################################### # 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 51023 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'FLN5 A3A3 283K' _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 HMQC' . . . 51023 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 . . 51023 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 9 9 SER H H 1 8.413 . . . . . . . . 645 S H . 51023 1 2 . 1 . 1 9 9 SER N N 15 115.615 . . . . . . . . 645 S N . 51023 1 3 . 1 . 1 10 10 LYS H H 1 8.357 . . . . . . . . 646 K H . 51023 1 4 . 1 . 1 10 10 LYS N N 15 124.446 . . . . . . . . 646 K N . 51023 1 5 . 1 . 1 12 12 ALA H H 1 8.558 . . . . . . . . 648 A H . 51023 1 6 . 1 . 1 12 12 ALA N N 15 126.155 . . . . . . . . 648 A N . 51023 1 7 . 1 . 1 14 14 SER H H 1 8.473 . . . . . . . . 650 S H . 51023 1 8 . 1 . 1 14 14 SER N N 15 116.277 . . . . . . . . 650 S N . 51023 1 9 . 1 . 1 15 15 ALA H H 1 8.547 . . . . . . . . 651 A H . 51023 1 10 . 1 . 1 15 15 ALA N N 15 126.231 . . . . . . . . 651 A N . 51023 1 11 . 1 . 1 16 16 GLU H H 1 8.421 . . . . . . . . 652 E H . 51023 1 12 . 1 . 1 16 16 GLU N N 15 119.762 . . . . . . . . 652 E N . 51023 1 13 . 1 . 1 17 17 HIS H H 1 8.230 . . . . . . . . 653 H H . 51023 1 14 . 1 . 1 17 17 HIS N N 15 120.412 . . . . . . . . 653 H N . 51023 1 15 . 1 . 1 18 18 SER H H 1 8.227 . . . . . . . . 654 S H . 51023 1 16 . 1 . 1 18 18 SER N N 15 117.308 . . . . . . . . 654 S N . 51023 1 17 . 1 . 1 19 19 TYR H H 1 8.344 . . . . . . . . 655 Y H . 51023 1 18 . 1 . 1 19 19 TYR N N 15 122.731 . . . . . . . . 655 Y N . 51023 1 19 . 1 . 1 20 20 ALA H H 1 8.334 . . . . . . . . 656 A H . 51023 1 20 . 1 . 1 20 20 ALA N N 15 125.948 . . . . . . . . 656 A N . 51023 1 21 . 1 . 1 21 21 GLU H H 1 8.407 . . . . . . . . 657 E H . 51023 1 22 . 1 . 1 21 21 GLU N N 15 120.426 . . . . . . . . 657 E N . 51023 1 23 . 1 . 1 22 22 GLY H H 1 8.515 . . . . . . . . 658 G H . 51023 1 24 . 1 . 1 22 22 GLY N N 15 110.525 . . . . . . . . 658 G N . 51023 1 25 . 1 . 1 23 23 GLU H H 1 8.330 . . . . . . . . 659 E H . 51023 1 26 . 1 . 1 23 23 GLU N N 15 120.973 . . . . . . . . 659 E N . 51023 1 27 . 1 . 1 24 24 GLY H H 1 8.528 . . . . . . . . 660 G H . 51023 1 28 . 1 . 1 24 24 GLY N N 15 109.722 . . . . . . . . 660 G N . 51023 1 29 . 1 . 1 25 25 ASN H H 1 8.039 . . . . . . . . 661 N H . 51023 1 30 . 1 . 1 25 25 ASN N N 15 121.549 . . . . . . . . 661 N N . 51023 1 31 . 1 . 1 26 26 VAL H H 1 8.205 . . . . . . . . 662 V H . 51023 1 32 . 1 . 1 26 26 VAL N N 15 122.349 . . . . . . . . 662 V N . 51023 1 33 . 1 . 1 27 27 LYS H H 1 8.532 . . . . . . . . 663 K H . 51023 1 34 . 1 . 1 27 27 LYS N N 15 127.050 . . . . . . . . 663 K N . 51023 1 35 . 1 . 1 28 28 VAL H H 1 8.384 . . . . . . . . 664 V H . 