################################### # 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 34652 _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' . . . 34652 1 2 '2D 1H-1H NOESY' . . . 34652 1 3 '2D 1H-13C HSQC' . . . 34652 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 3.821 0.013 . . . . . . A 482 GLY HA2 . 34652 1 2 . 1 . 1 1 1 GLY HA3 H 1 3.821 0.013 . . . . . . A 482 GLY HA3 . 34652 1 3 . 1 . 1 1 1 GLY CA C 13 41.873 0.000 . . . . . . A 482 GLY CA . 34652 1 4 . 1 . 1 2 2 VAL H H 1 8.060 0.003 . . . . . . A 483 VAL H . 34652 1 5 . 1 . 1 2 2 VAL HA H 1 4.024 0.006 . . . . . . A 483 VAL HA . 34652 1 6 . 1 . 1 2 2 VAL HB H 1 1.980 0.010 . . . . . . A 483 VAL HB . 34652 1 7 . 1 . 1 2 2 VAL HG21 H 1 0.815 0.015 . . . . . . A 483 VAL HG21 . 34652 1 8 . 1 . 1 2 2 VAL HG22 H 1 0.815 0.015 . . . . . . A 483 VAL HG22 . 34652 1 9 . 1 . 1 2 2 VAL HG23 H 1 0.815 0.015 . . . . . . A 483 VAL HG23 . 34652 1 10 . 1 . 1 2 2 VAL CA C 13 61.396 0.000 . . . . . . A 483 VAL CA . 34652 1 11 . 1 . 1 2 2 VAL CB C 13 30.827 0.000 . . . . . . A 483 VAL CB . 34652 1 12 . 1 . 1 2 2 VAL CG2 C 13 18.775 0.000 . . . . . . A 483 VAL CG2 . 34652 1 13 . 1 . 1 3 3 GLU H H 1 8.069 0.006 . . . . . . A 484 GLU H . 34652 1 14 . 1 . 1 3 3 GLU HA H 1 4.307 0.012 . . . . . . A 484 GLU HA . 34652 1 15 . 1 . 1 3 3 GLU HB2 H 1 2.012 0.009 . . . . . . A 484 GLU HB2 . 34652 1 16 . 1 . 1 3 3 GLU HB3 H 1 1.889 0.008 . . . . . . A 484 GLU HB3 . 34652 1 17 . 1 . 1 3 3 GLU HG2 H 1 2.357 0.010 . . . . . . A 484 GLU HG2 . 34652 1 18 . 1 . 1 3 3 GLU HG3 H 1 2.357 0.010 . . . . . . A 484 GLU HG3 . 34652 1 19 . 1 . 1 3 3 GLU CA C 13 54.457 0.000 . . . . . . A 484 GLU CA . 34652 1 20 . 1 . 1 3 3 GLU CB C 13 27.353 0.032 . . . . . . A 484 GLU CB . 34652 1 21 . 1 . 1 3 3 GLU CG C 13 30.859 0.000 . . . . . . A 484 GLU CG . 34652 1 22 . 1 . 1 4 4 GLY H H 1 7.929 0.004 . . . . . . A 485 GLY H . 34652 1 23 . 1 . 1 4 4 GLY HA2 H 1 3.776 0.002 . . . . . . A 485 GLY HA2 . 34652 1 24 . 1 . 1 4 4 GLY HA3 H 1 3.776 0.002 . . . . . . A 485 GLY HA3 . 34652 1 25 . 1 . 1 4 4 GLY CA C 13 43.575 0.000 . . . . . . A 485 GLY CA . 34652 1 26 . 1 . 1 5 5 PHE H H 1 7.609 0.002 . . . . . . A 486 PHE H . 