################################### # 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_chemical_shift_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_1 _Assigned_chem_shift_list.Entry_ID 11332 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $condition_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $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 '3D 15N-separated NOESY' 1 $sample_1 isotropic 11332 1 2 '3D 13C-separated NOESY' 1 $sample_1 isotropic 11332 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 $XWINNMR . . 11332 1 2 $NMRPipe . . 11332 1 3 $NMRView . . 11332 1 4 $Kujira . . 11332 1 5 $CYANA . . 11332 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 6 6 SER HA H 1 4.481 0.030 . 1 . . . . 6 SER HA . 11332 1 2 . 1 1 6 6 SER HB2 H 1 3.890 0.030 . 1 . . . . 6 SER HB2 . 11332 1 3 . 1 1 6 6 SER HB3 H 1 3.890 0.030 . 1 . . . . 6 SER HB3 . 11332 1 4 . 1 1 6 6 SER C C 13 175.003 0.300 . 1 . . . . 6 SER C . 11332 1 5 . 1 1 6 6 SER CA C 13 58.653 0.300 . 1 . . . . 6 SER CA . 11332 1 6 . 1 1 6 6 SER CB C 13 63.645 0.300 . 1 . . . . 6 SER CB . 11332 1 7 . 1 1 7 7 GLY H H 1 8.396 0.030 . 1 . . . . 7 GLY H . 11332 1 8 . 1 1 7 7 GLY HA2 H 1 3.948 0.030 . 1 . . . . 7 GLY HA2 . 11332 1 9 . 1 1 7 7 GLY HA3 H 1 3.948 0.030 . 1 . . . . 7 GLY HA3 . 11332 1 10 . 1 1 7 7 GLY C C 13 173.809 0.300 . 1 . . . . 7 GLY C . 11332 1 11 . 1 1 7 7 GLY CA C 13 45.289 0.300 . 1 . . . . 7 GLY CA . 11332 1 12 . 1 1 7 7 GLY N N 15 110.467 0.300 . 1 . . . . 7 GLY N . 11332 1 13 . 1 1 8 8 ASN H H 1 8.301 0.030 . 1 . . . . 8 ASN H . 11332 1 14 . 1 1 8 8 ASN HA H 1 4.714 0.030 . 1 . . . . 8 ASN HA . 11332 1 15 . 1 1 8 8 ASN HB2 H 1 2.820 0.030 . 2 . . . . 8 ASN HB2 . 11332 1 16 . 1 1 8 8 ASN HB3 H 1 2.724 0.030 . 2 . . . . 8 ASN HB3 . 11332 1 17 . 1 1 8 8 ASN HD21 H 1 7.596 0.030 . 2 . . . . 8 ASN HD21 . 11332 1 18 . 1 1 8 8 ASN HD22 H 1 6.922 0.030 . 2 . . . . 8 ASN HD22 . 11332 1 19 . 1 1 8 8 ASN C C 13 175.490 0.300 . 1 . . . . 8 ASN C . 11332 1 20 . 1 1 8 8 ASN CA C 13 53.139 0.300 . 1 . . . . 8 ASN CA . 11332 1 21 . 1 1 8 8 ASN CB C 13 38.778 0.300 . 1 . . . . 8 ASN CB . 11332 1 22 . 1 1 8 8 ASN N N 15 118.689 0.300 . 1 . . . . 8 ASN N . 11332 1 23 . 1 1 8 8 ASN ND2 N 15 112.927 0.300 . 1 . . . . 8 ASN ND2 . 11332 1 24 . 1 1 9 9 LEU H H 1 8.346 0.030 . 1 . . . . 9 LEU H . 11332 1 25 . 1 1 9 9 LEU HA H 1 4.308 0.030 . 1 . . . . 9 LEU HA . 11332 1 26 . 1 1 9 9 LEU HB2 H 1 1.664 0.030 . 2 . . . . 9 LEU HB2 . 11332 1 27 . 1 1 9 9 LEU HB3 H 1 1.590 0.030 . 2 . . . . 9 LEU HB3 . 11332 1 28 . 1 1 9 9 LEU HD11 H 1 0.887 0.030 . 1 . . . . 9 LEU HD1 . 11332 1 29 . 1 1 9 9 LEU HD12 H 1 0.887 0.030 . 1 . . . . 9 LEU HD1 . 11332 1 30 . 1 1 9 9 LEU HD13 H 1 0.887 0.030 . 1 . . . . 9 LEU HD1 . 11332 1 31 . 1 1 9 9 LEU HD21 H 1 0.835 0.030 . 1 . . . . 9 LEU HD2 . 11332 1 32 . 1 1 9 9 LEU HD22 H 1 0.835 0.030 . 1 . . . . 9 LEU HD2 . 11332 1 33 . 1 1 9 9 LEU HD23 H 1 0.835 0.030 . 1 . . . . 9 LEU HD2 . 11332 1 34 . 1 1 9 9 LEU HG H 1 1.630 0.030 . 1 . . . . 9 LEU HG . 11332 1 35 . 1 1 9 9 LEU C C 13 177.726 0.300 . 1 . . . . 9 LEU C . 11332 1 36 . 1 1 9 9 LEU CA C 13 55.740 0.300 . 1 . . . . 9 LEU CA . 11332 1 37 . 1 1 9 9 LEU CB C 13 42.152 0.300 . 1 . . . . 9 LEU CB . 11332 1 38 . 1 1 9 9 LEU CD1 C 13 25.029 0.300 . 