################################### # 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 27288 _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' . . . 27288 1 3 '3D HNCA' . . . 27288 1 4 '3D HN(CO)CA' . . . 27288 1 5 '3D HNCACB' . . . 27288 1 6 '3D CBCA(CO)NH' . . . 27288 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.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 ASP C C 13 176.235 0.000 . 1 . . . . . 451 ASP C . 27288 1 2 . 1 1 2 2 ASP CA C 13 54.787 0.000 . 1 . . . . . 451 ASP CA . 27288 1 3 . 1 1 2 2 ASP CB C 13 41.769 0.000 . 1 . . . . . 451 ASP CB . 27288 1 4 . 1 1 3 3 VAL H H 1 8.261 0.003 . 1 . . . . . 452 VAL H . 27288 1 5 . 1 1 3 3 VAL C C 13 175.307 0.000 . 1 . . . . . 452 VAL C . 27288 1 6 . 1 1 3 3 VAL CA C 13 62.391 0.000 . 1 . . . . . 452 VAL CA . 27288 1 7 . 1 1 3 3 VAL CB C 13 32.997 0.000 . 1 . . . . . 452 VAL CB . 27288 1 8 . 1 1 3 3 VAL N N 15 120.454 0.026 . 1 . . . . . 452 VAL N . 27288 1 9 . 1 1 4 4 GLN H H 1 8.330 0.003 . 1 . . . . . 453 GLN H . 27288 1 10 . 1 1 4 4 GLN C C 13 175.410 0.000 . 1 . . . . . 453 GLN C . 27288 1 11 . 1 1 4 4 GLN CA C 13 55.124 0.000 . 1 . . . . . 453 GLN CA . 27288 1 12 . 1 1 4 4 GLN CB C 13 30.740 0.000 . 1 . . . . . 453 GLN CB . 27288 1 13 . 1 1 4 4 GLN N N 15 123.067 0.010 . 1 . . . . . 453 GLN N . 27288 1 14 . 1 1 5 5 VAL H H 1 8.586 0.004 . 1 . . . . . 454 VAL H . 27288 1 15 . 1 1 5 5 VAL C C 13 174.244 0.000 . 1 . . . . . 454 VAL C . 27288 1 16 . 1 1 5 5 VAL CA C 13 62.336 0.000 . 1 . . . . . 454 VAL CA . 27288 1 17 . 1 1 5 5 VAL CB C 13 29.907 0.000 . 1 . . . . . 454 VAL CB . 27288 1 18 . 1 1 5 5 VAL N N 15 123.552 0.007 . 1 . . . . . 454 VAL N . 27288 1 19 . 1 1 6 6 THR H H 1 6.715 0.005 . 1 . . . . . 455 THR H . 27288 1 20 . 1 1 6 6 THR C C 13 174.614 0.000 . 1 . . . . . 455 THR C . 27288 1 21 . 1 1 6 6 THR CA C 13 58.785 0.000 . 1 . . . . . 455 THR CA . 27288 1 22 . 1 1 6 6 THR CB C 13 72.744 0.000 . 1 . . . . . 455 THR CB . 27288 1 23 . 1 1 6 6 THR N N 15 113.707 0.030 . 1 . . . . . 455 THR N . 27288 1 24 . 1 1 7 7 GLU H H 1 9.159 0.004 . 1 . . . . . 456 GLU H . 27288 1 25 . 1 1 7 7 GLU C C 13 177.615 0.000 . 1 . . . . . 456 GLU C . 27288 1 26 . 1 1 7 7 GLU CA C 13 60.387 0.000 . 1 . . . . . 456 GLU CA . 27288 1 27 . 1 1 7 7 GLU CB C 13 29.960 0.000 . 1 . . . . . 456 GLU CB . 27288 1 28 . 1 1 7 7 GLU N N 15 122.111 0.031 . 1 . . . . . 456 GLU N . 27288 1 29 . 1 1 8 8 ASP H H 1 8.443 0.003 . 1 . . . . . 457 ASP H . 27288 1 30 . 1 1 8 8 ASP C C 13 177.927 0.000 . 1 . . . . . 457 ASP C . 27288 1 31 . 1 1 8 8 ASP CA C 13 57.423 0.000 . 1 . . . . . 457 ASP CA . 27288 1 32 . 1 1 8 8 ASP CB C 13 41.150 0.000 . 1 . . . . . 457 ASP CB . 27288 1 33 . 1 1 8 8 ASP N N 15 116.616 0.006 . 1 . . . . . 457 ASP N . 27288 1 34 . 1 1 9 9 ALA H H 1 7.849 0.004 . 1 . . . . . 458 ALA H . 27288 1 35 . 1 1 9 9 ALA C C 13 179.556 0.000 . 1 . . . . . 458 ALA C . 27288 1 36 . 1 1 9 9 ALA CA C 13 54.951 0.000 . 