################################### # 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 27119 _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 2 '3D HNCA' . . . 27119 1 3 '3D HN(CO)CA' . . . 27119 1 4 '3D HNCACB' . . . 27119 1 5 '3D CBCA(CO)NH' . . . 27119 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 5 5 ASP H H 1 8.283 . . 1 . . . . . 519 D HN . 27119 1 2 . 1 1 5 5 ASP CA C 13 54.869 . . 1 . . . . . 519 D CA . 27119 1 3 . 1 1 5 5 ASP N N 15 121.218 . . 1 . . . . . 519 D N . 27119 1 4 . 1 1 6 6 GLN H H 1 8.155 . . 1 . . . . . 520 Q HN . 27119 1 5 . 1 1 6 6 GLN CA C 13 53.316 . . 1 . . . . . 520 Q CA . 27119 1 6 . 1 1 6 6 GLN N N 15 119.728 . . 1 . . . . . 520 Q N . 27119 1 7 . 1 1 8 8 LEU H H 1 8.116 . . 1 . . . . . 522 L HN . 27119 1 8 . 1 1 8 8 LEU CA C 13 54.815 . . 1 . . . . . 522 L CA . 27119 1 9 . 1 1 8 8 LEU N N 15 118.126 . . 1 . . . . . 522 L N . 27119 1 10 . 1 1 9 9 SER H H 1 7.373 . . 1 . . . . . 523 S HN . 27119 1 11 . 1 1 9 9 SER CA C 13 60.425 . . 1 . . . . . 523 S CA . 27119 1 12 . 1 1 9 9 SER N N 15 111.352 . . 1 . . . . . 523 S N . 27119 1 13 . 1 1 10 10 GLY H H 1 8.467 . . 1 . . . . . 524 G HN . 27119 1 14 . 1 1 10 10 GLY CA C 13 44.868 . . 1 . . . . . 524 G CA . 27119 1 15 . 1 1 10 10 GLY N N 15 111.088 . . 1 . . . . . 524 G N . 27119 1 16 . 1 1 11 11 TYR H H 1 7.388 . . 1 . . . . . 525 Y HN . 27119 1 17 . 1 1 11 11 TYR CA C 13 56.456 . . 1 . . . . . 525 Y CA . 27119 1 18 . 1 1 11 11 TYR N N 15 120.143 . . 1 . . . . . 525 Y N . 27119 1 19 . 1 1 13 13 TRP H H 1 5.518 . . 1 . . . . . 527 W HN . 27119 1 20 . 1 1 13 13 TRP CA C 13 52.924 . . 1 . . . . . 527 W CA . 27119 1 21 . 1 1 13 13 TRP N N 15 109.746 . . 1 . . . . . 527 W N . 27119 1 22 . 1 1 14 14 PHE H H 1 7.605 . . 1 . . . . . 528 F HN . 27119 1 23 . 1 1 14 14 PHE CA C 13 57.193 . . 1 . . . . . 528 F CA . 27119 1 24 . 1 1 14 14 PHE N N 15 122.722 . . 1 . . . . . 528 F N . 27119 1 25 . 1 1 15 15 HIS H H 1 8.753 . . 1 . . . . . 529 H HN . 27119 1 26 . 1 1 15 15 HIS CA C 13 56.216 . . 1 . . . . . 529 H CA . 27119 1 27 . 1 1 15 15 HIS N N 15 125.736 . . 1 . . . . . 529 H N . 27119 1 28 . 1 1 18 18 LEU H H 1 7.383 . . 1 . . . . . 532 L HN . 27119 1 29 . 1 1 18 18 LEU CA C 13 54.339 . . 1 . . . . . 532 L CA . 27119 1 30 . 1 1 18 18 LEU N N 15 125.929 . . 1 . . . . . 532 L N . 27119 1 31 . 1 1 19 19 SER H H 1 8.385 . . 1 . . . . . 533 S HN . 27119 1 32 . 1 1 19 19 SER CA C 13 57.794 . . 1 . . . . . 533 S CA . 27119 1 33 . 1 1 19 19 SER N N 15 121.511 . . 1 . . . . . 533 S N . 27119 1 34 . 