################################### # 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 34653 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _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-1H TOCSY' . . . 34653 1 2 '2D 1H-1H NOESY' . . . 34653 1 3 '2D 1H-13C HSQC' . . . 34653 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 HA2 H 1 3.817 0.022 . . . . . . A 482 GLY HA2 . 34653 1 2 . 1 . 1 1 1 GLY HA3 H 1 3.817 0.022 . . . . . . A 482 GLY HA3 . 34653 1 3 . 1 . 1 1 1 GLY CA C 13 41.955 0.000 . . . . . . A 482 GLY CA . 34653 1 4 . 1 . 1 2 2 VAL H H 1 8.056 0.003 . . . . . . A 483 VAL H . 34653 1 5 . 1 . 1 2 2 VAL HA H 1 4.076 0.005 . . . . . . A 483 VAL HA . 34653 1 6 . 1 . 1 2 2 VAL HB H 1 1.987 0.015 . . . . . . A 483 VAL HB . 34653 1 7 . 1 . 1 2 2 VAL HG11 H 1 0.849 0.013 . . . . . . A 483 VAL HG11 . 34653 1 8 . 1 . 1 2 2 VAL HG12 H 1 0.849 0.013 . . . . . . A 483 VAL HG12 . 34653 1 9 . 1 . 1 2 2 VAL HG13 H 1 0.849 0.013 . . . . . . A 483 VAL HG13 . 34653 1 10 . 1 . 1 2 2 VAL HG21 H 1 0.849 0.013 . . . . . . A 483 VAL HG21 . 34653 1 11 . 1 . 1 2 2 VAL HG22 H 1 0.849 0.013 . . . . . . A 483 VAL HG22 . 34653 1 12 . 1 . 1 2 2 VAL HG23 H 1 0.849 0.013 . . . . . . A 483 VAL HG23 . 34653 1 13 . 1 . 1 2 2 VAL CA C 13 61.440 0.000 . . . . . . A 483 VAL CA . 34653 1 14 . 1 . 1 2 2 VAL CB C 13 31.509 0.000 . . . . . . A 483 VAL CB . 34653 1 15 . 1 . 1 2 2 VAL CG2 C 13 18.785 0.000 . . . . . . A 483 VAL CG2 . 34653 1 16 . 1 . 1 3 3 LYS H H 1 7.962 0.005 . . . . . . A 484 LYS H . 34653 1 17 . 1 . 1 3 3 LYS HA H 1 4.249 0.013 . . . . . . A 484 LYS HA . 34653 1 18 . 1 . 1 3 3 LYS HB2 H 1 1.775 0.005 . . . . . . A 484 LYS HB2 . 34653 1 19 . 1 . 1 3 3 LYS HB3 H 1 1.689 0.006 . . . . . . A 484 LYS HB3 . 34653 1 20 . 1 . 1 3 3 LYS HG2 H 1 1.380 0.023 . . . . . . A 484 LYS HG2 . 34653 1 21 . 1 . 1 3 3 LYS HG3 H 1 1.353 0.007 . . . . . . A 484 LYS HG3 . 34653 1 22 . 1 . 1 3 3 LYS HD2 H 1 1.624 0.002 . . . . . . A 484 LYS HD2 . 34653 1 23 . 1 . 1 3 3 LYS HD3 H 1 1.624 0.002 . . . . . . A 484 LYS HD3 . 34653 1 24 . 1 . 1 3 3 LYS HE2 H 1 2.905 0.013 . . . . . . A 484 LYS HE2 . 34653 1 25 . 1 . 1 3 3 LYS HE3 H 1 2.905 0.013 . . . . . . A 484 LYS HE3 . 34653 1 26 . 1 . 1 3 3 LYS CA C 13 55.135 0.000 . . . . . . A 484 LYS CA . 34653 1 27 . 1 . 