1 . . . . . 458 ALA CA . 27288 1 37 . 1 1 9 9 ALA CB C 13 18.982 0.000 . 1 . . . . . 458 ALA CB . 27288 1 38 . 1 1 9 9 ALA N N 15 121.555 0.018 . 1 . . . . . 458 ALA N . 27288 1 39 . 1 1 10 10 VAL H H 1 7.943 0.004 . 1 . . . . . 459 VAL H . 27288 1 40 . 1 1 10 10 VAL C C 13 177.334 0.001 . 1 . . . . . 459 VAL C . 27288 1 41 . 1 1 10 10 VAL CA C 13 67.722 0.000 . 1 . . . . . 459 VAL CA . 27288 1 42 . 1 1 10 10 VAL CB C 13 31.586 0.000 . 1 . . . . . 459 VAL CB . 27288 1 43 . 1 1 10 10 VAL N N 15 116.698 0.012 . 1 . . . . . 459 VAL N . 27288 1 44 . 1 1 11 11 ARG H H 1 8.758 0.003 . 1 . . . . . 460 ARG H . 27288 1 45 . 1 1 11 11 ARG C C 13 178.335 0.000 . 1 . . . . . 460 ARG C . 27288 1 46 . 1 1 11 11 ARG CA C 13 60.161 0.000 . 1 . . . . . 460 ARG CA . 27288 1 47 . 1 1 11 11 ARG CB C 13 30.175 0.000 . 1 . . . . . 460 ARG CB . 27288 1 48 . 1 1 11 11 ARG N N 15 119.567 0.011 . 1 . . . . . 460 ARG N . 27288 1 49 . 1 1 12 12 ARG H H 1 7.814 0.003 . 1 . . . . . 461 ARG H . 27288 1 50 . 1 1 12 12 ARG C C 13 179.416 0.000 . 1 . . . . . 461 ARG C . 27288 1 51 . 1 1 12 12 ARG CA C 13 59.578 0.000 . 1 . . . . . 461 ARG CA . 27288 1 52 . 1 1 12 12 ARG CB C 13 29.845 0.000 . 1 . . . . . 461 ARG CB . 27288 1 53 . 1 1 12 12 ARG N N 15 118.489 0.006 . 1 . . . . . 461 ARG N . 27288 1 54 . 1 1 13 13 TYR H H 1 7.675 0.004 . 1 . . . . . 462 TYR H . 27288 1 55 . 1 1 13 13 TYR C C 13 178.517 0.000 . 1 . . . . . 462 TYR C . 27288 1 56 . 1 1 13 13 TYR CA C 13 61.356 0.000 . 1 . . . . . 462 TYR CA . 27288 1 57 . 1 1 13 13 TYR CB C 13 37.771 0.000 . 1 . . . . . 462 TYR CB . 27288 1 58 . 1 1 13 13 TYR N N 15 117.248 0.019 . 1 . . . . . 462 TYR N . 27288 1 59 . 1 1 14 14 LEU H H 1 8.341 0.004 . 1 . . . . . 463 LEU H . 27288 1 60 . 1 1 14 14 LEU C C 13 178.603 0.000 . 1 . . . . . 463 LEU C . 27288 1 61 . 1 1 14 14 LEU CA C 13 56.563 0.000 . 1 . . . . . 463 LEU CA . 27288 1 62 . 1 1 14 14 LEU CB C 13 42.392 0.000 . 1 . . . . . 463 LEU CB . 27288 1 63 . 1 1 14 14 LEU N N 15 115.594 0.010 . 1 . . . . . 463 LEU N . 27288 1 64 . 1 1 15 15 THR H H 1 7.973 0.004 . 1 . . . . . 464 THR H . 27288 1 65 . 1 1 15 15 THR C C 13 175.779 0.000 . 1 . . . . . 464 THR C . 27288 1 66 . 1 1 15 15 THR CA C 13 63.473 0.000 . 1 . . . . . 464 THR CA . 27288 1 67 . 1 1 15 15 THR CB C 13 69.650 0.000 . 1 . . . . . 464 THR CB . 27288 1 68 . 1 1 15 15 THR N N 15 111.610 0.047 . 1 . . . . . 464 THR N . 27288 1 69 . 1 1 16 16 ARG H H 1 7.443 0.006 . 1 . . . . . 465 ARG H . 27288 1 70 . 1 1 16 16 ARG C C 13 176.700 0.000 . 1 . . . . . 465 ARG C . 27288 1 71 . 1 1 16 16 ARG CA C 13 58.376 0.000 . 1 . . . . . 465 ARG CA . 27288 1 72 . 1 1 16 16 ARG CB C 13 31.220 0.000 . 1 . . . . . 465 ARG CB . 27288 1 73 . 1 1 16 16 ARG N N 15 122.162 0.020 . 1 . . . . . 465 ARG N . 27288 1 74 . 1 1 17 17 LYS H H 1 7.874 0.003 . 1 . . . . . 466 LYS H . 27288 1 75 . 1 1 17 17 LYS CA C 13 54.443 0.000 . 1 . . . . . 466 LYS CA . 27288 1 76 . 