34652 1 27 . 1 . 1 5 5 PHE HA H 1 4.446 0.007 . . . . . . A 486 PHE HA . 34652 1 28 . 1 . 1 5 5 PHE HB2 H 1 2.982 0.013 . . . . . . A 486 PHE HB2 . 34652 1 29 . 1 . 1 5 5 PHE HB3 H 1 2.982 0.013 . . . . . . A 486 PHE HB3 . 34652 1 30 . 1 . 1 5 5 PHE HD1 H 1 7.078 0.000 . . . . . . A 486 PHE HD1 . 34652 1 31 . 1 . 1 5 5 PHE HD2 H 1 7.078 0.000 . . . . . . A 486 PHE HD2 . 34652 1 32 . 1 . 1 5 5 PHE HE1 H 1 7.165 0.000 . . . . . . A 486 PHE HE1 . 34652 1 33 . 1 . 1 5 5 PHE HE2 H 1 7.165 0.000 . . . . . . A 486 PHE HE2 . 34652 1 34 . 1 . 1 5 5 PHE CA C 13 56.549 0.000 . . . . . . A 486 PHE CA . 34652 1 35 . 1 . 1 5 5 PHE CB C 13 37.256 0.000 . . . . . . A 486 PHE CB . 34652 1 36 . 1 . 1 6 6 ASN H H 1 7.892 0.006 . . . . . . A 487 ASN H . 34652 1 37 . 1 . 1 6 6 ASN HA H 1 4.499 0.003 . . . . . . A 487 ASN HA . 34652 1 38 . 1 . 1 6 6 ASN HB2 H 1 2.599 0.012 . . . . . . A 487 ASN HB2 . 34652 1 39 . 1 . 1 6 6 ASN HB3 H 1 2.599 0.012 . . . . . . A 487 ASN HB3 . 34652 1 40 . 1 . 1 6 6 ASN CA C 13 51.789 0.000 . . . . . . A 487 ASN CA . 34652 1 41 . 1 . 1 6 6 ASN CB C 13 37.004 0.000 . . . . . . A 487 ASN CB . 34652 1 42 . 1 . 1 7 7 CYS H H 1 7.632 0.008 . . . . . . A 488 CYS H . 34652 1 43 . 1 . 1 7 7 CYS HA H 1 4.268 0.010 . . . . . . A 488 CYS HA . 34652 1 44 . 1 . 1 7 7 CYS HB2 H 1 2.718 0.011 . . . . . . A 488 CYS HB2 . 34652 1 45 . 1 . 1 7 7 CYS HB3 H 1 2.618 0.005 . . . . . . A 488 CYS HB3 . 34652 1 46 . 1 . 1 7 7 CYS CA C 13 57.000 0.000 . . . . . . A 488 CYS CA . 34652 1 47 . 1 . 1 7 7 CYS CB C 13 26.024 0.025 . . . . . . A 488 CYS CB . 34652 1 48 . 1 . 1 8 8 TYR H H 1 7.705 0.011 . . . . . . A 489 TYR H . 34652 1 49 . 1 . 1 8 8 TYR HA H 1 4.487 0.010 . . . . . . A 489 TYR HA . 34652 1 50 . 1 . 1 8 8 TYR HB2 H 1 2.901 0.028 . . . . . . A 489 TYR HB2 . 34652 1 51 . 1 . 1 8 8 TYR HB3 H 1 2.781 0.014 . . . . . . A 489 TYR HB3 . 34652 1 52 . 1 . 1 8 8 TYR HD1 H 1 6.688 0.004 . . . . . . A 489 TYR HD1 . 34652 1 53 . 1 . 1 8 8 TYR HD2 H 1 6.688 0.004 . . . . . . A 489 TYR HD2 . 34652 1 54 . 1 . 1 8 8 TYR HE1 H 1 6.938 0.008 . . . . . . A 489 TYR HE1 . 34652 1 55 . 1 . 1 8 8 TYR HE2 H 1 6.938 0.008 . . . . . . A 489 TYR HE2 . 34652 1 56 . 1 . 