################################### # 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 19451 _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' . . . 19451 1 2 '3D HNCA' . . . 19451 1 3 '3D HNCACB' . . . 19451 1 4 '3D CBCA(CO)NH' . . . 19451 1 5 '3D H(CCO)NH' . . . 19451 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 3 3 MET H H 1 8.501 0.020 . 1 . . . . 372 MET H . 19451 1 2 . 1 1 3 3 MET CA C 13 55.624 0.300 . 1 . . . . 372 MET CA . 19451 1 3 . 1 1 3 3 MET CB C 13 32.606 0.300 . 1 . . . . 372 MET CB . 19451 1 4 . 1 1 3 3 MET N N 15 119.867 0.300 . 1 . . . . 372 MET N . 19451 1 5 . 1 1 4 4 GLY H H 1 8.391 0.020 . 1 . . . . 373 GLY H . 19451 1 6 . 1 1 4 4 GLY CA C 13 45.190 0.300 . 1 . . . . 373 GLY CA . 19451 1 7 . 1 1 4 4 GLY N N 15 110.743 0.300 . 1 . . . . 373 GLY N . 19451 1 8 . 1 1 5 5 ALA H H 1 8.119 0.020 . 1 . . . . 374 ALA H . 19451 1 9 . 1 1 5 5 ALA CA C 13 52.643 0.300 . 1 . . . . 374 ALA CA . 19451 1 10 . 1 1 5 5 ALA CB C 13 19.369 0.300 . 1 . . . . 374 ALA CB . 19451 1 11 . 1 1 5 5 ALA N N 15 123.796 0.300 . 1 . . . . 374 ALA N . 19451 1 12 . 1 1 6 6 SER H H 1 8.317 0.020 . 1 . . . . 375 SER H . 19451 1 13 . 1 1 6 6 SER CA C 13 58.474 0.300 . 1 . . . . 375 SER CA . 19451 1 14 . 1 1 6 6 SER CB C 13 63.893 0.300 . 1 . . . . 375 SER CB . 19451 1 15 . 1 1 6 6 SER N N 15 115.004 0.300 . 1 . . . . 375 SER N . 19451 1 16 . 1 1 7 7 ASP H H 1 8.185 0.020 . 1 . . . . 376 ASP H . 19451 1 17 . 1 1 7 7 ASP CA C 13 54.243 0.300 . 1 . . . . 376 ASP CA . 19451 1 18 . 1 1 7 7 ASP CB C 13 41.087 0.300 . 1 . . . . 376 ASP CB . 19451 1 19 . 1 1 7 7 ASP N N 15 122.075 0.300 . 1 . . . . 376 ASP N . 19451 1 20 . 1 1 8 8 ALA H H 1 7.984 0.020 . 1 . . . . 377 ALA H . 19451 1 21 . 1 1 8 8 ALA CA C 13 52.336 0.300 . 1 . . . . 377 ALA CA . 19451 1 22 . 1 1 8 8 ALA CB C 13 19.312 0.300 . 1 . . . . 377 ALA CB . 19451 1 23 . 1 1 8 8 ALA N N 15 123.651 0.300 . 1 . . . . 377 ALA N . 19451 1 24 . 1 1 9 9 LYS H H 1 8.164 0.020 . 1 . . . . 378 LYS H . 19451 1 25 . 1 1 9 9 LYS CA C 13 54.178 0.300 . 1 . . . . 378 LYS CA . 19451 1 26 . 1 1 9 9 LYS CB C 13 32.434 0.300 . 1 . . . . 378 LYS CB . 19451 1 27 . 1 1 9 9 LYS N N 15 122.141 0.300 . 1 . . . . 378 LYS N . 19451 1 28 . 