1 3 3 LYS CB C 13 31.519 0.021 . . . . . . A 484 LYS CB . 34653 1 28 . 1 . 1 3 3 LYS CG C 13 23.200 0.022 . . . . . . A 484 LYS CG . 34653 1 29 . 1 . 1 3 3 LYS CD C 13 27.586 0.000 . . . . . . A 484 LYS CD . 34653 1 30 . 1 . 1 3 3 LYS CE C 13 40.683 0.000 . . . . . . A 484 LYS CE . 34653 1 31 . 1 . 1 4 4 GLY H H 1 7.926 0.006 . . . . . . A 485 GLY H . 34653 1 32 . 1 . 1 4 4 GLY HA2 H 1 3.783 0.019 . . . . . . A 485 GLY HA2 . 34653 1 33 . 1 . 1 4 4 GLY HA3 H 1 3.783 0.019 . . . . . . A 485 GLY HA3 . 34653 1 34 . 1 . 1 4 4 GLY CA C 13 43.705 0.000 . . . . . . A 485 GLY CA . 34653 1 35 . 1 . 1 5 5 PHE H H 1 7.657 0.008 . . . . . . A 486 PHE H . 34653 1 36 . 1 . 1 5 5 PHE HA H 1 4.516 0.011 . . . . . . A 486 PHE HA . 34653 1 37 . 1 . 1 5 5 PHE HB2 H 1 3.012 0.020 . . . . . . A 486 PHE HB2 . 34653 1 38 . 1 . 1 5 5 PHE HB3 H 1 3.012 0.020 . . . . . . A 486 PHE HB3 . 34653 1 39 . 1 . 1 5 5 PHE HD1 H 1 7.092 0.000 . . . . . . A 486 PHE HD1 . 34653 1 40 . 1 . 1 5 5 PHE HD2 H 1 7.092 0.000 . . . . . . A 486 PHE HD2 . 34653 1 41 . 1 . 1 5 5 PHE HE1 H 1 7.183 0.000 . . . . . . A 486 PHE HE1 . 34653 1 42 . 1 . 1 5 5 PHE HE2 H 1 7.183 0.000 . . . . . . A 486 PHE HE2 . 34653 1 43 . 1 . 1 5 5 PHE CA C 13 56.487 0.000 . . . . . . A 486 PHE CA . 34653 1 44 . 1 . 1 5 5 PHE CB C 13 38.136 0.000 . . . . . . A 486 PHE CB . 34653 1 45 . 1 . 1 6 6 ASN H H 1 7.960 0.006 . . . . . . A 487 ASN H . 34653 1 46 . 1 . 1 6 6 ASN HA H 1 4.518 0.010 . . . . . . A 487 ASN HA . 34653 1 47 . 1 . 1 6 6 ASN HB2 H 1 2.614 0.003 . . . . . . A 487 ASN HB2 . 34653 1 48 . 1 . 1 6 6 ASN HB3 H 1 2.614 0.003 . . . . . . A 487 ASN HB3 . 34653 1 49 . 1 . 1 6 6 ASN CA C 13 51.930 0.000 . . . . . . A 487 ASN CA . 34653 1 50 . 1 . 1 6 6 ASN CB C 13 37.100 0.000 . . . . . . A 487 ASN CB . 34653 1 51 . 1 . 1 7 7 CYS H H 1 7.669 0.005 . . . . . . A 488 CYS H . 34653 1 52 . 1 . 1 7 7 CYS HA H 1 4.297 0.010 . . . . . . A 488 CYS HA . 34653 1 53 . 1 . 1 7 7 CYS HB2 H 1 2.745 0.004 . . . . . . A 488 CYS HB2 . 34653 1 54 . 1 . 1 7 7 CYS HB3 H 1 2.646 0.020 . . . . . . A 488 CYS HB3 . 34653 1 55 . 1 . 1 7 7 CYS CA C 13 57.066 0.000 . . . . . . A 488 CYS CA . 34653 1 56 . 1 . 1 7 7 CYS CB C 13 26.130 0.045 . . . . . . A 488 CYS CB . 34653 1 57 . 1 . 1 8 8 TYR H H 1 7.744 0.017 . . . . . . A 489 TYR H . 34653 1 58 . 1 . 1 8 8 TYR HA H 1 4.508 0.007 . . . . . . A 489 TYR HA . 