################################### # 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 16056 _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 DQF-COSY' . . . 16056 1 2 '2D 1H-1H TOCSY' . . . 16056 1 3 '2D 1H-1H NOESY' . . . 16056 1 4 '2D 1H-13C HSQC' . . . 16056 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 $NMRView . . 16056 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 2 2 LYS H H 1 8.637 0.05 . 1 . . . . 447 K H . 16056 1 2 . 1 1 2 2 LYS HA H 1 4.077 0.05 . 1 . . . . 447 K HA . 16056 1 3 . 1 1 2 2 LYS HB2 H 1 1.815 0.05 . 2 . . . . 447 K HB1 . 16056 1 4 . 1 1 2 2 LYS HB3 H 1 1.815 0.05 . 2 . . . . 447 K HB2 . 16056 1 5 . 1 1 2 2 LYS HD2 H 1 1.689 0.05 . 2 . . . . 447 K HD1 . 16056 1 6 . 1 1 2 2 LYS HD3 H 1 1.689 0.05 . 2 . . . . 447 K HD2 . 16056 1 7 . 1 1 2 2 LYS HE2 H 1 2.962 0.05 . 2 . . . . 447 K HE1 . 16056 1 8 . 1 1 2 2 LYS HE3 H 1 2.962 0.05 . 2 . . . . 447 K HE2 . 16056 1 9 . 1 1 2 2 LYS HG2 H 1 1.474 0.05 . 2 . . . . 447 K HG1 . 16056 1 10 . 1 1 2 2 LYS HG3 H 1 1.474 0.05 . 2 . . . . 447 K HG2 . 16056 1 11 . 1 1 2 2 LYS HZ1 H 1 7.770 0.05 . 1 . . . . 447 K HZ1 . 16056 1 12 . 1 1 2 2 LYS HZ2 H 1 7.770 0.05 . 1 . . . . 447 K HZ1 . 16056 1 13 . 1 1 2 2 LYS HZ3 H 1 7.770 0.05 . 1 . . . . 447 K HZ1 . 16056 1 14 . 1 1 2 2 LYS CA C 13 58.533 0.5 . 1 . . . . 447 K CA . 16056 1 15 . 1 1 2 2 LYS CD C 13 29.589 0.5 . 1 . . . . 447 K CD . 16056 1 16 . 1 1 2 2 LYS CE C 13 42.023 0.5 . 1 . . . . 447 K CE . 16056 1 17 . 1 1 2 2 LYS CG C 13 24.794 0.5 . 1 . . . . 447 K CG . 16056 1 18 . 1 1 3 3 ASP H H 1 8.575 0.05 . 1 . . . . 448 D HN . 16056 1 19 . 1 1 3 3 ASP HA H 1 4.431 0.05 . 1 . . . . 448 D HA . 16056 1 20 . 1 1 3 3 ASP HB2 H 1 2.652 0.05 . 2 . . . . 448 D HB1 . 16056 1 21 . 1 1 3 3 ASP HB3 H 1 2.652 0.05 . 2 . . . . 448 D HB2 . 16056 1 22 . 1 1 3 3 ASP CA C 13 55.579 0.5 . 1 . . . . 448 D CA . 16056 1 23 . 1 1 3 3 ASP CB C 13 40.933 0.5 . 1 . . . . 448 D CB . 16056 1 24 . 1 1 4 4 GLN H H 1 8.057 0.05 . 1 . . . . 449 Q HN . 16056 1 25 . 1 1 4 4 GLN HA H 1 4.100 0.05 . 1 . . . . 449 Q HA . 16056 1 26 . 1 1 4 4 GLN HB2 H 1 2.014 0.05 . 2 . . . . 449 Q HB1 . 16056 1 27 . 1 1 4 4 GLN HB3 H 1 2.014 0.05 . 2 . . . . 449 Q HB2 . 16056 1 28 . 1 1 4 4 GLN HE21 H 1 6.799 0.05 . 2 . . . . 449 Q HE21 . 