1 8 8 TYR CA C 13 56.422 0.000 . . . . . . A 489 TYR CA . 34652 1 57 . 1 . 1 8 8 TYR CB C 13 37.122 0.071 . . . . . . A 489 TYR CB . 34652 1 58 . 1 . 1 9 9 PHE H H 1 7.971 0.004 . . . . . . A 490 PHE H . 34652 1 59 . 1 . 1 9 9 PHE HA H 1 4.563 0.004 . . . . . . A 490 PHE HA . 34652 1 60 . 1 . 1 9 9 PHE HB2 H 1 2.654 0.005 . . . . . . A 490 PHE HB2 . 34652 1 61 . 1 . 1 9 9 PHE HB3 H 1 2.654 0.005 . . . . . . A 490 PHE HB3 . 34652 1 62 . 1 . 1 9 9 PHE CB C 13 36.944 0.000 . . . . . . A 490 PHE CB . 34652 1 63 . 1 . 1 10 10 PRO HA H 1 4.195 0.008 . . . . . . A 491 PRO HA . 34652 1 64 . 1 . 1 10 10 PRO HB2 H 1 2.167 0.009 . . . . . . A 491 PRO HB2 . 34652 1 65 . 1 . 1 10 10 PRO HB3 H 1 1.739 0.019 . . . . . . A 491 PRO HB3 . 34652 1 66 . 1 . 1 10 10 PRO HG2 H 1 1.820 0.019 . . . . . . A 491 PRO HG2 . 34652 1 67 . 1 . 1 10 10 PRO HG3 H 1 1.820 0.019 . . . . . . A 491 PRO HG3 . 34652 1 68 . 1 . 1 10 10 PRO HD2 H 1 3.548 0.009 . . . . . . A 491 PRO HD2 . 34652 1 69 . 1 . 1 10 10 PRO HD3 H 1 3.183 0.007 . . . . . . A 491 PRO HD3 . 34652 1 70 . 1 . 1 10 10 PRO CA C 13 63.018 0.000 . . . . . . A 491 PRO CA . 34652 1 71 . 1 . 1 10 10 PRO CB C 13 29.803 0.027 . . . . . . A 491 PRO CB . 34652 1 72 . 1 . 1 10 10 PRO CG C 13 25.529 0.000 . . . . . . A 491 PRO CG . 34652 1 73 . 1 . 1 10 10 PRO CD C 13 48.860 0.000 . . . . . . A 491 PRO CD . 34652 1 74 . 1 . 1 11 11 LEU H H 1 6.779 0.005 . . . . . . A 492 LEU H . 34652 1 75 . 1 . 1 11 11 LEU HA H 1 4.107 0.007 . . . . . . A 492 LEU HA . 34652 1 76 . 1 . 1 11 11 LEU HB2 H 1 1.511 0.011 . . . . . . A 492 LEU HB2 . 34652 1 77 . 1 . 1 11 11 LEU HB3 H 1 1.511 0.011 . . . . . . A 492 LEU HB3 . 34652 1 78 . 1 . 1 11 11 LEU HD11 H 1 0.803 0.010 . . . . . . A 492 LEU HD11 . 34652 1 79 . 1 . 1 11 11 LEU HD12 H 1 0.803 0.010 . . . . . . A 492 LEU HD12 . 34652 1 80 . 1 . 1 11 11 LEU HD13 H 1 0.803 0.010 . . . . . . A 492 LEU HD13 . 34652 1 81 . 1 . 1 11 11 LEU HD21 H 1 0.729 0.009 . . . . . . A 492 LEU HD21 . 34652 1 82 . 1 . 1 11 11 LEU HD22 H 1 0.729 0.009 . . . . . . A 492 LEU HD22 . 34652 1 83 . 1 . 1 11 11 LEU HD23 H 1 0.729 0.009 . . . . . . A 492 LEU HD23 . 34652 1 84 . 1 . 1 11 11 LEU CA C 13 54.882 0.000 . . . . . . A 492 LEU CA . 