . 303 LYS CA . 50873 1 146 . 1 . 1 20 20 LYS CB C 13 32.602 0.000 . 1 . . . . . 303 LYS CB . 50873 1 147 . 1 . 1 20 20 LYS CD C 13 27.757 0.066 . 1 . . . . . 303 LYS CD . 50873 1 148 . 1 . 1 20 20 LYS N N 15 120.262 0.054 . 1 . . . . . 303 LYS N . 50873 1 149 . 1 . 1 21 21 LYS H H 1 8.305 0.021 . 1 . . . . . 304 LYS H . 50873 1 150 . 1 . 1 21 21 LYS HA H 1 3.934 0.000 . 1 . . . . . 304 LYS HA . 50873 1 151 . 1 . 1 21 21 LYS HB2 H 1 1.486 0.000 . 1 . . . . . 304 LYS HB2 . 50873 1 152 . 1 . 1 21 21 LYS C C 13 178.555 0.000 . 1 . . . . . 304 LYS C . 50873 1 153 . 1 . 1 21 21 LYS CA C 13 58.776 0.008 . 1 . . . . . 304 LYS CA . 50873 1 154 . 1 . 1 21 21 LYS CB C 13 31.406 0.000 . 1 . . . . . 304 LYS CB . 50873 1 155 . 1 . 1 21 21 LYS N N 15 121.397 0.031 . 1 . . . . . 304 LYS N . 50873 1 156 . 1 . 1 22 22 LYS H H 1 8.020 0.022 . 1 . . . . . 305 LYS H . 50873 1 157 . 1 . 1 22 22 LYS HA H 1 4.125 0.000 . 1 . . . . . 305 LYS HA . 50873 1 158 . 1 . 1 22 22 LYS HB2 H 1 2.092 0.000 . 1 . . . . . 305 LYS HB2 . 50873 1 159 . 1 . 1 22 22 LYS C C 13 179.942 0.000 . 1 . . . . . 305 LYS C . 50873 1 160 . 1 . 1 22 22 LYS CA C 13 60.090 0.000 . 1 . . . . . 305 LYS CA . 50873 1 161 . 1 . 1 22 22 LYS N N 15 120.057 0.030 . 1 . . . . . 305 LYS N . 50873 1 162 . 1 . 1 23 23 GLU H H 1 8.179 0.020 . 1 . . . . . 306 GLU H . 50873 1 163 . 1 . 1 23 23 GLU HB2 H 1 2.209 0.000 . 1 . . . . . 306 GLU HB2 . 50873 1 164 . 1 . 1 23 23 GLU C C 13 179.124 0.000 . 1 . . . . . 306 GLU C . 50873 1 165 . 1 . 1 23 23 GLU CA C 13 59.140 0.011 . 1 . . . . . 306 GLU CA . 50873 1 166 . 1 . 1 23 23 GLU CB C 13 29.306 0.000 . 1 . . . . . 306 GLU CB . 50873 1 167 . 1 . 1 23 23 GLU N N 15 118.687 0.000 . 1 . . . . . 306 GLU N . 50873 1 168 . 1 . 1 24 24 TYR H H 1 8.537 0.008 . 1 . . . . . 307 TYR H . 50873 1 169 . 1 . 1 24 24 TYR HA H 1 4.291 0.000 . 1 . . . . . 307 TYR HA . 50873 1 170 . 1 . 1 24 24 TYR C C 13 178.110 0.000 . 1 . . . . . 307 TYR C . 50873 1 171 . 1 . 1 24 24 TYR CA C 13 60.903 0.000 . 1 . . . . . 307 TYR CA . 50873 1 172 . 1 . 1 24 24 TYR CB C 13 38.258 0.000 . 1 . . . . . 307 TYR CB . 50873 1 173 . 1 . 1 24 24 TYR N N 15 123.252 0.054 . 1 . . . . . 307 TYR N . 50873 1 174 . 1 . 1 25 25 VAL H H 1 8.490 0.008 . 1 . . . . . 308 VAL H . 50873 1 175 . 1 . 1 25 25 VAL HA H 1 3.967 0.000 . 1 . . . . . 308 VAL HA . 50873 1 176 . 1 . 1 25 25 VAL HB H 1 2.172 0.000 . 1 . . . . . 308 VAL HB . 50873 1 177 . 1 . 1 25 25 VAL HG11 H 1 1.338 0.047 . 2 . . . . . 308 VAL HG11 . 50873 1 178 . 1 . 1 25 25 VAL HG12 H 1 1.338 0.047 . 2 . . . . . 308 VAL HG12 . 50873 1 179 . 1 . 1 25 25 VAL HG13 H 1 1.338 0.047 . 2 . . . . . 308 VAL HG13 . 50873 1 180 . 1 . 1 25 25 VAL HG21 H 1 1.109 0.045 . 2 . . . . . 308 VAL HG21 . 50873 1 181 . 1 . 1 25 25 VAL HG22 H 1 1.109 0.045 . 2 . . . . . 308 VAL HG22 . 50873 1 182 . 1 . 1 25 25 VAL HG23 H 1 1.109 0.045 . 2 . . . . . 308 VAL HG23 . 50873 1 183 . 1 . 1 25 25 VAL C C 13 177.801 0.000 . 1 . . . . . 308 VAL C . 50873 1 184 . 1 . 1 25 25 VAL CA C 13 67.787 0.053 . 1 . . . . . 308 VAL CA . 50873 1 185 . 1 . 1 25 25 VAL CB C 13 31.518 0.000 . 1 . . . . . 308 VAL CB . 50873 1 186 . 1 . 1 25 25 VAL CG1 C 13 24.198 0.025 . 2 . . . . . 308 VAL CG1 . 50873 1 187 . 1 . 1 25 25 VAL CG2 C 13 21.718 0.007 . 2 . . . . . 308 VAL CG2 . 50873 1 188 . 1 . 1 25 25 VAL N N 15 120.618 0.052 . 