16056 1 29 . 1 1 4 4 GLN HE22 H 1 7.524 0.05 . 2 . . . . 449 Q HE22 . 16056 1 30 . 1 1 4 4 GLN HG2 H 1 2.296 0.05 . 2 . . . . 449 Q HG1 . 16056 1 31 . 1 1 4 4 GLN HG3 H 1 2.296 0.05 . 2 . . . . 449 Q HG2 . 16056 1 32 . 1 1 4 4 GLN CB C 13 28.788 0.5 . 1 . . . . 449 Q CB . 16056 1 33 . 1 1 4 4 GLN CG C 13 34.091 0.5 . 1 . . . . 449 Q CG . 16056 1 34 . 1 1 5 5 PHE H H 1 8.230 0.05 . 1 . . . . 450 F HN . 16056 1 35 . 1 1 5 5 PHE HA H 1 4.361 0.05 . 1 . . . . 450 F HA . 16056 1 36 . 1 1 5 5 PHE HB2 H 1 3.167 0.05 . 2 . . . . 450 F HB1 . 16056 1 37 . 1 1 5 5 PHE HB3 H 1 3.167 0.05 . 2 . . . . 450 F HB2 . 16056 1 38 . 1 1 5 5 PHE HD1 H 1 7.222 0.05 . 3 . . . . 450 F HD1 . 16056 1 39 . 1 1 5 5 PHE HD2 H 1 7.222 0.05 . 3 . . . . 450 F HD2 . 16056 1 40 . 1 1 5 5 PHE HE1 H 1 7.222 0.05 . 3 . . . . 450 F HE1 . 16056 1 41 . 1 1 5 5 PHE HE2 H 1 7.222 0.05 . 3 . . . . 450 F HE2 . 16056 1 42 . 1 1 5 5 PHE CA C 13 60.293 0.5 . 1 . . . . 450 F CA . 16056 1 43 . 1 1 5 5 PHE CB C 13 39.376 0.5 . 1 . . . . 450 F CB . 16056 1 44 . 1 1 6 6 ILE H H 1 7.941 0.05 . 1 . . . . 451 I HN . 16056 1 45 . 1 1 6 6 ILE HA H 1 3.803 0.05 . 1 . . . . 451 I HA . 16056 1 46 . 1 1 6 6 ILE HB H 1 1.969 0.05 . 1 . . . . 451 I HB . 16056 1 47 . 1 1 6 6 ILE HD11 H 1 0.883 0.05 . 1 . . . . 451 I HD11 . 16056 1 48 . 1 1 6 6 ILE HD12 H 1 0.883 0.05 . 1 . . . . 451 I HD11 . 16056 1 49 . 1 1 6 6 ILE HD13 H 1 0.883 0.05 . 1 . . . . 451 I HD11 . 16056 1 50 . 1 1 6 6 ILE HG12 H 1 1.204 0.05 . 9 . . . . 451 I HG11 . 16056 1 51 . 1 1 6 6 ILE HG13 H 1 1.651 0.05 . 9 . . . . 451 I HG12 . 16056 1 52 . 1 1 6 6 ILE HG21 H 1 0.912 0.05 . 1 . . . . 451 I HG21 . 16056 1 53 . 1 1 6 6 ILE HG22 H 1 0.912 0.05 . 1 . . . . 451 I HG21 . 16056 1 54 . 1 1 6 6 ILE HG23 H 1 0.912 0.05 . 1 . . . . 451 I HG21 . 16056 1 55 . 1 1 6 6 ILE CA C 13 63.680 0.5 . 1 . . . . 451 I CA . 16056 1 56 . 1 1 6 6 ILE CG2 C 13 17.743 0.5 . 1 . . . . 451 I CG2 . 16056 1 57 . 1 1 7 7 ILE H H 1 7.783 0.05 . 1 . . . . 452 I HN . 16056 1 58 . 1 1 7 7 ILE HA H 1 3.851 0.05 . 1 . . . . 452 I HA . 16056 1 59 . 1 1 7 7 ILE HB H 1 1.851 0.05 . 1 . . . . 452 I HB . 16056 1 60 . 1 1 7 7 ILE HD11 H 1 0.837 0.05 . 1 . . . . 452 I HD11 . 16056 1 61 . 1 1 7 7 ILE HD12 H 1 0.837 0.05 . 1 . . . . 452 I HD11 . 16056 1 62 . 