34652 1 85 . 1 . 1 11 11 LEU CB C 13 40.226 0.000 . . . . . . A 492 LEU CB . 34652 1 86 . 1 . 1 11 11 LEU CD1 C 13 22.311 0.000 . . . . . . A 492 LEU CD1 . 34652 1 87 . 1 . 1 11 11 LEU CD2 C 13 20.803 0.000 . . . . . . A 492 LEU CD2 . 34652 1 88 . 1 . 1 12 12 GLN H H 1 7.932 0.005 . . . . . . A 493 GLN H . 34652 1 89 . 1 . 1 12 12 GLN HA H 1 4.117 0.012 . . . . . . A 493 GLN HA . 34652 1 90 . 1 . 1 12 12 GLN HB2 H 1 2.006 0.010 . . . . . . A 493 GLN HB2 . 34652 1 91 . 1 . 1 12 12 GLN HB3 H 1 2.006 0.010 . . . . . . A 493 GLN HB3 . 34652 1 92 . 1 . 1 12 12 GLN HG2 H 1 2.261 0.006 . . . . . . A 493 GLN HG2 . 34652 1 93 . 1 . 1 12 12 GLN HG3 H 1 2.261 0.006 . . . . . . A 493 GLN HG3 . 34652 1 94 . 1 . 1 12 12 GLN CA C 13 55.628 0.000 . . . . . . A 493 GLN CA . 34652 1 95 . 1 . 1 12 12 GLN CB C 13 27.221 0.000 . . . . . . A 493 GLN CB . 34652 1 96 . 1 . 1 12 12 GLN CG C 13 32.268 0.000 . . . . . . A 493 GLN CG . 34652 1 97 . 1 . 1 13 13 SER H H 1 7.781 0.014 . . . . . . A 494 SER H . 34652 1 98 . 1 . 1 13 13 SER HA H 1 4.208 0.019 . . . . . . A 494 SER HA . 34652 1 99 . 1 . 1 13 13 SER HB2 H 1 3.753 0.004 . . . . . . A 494 SER HB2 . 34652 1 100 . 1 . 1 13 13 SER HB3 H 1 3.635 0.009 . . . . . . A 494 SER HB3 . 34652 1 101 . 1 . 1 13 13 SER CA C 13 57.583 0.000 . . . . . . A 494 SER CA . 34652 1 102 . 1 . 1 13 13 SER CB C 13 62.147 0.023 . . . . . . A 494 SER CB . 34652 1 103 . 1 . 1 14 14 TYR H H 1 7.618 0.006 . . . . . . A 495 TYR H . 34652 1 104 . 1 . 1 14 14 TYR HA H 1 4.343 0.011 . . . . . . A 495 TYR HA . 34652 1 105 . 1 . 1 14 14 TYR HB2 H 1 2.939 0.008 . . . . . . A 495 TYR HB2 . 34652 1 106 . 1 . 1 14 14 TYR HB3 H 1 2.939 0.008 . . . . . . A 495 TYR HB3 . 34652 1 107 . 1 . 1 14 14 TYR HD1 H 1 6.697 0.000 . . . . . . A 495 TYR HD1 . 34652 1 108 . 1 . 1 14 14 TYR HD2 H 1 6.697 0.000 . . . . . . A 495 TYR HD2 . 34652 1 109 . 1 . 1 14 14 TYR HE1 H 1 6.945 0.000 . . . . . . A 495 TYR HE1 . 34652 1 110 . 1 . 1 14 14 TYR HE2 H 1 6.945 0.000 . . . . . . A 495 TYR HE2 . 34652 1 111 . 1 . 1 14 14 TYR CB C 13 37.281 0.000 . . . . . . A 495 TYR CB . 34652 1 112 . 1 . 1 15 15 GLY H H 1 7.749 0.007 . . . . . . A 496 GLY H . 