1 . . . . . 308 VAL N . 50873 1 189 . 1 . 1 26 26 LYS H H 1 7.878 0.022 . 1 . . . . . 309 LYS H . 50873 1 190 . 1 . 1 26 26 LYS HA H 1 4.214 0.000 . 1 . . . . . 309 LYS HA . 50873 1 191 . 1 . 1 26 26 LYS HB2 H 1 1.937 0.000 . 1 . . . . . 309 LYS HB2 . 50873 1 192 . 1 . 1 26 26 LYS C C 13 179.390 0.000 . 1 . . . . . 309 LYS C . 50873 1 193 . 1 . 1 26 26 LYS CA C 13 58.983 0.000 . 1 . . . . . 309 LYS CA . 50873 1 194 . 1 . 1 26 26 LYS CB C 13 31.861 0.000 . 1 . . . . . 309 LYS CB . 50873 1 195 . 1 . 1 26 26 LYS N N 15 118.711 0.023 . 1 . . . . . 309 LYS N . 50873 1 196 . 1 . 1 27 27 SER H H 1 8.409 0.025 . 1 . . . . . 310 SER H . 50873 1 197 . 1 . 1 27 27 SER HA H 1 4.181 0.000 . 1 . . . . . 310 SER HA . 50873 1 198 . 1 . 1 27 27 SER HB2 H 1 3.505 0.000 . 2 . . . . . 310 SER HB2 . 50873 1 199 . 1 . 1 27 27 SER HB3 H 1 3.679 0.000 . 2 . . . . . 310 SER HB3 . 50873 1 200 . 1 . 1 27 27 SER C C 13 177.454 0.000 . 1 . . . . . 310 SER C . 50873 1 201 . 1 . 1 27 27 SER CA C 13 61.743 0.000 . 1 . . . . . 310 SER CA . 50873 1 202 . 1 . 1 27 27 SER CB C 13 62.492 0.000 . 1 . . . . . 310 SER CB . 50873 1 203 . 1 . 1 27 27 SER N N 15 116.114 0.017 . 1 . . . . . 310 SER N . 50873 1 204 . 1 . 1 28 28 LEU H H 1 7.983 0.021 . 1 . . . . . 311 LEU H . 50873 1 205 . 1 . 1 28 28 LEU HA H 1 4.117 0.000 . 1 . . . . . 311 LEU HA . 50873 1 206 . 1 . 1 28 28 LEU HB2 H 1 1.464 0.043 . 2 . . . . . 311 LEU HB2 . 50873 1 207 . 1 . 1 28 28 LEU HB3 H 1 1.657 0.000 . 2 . . . . . 311 LEU HB3 . 50873 1 208 . 1 . 1 28 28 LEU HG H 1 1.351 0.000 . 1 . . . . . 311 LEU HG . 50873 1 209 . 1 . 1 28 28 LEU HD11 H 1 0.737 0.000 . 2 . . . . . 311 LEU HD11 . 50873 1 210 . 1 . 1 28 28 LEU HD12 H 1 0.737 0.000 . 2 . . . . . 311 LEU HD12 . 50873 1 211 . 1 . 1 28 28 LEU HD13 H 1 0.737 0.000 . 2 . . . . . 311 LEU HD13 . 50873 1 212 . 1 . 1 28 28 LEU HD21 H 1 0.834 0.000 . 2 . . . . . 311 LEU HD21 . 50873 1 213 . 1 . 1 28 28 LEU HD22 H 1 0.834 0.000 . 2 . . . . . 311 LEU HD22 . 50873 1 214 . 1 . 1 28 28 LEU HD23 H 1 0.834 0.000 . 2 . . . . . 311 LEU HD23 . 50873 1 215 . 1 . 1 28 28 LEU C C 13 178.700 0.000 . 1 . . . . . 311 LEU C . 50873 1 216 . 1 . 1 28 28 LEU CA C 13 57.812 0.094 . 1 . . . . . 311 LEU CA . 50873 1 217 . 1 . 1 28 28 LEU CB C 13 43.498 0.000 . 1 . . . . . 311 LEU CB . 50873 1 218 . 1 . 1 28 28 LEU CG C 13 26.586 0.000 . 1 . . . . . 311 LEU CG . 50873 1 219 . 1 . 1 28 28 LEU CD1 C 13 26.802 0.000 . 2 . . . . . 311 LEU CD1 . 50873 1 220 . 1 . 1 28 28 LEU CD2 C 13 23.143 0.000 . 2 . . . . . 311 LEU CD2 . 50873 1 221 . 1 . 1 28 28 LEU N N 15 125.176 0.063 . 1 . . . . . 311 LEU N . 50873 1 222 . 1 . 1 29 29 GLU H H 1 8.399 0.021 . 1 . . . . . 312 GLU H . 50873 1 223 . 1 . 1 29 29 GLU C C 13 180.473 0.000 . 1 . . . . . 312 GLU C . 50873 1 224 . 1 . 1 29 29 GLU CA C 13 59.752 0.006 . 1 . . . . . 312 GLU CA . 50873 1 225 . 1 . 1 29 29 GLU CB C 13 29.503 0.000 . 1 . . . . . 312 GLU CB . 50873 1 226 . 1 . 1 29 29 GLU N N 15 118.552 0.006 . 1 . . . . . 312 GLU N . 50873 1 227 . 1 . 1 30 30 ASN H H 1 8.418 0.026 . 1 . . . . . 313 ASN H . 50873 1 228 . 1 . 1 30 30 ASN HA H 1 4.006 0.000 . 1 . . . . . 313 ASN HA . 50873 1 229 . 1 . 1 30 30 ASN HD21 H 1 6.956 0.000 . 1 . . . . . 313 ASN HD21 . 50873 1 230 . 1 . 1 30 30 ASN HD22 H 1 7.737 0.000 . 1 . . . . . 313 ASN HD22 . 50873 1 231 . 