################################### # 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 51315 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name assigned_chemical_shifts _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' . . . 51315 1 2 '2D 1H-13C HSQC/HMQC' . . . 51315 1 3 '3D HNCACB' . . . 51315 1 4 HNCANNH . . . 51315 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 1 $software_1 . . 51315 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 GLY H H 1 8.146 . . . . . . . . 454 G HN . 51315 1 2 . 1 . 1 1 1 GLY CA C 13 44.517 . . . . . . . . 454 G CA . 51315 1 3 . 1 . 1 1 1 GLY N N 15 110.119 . . . . . . . . 454 G N . 51315 1 4 . 1 . 1 2 2 PRO CA C 13 63.495 . . . . . . . . 455 P CA . 51315 1 5 . 1 . 1 2 2 PRO CB C 13 32.016 . . . . . . . . 455 P CB . 51315 1 6 . 1 . 1 3 3 GLY H H 1 8.499 . . . . . . . . 456 G HN . 51315 1 7 . 1 . 1 3 3 GLY CA C 13 45.379 . . . . . . . . 456 G CA . 51315 1 8 . 1 . 1 3 3 GLY N N 15 109.554 . . . . . . . . 456 G N . 51315 1 9 . 1 . 1 4 4 GLY H H 1 8.169 . . . . . . . . 457 G HN . 51315 1 10 . 1 . 1 4 4 GLY CA C 13 45.163 . . . . . . . . 457 G CA . 51315 1 11 . 1 . 1 4 4 GLY N N 15 108.438 . . . . . . . . 457 G N . 51315 1 12 . 1 . 1 5 5 GLY H H 1 8.089 . . . . . . . . 458 G HN . 51315 1 13 . 1 . 1 5 5 GLY CA C 13 44.518 . . . . . . . . 458 G CA . 51315 1 14 . 1 . 1 5 5 GLY N N 15 108.698 . . . . . . . . 458 G N . 51315 1 15 . 1 . 1 6 6 PRO CA C 13 63.502 . . . . . . . . 459 P CA . 51315 1 16 . 1 . 1 6 6 PRO CB C 13 32.008 . . . . . . . . 459 P CB . 51315 1 17 . 1 . 1 7 7 GLY H H 1 8.513 . . . . . . . . 460 G HN . 51315 1 18 . 1 . 1 7 7 GLY CA C 13 45.372 . . . . . . . . 460 G CA . 51315 1 19 . 1 . 1 7 7 GLY N N 15 109.563 . . . . . . . . 460 G N . 51315 1 20 . 1 . 1 8 8 GLY H H 1 8.127 . . . . . . . . 461 G HN . 51315 1 21 . 1 . 1 8 8 GLY CA C 13 45.248 . . . . . . . . 461 G CA . 51315 1 22 . 1 . 1 8 8 GLY N N 15 108.532 . . . . . . . . 461 G N . 51315 1 23 . 1 . 1 9 9 SER H H 1 8.125 . . . . . . . . 462 S HN . 51315 1 24 . 1 . 1 9 9 SER CA C 13 58.320 . . . . . . . . 462 S CA . 51315 1 25 . 1 . 1 9 9 SER CB C 13 63.787 . . . . . . . . 462 S CB . 51315 1 26 . 1 . 1 9 9 SER N N 15 115.280 . . . . . . . . 462 S N . 51315 1 27 . 1 . 1 10 10 HIS H H 1 8.467 . . . . . . . . 463 H HN . 51315 1 28 . 1 . 1 10 10 HIS CA C 13 55.738 . . . . . . . . 463 H CA . 51315 1 29 . 1 . 1 10 10 HIS CB C 13 29.683 . . . . . . . . 463 H CB . 51315 1 30 . 1 . 1 10 10 HIS N N 15 120.573 . . . . . . . . 463 H N . 51315 1 31 . 1 . 1 11 11 MET H H 1 8.277 . . . . . . . . 464 M HN . 51315 1 32 . 1 . 1 11 11 MET CA C 13 55.512 . . . . . . . . 