1 1 11 11 VAL H H 1 8.171 0.020 . 1 . . . . 380 VAL H . 19451 1 29 . 1 1 11 11 VAL CA C 13 62.376 0.300 . 1 . . . . 380 VAL CA . 19451 1 30 . 1 1 11 11 VAL CB C 13 32.549 0.300 . 1 . . . . 380 VAL CB . 19451 1 31 . 1 1 11 11 VAL N N 15 120.602 0.300 . 1 . . . . 380 VAL N . 19451 1 32 . 1 1 12 12 GLU H H 1 8.395 0.020 . 1 . . . . 381 GLU H . 19451 1 33 . 1 1 12 12 GLU CA C 13 56.260 0.300 . 1 . . . . 381 GLU CA . 19451 1 34 . 1 1 12 12 GLU CB C 13 30.543 0.300 . 1 . . . . 381 GLU CB . 19451 1 35 . 1 1 12 12 GLU N N 15 124.750 0.300 . 1 . . . . 381 GLU N . 19451 1 36 . 1 1 13 13 SER H H 1 8.398 0.020 . 1 . . . . 382 SER H . 19451 1 37 . 1 1 13 13 SER CA C 13 56.216 0.300 . 1 . . . . 382 SER CA . 19451 1 38 . 1 1 13 13 SER CB C 13 63.492 0.300 . 1 . . . . 382 SER CB . 19451 1 39 . 1 1 13 13 SER N N 15 118.580 0.300 . 1 . . . . 382 SER N . 19451 1 40 . 1 1 15 15 GLY H H 1 8.260 0.020 . 1 . . . . 384 GLY H . 19451 1 41 . 1 1 15 15 GLY CA C 13 44.883 0.300 . 1 . . . . 384 GLY CA . 19451 1 42 . 1 1 15 15 GLY N N 15 108.836 0.300 . 1 . . . . 384 GLY N . 19451 1 43 . 1 1 16 16 ASP H H 1 8.048 0.020 . 1 . . . . 385 ASP H . 19451 1 44 . 1 1 16 16 ASP CA C 13 51.898 0.300 . 1 . . . . 385 ASP CA . 19451 1 45 . 1 1 16 16 ASP CB C 13 41.774 0.300 . 1 . . . . 385 ASP CB . 19451 1 46 . 1 1 16 16 ASP N N 15 121.633 0.300 . 1 . . . . 385 ASP N . 19451 1 47 . 1 1 18 18 ASN H H 1 8.468 0.020 . 1 . . . . 387 ASN H . 19451 1 48 . 1 1 18 18 ASN CA C 13 53.936 0.300 . 1 . . . . 387 ASN CA . 19451 1 49 . 1 1 18 18 ASN CB C 13 38.565 0.300 . 1 . . . . 387 ASN CB . 19451 1 50 . 1 1 18 18 ASN N N 15 116.943 0.300 . 1 . . . . 387 ASN N . 19451 1 51 . 1 1 19 19 GLN H H 1 7.893 0.020 . 1 . . . . 388 GLN H . 19451 1 52 . 1 1 19 19 GLN CA C 13 56.589 0.300 . 1 . . . . 388 GLN CA . 19451 1 53 . 1 1 19 19 GLN CB C 13 28.996 0.300 . 1 . . . . 388 GLN CB . 19451 1 54 . 1 1 19 19 GLN N N 15 119.178 0.300 . 1 . . . . 388 GLN N . 19451 1 55 . 1 1 20 20 LEU H H 1 8.056 0.020 . 1 . . . . 389 LEU H . 19451 1 56 . 1 1 20 20 LEU CA C 13 56.041 0.300 . 1 . . . . 389 LEU CA . 19451 1 57 . 1 1 20 20 LEU CB C 13 41.660 0.300 . 1 . . . . 389 LEU CB . 19451 1 58 . 1 1 20 20 LEU N N 15 121.277 0.300 . 1 . . . . 389 LEU N . 19451 1 59 . 