1 . 1 30 30 ASN C C 13 176.725 0.000 . 1 . . . . . 313 ASN C . 50873 1 232 . 1 . 1 30 30 ASN CA C 13 56.253 0.036 . 1 . . . . . 313 ASN CA . 50873 1 233 . 1 . 1 30 30 ASN CB C 13 38.710 0.037 . 1 . . . . . 313 ASN CB . 50873 1 234 . 1 . 1 30 30 ASN CG C 13 174.753 0.000 . 1 . . . . . 313 ASN CG . 50873 1 235 . 1 . 1 30 30 ASN N N 15 118.004 0.043 . 1 . . . . . 313 ASN N . 50873 1 236 . 1 . 1 30 30 ASN ND2 N 15 112.429 0.018 . 1 . . . . . 313 ASN ND2 . 50873 1 237 . 1 . 1 31 31 ARG H H 1 8.333 0.020 . 1 . . . . . 314 ARG H . 50873 1 238 . 1 . 1 31 31 ARG HB2 H 1 2.153 0.000 . 1 . . . . . 314 ARG HB2 . 50873 1 239 . 1 . 1 31 31 ARG C C 13 178.559 0.000 . 1 . . . . . 314 ARG C . 50873 1 240 . 1 . 1 31 31 ARG CA C 13 58.926 0.000 . 1 . . . . . 314 ARG CA . 50873 1 241 . 1 . 1 31 31 ARG CB C 13 29.926 0.004 . 1 . . . . . 314 ARG CB . 50873 1 242 . 1 . 1 31 31 ARG N N 15 121.652 0.018 . 1 . . . . . 314 ARG N . 50873 1 243 . 1 . 1 32 32 VAL H H 1 8.459 0.022 . 1 . . . . . 315 VAL H . 50873 1 244 . 1 . 1 32 32 VAL HA H 1 3.570 0.000 . 1 . . . . . 315 VAL HA . 50873 1 245 . 1 . 1 32 32 VAL HG11 H 1 0.935 0.044 . 1 . . . . . 315 VAL HG11 . 50873 1 246 . 1 . 1 32 32 VAL HG12 H 1 0.935 0.044 . 1 . . . . . 315 VAL HG12 . 50873 1 247 . 1 . 1 32 32 VAL HG13 H 1 0.935 0.044 . 1 . . . . . 315 VAL HG13 . 50873 1 248 . 1 . 1 32 32 VAL C C 13 176.800 0.000 . 1 . . . . . 315 VAL C . 50873 1 249 . 1 . 1 32 32 VAL CA C 13 67.393 0.053 . 1 . . . . . 315 VAL CA . 50873 1 250 . 1 . 1 32 32 VAL CB C 13 31.600 0.000 . 1 . . . . . 315 VAL CB . 50873 1 251 . 1 . 1 32 32 VAL CG1 C 13 21.624 0.003 . 1 . . . . . 315 VAL CG1 . 50873 1 252 . 1 . 1 32 32 VAL N N 15 118.430 0.080 . 1 . . . . . 315 VAL N . 50873 1 253 . 1 . 1 33 33 ALA H H 1 7.324 0.022 . 1 . . . . . 316 ALA H . 50873 1 254 . 1 . 1 33 33 ALA HA H 1 4.228 0.050 . 1 . . . . . 316 ALA HA . 50873 1 255 . 1 . 1 33 33 ALA HB1 H 1 1.609 0.042 . 1 . . . . . 316 ALA HB1 . 50873 1 256 . 1 . 1 33 33 ALA HB2 H 1 1.609 0.042 . 1 . . . . . 316 ALA HB2 . 50873 1 257 . 1 . 1 33 33 ALA HB3 H 1 1.609 0.042 . 1 . . . . . 316 ALA HB3 . 50873 1 258 . 1 . 1 33 33 ALA C C 13 181.293 0.000 . 1 . . . . . 316 ALA C . 50873 1 259 . 1 . 1 33 33 ALA CA C 13 55.417 0.052 . 1 . . . . . 316 ALA CA . 50873 1 260 . 1 . 1 33 33 ALA CB C 13 18.027 0.023 . 1 . . . . . 316 ALA CB . 50873 1 261 . 1 . 1 33 33 ALA N N 15 120.655 0.069 . 1 . . . . . 316 ALA N . 50873 1 262 . 1 . 1 34 34 VAL H H 1 8.258 0.017 . 1 . . . . . 317 VAL H . 50873 1 263 . 1 . 1 34 34 VAL HA H 1 3.806 0.057 . 1 . . . . . 317 VAL HA . 50873 1 264 . 1 . 1 34 34 VAL HB H 1 2.152 0.000 . 1 . . . . . 317 VAL HB . 50873 1 265 . 1 . 1 34 34 VAL HG11 H 1 1.164 0.044 . 2 . . . . . 317 VAL HG11 . 50873 1 266 . 1 . 1 34 34 VAL HG12 H 1 1.164 0.044 . 2 . . . . . 317 VAL HG12 . 50873 1 267 . 1 . 1 34 34 VAL HG13 H 1 1.164 0.044 . 2 . . . . . 317 VAL HG13 . 50873 1 268 . 1 . 1 34 34 VAL HG21 H 1 1.071 0.044 . 2 . . . . . 317 VAL HG21 . 50873 1 269 . 1 . 1 34 34 VAL HG22 H 1 1.071 0.044 . 2 . . . . . 317 VAL HG22 . 50873 1 270 . 1 . 1 34 34 VAL HG23 H 1 1.071 0.044 . 2 . . . . . 317 VAL HG23 . 50873 1 271 . 1 . 1 34 34 VAL C C 13 176.800 0.000 . 1 . . . . . 317 VAL C . 50873 1 272 . 1 . 1 34 34 VAL CA C 13 66.466 0.019 . 1 . . . . . 317 VAL CA . 50873 1 273 . 1 . 1 34 34 VAL CB C 13 29.674 0.000 . 