464 M CA . 51315 1 33 . 1 . 1 11 11 MET CB C 13 32.717 . . . . . . . . 464 M CB . 51315 1 34 . 1 . 1 11 11 MET N N 15 121.358 . . . . . . . . 464 M N . 51315 1 35 . 1 . 1 12 12 GLY H H 1 8.370 . . . . . . . . 465 G HN . 51315 1 36 . 1 . 1 12 12 GLY CA C 13 45.168 . . . . . . . . 465 G CA . 51315 1 37 . 1 . 1 12 12 GLY N N 15 110.016 . . . . . . . . 465 G N . 51315 1 38 . 1 . 1 13 13 GLY H H 1 8.164 . . . . . . . . 466 G HN . 51315 1 39 . 1 . 1 13 13 GLY CA C 13 45.146 . . . . . . . . 466 G CA . 51315 1 40 . 1 . 1 13 13 GLY N N 15 108.287 . . . . . . . . 466 G N . 51315 1 41 . 1 . 1 14 14 ASN H H 1 8.249 . . . . . . . . 467 N HN . 51315 1 42 . 1 . 1 14 14 ASN CA C 13 52.971 . . . . . . . . 467 N CA . 51315 1 43 . 1 . 1 14 14 ASN CB C 13 38.693 . . . . . . . . 467 N CB . 51315 1 44 . 1 . 1 14 14 ASN N N 15 118.606 . . . . . . . . 467 N N . 51315 1 45 . 1 . 1 15 15 TYR H H 1 8.165 . . . . . . . . 468 Y HN . 51315 1 46 . 1 . 1 15 15 TYR CA C 13 58.129 . . . . . . . . 468 Y CA . 51315 1 47 . 1 . 1 15 15 TYR CB C 13 38.620 . . . . . . . . 468 Y CB . 51315 1 48 . 1 . 1 15 15 TYR N N 15 120.659 . . . . . . . . 468 Y N . 51315 1 49 . 1 . 1 16 16 GLY H H 1 8.235 . . . . . . . . 469 G HN . 51315 1 50 . 1 . 1 16 16 GLY CA C 13 45.385 . . . . . . . . 469 G CA . 51315 1 51 . 1 . 1 16 16 GLY N N 15 111.139 . . . . . . . . 469 G N . 51315 1 52 . 1 . 1 17 17 ASP H H 1 8.092 . . . . . . . . 470 D HN . 51315 1 53 . 1 . 1 17 17 ASP CA C 13 54.453 . . . . . . . . 470 D CA . 51315 1 54 . 1 . 1 17 17 ASP CB C 13 41.256 . . . . . . . . 470 D CB . 51315 1 55 . 1 . 1 17 17 ASP N N 15 120.479 . . . . . . . . 470 D N . 51315 1 56 . 1 . 1 18 18 ASP H H 1 8.309 . . . . . . . . 471 D HN . 51315 1 57 . 1 . 1 18 18 ASP CA C 13 54.608 . . . . . . . . 471 D CA . 51315 1 58 . 1 . 1 18 18 ASP CB C 13 40.850 . . . . . . . . 471 D CB . 51315 1 59 . 1 . 1 18 18 ASP N N 15 120.675 . . . . . . . . 471 D N . 51315 1 60 . 1 . 1 19 19 ARG H H 1 8.193 . . . . . . . . 472 R HN . 51315 1 61 . 1 . 1 19 19 ARG CA C 13 56.391 . . . . . . . . 472 R CA . 51315 1 62 . 1 . 1 19 19 ARG CB C 13 30.253 . . . . . . . . 472 R CB . 51315 1 63 . 1 . 1 19 19 ARG N N 15 120.649 . . . . . . . . 472 R N . 51315 1 64 . 1 . 1 20 20 ARG H H 1 8.199 . . . . . . . . 473 R HN . 51315 1 65 . 1 . 1 20 20 ARG CA C 13 56.306 . . . . . . . . 473 R CA . 51315 1 66 . 1 . 1 20 20 ARG CB C 13 30.293 . . . . . . . . 473 R CB . 51315 1 67 . 1 . 1 20 20 ARG N N 15 120.646 . . . . . . . . 473 R N . 51315 1 68 . 1 . 1 21 21 GLY H H 1 8.326 . . . . . . . . 474 G HN . 51315 1 69 . 1 . 1 21 21 GLY CA C 13 45.383 . . . . . . . . 474 G CA . 51315 1 70 . 1 . 