################################### # 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 51476 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'AR NTDcterm 4G' _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-15N HSQC' . . . 51476 1 2 '3D HNCO' . . . 51476 1 3 '3D HN(CA)CO' . . . 51476 1 4 '3D HNCA' . . . 51476 1 5 '3D HN(CO)CA' . . . 51476 1 6 '3D CBCA(CO)NH' . . . 51476 1 7 '3D CBCANH' . . . 51476 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 . . 51476 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 1 1 GLU C C 13 177.103 0.000 . 1 . . . . . 441 GLU C . 51476 1 2 . 1 . 1 1 1 GLU CA C 13 56.854 0.000 . 1 . . . . . 441 GLU CA . 51476 1 3 . 1 . 1 1 1 GLU CB C 13 30.281 0.000 . 1 . . . . . 441 GLU CB . 51476 1 4 . 1 . 1 2 2 GLY H H 1 8.768 0.001 . 1 . . . . . 442 GLY H . 51476 1 5 . 1 . 1 2 2 GLY C C 13 173.961 0.000 . 1 . . . . . 442 GLY C . 51476 1 6 . 1 . 1 2 2 GLY CA C 13 45.228 0.000 . 1 . . . . . 442 GLY CA . 51476 1 7 . 1 . 1 2 2 GLY N N 15 110.748 0.013 . 1 . . . . . 442 GLY N . 51476 1 8 . 1 . 1 3 3 GLN H H 1 8.286 0.001 . 1 . . . . . 443 GLN H . 51476 1 9 . 1 . 1 3 3 GLN C C 13 175.725 0.000 . 1 . . . . . 443 GLN C . 51476 1 10 . 1 . 1 3 3 GLN CA C 13 55.849 0.000 . 1 . . . . . 443 GLN CA . 51476 1 11 . 1 . 1 3 3 GLN CB C 13 29.497 0.000 . 1 . . . . . 443 GLN CB . 51476 1 12 . 1 . 1 3 3 GLN N N 15 120.042 0.023 . 1 . . . . . 443 GLN N . 51476 1 13 . 1 . 1 4 4 LEU H H 1 8.385 0.000 . 1 . . . . . 444 LEU H . 51476 1 14 . 1 . 1 4 4 LEU C C 13 176.904 0.000 . 1 . . . . . 444 LEU C . 51476 1 15 . 1 . 1 4 4 LEU CA C 13 55.364 0.000 . 1 . . . . . 444 LEU CA . 51476 1 16 . 1 . 1 4 4 LEU CB C 13 42.455 0.000 . 1 . . . . . 444 LEU CB . 51476 1 17 . 1 . 1 4 4 LEU N N 15 123.878 0.006 . 1 . . . . . 444 LEU N . 51476 1 18 . 1 . 1 5 5 TYR H H 1 8.317 0.000 . 1 . . . . . 445 TYR H . 51476 1 19 . 1 . 1 5 5 TYR C C 13 175.937 0.000 . 1 . . . . . 445 TYR C . 51476 1 20 . 1 . 1 5 5 TYR CA C 13 57.480 0.000 . 1 . . . . . 445 TYR CA . 51476 1 21 . 1 . 1 5 5 TYR CB C 13 39.091 0.000 . 1 . . . . . 445 TYR CB . 51476 1 22 . 1 . 1 5 5 TYR N N 15 120.290 0.000 . 1 . . . . . 445 TYR N . 51476 1 23 . 1 . 1 6 6 GLY H H 1 8.251 0.002 . 1 . . . . . 446 GLY H . 51476 1 24 . 1 . 1 6 6 GLY C C 13 171.767 0.000 . 1 . . . . . 446 GLY C . 51476 1 25 . 1 . 1 6 6 GLY CA C 13 44.573 0.000 . 1 . . . . . 446 GLY CA . 51476 1 26 . 1 . 1 6 6 GLY N N 15 110.097 0.011 . 1 . . . . . 446 GLY N . 51476 1 27 . 1 . 1 7 7 PRO C C 13 177.464 0.000 . 1 . . . . . 447 PRO C . 51476 1 28 . 1 . 1 7 7 PRO CA C 13 63.416 0.000 . 1 . . . . . 447 PRO CA . 51476 1 29 . 1 . 1 7 7 PRO CB C 13 32.095 0.000 . 1 . . . . . 447 PRO CB . 51476 1 30 . 1 . 1 8 8 CYS H H 1 8.706 0.001 . 1 . . . . . 448 CYS H . 51476 1 31 . 1 . 1 8 8 CYS C C 13 175.395 0.000 . 1 . . . . . 448 CYS C . 51476 1 32 . 1 . 1 8 8 CYS CA C 13 58.741 0.006 . 1 . . . . . 448 CYS CA . 51476 1 33 . 1 . 1 8 8 CYS CB C 13 27.996 0.000 . 1 . . . . . 448 CYS CB . 51476 1 34 . 1 . 1 8 8 CYS N N 15 119.492 0.007 . 1 . . . . . 448 CYS N . 51476 1 35 . 1 . 1 9 9 GLY H H 1 8.561 0.001 . 1 . . . . . 449 GLY H . 51476 1 36 . 1 . 1 9 9 GLY C C 13 174.564 0.003 . 1 . . . . . 449 GLY C . 51476 1 37 . 1 . 1 9 9 GLY CA C 13 45.392 0.000 . 1 . . . . . 449 GLY CA . 51476 1 38 . 1 . 1 9 9 GLY N N 15 111.381 0.007 . 1 . . . . . 449 GLY N . 51476 1 39 . 1 . 1 10 10 GLY H H 1 8.472 0.002 . 1 . . . . . 450 GLY H . 51476 1 40 . 1 . 1 10 10 GLY C C 13 174.572 0.000 . 1 . . . . . 450 GLY C . 51476 1 41 . 1 . 1 10 10 GLY CA C 13 45.225 0.000 . 1 . . . . . 450 GLY CA . 51476 1 42 . 1 . 1 10 10 GLY N N 15 109.080 0.014 . 1 . . . . . 450 GLY N . 51476 1 43 . 1 . 1 11 11 GLY H H 1 8.473 0.001 . 1 . . . . . 451 GLY H . 51476 1 44 . 1 . 1 11 11 GLY C C 13 174.745 0.000 . 1 . . . . . 451 GLY C . 51476 1 45 . 1 . 1 11 11 GLY CA C 13 45.201 0.000 . 1 . . . . . 451 GLY CA . 51476 1 46 . 1 . 1 11 11 GLY N N 15 109.107 0.049 . 1 . . . . . 451 GLY N . 51476 1 47 . 1 . 1 12 12 GLY H H 1 8.418 0.007 . 1 . . . . . 452 GLY H . 51476 1 48 . 1 . 1 12 12 GLY C C 13 174.275 0.000 . 1 . . . . . 452 GLY C . 51476 1 49 . 1 . 1 12 12 GLY CA C 13 45.040 0.000 . 1 . . . . . 452 GLY CA . 51476 1 50 . 1 . 1 12 12 GLY N N 15 108.950 0.010 . 