1 . . . . . 317 VAL CB . 50873 1 274 . 1 . 1 34 34 VAL CG1 C 13 22.741 0.021 . 1 . . . . . 317 VAL CG1 . 50873 1 275 . 1 . 1 34 34 VAL CG2 C 13 22.741 0.021 . 1 . . . . . 317 VAL CG2 . 50873 1 276 . 1 . 1 34 34 VAL N N 15 119.245 0.055 . 1 . . . . . 317 VAL N . 50873 1 277 . 1 . 1 35 35 LEU H H 1 8.631 0.004 . 1 . . . . . 318 LEU H . 50873 1 278 . 1 . 1 35 35 LEU HA H 1 3.933 0.000 . 1 . . . . . 318 LEU HA . 50873 1 279 . 1 . 1 35 35 LEU HB2 H 1 1.897 0.000 . 1 . . . . . 318 LEU HB2 . 50873 1 280 . 1 . 1 35 35 LEU HD11 H 1 0.934 0.044 . 2 . . . . . 318 LEU HD11 . 50873 1 281 . 1 . 1 35 35 LEU HD12 H 1 0.934 0.044 . 2 . . . . . 318 LEU HD12 . 50873 1 282 . 1 . 1 35 35 LEU HD13 H 1 0.934 0.044 . 2 . . . . . 318 LEU HD13 . 50873 1 283 . 1 . 1 35 35 LEU HD21 H 1 1.030 0.044 . 2 . . . . . 318 LEU HD21 . 50873 1 284 . 1 . 1 35 35 LEU HD22 H 1 1.030 0.044 . 2 . . . . . 318 LEU HD22 . 50873 1 285 . 1 . 1 35 35 LEU HD23 H 1 1.030 0.044 . 2 . . . . . 318 LEU HD23 . 50873 1 286 . 1 . 1 35 35 LEU C C 13 179.911 0.000 . 1 . . . . . 318 LEU C . 50873 1 287 . 1 . 1 35 35 LEU CA C 13 58.047 0.084 . 1 . . . . . 318 LEU CA . 50873 1 288 . 1 . 1 35 35 LEU CB C 13 43.990 0.000 . 1 . . . . . 318 LEU CB . 50873 1 289 . 1 . 1 35 35 LEU CD1 C 13 22.931 0.008 . 2 . . . . . 318 LEU CD1 . 50873 1 290 . 1 . 1 35 35 LEU CD2 C 13 28.162 0.009 . 2 . . . . . 318 LEU CD2 . 50873 1 291 . 1 . 1 35 35 LEU N N 15 121.312 0.021 . 1 . . . . . 318 LEU N . 50873 1 292 . 1 . 1 36 36 GLU H H 1 9.137 0.022 . 1 . . . . . 319 GLU H . 50873 1 293 . 1 . 1 36 36 GLU HA H 1 4.011 0.000 . 1 . . . . . 319 GLU HA . 50873 1 294 . 1 . 1 36 36 GLU C C 13 179.824 0.000 . 1 . . . . . 319 GLU C . 50873 1 295 . 1 . 1 36 36 GLU CA C 13 60.220 0.053 . 1 . . . . . 319 GLU CA . 50873 1 296 . 1 . 1 36 36 GLU CB C 13 29.427 0.000 . 1 . . . . . 319 GLU CB . 50873 1 297 . 1 . 1 36 36 GLU N N 15 120.600 0.053 . 1 . . . . . 319 GLU N . 50873 1 298 . 1 . 1 37 37 ASN H H 1 7.784 0.023 . 1 . . . . . 320 ASN H . 50873 1 299 . 1 . 1 37 37 ASN HA H 1 4.306 0.000 . 1 . . . . . 320 ASN HA . 50873 1 300 . 1 . 1 37 37 ASN HD21 H 1 7.043 0.000 . 1 . . . . . 320 ASN HD21 . 50873 1 301 . 1 . 1 37 37 ASN HD22 H 1 7.772 0.000 . 1 . . . . . 320 ASN HD22 . 50873 1 302 . 1 . 1 37 37 ASN C C 13 177.952 0.000 . 1 . . . . . 320 ASN C . 50873 1 303 . 1 . 1 37 37 ASN CA C 13 56.796 0.013 . 1 . . . . . 320 ASN CA . 50873 1 304 . 1 . 1 37 37 ASN CB C 13 38.822 0.002 . 1 . . . . . 320 ASN CB . 50873 1 305 . 1 . 1 37 37 ASN CG C 13 173.871 0.000 . 1 . . . . . 320 ASN CG . 50873 1 306 . 1 . 1 37 37 ASN N N 15 118.277 0.071 . 1 . . . . . 320 ASN N . 50873 1 307 . 1 . 1 37 37 ASN ND2 N 15 113.592 0.001 . 1 . . . . . 320 ASN ND2 . 50873 1 308 . 1 . 1 38 38 GLN H H 1 8.696 0.021 . 1 . . . . . 321 GLN H . 50873 1 309 . 1 . 1 38 38 GLN HE21 H 1 6.833 0.019 . 1 . . . . . 321 GLN HE21 . 50873 1 310 . 1 . 1 38 38 GLN HE22 H 1 7.432 0.000 . 1 . . . . . 321 GLN HE22 . 50873 1 311 . 1 . 1 38 38 GLN C C 13 178.081 0.018 . 1 . . . . . 321 GLN C . 50873 1 312 . 1 . 1 38 38 GLN CA C 13 59.245 0.046 . 1 . . . . . 321 GLN CA . 50873 1 313 . 1 . 1 38 38 GLN CB C 13 28.582 0.000 . 1 . . . . . 321 GLN CB . 50873 1 314 . 1 . 1 38 38 GLN CD C 13 179.605 0.000 . 1 . . . . . 321 GLN CD . 50873 1 315 . 1 . 1 38 38 GLN N N 15 121.176 0.037 . 1 . . . . . 321 GLN N . 