1 1 7 7 ILE HD13 H 1 0.837 0.05 . 1 . . . . 452 I HD11 . 16056 1 63 . 1 1 7 7 ILE HG12 H 1 1.180 0.05 . 9 . . . . 452 I HG11 . 16056 1 64 . 1 1 7 7 ILE HG13 H 1 1.592 0.05 . 9 . . . . 452 I HG12 . 16056 1 65 . 1 1 7 7 ILE HG21 H 1 0.878 0.05 . 1 . . . . 452 I HG21 . 16056 1 66 . 1 1 7 7 ILE HG22 H 1 0.878 0.05 . 1 . . . . 452 I HG21 . 16056 1 67 . 1 1 7 7 ILE HG23 H 1 0.878 0.05 . 1 . . . . 452 I HG21 . 16056 1 68 . 1 1 7 7 ILE CA C 13 63.423 0.5 . 1 . . . . 452 I CA . 16056 1 69 . 1 1 7 7 ILE CB C 13 38.413 0.5 . 1 . . . . 452 I CB . 16056 1 70 . 1 1 8 8 ALA H H 1 7.982 0.05 . 1 . . . . 453 A HN . 16056 1 71 . 1 1 8 8 ALA HA H 1 4.104 0.05 . 1 . . . . 453 A HA . 16056 1 72 . 1 1 8 8 ALA HB1 H 1 1.262 0.05 . 1 . . . . 453 A HB1 . 16056 1 73 . 1 1 8 8 ALA HB2 H 1 1.262 0.05 . 1 . . . . 453 A HB1 . 16056 1 74 . 1 1 8 8 ALA HB3 H 1 1.262 0.05 . 1 . . . . 453 A HB1 . 16056 1 75 . 1 1 8 8 ALA CB C 13 18.892 0.5 . 1 . . . . 453 A CB . 16056 1 76 . 1 1 9 9 TYR H H 1 8.034 0.05 . 1 . . . . 454 Y HN . 16056 1 77 . 1 1 9 9 TYR HA H 1 4.283 0.05 . 1 . . . . 454 Y HA . 16056 1 78 . 1 1 9 9 TYR HB2 H 1 3.067 0.05 . 2 . . . . 454 Y HB1 . 16056 1 79 . 1 1 9 9 TYR HB3 H 1 2.721 0.05 . 2 . . . . 454 Y HB2 . 16056 1 80 . 1 1 9 9 TYR HD1 H 1 6.919 0.05 . 3 . . . . 454 Y HD1 . 16056 1 81 . 1 1 9 9 TYR HD2 H 1 6.919 0.05 . 3 . . . . 454 Y HD2 . 16056 1 82 . 1 1 9 9 TYR HE1 H 1 6.587 0.05 . 3 . . . . 454 Y HE1 . 16056 1 83 . 1 1 9 9 TYR HE2 H 1 6.587 0.05 . 3 . . . . 454 Y HE2 . 16056 1 84 . 1 1 9 9 TYR CA C 13 59.582 0.5 . 1 . . . . 454 Y CA . 16056 1 85 . 1 1 9 9 TYR CB C 13 38.586 0.5 . 1 . . . . 454 Y CB . 16056 1 86 . 1 1 10 10 GLY H H 1 8.106 0.05 . 1 . . . . 455 G HN . 16056 1 87 . 1 1 10 10 GLY HA2 H 1 4.018 0.05 . 2 . . . . 455 G HA1 . 16056 1 88 . 1 1 10 10 GLY HA3 H 1 3.799 0.05 . 2 . . . . 455 G HA2 . 16056 1 89 . 1 1 11 11 GLY H H 1 8.124 0.05 . 1 . . . . 456 G HN . 16056 1 90 . 1 1 11 11 GLY HA2 H 1 4.056 0.05 . 2 . . . . 456 G HA1 . 16056 1 91 . 1 1 11 11 GLY HA3 H 1 3.959 0.05 . 2 . . . . 456 G HA2 . 16056 1 92 . 1 1 12 12 LEU H H 1 8.450 0.05 . 1 . . . . 457 L HN . 16056 1 93 . 1 1 12 12 LEU HA H 1 4.102 0.05 . 1 . . . . 457 L HA . 16056 1 94 . 1 1 12 12 LEU HB2 H 1 1.563 0.05 . 2 . . . . 457 L HB1 . 16056 1 95 . 1 1 12 12 LEU HB3 H 1 1.563 0.05 . 