51023 1 36 . 1 . 1 28 28 VAL N N 15 123.424 . . . . . . . . 664 V N . 51023 1 37 . 1 . 1 29 29 ALA H H 1 8.536 . . . . . . . . 665 A H . 51023 1 38 . 1 . 1 29 29 ALA N N 15 128.468 . . . . . . . . 665 A N . 51023 1 39 . 1 . 1 30 30 ASP H H 1 8.413 . . . . . . . . 666 D H . 51023 1 40 . 1 . 1 30 30 ASP N N 15 120.589 . . . . . . . . 666 D N . 51023 1 41 . 1 . 1 31 31 ASN H H 1 8.416 . . . . . . . . 667 N H . 51023 1 42 . 1 . 1 31 31 ASN N N 15 119.017 . . . . . . . . 667 N N . 51023 1 43 . 1 . 1 32 32 ALA H H 1 8.285 . . . . . . . . 668 A H . 51023 1 44 . 1 . 1 32 32 ALA N N 15 125.649 . . . . . . . . 668 A N . 51023 1 45 . 1 . 1 34 34 ALA H H 1 8.539 . . . . . . . . 670 A H . 51023 1 46 . 1 . 1 34 34 ALA N N 15 124.872 . . . . . . . . 670 A N . 51023 1 47 . 1 . 1 35 35 GLU H H 1 8.511 . . . . . . . . 671 E H . 51023 1 48 . 1 . 1 35 35 GLU N N 15 120.565 . . . . . . . . 671 E N . 51023 1 49 . 1 . 1 36 36 ALA H H 1 8.462 . . . . . . . . 672 A H . 51023 1 50 . 1 . 1 36 36 ALA N N 15 125.525 . . . . . . . . 672 A N . 51023 1 51 . 1 . 1 37 37 THR H H 1 8.265 . . . . . . . . 673 T H . 51023 1 52 . 1 . 1 37 37 THR N N 15 114.854 . . . . . . . . 673 T N . 51023 1 53 . 1 . 1 38 38 ILE H H 1 8.282 . . . . . . . . 674 I H . 51023 1 54 . 1 . 1 38 38 ILE N N 15 124.404 . . . . . . . . 674 I N . 51023 1 55 . 1 . 1 39 39 ALA H H 1 8.474 . . . . . . . . 675 A H . 51023 1 56 . 1 . 1 39 39 ALA N N 15 129.138 . . . . . . . . 675 A N . 51023 1 57 . 1 . 1 40 40 ALA H H 1 8.389 . . . . . . . . 676 A H . 51023 1 58 . 1 . 1 40 40 ALA N N 15 124.468 . . . . . . . . 676 A N . 51023 1 59 . 1 . 1 41 41 VAL H H 1 8.237 . . . . . . . . 677 V H . 51023 1 60 . 1 . 1 41 41 VAL N N 15 119.664 . . . . . . . . 677 V N . 51023 1 61 . 1 . 1 42 42 ASP H H 1 8.538 . . . . . . . . 678 D H . 51023 1 62 . 1 . 1 42 42 ASP N N 15 124.508 . . . . . . . . 678 D N . 51023 1 63 . 1 . 1 43 43 THR H H 1 8.279 . . . . . . . . 679 T H . 51023 1 64 . 1 . 1 43 43 THR N N 15 115.504 . . . . . . . . 679 T N . 51023 1 65 . 1 . 1 44 44 LYS H H 1 8.444 . . . . . . . . 680 K H . 51023 1 66 . 1 . 1 44 44 LYS N N 15 123.378 . . . . . . . . 680 K N . 51023 1 67 . 1 . 1 45 45 GLY H H 1 8.438 . . . . . . . . 681 G H . 51023 1 68 . 1 . 1 45 45 GLY N N 15 109.812 . . . . . . . . 681 G N . 51023 1 69 . 1 . 1 46 46 VAL H H 1 8.048 . . . . . . . . 682 V H . 51023 1 70 . 1 . 1 46 46 VAL N N 15 119.869 . . . . . . . . 682 V N . 51023 1 71 . 1 . 1 47 47 ALA H H 1 8.521 . . . . . . . . 683 A H . 51023 1 72 . 1 . 1 47 47 ALA N N 15 128.526 . . . . . . . . 683 A N . 51023 1 73 . 1 . 1 48 48 ARG H H 1 8.538 . . . . . . . . 684 R H . 51023 1 74 . 1 . 1 48 48 ARG N N 15 121.482 . . . . . . . . 684 R N . 51023 1 75 . 1 . 1 49 49 THR H H 1 8.562 . . . . . . . . 