34652 1 113 . 1 . 1 15 15 GLY HA2 H 1 3.704 0.019 . . . . . . A 496 GLY HA2 . 34652 1 114 . 1 . 1 15 15 GLY HA3 H 1 3.704 0.019 . . . . . . A 496 GLY HA3 . 34652 1 115 . 1 . 1 15 15 GLY CA C 13 41.732 0.000 . . . . . . A 496 GLY CA . 34652 1 116 . 1 . 1 16 16 PHE H H 1 7.477 0.007 . . . . . . A 497 PHE H . 34652 1 117 . 1 . 1 16 16 PHE HA H 1 4.410 0.004 . . . . . . A 497 PHE HA . 34652 1 118 . 1 . 1 16 16 PHE HB2 H 1 2.949 0.006 . . . . . . A 497 PHE HB2 . 34652 1 119 . 1 . 1 16 16 PHE HB3 H 1 2.949 0.006 . . . . . . A 497 PHE HB3 . 34652 1 120 . 1 . 1 16 16 PHE HD1 H 1 7.073 0.000 . . . . . . A 497 PHE HD1 . 34652 1 121 . 1 . 1 16 16 PHE HD2 H 1 7.073 0.000 . . . . . . A 497 PHE HD2 . 34652 1 122 . 1 . 1 16 16 PHE HE1 H 1 7.167 0.000 . . . . . . A 497 PHE HE1 . 34652 1 123 . 1 . 1 16 16 PHE HE2 H 1 7.167 0.000 . . . . . . A 497 PHE HE2 . 34652 1 124 . 1 . 1 16 16 PHE CB C 13 37.832 0.000 . . . . . . A 497 PHE CB . 34652 1 125 . 1 . 1 17 17 GLN H H 1 7.446 0.007 . . . . . . A 498 GLN H . 34652 1 126 . 1 . 1 17 17 GLN HA H 1 4.443 0.007 . . . . . . A 498 GLN HA . 34652 1 127 . 1 . 1 17 17 GLN HB2 H 1 1.914 0.028 . . . . . . A 498 GLN HB2 . 34652 1 128 . 1 . 1 17 17 GLN HB3 H 1 1.718 0.007 . . . . . . A 498 GLN HB3 . 34652 1 129 . 1 . 1 17 17 GLN HG2 H 1 2.177 0.007 . . . . . . A 498 GLN HG2 . 34652 1 130 . 1 . 1 17 17 GLN HG3 H 1 2.177 0.007 . . . . . . A 498 GLN HG3 . 34652 1 131 . 1 . 1 17 17 GLN CB C 13 27.831 0.064 . . . . . . A 498 GLN CB . 34652 1 132 . 1 . 1 17 17 GLN CG C 13 31.663 0.000 . . . . . . A 498 GLN CG . 34652 1 133 . 1 . 1 18 18 PRO HA H 1 4.213 0.005 . . . . . . A 499 PRO HA . 34652 1 134 . 1 . 1 18 18 PRO HB2 H 1 2.104 0.027 . . . . . . A 499 PRO HB2 . 34652 1 135 . 1 . 1 18 18 PRO HB3 H 1 1.777 0.006 . . . . . . A 499 PRO HB3 . 34652 1 136 . 1 . 1 18 18 PRO HG2 H 1 1.869 0.007 . . . . . . A 499 PRO HG2 . 34652 1 137 . 1 . 1 18 18 PRO HG3 H 1 1.869 0.007 . . . . . . A 499 PRO HG3 . 34652 1 138 . 1 . 1 18 18 PRO HD2 H 1 3.458 0.007 . . . . . . A 499 PRO HD2 . 34652 1 139 . 1 . 1 18 18 PRO HD3 H 1 3.458 0.007 . . . . . . A 499 PRO HD3 . 34652 1 140 . 1 . 1 18 18 PRO CA C 13 62.304 0.000 . . . . . . A 499 PRO CA . 34652 1 141 . 