50873 1 316 . 1 . 1 38 38 GLN NE2 N 15 110.236 0.001 . 1 . . . . . 321 GLN NE2 . 50873 1 317 . 1 . 1 39 39 ASN H H 1 8.873 0.022 . 1 . . . . . 322 ASN H . 50873 1 318 . 1 . 1 39 39 ASN HA H 1 4.003 0.000 . 1 . . . . . 322 ASN HA . 50873 1 319 . 1 . 1 39 39 ASN C C 13 176.507 0.000 . 1 . . . . . 322 ASN C . 50873 1 320 . 1 . 1 39 39 ASN CA C 13 57.312 0.000 . 1 . . . . . 322 ASN CA . 50873 1 321 . 1 . 1 39 39 ASN CB C 13 38.725 0.000 . 1 . . . . . 322 ASN CB . 50873 1 322 . 1 . 1 39 39 ASN N N 15 119.733 0.044 . 1 . . . . . 322 ASN N . 50873 1 323 . 1 . 1 40 40 LYS H H 1 7.800 0.023 . 1 . . . . . 323 LYS H . 50873 1 324 . 1 . 1 40 40 LYS HA H 1 4.538 0.000 . 1 . . . . . 323 LYS HA . 50873 1 325 . 1 . 1 40 40 LYS HB2 H 1 2.028 0.000 . 2 . . . . . 323 LYS HB2 . 50873 1 326 . 1 . 1 40 40 LYS HB3 H 1 1.983 0.000 . 2 . . . . . 323 LYS HB3 . 50873 1 327 . 1 . 1 40 40 LYS C C 13 178.990 0.000 . 1 . . . . . 323 LYS C . 50873 1 328 . 1 . 1 40 40 LYS CA C 13 60.018 0.030 . 1 . . . . . 323 LYS CA . 50873 1 329 . 1 . 1 40 40 LYS CB C 13 32.363 0.000 . 1 . . . . . 323 LYS CB . 50873 1 330 . 1 . 1 40 40 LYS N N 15 118.486 0.058 . 1 . . . . . 323 LYS N . 50873 1 331 . 1 . 1 41 41 THR H H 1 7.882 0.012 . 1 . . . . . 324 THR H . 50873 1 332 . 1 . 1 41 41 THR HA H 1 4.041 0.043 . 1 . . . . . 324 THR HA . 50873 1 333 . 1 . 1 41 41 THR HB H 1 4.378 0.043 . 1 . . . . . 324 THR HB . 50873 1 334 . 1 . 1 41 41 THR HG21 H 1 1.410 0.000 . 1 . . . . . 324 THR HG21 . 50873 1 335 . 1 . 1 41 41 THR HG22 H 1 1.410 0.000 . 1 . . . . . 324 THR HG22 . 50873 1 336 . 1 . 1 41 41 THR HG23 H 1 1.410 0.000 . 1 . . . . . 324 THR HG23 . 50873 1 337 . 1 . 1 41 41 THR C C 13 176.925 0.000 . 1 . . . . . 324 THR C . 50873 1 338 . 1 . 1 41 41 THR CA C 13 66.603 0.040 . 1 . . . . . 324 THR CA . 50873 1 339 . 1 . 1 41 41 THR CB C 13 68.998 0.042 . 1 . . . . . 324 THR CB . 50873 1 340 . 1 . 1 41 41 THR CG2 C 13 21.796 0.000 . 1 . . . . . 324 THR CG2 . 50873 1 341 . 1 . 1 41 41 THR N N 15 115.643 0.052 . 1 . . . . . 324 THR N . 50873 1 342 . 1 . 1 42 42 LEU H H 1 8.351 0.022 . 1 . . . . . 325 LEU H . 50873 1 343 . 1 . 1 42 42 LEU HA H 1 4.096 0.000 . 1 . . . . . 325 LEU HA . 50873 1 344 . 1 . 1 42 42 LEU HD11 H 1 0.945 0.000 . 2 . . . . . 325 LEU HD11 . 50873 1 345 . 1 . 1 42 42 LEU HD12 H 1 0.945 0.000 . 2 . . . . . 325 LEU HD12 . 50873 1 346 . 1 . 1 42 42 LEU HD13 H 1 0.945 0.000 . 2 . . . . . 325 LEU HD13 . 50873 1 347 . 1 . 1 42 42 LEU HD21 H 1 1.040 0.000 . 2 . . . . . 325 LEU HD21 . 50873 1 348 . 1 . 1 42 42 LEU HD22 H 1 1.040 0.000 . 2 . . . . . 325 LEU HD22 . 50873 1 349 . 1 . 1 42 42 LEU HD23 H 1 1.040 0.000 . 2 . . . . . 325 LEU HD23 . 50873 1 350 . 1 . 1 42 42 LEU C C 13 178.750 0.000 . 1 . . . . . 325 LEU C . 50873 1 351 . 1 . 1 42 42 LEU CA C 13 58.583 0.000 . 1 . . . . . 325 LEU CA . 50873 1 352 . 1 . 1 42 42 LEU CB C 13 43.291 0.050 . 1 . . . . . 325 LEU CB . 50873 1 353 . 1 . 1 42 42 LEU CD1 C 13 23.345 0.000 . 2 . . . . . 325 LEU CD1 . 50873 1 354 . 1 . 1 42 42 LEU CD2 C 13 26.720 0.000 . 2 . . . . . 325 LEU CD2 . 50873 1 355 . 1 . 1 42 42 LEU N N 15 123.726 0.039 . 1 . . . . . 325 LEU N . 50873 1 356 . 1 . 1 43 43 ILE H H 1 8.385 0.021 . 1 . . . . . 326 ILE H . 50873 1 357 . 1 . 1 43 43 ILE HA H 1 3.970 0.000 . 1 . . . . . 326 ILE HA . 50873 1 358 . 1 . 1 43 43 ILE HB H 1 2.013 0.042 . 