1 1 21 21 THR H H 1 7.913 0.020 . 1 . . . . 390 THR H . 19451 1 60 . 1 1 21 21 THR CA C 13 62.157 0.300 . 1 . . . . 390 THR CA . 19451 1 61 . 1 1 21 21 THR CB C 13 69.680 0.300 . 1 . . . . 390 THR CB . 19451 1 62 . 1 1 21 21 THR N N 15 113.302 0.300 . 1 . . . . 390 THR N . 19451 1 63 . 1 1 22 22 ARG H H 1 8.090 0.020 . 1 . . . . 391 ARG H . 19451 1 64 . 1 1 22 22 ARG CA C 13 56.479 0.300 . 1 . . . . 391 ARG CA . 19451 1 65 . 1 1 22 22 ARG CB C 13 30.600 0.300 . 1 . . . . 391 ARG CB . 19451 1 66 . 1 1 22 22 ARG N N 15 122.691 0.300 . 1 . . . . 391 ARG N . 19451 1 67 . 1 1 23 23 LYS H H 1 7.907 0.020 . 1 . . . . 392 LYS H . 19451 1 68 . 1 1 23 23 LYS CA C 13 56.764 0.300 . 1 . . . . 392 LYS CA . 19451 1 69 . 1 1 23 23 LYS CB C 13 32.778 0.300 . 1 . . . . 392 LYS CB . 19451 1 70 . 1 1 23 23 LYS N N 15 119.463 0.300 . 1 . . . . 392 LYS N . 19451 1 71 . 1 1 24 24 GLY H H 1 8.314 0.020 . 1 . . . . 393 GLY H . 19451 1 72 . 1 1 24 24 GLY CA C 13 45.431 0.300 . 1 . . . . 393 GLY CA . 19451 1 73 . 1 1 24 24 GLY N N 15 109.788 0.300 . 1 . . . . 393 GLY N . 19451 1 74 . 1 1 25 25 ARG H H 1 8.052 0.020 . 1 . . . . 394 ARG H . 19451 1 75 . 1 1 25 25 ARG CA C 13 55.975 0.300 . 1 . . . . 394 ARG CA . 19451 1 76 . 1 1 25 25 ARG CB C 13 31.059 0.300 . 1 . . . . 394 ARG CB . 19451 1 77 . 1 1 25 25 ARG N N 15 120.352 0.300 . 1 . . . . 394 ARG N . 19451 1 78 . 1 1 26 26 LYS H H 1 8.348 0.020 . 1 . . . . 395 LYS H . 19451 1 79 . 1 1 26 26 LYS CA C 13 56.172 0.300 . 1 . . . . 395 LYS CA . 19451 1 80 . 1 1 26 26 LYS CB C 13 33.179 0.300 . 1 . . . . 395 LYS CB . 19451 1 81 . 1 1 26 26 LYS N N 15 123.053 0.300 . 1 . . . . 395 LYS N . 19451 1 82 . 1 1 27 27 ARG H H 1 8.375 0.020 . 1 . . . . 396 ARG H . 19451 1 83 . 1 1 27 27 ARG N N 15 122.854 0.300 . 1 . . . . 396 ARG N . 19451 1 84 . 1 1 28 28 LYS H H 1 8.412 0.020 . 1 . . . . 397 LYS H . 19451 1 85 . 1 1 28 28 LYS CA C 13 56.194 0.300 . 1 . . . . 397 LYS CA . 19451 1 86 . 1 1 28 28 LYS CB C 13 33.236 0.300 . 1 . . . . 397 LYS CB . 19451 1 87 . 1 1 28 28 LYS N N 15 123.324 0.300 . 1 . . . . 397 LYS N . 19451 1 88 . 1 1 29 29 THR H H 1 8.144 0.020 . 1 . . . . 398 THR H . 19451 1 89 . 1 1 29 29 THR CA C 13 61.762 0.300 . 1 . . . . 398 THR CA . 19451 1 90 . 