1 21 21 GLY N N 15 109.314 . . . . . . . . 474 G N . 51315 1 71 . 1 . 1 22 22 GLY H H 1 8.203 . . . . . . . . 475 G HN . 51315 1 72 . 1 . 1 22 22 GLY CA C 13 45.173 . . . . . . . . 475 G CA . 51315 1 73 . 1 . 1 22 22 GLY N N 15 108.537 . . . . . . . . 475 G N . 51315 1 74 . 1 . 1 23 23 ARG H H 1 8.232 . . . . . . . . 476 R HN . 51315 1 75 . 1 . 1 23 23 ARG CA C 13 56.351 . . . . . . . . 476 R CA . 51315 1 76 . 1 . 1 23 23 ARG CB C 13 30.550 . . . . . . . . 476 R CB . 51315 1 77 . 1 . 1 23 23 ARG N N 15 120.391 . . . . . . . . 476 R N . 51315 1 78 . 1 . 1 24 24 GLY H H 1 8.418 . . . . . . . . 477 G HN . 51315 1 79 . 1 . 1 24 24 GLY CA C 13 45.386 . . . . . . . . 477 G CA . 51315 1 80 . 1 . 1 24 24 GLY N N 15 109.650 . . . . . . . . 477 G N . 51315 1 81 . 1 . 1 25 25 GLY H H 1 8.139 . . . . . . . . 478 G HN . 51315 1 82 . 1 . 1 25 25 GLY CA C 13 45.166 . . . . . . . . 478 G CA . 51315 1 83 . 1 . 1 25 25 GLY N N 15 108.359 . . . . . . . . 478 G N . 51315 1 84 . 1 . 1 26 26 TYR H H 1 7.980 . . . . . . . . 479 Y HN . 51315 1 85 . 1 . 1 26 26 TYR CA C 13 57.886 . . . . . . . . 479 Y CA . 51315 1 86 . 1 . 1 26 26 TYR CB C 13 38.894 . . . . . . . . 479 Y CB . 51315 1 87 . 1 . 1 26 26 TYR N N 15 119.672 . . . . . . . . 479 Y N . 51315 1 88 . 1 . 1 27 27 ASP H H 1 8.293 . . . . . . . . 480 D HN . 51315 1 89 . 1 . 1 27 27 ASP CA C 13 54.166 . . . . . . . . 480 D CA . 51315 1 90 . 1 . 1 27 27 ASP CB C 13 41.167 . . . . . . . . 480 D CB . 51315 1 91 . 1 . 1 27 27 ASP N N 15 121.945 . . . . . . . . 480 D N . 51315 1 92 . 1 . 1 28 28 ARG H H 1 8.222 . . . . . . . . 481 R HN . 51315 1 93 . 1 . 1 28 28 ARG CA C 13 56.377 . . . . . . . . 481 R CA . 51315 1 94 . 1 . 1 28 28 ARG CB C 13 30.287 . . . . . . . . 481 R CB . 51315 1 95 . 1 . 1 28 28 ARG N N 15 121.887 . . . . . . . . 481 R N . 51315 1 96 . 1 . 1 29 29 GLY H H 1 8.412 . . . . . . . . 482 G HN . 51315 1 97 . 1 . 1 29 29 GLY CA C 13 45.498 . . . . . . . . 482 G CA . 51315 1 98 . 1 . 1 29 29 GLY N N 15 109.164 . . . . . . . . 482 G N . 51315 1 99 . 1 . 1 30 30 GLY H H 1 8.127 . . . . . . . . 483 G HN . 51315 1 100 . 1 . 1 30 30 GLY CA C 13 45.166 . . . . . . . . 483 G CA . 51315 1 101 . 1 . 1 30 30 GLY N N 15 108.538 . . . . . . . . 483 G N . 51315 1 102 . 1 . 1 31 31 TYR H H 1 8.060 . . . . . . . . 484 Y HN . 51315 1 103 . 1 . 1 31 31 TYR CA C 13 58.318 . . . . . . . . 484 Y CA . 51315 1 104 . 1 . 1 31 31 TYR CB C 13 38.697 . . . . . . . . 484 Y CB . 51315 1 105 . 1 . 1 31 31 TYR N N 15 120.392 . . . . . . . . 484 Y N . 51315 1 106 . 1 . 1 32 32 ARG H H 1 8.261 . . . . . . . . 485 R HN . 51315 1 107 . 1 . 1 32 32 ARG CA C 13 56.075 . . . . . . . . 