1 . 1 18 18 PRO CB C 13 29.846 0.005 . . . . . . A 499 PRO CB . 34652 1 142 . 1 . 1 18 18 PRO CG C 13 25.417 0.000 . . . . . . A 499 PRO CG . 34652 1 143 . 1 . 1 18 18 PRO CD C 13 48.786 0.000 . . . . . . A 499 PRO CD . 34652 1 144 . 1 . 1 19 19 THR H H 1 7.378 0.003 . . . . . . A 500 THR H . 34652 1 145 . 1 . 1 19 19 THR HA H 1 4.103 0.004 . . . . . . A 500 THR HA . 34652 1 146 . 1 . 1 19 19 THR HB H 1 4.104 0.008 . . . . . . A 500 THR HB . 34652 1 147 . 1 . 1 19 19 THR HG21 H 1 1.027 0.006 . . . . . . A 500 THR HG21 . 34652 1 148 . 1 . 1 19 19 THR HG22 H 1 1.027 0.006 . . . . . . A 500 THR HG22 . 34652 1 149 . 1 . 1 19 19 THR HG23 H 1 1.027 0.006 . . . . . . A 500 THR HG23 . 34652 1 150 . 1 . 1 19 19 THR CA C 13 60.236 0.000 . . . . . . A 500 THR CA . 34652 1 151 . 1 . 1 19 19 THR CB C 13 68.095 0.000 . . . . . . A 500 THR CB . 34652 1 152 . 1 . 1 19 19 THR CG2 C 13 19.275 0.000 . . . . . . A 500 THR CG2 . 34652 1 153 . 1 . 1 20 20 TYR H H 1 7.575 0.006 . . . . . . A 501 TYR H . 34652 1 154 . 1 . 1 20 20 TYR HA H 1 4.364 0.006 . . . . . . A 501 TYR HA . 34652 1 155 . 1 . 1 20 20 TYR HB2 H 1 2.957 0.014 . . . . . . A 501 TYR HB2 . 34652 1 156 . 1 . 1 20 20 TYR HB3 H 1 2.867 0.011 . . . . . . A 501 TYR HB3 . 34652 1 157 . 1 . 1 20 20 TYR HD1 H 1 6.701 0.004 . . . . . . A 501 TYR HD1 . 34652 1 158 . 1 . 1 20 20 TYR HD2 H 1 6.701 0.004 . . . . . . A 501 TYR HD2 . 34652 1 159 . 1 . 1 20 20 TYR HE1 H 1 6.941 0.002 . . . . . . A 501 TYR HE1 . 34652 1 160 . 1 . 1 20 20 TYR HE2 H 1 6.941 0.002 . . . . . . A 501 TYR HE2 . 34652 1 161 . 1 . 1 20 20 TYR CB C 13 37.006 0.010 . . . . . . A 501 TYR CB . 34652 1 162 . 1 . 1 21 21 GLY H H 1 7.748 0.015 . . . . . . A 502 GLY H . 34652 1 163 . 1 . 1 21 21 GLY HA2 H 1 3.839 0.024 . . . . . . A 502 GLY HA2 . 34652 1 164 . 1 . 1 21 21 GLY HA3 H 1 3.839 0.024 . . . . . . A 502 GLY HA3 . 34652 1 165 . 1 . 1 21 21 GLY CA C 13 43.560 0.000 . . . . . . A 502 GLY CA . 34652 1 166 . 1 . 1 22 22 VAL H H 1 7.436 0.005 . . . . . . A 503 VAL H . 34652 1 167 . 1 . 1 22 22 VAL HA H 1 3.942 0.009 . . . . . . A 503 VAL HA . 34652 1 168 . 1 . 1 22 22 VAL HB H 1 1.976 0.008 . . . . . . A 503 VAL HB . 34652 1 169 . 1 . 