2 . . . . 457 L HB2 . 16056 1 96 . 1 1 12 12 LEU HD11 H 1 0.960 0.05 . 2 . . . . 457 L HD11 . 16056 1 97 . 1 1 12 12 LEU HD12 H 1 0.960 0.05 . 2 . . . . 457 L HD11 . 16056 1 98 . 1 1 12 12 LEU HD13 H 1 0.960 0.05 . 2 . . . . 457 L HD11 . 16056 1 99 . 1 1 12 12 LEU HD21 H 1 0.922 0.05 . 2 . . . . 457 L HD21 . 16056 1 100 . 1 1 12 12 LEU HD22 H 1 0.922 0.05 . 2 . . . . 457 L HD21 . 16056 1 101 . 1 1 12 12 LEU HD23 H 1 0.922 0.05 . 2 . . . . 457 L HD21 . 16056 1 102 . 1 1 12 12 LEU HG H 1 1.734 0.05 . 1 . . . . 457 L HG . 16056 1 103 . 1 1 12 12 LEU CD1 C 13 24.689 0.5 . 2 . . . . 457 L CD1 . 16056 1 104 . 1 1 12 12 LEU CD2 C 13 25.330 0.5 . 2 . . . . 457 L CD2 . 16056 1 105 . 1 1 13 13 ARG H H 1 8.612 0.05 . 1 . . . . 458 R HN . 16056 1 106 . 1 1 13 13 ARG HA H 1 3.809 0.05 . 1 . . . . 458 R HA . 16056 1 107 . 1 1 13 13 ARG HB2 H 1 1.815 0.05 . 2 . . . . 458 R HB1 . 16056 1 108 . 1 1 13 13 ARG HB3 H 1 1.815 0.05 . 2 . . . . 458 R HB2 . 16056 1 109 . 1 1 13 13 ARG HD2 H 1 3.169 0.05 . 2 . . . . 458 R HD1 . 16056 1 110 . 1 1 13 13 ARG HD3 H 1 3.169 0.05 . 2 . . . . 458 R HD2 . 16056 1 111 . 1 1 13 13 ARG HE H 1 7.650 0.05 . 1 . . . . 458 R HE . 16056 1 112 . 1 1 13 13 ARG HG2 H 1 1.647 0.05 . 2 . . . . 458 R HG1 . 16056 1 113 . 1 1 13 13 ARG HG3 H 1 1.570 0.05 . 2 . . . . 458 R HG2 . 16056 1 114 . 1 1 13 13 ARG HH11 H 1 6.922 0.05 . 2 . . . . 458 R HH11 . 16056 1 115 . 1 1 13 13 ARG HH12 H 1 6.922 0.05 . 2 . . . . 458 R HH12 . 16056 1 116 . 1 1 13 13 ARG HH21 H 1 6.922 0.05 . 2 . . . . 458 R HH21 . 16056 1 117 . 1 1 13 13 ARG HH22 H 1 6.922 0.05 . 2 . . . . 458 R HH22 . 16056 1 118 . 1 1 13 13 ARG CA C 13 60.401 0.5 . 1 . . . . 458 R CA . 16056 1 119 . 1 1 13 13 ARG CD C 13 43.494 0.5 . 1 . . . . 458 R CD . 16056 1 120 . 1 1 14 14 GLY H H 1 8.167 0.05 . 1 . . . . 459 G HN . 16056 1 121 . 1 1 14 14 GLY HA2 H 1 4.016 0.05 . 2 . . . . 459 G HA1 . 16056 1 122 . 1 1 14 14 GLY HA3 H 1 3.897 0.05 . 2 . . . . 459 G HA2 . 16056 1 123 . 1 1 15 15 ALA H H 1 8.282 0.05 . 1 . . . . 460 A HN . 16056 1 124 . 1 1 15 15 ALA HA H 1 4.210 0.05 . 1 . . . . 460 A HA . 16056 1 125 . 1 1 15 15 ALA HB1 H 1 1.536 0.05 . 1 . . . . 460 A HB1 . 16056 1 126 . 1 1 15 15 ALA HB2 H 1 1.536 0.05 . 1 . . . . 460 A HB1 . 16056 1 127 . 