1 . . . . . 452 GLY N . 51476 1 51 . 1 . 1 13 13 GLU H H 1 8.556 0.001 . 1 . . . . . 453 GLU H . 51476 1 52 . 1 . 1 13 13 GLU C C 13 176.707 0.000 . 1 . . . . . 453 GLU C . 51476 1 53 . 1 . 1 13 13 GLU CA C 13 56.629 0.000 . 1 . . . . . 453 GLU CA . 51476 1 54 . 1 . 1 13 13 GLU CB C 13 30.114 0.000 . 1 . . . . . 453 GLU CB . 51476 1 55 . 1 . 1 13 13 GLU N N 15 121.036 0.017 . 1 . . . . . 453 GLU N . 51476 1 56 . 1 . 1 14 14 ALA H H 1 8.582 0.000 . 1 . . . . . 454 ALA H . 51476 1 57 . 1 . 1 14 14 ALA C C 13 178.430 0.000 . 1 . . . . . 454 ALA C . 51476 1 58 . 1 . 1 14 14 ALA CA C 13 52.987 0.000 . 1 . . . . . 454 ALA CA . 51476 1 59 . 1 . 1 14 14 ALA CB C 13 18.841 0.000 . 1 . . . . . 454 ALA CB . 51476 1 60 . 1 . 1 14 14 ALA N N 15 125.304 0.013 . 1 . . . . . 454 ALA N . 51476 1 61 . 1 . 1 15 15 GLY H H 1 8.435 0.001 . 1 . . . . . 455 GLY H . 51476 1 62 . 1 . 1 15 15 GLY C C 13 173.776 0.000 . 1 . . . . . 455 GLY C . 51476 1 63 . 1 . 1 15 15 GLY CA C 13 45.133 0.000 . 1 . . . . . 455 GLY CA . 51476 1 64 . 1 . 1 15 15 GLY N N 15 108.336 0.009 . 1 . . . . . 455 GLY N . 51476 1 65 . 1 . 1 16 16 ALA H H 1 8.098 0.000 . 1 . . . . . 456 ALA H . 51476 1 66 . 1 . 1 16 16 ALA C C 13 177.691 0.000 . 1 . . . . . 456 ALA C . 51476 1 67 . 1 . 1 16 16 ALA CA C 13 52.398 0.000 . 1 . . . . . 456 ALA CA . 51476 1 68 . 1 . 1 16 16 ALA CB C 13 19.376 0.000 . 1 . . . . . 456 ALA CB . 51476 1 69 . 1 . 1 16 16 ALA N N 15 123.678 0.018 . 1 . . . . . 456 ALA N . 51476 1 70 . 1 . 1 17 17 VAL H H 1 8.234 0.000 . 1 . . . . . 457 VAL H . 51476 1 71 . 1 . 1 17 17 VAL C C 13 175.604 0.000 . 1 . . . . . 457 VAL C . 51476 1 72 . 1 . 1 17 17 VAL CA C 13 61.889 0.000 . 1 . . . . . 457 VAL CA . 51476 1 73 . 1 . 1 17 17 VAL CB C 13 32.902 0.000 . 1 . . . . . 457 VAL CB . 51476 1 74 . 1 . 1 17 17 VAL N N 15 119.828 0.007 . 1 . . . . . 457 VAL N . 51476 1 75 . 1 . 1 18 18 ALA H H 1 8.485 0.001 . 1 . . . . . 458 ALA H . 51476 1 76 . 1 . 1 18 18 ALA C C 13 175.392 0.000 . 1 . . . . . 458 ALA C . 51476 1 77 . 1 . 1 18 18 ALA CA C 13 50.404 0.000 . 1 . . . . . 458 ALA CA . 51476 1 78 . 1 . 1 18 18 ALA CB C 13 18.133 0.000 . 1 . . . . . 458 ALA CB . 51476 1 79 . 1 . 1 18 18 ALA N N 15 129.593 0.004 . 1 . . . . . 458 ALA N . 51476 1 80 . 1 . 1 19 19 PRO C C 13 177.862 0.000 . 1 . . . . . 459 PRO C . 51476 1 81 . 1 . 1 19 19 PRO CA C 13 63.008 0.000 . 1 . . . . . 459 PRO CA . 51476 1 82 . 1 . 1 19 19 PRO CB C 13 31.831 0.000 . 1 . . . . . 459 PRO CB . 51476 1 83 . 1 . 1 20 20 TYR H H 1 8.323 0.002 . 1 . . . . . 460 TYR H . 51476 1 84 . 1 . 1 20 20 TYR C C 13 176.532 0.000 . 1 . . . . . 460 TYR C . 51476 1 85 . 1 . 1 20 20 TYR CA C 13 58.392 0.000 . 1 . . . . . 460 TYR CA . 51476 1 86 . 1 . 1 20 20 TYR CB C 13 38.400 0.000 . 1 . . . . . 460 TYR CB . 51476 1 87 . 1 . 1 20 20 TYR N N 15 120.322 0.087 . 1 . . . . . 460 TYR N . 51476 1 88 . 1 . 1 21 21 GLY H H 1 8.296 0.001 . 1 . . . . . 461 GLY H . 51476 1 89 . 1 . 1 21 21 GLY C C 13 173.469 0.000 . 1 . . . . . 461 GLY C . 51476 1 90 . 1 . 1 21 21 GLY CA C 13 45.134 0.000 . 1 . . . . . 461 GLY CA . 51476 1 91 . 1 . 1 21 21 GLY N N 15 111.509 0.013 . 1 . . . . . 461 GLY N . 51476 1 92 . 1 . 1 22 22 TYR H H 1 7.981 0.002 . 1 . . . . . 462 TYR H . 51476 1 93 . 1 . 1 22 22 TYR C C 13 175.675 0.000 . 1 . . . . . 462 TYR C . 51476 1 94 . 1 . 1 22 22 TYR CA C 13 58.142 0.000 . 1 . . . . . 462 TYR CA . 51476 1 95 . 1 . 1 22 22 TYR CB C 13 39.149 0.000 . 1 . . . . . 462 TYR CB . 51476 1 96 . 1 . 1 22 22 TYR N N 15 120.346 0.011 . 1 . . . . . 462 TYR N . 51476 1 97 . 1 . 1 23 23 THR H H 1 8.114 0.001 . 1 . . . . . 463 THR H . 51476 1 98 . 1 . 1 23 23 THR C C 13 173.254 0.000 . 1 . . . . . 463 THR C . 51476 1 99 . 1 . 1 23 23 THR CA C 13 61.384 0.000 . 1 . . . . . 463 THR CA . 51476 1 100 . 1 . 1 23 23 THR CB C 13 70.238 0.000 . 1 . . . . . 463 THR CB . 51476 1 101 . 1 . 1 23 23 THR N N 15 118.350 0.011 . 1 . . . . . 463 THR N . 51476 1 102 . 1 . 1 24 24 ARG H H 1 8.423 0.007 . 1 . . . . . 464 ARG H . 51476 1 103 . 1 . 1 24 24 ARG C C 13 173.644 0.000 . 1 . . . . . 464 ARG C . 51476 1 104 . 1 . 1 24 24 ARG CA C 13 54.038 0.000 . 1 . . . . . 464 ARG CA . 51476 1 105 . 1 . 1 24 24 ARG CB C 13 30.165 0.000 . 