485 R CA . 51315 1 108 . 1 . 1 32 32 ARG CB C 13 30.497 . . . . . . . . 485 R CB . 51315 1 109 . 1 . 1 32 32 ARG N N 15 123.685 . . . . . . . . 485 R N . 51315 1 110 . 1 . 1 33 33 GLY H H 1 7.720 . . . . . . . . 486 G HN . 51315 1 111 . 1 . 1 33 33 GLY CA C 13 45.162 . . . . . . . . 486 G CA . 51315 1 112 . 1 . 1 33 33 GLY N N 15 108.853 . . . . . . . . 486 G N . 51315 1 113 . 1 . 1 34 34 ARG H H 1 8.193 . . . . . . . . 487 R HN . 51315 1 114 . 1 . 1 34 34 ARG CA C 13 56.394 . . . . . . . . 487 R CA . 51315 1 115 . 1 . 1 34 34 ARG CB C 13 30.693 . . . . . . . . 487 R CB . 51315 1 116 . 1 . 1 34 34 ARG N N 15 120.220 . . . . . . . . 487 R N . 51315 1 117 . 1 . 1 35 35 GLY H H 1 8.483 . . . . . . . . 488 G HN . 51315 1 118 . 1 . 1 35 35 GLY CA C 13 45.380 . . . . . . . . 488 G CA . 51315 1 119 . 1 . 1 35 35 GLY N N 15 109.994 . . . . . . . . 488 G N . 51315 1 120 . 1 . 1 36 36 GLY H H 1 8.209 . . . . . . . . 489 G HN . 51315 1 121 . 1 . 1 36 36 GLY CA C 13 45.381 . . . . . . . . 489 G CA . 51315 1 122 . 1 . 1 36 36 GLY N N 15 108.712 . . . . . . . . 489 G N . 51315 1 123 . 1 . 1 37 37 ASP H H 1 8.219 . . . . . . . . 490 D HN . 51315 1 124 . 1 . 1 37 37 ASP CA C 13 54.233 . . . . . . . . 490 D CA . 51315 1 125 . 1 . 1 37 37 ASP CB C 13 41.282 . . . . . . . . 490 D CB . 51315 1 126 . 1 . 1 37 37 ASP N N 15 120.291 . . . . . . . . 490 D N . 51315 1 127 . 1 . 1 38 38 ARG H H 1 8.358 . . . . . . . . 491 R HN . 51315 1 128 . 1 . 1 38 38 ARG CA C 13 56.381 . . . . . . . . 491 R CA . 51315 1 129 . 1 . 1 38 38 ARG CB C 13 30.276 . . . . . . . . 491 R CB . 51315 1 130 . 1 . 1 38 38 ARG N N 15 121.471 . . . . . . . . 491 R N . 51315 1 131 . 1 . 1 39 39 GLY H H 1 8.388 . . . . . . . . 492 G HN . 51315 1 132 . 1 . 1 39 39 GLY CA C 13 45.608 . . . . . . . . 492 G CA . 51315 1 133 . 1 . 1 39 39 GLY N N 15 109.300 . . . . . . . . 492 G N . 51315 1 134 . 1 . 1 40 40 GLY H H 1 8.137 . . . . . . . . 493 G HN . 51315 1 135 . 1 . 1 40 40 GLY CA C 13 45.177 . . . . . . . . 493 G CA . 51315 1 136 . 1 . 1 40 40 GLY N N 15 108.445 . . . . . . . . 493 G N . 51315 1 137 . 1 . 1 41 41 PHE H H 1 8.094 . . . . . . . . 494 F HN . 51315 1 138 . 1 . 1 41 41 PHE CA C 13 58.048 . . . . . . . . 494 F CA . 51315 1 139 . 1 . 1 41 41 PHE CB C 13 39.551 . . . . . . . . 494 F CB . 51315 1 140 . 1 . 1 41 41 PHE N N 15 120.308 . . . . . . . . 494 F N . 51315 1 141 . 1 . 1 42 42 ARG H H 1 8.331 . . . . . . . . 495 R HN . 51315 1 142 . 1 . 1 42 42 ARG CA C 13 56.165 . . . . . . . . 495 R CA . 51315 1 143 . 1 . 1 42 42 ARG CB C 13 30.495 . . . . . . . . 495 R CB . 51315 1 144 . 1 . 1 42 42 ARG N N 15 123.679 . . . . . . . . 