1 1 17 17 LYS CB C 13 33.352 0.000 . 1 . . . . . 466 LYS CB . 27288 1 77 . 1 1 17 17 LYS N N 15 117.087 0.022 . 1 . . . . . 466 LYS N . 27288 1 78 . 1 1 18 18 PRO C C 13 178.178 0.000 . 1 . . . . . 467 PRO C . 27288 1 79 . 1 1 18 18 PRO CA C 13 62.214 0.000 . 1 . . . . . 467 PRO CA . 27288 1 80 . 1 1 18 18 PRO CB C 13 31.844 0.000 . 1 . . . . . 467 PRO CB . 27288 1 81 . 1 1 19 19 MET H H 1 8.928 0.002 . 1 . . . . . 468 MET H . 27288 1 82 . 1 1 19 19 MET C C 13 176.034 0.000 . 1 . . . . . 468 MET C . 27288 1 83 . 1 1 19 19 MET CA C 13 54.789 0.000 . 1 . . . . . 468 MET CA . 27288 1 84 . 1 1 19 19 MET CB C 13 38.677 0.000 . 1 . . . . . 468 MET CB . 27288 1 85 . 1 1 19 19 MET N N 15 121.146 0.006 . 1 . . . . . 468 MET N . 27288 1 86 . 1 1 20 20 THR H H 1 9.035 0.004 . 1 . . . . . 469 THR H . 27288 1 87 . 1 1 20 20 THR C C 13 175.961 0.000 . 1 . . . . . 469 THR C . 27288 1 88 . 1 1 20 20 THR CA C 13 60.149 0.000 . 1 . . . . . 469 THR CA . 27288 1 89 . 1 1 20 20 THR CB C 13 71.424 0.000 . 1 . . . . . 469 THR CB . 27288 1 90 . 1 1 20 20 THR N N 15 113.538 0.013 . 1 . . . . . 469 THR N . 27288 1 91 . 1 1 21 21 THR H H 1 9.080 0.003 . 1 . . . . . 470 THR H . 27288 1 92 . 1 1 21 21 THR C C 13 176.473 0.000 . 1 . . . . . 470 THR C . 27288 1 93 . 1 1 21 21 THR CA C 13 67.938 0.000 . 1 . . . . . 470 THR CA . 27288 1 94 . 1 1 21 21 THR N N 15 116.088 0.023 . 1 . . . . . 470 THR N . 27288 1 95 . 1 1 22 22 LYS H H 1 8.008 0.003 . 1 . . . . . 471 LYS H . 27288 1 96 . 1 1 22 22 LYS C C 13 178.701 0.000 . 1 . . . . . 471 LYS C . 27288 1 97 . 1 1 22 22 LYS CA C 13 59.995 0.000 . 1 . . . . . 471 LYS CA . 27288 1 98 . 1 1 22 22 LYS CB C 13 32.218 0.000 . 1 . . . . . 471 LYS CB . 27288 1 99 . 1 1 22 22 LYS N N 15 120.659 0.054 . 1 . . . . . 471 LYS N . 27288 1 100 . 1 1 23 23 ASP H H 1 7.956 0.002 . 1 . . . . . 472 ASP H . 27288 1 101 . 1 1 23 23 ASP C C 13 179.456 0.000 . 1 . . . . . 472 ASP C . 27288 1 102 . 1 1 23 23 ASP CA C 13 57.343 0.000 . 1 . . . . . 472 ASP CA . 27288 1 103 . 1 1 23 23 ASP CB C 13 41.157 0.000 . 1 . . . . . 472 ASP CB . 27288 1 104 . 1 1 23 23 ASP N N 15 120.006 0.008 . 1 . . . . . 472 ASP N . 27288 1 105 . 1 1 24 24 LEU H H 1 8.003 0.002 . 1 . . . . . 473 LEU H . 27288 1 106 . 1 1 24 24 LEU C C 13 178.323 0.000 . 1 . . . . . 473 LEU C . 27288 1 107 . 1 1 24 24 LEU CA C 13 57.890 0.000 . 1 . . . . . 473 LEU CA . 27288 1 108 . 1 1 24 24 LEU CB C 13 43.303 0.000 . 1 . . . . . 473 LEU CB . 27288 1 109 . 1 1 24 24 LEU N N 15 120.560 0.019 . 1 . . . . . 473 LEU N . 27288 1 110 . 1 1 25 25 LEU H H 1 8.488 0.003 . 1 . . . . . 474 LEU H . 27288 1 111 . 1 1 25 25 LEU C C 13 179.404 0.000 . 1 . . . . . 474 LEU C . 27288 1 112 . 1 1 25 25 LEU CA C 13 58.610 0.000 . 1 . . . . . 474 LEU CA . 27288 1 113 . 1 1 25 25 LEU CB C 13 41.618 0.000 . 1 . . . . . 474 LEU CB . 27288 1 114 . 1 1 25 25 LEU N N 15 119.552 0.141 . 1 . . . . . 474 LEU N . 27288 1 115 . 1 1 26 26 LYS H H 1 7.597 0.004 . 1 . . . . . 