1 1 29 29 THR N N 15 116.410 0.300 . 1 . . . . 398 THR N . 19451 1 91 . 1 1 30 30 VAL H H 1 8.151 0.020 . 1 . . . . 399 VAL H . 19451 1 92 . 1 1 30 30 VAL CA C 13 61.455 0.300 . 1 . . . . 399 VAL CA . 19451 1 93 . 1 1 30 30 VAL N N 15 117.987 0.300 . 1 . . . . 399 VAL N . 19451 1 94 . 1 1 31 31 THR H H 1 7.957 0.020 . 1 . . . . 400 THR H . 19451 1 95 . 1 1 31 31 THR CA C 13 62.091 0.300 . 1 . . . . 400 THR CA . 19451 1 96 . 1 1 31 31 THR N N 15 117.553 0.300 . 1 . . . . 400 THR N . 19451 1 97 . 1 1 34 34 GLU H H 1 8.363 0.020 . 1 . . . . 403 GLU H . 19451 1 98 . 1 1 34 34 GLU CA C 13 56.986 0.300 . 1 . . . . 403 GLU CA . 19451 1 99 . 1 1 34 34 GLU CB C 13 30.314 0.300 . 1 . . . . 403 GLU CB . 19451 1 100 . 1 1 34 34 GLU N N 15 120.510 0.300 . 1 . . . . 403 GLU N . 19451 1 101 . 1 1 35 35 GLU H H 1 8.077 0.020 . 1 . . . . 404 GLU H . 19451 1 102 . 1 1 35 35 GLU CA C 13 56.329 0.300 . 1 . . . . 404 GLU CA . 19451 1 103 . 1 1 35 35 GLU CB C 13 30.724 0.300 . 1 . . . . 404 GLU CB . 19451 1 104 . 1 1 35 35 GLU N N 15 121.623 0.300 . 1 . . . . 404 GLU N . 19451 1 105 . 1 1 36 36 GLY H H 1 8.396 0.020 . 1 . . . . 405 GLY H . 19451 1 106 . 1 1 36 36 GLY CA C 13 45.560 0.300 . 1 . . . . 405 GLY CA . 19451 1 107 . 1 1 36 36 GLY N N 15 109.169 0.300 . 1 . . . . 405 GLY N . 19451 1 108 . 1 1 38 38 LEU H H 1 7.875 0.020 . 1 . . . . 407 LEU H . 19451 1 109 . 1 1 38 38 LEU CA C 13 52.272 0.300 . 1 . . . . 407 LEU CA . 19451 1 110 . 1 1 38 38 LEU CB C 13 42.143 0.300 . 1 . . . . 407 LEU CB . 19451 1 111 . 1 1 38 38 LEU N N 15 120.369 0.300 . 1 . . . . 407 LEU N . 19451 1 112 . 1 1 47 47 ASP H H 1 8.363 0.020 . 1 . . . . 416 ASP H . 19451 1 113 . 1 1 47 47 ASP CA C 13 54.397 0.300 . 1 . . . . 416 ASP CA . 19451 1 114 . 1 1 47 47 ASP CB C 13 41.373 0.300 . 1 . . . . 416 ASP CB . 19451 1 115 . 1 1 47 47 ASP N N 15 121.427 0.300 . 1 . . . . 416 ASP N . 19451 1 116 . 1 1 48 48 GLU H H 1 8.477 0.020 . 1 . . . . 417 GLU H . 19451 1 117 . 1 1 48 48 GLU CA C 13 57.663 0.300 . 1 . . . . 417 GLU CA . 19451 1 118 . 1 1 48 48 GLU CB C 13 30.027 0.300 . 1 . . . . 417 GLU CB . 19451 1 119 . 1 1 48 48 GLU N N 15 121.649 0.300 . 1 . . . . 417 GLU N . 19451 1 120 . 1 1 49 49 THR H H 1 8.144 0.020 . 1 . . . . 418 THR H . 19451 1 121 . 