34653 1 59 . 1 . 1 8 8 TYR HB2 H 1 2.967 0.013 . . . . . . A 489 TYR HB2 . 34653 1 60 . 1 . 1 8 8 TYR HB3 H 1 2.790 0.017 . . . . . . A 489 TYR HB3 . 34653 1 61 . 1 . 1 8 8 TYR HD1 H 1 5.990 0.999 . . . . . . A 489 TYR HD1 . 34653 1 62 . 1 . 1 8 8 TYR HD2 H 1 5.990 0.999 . . . . . . A 489 TYR HD2 . 34653 1 63 . 1 . 1 8 8 TYR HE1 H 1 6.964 0.013 . . . . . . A 489 TYR HE1 . 34653 1 64 . 1 . 1 8 8 TYR HE2 H 1 6.964 0.013 . . . . . . A 489 TYR HE2 . 34653 1 65 . 1 . 1 8 8 TYR CA C 13 56.481 0.000 . . . . . . A 489 TYR CA . 34653 1 66 . 1 . 1 8 8 TYR CB C 13 37.227 0.045 . . . . . . A 489 TYR CB . 34653 1 67 . 1 . 1 9 9 PHE H H 1 8.018 0.001 . . . . . . A 490 PHE H . 34653 1 68 . 1 . 1 9 9 PHE HA H 1 4.581 0.000 . . . . . . A 490 PHE HA . 34653 1 69 . 1 . 1 9 9 PHE HB2 H 1 2.747 0.013 . . . . . . A 490 PHE HB2 . 34653 1 70 . 1 . 1 9 9 PHE HB3 H 1 2.747 0.013 . . . . . . A 490 PHE HB3 . 34653 1 71 . 1 . 1 9 9 PHE CB C 13 37.213 0.000 . . . . . . A 490 PHE CB . 34653 1 72 . 1 . 1 10 10 PRO HA H 1 4.211 0.021 . . . . . . A 491 PRO HA . 34653 1 73 . 1 . 1 10 10 PRO HB2 H 1 2.188 0.011 . . . . . . A 491 PRO HB2 . 34653 1 74 . 1 . 1 10 10 PRO HB3 H 1 1.773 0.007 . . . . . . A 491 PRO HB3 . 34653 1 75 . 1 . 1 10 10 PRO HG2 H 1 1.839 0.006 . . . . . . A 491 PRO HG2 . 34653 1 76 . 1 . 1 10 10 PRO HG3 H 1 1.839 0.006 . . . . . . A 491 PRO HG3 . 34653 1 77 . 1 . 1 10 10 PRO HD2 H 1 3.550 0.016 . . . . . . A 491 PRO HD2 . 34653 1 78 . 1 . 1 10 10 PRO HD3 H 1 3.202 0.006 . . . . . . A 491 PRO HD3 . 34653 1 79 . 1 . 1 10 10 PRO CA C 13 62.952 0.000 . . . . . . A 491 PRO CA . 34653 1 80 . 1 . 1 10 10 PRO CB C 13 30.005 0.076 . . . . . . A 491 PRO CB . 34653 1 81 . 1 . 1 10 10 PRO CG C 13 25.737 0.000 . . . . . . A 491 PRO CG . 34653 1 82 . 1 . 1 10 10 PRO CD C 13 49.125 0.000 . . . . . . A 491 PRO CD . 34653 1 83 . 1 . 1 11 11 LEU H H 1 6.771 0.008 . . . . . . A 492 LEU H . 34653 1 84 . 1 . 1 11 11 LEU HA H 1 4.143 0.009 . . . . . . A 492 LEU HA . 34653 1 85 . 1 . 1 11 11 LEU HB2 H 1 1.536 0.014 . . . . . . A 492 LEU HB2 . 34653 1 86 . 1 . 1 11 11 LEU HB3 H 1 1.536 0.014 . . . . . . A 492 LEU HB3 . 34653 1 87 . 1 . 1 11 11 LEU HD11 H 1 0.842 0.008 . . . . . . A 492 LEU HD11 . 34653 1 88 . 1 . 1 11 11 LEU HD12 H 1 0.842 0.008 . . . . . . A 492 LEU HD12 . 34653 1 89 . 