475 LYS H . 27288 1 116 . 1 1 26 26 LYS C C 13 178.796 0.000 . 1 . . . . . 475 LYS C . 27288 1 117 . 1 1 26 26 LYS CA C 13 58.842 0.000 . 1 . . . . . 475 LYS CA . 27288 1 118 . 1 1 26 26 LYS CB C 13 32.511 0.000 . 1 . . . . . 475 LYS CB . 27288 1 119 . 1 1 26 26 LYS N N 15 116.920 0.013 . 1 . . . . . 475 LYS N . 27288 1 120 . 1 1 27 27 LYS H H 1 7.328 0.004 . 1 . . . . . 476 LYS H . 27288 1 121 . 1 1 27 27 LYS C C 13 177.663 0.000 . 1 . . . . . 476 LYS C . 27288 1 122 . 1 1 27 27 LYS CA C 13 55.901 0.000 . 1 . . . . . 476 LYS CA . 27288 1 123 . 1 1 27 27 LYS CB C 13 30.843 0.000 . 1 . . . . . 476 LYS CB . 27288 1 124 . 1 1 27 27 LYS N N 15 115.625 0.009 . 1 . . . . . 476 LYS N . 27288 1 125 . 1 1 28 28 PHE H H 1 7.547 0.002 . 1 . . . . . 477 PHE H . 27288 1 126 . 1 1 28 28 PHE C C 13 175.693 0.000 . 1 . . . . . 477 PHE C . 27288 1 127 . 1 1 28 28 PHE CA C 13 58.092 0.000 . 1 . . . . . 477 PHE CA . 27288 1 128 . 1 1 28 28 PHE CB C 13 39.674 0.000 . 1 . . . . . 477 PHE CB . 27288 1 129 . 1 1 28 28 PHE N N 15 117.104 0.021 . 1 . . . . . 477 PHE N . 27288 1 130 . 1 1 29 29 GLN H H 1 8.212 0.003 . 1 . . . . . 478 GLN H . 27288 1 131 . 1 1 29 29 GLN C C 13 176.919 0.000 . 1 . . . . . 478 GLN C . 27288 1 132 . 1 1 29 29 GLN CA C 13 56.852 0.000 . 1 . . . . . 478 GLN CA . 27288 1 133 . 1 1 29 29 GLN CB C 13 29.225 0.000 . 1 . . . . . 478 GLN CB . 27288 1 134 . 1 1 29 29 GLN N N 15 120.858 0.139 . 1 . . . . . 478 GLN N . 27288 1 135 . 1 1 32 32 LYS H H 1 8.160 0.005 . 1 . . . . . 481 LYS H . 27288 1 136 . 1 1 32 32 LYS C C 13 176.947 0.000 . 1 . . . . . 481 LYS C . 27288 1 137 . 1 1 32 32 LYS N N 15 118.988 0.015 . 1 . . . . . 481 LYS N . 27288 1 138 . 1 1 33 33 THR H H 1 8.054 0.027 . 1 . . . . . 482 THR H . 27288 1 139 . 1 1 33 33 THR C C 13 176.338 0.000 . 1 . . . . . 482 THR C . 27288 1 140 . 1 1 33 33 THR CA C 13 62.043 0.000 . 1 . . . . . 482 THR CA . 27288 1 141 . 1 1 33 33 THR CB C 13 70.263 0.000 . 1 . . . . . 482 THR CB . 27288 1 142 . 1 1 33 33 THR N N 15 111.247 0.093 . 1 . . . . . 482 THR N . 27288 1 143 . 1 1 34 34 GLY H H 1 8.500 0.004 . 1 . . . . . 483 GLY H . 27288 1 144 . 1 1 34 34 GLY C C 13 173.874 0.000 . 1 . . . . . 483 GLY C . 27288 1 145 . 1 1 34 34 GLY CA C 13 45.625 0.000 . 1 . . . . . 483 GLY CA . 27288 1 146 . 1 1 34 34 GLY N N 15 110.596 0.015 . 1 . . . . . 483 GLY N . 27288 1 147 . 1 1 35 35 LEU H H 1 8.108 0.002 . 1 . . . . . 484 LEU H . 27288 1 148 . 1 1 35 35 LEU C C 13 177.551 0.000 . 1 . . . . . 484 LEU C . 27288 1 149 . 1 1 35 35 LEU CA C 13 54.020 0.000 . 1 . . . . . 484 LEU CA . 27288 1 150 . 1 1 35 35 LEU CB C 13 43.839 0.000 . 1 . . . . . 484 LEU CB . 27288 1 151 . 1 1 35 35 LEU N N 15 121.158 0.027 . 1 . . . . . 484 LEU N . 27288 1 152 . 1 1 36 36 SER H H 1 8.758 0.003 . 1 . . . . . 485 SER H . 27288 1 153 . 1 1 36 36 SER C C 13 176.563 0.000 . 1 . . . . . 485 SER C . 27288 1 154 . 1 1 36 36 SER CA C 13 57.487 0.000 . 1 . . . . . 485 SER CA . 