1 . . . . . 326 ILE HB . 50873 1 359 . 1 . 1 43 43 ILE HG21 H 1 0.982 0.042 . 1 . . . . . 326 ILE HG21 . 50873 1 360 . 1 . 1 43 43 ILE HG22 H 1 0.982 0.042 . 1 . . . . . 326 ILE HG22 . 50873 1 361 . 1 . 1 43 43 ILE HG23 H 1 0.982 0.042 . 1 . . . . . 326 ILE HG23 . 50873 1 362 . 1 . 1 43 43 ILE HD11 H 1 0.863 0.043 . 1 . . . . . 326 ILE HD11 . 50873 1 363 . 1 . 1 43 43 ILE HD12 H 1 0.863 0.043 . 1 . . . . . 326 ILE HD12 . 50873 1 364 . 1 . 1 43 43 ILE HD13 H 1 0.863 0.043 . 1 . . . . . 326 ILE HD13 . 50873 1 365 . 1 . 1 43 43 ILE C C 13 179.186 0.000 . 1 . . . . . 326 ILE C . 50873 1 366 . 1 . 1 43 43 ILE CA C 13 65.662 0.000 . 1 . . . . . 326 ILE CA . 50873 1 367 . 1 . 1 43 43 ILE CB C 13 38.039 0.025 . 1 . . . . . 326 ILE CB . 50873 1 368 . 1 . 1 43 43 ILE CG2 C 13 17.183 0.038 . 1 . . . . . 326 ILE CG2 . 50873 1 369 . 1 . 1 43 43 ILE CD1 C 13 13.298 0.028 . 1 . . . . . 326 ILE CD1 . 50873 1 370 . 1 . 1 43 43 ILE N N 15 119.721 0.073 . 1 . . . . . 326 ILE N . 50873 1 371 . 1 . 1 44 44 GLU H H 1 7.905 0.020 . 1 . . . . . 327 GLU H . 50873 1 372 . 1 . 1 44 44 GLU HA H 1 4.016 0.000 . 1 . . . . . 327 GLU HA . 50873 1 373 . 1 . 1 44 44 GLU HB2 H 1 2.168 0.000 . 1 . . . . . 327 GLU HB2 . 50873 1 374 . 1 . 1 44 44 GLU C C 13 179.542 0.013 . 1 . . . . . 327 GLU C . 50873 1 375 . 1 . 1 44 44 GLU CA C 13 59.350 0.000 . 1 . . . . . 327 GLU CA . 50873 1 376 . 1 . 1 44 44 GLU CB C 13 29.190 0.000 . 1 . . . . . 327 GLU CB . 50873 1 377 . 1 . 1 44 44 GLU N N 15 119.405 0.027 . 1 . . . . . 327 GLU N . 50873 1 378 . 1 . 1 45 45 GLU H H 1 8.365 0.020 . 1 . . . . . 328 GLU H . 50873 1 379 . 1 . 1 45 45 GLU HA H 1 4.063 0.000 . 1 . . . . . 328 GLU HA . 50873 1 380 . 1 . 1 45 45 GLU HB2 H 1 2.199 0.000 . 1 . . . . . 328 GLU HB2 . 50873 1 381 . 1 . 1 45 45 GLU C C 13 179.619 0.000 . 1 . . . . . 328 GLU C . 50873 1 382 . 1 . 1 45 45 GLU CA C 13 59.707 0.014 . 1 . . . . . 328 GLU CA . 50873 1 383 . 1 . 1 45 45 GLU CB C 13 29.544 0.000 . 1 . . . . . 328 GLU CB . 50873 1 384 . 1 . 1 45 45 GLU N N 15 122.660 0.076 . 1 . . . . . 328 GLU N . 50873 1 385 . 1 . 1 46 46 LEU H H 1 8.638 0.022 . 1 . . . . . 329 LEU H . 50873 1 386 . 1 . 1 46 46 LEU HA H 1 4.067 0.000 . 1 . . . . . 329 LEU HA . 50873 1 387 . 1 . 1 46 46 LEU HB2 H 1 1.756 0.000 . 1 . . . . . 329 LEU HB2 . 50873 1 388 . 1 . 1 46 46 LEU HD11 H 1 1.003 0.000 . 2 . . . . . 329 LEU HD11 . 50873 1 389 . 1 . 1 46 46 LEU HD12 H 1 1.003 0.000 . 2 . . . . . 329 LEU HD12 . 50873 1 390 . 1 . 1 46 46 LEU HD13 H 1 1.003 0.000 . 2 . . . . . 329 LEU HD13 . 50873 1 391 . 1 . 1 46 46 LEU HD21 H 1 1.043 0.000 . 2 . . . . . 329 LEU HD21 . 50873 1 392 . 1 . 1 46 46 LEU HD22 H 1 1.043 0.000 . 2 . . . . . 329 LEU HD22 . 50873 1 393 . 1 . 1 46 46 LEU HD23 H 1 1.043 0.000 . 2 . . . . . 329 LEU HD23 . 50873 1 394 . 1 . 1 46 46 LEU C C 13 178.435 0.000 . 1 . . . . . 329 LEU C . 50873 1 395 . 1 . 1 46 46 LEU CA C 13 58.471 0.053 . 1 . . . . . 329 LEU CA . 50873 1 396 . 1 . 1 46 46 LEU CB C 13 42.463 0.095 . 1 . . . . . 329 LEU CB . 50873 1 397 . 1 . 1 46 46 LEU CD1 C 13 25.650 0.000 . 2 . . . . . 329 LEU CD1 . 50873 1 398 . 1 . 1 46 46 LEU CD2 C 13 25.058 0.000 . 2 . . . . . 329 LEU CD2 . 50873 1 399 . 1 . 1 46 46 LEU N N 15 121.282 0.061 . 1 . . . . . 329 LEU N . 50873 1 400 . 1 . 1 47 47 LYS H H 1 8.170 0.005 . 1 . . . . . 330 LYS H . 