1 1 20 20 ARG H H 1 8.670 . . 1 . . . . . 534 R HN . 27119 1 35 . 1 1 20 20 ARG CA C 13 60.023 . . 1 . . . . . 534 R CA . 27119 1 36 . 1 1 20 20 ARG N N 15 123.016 . . 1 . . . . . 534 R N . 27119 1 37 . 1 1 21 21 LEU H H 1 8.049 . . 1 . . . . . 535 L HN . 27119 1 38 . 1 1 21 21 LEU CA C 13 57.822 . . 1 . . . . . 535 L CA . 27119 1 39 . 1 1 21 21 LEU N N 15 116.654 . . 1 . . . . . 535 L N . 27119 1 40 . 1 1 22 22 LYS H H 1 7.642 . . 1 . . . . . 536 K HN . 27119 1 41 . 1 1 22 22 LYS CA C 13 58.482 . . 1 . . . . . 536 K CA . 27119 1 42 . 1 1 22 22 LYS N N 15 120.100 . . 1 . . . . . 536 K N . 27119 1 43 . 1 1 23 23 ALA H H 1 8.465 . . 1 . . . . . 537 A HN . 27119 1 44 . 1 1 23 23 ALA CA C 13 55.026 . . 1 . . . . . 537 A CA . 27119 1 45 . 1 1 23 23 ALA N N 15 120.384 . . 1 . . . . . 537 A N . 27119 1 46 . 1 1 24 24 ALA H H 1 8.138 . . 1 . . . . . 538 A HN . 27119 1 47 . 1 1 24 24 ALA CA C 13 54.691 . . 1 . . . . . 538 A CA . 27119 1 48 . 1 1 24 24 ALA N N 15 117.839 . . 1 . . . . . 538 A N . 27119 1 49 . 1 1 25 25 GLN H H 1 7.738 . . 1 . . . . . 539 Q HN . 27119 1 50 . 1 1 25 25 GLN CA C 13 59.040 . . 1 . . . . . 539 Q CA . 27119 1 51 . 1 1 25 25 GLN N N 15 114.777 . . 1 . . . . . 539 Q N . 27119 1 52 . 1 1 26 26 LEU H H 1 7.925 . . 1 . . . . . 540 L HN . 27119 1 53 . 1 1 26 26 LEU CA C 13 58.152 . . 1 . . . . . 540 L CA . 27119 1 54 . 1 1 26 26 LEU N N 15 116.692 . . 1 . . . . . 540 L N . 27119 1 55 . 1 1 27 27 VAL H H 1 7.508 . . 1 . . . . . 541 V HN . 27119 1 56 . 1 1 27 27 VAL CA C 13 63.458 . . 1 . . . . . 541 V CA . 27119 1 57 . 1 1 27 27 VAL N N 15 109.360 . . 1 . . . . . 541 V N . 27119 1 58 . 1 1 28 28 LEU H H 1 7.649 . . 1 . . . . . 542 L HN . 27119 1 59 . 1 1 28 28 LEU CA C 13 55.082 . . 1 . . . . . 542 L CA . 27119 1 60 . 1 1 28 28 LEU N N 15 118.285 . . 1 . . . . . 542 L N . 27119 1 61 . 1 1 29 29 THR H H 1 7.275 . . 1 . . . . . 543 T HN . 27119 1 62 . 1 1 29 29 THR CA C 13 65.571 . . 1 . . . . . 543 T CA . 27119 1 63 . 1 1 29 29 THR N N 15 118.712 . . 1 . . . . . 543 T N . 27119 1 64 . 1 1 31 31 GLY H H 1 8.401 . . 1 . . . . . 545 G HN . 27119 1 65 . 1 1 31 31 GLY CA C 13 46.569 . . 1 . . . . . 545 G CA . 27119 1 66 . 1 1 31 31 GLY N N 15 109.591 . . 1 . . . . . 545 G N . 27119 1 67 . 1 1 33 33 GLY H H 1 8.332 . . 1 . . . . . 547 G HN . 27119 1 68 . 1 1 33 33 GLY CA C 13 46.052 . . 1 . . . . . 547 G CA . 27119 1 69 . 1 1 33 33 GLY N N 15 109.690 . . 1 . . . . . 547 G N . 27119 1 70 . 1 1 34 34 SER H H 1 7.213 . . 1 . . . . . 548 S HN . 27119 1 71 . 1 1 34 34 SER CA C 13 57.230 . . 1 . . . . . 