685 T H . 51023 1 76 . 1 . 1 49 49 THR N N 15 115.198 . . . . . . . . 685 T N . 51023 1 77 . 1 . 1 50 50 ASP H H 1 8.441 . . . . . . . . 686 D H . 51023 1 78 . 1 . 1 50 50 ASP N N 15 122.379 . . . . . . . . 686 D N . 51023 1 79 . 1 . 1 51 51 GLY H H 1 8.465 . . . . . . . . 687 G H . 51023 1 80 . 1 . 1 51 51 GLY N N 15 109.497 . . . . . . . . 687 G N . 51023 1 81 . 1 . 1 52 52 GLY H H 1 8.297 . . . . . . . . 688 G H . 51023 1 82 . 1 . 1 52 52 GLY N N 15 108.711 . . . . . . . . 688 G N . 51023 1 83 . 1 . 1 53 53 ASP H H 1 8.424 . . . . . . . . 689 D H . 51023 1 84 . 1 . 1 53 53 ASP N N 15 121.830 . . . . . . . . 689 D N . 51023 1 85 . 1 . 1 55 55 PHE H H 1 8.358 . . . . . . . . 691 F H . 51023 1 86 . 1 . 1 55 55 PHE N N 15 119.505 . . . . . . . . 691 F N . 51023 1 87 . 1 . 1 56 56 GLU H H 1 8.045 . . . . . . . . 692 E H . 51023 1 88 . 1 . 1 56 56 GLU N N 15 122.583 . . . . . . . . 692 E N . 51023 1 89 . 1 . 1 57 57 VAL H H 1 8.245 . . . . . . . . 693 V H . 51023 1 90 . 1 . 1 57 57 VAL N N 15 122.504 . . . . . . . . 693 V N . 51023 1 91 . 1 . 1 58 58 ALA H H 1 8.479 . . . . . . . . 694 A H . 51023 1 92 . 1 . 1 58 58 ALA N N 15 128.485 . . . . . . . . 694 A N . 51023 1 93 . 1 . 1 59 59 ILE H H 1 8.287 . . . . . . . . 695 I H . 51023 1 94 . 1 . 1 59 59 ILE N N 15 120.803 . . . . . . . . 695 I N . 51023 1 95 . 1 . 1 60 60 ASN H H 1 8.569 . . . . . . . . 696 N H . 51023 1 96 . 1 . 1 60 60 ASN N N 15 122.343 . . . . . . . . 696 N N . 51023 1 97 . 1 . 1 61 61 GLY H H 1 8.313 . . . . . . . . 697 G H . 51023 1 98 . 1 . 1 61 61 GLY N N 15 109.561 . . . . . . . . 697 G N . 51023 1 99 . 1 . 1 63 63 ASP H H 1 8.499 . . . . . . . . 699 D H . 51023 1 100 . 1 . 1 63 63 ASP N N 15 119.729 . . . . . . . . 699 D N . 51023 1 101 . 1 . 1 64 64 GLY H H 1 8.261 . . . . . . . . 700 G H . 51023 1 102 . 1 . 1 64 64 GLY N N 15 108.923 . . . . . . . . 700 G N . 51023 1 103 . 1 . 1 65 65 LEU H H 1 8.062 . . . . . . . . 701 L H . 51023 1 104 . 1 . 1 65 65 LEU N N 15 121.822 . . . . . . . . 701 L N . 51023 1 105 . 1 . 1 66 66 VAL H H 1 8.324 . . . . . . . . 702 V H . 51023 1 106 . 1 . 1 66 66 VAL N N 15 123.425 . . . . . . . . 702 V N . 51023 1 107 . 1 . 1 67 67 VAL H H 1 8.423 . . . . . . . . 703 V H . 51023 1 108 . 1 . 1 67 67 VAL N N 15 125.730 . . . . . . . . 703 V N . 51023 1 109 . 1 . 1 68 68 ASP H H 1 8.511 . . . . . . . . 704 D H . 51023 1 110 . 1 . 1 68 68 ASP N N 15 125.210 . . . . . . . . 704 D N . 51023 1 111 . 1 . 1 69 69 ALA H H 1 8.368 . . . . . . . . 705 A H . 51023 1 112 . 1 . 1 69 69 ALA N N 15 125.550 . . . . . . . . 705 A N . 51023 1 113 . 1 . 1 70 70 LYS H H 1 8.433 . . . . . . . . 706 K H . 51023 1 114 . 1 . 1 70 70 LYS N N 15 120.948 . . . . . . . . 706 K N . 51023 1 115 . 1 . 