50873 1 401 . 1 . 1 47 47 LYS HB2 H 1 2.132 0.000 . 1 . . . . . 330 LYS HB2 . 50873 1 402 . 1 . 1 47 47 LYS C C 13 178.820 0.000 . 1 . . . . . 330 LYS C . 50873 1 403 . 1 . 1 47 47 LYS CA C 13 59.820 0.086 . 1 . . . . . 330 LYS CA . 50873 1 404 . 1 . 1 47 47 LYS CB C 13 32.447 0.000 . 1 . . . . . 330 LYS CB . 50873 1 405 . 1 . 1 47 47 LYS N N 15 118.828 0.046 . 1 . . . . . 330 LYS N . 50873 1 406 . 1 . 1 48 48 ALA H H 1 7.919 0.015 . 1 . . . . . 331 ALA H . 50873 1 407 . 1 . 1 48 48 ALA HA H 1 4.232 0.037 . 1 . . . . . 331 ALA HA . 50873 1 408 . 1 . 1 48 48 ALA HB1 H 1 1.556 0.043 . 1 . . . . . 331 ALA HB1 . 50873 1 409 . 1 . 1 48 48 ALA HB2 H 1 1.556 0.043 . 1 . . . . . 331 ALA HB2 . 50873 1 410 . 1 . 1 48 48 ALA HB3 H 1 1.556 0.043 . 1 . . . . . 331 ALA HB3 . 50873 1 411 . 1 . 1 48 48 ALA C C 13 180.757 0.000 . 1 . . . . . 331 ALA C . 50873 1 412 . 1 . 1 48 48 ALA CA C 13 54.898 0.035 . 1 . . . . . 331 ALA CA . 50873 1 413 . 1 . 1 48 48 ALA CB C 13 18.063 0.056 . 1 . . . . . 331 ALA CB . 50873 1 414 . 1 . 1 48 48 ALA N N 15 120.363 0.111 . 1 . . . . . 331 ALA N . 50873 1 415 . 1 . 1 49 49 LEU H H 1 8.126 0.020 . 1 . . . . . 332 LEU H . 50873 1 416 . 1 . 1 49 49 LEU HA H 1 4.126 0.071 . 1 . . . . . 332 LEU HA . 50873 1 417 . 1 . 1 49 49 LEU HB2 H 1 1.908 0.000 . 2 . . . . . 332 LEU HB2 . 50873 1 418 . 1 . 1 49 49 LEU HB3 H 1 1.778 0.038 . 2 . . . . . 332 LEU HB3 . 50873 1 419 . 1 . 1 49 49 LEU HD11 H 1 0.972 0.000 . 2 . . . . . 332 LEU HD11 . 50873 1 420 . 1 . 1 49 49 LEU HD12 H 1 0.972 0.000 . 2 . . . . . 332 LEU HD12 . 50873 1 421 . 1 . 1 49 49 LEU HD13 H 1 0.972 0.000 . 2 . . . . . 332 LEU HD13 . 50873 1 422 . 1 . 1 49 49 LEU HD21 H 1 1.022 0.000 . 2 . . . . . 332 LEU HD21 . 50873 1 423 . 1 . 1 49 49 LEU HD22 H 1 1.022 0.000 . 2 . . . . . 332 LEU HD22 . 50873 1 424 . 1 . 1 49 49 LEU HD23 H 1 1.022 0.000 . 2 . . . . . 332 LEU HD23 . 50873 1 425 . 1 . 1 49 49 LEU C C 13 178.694 0.000 . 1 . . . . . 332 LEU C . 50873 1 426 . 1 . 1 49 49 LEU CA C 13 57.658 0.045 . 1 . . . . . 332 LEU CA . 50873 1 427 . 1 . 1 49 49 LEU CB C 13 42.330 0.050 . 1 . . . . . 332 LEU CB . 50873 1 428 . 1 . 1 49 49 LEU CD1 C 13 25.096 0.000 . 2 . . . . . 332 LEU CD1 . 50873 1 429 . 1 . 1 49 49 LEU CD2 C 13 25.514 0.000 . 2 . . . . . 332 LEU CD2 . 50873 1 430 . 1 . 1 49 49 LEU N N 15 120.212 0.069 . 1 . . . . . 332 LEU N . 50873 1 431 . 1 . 1 50 50 LYS H H 1 8.414 0.019 . 1 . . . . . 333 LYS H . 50873 1 432 . 1 . 1 50 50 LYS C C 13 179.822 0.054 . 1 . . . . . 333 LYS C . 50873 1 433 . 1 . 1 50 50 LYS CA C 13 60.320 0.000 . 1 . . . . . 333 LYS CA . 50873 1 434 . 1 . 1 50 50 LYS CB C 13 32.211 0.000 . 1 . . . . . 333 LYS CB . 50873 1 435 . 1 . 1 50 50 LYS N N 15 118.633 0.022 . 1 . . . . . 333 LYS N . 50873 1 436 . 1 . 1 51 51 ASP H H 1 8.082 0.019 . 1 . . . . . 334 ASP H . 50873 1 437 . 1 . 1 51 51 ASP HA H 1 4.398 0.000 . 1 . . . . . 334 ASP HA . 50873 1 438 . 1 . 1 51 51 ASP HB2 H 1 2.711 0.000 . 2 . . . . . 334 ASP HB2 . 50873 1 439 . 1 . 1 51 51 ASP HB3 H 1 2.631 0.000 . 2 . . . . . 334 ASP HB3 . 50873 1 440 . 1 . 1 51 51 ASP C C 13 178.461 0.029 . 1 . . . . . 334 ASP C . 50873 1 441 . 1 . 1 51 51 ASP CA C 13 56.960 0.016 . 1 . . . . . 334 ASP CA . 50873 1 442 . 1 . 1 51 51 ASP CB C 13 40.733 0.000 . 1 . . . . . 334 ASP CB . 50873 1 443 . 1 . 1 51 51 ASP N N 15 118.955 0.040 . 