548 S CA . 27119 1 72 . 1 1 34 34 SER N N 15 115.833 . . 1 . . . . . 548 S N . 27119 1 73 . 1 1 35 35 HIS H H 1 7.031 . . 1 . . . . . 549 H HN . 27119 1 74 . 1 1 35 35 HIS CA C 13 58.245 . . 1 . . . . . 549 H CA . 27119 1 75 . 1 1 35 35 HIS N N 15 121.565 . . 1 . . . . . 549 H N . 27119 1 76 . 1 1 36 36 GLY H H 1 9.502 . . 1 . . . . . 550 G HN . 27119 1 77 . 1 1 36 36 GLY CA C 13 45.704 . . 1 . . . . . 550 G CA . 27119 1 78 . 1 1 36 36 GLY N N 15 116.491 . . 1 . . . . . 550 G N . 27119 1 79 . 1 1 37 37 VAL H H 1 8.408 . . 1 . . . . . 551 V HN . 27119 1 80 . 1 1 37 37 VAL CA C 13 62.669 . . 1 . . . . . 551 V CA . 27119 1 81 . 1 1 37 37 VAL N N 15 123.160 . . 1 . . . . . 551 V N . 27119 1 82 . 1 1 38 38 PHE H H 1 8.411 . . 1 . . . . . 552 F HN . 27119 1 83 . 1 1 38 38 PHE CA C 13 55.634 . . 1 . . . . . 552 F CA . 27119 1 84 . 1 1 38 38 PHE N N 15 121.183 . . 1 . . . . . 552 F N . 27119 1 85 . 1 1 39 39 LEU H H 1 9.322 . . 1 . . . . . 553 L HN . 27119 1 86 . 1 1 39 39 LEU CA C 13 55.339 . . 1 . . . . . 553 L CA . 27119 1 87 . 1 1 39 39 LEU N N 15 113.413 . . 1 . . . . . 553 L N . 27119 1 88 . 1 1 40 40 VAL H H 1 9.130 . . 1 . . . . . 554 V HN . 27119 1 89 . 1 1 40 40 VAL CA C 13 61.249 . . 1 . . . . . 554 V CA . 27119 1 90 . 1 1 40 40 VAL N N 15 119.752 . . 1 . . . . . 554 V N . 27119 1 91 . 1 1 41 41 ARG H H 1 9.487 . . 1 . . . . . 555 R HN . 27119 1 92 . 1 1 41 41 ARG CA C 13 53.269 . . 1 . . . . . 555 R CA . 27119 1 93 . 1 1 41 41 ARG N N 15 123.988 . . 1 . . . . . 555 R N . 27119 1 94 . 1 1 42 42 GLN H H 1 8.806 . . 1 . . . . . 556 Q HN . 27119 1 95 . 1 1 42 42 GLN CA C 13 55.804 . . 1 . . . . . 556 Q CA . 27119 1 96 . 1 1 42 42 GLN N N 15 122.011 . . 1 . . . . . 556 Q N . 27119 1 97 . 1 1 43 43 SER H H 1 7.985 . . 1 . . . . . 557 S HN . 27119 1 98 . 1 1 43 43 SER CA C 13 58.193 . . 1 . . . . . 557 S CA . 27119 1 99 . 1 1 43 43 SER N N 15 117.362 . . 1 . . . . . 557 S N . 27119 1 100 . 1 1 44 44 GLU H H 1 9.235 . . 1 . . . . . 558 E HN . 27119 1 101 . 1 1 44 44 GLU CA C 13 57.795 . . 1 . . . . . 558 E CA . 27119 1 102 . 1 1 44 44 GLU N N 15 125.927 . . 1 . . . . . 558 E N . 27119 1 103 . 1 1 45 45 THR H H 1 7.907 . . 1 . . . . . 559 T HN . 27119 1 104 . 1 1 45 45 THR CA C 13 62.416 . . 1 . . . . . 559 T CA . 27119 1 105 . 1 1 45 45 THR N N 15 108.531 . . 1 . . . . . 559 T N . 27119 1 106 . 1 1 46 46 ARG H H 1 7.631 . . 1 . . . . . 560 R HN . 27119 1 107 . 1 1 46 46 ARG CA C 13 55.207 . . 1 . . . . . 560 R CA . 27119 1 108 . 1 1 46 46 ARG N N 15 122.233 . . 1 . . . . . 560 R N . 