################################### # 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 30124 _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 $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 NOESY' . . . 30124 1 2 '2D 1H-1H TOCSY' . . . 30124 1 3 '2D 1H-15N HSQC' . . . 30124 1 4 '2D 1H-13C HSQC' . . . 30124 1 5 '2D DQF-COSY' . . . 30124 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 1 1 GLN HA H 1 3.801 0.000 . . . . . A 1 GLN HA . 30124 1 2 . 1 1 1 1 GLN HB2 H 1 1.646 0.001 . . . . . A 1 GLN HB2 . 30124 1 3 . 1 1 1 1 GLN HB3 H 1 1.535 0.000 . . . . . A 1 GLN HB3 . 30124 1 4 . 1 1 1 1 GLN HG3 H 1 2.067 0.000 . . . . . A 1 GLN HG3 . 30124 1 5 . 1 1 1 1 GLN HE21 H 1 6.910 0.000 . . . . . A 1 GLN HE21 . 30124 1 6 . 1 1 1 1 GLN HE22 H 1 7.390 0.000 . . . . . A 1 GLN HE22 . 30124 1 7 . 1 1 1 1 GLN CB C 13 27.114 0.001 . . . . . A 1 GLN CB . 30124 1 8 . 1 1 1 1 GLN NE2 N 15 112.337 0.002 . . . . . A 1 GLN NE2 . 30124 1 9 . 1 1 2 2 TRP H H 1 8.748 0.001 . . . . . A 2 TRP H . 30124 1 10 . 1 1 2 2 TRP HA H 1 4.497 0.005 . . . . . A 2 TRP HA . 30124 1 11 . 1 1 2 2 TRP HB3 H 1 3.168 0.002 . . . . . A 2 TRP HB3 . 30124 1 12 . 1 1 2 2 TRP HD1 H 1 7.233 0.000 . . . . . A 2 TRP HD1 . 30124 1 13 . 1 1 2 2 TRP HE1 H 1 10.005 0.002 . . . . . A 2 TRP HE1 . 30124 1 14 . 1 1 2 2 TRP HE3 H 1 7.434 0.005 . . . . . A 2 TRP HE3 . 30124 1 15 . 1 1 2 2 TRP HZ2 H 1 7.444 0.001 . . . . . A 2 TRP HZ2 . 30124 1 16 . 1 1 2 2 TRP HZ3 H 1 7.045 0.004 . . . . . A 2 TRP HZ3 . 30124 1 17 . 1 1 2 2 TRP HH2 H 1 7.196 0.000 . . . . . A 2 TRP HH2 . 30124 1 18 . 1 1 2 2 TRP CA C 13 58.421 0.000 . . . . . A 2 TRP CA . 30124 1 19 . 1 1 2 2 TRP CB C 13 30.002 0.000 . . . . . A 2 TRP CB . 30124 1 20 . 1 1 2 2 TRP CD1 C 13 127.396 0.000 . . . . . A 2 TRP CD1 . 30124 1 21 . 1 1 2 2 TRP CE3 C 13 120.598 0.000 . . . . . A 2 TRP CE3 . 30124 1 22 . 1 1 2 2 TRP CZ2 C 13 114.388 0.000 . . . . . A 2 TRP CZ2 . 30124 1 23 . 1 1 2 2 TRP CZ3 C 13 121.695 0.000 . . . . . A 2 TRP CZ3 . 30124 1 24 . 1 1 2 2 TRP N N 15 126.011 0.000 . . . . . A 2 TRP N . 30124 1 25 . 1 1 2 2 TRP NE1 N 15 129.476 0.000 . . . . . A 2 TRP NE1 . 30124 1 26 . 1 1 3 3 CYS H H 1 7.797 0.003 . . . . . A 3 CYS H . 30124 1 27 . 1 1 3 3 CYS HA H 1 4.693 0.005 . . . . . A 3 CYS HA . 