1 . . . . . 334 ASP N . 50873 1 444 . 1 . 1 52 52 LEU H H 1 7.764 0.002 . 1 . . . . . 335 LEU H . 50873 1 445 . 1 . 1 52 52 LEU HA H 1 3.987 0.000 . 1 . . . . . 335 LEU HA . 50873 1 446 . 1 . 1 52 52 LEU HB2 H 1 1.412 0.000 . 2 . . . . . 335 LEU HB2 . 50873 1 447 . 1 . 1 52 52 LEU HB3 H 1 1.524 0.000 . 2 . . . . . 335 LEU HB3 . 50873 1 448 . 1 . 1 52 52 LEU HD11 H 1 0.735 0.044 . 2 . . . . . 335 LEU HD11 . 50873 1 449 . 1 . 1 52 52 LEU HD12 H 1 0.735 0.044 . 2 . . . . . 335 LEU HD12 . 50873 1 450 . 1 . 1 52 52 LEU HD13 H 1 0.735 0.044 . 2 . . . . . 335 LEU HD13 . 50873 1 451 . 1 . 1 52 52 LEU HD21 H 1 0.837 0.044 . 2 . . . . . 335 LEU HD21 . 50873 1 452 . 1 . 1 52 52 LEU HD22 H 1 0.837 0.044 . 2 . . . . . 335 LEU HD22 . 50873 1 453 . 1 . 1 52 52 LEU HD23 H 1 0.837 0.044 . 2 . . . . . 335 LEU HD23 . 50873 1 454 . 1 . 1 52 52 LEU C C 13 179.038 0.000 . 1 . . . . . 335 LEU C . 50873 1 455 . 1 . 1 52 52 LEU CA C 13 57.653 0.055 . 1 . . . . . 335 LEU CA . 50873 1 456 . 1 . 1 52 52 LEU CB C 13 42.268 0.000 . 1 . . . . . 335 LEU CB . 50873 1 457 . 1 . 1 52 52 LEU CD1 C 13 24.503 0.010 . 2 . . . . . 335 LEU CD1 . 50873 1 458 . 1 . 1 52 52 LEU CD2 C 13 23.990 0.024 . 2 . . . . . 335 LEU CD2 . 50873 1 459 . 1 . 1 52 52 LEU N N 15 121.415 0.022 . 1 . . . . . 335 LEU N . 50873 1 460 . 1 . 1 53 53 TYR H H 1 7.876 0.018 . 1 . . . . . 336 TYR H . 50873 1 461 . 1 . 1 53 53 TYR HA H 1 4.428 0.000 . 1 . . . . . 336 TYR HA . 50873 1 462 . 1 . 1 53 53 TYR HB2 H 1 2.784 0.000 . 2 . . . . . 336 TYR HB2 . 50873 1 463 . 1 . 1 53 53 TYR HB3 H 1 2.429 0.000 . 2 . . . . . 336 TYR HB3 . 50873 1 464 . 1 . 1 53 53 TYR CA C 13 58.452 0.011 . 1 . . . . . 336 TYR CA . 50873 1 465 . 1 . 1 53 53 TYR CB C 13 38.093 0.000 . 1 . . . . . 336 TYR CB . 50873 1 466 . 1 . 1 53 53 TYR N N 15 116.068 0.029 . 1 . . . . . 336 TYR N . 50873 1 467 . 1 . 1 54 54 SER H H 1 7.801 0.003 . 1 . . . . . 337 SER H . 50873 1 468 . 1 . 1 54 54 SER HA H 1 4.194 0.000 . 1 . . . . . 337 SER HA . 50873 1 469 . 1 . 1 54 54 SER HB2 H 1 3.933 0.000 . 1 . . . . . 337 SER HB2 . 50873 1 470 . 1 . 1 54 54 SER C C 13 174.251 0.000 . 1 . . . . . 337 SER C . 50873 1 471 . 1 . 1 54 54 SER CA C 13 59.218 0.010 . 1 . . . . . 337 SER CA . 50873 1 472 . 1 . 1 54 54 SER CB C 13 63.627 0.000 . 1 . . . . . 337 SER CB . 50873 1 473 . 1 . 1 54 54 SER N N 15 114.751 0.032 . 1 . . . . . 337 SER N . 50873 1 474 . 1 . 1 55 55 HIS H H 1 8.054 0.019 . 1 . . . . . 338 HIS H . 50873 1 475 . 1 . 1 55 55 HIS HA H 1 4.690 0.013 . 1 . . . . . 338 HIS HA . 50873 1 476 . 1 . 1 55 55 HIS HB2 H 1 3.350 0.058 . 2 . . . . . 338 HIS HB2 . 50873 1 477 . 1 . 1 55 55 HIS HB3 H 1 3.209 0.059 . 2 . . . . . 338 HIS HB3 . 50873 1 478 . 1 . 1 55 55 HIS C C 13 173.782 0.000 . 1 . . . . . 338 HIS C . 50873 1 479 . 1 . 1 55 55 HIS CA C 13 55.686 0.010 . 1 . . . . . 338 HIS CA . 50873 1 480 . 1 . 1 55 55 HIS CB C 13 29.443 0.015 . 1 . . . . . 338 HIS CB . 50873 1 481 . 1 . 1 55 55 HIS N N 15 119.762 0.078 . 1 . . . . . 338 HIS N . 50873 1 482 . 1 . 1 56 56 LYS H H 1 7.921 0.023 . 1 . . . . . 339 LYS H . 50873 1 483 . 1 . 1 56 56 LYS C C 13 181.661 0.000 . 1 . . . . . 339 LYS C . 50873 1 484 . 1 . 1 56 56 LYS CA C 13 57.890 0.000 . 1 . . . . . 339 LYS CA . 50873 1 485 . 1 . 1 56 56 LYS N N 15 128.069 0.065 . 1 . . . . . 339 LYS N . 50873 1 stop_ save_