27119 1 109 . 1 1 47 47 ARG H H 1 8.464 . . 1 . . . . . 561 R HN . 27119 1 110 . 1 1 47 47 ARG CA C 13 57.675 . . 1 . . . . . 561 R CA . 27119 1 111 . 1 1 47 47 ARG N N 15 124.988 . . 1 . . . . . 561 R N . 27119 1 112 . 1 1 48 48 GLY H H 1 8.760 . . 1 . . . . . 562 G HN . 27119 1 113 . 1 1 48 48 GLY CA C 13 45.751 . . 1 . . . . . 562 G CA . 27119 1 114 . 1 1 48 48 GLY N N 15 112.648 . . 1 . . . . . 562 G N . 27119 1 115 . 1 1 49 49 GLU H H 1 7.454 . . 1 . . . . . 563 E HN . 27119 1 116 . 1 1 49 49 GLU CA C 13 55.579 . . 1 . . . . . 563 E CA . 27119 1 117 . 1 1 49 49 GLU N N 15 118.320 . . 1 . . . . . 563 E N . 27119 1 118 . 1 1 50 50 TYR H H 1 8.891 . . 1 . . . . . 564 Y HN . 27119 1 119 . 1 1 50 50 TYR CA C 13 56.779 . . 1 . . . . . 564 Y CA . 27119 1 120 . 1 1 50 50 TYR N N 15 122.456 . . 1 . . . . . 564 Y N . 27119 1 121 . 1 1 51 51 VAL H H 1 9.525 . . 1 . . . . . 565 V HN . 27119 1 122 . 1 1 51 51 VAL CA C 13 61.355 . . 1 . . . . . 565 V CA . 27119 1 123 . 1 1 51 51 VAL N N 15 120.387 . . 1 . . . . . 565 V N . 27119 1 124 . 1 1 52 52 LEU H H 1 9.366 . . 1 . . . . . 566 L HN . 27119 1 125 . 1 1 52 52 LEU CA C 13 53.735 . . 1 . . . . . 566 L CA . 27119 1 126 . 1 1 52 52 LEU N N 15 129.705 . . 1 . . . . . 566 L N . 27119 1 127 . 1 1 53 53 THR H H 1 9.061 . . 1 . . . . . 567 T HN . 27119 1 128 . 1 1 53 53 THR CA C 13 62.539 . . 1 . . . . . 567 T CA . 27119 1 129 . 1 1 53 53 THR N N 15 128.074 . . 1 . . . . . 567 T N . 27119 1 130 . 1 1 54 54 PHE H H 1 8.820 . . 1 . . . . . 568 F HN . 27119 1 131 . 1 1 54 54 PHE CA C 13 55.222 . . 1 . . . . . 568 F CA . 27119 1 132 . 1 1 54 54 PHE N N 15 121.023 . . 1 . . . . . 568 F N . 27119 1 133 . 1 1 55 55 ASN H H 1 8.374 . . 1 . . . . . 569 N HN . 27119 1 134 . 1 1 55 55 ASN CA C 13 51.940 . . 1 . . . . . 569 N CA . 27119 1 135 . 1 1 55 55 ASN N N 15 119.400 . . 1 . . . . . 569 N N . 27119 1 136 . 1 1 56 56 PHE H H 1 9.265 . . 1 . . . . . 570 F HN . 27119 1 137 . 1 1 56 56 PHE CA C 13 55.448 . . 1 . . . . . 570 F CA . 27119 1 138 . 1 1 56 56 PHE N N 15 128.513 . . 1 . . . . . 570 F N . 27119 1 139 . 1 1 58 58 GLY H H 1 9.066 . . 1 . . . . . 572 G HN . 27119 1 140 . 1 1 58 58 GLY CA C 13 45.399 . . 1 . . . . . 572 G CA . 27119 1 141 . 1 1 58 58 GLY N N 15 103.680 . . 1 . . . . . 572 G N . 27119 1 142 . 1 1 59 59 LYS H H 1 7.896 . . 1 . . . . . 573 K HN . 27119 1 143 . 1 1 59 59 LYS CA C 13 54.599 . . 1 . . . . . 573 K CA . 27119 1 144 . 1 1 59 59 LYS N N 15 120.450 . . 1 . . . . . 573 K N . 27119 1 145 . 1 1 60 60 ALA H H 1 8.699 . . 1 . . . . . 574 A HN . 