30124 1 28 . 1 1 3 3 CYS HB2 H 1 2.922 0.002 . . . . . A 3 CYS HB2 . 30124 1 29 . 1 1 3 3 CYS HB3 H 1 2.389 0.002 . . . . . A 3 CYS HB3 . 30124 1 30 . 1 1 3 3 CYS CA C 13 51.873 0.000 . . . . . A 3 CYS CA . 30124 1 31 . 1 1 3 3 CYS CB C 13 42.124 0.003 . . . . . A 3 CYS CB . 30124 1 32 . 1 1 3 3 CYS N N 15 121.322 0.000 . . . . . A 3 CYS N . 30124 1 33 . 1 1 4 4 GLN H H 1 8.650 0.000 . . . . . A 4 GLN H . 30124 1 34 . 1 1 4 4 GLN HA H 1 4.036 0.007 . . . . . A 4 GLN HA . 30124 1 35 . 1 1 4 4 GLN HB2 H 1 1.955 0.000 . . . . . A 4 GLN HB2 . 30124 1 36 . 1 1 4 4 GLN HB3 H 1 1.765 0.000 . . . . . A 4 GLN HB3 . 30124 1 37 . 1 1 4 4 GLN HG2 H 1 2.175 0.004 . . . . . A 4 GLN HG2 . 30124 1 38 . 1 1 4 4 GLN HG3 H 1 2.052 0.000 . . . . . A 4 GLN HG3 . 30124 1 39 . 1 1 4 4 GLN HE21 H 1 6.725 0.002 . . . . . A 4 GLN HE21 . 30124 1 40 . 1 1 4 4 GLN HE22 H 1 7.117 0.001 . . . . . A 4 GLN HE22 . 30124 1 41 . 1 1 4 4 GLN CA C 13 54.532 0.000 . . . . . A 4 GLN CA . 30124 1 42 . 1 1 4 4 GLN CB C 13 27.155 0.013 . . . . . A 4 GLN CB . 30124 1 43 . 1 1 4 4 GLN CG C 13 33.471 0.003 . . . . . A 4 GLN CG . 30124 1 44 . 1 1 4 4 GLN N N 15 121.392 0.000 . . . . . A 4 GLN N . 30124 1 45 . 1 1 4 4 GLN NE2 N 15 112.132 0.001 . . . . . A 4 GLN NE2 . 30124 1 46 . 1 1 5 5 PRO HA H 1 4.372 0.000 . . . . . A 5 PRO HA . 30124 1 47 . 1 1 5 5 PRO HB2 H 1 1.907 0.001 . . . . . A 5 PRO HB2 . 30124 1 48 . 1 1 5 5 PRO HB3 H 1 2.372 0.001 . . . . . A 5 PRO HB3 . 30124 1 49 . 1 1 5 5 PRO HG2 H 1 2.219 0.002 . . . . . A 5 PRO HG2 . 30124 1 50 . 1 1 5 5 PRO HG3 H 1 2.078 0.001 . . . . . A 5 PRO HG3 . 30124 1 51 . 1 1 5 5 PRO HD2 H 1 3.688 0.001 . . . . . A 5 PRO HD2 . 30124 1 52 . 1 1 5 5 PRO HD3 H 1 3.825 0.003 . . . . . A 5 PRO HD3 . 30124 1 53 . 1 1 5 5 PRO CA C 13 64.574 0.000 . . . . . A 5 PRO CA . 30124 1 54 . 1 1 5 5 PRO CB C 13 31.746 0.001 . . . . . A 5 PRO CB . 30124 1 55 . 1 1 5 5 PRO CG C 13 28.163 0.019 . . . . . A 5 PRO CG . 30124 1 56 . 1 1 5 5 PRO CD C 13 50.376 0.005 . . . . . A 5 PRO CD . 30124 1 57 . 1 1 6 6 GLY H H 1 8.895 0.002 . . . . . A 6 GLY H . 30124 1 58 . 1 1 6 6 GLY HA2 H 1 4.342 0.017 . . . . . A 6 GLY HA2 . 30124 1 59 . 1 1 6 6 GLY HA3 H 1 3.618 0.002 . . . . . A 6 GLY HA3 . 30124 1 60 . 