27288 1 155 . 1 1 36 36 SER CB C 13 64.967 0.000 . 1 . . . . . 485 SER CB . 27288 1 156 . 1 1 36 36 SER N N 15 116.981 0.009 . 1 . . . . . 485 SER N . 27288 1 157 . 1 1 37 37 SER C C 13 176.063 0.000 . 1 . . . . . 486 SER C . 27288 1 158 . 1 1 37 37 SER CA C 13 61.830 0.000 . 1 . . . . . 486 SER CA . 27288 1 159 . 1 1 38 38 GLU H H 1 8.708 0.004 . 1 . . . . . 487 GLU H . 27288 1 160 . 1 1 38 38 GLU C C 13 178.864 0.000 . 1 . . . . . 487 GLU C . 27288 1 161 . 1 1 38 38 GLU CA C 13 59.667 0.000 . 1 . . . . . 487 GLU CA . 27288 1 162 . 1 1 38 38 GLU CB C 13 29.437 0.000 . 1 . . . . . 487 GLU CB . 27288 1 163 . 1 1 38 38 GLU N N 15 121.297 0.004 . 1 . . . . . 487 GLU N . 27288 1 164 . 1 1 39 39 GLN H H 1 7.994 0.004 . 1 . . . . . 488 GLN H . 27288 1 165 . 1 1 39 39 GLN C C 13 178.567 0.000 . 1 . . . . . 488 GLN C . 27288 1 166 . 1 1 39 39 GLN CA C 13 58.591 0.000 . 1 . . . . . 488 GLN CA . 27288 1 167 . 1 1 39 39 GLN CB C 13 29.249 0.000 . 1 . . . . . 488 GLN CB . 27288 1 168 . 1 1 39 39 GLN N N 15 118.350 0.019 . 1 . . . . . 488 GLN N . 27288 1 169 . 1 1 40 40 THR H H 1 8.229 0.006 . 1 . . . . . 489 THR H . 27288 1 170 . 1 1 40 40 THR C C 13 175.473 0.000 . 1 . . . . . 489 THR C . 27288 1 171 . 1 1 40 40 THR CA C 13 67.443 0.000 . 1 . . . . . 489 THR CA . 27288 1 172 . 1 1 40 40 THR N N 15 117.108 0.015 . 1 . . . . . 489 THR N . 27288 1 173 . 1 1 41 41 VAL H H 1 8.095 0.007 . 1 . . . . . 490 VAL H . 27288 1 174 . 1 1 41 41 VAL C C 13 177.874 0.000 . 1 . . . . . 490 VAL C . 27288 1 175 . 1 1 41 41 VAL CA C 13 67.107 0.000 . 1 . . . . . 490 VAL CA . 27288 1 176 . 1 1 41 41 VAL CB C 13 31.658 0.000 . 1 . . . . . 490 VAL CB . 27288 1 177 . 1 1 41 41 VAL N N 15 120.701 0.014 . 1 . . . . . 490 VAL N . 27288 1 178 . 1 1 42 42 ASN H H 1 7.611 0.004 . 1 . . . . . 491 ASN H . 27288 1 179 . 1 1 42 42 ASN C C 13 177.931 0.000 . 1 . . . . . 491 ASN C . 27288 1 180 . 1 1 42 42 ASN CA C 13 56.334 0.000 . 1 . . . . . 491 ASN CA . 27288 1 181 . 1 1 42 42 ASN CB C 13 38.373 0.000 . 1 . . . . . 491 ASN CB . 27288 1 182 . 1 1 42 42 ASN N N 15 118.309 0.033 . 1 . . . . . 491 ASN N . 27288 1 183 . 1 1 43 43 VAL H H 1 8.263 0.004 . 1 . . . . . 492 VAL H . 27288 1 184 . 1 1 43 43 VAL C C 13 178.575 0.000 . 1 . . . . . 492 VAL C . 27288 1 185 . 1 1 43 43 VAL CA C 13 66.221 0.000 . 1 . . . . . 492 VAL CA . 27288 1 186 . 1 1 43 43 VAL CB C 13 31.745 0.000 . 1 . . . . . 492 VAL CB . 27288 1 187 . 1 1 43 43 VAL N N 15 121.489 0.009 . 1 . . . . . 492 VAL N . 27288 1 188 . 1 1 44 44 LEU H H 1 8.463 0.003 . 1 . . . . . 493 LEU H . 27288 1 189 . 1 1 44 44 LEU C C 13 178.036 0.000 . 1 . . . . . 493 LEU C . 27288 1 190 . 1 1 44 44 LEU CA C 13 58.072 0.000 . 1 . . . . . 493 LEU CA . 27288 1 191 . 1 1 44 44 LEU CB C 13 41.713 0.000 . 1 . . . . . 493 LEU CB . 27288 1 192 . 1 1 44 44 LEU N N 15 120.274 0.027 . 1 . . . . . 493 LEU N . 27288 1 193 . 1 1 45 45 ALA H H 1 8.185 0.003 . 1 . . . . . 494 ALA H . 