1 1 15 15 ALA HB3 H 1 1.536 0.05 . 1 . . . . 460 A HB1 . 16056 1 128 . 1 1 15 15 ALA CA C 13 55.287 0.5 . 1 . . . . 460 A CA . 16056 1 129 . 1 1 15 15 ALA CB C 13 18.530 0.5 . 1 . . . . 460 A CB . 16056 1 130 . 1 1 16 16 ILE H H 1 8.491 0.05 . 1 . . . . 461 I HN . 16056 1 131 . 1 1 16 16 ILE HA H 1 3.707 0.05 . 1 . . . . 461 I HA . 16056 1 132 . 1 1 16 16 ILE HB H 1 2.032 0.05 . 1 . . . . 461 I HB . 16056 1 133 . 1 1 16 16 ILE HD11 H 1 0.833 0.05 . 1 . . . . 461 I HD11 . 16056 1 134 . 1 1 16 16 ILE HD12 H 1 0.833 0.05 . 1 . . . . 461 I HD11 . 16056 1 135 . 1 1 16 16 ILE HD13 H 1 0.833 0.05 . 1 . . . . 461 I HD11 . 16056 1 136 . 1 1 16 16 ILE HG12 H 1 1.139 0.05 . 9 . . . . 461 I HG11 . 16056 1 137 . 1 1 16 16 ILE HG13 H 1 1.819 0.05 . 9 . . . . 461 I HG12 . 16056 1 138 . 1 1 16 16 ILE HG21 H 1 0.914 0.05 . 1 . . . . 461 I HG21 . 16056 1 139 . 1 1 16 16 ILE HG22 H 1 0.914 0.05 . 1 . . . . 461 I HG21 . 16056 1 140 . 1 1 16 16 ILE HG23 H 1 0.914 0.05 . 1 . . . . 461 I HG21 . 16056 1 141 . 1 1 16 16 ILE CA C 13 65.002 0.5 . 1 . . . . 461 I CA . 16056 1 142 . 1 1 16 16 ILE CB C 13 37.656 0.5 . 1 . . . . 461 I CB . 16056 1 143 . 1 1 16 16 ILE CD1 C 13 18.450 0.5 . 1 . . . . 461 I CD1 . 16056 1 144 . 1 1 16 16 ILE CG2 C 13 17.743 0.5 . 1 . . . . 461 I CG2 . 16056 1 145 . 1 1 17 17 ALA H H 1 8.449 0.05 . 1 . . . . 462 A HN . 16056 1 146 . 1 1 17 17 ALA HA H 1 4.016 0.05 . 1 . . . . 462 A HA . 16056 1 147 . 1 1 17 17 ALA HB1 H 1 1.561 0.05 . 1 . . . . 462 A HB1 . 16056 1 148 . 1 1 17 17 ALA HB2 H 1 1.561 0.05 . 1 . . . . 462 A HB1 . 16056 1 149 . 1 1 17 17 ALA HB3 H 1 1.561 0.05 . 1 . . . . 462 A HB1 . 16056 1 150 . 1 1 17 17 ALA CA C 13 55.971 0.5 . 1 . . . . 462 A CA . 16056 1 151 . 1 1 17 17 ALA CB C 13 18.530 0.5 . 1 . . . . 462 A CB . 16056 1 152 . 1 1 18 18 PHE H H 1 8.384 0.05 . 1 . . . . 463 F HN . 16056 1 153 . 1 1 18 18 PHE HA H 1 4.253 0.05 . 1 . . . . 463 F HA . 16056 1 154 . 1 1 18 18 PHE HB2 H 1 3.315 0.05 . 2 . . . . 463 F HB1 . 16056 1 155 . 1 1 18 18 PHE HB3 H 1 3.108 0.05 . 2 . . . . 463 F HB2 . 16056 1 156 . 1 1 18 18 PHE HD1 H 1 7.208 0.05 . 3 . . . . 463 F HD1 . 16056 1 157 . 1 1 18 18 PHE HD2 H 1 7.208 0.05 . 3 . . . . 463 F HD2 . 16056 1 158 . 1 1 18 18 PHE HE1 H 1 7.260 0.05 . 3 . . . . 463 F HE1 . 16056 1 159 . 