1 1 6 6 GLY CA C 13 45.085 0.001 . . . . . A 6 GLY CA . 30124 1 61 . 1 1 6 6 GLY N N 15 112.309 0.000 . . . . . A 6 GLY N . 30124 1 62 . 1 1 7 7 TYR H H 1 8.311 0.000 . . . . . A 7 TYR H . 30124 1 63 . 1 1 7 7 TYR HA H 1 5.050 0.002 . . . . . A 7 TYR HA . 30124 1 64 . 1 1 7 7 TYR HB2 H 1 2.386 0.002 . . . . . A 7 TYR HB2 . 30124 1 65 . 1 1 7 7 TYR HB3 H 1 3.345 0.001 . . . . . A 7 TYR HB3 . 30124 1 66 . 1 1 7 7 TYR HD1 H 1 6.698 0.004 . . . . . A 7 TYR HD1 . 30124 1 67 . 1 1 7 7 TYR HD2 H 1 6.698 0.004 . . . . . A 7 TYR HD2 . 30124 1 68 . 1 1 7 7 TYR HE1 H 1 6.723 0.001 . . . . . A 7 TYR HE1 . 30124 1 69 . 1 1 7 7 TYR HE2 H 1 6.723 0.001 . . . . . A 7 TYR HE2 . 30124 1 70 . 1 1 7 7 TYR CA C 13 56.451 0.000 . . . . . A 7 TYR CA . 30124 1 71 . 1 1 7 7 TYR CB C 13 41.574 0.002 . . . . . A 7 TYR CB . 30124 1 72 . 1 1 7 7 TYR CD1 C 13 132.644 0.002 . . . . . A 7 TYR CD1 . 30124 1 73 . 1 1 7 7 TYR CD2 C 13 132.644 0.002 . . . . . A 7 TYR CD2 . 30124 1 74 . 1 1 7 7 TYR CE1 C 13 118.030 0.000 . . . . . A 7 TYR CE1 . 30124 1 75 . 1 1 7 7 TYR CE2 C 13 118.030 0.000 . . . . . A 7 TYR CE2 . 30124 1 76 . 1 1 7 7 TYR N N 15 120.086 0.000 . . . . . A 7 TYR N . 30124 1 77 . 1 1 8 8 ALA H H 1 9.258 0.002 . . . . . A 8 ALA H . 30124 1 78 . 1 1 8 8 ALA HA H 1 4.647 0.001 . . . . . A 8 ALA HA . 30124 1 79 . 1 1 8 8 ALA HB1 H 1 1.346 0.001 . . . . . A 8 ALA HB1 . 30124 1 80 . 1 1 8 8 ALA HB2 H 1 1.346 0.001 . . . . . A 8 ALA HB2 . 30124 1 81 . 1 1 8 8 ALA HB3 H 1 1.346 0.001 . . . . . A 8 ALA HB3 . 30124 1 82 . 1 1 8 8 ALA CA C 13 51.089 0.000 . . . . . A 8 ALA CA . 30124 1 83 . 1 1 8 8 ALA CB C 13 22.318 0.000 . . . . . A 8 ALA CB . 30124 1 84 . 1 1 8 8 ALA N N 15 121.341 0.000 . . . . . A 8 ALA N . 30124 1 85 . 1 1 9 9 TYR H H 1 9.080 0.000 . . . . . A 9 TYR H . 30124 1 86 . 1 1 9 9 TYR HA H 1 4.310 0.002 . . . . . A 9 TYR HA . 30124 1 87 . 1 1 9 9 TYR HB2 H 1 3.021 0.000 . . . . . A 9 TYR HB2 . 30124 1 88 . 1 1 9 9 TYR HB3 H 1 2.804 0.001 . . . . . A 9 TYR HB3 . 30124 1 89 . 1 1 9 9 TYR HD1 H 1 6.832 0.068 . . . . . A 9 TYR HD1 . 30124 1 90 . 1 1 9 9 TYR HD2 H 1 6.832 0.068 . . . . . A 9 TYR HD2 . 30124 1 91 . 1 1 9 9 TYR HE1 H 1 6.595 0.076 . . . . . A 9 TYR HE1 . 30124 1 92 . 1 1 9 9 TYR HE2 H 1 6.595 0.076 . . . . . A 9 TYR HE2 . 