1 1 49 49 THR CA C 13 63.472 0.300 . 1 . . . . 418 THR CA . 19451 1 122 . 1 1 49 49 THR CB C 13 69.565 0.300 . 1 . . . . 418 THR CB . 19451 1 123 . 1 1 49 49 THR N N 15 113.784 0.300 . 1 . . . . 418 THR N . 19451 1 124 . 1 1 50 50 GLU H H 1 8.133 0.020 . 1 . . . . 419 GLU H . 19451 1 125 . 1 1 50 50 GLU CA C 13 56.961 0.300 . 1 . . . . 419 GLU CA . 19451 1 126 . 1 1 50 50 GLU CB C 13 30.256 0.300 . 1 . . . . 419 GLU CB . 19451 1 127 . 1 1 50 50 GLU N N 15 121.921 0.300 . 1 . . . . 419 GLU N . 19451 1 128 . 1 1 52 52 VAL H H 1 7.909 0.020 . 1 . . . . 421 VAL H . 19451 1 129 . 1 1 52 52 VAL CA C 13 62.792 0.300 . 1 . . . . 421 VAL CA . 19451 1 130 . 1 1 52 52 VAL CB C 13 32.606 0.300 . 1 . . . . 421 VAL CB . 19451 1 131 . 1 1 52 52 VAL N N 15 119.485 0.300 . 1 . . . . 421 VAL N . 19451 1 132 . 1 1 53 53 ASN H H 1 8.287 0.020 . 1 . . . . 422 ASN H . 19451 1 133 . 1 1 53 53 ASN CA C 13 53.301 0.300 . 1 . . . . 422 ASN CA . 19451 1 134 . 1 1 53 53 ASN CB C 13 38.680 0.300 . 1 . . . . 422 ASN CB . 19451 1 135 . 1 1 53 53 ASN N N 15 121.690 0.300 . 1 . . . . 422 ASN N . 19451 1 136 . 1 1 54 54 VAL H H 1 8.011 0.020 . 1 . . . . 423 VAL H . 19451 1 137 . 1 1 54 54 VAL CA C 13 63.099 0.300 . 1 . . . . 423 VAL CA . 19451 1 138 . 1 1 54 54 VAL CB C 13 32.319 0.300 . 1 . . . . 423 VAL CB . 19451 1 139 . 1 1 54 54 VAL N N 15 120.025 0.300 . 1 . . . . 423 VAL N . 19451 1 140 . 1 1 55 55 ASN H H 1 8.283 0.020 . 1 . . . . 424 ASN H . 19451 1 141 . 1 1 55 55 ASN CA C 13 53.695 0.300 . 1 . . . . 424 ASN CA . 19451 1 142 . 1 1 55 55 ASN CB C 13 38.737 0.300 . 1 . . . . 424 ASN CB . 19451 1 143 . 1 1 55 55 ASN N N 15 120.534 0.300 . 1 . . . . 424 ASN N . 19451 1 144 . 1 1 56 56 LYS H H 1 7.981 0.020 . 1 . . . . 425 LYS H . 19451 1 145 . 1 1 56 56 LYS CA C 13 56.633 0.300 . 1 . . . . 425 LYS CA . 19451 1 146 . 1 1 56 56 LYS CB C 13 32.950 0.300 . 1 . . . . 425 LYS CB . 19451 1 147 . 1 1 56 56 LYS N N 15 121.023 0.300 . 1 . . . . 425 LYS N . 19451 1 148 . 1 1 57 57 ILE H H 1 7.906 0.020 . 1 . . . . 426 ILE H . 19451 1 149 . 1 1 57 57 ILE CA C 13 61.521 0.300 . 1 . . . . 426 ILE CA . 19451 1 150 . 1 1 57 57 ILE CB C 13 38.221 0.300 . 1 . . . . 426 ILE CB . 19451 1 151 . 1 1 57 57 ILE N N 15 121.245 0.300 . 