1 . . . . . 464 ARG CB . 51476 1 106 . 1 . 1 24 24 ARG N N 15 125.541 0.022 . 1 . . . . . 464 ARG N . 51476 1 107 . 1 . 1 26 26 PRO C C 13 176.871 0.000 . 1 . . . . . 466 PRO C . 51476 1 108 . 1 . 1 26 26 PRO CA C 13 63.179 0.000 . 1 . . . . . 466 PRO CA . 51476 1 109 . 1 . 1 26 26 PRO CB C 13 31.968 0.000 . 1 . . . . . 466 PRO CB . 51476 1 110 . 1 . 1 27 27 GLN H H 1 8.621 0.001 . 1 . . . . . 467 GLN H . 51476 1 111 . 1 . 1 27 27 GLN C C 13 176.481 0.000 . 1 . . . . . 467 GLN C . 51476 1 112 . 1 . 1 27 27 GLN CA C 13 55.882 0.000 . 1 . . . . . 467 GLN CA . 51476 1 113 . 1 . 1 27 27 GLN CB C 13 29.805 0.000 . 1 . . . . . 467 GLN CB . 51476 1 114 . 1 . 1 27 27 GLN N N 15 120.575 0.010 . 1 . . . . . 467 GLN N . 51476 1 115 . 1 . 1 28 28 GLY H H 1 8.536 0.001 . 1 . . . . . 468 GLY H . 51476 1 116 . 1 . 1 28 28 GLY C C 13 173.987 0.000 . 1 . . . . . 468 GLY C . 51476 1 117 . 1 . 1 28 28 GLY CA C 13 45.213 0.000 . 1 . . . . . 468 GLY CA . 51476 1 118 . 1 . 1 28 28 GLY N N 15 110.388 0.016 . 1 . . . . . 468 GLY N . 51476 1 119 . 1 . 1 29 29 LEU H H 1 8.278 0.003 . 1 . . . . . 469 LEU H . 51476 1 120 . 1 . 1 29 29 LEU C C 13 177.374 0.000 . 1 . . . . . 469 LEU C . 51476 1 121 . 1 . 1 29 29 LEU CA C 13 55.020 0.000 . 1 . . . . . 469 LEU CA . 51476 1 122 . 1 . 1 29 29 LEU CB C 13 42.500 0.000 . 1 . . . . . 469 LEU CB . 51476 1 123 . 1 . 1 29 29 LEU N N 15 121.891 0.023 . 1 . . . . . 469 LEU N . 51476 1 124 . 1 . 1 30 30 ALA H H 1 8.500 0.001 . 1 . . . . . 470 ALA H . 51476 1 125 . 1 . 1 30 30 ALA C C 13 178.380 0.000 . 1 . . . . . 470 ALA C . 51476 1 126 . 1 . 1 30 30 ALA CA C 13 52.847 0.000 . 1 . . . . . 470 ALA CA . 51476 1 127 . 1 . 1 30 30 ALA CB C 13 18.903 0.000 . 1 . . . . . 470 ALA CB . 51476 1 128 . 1 . 1 30 30 ALA N N 15 124.940 0.017 . 1 . . . . . 470 ALA N . 51476 1 129 . 1 . 1 31 31 GLY H H 1 8.578 0.000 . 1 . . . . . 471 GLY H . 51476 1 130 . 1 . 1 31 31 GLY C C 13 174.291 0.000 . 1 . . . . . 471 GLY C . 51476 1 131 . 1 . 1 31 31 GLY CA C 13 45.365 0.000 . 1 . . . . . 471 GLY CA . 51476 1 132 . 1 . 1 31 31 GLY N N 15 108.982 0.010 . 1 . . . . . 471 GLY N . 51476 1 133 . 1 . 1 32 32 GLN H H 1 8.285 0.001 . 1 . . . . . 472 GLN H . 51476 1 134 . 1 . 1 32 32 GLN C C 13 176.247 0.000 . 1 . . . . . 472 GLN C . 51476 1 135 . 1 . 1 32 32 GLN CA C 13 55.611 0.000 . 1 . . . . . 472 GLN CA . 51476 1 136 . 1 . 1 32 32 GLN CB C 13 29.566 0.000 . 1 . . . . . 472 GLN CB . 51476 1 137 . 1 . 1 32 32 GLN N N 15 119.670 0.018 . 1 . . . . . 472 GLN N . 51476 1 138 . 1 . 1 33 33 GLU H H 1 8.800 0.000 . 1 . . . . . 473 GLU H . 51476 1 139 . 1 . 1 33 33 GLU C C 13 176.816 0.000 . 1 . . . . . 473 GLU C . 51476 1 140 . 1 . 1 33 33 GLU CA C 13 57.215 0.000 . 1 . . . . . 473 GLU CA . 51476 1 141 . 1 . 1 33 33 GLU CB C 13 29.884 0.000 . 1 . . . . . 473 GLU CB . 51476 1 142 . 1 . 1 33 33 GLU N N 15 122.397 0.009 . 1 . . . . . 473 GLU N . 51476 1 143 . 1 . 1 34 34 SER H H 1 8.431 0.000 . 1 . . . . . 474 SER H . 51476 1 144 . 1 . 1 34 34 SER C C 13 174.056 0.000 . 1 . . . . . 474 SER C . 51476 1 145 . 1 . 1 34 34 SER CA C 13 58.484 0.000 . 1 . . . . . 474 SER CA . 51476 1 146 . 1 . 1 34 34 SER CB C 13 63.989 0.000 . 1 . . . . . 474 SER CB . 51476 1 147 . 1 . 1 34 34 SER N N 15 116.204 0.011 . 1 . . . . . 474 SER N . 51476 1 148 . 1 . 1 35 35 ASP H H 1 8.366 0.001 . 1 . . . . . 475 ASP H . 51476 1 149 . 1 . 1 35 35 ASP C C 13 175.928 0.000 . 1 . . . . . 475 ASP C . 51476 1 150 . 1 . 1 35 35 ASP CA C 13 54.317 0.000 . 1 . . . . . 475 ASP CA . 51476 1 151 . 1 . 1 35 35 ASP CB C 13 40.920 0.000 . 1 . . . . . 475 ASP CB . 51476 1 152 . 1 . 1 35 35 ASP N N 15 122.130 0.016 . 1 . . . . . 475 ASP N . 51476 1 153 . 1 . 1 36 36 PHE H H 1 8.239 0.001 . 1 . . . . . 476 PHE H . 51476 1 154 . 1 . 1 36 36 PHE C C 13 175.667 0.000 . 1 . . . . . 476 PHE C . 51476 1 155 . 1 . 1 36 36 PHE CA C 13 57.925 0.000 . 1 . . . . . 476 PHE CA . 51476 1 156 . 1 . 1 36 36 PHE CB C 13 39.561 0.000 . 1 . . . . . 476 PHE CB . 51476 1 157 . 1 . 1 36 36 PHE N N 15 120.776 0.023 . 1 . . . . . 476 PHE N . 51476 1 158 . 1 . 1 37 37 THR H H 1 8.118 0.000 . 1 . . . . . 477 THR H . 51476 1 159 . 1 . 1 37 37 THR C C 13 173.421 0.000 . 1 . . . . . 477 THR C . 51476 1 160 . 