30124 1 93 . 1 1 9 9 TYR CA C 13 59.700 0.000 . . . . . A 9 TYR CA . 30124 1 94 . 1 1 9 9 TYR CB C 13 39.112 0.012 . . . . . A 9 TYR CB . 30124 1 95 . 1 1 9 9 TYR CD1 C 13 132.783 0.001 . . . . . A 9 TYR CD1 . 30124 1 96 . 1 1 9 9 TYR CD2 C 13 132.783 0.001 . . . . . A 9 TYR CD2 . 30124 1 97 . 1 1 9 9 TYR CE1 C 13 117.990 0.000 . . . . . A 9 TYR CE1 . 30124 1 98 . 1 1 9 9 TYR CE2 C 13 117.990 0.000 . . . . . A 9 TYR CE2 . 30124 1 99 . 1 1 9 9 TYR N N 15 124.588 0.000 . . . . . A 9 TYR N . 30124 1 100 . 1 1 10 10 ASN H H 1 8.169 0.002 . . . . . A 10 ASN H . 30124 1 101 . 1 1 10 10 ASN HA H 1 5.072 0.000 . . . . . A 10 ASN HA . 30124 1 102 . 1 1 10 10 ASN HB2 H 1 2.803 0.001 . . . . . A 10 ASN HB2 . 30124 1 103 . 1 1 10 10 ASN HB3 H 1 3.000 0.001 . . . . . A 10 ASN HB3 . 30124 1 104 . 1 1 10 10 ASN HD21 H 1 7.763 0.001 . . . . . A 10 ASN HD21 . 30124 1 105 . 1 1 10 10 ASN HD22 H 1 7.354 0.001 . . . . . A 10 ASN HD22 . 30124 1 106 . 1 1 10 10 ASN CA C 13 49.279 0.000 . . . . . A 10 ASN CA . 30124 1 107 . 1 1 10 10 ASN CB C 13 39.478 0.001 . . . . . A 10 ASN CB . 30124 1 108 . 1 1 10 10 ASN N N 15 128.531 0.000 . . . . . A 10 ASN N . 30124 1 109 . 1 1 10 10 ASN ND2 N 15 115.012 0.003 . . . . . A 10 ASN ND2 . 30124 1 110 . 1 1 11 11 PRO HA H 1 4.031 0.001 . . . . . A 11 PRO HA . 30124 1 111 . 1 1 11 11 PRO HB3 H 1 2.411 0.000 . . . . . A 11 PRO HB3 . 30124 1 112 . 1 1 11 11 PRO HG2 H 1 2.051 0.001 . . . . . A 11 PRO HG2 . 30124 1 113 . 1 1 11 11 PRO HG3 H 1 2.111 0.000 . . . . . A 11 PRO HG3 . 30124 1 114 . 1 1 11 11 PRO HD3 H 1 3.902 0.001 . . . . . A 11 PRO HD3 . 30124 1 115 . 1 1 11 11 PRO CA C 13 64.047 0.000 . . . . . A 11 PRO CA . 30124 1 116 . 1 1 11 11 PRO CB C 13 32.322 0.000 . . . . . A 11 PRO CB . 30124 1 117 . 1 1 11 11 PRO CG C 13 27.033 0.000 . . . . . A 11 PRO CG . 30124 1 118 . 1 1 11 11 PRO CD C 13 51.087 0.000 . . . . . A 11 PRO CD . 30124 1 119 . 1 1 12 12 VAL H H 1 7.569 0.001 . . . . . A 12 VAL H . 30124 1 120 . 1 1 12 12 VAL HA H 1 3.749 0.002 . . . . . A 12 VAL HA . 30124 1 121 . 1 1 12 12 VAL HB H 1 2.109 0.004 . . . . . A 12 VAL HB . 30124 1 122 . 1 1 12 12 VAL HG11 H 1 0.903 0.002 . . . . . A 12 VAL HG11 . 30124 1 123 . 1 1 12 12 VAL HG12 H 1 0.903 0.002 . . . . . A 12 VAL HG12 . 