1 . . . . 426 ILE N . 19451 1 152 . 1 1 58 58 LYS H H 1 8.149 0.020 . 1 . . . . 427 LYS H . 19451 1 153 . 1 1 58 58 LYS CA C 13 56.633 0.300 . 1 . . . . 427 LYS CA . 19451 1 154 . 1 1 58 58 LYS CB C 13 33.007 0.300 . 1 . . . . 427 LYS CB . 19451 1 155 . 1 1 58 58 LYS N N 15 124.633 0.300 . 1 . . . . 427 LYS N . 19451 1 156 . 1 1 59 59 ASP H H 1 8.064 0.020 . 1 . . . . 428 ASP H . 19451 1 157 . 1 1 59 59 ASP CA C 13 54.265 0.300 . 1 . . . . 428 ASP CA . 19451 1 158 . 1 1 59 59 ASP CB C 13 41.373 0.300 . 1 . . . . 428 ASP CB . 19451 1 159 . 1 1 59 59 ASP N N 15 120.766 0.300 . 1 . . . . 428 ASP N . 19451 1 160 . 1 1 60 60 PHE H H 1 8.173 0.020 . 1 . . . . 429 PHE H . 19451 1 161 . 1 1 60 60 PHE CA C 13 58.255 0.300 . 1 . . . . 429 PHE CA . 19451 1 162 . 1 1 60 60 PHE CB C 13 39.167 0.300 . 1 . . . . 429 PHE CB . 19451 1 163 . 1 1 60 60 PHE N N 15 121.135 0.300 . 1 . . . . 429 PHE N . 19451 1 164 . 1 1 61 61 GLY H H 1 8.311 0.020 . 1 . . . . 430 GLY H . 19451 1 165 . 1 1 61 61 GLY CA C 13 45.475 0.300 . 1 . . . . 430 GLY CA . 19451 1 166 . 1 1 61 61 GLY N N 15 109.803 0.300 . 1 . . . . 430 GLY N . 19451 1 167 . 1 1 62 62 GLU H H 1 8.172 0.020 . 1 . . . . 431 GLU H . 19451 1 168 . 1 1 62 62 GLU CA C 13 57.137 0.300 . 1 . . . . 431 GLU CA . 19451 1 169 . 1 1 62 62 GLU CB C 13 30.085 0.300 . 1 . . . . 431 GLU CB . 19451 1 170 . 1 1 62 62 GLU N N 15 120.769 0.300 . 1 . . . . 431 GLU N . 19451 1 171 . 1 1 63 63 ALA H H 1 8.227 0.020 . 1 . . . . 432 ALA H . 19451 1 172 . 1 1 63 63 ALA CA C 13 53.432 0.300 . 1 . . . . 432 ALA CA . 19451 1 173 . 1 1 63 63 ALA CB C 13 19.255 0.300 . 1 . . . . 432 ALA CB . 19451 1 174 . 1 1 63 63 ALA N N 15 123.753 0.300 . 1 . . . . 432 ALA N . 19451 1 175 . 1 1 64 64 ALA H H 1 7.980 0.020 . 1 . . . . 433 ALA H . 19451 1 176 . 1 1 64 64 ALA CA C 13 53.082 0.300 . 1 . . . . 433 ALA CA . 19451 1 177 . 1 1 64 64 ALA CB C 13 19.052 0.300 . 1 . . . . 433 ALA CB . 19451 1 178 . 1 1 64 64 ALA N N 15 121.608 0.300 . 1 . . . . 433 ALA N . 19451 1 179 . 1 1 65 65 LYS H H 1 7.912 0.020 . 1 . . . . 434 LYS H . 19451 1 180 . 1 1 65 65 LYS N N 15 119.312 0.300 . 1 . . . . 434 LYS N . 19451 1 181 . 1 1 66 66 ARG H H 1 8.346 0.020 . 1 . . . . 435 ARG H . 19451 1 182 . 