1 . 1 37 37 THR CA C 13 61.747 0.000 . 1 . . . . . 477 THR CA . 51476 1 161 . 1 . 1 37 37 THR CB C 13 70.002 0.000 . 1 . . . . . 477 THR CB . 51476 1 162 . 1 . 1 37 37 THR N N 15 117.194 0.005 . 1 . . . . . 477 THR N . 51476 1 163 . 1 . 1 38 38 ALA H H 1 8.371 0.000 . 1 . . . . . 478 ALA H . 51476 1 164 . 1 . 1 38 38 ALA C C 13 175.443 0.000 . 1 . . . . . 478 ALA C . 51476 1 165 . 1 . 1 38 38 ALA CA C 13 50.589 0.000 . 1 . . . . . 478 ALA CA . 51476 1 166 . 1 . 1 38 38 ALA CB C 13 18.166 0.000 . 1 . . . . . 478 ALA CB . 51476 1 167 . 1 . 1 38 38 ALA N N 15 128.556 0.014 . 1 . . . . . 478 ALA N . 51476 1 168 . 1 . 1 39 39 PRO C C 13 176.519 0.000 . 1 . . . . . 479 PRO C . 51476 1 169 . 1 . 1 39 39 PRO CA C 13 63.138 0.000 . 1 . . . . . 479 PRO CA . 51476 1 170 . 1 . 1 39 39 PRO CB C 13 32.111 0.000 . 1 . . . . . 479 PRO CB . 51476 1 171 . 1 . 1 40 40 ASP H H 1 8.475 0.001 . 1 . . . . . 480 ASP H . 51476 1 172 . 1 . 1 40 40 ASP C C 13 176.048 0.000 . 1 . . . . . 480 ASP C . 51476 1 173 . 1 . 1 40 40 ASP CA C 13 54.471 0.000 . 1 . . . . . 480 ASP CA . 51476 1 174 . 1 . 1 40 40 ASP CB C 13 41.022 0.000 . 1 . . . . . 480 ASP CB . 51476 1 175 . 1 . 1 40 40 ASP N N 15 119.981 0.011 . 1 . . . . . 480 ASP N . 51476 1 176 . 1 . 1 41 41 VAL H H 1 7.983 0.001 . 1 . . . . . 481 VAL H . 51476 1 177 . 1 . 1 41 41 VAL C C 13 175.138 0.000 . 1 . . . . . 481 VAL C . 51476 1 178 . 1 . 1 41 41 VAL CA C 13 62.205 0.000 . 1 . . . . . 481 VAL CA . 51476 1 179 . 1 . 1 41 41 VAL CB C 13 33.031 0.000 . 1 . . . . . 481 VAL CB . 51476 1 180 . 1 . 1 41 41 VAL N N 15 119.763 0.016 . 1 . . . . . 481 VAL N . 51476 1 181 . 1 . 1 42 42 TRP H H 1 8.284 0.000 . 1 . . . . . 482 TRP H . 51476 1 182 . 1 . 1 42 42 TRP C C 13 174.936 0.000 . 1 . . . . . 482 TRP C . 51476 1 183 . 1 . 1 42 42 TRP CA C 13 57.400 0.000 . 1 . . . . . 482 TRP CA . 51476 1 184 . 1 . 1 42 42 TRP CB C 13 29.942 0.000 . 1 . . . . . 482 TRP CB . 51476 1 185 . 1 . 1 42 42 TRP N N 15 124.983 0.019 . 1 . . . . . 482 TRP N . 51476 1 186 . 1 . 1 43 43 TYR H H 1 7.833 0.002 . 1 . . . . . 483 TYR H . 51476 1 187 . 1 . 1 43 43 TYR C C 13 173.114 0.000 . 1 . . . . . 483 TYR C . 51476 1 188 . 1 . 1 43 43 TYR CA C 13 55.299 0.000 . 1 . . . . . 483 TYR CA . 51476 1 189 . 1 . 1 43 43 TYR CB C 13 38.699 0.000 . 1 . . . . . 483 TYR CB . 51476 1 190 . 1 . 1 43 43 TYR N N 15 123.626 0.020 . 1 . . . . . 483 TYR N . 51476 1 191 . 1 . 1 44 44 PRO C C 13 177.584 0.000 . 1 . . . . . 484 PRO C . 51476 1 192 . 1 . 1 44 44 PRO CA C 13 63.605 0.032 . 1 . . . . . 484 PRO CA . 51476 1 193 . 1 . 1 44 44 PRO CB C 13 31.706 0.000 . 1 . . . . . 484 PRO CB . 51476 1 194 . 1 . 1 45 45 GLY H H 1 8.313 0.001 . 1 . . . . . 485 GLY H . 51476 1 195 . 1 . 1 45 45 GLY C C 13 174.786 0.000 . 1 . . . . . 485 GLY C . 51476 1 196 . 1 . 1 45 45 GLY CA C 13 45.319 0.000 . 1 . . . . . 485 GLY CA . 51476 1 197 . 1 . 1 45 45 GLY N N 15 109.464 0.011 . 1 . . . . . 485 GLY N . 51476 1 198 . 1 . 1 46 46 GLY H H 1 8.215 0.009 . 1 . . . . . 486 GLY H . 51476 1 199 . 1 . 1 46 46 GLY C C 13 173.901 0.000 . 1 . . . . . 486 GLY C . 51476 1 200 . 1 . 1 46 46 GLY CA C 13 45.209 0.000 . 1 . . . . . 486 GLY CA . 51476 1 201 . 1 . 1 46 46 GLY N N 15 108.628 0.021 . 1 . . . . . 486 GLY N . 51476 1 202 . 1 . 1 47 47 MET H H 1 8.288 0.002 . 1 . . . . . 487 MET H . 51476 1 203 . 1 . 1 47 47 MET C C 13 176.171 0.000 . 1 . . . . . 487 MET C . 51476 1 204 . 1 . 1 47 47 MET CA C 13 55.600 0.000 . 1 . . . . . 487 MET CA . 51476 1 205 . 1 . 1 47 47 MET CB C 13 32.834 0.000 . 1 . . . . . 487 MET CB . 51476 1 206 . 1 . 1 47 47 MET N N 15 119.814 0.020 . 1 . . . . . 487 MET N . 51476 1 207 . 1 . 1 48 48 VAL H H 1 8.263 0.002 . 1 . . . . . 488 VAL H . 51476 1 208 . 1 . 1 48 48 VAL C C 13 175.990 0.000 . 1 . . . . . 488 VAL C . 51476 1 209 . 1 . 1 48 48 VAL CA C 13 62.326 0.000 . 1 . . . . . 488 VAL CA . 51476 1 210 . 1 . 1 48 48 VAL CB C 13 32.785 0.000 . 1 . . . . . 488 VAL CB . 51476 1 211 . 1 . 1 48 48 VAL N N 15 121.599 0.022 . 1 . . . . . 488 VAL N . 51476 1 212 . 1 . 1 49 49 SER H H 1 8.435 0.001 . 1 . . . . . 489 SER H . 51476 1 213 . 1 . 1 49 49 SER C C 13 174.261 0.000 . 1 . . . . . 489 SER C . 51476 1 214 . 1 . 1 49 49 SER CA C 13 58.144 0.000 . 