1 1 18 18 PHE HE2 H 1 7.260 0.05 . 3 . . . . 463 F HE2 . 16056 1 160 . 1 1 18 18 PHE CA C 13 60.942 0.5 . 1 . . . . 463 F CA . 16056 1 161 . 1 1 19 19 SER H H 1 8.125 0.05 . 1 . . . . 464 S HN . 16056 1 162 . 1 1 19 19 SER HA H 1 4.017 0.05 . 1 . . . . 464 S HA . 16056 1 163 . 1 1 19 19 SER HB2 H 1 3.802 0.05 . 2 . . . . 464 S HB1 . 16056 1 164 . 1 1 19 19 SER HB3 H 1 3.802 0.05 . 2 . . . . 464 S HB2 . 16056 1 165 . 1 1 20 20 LEU H H 1 8.449 0.05 . 1 . . . . 465 L HN . 16056 1 166 . 1 1 20 20 LEU HA H 1 4.100 0.05 . 1 . . . . 465 L HA . 16056 1 167 . 1 1 20 20 LEU HB2 H 1 1.537 0.05 . 2 . . . . 465 L HB1 . 16056 1 168 . 1 1 20 20 LEU HB3 H 1 1.537 0.05 . 2 . . . . 465 L HB2 . 16056 1 169 . 1 1 20 20 LEU HD11 H 1 0.884 0.05 . 2 . . . . 465 L HD11 . 16056 1 170 . 1 1 20 20 LEU HD12 H 1 0.884 0.05 . 2 . . . . 465 L HD11 . 16056 1 171 . 1 1 20 20 LEU HD13 H 1 0.884 0.05 . 2 . . . . 465 L HD11 . 16056 1 172 . 1 1 20 20 LEU HD21 H 1 0.852 0.05 . 2 . . . . 465 L HD21 . 16056 1 173 . 1 1 20 20 LEU HD22 H 1 0.852 0.05 . 2 . . . . 465 L HD21 . 16056 1 174 . 1 1 20 20 LEU HD23 H 1 0.852 0.05 . 2 . . . . 465 L HD21 . 16056 1 175 . 1 1 20 20 LEU HG H 1 1.860 0.05 . 1 . . . . 465 L HG . 16056 1 176 . 1 1 20 20 LEU CD1 C 13 25.484 0.5 . 2 . . . . 465 L CD1 . 16056 1 177 . 1 1 20 20 LEU CD2 C 13 23.506 0.5 . 2 . . . . 465 L CD2 . 16056 1 178 . 1 1 20 20 LEU CG C 13 27.010 0.5 . 1 . . . . 465 L CG . 16056 1 179 . 1 1 21 21 GLY H H 1 7.929 0.05 . 1 . . . . 466 G HN . 16056 1 180 . 1 1 21 21 GLY HA2 H 1 3.849 0.05 . 2 . . . . 466 G HA1 . 16056 1 181 . 1 1 21 21 GLY HA3 H 1 3.698 0.05 . 2 . . . . 466 G HA2 . 16056 1 182 . 1 1 22 22 TYR H H 1 7.852 0.05 . 1 . . . . 467 Y HN . 16056 1 183 . 1 1 22 22 TYR HA H 1 4.118 0.05 . 1 . . . . 467 Y HA . 16056 1 184 . 1 1 22 22 TYR HB2 H 1 2.989 0.05 . 2 . . . . 467 Y HB1 . 16056 1 185 . 1 1 22 22 TYR HB3 H 1 2.727 0.05 . 2 . . . . 467 Y HB2 . 16056 1 186 . 1 1 22 22 TYR HD1 H 1 6.975 0.05 . 3 . . . . 467 Y HD1 . 16056 1 187 . 1 1 22 22 TYR HD2 H 1 6.975 0.05 . 3 . . . . 467 Y HD2 . 16056 1 188 . 1 1 22 22 TYR HE1 H 1 6.765 0.05 . 3 . . . . 467 Y HE1 . 16056 1 189 . 1 1 22 22 TYR HE2 H 1 6.765 0.05 . 3 . . . . 467 Y HE2 . 16056 1 190 . 1 1 22 22 TYR CB C 13 38.713 0.5 . 1 . . . . 467 Y CB . 16056 1 191 . 