1 1 66 66 ARG CA C 13 56.041 0.300 . 1 . . . . 435 ARG CA . 19451 1 183 . 1 1 66 66 ARG CB C 13 30.944 0.300 . 1 . . . . 435 ARG CB . 19451 1 184 . 1 1 66 66 ARG N N 15 122.898 0.300 . 1 . . . . 435 ARG N . 19451 1 185 . 1 1 67 67 GLU H H 1 7.902 0.020 . 1 . . . . 436 GLU H . 19451 1 186 . 1 1 67 67 GLU CA C 13 57.948 0.300 . 1 . . . . 436 GLU CA . 19451 1 187 . 1 1 67 67 GLU CB C 13 33.465 0.300 . 1 . . . . 436 GLU CB . 19451 1 188 . 1 1 67 67 GLU N N 15 127.502 0.300 . 1 . . . . 436 GLU N . 19451 1 189 . 1 1 69 69 LEU H H 1 8.168 0.020 . 1 . . . . 438 LEU H . 19451 1 190 . 1 1 69 69 LEU CA C 13 55.260 0.300 . 1 . . . . 438 LEU CA . 19451 1 191 . 1 1 69 69 LEU CB C 13 42.171 0.300 . 1 . . . . 438 LEU CB . 19451 1 192 . 1 1 69 69 LEU N N 15 124.983 0.300 . 1 . . . . 438 LEU N . 19451 1 193 . 1 1 70 70 SER H H 1 8.106 0.020 . 1 . . . . 439 SER H . 19451 1 194 . 1 1 70 70 SER CA C 13 58.715 0.300 . 1 . . . . 439 SER CA . 19451 1 195 . 1 1 70 70 SER CB C 13 63.835 0.300 . 1 . . . . 439 SER CB . 19451 1 196 . 1 1 70 70 SER N N 15 115.995 0.300 . 1 . . . . 439 SER N . 19451 1 197 . 1 1 73 73 HIS H H 1 8.258 0.020 . 1 . . . . 442 HIS H . 19451 1 198 . 1 1 73 73 HIS CA C 13 56.940 0.300 . 1 . . . . 442 HIS CA . 19451 1 199 . 1 1 73 73 HIS CB C 13 29.512 0.300 . 1 . . . . 442 HIS CB . 19451 1 200 . 1 1 73 73 HIS N N 15 118.955 0.300 . 1 . . . . 442 HIS N . 19451 1 201 . 1 1 74 74 ALA H H 1 8.054 0.020 . 1 . . . . 443 ALA H . 19451 1 202 . 1 1 74 74 ALA CA C 13 53.520 0.300 . 1 . . . . 443 ALA CA . 19451 1 203 . 1 1 74 74 ALA CB C 13 19.255 0.300 . 1 . . . . 443 ALA CB . 19451 1 204 . 1 1 74 74 ALA N N 15 123.791 0.300 . 1 . . . . 443 ALA N . 19451 1 205 . 1 1 75 75 PHE H H 1 8.030 0.020 . 1 . . . . 444 PHE H . 19451 1 206 . 1 1 75 75 PHE CA C 13 58.540 0.300 . 1 . . . . 444 PHE CA . 19451 1 207 . 1 1 75 75 PHE CB C 13 39.253 0.300 . 1 . . . . 444 PHE CB . 19451 1 208 . 1 1 75 75 PHE N N 15 118.412 0.300 . 1 . . . . 444 PHE N . 19451 1 209 . 1 1 76 76 GLU H H 1 8.173 0.020 . 1 . . . . 445 GLU H . 19451 1 210 . 1 1 76 76 GLU CA C 13 57.290 0.300 . 1 . . . . 445 GLU CA . 19451 1 211 . 1 1 76 76 GLU CB C 13 30.199 0.300 . 1 . . . . 445 GLU CB . 19451 1 212 . 1 1 76 76 GLU N N 15 120.844 0.300 . 