1 . . . . . 489 SER CA . 51476 1 215 . 1 . 1 49 49 SER CB C 13 63.904 0.000 . 1 . . . . . 489 SER CB . 51476 1 216 . 1 . 1 49 49 SER N N 15 119.667 0.014 . 1 . . . . . 489 SER N . 51476 1 217 . 1 . 1 50 50 ARG H H 1 8.492 0.001 . 1 . . . . . 490 ARG H . 51476 1 218 . 1 . 1 50 50 ARG C C 13 175.958 0.000 . 1 . . . . . 490 ARG C . 51476 1 219 . 1 . 1 50 50 ARG CA C 13 56.003 0.000 . 1 . . . . . 490 ARG CA . 51476 1 220 . 1 . 1 50 50 ARG CB C 13 30.826 0.000 . 1 . . . . . 490 ARG CB . 51476 1 221 . 1 . 1 50 50 ARG N N 15 123.605 0.015 . 1 . . . . . 490 ARG N . 51476 1 222 . 1 . 1 51 51 VAL H H 1 8.216 0.001 . 1 . . . . . 491 VAL H . 51476 1 223 . 1 . 1 51 51 VAL C C 13 174.340 0.000 . 1 . . . . . 491 VAL C . 51476 1 224 . 1 . 1 51 51 VAL CA C 13 59.850 0.000 . 1 . . . . . 491 VAL CA . 51476 1 225 . 1 . 1 51 51 VAL CB C 13 32.460 0.000 . 1 . . . . . 491 VAL CB . 51476 1 226 . 1 . 1 51 51 VAL N N 15 122.560 0.017 . 1 . . . . . 491 VAL N . 51476 1 227 . 1 . 1 54 54 PRO C C 13 176.393 0.000 . 1 . . . . . 494 PRO C . 51476 1 228 . 1 . 1 54 54 PRO CA C 13 62.993 0.000 . 1 . . . . . 494 PRO CA . 51476 1 229 . 1 . 1 54 54 PRO CB C 13 31.928 0.000 . 1 . . . . . 494 PRO CB . 51476 1 230 . 1 . 1 55 55 SER H H 1 8.457 0.001 . 1 . . . . . 495 SER H . 51476 1 231 . 1 . 1 55 55 SER C C 13 173.138 0.000 . 1 . . . . . 495 SER C . 51476 1 232 . 1 . 1 55 55 SER CA C 13 56.427 0.000 . 1 . . . . . 495 SER CA . 51476 1 233 . 1 . 1 55 55 SER CB C 13 63.402 0.000 . 1 . . . . . 495 SER CB . 51476 1 234 . 1 . 1 55 55 SER N N 15 117.952 0.011 . 1 . . . . . 495 SER N . 51476 1 235 . 1 . 1 56 56 PRO C C 13 177.167 0.000 . 1 . . . . . 496 PRO C . 51476 1 236 . 1 . 1 56 56 PRO CA C 13 63.570 0.000 . 1 . . . . . 496 PRO CA . 51476 1 237 . 1 . 1 56 56 PRO CB C 13 32.227 0.000 . 1 . . . . . 496 PRO CB . 51476 1 238 . 1 . 1 57 57 THR H H 1 8.288 0.002 . 1 . . . . . 497 THR H . 51476 1 239 . 1 . 1 57 57 THR C C 13 174.386 0.000 . 1 . . . . . 497 THR C . 51476 1 240 . 1 . 1 57 57 THR CA C 13 61.906 0.025 . 1 . . . . . 497 THR CA . 51476 1 241 . 1 . 1 57 57 THR CB C 13 69.676 0.000 . 1 . . . . . 497 THR CB . 51476 1 242 . 1 . 1 57 57 THR N N 15 113.592 0.022 . 1 . . . . . 497 THR N . 51476 1 243 . 1 . 1 58 58 CYS H H 1 8.318 0.003 . 1 . . . . . 498 CYS H . 51476 1 244 . 1 . 1 58 58 CYS C C 13 174.443 0.000 . 1 . . . . . 498 CYS C . 51476 1 245 . 1 . 1 58 58 CYS CA C 13 58.589 0.000 . 1 . . . . . 498 CYS CA . 51476 1 246 . 1 . 1 58 58 CYS CB C 13 28.254 0.000 . 1 . . . . . 498 CYS CB . 51476 1 247 . 1 . 1 58 58 CYS N N 15 122.086 0.019 . 1 . . . . . 498 CYS N . 51476 1 248 . 1 . 1 59 59 VAL H H 1 8.379 0.001 . 1 . . . . . 499 VAL H . 51476 1 249 . 1 . 1 59 59 VAL C C 13 176.139 0.000 . 1 . . . . . 499 VAL C . 51476 1 250 . 1 . 1 59 59 VAL CA C 13 62.537 0.000 . 1 . . . . . 499 VAL CA . 51476 1 251 . 1 . 1 59 59 VAL CB C 13 32.677 0.000 . 1 . . . . . 499 VAL CB . 51476 1 252 . 1 . 1 59 59 VAL N N 15 123.423 0.023 . 1 . . . . . 499 VAL N . 51476 1 253 . 1 . 1 60 60 LYS H H 1 8.568 0.001 . 1 . . . . . 500 LYS H . 51476 1 254 . 1 . 1 60 60 LYS C C 13 176.638 0.000 . 1 . . . . . 500 LYS C . 51476 1 255 . 1 . 1 60 60 LYS CA C 13 56.611 0.000 . 1 . . . . . 500 LYS CA . 51476 1 256 . 1 . 1 60 60 LYS CB C 13 32.905 0.000 . 1 . . . . . 500 LYS CB . 51476 1 257 . 1 . 1 60 60 LYS N N 15 126.031 0.008 . 1 . . . . . 500 LYS N . 51476 1 258 . 1 . 1 61 61 SER H H 1 8.475 0.001 . 1 . . . . . 501 SER H . 51476 1 259 . 1 . 1 61 61 SER C C 13 174.642 0.000 . 1 . . . . . 501 SER C . 51476 1 260 . 1 . 1 61 61 SER CA C 13 58.579 0.000 . 1 . . . . . 501 SER CA . 51476 1 261 . 1 . 1 61 61 SER CB C 13 63.791 0.000 . 1 . . . . . 501 SER CB . 51476 1 262 . 1 . 1 61 61 SER N N 15 117.644 0.022 . 1 . . . . . 501 SER N . 51476 1 263 . 1 . 1 62 62 GLU H H 1 8.614 0.000 . 1 . . . . . 502 GLU H . 51476 1 264 . 1 . 1 62 62 GLU C C 13 176.421 0.000 . 1 . . . . . 502 GLU C . 51476 1 265 . 1 . 1 62 62 GLU CA C 13 56.664 0.000 . 1 . . . . . 502 GLU CA . 51476 1 266 . 1 . 1 62 62 GLU CB C 13 30.139 0.000 . 1 . . . . . 502 GLU CB . 51476 1 267 . 1 . 1 62 62 GLU N N 15 122.970 0.009 . 1 . . . . . 502 GLU N . 51476 1 268 . 1 . 1 63 63 MET H H 1 8.425 0.001 . 1 . . . . . 503 MET H . 