1 . 1 11 11 LEU HD13 H 1 0.842 0.008 . . . . . . A 492 LEU HD13 . 34653 1 90 . 1 . 1 11 11 LEU HD21 H 1 0.766 0.004 . . . . . . A 492 LEU HD21 . 34653 1 91 . 1 . 1 11 11 LEU HD22 H 1 0.766 0.004 . . . . . . A 492 LEU HD22 . 34653 1 92 . 1 . 1 11 11 LEU HD23 H 1 0.766 0.004 . . . . . . A 492 LEU HD23 . 34653 1 93 . 1 . 1 11 11 LEU CA C 13 55.087 0.000 . . . . . . A 492 LEU CA . 34653 1 94 . 1 . 1 11 11 LEU CB C 13 40.389 0.000 . . . . . . A 492 LEU CB . 34653 1 95 . 1 . 1 11 11 LEU CD1 C 13 22.437 0.000 . . . . . . A 492 LEU CD1 . 34653 1 96 . 1 . 1 11 11 LEU CD2 C 13 21.001 0.000 . . . . . . A 492 LEU CD2 . 34653 1 97 . 1 . 1 12 12 GLN H H 1 7.973 0.006 . . . . . . A 493 GLN H . 34653 1 98 . 1 . 1 12 12 GLN HA H 1 4.152 0.012 . . . . . . A 493 GLN HA . 34653 1 99 . 1 . 1 12 12 GLN HB2 H 1 2.023 0.012 . . . . . . A 493 GLN HB2 . 34653 1 100 . 1 . 1 12 12 GLN HB3 H 1 2.023 0.012 . . . . . . A 493 GLN HB3 . 34653 1 101 . 1 . 1 12 12 GLN HG2 H 1 2.294 0.015 . . . . . . A 493 GLN HG2 . 34653 1 102 . 1 . 1 12 12 GLN HG3 H 1 2.294 0.015 . . . . . . A 493 GLN HG3 . 34653 1 103 . 1 . 1 12 12 GLN CA C 13 55.769 0.000 . . . . . . A 493 GLN CA . 34653 1 104 . 1 . 1 12 12 GLN CB C 13 27.687 0.000 . . . . . . A 493 GLN CB . 34653 1 105 . 1 . 1 12 12 GLN CG C 13 32.463 0.000 . . . . . . A 493 GLN CG . 34653 1 106 . 1 . 1 13 13 SER H H 1 7.811 0.017 . . . . . . A 494 SER H . 34653 1 107 . 1 . 1 13 13 SER HA H 1 4.241 0.017 . . . . . . A 494 SER HA . 34653 1 108 . 1 . 1 13 13 SER HB2 H 1 3.789 0.014 . . . . . . A 494 SER HB2 . 34653 1 109 . 1 . 1 13 13 SER HB3 H 1 3.678 0.016 . . . . . . A 494 SER HB3 . 34653 1 110 . 1 . 1 13 13 SER CA C 13 57.762 0.000 . . . . . . A 494 SER CA . 34653 1 111 . 1 . 1 13 13 SER CB C 13 62.361 0.013 . . . . . . A 494 SER CB . 34653 1 112 . 1 . 1 14 14 TYR H H 1 7.664 0.007 . . . . . . A 495 TYR H . 34653 1 113 . 1 . 1 14 14 TYR HA H 1 4.394 0.004 . . . . . . A 495 TYR HA . 34653 1 114 . 1 . 1 14 14 TYR HB2 H 1 2.950 0.020 . . . . . . A 495 TYR HB2 . 34653 1 115 . 1 . 1 14 14 TYR HB3 H 1 2.950 0.020 . . . . . . A 495 TYR HB3 . 34653 1 116 . 1 . 1 14 14 TYR HD1 H 1 6.704 0.000 . . . . . . A 495 TYR HD1 . 34653 1 117 . 1 . 1 14 14 TYR HD2 H 1 6.704 0.000 . . . . . . A 495 TYR HD2 . 34653 1 118 . 1 . 1 14 14 TYR HE1 H 1 6.975 0.000 . . . . . . A 495 TYR HE1 . 