1 71 71 VAL H H 1 8.322 . . . . . . . . 707 V H . 51023 1 116 . 1 . 1 71 71 VAL N N 15 122.363 . . . . . . . . 707 V N . 51023 1 117 . 1 . 1 72 72 THR H H 1 8.324 . . . . . . . . 708 T H . 51023 1 118 . 1 . 1 72 72 THR N N 15 118.144 . . . . . . . . 708 T N . 51023 1 119 . 1 . 1 73 73 ASP H H 1 8.416 . . . . . . . . 709 D H . 51023 1 120 . 1 . 1 73 73 ASP N N 15 123.269 . . . . . . . . 709 D N . 51023 1 121 . 1 . 1 74 74 ASN H H 1 8.526 . . . . . . . . 710 N H . 51023 1 122 . 1 . 1 74 74 ASN N N 15 119.643 . . . . . . . . 710 N N . 51023 1 123 . 1 . 1 75 75 ASN H H 1 8.625 . . . . . . . . 711 N H . 51023 1 124 . 1 . 1 75 75 ASN N N 15 119.731 . . . . . . . . 711 N N . 51023 1 125 . 1 . 1 76 76 ASP H H 1 8.405 . . . . . . . . 712 D H . 51023 1 126 . 1 . 1 76 76 ASP N N 15 120.774 . . . . . . . . 712 D N . 51023 1 127 . 1 . 1 77 77 GLY H H 1 8.506 . . . . . . . . 713 G H . 51023 1 128 . 1 . 1 77 77 GLY N N 15 109.509 . . . . . . . . 713 G N . 51023 1 129 . 1 . 1 78 78 THR H H 1 8.192 . . . . . . . . 714 T H . 51023 1 130 . 1 . 1 78 78 THR N N 15 113.700 . . . . . . . . 714 T N . 51023 1 131 . 1 . 1 79 79 ALA H H 1 8.438 . . . . . . . . 715 A H . 51023 1 132 . 1 . 1 79 79 ALA N N 15 126.524 . . . . . . . . 715 A N . 51023 1 133 . 1 . 1 80 80 GLY H H 1 8.413 . . . . . . . . 716 G H . 51023 1 134 . 1 . 1 80 80 GLY N N 15 108.474 . . . . . . . . 716 G N . 51023 1 135 . 1 . 1 81 81 VAL H H 1 8.061 . . . . . . . . 717 V H . 51023 1 136 . 1 . 1 81 81 VAL N N 15 120.322 . . . . . . . . 717 V N . 51023 1 137 . 1 . 1 82 82 VAL H H 1 8.449 . . . . . . . . 718 V H . 51023 1 138 . 1 . 1 82 82 VAL N N 15 126.139 . . . . . . . . 718 V N . 51023 1 139 . 1 . 1 83 83 ALA H H 1 8.568 . . . . . . . . 719 A H . 51023 1 140 . 1 . 1 83 83 ALA N N 15 129.258 . . . . . . . . 719 A N . 51023 1 141 . 1 . 1 84 84 ASP H H 1 8.396 . . . . . . . . 720 D H . 51023 1 142 . 1 . 1 84 84 ASP N N 15 120.355 . . . . . . . . 720 D N . 51023 1 143 . 1 . 1 85 85 ALA H H 1 8.231 . . . . . . . . 721 A H . 51023 1 144 . 1 . 1 85 85 ALA N N 15 125.542 . . . . . . . . 721 A N . 51023 1 145 . 1 . 1 87 87 VAL H H 1 8.441 . . . . . . . . 723 V H . 51023 1 146 . 1 . 1 87 87 VAL N N 15 121.431 . . . . . . . . 723 V N . 51023 1 147 . 1 . 1 88 88 GLU H H 1 8.677 . . . . . . . . 724 E H . 51023 1 148 . 1 . 1 88 88 GLU N N 15 125.361 . . . . . . . . 724 E N . 51023 1 149 . 1 . 1 89 89 GLY H H 1 8.568 . . . . . . . . 725 G H . 51023 1 150 . 1 . 1 89 89 GLY N N 15 110.708 . . . . . . . . 725 G N . 51023 1 151 . 1 . 1 91 91 ALA H H 1 8.452 . . . . . . . . 727 A H . 51023 1 152 . 1 . 1 91 91 ALA N N 15 124.538 . . . . . . . . 727 A N . 51023 1 153 . 1 . 1 92 92 ASN H H 1 8.490 . . . . . . . . 728 N H . 51023 1 154 . 1 . 1 92 92 ASN N N 15 117.691 . . . . . . . . 