1 22 22 VAL HG21 H 1 0.818 0.013 . . . . . . A 503 VAL HG21 . 34652 1 170 . 1 . 1 22 22 VAL HG22 H 1 0.818 0.013 . . . . . . A 503 VAL HG22 . 34652 1 171 . 1 . 1 22 22 VAL HG23 H 1 0.818 0.013 . . . . . . A 503 VAL HG23 . 34652 1 172 . 1 . 1 22 22 VAL CA C 13 61.553 0.000 . . . . . . A 503 VAL CA . 34652 1 173 . 1 . 1 22 22 VAL CB C 13 31.075 0.000 . . . . . . A 503 VAL CB . 34652 1 174 . 1 . 1 22 22 VAL CG2 C 13 18.419 0.000 . . . . . . A 503 VAL CG2 . 34652 1 175 . 1 . 1 23 23 GLY H H 1 7.916 0.008 . . . . . . A 504 GLY H . 34652 1 176 . 1 . 1 23 23 GLY HA2 H 1 3.876 0.004 . . . . . . A 504 GLY HA2 . 34652 1 177 . 1 . 1 23 23 GLY HA3 H 1 3.676 0.006 . . . . . . A 504 GLY HA3 . 34652 1 178 . 1 . 1 23 23 GLY CA C 13 43.597 0.043 . . . . . . A 504 GLY CA . 34652 1 179 . 1 . 1 24 24 TYR H H 1 7.493 0.005 . . . . . . A 505 TYR H . 34652 1 180 . 1 . 1 24 24 TYR HA H 1 4.439 0.009 . . . . . . A 505 TYR HA . 34652 1 181 . 1 . 1 24 24 TYR HB2 H 1 2.881 0.011 . . . . . . A 505 TYR HB2 . 34652 1 182 . 1 . 1 24 24 TYR HB3 H 1 2.881 0.011 . . . . . . A 505 TYR HB3 . 34652 1 183 . 1 . 1 24 24 TYR HD1 H 1 6.691 0.000 . . . . . . A 505 TYR HD1 . 34652 1 184 . 1 . 1 24 24 TYR HD2 H 1 6.691 0.000 . . . . . . A 505 TYR HD2 . 34652 1 185 . 1 . 1 24 24 TYR HE1 H 1 6.946 0.000 . . . . . . A 505 TYR HE1 . 34652 1 186 . 1 . 1 24 24 TYR HE2 H 1 6.946 0.000 . . . . . . A 505 TYR HE2 . 34652 1 187 . 1 . 1 24 24 TYR CB C 13 37.386 0.000 . . . . . . A 505 TYR CB . 34652 1 188 . 1 . 1 25 25 GLN H H 1 7.709 0.007 . . . . . . A 506 GLN H . 34652 1 189 . 1 . 1 25 25 GLN HA H 1 4.237 0.005 . . . . . . A 506 GLN HA . 34652 1 190 . 1 . 1 25 25 GLN HB2 H 1 2.017 0.014 . . . . . . A 506 GLN HB2 . 34652 1 191 . 1 . 1 25 25 GLN HB3 H 1 1.851 0.008 . . . . . . A 506 GLN HB3 . 34652 1 192 . 1 . 1 25 25 GLN HG2 H 1 2.173 0.010 . . . . . . A 506 GLN HG2 . 34652 1 193 . 1 . 1 25 25 GLN HG3 H 1 2.173 0.010 . . . . . . A 506 GLN HG3 . 34652 1 194 . 1 . 1 25 25 GLN CA C 13 53.303 0.000 . . . . . . A 506 GLN CA . 34652 1 195 . 1 . 1 25 25 GLN CB C 13 27.632 0.008 . . . . . . A 506 GLN CB . 34652 1 196 . 1 . 1 25 25 GLN CG C 13 32.019 0.000 . . . . . . A 506 GLN CG . 34652 1 stop_ save_