27119 1 146 . 1 1 60 60 ALA CA C 13 51.614 . . 1 . . . . . 574 A CA . 27119 1 147 . 1 1 60 60 ALA N N 15 124.176 . . 1 . . . . . 574 A N . 27119 1 148 . 1 1 61 61 LYS H H 1 8.466 . . 1 . . . . . 575 K HN . 27119 1 149 . 1 1 61 61 LYS CA C 13 52.835 . . 1 . . . . . 575 K CA . 27119 1 150 . 1 1 61 61 LYS N N 15 122.746 . . 1 . . . . . 575 K N . 27119 1 151 . 1 1 62 62 HIS H H 1 8.174 . . 1 . . . . . 576 H HN . 27119 1 152 . 1 1 62 62 HIS CA C 13 54.667 . . 1 . . . . . 576 H CA . 27119 1 153 . 1 1 62 62 HIS N N 15 117.457 . . 1 . . . . . 576 H N . 27119 1 154 . 1 1 63 63 LEU H H 1 9.427 . . 1 . . . . . 577 L HN . 27119 1 155 . 1 1 63 63 LEU CA C 13 53.810 . . 1 . . . . . 577 L CA . 27119 1 156 . 1 1 63 63 LEU N N 15 127.207 . . 1 . . . . . 577 L N . 27119 1 157 . 1 1 64 64 ARG H H 1 8.777 . . 1 . . . . . 578 R HN . 27119 1 158 . 1 1 64 64 ARG CA C 13 57.664 . . 1 . . . . . 578 R CA . 27119 1 159 . 1 1 64 64 ARG N N 15 126.440 . . 1 . . . . . 578 R N . 27119 1 160 . 1 1 65 65 LEU H H 1 8.749 . . 1 . . . . . 579 L HN . 27119 1 161 . 1 1 65 65 LEU CA C 13 53.603 . . 1 . . . . . 579 L CA . 27119 1 162 . 1 1 65 65 LEU N N 15 122.306 . . 1 . . . . . 579 L N . 27119 1 163 . 1 1 66 66 SER H H 1 8.421 . . 1 . . . . . 580 S HN . 27119 1 164 . 1 1 66 66 SER CA C 13 56.936 . . 1 . . . . . 580 S CA . 27119 1 165 . 1 1 66 66 SER N N 15 116.152 . . 1 . . . . . 580 S N . 27119 1 166 . 1 1 67 67 LEU H H 1 9.005 . . 1 . . . . . 581 L HN . 27119 1 167 . 1 1 67 67 LEU CA C 13 53.414 . . 1 . . . . . 581 L CA . 27119 1 168 . 1 1 67 67 LEU N N 15 126.250 . . 1 . . . . . 581 L N . 27119 1 169 . 1 1 68 68 ASN H H 1 8.146 . . 1 . . . . . 582 N HN . 27119 1 170 . 1 1 68 68 ASN CA C 13 50.518 . . 1 . . . . . 582 N CA . 27119 1 171 . 1 1 68 68 ASN N N 15 120.835 . . 1 . . . . . 582 N N . 27119 1 172 . 1 1 69 69 GLU H H 1 9.076 . . 1 . . . . . 583 E HN . 27119 1 173 . 1 1 69 69 GLU CA C 13 59.829 . . 1 . . . . . 583 E CA . 27119 1 174 . 1 1 69 69 GLU N N 15 119.095 . . 1 . . . . . 583 E N . 27119 1 175 . 1 1 70 70 GLU H H 1 7.578 . . 1 . . . . . 584 E HN . 27119 1 176 . 1 1 70 70 GLU CA C 13 56.466 . . 1 . . . . . 584 E CA . 27119 1 177 . 1 1 70 70 GLU N N 15 116.497 . . 1 . . . . . 584 E N . 27119 1 178 . 1 1 71 71 GLY H H 1 8.186 . . 1 . . . . . 585 G HN . 27119 1 179 . 1 1 71 71 GLY CA C 13 45.487 . . 1 . . . . . 585 G CA . 27119 1 180 . 1 1 71 71 GLY N N 15 108.585 . . 1 . . . . . 585 G N . 27119 1 181 . 1 1 72 72 GLN H H 1 7.869 . . 1 . . . . . 586 Q HN . 27119 1 182 . 1 1 72 72 GLN CA C 13 56.456 . . 1 . . . . . 