27288 1 194 . 1 1 45 45 ALA C C 13 181.006 0.000 . 1 . . . . . 494 ALA C . 27288 1 195 . 1 1 45 45 ALA CA C 13 55.547 0.000 . 1 . . . . . 494 ALA CA . 27288 1 196 . 1 1 45 45 ALA CB C 13 17.998 0.000 . 1 . . . . . 494 ALA CB . 27288 1 197 . 1 1 45 45 ALA N N 15 119.907 0.011 . 1 . . . . . 494 ALA N . 27288 1 198 . 1 1 46 46 GLN H H 1 7.549 0.003 . 1 . . . . . 495 GLN H . 27288 1 199 . 1 1 46 46 GLN C C 13 179.020 0.000 . 1 . . . . . 495 GLN C . 27288 1 200 . 1 1 46 46 GLN CA C 13 58.710 0.000 . 1 . . . . . 495 GLN CA . 27288 1 201 . 1 1 46 46 GLN CB C 13 28.393 0.000 . 1 . . . . . 495 GLN CB . 27288 1 202 . 1 1 46 46 GLN N N 15 117.445 0.014 . 1 . . . . . 495 GLN N . 27288 1 203 . 1 1 47 47 ILE H H 1 8.152 0.003 . 1 . . . . . 496 ILE H . 27288 1 204 . 1 1 47 47 ILE C C 13 178.061 0.000 . 1 . . . . . 496 ILE C . 27288 1 205 . 1 1 47 47 ILE CA C 13 65.357 0.000 . 1 . . . . . 496 ILE CA . 27288 1 206 . 1 1 47 47 ILE CB C 13 38.204 0.000 . 1 . . . . . 496 ILE CB . 27288 1 207 . 1 1 47 47 ILE N N 15 121.615 0.011 . 1 . . . . . 496 ILE N . 27288 1 208 . 1 1 48 48 LEU H H 1 8.793 0.003 . 1 . . . . . 497 LEU H . 27288 1 209 . 1 1 48 48 LEU C C 13 179.467 0.000 . 1 . . . . . 497 LEU C . 27288 1 210 . 1 1 48 48 LEU CA C 13 58.376 0.000 . 1 . . . . . 497 LEU CA . 27288 1 211 . 1 1 48 48 LEU CB C 13 40.900 0.000 . 1 . . . . . 497 LEU CB . 27288 1 212 . 1 1 48 48 LEU N N 15 119.228 0.008 . 1 . . . . . 497 LEU N . 27288 1 213 . 1 1 49 49 LYS H H 1 7.556 0.003 . 1 . . . . . 498 LYS H . 27288 1 214 . 1 1 49 49 LYS C C 13 178.803 0.000 . 1 . . . . . 498 LYS C . 27288 1 215 . 1 1 49 49 LYS CA C 13 59.221 0.000 . 1 . . . . . 498 LYS CA . 27288 1 216 . 1 1 49 49 LYS CB C 13 32.320 0.000 . 1 . . . . . 498 LYS CB . 27288 1 217 . 1 1 49 49 LYS N N 15 118.664 0.089 . 1 . . . . . 498 LYS N . 27288 1 218 . 1 1 50 50 ARG H H 1 7.408 0.003 . 1 . . . . . 499 ARG H . 27288 1 219 . 1 1 50 50 ARG C C 13 178.448 0.000 . 1 . . . . . 499 ARG C . 27288 1 220 . 1 1 50 50 ARG CA C 13 58.834 0.000 . 1 . . . . . 499 ARG CA . 27288 1 221 . 1 1 50 50 ARG CB C 13 30.426 0.000 . 1 . . . . . 499 ARG CB . 27288 1 222 . 1 1 50 50 ARG N N 15 118.151 0.015 . 1 . . . . . 499 ARG N . 27288 1 223 . 1 1 51 51 LEU H H 1 8.208 0.004 . 1 . . . . . 500 LEU H . 27288 1 224 . 1 1 51 51 LEU C C 13 176.444 0.000 . 1 . . . . . 500 LEU C . 27288 1 225 . 1 1 51 51 LEU CA C 13 56.158 0.000 . 1 . . . . . 500 LEU CA . 27288 1 226 . 1 1 51 51 LEU CB C 13 43.716 0.000 . 1 . . . . . 500 LEU CB . 27288 1 227 . 1 1 51 51 LEU N N 15 117.084 0.019 . 1 . . . . . 500 LEU N . 27288 1 228 . 1 1 52 52 ASN H H 1 7.822 0.004 . 1 . . . . . 501 ASN H . 27288 1 229 . 1 1 52 52 ASN C C 13 171.371 0.000 . 1 . . . . . 501 ASN C . 27288 1 230 . 1 1 52 52 ASN CA C 13 53.391 0.000 . 1 . . . . . 501 ASN CA . 27288 1 231 . 1 1 52 52 ASN CB C 13 37.964 0.000 . 1 . . . . . 501 ASN CB . 27288 1 232 . 1 1 52 52 ASN N N 15 112.618 0.014 . 1 . . . . . 501 ASN N . 