34653 1 119 . 1 . 1 14 14 TYR HE2 H 1 6.975 0.000 . . . . . . A 495 TYR HE2 . 34653 1 120 . 1 . 1 14 14 TYR CB C 13 37.774 0.000 . . . . . . A 495 TYR CB . 34653 1 121 . 1 . 1 15 15 GLY H H 1 7.772 0.009 . . . . . . A 496 GLY H . 34653 1 122 . 1 . 1 15 15 GLY HA2 H 1 3.742 0.021 . . . . . . A 496 GLY HA2 . 34653 1 123 . 1 . 1 15 15 GLY HA3 H 1 3.742 0.021 . . . . . . A 496 GLY HA3 . 34653 1 124 . 1 . 1 15 15 GLY CA C 13 41.776 0.000 . . . . . . A 496 GLY CA . 34653 1 125 . 1 . 1 16 16 PHE H H 1 7.497 0.008 . . . . . . A 497 PHE H . 34653 1 126 . 1 . 1 16 16 PHE HA H 1 4.428 0.005 . . . . . . A 497 PHE HA . 34653 1 127 . 1 . 1 16 16 PHE HB2 H 1 2.990 0.012 . . . . . . A 497 PHE HB2 . 34653 1 128 . 1 . 1 16 16 PHE HB3 H 1 2.990 0.012 . . . . . . A 497 PHE HB3 . 34653 1 129 . 1 . 1 16 16 PHE HD1 H 1 7.099 0.000 . . . . . . A 497 PHE HD1 . 34653 1 130 . 1 . 1 16 16 PHE HD2 H 1 7.099 0.000 . . . . . . A 497 PHE HD2 . 34653 1 131 . 1 . 1 16 16 PHE HE1 H 1 7.185 0.000 . . . . . . A 497 PHE HE1 . 34653 1 132 . 1 . 1 16 16 PHE HE2 H 1 7.185 0.000 . . . . . . A 497 PHE HE2 . 34653 1 133 . 1 . 1 16 16 PHE CB C 13 38.083 0.000 . . . . . . A 497 PHE CB . 34653 1 134 . 1 . 1 17 17 GLN H H 1 7.485 0.004 . . . . . . A 498 GLN H . 34653 1 135 . 1 . 1 17 17 GLN HA H 1 4.476 0.009 . . . . . . A 498 GLN HA . 34653 1 136 . 1 . 1 17 17 GLN HB2 H 1 1.956 0.009 . . . . . . A 498 GLN HB2 . 34653 1 137 . 1 . 1 17 17 GLN HB3 H 1 1.753 0.005 . . . . . . A 498 GLN HB3 . 34653 1 138 . 1 . 1 17 17 GLN HG2 H 1 2.239 0.013 . . . . . . A 498 GLN HG2 . 34653 1 139 . 1 . 1 17 17 GLN HG3 H 1 2.239 0.013 . . . . . . A 498 GLN HG3 . 34653 1 140 . 1 . 1 17 17 GLN CB C 13 27.913 0.026 . . . . . . A 498 GLN CB . 34653 1 141 . 1 . 1 17 17 GLN CG C 13 32.278 0.000 . . . . . . A 498 GLN CG . 34653 1 142 . 1 . 1 18 18 PRO HA H 1 4.242 0.017 . . . . . . A 499 PRO HA . 34653 1 143 . 1 . 1 18 18 PRO HB2 H 1 2.126 0.010 . . . . . . A 499 PRO HB2 . 34653 1 144 . 1 . 1 18 18 PRO HB3 H 1 1.816 0.010 . . . . . . A 499 PRO HB3 . 34653 1 145 . 1 . 1 18 18 PRO HG2 H 1 1.906 0.001 . . . . . . A 499 PRO HG2 . 34653 1 146 . 1 . 1 18 18 PRO HG3 H 1 1.906 0.001 . . . . . . A 499 PRO HG3 . 34653 1 147 . 1 . 1 18 18 PRO HD3 H 1 3.475 0.007 . . . . . . A 499 PRO HD3 . 34653 1 148 . 1 . 1 18 18 PRO CA C 13 62.346 0.000 . . . . . . A 499 PRO CA . 