586 Q CA . 27119 1 183 . 1 1 72 72 GLN N N 15 118.707 . . 1 . . . . . 586 Q N . 27119 1 184 . 1 1 73 73 CYS H H 1 8.289 . . 1 . . . . . 587 C HN . 27119 1 185 . 1 1 73 73 CYS CA C 13 56.458 . . 1 . . . . . 587 C CA . 27119 1 186 . 1 1 73 73 CYS N N 15 120.297 . . 1 . . . . . 587 C N . 27119 1 187 . 1 1 74 74 ARG H H 1 8.932 . . 1 . . . . . 588 R HN . 27119 1 188 . 1 1 74 74 ARG CA C 13 54.289 . . 1 . . . . . 588 R CA . 27119 1 189 . 1 1 74 74 ARG N N 15 129.430 . . 1 . . . . . 588 R N . 27119 1 190 . 1 1 75 75 VAL H H 1 8.350 . . 1 . . . . . 589 V HN . 27119 1 191 . 1 1 75 75 VAL CA C 13 60.305 . . 1 . . . . . 589 V CA . 27119 1 192 . 1 1 75 75 VAL N N 15 124.256 . . 1 . . . . . 589 V N . 27119 1 193 . 1 1 76 76 GLN H H 1 9.459 . . 1 . . . . . 590 Q HN . 27119 1 194 . 1 1 76 76 GLN CA C 13 57.905 . . 1 . . . . . 590 Q CA . 27119 1 195 . 1 1 76 76 GLN N N 15 124.580 . . 1 . . . . . 590 Q N . 27119 1 196 . 1 1 77 77 HIS H H 1 8.512 . . 1 . . . . . 591 H HN . 27119 1 197 . 1 1 77 77 HIS CA C 13 56.746 . . 1 . . . . . 591 H CA . 27119 1 198 . 1 1 77 77 HIS N N 15 119.476 . . 1 . . . . . 591 H N . 27119 1 199 . 1 1 78 78 LEU H H 1 8.308 . . 1 . . . . . 592 L HN . 27119 1 200 . 1 1 78 78 LEU CA C 13 54.342 . . 1 . . . . . 592 L CA . 27119 1 201 . 1 1 78 78 LEU N N 15 123.928 . . 1 . . . . . 592 L N . 27119 1 202 . 1 1 79 79 TRP H H 1 7.760 . . 1 . . . . . 593 W HN . 27119 1 203 . 1 1 79 79 TRP CA C 13 56.366 . . 1 . . . . . 593 W CA . 27119 1 204 . 1 1 79 79 TRP N N 15 120.507 . . 1 . . . . . 593 W N . 27119 1 205 . 1 1 80 80 PHE H H 1 8.851 . . 1 . . . . . 594 F HN . 27119 1 206 . 1 1 80 80 PHE CA C 13 56.090 . . 1 . . . . . 594 F CA . 27119 1 207 . 1 1 80 80 PHE N N 15 119.957 . . 1 . . . . . 594 F N . 27119 1 208 . 1 1 81 81 GLN H H 1 9.481 . . 1 . . . . . 595 Q HN . 27119 1 209 . 1 1 81 81 GLN CA C 13 58.022 . . 1 . . . . . 595 Q CA . 27119 1 210 . 1 1 81 81 GLN N N 15 120.864 . . 1 . . . . . 595 Q N . 27119 1 211 . 1 1 82 82 SER H H 1 7.289 . . 1 . . . . . 596 S HN . 27119 1 212 . 1 1 82 82 SER CA C 13 56.445 . . 1 . . . . . 596 S CA . 27119 1 213 . 1 1 82 82 SER N N 15 105.462 . . 1 . . . . . 596 S N . 27119 1 214 . 1 1 83 83 ILE H H 1 9.559 . . 1 . . . . . 597 I HN . 27119 1 215 . 1 1 83 83 ILE CA C 13 63.684 . . 1 . . . . . 597 I CA . 27119 1 216 . 1 1 83 83 ILE N N 15 121.822 . . 1 . . . . . 597 I N . 27119 1 217 . 1 1 84 84 PHE H H 1 6.630 . . 1 . . . . . 598 F HN . 27119 1 218 . 1 1 84 84 PHE CA C 13 59.810 . . 1 . . . . . 598 F CA . 27119 1 219 . 1 1 84 84 PHE N N 15 121.305 . . 