51476 1 269 . 1 . 1 63 63 MET C C 13 176.220 0.000 . 1 . . . . . 503 MET C . 51476 1 270 . 1 . 1 63 63 MET CA C 13 55.493 0.000 . 1 . . . . . 503 MET CA . 51476 1 271 . 1 . 1 63 63 MET CB C 13 32.962 0.000 . 1 . . . . . 503 MET CB . 51476 1 272 . 1 . 1 63 63 MET N N 15 120.491 0.016 . 1 . . . . . 503 MET N . 51476 1 273 . 1 . 1 64 64 GLY H H 1 8.002 0.003 . 1 . . . . . 504 GLY H . 51476 1 274 . 1 . 1 64 64 GLY C C 13 171.801 0.000 . 1 . . . . . 504 GLY C . 51476 1 275 . 1 . 1 64 64 GLY CA C 13 44.771 0.000 . 1 . . . . . 504 GLY CA . 51476 1 276 . 1 . 1 64 64 GLY N N 15 109.696 0.011 . 1 . . . . . 504 GLY N . 51476 1 277 . 1 . 1 65 65 PRO C C 13 176.715 0.000 . 1 . . . . . 505 PRO C . 51476 1 278 . 1 . 1 65 65 PRO CA C 13 63.427 0.000 . 1 . . . . . 505 PRO CA . 51476 1 279 . 1 . 1 65 65 PRO CB C 13 31.650 0.000 . 1 . . . . . 505 PRO CB . 51476 1 280 . 1 . 1 66 66 TRP H H 1 8.024 0.003 . 1 . . . . . 506 TRP H . 51476 1 281 . 1 . 1 66 66 TRP C C 13 176.354 0.000 . 1 . . . . . 506 TRP C . 51476 1 282 . 1 . 1 66 66 TRP CA C 13 57.806 0.000 . 1 . . . . . 506 TRP CA . 51476 1 283 . 1 . 1 66 66 TRP CB C 13 28.866 0.000 . 1 . . . . . 506 TRP CB . 51476 1 284 . 1 . 1 66 66 TRP N N 15 120.272 0.032 . 1 . . . . . 506 TRP N . 51476 1 285 . 1 . 1 67 67 MET H H 1 7.846 0.001 . 1 . . . . . 507 MET H . 51476 1 286 . 1 . 1 67 67 MET C C 13 175.723 0.000 . 1 . . . . . 507 MET C . 51476 1 287 . 1 . 1 67 67 MET CA C 13 55.439 0.000 . 1 . . . . . 507 MET CA . 51476 1 288 . 1 . 1 67 67 MET CB C 13 32.952 0.000 . 1 . . . . . 507 MET CB . 51476 1 289 . 1 . 1 67 67 MET N N 15 121.990 0.017 . 1 . . . . . 507 MET N . 51476 1 290 . 1 . 1 68 68 ASP H H 1 8.230 0.002 . 1 . . . . . 508 ASP H . 51476 1 291 . 1 . 1 68 68 ASP C C 13 176.383 0.000 . 1 . . . . . 508 ASP C . 51476 1 292 . 1 . 1 68 68 ASP CA C 13 54.846 0.043 . 1 . . . . . 508 ASP CA . 51476 1 293 . 1 . 1 68 68 ASP CB C 13 41.169 0.000 . 1 . . . . . 508 ASP CB . 51476 1 294 . 1 . 1 68 68 ASP N N 15 121.199 0.007 . 1 . . . . . 508 ASP N . 51476 1 295 . 1 . 1 69 69 SER H H 1 8.157 0.001 . 1 . . . . . 509 SER H . 51476 1 296 . 1 . 1 69 69 SER C C 13 174.187 0.000 . 1 . . . . . 509 SER C . 51476 1 297 . 1 . 1 69 69 SER CA C 13 58.584 0.000 . 1 . . . . . 509 SER CA . 51476 1 298 . 1 . 1 69 69 SER CB C 13 63.673 0.000 . 1 . . . . . 509 SER CB . 51476 1 299 . 1 . 1 69 69 SER N N 15 115.021 0.021 . 1 . . . . . 509 SER N . 51476 1 300 . 1 . 1 70 70 TYR H H 1 8.253 0.013 . 1 . . . . . 510 TYR H . 51476 1 301 . 1 . 1 70 70 TYR C C 13 175.786 0.000 . 1 . . . . . 510 TYR C . 51476 1 302 . 1 . 1 70 70 TYR CA C 13 58.447 0.000 . 1 . . . . . 510 TYR CA . 51476 1 303 . 1 . 1 70 70 TYR CB C 13 38.827 0.000 . 1 . . . . . 510 TYR CB . 51476 1 304 . 1 . 1 70 70 TYR N N 15 122.512 0.067 . 1 . . . . . 510 TYR N . 51476 1 305 . 1 . 1 71 71 SER H H 1 8.281 0.001 . 1 . . . . . 511 SER H . 51476 1 306 . 1 . 1 71 71 SER C C 13 174.158 0.000 . 1 . . . . . 511 SER C . 51476 1 307 . 1 . 1 71 71 SER CA C 13 58.122 0.000 . 1 . . . . . 511 SER CA . 51476 1 308 . 1 . 1 71 71 SER CB C 13 64.095 0.000 . 1 . . . . . 511 SER CB . 51476 1 309 . 1 . 1 71 71 SER N N 15 118.485 0.007 . 1 . . . . . 511 SER N . 51476 1 310 . 1 . 1 72 72 GLY H H 1 7.434 0.003 . 1 . . . . . 512 GLY H . 51476 1 311 . 1 . 1 72 72 GLY C C 13 171.902 0.000 . 1 . . . . . 512 GLY C . 51476 1 312 . 1 . 1 72 72 GLY CA C 13 44.827 0.000 . 1 . . . . . 512 GLY CA . 51476 1 313 . 1 . 1 72 72 GLY N N 15 110.076 0.011 . 1 . . . . . 512 GLY N . 51476 1 314 . 1 . 1 73 73 PRO C C 13 177.114 0.000 . 1 . . . . . 513 PRO C . 51476 1 315 . 1 . 1 73 73 PRO CA C 13 63.515 0.000 . 1 . . . . . 513 PRO CA . 51476 1 316 . 1 . 1 73 73 PRO CB C 13 31.888 0.000 . 1 . . . . . 513 PRO CB . 51476 1 317 . 1 . 1 74 74 TYR H H 1 8.393 0.005 . 1 . . . . . 514 TYR H . 51476 1 318 . 1 . 1 74 74 TYR C C 13 176.458 0.000 . 1 . . . . . 514 TYR C . 51476 1 319 . 1 . 1 74 74 TYR CA C 13 57.859 0.000 . 1 . . . . . 514 TYR CA . 51476 1 320 . 1 . 1 74 74 TYR CB C 13 38.447 0.000 . 1 . . . . . 514 TYR CB . 51476 1 321 . 1 . 1 74 74 TYR N N 15 119.630 0.009 . 1 . . . . . 514 TYR N . 51476 1 322 . 1 . 1 75 75 GLY H H 1 8.134 0.001 . 1 . . . . . 515 GLY H . 51476 1 323 . 1 . 