34653 1 149 . 1 . 1 18 18 PRO CB C 13 30.019 0.020 . . . . . . A 499 PRO CB . 34653 1 150 . 1 . 1 18 18 PRO CG C 13 25.508 0.000 . . . . . . A 499 PRO CG . 34653 1 151 . 1 . 1 18 18 PRO CD C 13 48.892 0.000 . . . . . . A 499 PRO CD . 34653 1 152 . 1 . 1 19 19 THR H H 1 7.408 0.006 . . . . . . A 500 THR H . 34653 1 153 . 1 . 1 19 19 THR HA H 1 4.159 0.011 . . . . . . A 500 THR HA . 34653 1 154 . 1 . 1 19 19 THR HB H 1 4.109 0.026 . . . . . . A 500 THR HB . 34653 1 155 . 1 . 1 19 19 THR HG21 H 1 1.051 0.012 . . . . . . A 500 THR HG21 . 34653 1 156 . 1 . 1 19 19 THR HG22 H 1 1.051 0.012 . . . . . . A 500 THR HG22 . 34653 1 157 . 1 . 1 19 19 THR HG23 H 1 1.051 0.012 . . . . . . A 500 THR HG23 . 34653 1 158 . 1 . 1 19 19 THR CA C 13 60.288 0.000 . . . . . . A 500 THR CA . 34653 1 159 . 1 . 1 19 19 THR CB C 13 68.240 0.000 . . . . . . A 500 THR CB . 34653 1 160 . 1 . 1 19 19 THR CG2 C 13 19.413 0.000 . . . . . . A 500 THR CG2 . 34653 1 161 . 1 . 1 20 20 TYR H H 1 7.604 0.004 . . . . . . A 501 TYR H . 34653 1 162 . 1 . 1 20 20 TYR HA H 1 4.384 0.007 . . . . . . A 501 TYR HA . 34653 1 163 . 1 . 1 20 20 TYR HB2 H 1 2.967 0.005 . . . . . . A 501 TYR HB2 . 34653 1 164 . 1 . 1 20 20 TYR HB3 H 1 2.897 0.011 . . . . . . A 501 TYR HB3 . 34653 1 165 . 1 . 1 20 20 TYR HD1 H 1 6.701 0.001 . . . . . . A 501 TYR HD1 . 34653 1 166 . 1 . 1 20 20 TYR HD2 H 1 6.701 0.001 . . . . . . A 501 TYR HD2 . 34653 1 167 . 1 . 1 20 20 TYR HE1 H 1 6.970 0.007 . . . . . . A 501 TYR HE1 . 34653 1 168 . 1 . 1 20 20 TYR HE2 H 1 6.970 0.007 . . . . . . A 501 TYR HE2 . 34653 1 169 . 1 . 1 20 20 TYR CB C 13 37.160 0.001 . . . . . . A 501 TYR CB . 34653 1 170 . 1 . 1 21 21 GLY H H 1 7.774 0.001 . . . . . . A 502 GLY H . 34653 1 171 . 1 . 1 21 21 GLY HA2 H 1 3.860 0.003 . . . . . . A 502 GLY HA2 . 34653 1 172 . 1 . 1 21 21 GLY HA3 H 1 3.860 0.003 . . . . . . A 502 GLY HA3 . 34653 1 173 . 1 . 1 21 21 GLY CA C 13 43.661 0.000 . . . . . . A 502 GLY CA . 34653 1 174 . 1 . 1 22 22 VAL H H 1 7.472 0.004 . . . . . . A 503 VAL H . 34653 1 175 . 1 . 1 22 22 VAL HA H 1 3.964 0.012 . . . . . . A 503 VAL HA . 34653 1 176 . 1 . 1 22 22 VAL HB H 1 2.005 0.009 . . . . . . A 503 VAL HB . 34653 1 177 . 1 . 1 22 22 VAL HG11 H 1 0.849 0.015 . . . . . . A 503 VAL HG11 . 34653 1 178 . 1 . 