1 . . . . . 598 F N . 27119 1 220 . 1 1 85 85 ASP H H 1 7.696 . . 1 . . . . . 599 D HN . 27119 1 221 . 1 1 85 85 ASP CA C 13 57.010 . . 1 . . . . . 599 D CA . 27119 1 222 . 1 1 85 85 ASP N N 15 119.017 . . 1 . . . . . 599 D N . 27119 1 223 . 1 1 86 86 MET H H 1 6.856 . . 1 . . . . . 600 M HN . 27119 1 224 . 1 1 86 86 MET CA C 13 58.474 . . 1 . . . . . 600 M CA . 27119 1 225 . 1 1 86 86 MET N N 15 121.580 . . 1 . . . . . 600 M N . 27119 1 226 . 1 1 87 87 LEU H H 1 7.466 . . 1 . . . . . 601 L HN . 27119 1 227 . 1 1 87 87 LEU CA C 13 57.838 . . 1 . . . . . 601 L CA . 27119 1 228 . 1 1 87 87 LEU N N 15 117.816 . . 1 . . . . . 601 L N . 27119 1 229 . 1 1 88 88 GLU H H 1 7.323 . . 1 . . . . . 602 E HN . 27119 1 230 . 1 1 88 88 GLU CA C 13 58.574 . . 1 . . . . . 602 E CA . 27119 1 231 . 1 1 88 88 GLU N N 15 115.743 . . 1 . . . . . 602 E N . 27119 1 232 . 1 1 89 89 HIS H H 1 7.825 . . 1 . . . . . 603 H HN . 27119 1 233 . 1 1 89 89 HIS CA C 13 60.967 . . 1 . . . . . 603 H CA . 27119 1 234 . 1 1 89 89 HIS N N 15 121.277 . . 1 . . . . . 603 H N . 27119 1 235 . 1 1 90 90 PHE H H 1 7.601 . . 1 . . . . . 604 F HN . 27119 1 236 . 1 1 90 90 PHE CA C 13 57.029 . . 1 . . . . . 604 F CA . 27119 1 237 . 1 1 90 90 PHE N N 15 115.079 . . 1 . . . . . 604 F N . 27119 1 238 . 1 1 91 91 ARG H H 1 7.198 . . 1 . . . . . 605 R HN . 27119 1 239 . 1 1 91 91 ARG CA C 13 58.025 . . 1 . . . . . 605 R CA . 27119 1 240 . 1 1 91 91 ARG N N 15 116.754 . . 1 . . . . . 605 R N . 27119 1 241 . 1 1 92 92 VAL H H 1 7.071 . . 1 . . . . . 606 V HN . 27119 1 242 . 1 1 92 92 VAL CA C 13 62.417 . . 1 . . . . . 606 V CA . 27119 1 243 . 1 1 92 92 VAL N N 15 113.776 . . 1 . . . . . 606 V N . 27119 1 244 . 1 1 93 93 HIS H H 1 8.289 . . 1 . . . . . 607 H HN . 27119 1 245 . 1 1 93 93 HIS CA C 13 53.093 . . 1 . . . . . 607 H CA . 27119 1 246 . 1 1 93 93 HIS N N 15 122.774 . . 1 . . . . . 607 H N . 27119 1 247 . 1 1 95 95 ILE H H 1 7.964 . . 1 . . . . . 609 I HN . 27119 1 248 . 1 1 95 95 ILE CA C 13 59.158 . . 1 . . . . . 609 I CA . 27119 1 249 . 1 1 95 95 ILE N N 15 122.651 . . 1 . . . . . 609 I N . 27119 1 250 . 1 1 97 97 LEU H H 1 8.061 . . 1 . . . . . 611 L HN . 27119 1 251 . 1 1 97 97 LEU CA C 13 54.153 . . 1 . . . . . 611 L CA . 27119 1 252 . 1 1 97 97 LEU N N 15 121.883 . . 1 . . . . . 611 L N . 27119 1 253 . 1 1 100 100 GLY H H 1 8.164 . . 1 . . . . . 614 G HN . 27119 1 254 . 1 1 100 100 GLY CA C 13 45.321 . . 1 . . . . . 614 G CA . 27119 1 255 . 1 1 100 100 GLY N N 15 110.799 . . 1 . . . . . 614 G N . 27119 1 256 . 1 1 101 101 GLY H H 1 8.172 . . 