495 R N . 51315 1 145 . 1 . 1 43 43 GLY H H 1 7.812 . . . . . . . . 496 G HN . 51315 1 146 . 1 . 1 43 43 GLY CA C 13 45.375 . . . . . . . . 496 G CA . 51315 1 147 . 1 . 1 43 43 GLY N N 15 109.138 . . . . . . . . 496 G N . 51315 1 148 . 1 . 1 44 44 GLY H H 1 8.177 . . . . . . . . 497 G HN . 51315 1 149 . 1 . 1 44 44 GLY CA C 13 45.163 . . . . . . . . 497 G CA . 51315 1 150 . 1 . 1 44 44 GLY N N 15 108.531 . . . . . . . . 497 G N . 51315 1 151 . 1 . 1 45 45 ARG H H 1 8.273 . . . . . . . . 498 R HN . 51315 1 152 . 1 . 1 45 45 ARG CA C 13 56.169 . . . . . . . . 498 R CA . 51315 1 153 . 1 . 1 45 45 ARG CB C 13 30.716 . . . . . . . . 498 R CB . 51315 1 154 . 1 . 1 45 45 ARG N N 15 120.470 . . . . . . . . 498 R N . 51315 1 155 . 1 . 1 46 46 GLY H H 1 8.467 . . . . . . . . 499 G HN . 51315 1 156 . 1 . 1 46 46 GLY CA C 13 45.373 . . . . . . . . 499 G CA . 51315 1 157 . 1 . 1 46 46 GLY N N 15 110.000 . . . . . . . . 499 G N . 51315 1 158 . 1 . 1 47 47 GLY H H 1 8.232 . . . . . . . . 500 G HN . 51315 1 159 . 1 . 1 47 47 GLY CA C 13 45.329 . . . . . . . . 500 G CA . 51315 1 160 . 1 . 1 47 47 GLY N N 15 108.697 . . . . . . . . 500 G N . 51315 1 161 . 1 . 1 48 48 GLY H H 1 8.271 . . . . . . . . 501 G HN . 51315 1 162 . 1 . 1 48 48 GLY CA C 13 45.197 . . . . . . . . 501 G CA . 51315 1 163 . 1 . 1 48 48 GLY N N 15 108.751 . . . . . . . . 501 G N . 51315 1 164 . 1 . 1 49 49 ASP H H 1 8.233 . . . . . . . . 502 D HN . 51315 1 165 . 1 . 1 49 49 ASP CA C 13 54.248 . . . . . . . . 502 D CA . 51315 1 166 . 1 . 1 49 49 ASP CB C 13 41.259 . . . . . . . . 502 D CB . 51315 1 167 . 1 . 1 49 49 ASP N N 15 120.309 . . . . . . . . 502 D N . 51315 1 168 . 1 . 1 50 50 ARG H H 1 8.336 . . . . . . . . 503 R HN . 51315 1 169 . 1 . 1 50 50 ARG CA C 13 56.304 . . . . . . . . 503 R CA . 51315 1 170 . 1 . 1 50 50 ARG CB C 13 30.279 . . . . . . . . 503 R CB . 51315 1 171 . 1 . 1 50 50 ARG N N 15 121.174 . . . . . . . . 503 R N . 51315 1 172 . 1 . 1 51 51 GLY H H 1 8.338 . . . . . . . . 504 G HN . 51315 1 173 . 1 . 1 51 51 GLY CA C 13 45.365 . . . . . . . . 504 G CA . 51315 1 174 . 1 . 1 51 51 GLY N N 15 109.243 . . . . . . . . 504 G N . 51315 1 175 . 1 . 1 52 52 GLY H H 1 8.080 . . . . . . . . 505 G HN . 51315 1 176 . 1 . 1 52 52 GLY CA C 13 45.137 . . . . . . . . 505 G CA . 51315 1 177 . 1 . 1 52 52 GLY N N 15 108.297 . . . . . . . . 505 G N . 51315 1 178 . 1 . 1 53 53 PHE H H 1 8.064 . . . . . . . . 506 F HN . 51315 1 179 . 1 . 1 53 53 PHE CA C 13 57.493 . . . . . . . . 506 F CA . 51315 1 180 . 1 . 1 53 53 PHE CB C 13 39.926 . . . . . . . . 506 F CB . 51315 1 181 . 1 . 1 53 53 PHE N N 15 119.382 . . . . . . . . 