1 22 22 VAL HG12 H 1 0.849 0.015 . . . . . . A 503 VAL HG12 . 34653 1 179 . 1 . 1 22 22 VAL HG13 H 1 0.849 0.015 . . . . . . A 503 VAL HG13 . 34653 1 180 . 1 . 1 22 22 VAL HG21 H 1 0.849 0.015 . . . . . . A 503 VAL HG21 . 34653 1 181 . 1 . 1 22 22 VAL HG22 H 1 0.849 0.015 . . . . . . A 503 VAL HG22 . 34653 1 182 . 1 . 1 22 22 VAL HG23 H 1 0.849 0.015 . . . . . . A 503 VAL HG23 . 34653 1 183 . 1 . 1 22 22 VAL CA C 13 61.659 0.000 . . . . . . A 503 VAL CA . 34653 1 184 . 1 . 1 22 22 VAL CB C 13 31.073 0.000 . . . . . . A 503 VAL CB . 34653 1 185 . 1 . 1 22 22 VAL CG2 C 13 18.377 0.000 . . . . . . A 503 VAL CG2 . 34653 1 186 . 1 . 1 23 23 GLY H H 1 7.931 0.002 . . . . . . A 504 GLY H . 34653 1 187 . 1 . 1 23 23 GLY HA2 H 1 3.891 0.024 . . . . . . A 504 GLY HA2 . 34653 1 188 . 1 . 1 23 23 GLY HA3 H 1 3.713 0.005 . . . . . . A 504 GLY HA3 . 34653 1 189 . 1 . 1 23 23 GLY CA C 13 43.710 0.045 . . . . . . A 504 GLY CA . 34653 1 190 . 1 . 1 24 24 TYR H H 1 7.511 0.009 . . . . . . A 505 TYR H . 34653 1 191 . 1 . 1 24 24 TYR HA H 1 4.498 0.017 . . . . . . A 505 TYR HA . 34653 1 192 . 1 . 1 24 24 TYR HB2 H 1 2.891 0.007 . . . . . . A 505 TYR HB2 . 34653 1 193 . 1 . 1 24 24 TYR HB3 H 1 2.891 0.007 . . . . . . A 505 TYR HB3 . 34653 1 194 . 1 . 1 24 24 TYR HD1 H 1 6.708 0.000 . . . . . . A 505 TYR HD1 . 34653 1 195 . 1 . 1 24 24 TYR HD2 H 1 6.708 0.000 . . . . . . A 505 TYR HD2 . 34653 1 196 . 1 . 1 24 24 TYR HE1 H 1 6.954 0.000 . . . . . . A 505 TYR HE1 . 34653 1 197 . 1 . 1 24 24 TYR HE2 H 1 6.954 0.000 . . . . . . A 505 TYR HE2 . 34653 1 198 . 1 . 1 24 24 TYR CB C 13 37.184 0.000 . . . . . . A 505 TYR CB . 34653 1 199 . 1 . 1 25 25 GLN H H 1 7.696 0.016 . . . . . . A 506 GLN H . 34653 1 200 . 1 . 1 25 25 GLN HA H 1 4.242 0.010 . . . . . . A 506 GLN HA . 34653 1 201 . 1 . 1 25 25 GLN HB2 H 1 2.063 0.010 . . . . . . A 506 GLN HB2 . 34653 1 202 . 1 . 1 25 25 GLN HB3 H 1 1.880 0.009 . . . . . . A 506 GLN HB3 . 34653 1 203 . 1 . 1 25 25 GLN HG2 H 1 2.217 0.019 . . . . . . A 506 GLN HG2 . 34653 1 204 . 1 . 1 25 25 GLN HG3 H 1 2.217 0.019 . . . . . . A 506 GLN HG3 . 34653 1 205 . 1 . 1 25 25 GLN CA C 13 53.784 0.000 . . . . . . A 506 GLN CA . 34653 1 206 . 1 . 1 25 25 GLN CB C 13 27.941 0.074 . . . . . . A 506 GLN CB . 34653 1 207 . 1 . 1 25 25 GLN CG C 13 31.953 0.000 . . . . . . A 506 GLN CG . 34653 1 stop_ save_