1 . . . . . 615 G HN . 27119 1 257 . 1 1 101 101 GLY CA C 13 45.121 . . 1 . . . . . 615 G CA . 27119 1 258 . 1 1 101 101 GLY N N 15 108.968 . . 1 . . . . . 615 G N . 27119 1 259 . 1 1 103 103 SER H H 1 8.182 . . 1 . . . . . 617 S HN . 27119 1 260 . 1 1 103 103 SER CA C 13 58.507 . . 1 . . . . . 617 S CA . 27119 1 261 . 1 1 103 103 SER N N 15 118.099 . . 1 . . . . . 617 S N . 27119 1 262 . 1 1 104 104 ASP H H 1 8.303 . . 1 . . . . . 618 D HN . 27119 1 263 . 1 1 104 104 ASP CA C 13 54.192 . . 1 . . . . . 618 D CA . 27119 1 264 . 1 1 104 104 ASP N N 15 119.686 . . 1 . . . . . 618 D N . 27119 1 265 . 1 1 105 105 VAL H H 1 8.304 . . 1 . . . . . 619 V HN . 27119 1 266 . 1 1 105 105 VAL CA C 13 61.586 . . 1 . . . . . 619 V CA . 27119 1 267 . 1 1 105 105 VAL N N 15 121.151 . . 1 . . . . . 619 V N . 27119 1 268 . 1 1 106 106 VAL H H 1 7.263 . . 1 . . . . . 620 V HN . 27119 1 269 . 1 1 106 106 VAL CA C 13 58.788 . . 1 . . . . . 620 V CA . 27119 1 270 . 1 1 106 106 VAL N N 15 119.053 . . 1 . . . . . 620 V N . 27119 1 271 . 1 1 107 107 LEU H H 1 8.215 . . 1 . . . . . 621 L HN . 27119 1 272 . 1 1 107 107 LEU CA C 13 53.954 . . 1 . . . . . 621 L CA . 27119 1 273 . 1 1 107 107 LEU N N 15 118.794 . . 1 . . . . . 621 L N . 27119 1 274 . 1 1 108 108 VAL H H 1 8.919 . . 1 . . . . . 622 V HN . 27119 1 275 . 1 1 108 108 VAL CA C 13 63.875 . . 1 . . . . . 622 V CA . 27119 1 276 . 1 1 108 108 VAL N N 15 121.965 . . 1 . . . . . 622 V N . 27119 1 277 . 1 1 109 109 SER H H 1 7.486 . . 1 . . . . . 623 S HN . 27119 1 278 . 1 1 109 109 SER CA C 13 57.431 . . 1 . . . . . 623 S CA . 27119 1 279 . 1 1 109 109 SER N N 15 111.951 . . 1 . . . . . 623 S N . 27119 1 280 . 1 1 110 110 TYR H H 1 7.023 . . 1 . . . . . 624 Y HN . 27119 1 281 . 1 1 110 110 TYR CA C 13 53.395 . . 1 . . . . . 624 Y CA . 27119 1 282 . 1 1 110 110 TYR N N 15 114.023 . . 1 . . . . . 624 Y N . 27119 1 283 . 1 1 111 111 VAL H H 1 8.009 . . 1 . . . . . 625 V HN . 27119 1 284 . 1 1 111 111 VAL CA C 13 59.309 . . 1 . . . . . 625 V CA . 27119 1 285 . 1 1 111 111 VAL N N 15 122.651 . . 1 . . . . . 625 V N . 27119 1 286 . 1 1 113 113 SER H H 1 9.002 . . 1 . . . . . 627 S HN . 27119 1 287 . 1 1 113 113 SER CA C 13 57.903 . . 1 . . . . . 627 S CA . 27119 1 288 . 1 1 113 113 SER N N 15 117.404 . . 1 . . . . . 627 S N . 27119 1 289 . 1 1 114 114 SER H H 1 7.696 . . 1 . . . . . 628 S HN . 27119 1 290 . 1 1 114 114 SER CA C 13 59.782 . . 1 . . . . . 628 S CA . 27119 1 291 . 1 1 114 114 SER N N 15 122.122 . . 1 . . . . . 628 S N . 27119 1 stop_ save_