30124 1 124 . 1 1 12 12 VAL HG13 H 1 0.903 0.002 . . . . . A 12 VAL HG13 . 30124 1 125 . 1 1 12 12 VAL HG21 H 1 0.998 0.002 . . . . . A 12 VAL HG21 . 30124 1 126 . 1 1 12 12 VAL HG22 H 1 0.998 0.002 . . . . . A 12 VAL HG22 . 30124 1 127 . 1 1 12 12 VAL HG23 H 1 0.998 0.002 . . . . . A 12 VAL HG23 . 30124 1 128 . 1 1 12 12 VAL CA C 13 65.364 0.000 . . . . . A 12 VAL CA . 30124 1 129 . 1 1 12 12 VAL CB C 13 32.073 0.000 . . . . . A 12 VAL CB . 30124 1 130 . 1 1 12 12 VAL CG1 C 13 21.042 0.000 . . . . . A 12 VAL CG1 . 30124 1 131 . 1 1 12 12 VAL CG2 C 13 22.286 0.000 . . . . . A 12 VAL CG2 . 30124 1 132 . 1 1 12 12 VAL N N 15 119.476 0.000 . . . . . A 12 VAL N . 30124 1 133 . 1 1 13 13 LEU H H 1 6.947 0.000 . . . . . A 13 LEU H . 30124 1 134 . 1 1 13 13 LEU HA H 1 4.282 0.002 . . . . . A 13 LEU HA . 30124 1 135 . 1 1 13 13 LEU HB3 H 1 1.291 0.001 . . . . . A 13 LEU HB3 . 30124 1 136 . 1 1 13 13 LEU HG H 1 1.525 0.001 . . . . . A 13 LEU HG . 30124 1 137 . 1 1 13 13 LEU HD11 H 1 0.824 0.002 . . . . . A 13 LEU HD11 . 30124 1 138 . 1 1 13 13 LEU HD12 H 1 0.824 0.002 . . . . . A 13 LEU HD12 . 30124 1 139 . 1 1 13 13 LEU HD13 H 1 0.824 0.002 . . . . . A 13 LEU HD13 . 30124 1 140 . 1 1 13 13 LEU HD21 H 1 0.857 0.001 . . . . . A 13 LEU HD21 . 30124 1 141 . 1 1 13 13 LEU HD22 H 1 0.857 0.001 . . . . . A 13 LEU HD22 . 30124 1 142 . 1 1 13 13 LEU HD23 H 1 0.857 0.001 . . . . . A 13 LEU HD23 . 30124 1 143 . 1 1 13 13 LEU CA C 13 54.810 0.000 . . . . . A 13 LEU CA . 30124 1 144 . 1 1 13 13 LEU CB C 13 44.174 0.000 . . . . . A 13 LEU CB . 30124 1 145 . 1 1 13 13 LEU CG C 13 26.983 0.000 . . . . . A 13 LEU CG . 30124 1 146 . 1 1 13 13 LEU CD1 C 13 23.391 0.000 . . . . . A 13 LEU CD1 . 30124 1 147 . 1 1 13 13 LEU CD2 C 13 25.585 0.000 . . . . . A 13 LEU CD2 . 30124 1 148 . 1 1 13 13 LEU N N 15 116.737 0.000 . . . . . A 13 LEU N . 30124 1 149 . 1 1 14 14 GLY H H 1 8.397 0.001 . . . . . A 14 GLY H . 30124 1 150 . 1 1 14 14 GLY HA2 H 1 3.968 0.006 . . . . . A 14 GLY HA2 . 30124 1 151 . 1 1 14 14 GLY HA3 H 1 3.728 0.002 . . . . . A 14 GLY HA3 . 30124 1 152 . 1 1 14 14 GLY CA C 13 46.282 0.000 . . . . . A 14 GLY CA . 30124 1 153 . 1 1 14 14 GLY N N 15 108.542 0.000 . . . . . A 14 GLY N . 30124 1 154 . 