27288 1 233 . 1 1 53 53 PRO C C 13 176.642 0.000 . 1 . . . . . 502 PRO C . 27288 1 234 . 1 1 53 53 PRO CA C 13 62.243 0.000 . 1 . . . . . 502 PRO CA . 27288 1 235 . 1 1 53 53 PRO CB C 13 32.561 0.000 . 1 . . . . . 502 PRO CB . 27288 1 236 . 1 1 54 54 GLU H H 1 8.378 0.004 . 1 . . . . . 503 GLU H . 27288 1 237 . 1 1 54 54 GLU C C 13 175.900 0.000 . 1 . . . . . 503 GLU C . 27288 1 238 . 1 1 54 54 GLU CA C 13 57.273 0.000 . 1 . . . . . 503 GLU CA . 27288 1 239 . 1 1 54 54 GLU CB C 13 30.294 0.000 . 1 . . . . . 503 GLU CB . 27288 1 240 . 1 1 54 54 GLU N N 15 120.172 0.005 . 1 . . . . . 503 GLU N . 27288 1 241 . 1 1 55 55 ARG H H 1 8.424 0.004 . 1 . . . . . 504 ARG H . 27288 1 242 . 1 1 55 55 ARG C C 13 175.963 0.000 . 1 . . . . . 504 ARG C . 27288 1 243 . 1 1 55 55 ARG CA C 13 54.788 0.000 . 1 . . . . . 504 ARG CA . 27288 1 244 . 1 1 55 55 ARG CB C 13 31.995 0.000 . 1 . . . . . 504 ARG CB . 27288 1 245 . 1 1 55 55 ARG N N 15 123.065 0.016 . 1 . . . . . 504 ARG N . 27288 1 246 . 1 1 56 56 LYS H H 1 8.914 0.003 . 1 . . . . . 505 LYS H . 27288 1 247 . 1 1 56 56 LYS C C 13 174.813 0.000 . 1 . . . . . 505 LYS C . 27288 1 248 . 1 1 56 56 LYS CA C 13 54.780 0.000 . 1 . . . . . 505 LYS CA . 27288 1 249 . 1 1 56 56 LYS CB C 13 36.237 0.000 . 1 . . . . . 505 LYS CB . 27288 1 250 . 1 1 56 56 LYS N N 15 123.772 0.023 . 1 . . . . . 505 LYS N . 27288 1 251 . 1 1 57 57 MET H H 1 8.777 0.003 . 1 . . . . . 506 MET H . 27288 1 252 . 1 1 57 57 MET C C 13 176.042 0.000 . 1 . . . . . 506 MET C . 27288 1 253 . 1 1 57 57 MET CA C 13 54.320 0.000 . 1 . . . . . 506 MET CA . 27288 1 254 . 1 1 57 57 MET CB C 13 31.097 0.000 . 1 . . . . . 506 MET CB . 27288 1 255 . 1 1 57 57 MET N N 15 124.848 0.005 . 1 . . . . . 506 MET N . 27288 1 256 . 1 1 58 58 ILE H H 1 8.423 0.004 . 1 . . . . . 507 ILE H . 27288 1 257 . 1 1 58 58 ILE C C 13 176.015 0.000 . 1 . . . . . 507 ILE C . 27288 1 258 . 1 1 58 58 ILE CA C 13 61.194 0.000 . 1 . . . . . 507 ILE CA . 27288 1 259 . 1 1 58 58 ILE CB C 13 40.164 0.000 . 1 . . . . . 507 ILE CB . 27288 1 260 . 1 1 58 58 ILE N N 15 126.394 0.020 . 1 . . . . . 507 ILE N . 27288 1 261 . 1 1 59 59 ASN H H 1 9.413 0.003 . 1 . . . . . 508 ASN H . 27288 1 262 . 1 1 59 59 ASN C C 13 174.213 0.000 . 1 . . . . . 508 ASN C . 27288 1 263 . 1 1 59 59 ASN CA C 13 54.845 0.000 . 1 . . . . . 508 ASN CA . 27288 1 264 . 1 1 59 59 ASN CB C 13 37.181 0.000 . 1 . . . . . 508 ASN CB . 27288 1 265 . 1 1 59 59 ASN N N 15 126.371 0.010 . 1 . . . . . 508 ASN N . 27288 1 266 . 1 1 60 60 ASP H H 1 8.695 0.004 . 1 . . . . . 509 ASP H . 27288 1 267 . 1 1 60 60 ASP C C 13 174.893 0.000 . 1 . . . . . 509 ASP C . 27288 1 268 . 1 1 60 60 ASP CA C 13 56.147 0.000 . 1 . . . . . 509 ASP CA . 27288 1 269 . 1 1 60 60 ASP CB C 13 40.211 0.000 . 1 . . . . . 509 ASP CB . 27288 1 270 . 1 1 60 60 ASP N N 15 109.670 0.008 . 1 . . . . . 509 ASP N . 27288 1 271 . 1 1 61 61 LYS H H 1 7.856 0.006 . 1 . . . . . 510 LYS H . 27288 1 272 . 