506 F N . 51315 1 182 . 1 . 1 54 54 GLY H H 1 8.199 . . . . . . . . 507 G HN . 51315 1 183 . 1 . 1 54 54 GLY CA C 13 44.522 . . . . . . . . 507 G CA . 51315 1 184 . 1 . 1 54 54 GLY N N 15 110.310 . . . . . . . . 507 G N . 51315 1 185 . 1 . 1 55 55 PRO CA C 13 63.492 . . . . . . . . 508 P CA . 51315 1 186 . 1 . 1 55 55 PRO CB C 13 31.992 . . . . . . . . 508 P CB . 51315 1 187 . 1 . 1 56 56 GLY H H 1 8.461 . . . . . . . . 509 G HN . 51315 1 188 . 1 . 1 56 56 GLY CA C 13 45.167 . . . . . . . . 509 G CA . 51315 1 189 . 1 . 1 56 56 GLY N N 15 109.416 . . . . . . . . 509 G N . 51315 1 190 . 1 . 1 57 57 LYS H H 1 8.072 . . . . . . . . 510 K HN . 51315 1 191 . 1 . 1 57 57 LYS CA C 13 56.156 . . . . . . . . 510 K CA . 51315 1 192 . 1 . 1 57 57 LYS CB C 13 33.082 . . . . . . . . 510 K CB . 51315 1 193 . 1 . 1 57 57 LYS N N 15 120.585 . . . . . . . . 510 K N . 51315 1 194 . 1 . 1 58 58 MET H H 1 8.357 . . . . . . . . 511 M HN . 51315 1 195 . 1 . 1 58 58 MET CA C 13 55.423 . . . . . . . . 511 M CA . 51315 1 196 . 1 . 1 58 58 MET CB C 13 30.449 . . . . . . . . 511 M CB . 51315 1 197 . 1 . 1 58 58 MET N N 15 121.156 . . . . . . . . 511 M N . 51315 1 198 . 1 . 1 59 59 ASP H H 1 8.274 . . . . . . . . 512 D HN . 51315 1 199 . 1 . 1 59 59 ASP CA C 13 54.008 . . . . . . . . 512 D CA . 51315 1 200 . 1 . 1 59 59 ASP CB C 13 41.284 . . . . . . . . 512 D CB . 51315 1 201 . 1 . 1 59 59 ASP N N 15 121.681 . . . . . . . . 512 D N . 51315 1 202 . 1 . 1 60 60 SER H H 1 8.288 . . . . . . . . 513 S HN . 51315 1 203 . 1 . 1 60 60 SER CA C 13 58.752 . . . . . . . . 513 S CA . 51315 1 204 . 1 . 1 60 60 SER CB C 13 63.491 . . . . . . . . 513 S CB . 51315 1 205 . 1 . 1 60 60 SER N N 15 116.914 . . . . . . . . 513 S N . 51315 1 206 . 1 . 1 61 61 ARG H H 1 8.325 . . . . . . . . 514 R HN . 51315 1 207 . 1 . 1 61 61 ARG CA C 13 56.594 . . . . . . . . 514 R CA . 51315 1 208 . 1 . 1 61 61 ARG CB C 13 30.501 . . . . . . . . 514 R CB . 51315 1 209 . 1 . 1 61 61 ARG N N 15 122.199 . . . . . . . . 514 R N . 51315 1 210 . 1 . 1 62 62 GLY H H 1 8.241 . . . . . . . . 515 G HN . 51315 1 211 . 1 . 1 62 62 GLY CA C 13 45.360 . . . . . . . . 515 G CA . 51315 1 212 . 1 . 1 62 62 GLY N N 15 108.885 . . . . . . . . 515 G N . 51315 1 213 . 1 . 1 63 63 GLU H H 1 8.209 . . . . . . . . 516 E HN . 51315 1 214 . 1 . 1 63 63 GLU CA C 13 56.505 . . . . . . . . 516 E CA . 51315 1 215 . 1 . 1 63 63 GLU CB C 13 30.289 . . . . . . . . 516 E CB . 51315 1 216 . 1 . 1 63 63 GLU N N 15 120.392 . . . . . . . . 516 E N . 51315 1 217 . 1 . 1 64 64 HIS H H 1 8.478 . . . . . . . . 517 H HN . 51315 1 218 . 1 . 