1 75 75 GLY C C 13 173.764 0.000 . 1 . . . . . 515 GLY C . 51476 1 324 . 1 . 1 75 75 GLY CA C 13 45.543 0.000 . 1 . . . . . 515 GLY CA . 51476 1 325 . 1 . 1 75 75 GLY N N 15 109.881 0.006 . 1 . . . . . 515 GLY N . 51476 1 326 . 1 . 1 76 76 ASP H H 1 8.278 0.001 . 1 . . . . . 516 ASP H . 51476 1 327 . 1 . 1 76 76 ASP C C 13 176.608 0.000 . 1 . . . . . 516 ASP C . 51476 1 328 . 1 . 1 76 76 ASP CA C 13 54.329 0.011 . 1 . . . . . 516 ASP CA . 51476 1 329 . 1 . 1 76 76 ASP CB C 13 41.032 0.009 . 1 . . . . . 516 ASP CB . 51476 1 330 . 1 . 1 76 76 ASP N N 15 120.345 0.027 . 1 . . . . . 516 ASP N . 51476 1 331 . 1 . 1 77 77 MET H H 1 8.446 0.001 . 1 . . . . . 517 MET H . 51476 1 332 . 1 . 1 77 77 MET C C 13 176.482 0.000 . 1 . . . . . 517 MET C . 51476 1 333 . 1 . 1 77 77 MET CA C 13 55.818 0.000 . 1 . . . . . 517 MET CA . 51476 1 334 . 1 . 1 77 77 MET CB C 13 32.310 0.000 . 1 . . . . . 517 MET CB . 51476 1 335 . 1 . 1 77 77 MET N N 15 121.450 0.012 . 1 . . . . . 517 MET N . 51476 1 336 . 1 . 1 78 78 ARG H H 1 8.377 0.001 . 1 . . . . . 518 ARG H . 51476 1 337 . 1 . 1 78 78 ARG C C 13 176.490 0.000 . 1 . . . . . 518 ARG C . 51476 1 338 . 1 . 1 78 78 ARG CA C 13 56.589 0.000 . 1 . . . . . 518 ARG CA . 51476 1 339 . 1 . 1 78 78 ARG CB C 13 30.412 0.000 . 1 . . . . . 518 ARG CB . 51476 1 340 . 1 . 1 78 78 ARG N N 15 121.623 0.026 . 1 . . . . . 518 ARG N . 51476 1 341 . 1 . 1 79 79 LEU H H 1 8.295 0.001 . 1 . . . . . 519 LEU H . 51476 1 342 . 1 . 1 79 79 LEU C C 13 177.695 0.000 . 1 . . . . . 519 LEU C . 51476 1 343 . 1 . 1 79 79 LEU CA C 13 55.360 0.000 . 1 . . . . . 519 LEU CA . 51476 1 344 . 1 . 1 79 79 LEU CB C 13 42.296 0.000 . 1 . . . . . 519 LEU CB . 51476 1 345 . 1 . 1 79 79 LEU N N 15 122.607 0.016 . 1 . . . . . 519 LEU N . 51476 1 346 . 1 . 1 80 80 GLU H H 1 8.561 0.001 . 1 . . . . . 520 GLU H . 51476 1 347 . 1 . 1 80 80 GLU C C 13 176.801 0.000 . 1 . . . . . 520 GLU C . 51476 1 348 . 1 . 1 80 80 GLU CA C 13 56.956 0.000 . 1 . . . . . 520 GLU CA . 51476 1 349 . 1 . 1 80 80 GLU CB C 13 30.103 0.000 . 1 . . . . . 520 GLU CB . 51476 1 350 . 1 . 1 80 80 GLU N N 15 121.643 0.015 . 1 . . . . . 520 GLU N . 51476 1 351 . 1 . 1 81 81 THR H H 1 8.151 0.001 . 1 . . . . . 521 THR H . 51476 1 352 . 1 . 1 81 81 THR C C 13 174.485 0.000 . 1 . . . . . 521 THR C . 51476 1 353 . 1 . 1 81 81 THR CA C 13 62.095 0.000 . 1 . . . . . 521 THR CA . 51476 1 354 . 1 . 1 81 81 THR CB C 13 69.922 0.000 . 1 . . . . . 521 THR CB . 51476 1 355 . 1 . 1 81 81 THR N N 15 114.669 0.025 . 1 . . . . . 521 THR N . 51476 1 356 . 1 . 1 82 82 ALA H H 1 8.358 0.001 . 1 . . . . . 522 ALA H . 51476 1 357 . 1 . 1 82 82 ALA C C 13 177.859 0.000 . 1 . . . . . 522 ALA C . 51476 1 358 . 1 . 1 82 82 ALA CA C 13 52.859 0.000 . 1 . . . . . 522 ALA CA . 51476 1 359 . 1 . 1 82 82 ALA CB C 13 19.106 0.000 . 1 . . . . . 522 ALA CB . 51476 1 360 . 1 . 1 82 82 ALA N N 15 126.366 0.014 . 1 . . . . . 522 ALA N . 51476 1 361 . 1 . 1 83 83 ARG H H 1 8.326 0.004 . 1 . . . . . 523 ARG H . 51476 1 362 . 1 . 1 83 83 ARG C C 13 176.122 0.000 . 1 . . . . . 523 ARG C . 51476 1 363 . 1 . 1 83 83 ARG CA C 13 56.242 0.000 . 1 . . . . . 523 ARG CA . 51476 1 364 . 1 . 1 83 83 ARG CB C 13 30.825 0.000 . 1 . . . . . 523 ARG CB . 51476 1 365 . 1 . 1 83 83 ARG N N 15 120.190 0.036 . 1 . . . . . 523 ARG N . 51476 1 366 . 1 . 1 84 84 ASP H H 1 8.324 0.005 . 1 . . . . . 524 ASP H . 51476 1 367 . 1 . 1 84 84 ASP C C 13 175.790 0.000 . 1 . . . . . 524 ASP C . 51476 1 368 . 1 . 1 84 84 ASP CA C 13 54.419 0.025 . 1 . . . . . 524 ASP CA . 51476 1 369 . 1 . 1 84 84 ASP CB C 13 40.947 0.000 . 1 . . . . . 524 ASP CB . 51476 1 370 . 1 . 1 84 84 ASP N N 15 120.312 0.024 . 1 . . . . . 524 ASP N . 51476 1 371 . 1 . 1 85 85 HIS H H 1 8.223 0.003 . 1 . . . . . 525 HIS H . 51476 1 372 . 1 . 1 85 85 HIS C C 13 174.755 0.000 . 1 . . . . . 525 HIS C . 51476 1 373 . 1 . 1 85 85 HIS CA C 13 56.014 0.000 . 1 . . . . . 525 HIS CA . 51476 1 374 . 1 . 1 85 85 HIS CB C 13 30.511 0.000 . 1 . . . . . 525 HIS CB . 51476 1 375 . 1 . 1 85 85 HIS N N 15 119.393 0.016 . 1 . . . . . 525 HIS N . 51476 1 376 . 1 . 1 86 86 VAL H H 1 8.153 0.000 . 1 . . . . . 526 VAL H . 51476 1 377 . 1 . 1 86 86 VAL C C 13 175.841 0.000 . 1 . . . . . 