728 N N . 51023 1 155 . 1 . 1 93 93 VAL H H 1 8.055 . . . . . . . . 729 V H . 51023 1 156 . 1 . 1 93 93 VAL N N 15 119.997 . . . . . . . . 729 V N . 51023 1 157 . 1 . 1 94 94 ASN H H 1 8.588 . . . . . . . . 730 N H . 51023 1 158 . 1 . 1 94 94 ASN N N 15 122.309 . . . . . . . . 730 N N . 51023 1 159 . 1 . 1 95 95 VAL H H 1 8.217 . . . . . . . . 731 V H . 51023 1 160 . 1 . 1 95 95 VAL N N 15 120.877 . . . . . . . . 731 V N . 51023 1 161 . 1 . 1 96 96 THR H H 1 8.329 . . . . . . . . 732 T H . 51023 1 162 . 1 . 1 96 96 THR N N 15 118.109 . . . . . . . . 732 T N . 51023 1 163 . 1 . 1 97 97 LEU H H 1 8.292 . . . . . . . . 733 L H . 51023 1 164 . 1 . 1 97 97 LEU N N 15 124.859 . . . . . . . . 733 L N . 51023 1 165 . 1 . 1 98 98 ARG H H 1 8.360 . . . . . . . . 734 R H . 51023 1 166 . 1 . 1 98 98 ARG N N 15 121.943 . . . . . . . . 734 R N . 51023 1 167 . 1 . 1 99 99 GLY H H 1 8.406 . . . . . . . . 735 G H . 51023 1 168 . 1 . 1 99 99 GLY N N 15 109.634 . . . . . . . . 735 G N . 51023 1 169 . 1 . 1 102 102 ILE H H 1 8.285 . . . . . . . . 738 I H . 51023 1 170 . 1 . 1 102 102 ILE N N 15 121.488 . . . . . . . . 738 I N . 51023 1 171 . 1 . 1 103 103 LYS H H 1 8.408 . . . . . . . . 739 K H . 51023 1 172 . 1 . 1 103 103 LYS N N 15 125.802 . . . . . . . . 739 K N . 51023 1 173 . 1 . 1 104 104 ASN H H 1 8.535 . . . . . . . . 740 N H . 51023 1 174 . 1 . 1 104 104 ASN N N 15 120.351 . . . . . . . . 740 N N . 51023 1 175 . 1 . 1 105 105 MET H H 1 8.396 . . . . . . . . 741 M H . 51023 1 176 . 1 . 1 105 105 MET N N 15 122.372 . . . . . . . . 741 M N . 51023 1 177 . 1 . 1 107 107 ILE H H 1 8.343 . . . . . . . . 743 I H . 51023 1 178 . 1 . 1 107 107 ILE N N 15 120.905 . . . . . . . . 743 I N . 51023 1 179 . 1 . 1 108 108 ASP H H 1 8.499 . . . . . . . . 744 D H . 51023 1 180 . 1 . 1 108 108 ASP N N 15 125.205 . . . . . . . . 744 D N . 51023 1 181 . 1 . 1 109 109 VAL H H 1 8.180 . . . . . . . . 745 V H . 51023 1 182 . 1 . 1 109 109 VAL N N 15 121.482 . . . . . . . . 745 V N . 51023 1 183 . 1 . 1 110 110 LYS H H 1 8.485 . . . . . . . . 746 K H . 51023 1 184 . 1 . 1 110 110 LYS N N 15 124.770 . . . . . . . . 746 K N . 51023 1 185 . 1 . 1 111 111 CYS H H 1 8.470 . . . . . . . . 747 C H . 51023 1 186 . 1 . 1 111 111 CYS N N 15 121.593 . . . . . . . . 747 C N . 51023 1 187 . 1 . 1 112 112 ILE H H 1 8.360 . . . . . . . . 748 I H . 51023 1 188 . 1 . 1 112 112 ILE N N 15 123.973 . . . . . . . . 748 I N . 51023 1 189 . 1 . 1 113 113 GLU H H 1 8.583 . . . . . . . . 749 E H . 51023 1 190 . 1 . 1 113 113 GLU N N 15 125.737 . . . . . . . . 749 E N . 51023 1 191 . 1 . 1 114 114 GLY H H 1 8.099 . . . . . . . . 750 G H . 51023 1 192 . 1 . 1 114 114 GLY N N 15 116.750 . . . . . . . . 750 G N . 51023 1 stop_ save_