1 64 64 HIS CA C 13 55.280 . . . . . . . . 517 H CA . 51315 1 219 . 1 . 1 64 64 HIS CB C 13 29.156 . . . . . . . . 517 H CB . 51315 1 220 . 1 . 1 64 64 HIS N N 15 119.749 . . . . . . . . 517 H N . 51315 1 221 . 1 . 1 65 65 ARG H H 1 8.277 . . . . . . . . 518 R HN . 51315 1 222 . 1 . 1 65 65 ARG CA C 13 56.377 . . . . . . . . 518 R CA . 51315 1 223 . 1 . 1 65 65 ARG CB C 13 30.835 . . . . . . . . 518 R CB . 51315 1 224 . 1 . 1 65 65 ARG N N 15 122.497 . . . . . . . . 518 R N . 51315 1 225 . 1 . 1 66 66 GLN H H 1 8.516 . . . . . . . . 519 Q HN . 51315 1 226 . 1 . 1 66 66 GLN CA C 13 55.945 . . . . . . . . 519 Q CA . 51315 1 227 . 1 . 1 66 66 GLN CB C 13 29.441 . . . . . . . . 519 Q CB . 51315 1 228 . 1 . 1 66 66 GLN N N 15 121.432 . . . . . . . . 519 Q N . 51315 1 229 . 1 . 1 67 67 ASP H H 1 8.326 . . . . . . . . 520 D HN . 51315 1 230 . 1 . 1 67 67 ASP CA C 13 54.288 . . . . . . . . 520 D CA . 51315 1 231 . 1 . 1 67 67 ASP CB C 13 41.041 . . . . . . . . 520 D CB . 51315 1 232 . 1 . 1 67 67 ASP N N 15 121.509 . . . . . . . . 520 D N . 51315 1 233 . 1 . 1 68 68 ARG H H 1 8.201 . . . . . . . . 521 R HN . 51315 1 234 . 1 . 1 68 68 ARG CA C 13 56.036 . . . . . . . . 521 R CA . 51315 1 235 . 1 . 1 68 68 ARG CB C 13 30.597 . . . . . . . . 521 R CB . 51315 1 236 . 1 . 1 68 68 ARG N N 15 121.501 . . . . . . . . 521 R N . 51315 1 237 . 1 . 1 69 69 ARG H H 1 8.285 . . . . . . . . 522 R HN . 51315 1 238 . 1 . 1 69 69 ARG CA C 13 56.167 . . . . . . . . 522 R CA . 51315 1 239 . 1 . 1 69 69 ARG CB C 13 30.671 . . . . . . . . 522 R CB . 51315 1 240 . 1 . 1 69 69 ARG N N 15 121.820 . . . . . . . . 522 R N . 51315 1 241 . 1 . 1 70 70 GLU H H 1 8.375 . . . . . . . . 523 E HN . 51315 1 242 . 1 . 1 70 70 GLU CA C 13 56.467 . . . . . . . . 523 E CA . 51315 1 243 . 1 . 1 70 70 GLU CB C 13 30.278 . . . . . . . . 523 E CB . 51315 1 244 . 1 . 1 70 70 GLU N N 15 121.564 . . . . . . . . 523 E N . 51315 1 245 . 1 . 1 71 71 ARG H H 1 8.162 . . . . . . . . 524 R HN . 51315 1 246 . 1 . 1 71 71 ARG CA C 13 53.791 . . . . . . . . 524 R CA . 51315 1 247 . 1 . 1 71 71 ARG CB C 13 30.501 . . . . . . . . 524 R CB . 51315 1 248 . 1 . 1 71 71 ARG N N 15 122.258 . . . . . . . . 524 R N . 51315 1 249 . 1 . 1 72 72 PRO CA C 13 63.423 . . . . . . . . 525 P CA . 51315 1 250 . 1 . 1 72 72 PRO CB C 13 31.596 . . . . . . . . 525 P CB . 51315 1 251 . 1 . 1 73 73 TYR H H 1 7.396 . . . . . . . . 526 Y HN . 51315 1 252 . 1 . 1 73 73 TYR CA C 13 58.868 . . . . . . . . 526 Y CA . 51315 1 253 . 1 . 1 73 73 TYR CB C 13 39.140 . . . . . . . . 526 Y CB . 51315 1 254 . 1 . 1 73 73 TYR N N 15 123.772 . . . . . . . . 526 Y N . 51315 1 stop_ save_