1 1 23 23 LEU H H 1 7.926 0.05 . 1 . . . . 468 L HN . 16056 1 192 . 1 1 23 23 LEU HA H 1 3.911 0.05 . 1 . . . . 468 L HA . 16056 1 193 . 1 1 23 23 LEU HB2 H 1 1.899 0.05 . 2 . . . . 468 L HB1 . 16056 1 194 . 1 1 23 23 LEU HB3 H 1 1.899 0.05 . 2 . . . . 468 L HB2 . 16056 1 195 . 1 1 23 23 LEU HD11 H 1 0.925 0.05 . 2 . . . . 468 L HD11 . 16056 1 196 . 1 1 23 23 LEU HD12 H 1 0.925 0.05 . 2 . . . . 468 L HD11 . 16056 1 197 . 1 1 23 23 LEU HD13 H 1 0.925 0.05 . 2 . . . . 468 L HD11 . 16056 1 198 . 1 1 23 23 LEU HD21 H 1 0.925 0.05 . 2 . . . . 468 L HD21 . 16056 1 199 . 1 1 23 23 LEU HD22 H 1 0.925 0.05 . 2 . . . . 468 L HD21 . 16056 1 200 . 1 1 23 23 LEU HD23 H 1 0.925 0.05 . 2 . . . . 468 L HD21 . 16056 1 201 . 1 1 23 23 LEU HG H 1 1.541 0.05 . 1 . . . . 468 L HG . 16056 1 202 . 1 1 23 23 LEU CA C 13 57.298 0.5 . 1 . . . . 468 L CA . 16056 1 203 . 1 1 23 23 LEU CG C 13 26.983 0.5 . 1 . . . . 468 L CG . 16056 1 204 . 1 1 24 24 LEU H H 1 8.018 0.05 . 1 . . . . 469 L HN . 16056 1 205 . 1 1 24 24 LEU HA H 1 4.120 0.05 . 1 . . . . 469 L HA . 16056 1 206 . 1 1 24 24 LEU HB2 H 1 1.574 0.05 . 2 . . . . 469 L HB1 . 16056 1 207 . 1 1 24 24 LEU HB3 H 1 1.574 0.05 . 2 . . . . 469 L HB2 . 16056 1 208 . 1 1 24 24 LEU HD11 H 1 0.882 0.05 . 2 . . . . 469 L HD11 . 16056 1 209 . 1 1 24 24 LEU HD12 H 1 0.882 0.05 . 2 . . . . 469 L HD11 . 16056 1 210 . 1 1 24 24 LEU HD13 H 1 0.882 0.05 . 2 . . . . 469 L HD11 . 16056 1 211 . 1 1 24 24 LEU HD21 H 1 0.853 0.05 . 2 . . . . 469 L HD21 . 16056 1 212 . 1 1 24 24 LEU HD22 H 1 0.853 0.05 . 2 . . . . 469 L HD21 . 16056 1 213 . 1 1 24 24 LEU HD23 H 1 0.853 0.05 . 2 . . . . 469 L HD21 . 16056 1 214 . 1 1 24 24 LEU HG H 1 1.766 0.05 . 1 . . . . 469 L HG . 16056 1 215 . 1 1 24 24 LEU CD1 C 13 25.484 0.5 . 2 . . . . 469 L CD1 . 16056 1 216 . 1 1 24 24 LEU CD2 C 13 23.506 0.5 . 2 . . . . 469 L CD2 . 16056 1 217 . 1 1 25 25 ASP H H 1 7.764 0.05 . 1 . . . . 470 D HN . 16056 1 218 . 1 1 25 25 ASP HA H 1 4.452 0.05 . 1 . . . . 470 D HA . 16056 1 219 . 1 1 25 25 ASP HB2 H 1 2.677 0.05 . 2 . . . . 470 D HB1 . 16056 1 220 . 1 1 25 25 ASP HB3 H 1 2.677 0.05 . 2 . . . . 470 D HB2 . 16056 1 221 . 1 1 25 25 ASP CB C 13 40.933 0.5 . 1 . . . . 470 D CB . 16056 1 222 . 1 1 26 26 LYS H H 1 7.981 0.05 . 1 . . . . 471 K HN . 16056 1 223 . 