526 VAL C . 51476 1 378 . 1 . 1 86 86 VAL CA C 13 62.291 0.000 . 1 . . . . . 526 VAL CA . 51476 1 379 . 1 . 1 86 86 VAL CB C 13 32.622 0.000 . 1 . . . . . 526 VAL CB . 51476 1 380 . 1 . 1 86 86 VAL N N 15 122.113 0.007 . 1 . . . . . 526 VAL N . 51476 1 381 . 1 . 1 87 87 LEU H H 1 8.461 0.000 . 1 . . . . . 527 LEU H . 51476 1 382 . 1 . 1 87 87 LEU C C 13 175.029 0.000 . 1 . . . . . 527 LEU C . 51476 1 383 . 1 . 1 87 87 LEU CA C 13 52.906 0.000 . 1 . . . . . 527 LEU CA . 51476 1 384 . 1 . 1 87 87 LEU CB C 13 41.577 0.000 . 1 . . . . . 527 LEU CB . 51476 1 385 . 1 . 1 87 87 LEU N N 15 127.861 0.015 . 1 . . . . . 527 LEU N . 51476 1 386 . 1 . 1 88 88 PRO C C 13 177.122 0.000 . 1 . . . . . 528 PRO C . 51476 1 387 . 1 . 1 88 88 PRO CA C 13 63.070 0.000 . 1 . . . . . 528 PRO CA . 51476 1 388 . 1 . 1 88 88 PRO CB C 13 32.050 0.000 . 1 . . . . . 528 PRO CB . 51476 1 389 . 1 . 1 89 89 ILE H H 1 8.323 0.001 . 1 . . . . . 529 ILE H . 51476 1 390 . 1 . 1 89 89 ILE C C 13 175.856 0.000 . 1 . . . . . 529 ILE C . 51476 1 391 . 1 . 1 89 89 ILE CA C 13 61.846 0.000 . 1 . . . . . 529 ILE CA . 51476 1 392 . 1 . 1 89 89 ILE CB C 13 38.780 0.000 . 1 . . . . . 529 ILE CB . 51476 1 393 . 1 . 1 89 89 ILE N N 15 120.707 0.026 . 1 . . . . . 529 ILE N . 51476 1 394 . 1 . 1 90 90 ASP H H 1 8.323 0.001 . 1 . . . . . 530 ASP H . 51476 1 395 . 1 . 1 90 90 ASP C C 13 175.773 0.000 . 1 . . . . . 530 ASP C . 51476 1 396 . 1 . 1 90 90 ASP CA C 13 53.973 0.017 . 1 . . . . . 530 ASP CA . 51476 1 397 . 1 . 1 90 90 ASP CB C 13 40.843 0.000 . 1 . . . . . 530 ASP CB . 51476 1 398 . 1 . 1 90 90 ASP N N 15 122.112 0.010 . 1 . . . . . 530 ASP N . 51476 1 399 . 1 . 1 91 91 TYR H H 1 7.962 0.001 . 1 . . . . . 531 TYR H . 51476 1 400 . 1 . 1 91 91 TYR C C 13 175.137 0.000 . 1 . . . . . 531 TYR C . 51476 1 401 . 1 . 1 91 91 TYR CA C 13 58.770 0.000 . 1 . . . . . 531 TYR CA . 51476 1 402 . 1 . 1 91 91 TYR CB C 13 39.048 0.000 . 1 . . . . . 531 TYR CB . 51476 1 403 . 1 . 1 91 91 TYR N N 15 120.699 0.018 . 1 . . . . . 531 TYR N . 51476 1 404 . 1 . 1 92 92 TYR H H 1 8.000 0.002 . 1 . . . . . 532 TYR H . 51476 1 405 . 1 . 1 92 92 TYR C C 13 174.297 0.000 . 1 . . . . . 532 TYR C . 51476 1 406 . 1 . 1 92 92 TYR CA C 13 57.906 0.000 . 1 . . . . . 532 TYR CA . 51476 1 407 . 1 . 1 92 92 TYR CB C 13 39.058 0.000 . 1 . . . . . 532 TYR CB . 51476 1 408 . 1 . 1 92 92 TYR N N 15 121.356 0.036 . 1 . . . . . 532 TYR N . 51476 1 409 . 1 . 1 93 93 PHE H H 1 7.956 0.001 . 1 . . . . . 533 PHE H . 51476 1 410 . 1 . 1 93 93 PHE C C 13 172.485 0.000 . 1 . . . . . 533 PHE C . 51476 1 411 . 1 . 1 93 93 PHE CA C 13 55.031 0.000 . 1 . . . . . 533 PHE CA . 51476 1 412 . 1 . 1 93 93 PHE CB C 13 39.285 0.000 . 1 . . . . . 533 PHE CB . 51476 1 413 . 1 . 1 93 93 PHE N N 15 124.111 0.016 . 1 . . . . . 533 PHE N . 51476 1 414 . 1 . 1 95 95 PRO C C 13 176.956 0.000 . 1 . . . . . 535 PRO C . 51476 1 415 . 1 . 1 95 95 PRO CA C 13 62.872 0.000 . 1 . . . . . 535 PRO CA . 51476 1 416 . 1 . 1 95 95 PRO CB C 13 32.022 0.000 . 1 . . . . . 535 PRO CB . 51476 1 417 . 1 . 1 96 96 GLN H H 1 8.634 0.000 . 1 . . . . . 536 GLN H . 51476 1 418 . 1 . 1 96 96 GLN C C 13 175.915 0.000 . 1 . . . . . 536 GLN C . 51476 1 419 . 1 . 1 96 96 GLN CA C 13 55.594 0.023 . 1 . . . . . 536 GLN CA . 51476 1 420 . 1 . 1 96 96 GLN CB C 13 29.682 0.019 . 1 . . . . . 536 GLN CB . 51476 1 421 . 1 . 1 96 96 GLN N N 15 121.212 0.012 . 1 . . . . . 536 GLN N . 51476 1 422 . 1 . 1 97 97 LYS H H 1 8.599 0.001 . 1 . . . . . 537 LYS H . 51476 1 423 . 1 . 1 97 97 LYS C C 13 175.952 0.000 . 1 . . . . . 537 LYS C . 51476 1 424 . 1 . 1 97 97 LYS CA C 13 56.481 0.030 . 1 . . . . . 537 LYS CA . 51476 1 425 . 1 . 1 97 97 LYS CB C 13 33.107 0.000 . 1 . . . . . 537 LYS CB . 51476 1 426 . 1 . 1 97 97 LYS N N 15 124.289 0.011 . 1 . . . . . 537 LYS N . 51476 1 427 . 1 . 1 98 98 THR H H 1 8.006 0.000 . 1 . . . . . 538 THR H . 51476 1 428 . 1 . 1 98 98 THR C C 13 179.311 0.000 . 1 . . . . . 538 THR C . 51476 1 429 . 1 . 1 98 98 THR CA C 13 63.361 0.000 . 1 . . . . . 538 THR CA . 51476 1 430 . 1 . 1 98 98 THR CB C 13 70.751 0.000 . 1 . . . . . 538 THR CB . 51476 1 431 . 1 . 1 98 98 THR N N 15 121.678 0.004 . 1 . . . . . 538 THR N . 51476 1 stop_ save_