1 1 15 15 ILE H H 1 6.770 0.003 . . . . . A 15 ILE H . 30124 1 155 . 1 1 15 15 ILE HA H 1 4.849 0.002 . . . . . A 15 ILE HA . 30124 1 156 . 1 1 15 15 ILE HB H 1 1.913 0.000 . . . . . A 15 ILE HB . 30124 1 157 . 1 1 15 15 ILE HG13 H 1 1.172 0.002 . . . . . A 15 ILE HG13 . 30124 1 158 . 1 1 15 15 ILE HG21 H 1 0.892 0.003 . . . . . A 15 ILE HG21 . 30124 1 159 . 1 1 15 15 ILE HG22 H 1 0.892 0.003 . . . . . A 15 ILE HG22 . 30124 1 160 . 1 1 15 15 ILE HG23 H 1 0.892 0.003 . . . . . A 15 ILE HG23 . 30124 1 161 . 1 1 15 15 ILE HD11 H 1 0.827 0.001 . . . . . A 15 ILE HD11 . 30124 1 162 . 1 1 15 15 ILE HD12 H 1 0.827 0.001 . . . . . A 15 ILE HD12 . 30124 1 163 . 1 1 15 15 ILE HD13 H 1 0.827 0.001 . . . . . A 15 ILE HD13 . 30124 1 164 . 1 1 15 15 ILE CB C 13 43.659 0.003 . . . . . A 15 ILE CB . 30124 1 165 . 1 1 15 15 ILE CG1 C 13 25.520 0.000 . . . . . A 15 ILE CG1 . 30124 1 166 . 1 1 15 15 ILE CG2 C 13 18.105 0.000 . . . . . A 15 ILE CG2 . 30124 1 167 . 1 1 15 15 ILE CD1 C 13 13.569 0.000 . . . . . A 15 ILE CD1 . 30124 1 168 . 1 1 15 15 ILE N N 15 109.856 0.000 . . . . . A 15 ILE N . 30124 1 169 . 1 1 16 16 CYS H H 1 8.860 0.001 . . . . . A 16 CYS H . 30124 1 170 . 1 1 16 16 CYS HA H 1 5.152 0.000 . . . . . A 16 CYS HA . 30124 1 171 . 1 1 16 16 CYS HB2 H 1 2.776 0.001 . . . . . A 16 CYS HB2 . 30124 1 172 . 1 1 16 16 CYS HB3 H 1 3.105 0.003 . . . . . A 16 CYS HB3 . 30124 1 173 . 1 1 16 16 CYS CA C 13 56.217 0.000 . . . . . A 16 CYS CA . 30124 1 174 . 1 1 16 16 CYS CB C 13 42.948 0.000 . . . . . A 16 CYS CB . 30124 1 175 . 1 1 16 16 CYS N N 15 120.835 0.000 . . . . . A 16 CYS N . 30124 1 176 . 1 1 17 17 THR H H 1 9.354 0.002 . . . . . A 17 THR H . 30124 1 177 . 1 1 17 17 THR HA H 1 4.850 0.001 . . . . . A 17 THR HA . 30124 1 178 . 1 1 17 17 THR HB H 1 4.278 0.008 . . . . . A 17 THR HB . 30124 1 179 . 1 1 17 17 THR HG21 H 1 1.197 0.001 . . . . . A 17 THR HG21 . 30124 1 180 . 1 1 17 17 THR HG22 H 1 1.197 0.001 . . . . . A 17 THR HG22 . 30124 1 181 . 1 1 17 17 THR HG23 H 1 1.197 0.001 . . . . . A 17 THR HG23 . 30124 1 182 . 1 1 17 17 THR CB C 13 71.622 0.000 . . . . . A 17 THR CB . 30124 1 183 . 1 1 17 17 THR CG2 C 13 21.549 0.000 . . . . . A 17 THR CG2 . 30124 1 184 . 1 1 17 17 THR N N 15 116.606 0.000 . . . . . A 17 THR N . 