1 . . . . 445 GLU N . 19451 1 213 . 1 1 77 77 THR H H 1 8.013 0.020 . 1 . . . . 446 THR H . 19451 1 214 . 1 1 77 77 THR CA C 13 63.165 0.300 . 1 . . . . 446 THR CA . 19451 1 215 . 1 1 77 77 THR CB C 13 69.565 0.300 . 1 . . . . 446 THR CB . 19451 1 216 . 1 1 77 77 THR N N 15 114.894 0.300 . 1 . . . . 446 THR N . 19451 1 217 . 1 1 78 78 ALA H H 1 8.016 0.020 . 1 . . . . 447 ALA H . 19451 1 218 . 1 1 78 78 ALA CA C 13 53.063 0.300 . 1 . . . . 447 ALA CA . 19451 1 219 . 1 1 78 78 ALA CB C 13 19.083 0.300 . 1 . . . . 447 ALA CB . 19451 1 220 . 1 1 78 78 ALA N N 15 125.051 0.300 . 1 . . . . 447 ALA N . 19451 1 221 . 1 1 79 79 ARG H H 1 7.995 0.020 . 1 . . . . 448 ARG H . 19451 1 222 . 1 1 79 79 ARG CA C 13 56.479 0.300 . 1 . . . . 448 ARG CA . 19451 1 223 . 1 1 79 79 ARG CB C 13 30.543 0.300 . 1 . . . . 448 ARG CB . 19451 1 224 . 1 1 79 79 ARG N N 15 119.413 0.300 . 1 . . . . 448 ARG N . 19451 1 225 . 1 1 80 80 ARG H H 1 8.214 0.020 . 1 . . . . 449 ARG H . 19451 1 226 . 1 1 80 80 ARG N N 15 121.577 0.300 . 1 . . . . 449 ARG N . 19451 1 227 . 1 1 81 81 LEU H H 1 8.145 0.020 . 1 . . . . 450 LEU H . 19451 1 228 . 1 1 81 81 LEU CA C 13 55.164 0.300 . 1 . . . . 450 LEU CA . 19451 1 229 . 1 1 81 81 LEU CB C 13 42.233 0.300 . 1 . . . . 450 LEU CB . 19451 1 230 . 1 1 81 81 LEU N N 15 122.667 0.300 . 1 . . . . 450 LEU N . 19451 1 231 . 1 1 82 82 SER H H 1 8.027 0.020 . 1 . . . . 451 SER H . 19451 1 232 . 1 1 82 82 SER CA C 13 58.145 0.300 . 1 . . . . 451 SER CA . 19451 1 233 . 1 1 82 82 SER CB C 13 63.893 0.300 . 1 . . . . 451 SER CB . 19451 1 234 . 1 1 82 82 SER N N 15 115.698 0.300 . 1 . . . . 451 SER N . 19451 1 235 . 1 1 83 83 HIS H H 1 8.181 0.020 . 1 . . . . 452 HIS H . 19451 1 236 . 1 1 83 83 HIS CA C 13 55.361 0.300 . 1 . . . . 452 HIS CA . 19451 1 237 . 1 1 83 83 HIS CB C 13 29.970 0.300 . 1 . . . . 452 HIS CB . 19451 1 238 . 1 1 83 83 HIS N N 15 119.910 0.300 . 1 . . . . 452 HIS N . 19451 1 239 . 1 1 84 84 ASP H H 1 8.115 0.020 . 1 . . . . 453 ASP H . 19451 1 240 . 1 1 84 84 ASP CA C 13 55.931 0.300 . 1 . . . . 453 ASP CA . 19451 1 241 . 1 1 84 84 ASP CB C 13 41.946 0.300 . 1 . . . . 453 ASP CB . 19451 1 242 . 1 1 84 84 ASP N N 15 126.612 0.300 . 1 . . . . 453 ASP N . 19451 1 stop_ save_