1 1 61 61 LYS C C 13 176.981 0.000 . 1 . . . . . 510 LYS C . 27288 1 273 . 1 1 61 61 LYS CA C 13 54.740 0.000 . 1 . . . . . 510 LYS CA . 27288 1 274 . 1 1 61 61 LYS CB C 13 36.398 0.000 . 1 . . . . . 510 LYS CB . 27288 1 275 . 1 1 61 61 LYS N N 15 117.806 0.048 . 1 . . . . . 510 LYS N . 27288 1 276 . 1 1 62 62 MET H H 1 9.129 0.000 . 1 . . . . . 511 MET H . 27288 1 277 . 1 1 62 62 MET C C 13 174.821 0.000 . 1 . . . . . 511 MET C . 27288 1 278 . 1 1 62 62 MET CA C 13 56.815 0.000 . 1 . . . . . 511 MET CA . 27288 1 279 . 1 1 62 62 MET CB C 13 31.375 0.000 . 1 . . . . . 511 MET CB . 27288 1 280 . 1 1 62 62 MET N N 15 128.502 0.000 . 1 . . . . . 511 MET N . 27288 1 281 . 1 1 63 63 HIS H H 1 9.346 0.004 . 1 . . . . . 512 HIS H . 27288 1 282 . 1 1 63 63 HIS C C 13 173.261 0.000 . 1 . . . . . 512 HIS C . 27288 1 283 . 1 1 63 63 HIS CA C 13 54.913 0.000 . 1 . . . . . 512 HIS CA . 27288 1 284 . 1 1 63 63 HIS CB C 13 32.126 0.000 . 1 . . . . . 512 HIS CB . 27288 1 285 . 1 1 63 63 HIS N N 15 126.593 0.023 . 1 . . . . . 512 HIS N . 27288 1 286 . 1 1 64 64 PHE H H 1 9.045 0.004 . 1 . . . . . 513 PHE H . 27288 1 287 . 1 1 64 64 PHE C C 13 175.555 0.000 . 1 . . . . . 513 PHE C . 27288 1 288 . 1 1 64 64 PHE CA C 13 56.110 0.000 . 1 . . . . . 513 PHE CA . 27288 1 289 . 1 1 64 64 PHE CB C 13 42.452 0.000 . 1 . . . . . 513 PHE CB . 27288 1 290 . 1 1 64 64 PHE N N 15 120.302 0.017 . 1 . . . . . 513 PHE N . 27288 1 291 . 1 1 65 65 SER H H 1 8.772 0.004 . 1 . . . . . 514 SER H . 27288 1 292 . 1 1 65 65 SER C C 13 171.946 0.000 . 1 . . . . . 514 SER C . 27288 1 293 . 1 1 65 65 SER CA C 13 57.781 0.000 . 1 . . . . . 514 SER CA . 27288 1 294 . 1 1 65 65 SER CB C 13 65.870 0.000 . 1 . . . . . 514 SER CB . 27288 1 295 . 1 1 65 65 SER N N 15 113.197 0.014 . 1 . . . . . 514 SER N . 27288 1 296 . 1 1 66 66 LEU H H 1 7.415 0.009 . 1 . . . . . 515 LEU H . 27288 1 297 . 1 1 66 66 LEU C C 13 175.536 0.000 . 1 . . . . . 515 LEU C . 27288 1 298 . 1 1 66 66 LEU CA C 13 53.331 0.000 . 1 . . . . . 515 LEU CA . 27288 1 299 . 1 1 66 66 LEU CB C 13 46.523 0.000 . 1 . . . . . 515 LEU CB . 27288 1 300 . 1 1 66 66 LEU N N 15 123.003 0.090 . 1 . . . . . 515 LEU N . 27288 1 301 . 1 1 67 67 LYS H H 1 8.481 0.004 . 1 . . . . . 516 LYS H . 27288 1 302 . 1 1 67 67 LYS C C 13 175.868 0.000 . 1 . . . . . 516 LYS C . 27288 1 303 . 1 1 67 67 LYS CA C 13 56.455 0.000 . 1 . . . . . 516 LYS CA . 27288 1 304 . 1 1 67 67 LYS CB C 13 33.800 0.000 . 1 . . . . . 516 LYS CB . 27288 1 305 . 1 1 67 67 LYS N N 15 121.409 0.013 . 1 . . . . . 516 LYS N . 27288 1 306 . 1 1 68 68 GLU H H 1 8.064 0.003 . 1 . . . . . 517 GLU H . 27288 1 307 . 1 1 68 68 GLU C C 13 175.873 0.000 . 1 . . . . . 517 GLU C . 27288 1 308 . 1 1 68 68 GLU CA C 13 58.032 0.000 . 1 . . . . . 517 GLU CA . 27288 1 309 . 1 1 68 68 GLU CB C 13 31.093 0.000 . 1 . . . . . 517 GLU CB . 27288 1 310 . 1 1 68 68 GLU N N 15 126.347 0.006 . 1 . . . . . 517 GLU N . 27288 1 stop_ save_