30124 1 185 . 1 1 18 18 ILE H H 1 8.415 0.001 . . . . . A 18 ILE H . 30124 1 186 . 1 1 18 18 ILE HA H 1 3.426 0.001 . . . . . A 18 ILE HA . 30124 1 187 . 1 1 18 18 ILE HB H 1 1.298 0.001 . . . . . A 18 ILE HB . 30124 1 188 . 1 1 18 18 ILE HG12 H 1 0.787 0.002 . . . . . A 18 ILE HG12 . 30124 1 189 . 1 1 18 18 ILE HG13 H 1 1.060 0.001 . . . . . A 18 ILE HG13 . 30124 1 190 . 1 1 18 18 ILE HG21 H 1 0.685 0.001 . . . . . A 18 ILE HG21 . 30124 1 191 . 1 1 18 18 ILE HG22 H 1 0.685 0.001 . . . . . A 18 ILE HG22 . 30124 1 192 . 1 1 18 18 ILE HG23 H 1 0.685 0.001 . . . . . A 18 ILE HG23 . 30124 1 193 . 1 1 18 18 ILE HD11 H 1 0.667 0.000 . . . . . A 18 ILE HD11 . 30124 1 194 . 1 1 18 18 ILE HD12 H 1 0.667 0.000 . . . . . A 18 ILE HD12 . 30124 1 195 . 1 1 18 18 ILE HD13 H 1 0.667 0.000 . . . . . A 18 ILE HD13 . 30124 1 196 . 1 1 18 18 ILE CA C 13 62.201 0.000 . . . . . A 18 ILE CA . 30124 1 197 . 1 1 18 18 ILE CB C 13 38.962 0.000 . . . . . A 18 ILE CB . 30124 1 198 . 1 1 18 18 ILE CG1 C 13 28.870 0.005 . . . . . A 18 ILE CG1 . 30124 1 199 . 1 1 18 18 ILE CG2 C 13 16.593 0.000 . . . . . A 18 ILE CG2 . 30124 1 200 . 1 1 18 18 ILE CD1 C 13 13.562 0.000 . . . . . A 18 ILE CD1 . 30124 1 201 . 1 1 18 18 ILE N N 15 124.518 0.000 . . . . . A 18 ILE N . 30124 1 202 . 1 1 19 19 THR H H 1 8.184 0.000 . . . . . A 19 THR H . 30124 1 203 . 1 1 19 19 THR HA H 1 4.288 0.001 . . . . . A 19 THR HA . 30124 1 204 . 1 1 19 19 THR HB H 1 3.954 0.002 . . . . . A 19 THR HB . 30124 1 205 . 1 1 19 19 THR HG21 H 1 1.066 0.002 . . . . . A 19 THR HG21 . 30124 1 206 . 1 1 19 19 THR HG22 H 1 1.066 0.002 . . . . . A 19 THR HG22 . 30124 1 207 . 1 1 19 19 THR HG23 H 1 1.066 0.002 . . . . . A 19 THR HG23 . 30124 1 208 . 1 1 19 19 THR CA C 13 61.708 0.000 . . . . . A 19 THR CA . 30124 1 209 . 1 1 19 19 THR CB C 13 69.575 0.000 . . . . . A 19 THR CB . 30124 1 210 . 1 1 19 19 THR CG2 C 13 21.745 0.000 . . . . . A 19 THR CG2 . 30124 1 211 . 1 1 19 19 THR N N 15 121.305 0.000 . . . . . A 19 THR N . 30124 1 212 . 1 1 20 20 LEU H H 1 8.306 0.001 . . . . . A 20 LEU H . 30124 1 213 . 1 1 20 20 LEU HA H 1 4.384 0.001 . . . . . A 20 LEU HA . 30124 1 214 . 1 1 20 20 LEU HB3 H 1 1.594 0.000 . . . . . A 20 LEU HB3 . 30124 1 215 . 