1 1 26 26 LYS HA H 1 4.118 0.05 . 1 . . . . 471 K HA . 16056 1 224 . 1 1 26 26 LYS HB2 H 1 1.762 0.05 . 2 . . . . 471 K HB1 . 16056 1 225 . 1 1 26 26 LYS HB3 H 1 1.735 0.05 . 2 . . . . 471 K HB2 . 16056 1 226 . 1 1 26 26 LYS HD2 H 1 1.556 0.05 . 2 . . . . 471 K HD1 . 16056 1 227 . 1 1 26 26 LYS HD3 H 1 1.556 0.05 . 2 . . . . 471 K HD2 . 16056 1 228 . 1 1 26 26 LYS HE2 H 1 2.918 0.05 . 2 . . . . 471 K HE1 . 16056 1 229 . 1 1 26 26 LYS HE3 H 1 2.831 0.05 . 2 . . . . 471 K HE2 . 16056 1 230 . 1 1 26 26 LYS HG2 H 1 1.301 0.05 . 2 . . . . 471 K HG1 . 16056 1 231 . 1 1 26 26 LYS HG3 H 1 1.301 0.05 . 2 . . . . 471 K HG2 . 16056 1 232 . 1 1 26 26 LYS HZ1 H 1 7.631 0.05 . 1 . . . . 471 K HZ1 . 16056 1 233 . 1 1 26 26 LYS HZ2 H 1 7.631 0.05 . 1 . . . . 471 K HZ1 . 16056 1 234 . 1 1 26 26 LYS HZ3 H 1 7.631 0.05 . 1 . . . . 471 K HZ1 . 16056 1 235 . 1 1 26 26 LYS CD C 13 28.507 0.5 . 1 . . . . 471 K CD . 16056 1 236 . 1 1 26 26 LYS CE C 13 42.155 0.5 . 1 . . . . 471 K CE . 16056 1 237 . 1 1 26 26 LYS CG C 13 24.589 0.5 . 1 . . . . 471 K CG . 16056 1 238 . 1 1 27 27 LYS H H 1 8.058 0.05 . 1 . . . . 472 K HN . 16056 1 239 . 1 1 27 27 LYS HA H 1 4.183 0.05 . 1 . . . . 472 K HA . 16056 1 240 . 1 1 27 27 LYS HB2 H 1 1.854 0.05 . 2 . . . . 472 K HB1 . 16056 1 241 . 1 1 27 27 LYS HB3 H 1 1.794 0.05 . 2 . . . . 472 K HB2 . 16056 1 242 . 1 1 27 27 LYS HD2 H 1 1.663 0.05 . 2 . . . . 472 K HD1 . 16056 1 243 . 1 1 27 27 LYS HD3 H 1 1.663 0.05 . 2 . . . . 472 K HD2 . 16056 1 244 . 1 1 27 27 LYS HE2 H 1 2.928 0.05 . 2 . . . . 472 K HE1 . 16056 1 245 . 1 1 27 27 LYS HE3 H 1 2.928 0.05 . 2 . . . . 472 K HE2 . 16056 1 246 . 1 1 27 27 LYS HG2 H 1 1.440 0.05 . 2 . . . . 472 K HG1 . 16056 1 247 . 1 1 27 27 LYS HG3 H 1 1.440 0.05 . 2 . . . . 472 K HG2 . 16056 1 248 . 1 1 27 27 LYS HZ1 H 1 7.749 0.05 . 1 . . . . 472 K HZ1 . 16056 1 249 . 1 1 27 27 LYS HZ2 H 1 7.749 0.05 . 1 . . . . 472 K HZ1 . 16056 1 250 . 1 1 27 27 LYS HZ3 H 1 7.749 0.05 . 1 . . . . 472 K HZ1 . 16056 1 251 . 1 1 27 27 LYS CA C 13 56.367 0.5 . 1 . . . . 472 K CA . 16056 1 252 . 1 1 27 27 LYS CD C 13 28.921 0.5 . 1 . . . . 472 K CD . 16056 1 253 . 1 1 27 27 LYS CE C 13 42.111 0.5 . 1 . . . . 472 K CE . 16056 1 254 . 1 1 27 27 LYS CG C 13 24.794 0.5 . 1 . . . . 472 K CG . 16056 1 stop_ save_