1 1 20 20 LEU HG H 1 1.579 0.004 . . . . . A 20 LEU HG . 30124 1 216 . 1 1 20 20 LEU HD11 H 1 0.897 0.002 . . . . . A 20 LEU HD11 . 30124 1 217 . 1 1 20 20 LEU HD12 H 1 0.897 0.002 . . . . . A 20 LEU HD12 . 30124 1 218 . 1 1 20 20 LEU HD13 H 1 0.897 0.002 . . . . . A 20 LEU HD13 . 30124 1 219 . 1 1 20 20 LEU HD21 H 1 0.833 0.001 . . . . . A 20 LEU HD21 . 30124 1 220 . 1 1 20 20 LEU HD22 H 1 0.833 0.001 . . . . . A 20 LEU HD22 . 30124 1 221 . 1 1 20 20 LEU HD23 H 1 0.833 0.001 . . . . . A 20 LEU HD23 . 30124 1 222 . 1 1 20 20 LEU CA C 13 54.865 0.000 . . . . . A 20 LEU CA . 30124 1 223 . 1 1 20 20 LEU CB C 13 42.661 0.028 . . . . . A 20 LEU CB . 30124 1 224 . 1 1 20 20 LEU CG C 13 26.994 0.000 . . . . . A 20 LEU CG . 30124 1 225 . 1 1 20 20 LEU CD1 C 13 24.972 0.000 . . . . . A 20 LEU CD1 . 30124 1 226 . 1 1 20 20 LEU CD2 C 13 25.576 0.000 . . . . . A 20 LEU CD2 . 30124 1 227 . 1 1 20 20 LEU N N 15 126.215 0.000 . . . . . A 20 LEU N . 30124 1 228 . 1 1 21 21 SER H H 1 8.325 0.000 . . . . . A 21 SER H . 30124 1 229 . 1 1 21 21 SER HA H 1 4.414 0.001 . . . . . A 21 SER HA . 30124 1 230 . 1 1 21 21 SER HB3 H 1 3.826 0.001 . . . . . A 21 SER HB3 . 30124 1 231 . 1 1 21 21 SER CA C 13 58.270 0.000 . . . . . A 21 SER CA . 30124 1 232 . 1 1 21 21 SER CB C 13 63.848 0.000 . . . . . A 21 SER CB . 30124 1 233 . 1 1 21 21 SER N N 15 117.827 0.000 . . . . . A 21 SER N . 30124 1 234 . 1 1 22 22 ARG H H 1 8.064 0.005 . . . . . A 22 ARG H . 30124 1 235 . 1 1 22 22 ARG HA H 1 4.193 0.013 . . . . . A 22 ARG HA . 30124 1 236 . 1 1 22 22 ARG HB2 H 1 1.702 0.000 . . . . . A 22 ARG HB2 . 30124 1 237 . 1 1 22 22 ARG HB3 H 1 1.854 0.000 . . . . . A 22 ARG HB3 . 30124 1 238 . 1 1 22 22 ARG HG3 H 1 1.581 0.000 . . . . . A 22 ARG HG3 . 30124 1 239 . 1 1 22 22 ARG HD3 H 1 3.182 0.000 . . . . . A 22 ARG HD3 . 30124 1 240 . 1 1 22 22 ARG HE H 1 7.184 0.000 . . . . . A 22 ARG HE . 30124 1 241 . 1 1 22 22 ARG CA C 13 57.439 0.000 . . . . . A 22 ARG CA . 30124 1 242 . 1 1 22 22 ARG CB C 13 31.535 0.000 . . . . . A 22 ARG CB . 30124 1 243 . 1 1 22 22 ARG CG C 13 27.501 0.000 . . . . . A 22 ARG CG . 30124 1 244 . 1 1 22 22 ARG N N 15 127.578 0.000 . . . . . A 22 ARG N . 30124 1 245 . 1 1 22 22 ARG NE N 15 85.138 0.000 . . . . . A 22 ARG NE . 30124 1 stop_ save_