2 . . . . 9 LEU CD1 . 11332 1 39 . 1 1 9 9 LEU CD2 C 13 23.384 0.300 . 2 . . . . 9 LEU CD2 . 11332 1 40 . 1 1 9 9 LEU CG C 13 26.898 0.300 . 1 . . . . 9 LEU CG . 11332 1 41 . 1 1 9 9 LEU N N 15 122.968 0.300 . 1 . . . . 9 LEU N . 11332 1 42 . 1 1 10 10 SER H H 1 8.287 0.030 . 1 . . . . 10 SER H . 11332 1 43 . 1 1 10 10 SER HA H 1 4.368 0.030 . 1 . . . . 10 SER HA . 11332 1 44 . 1 1 10 10 SER HB2 H 1 3.846 0.030 . 1 . . . . 10 SER HB2 . 11332 1 45 . 1 1 10 10 SER HB3 H 1 3.846 0.030 . 1 . . . . 10 SER HB3 . 11332 1 46 . 1 1 10 10 SER C C 13 174.688 0.300 . 1 . . . . 10 SER C . 11332 1 47 . 1 1 10 10 SER CA C 13 58.857 0.300 . 1 . . . . 10 SER CA . 11332 1 48 . 1 1 10 10 SER CB C 13 63.659 0.300 . 1 . . . . 10 SER CB . 11332 1 49 . 1 1 10 10 SER N N 15 115.959 0.300 . 1 . . . . 10 SER N . 11332 1 50 . 1 1 11 11 GLU H H 1 8.293 0.030 . 1 . . . . 11 GLU H . 11332 1 51 . 1 1 11 11 GLU HA H 1 4.273 0.030 . 1 . . . . 11 GLU HA . 11332 1 52 . 1 1 11 11 GLU HB2 H 1 1.912 0.030 . 2 . . . . 11 GLU HB2 . 11332 1 53 . 1 1 11 11 GLU HB3 H 1 2.056 0.030 . 2 . . . . 11 GLU HB3 . 11332 1 54 . 1 1 11 11 GLU HG2 H 1 2.225 0.030 . 1 . . . . 11 GLU HG2 . 11332 1 55 . 1 1 11 11 GLU HG3 H 1 2.225 0.030 . 1 . . . . 11 GLU HG3 . 11332 1 56 . 1 1 11 11 GLU C C 13 176.320 0.300 . 1 . . . . 11 GLU C . 11332 1 57 . 1 1 11 11 GLU CA C 13 56.657 0.300 . 1 . . . . 11 GLU CA . 11332 1 58 . 1 1 11 11 GLU CB C 13 30.166 0.300 . 1 . . . . 11 GLU CB . 11332 1 59 . 1 1 11 11 GLU CG C 13 36.295 0.300 . 1 . . . . 11 GLU CG . 11332 1 60 . 1 1 11 11 GLU N N 15 122.108 0.300 . 1 . . . . 11 GLU N . 11332 1 61 . 1 1 12 12 LEU H H 1 8.142 0.030 . 1 . . . . 12 LEU H . 11332 1 62 . 1 1 12 12 LEU HA H 1 4.365 0.030 . 1 . . . . 12 LEU HA . 11332 1 63 . 1 1 12 12 LEU HB2 H 1 1.629 0.030 . 2 . . . . 12 LEU HB2 . 11332 1 64 . 1 1 12 12 LEU HB3 H 1 1.547 0.030 . 2 . . . . 12 LEU HB3 . 11332 1 65 . 1 1 12 12 LEU HD11 H 1 0.888 0.030 . 1 . . . . 12 LEU HD1 . 11332 1 66 . 1 1 12 12 LEU HD12 H 1 0.888 0.030 . 1 . . . . 12 LEU HD1 . 11332 1 67 . 1 1 12 12 LEU HD13 H 1 0.888 0.030 . 1 . . . . 12 LEU HD1 . 11332 1 68 . 1 1 12 12 LEU HD21 H 1 0.835 0.030 . 1 . . . . 12 LEU HD2 . 11332 1 69 . 1 1 12 12 LEU HD22 H 1 0.835 0.030 . 1 . . . . 12 LEU HD2 . 11332 1 70 . 1 1 12 12 LEU HD23 H 1 0.835 0.030 . 1 . . . . 12 LEU HD2 . 11332 1 71 . 1 1 12 12 LEU HG H 1 1.624 0.030 . 1 . . . . 12 LEU HG . 11332 1 72 . 1 1 12 12 LEU C C 13 177.210 0.300 . 1 . . . . 12 LEU C . 11332 1 73 . 1 1 12 12 LEU CA C 13 55.020 0.300 . 1 . . . . 12 LEU CA . 11332 1 74 . 1 1 12 12 LEU CB C 13 42.201 0.300 . 1 . . . . 12 LEU CB . 11332 1 75 . 1 1 12 12 LEU CD1 C 13 25.029 0.300 . 2 . . . . 12 LEU CD1 . 11332 1 76 . 1 1 12 12 LEU CD2 C 13 23.444 0.300 . 2 . . . . 12 LEU CD2 . 11332 1 77 . 1 1 12 12 LEU CG C 13 27.085 0.300 . 1 . . . . 12 LEU CG . 11332 1 78 . 1 1 12 12 LEU N N 15 122.284 0.300 . 1 . . . . 12 LEU N . 11332 1 79 . 1 1 13 13 THR H H 1 7.955 0.030 . 1 . . . . 13 THR H . 11332 1 80 . 1 1 13 13 THR HA H 1 4.508 0.030 . 1 . . . . 13 THR HA . 11332 1 81 . 1 1 13 13 THR HB H 1 4.106 0.030 . 1 . . . . 13 THR HB . 11332 1 82 . 1 1 13 13 THR HG21 H 1 1.155 0.030 . 1 . . . . 13 THR HG2 . 11332 1 83 . 1 1 13 13 THR HG22 H 1 1.155 0.030 . 1 . . . . 13 THR HG2 . 11332 1 84 . 1 1 13 13 THR HG23 H 1 1.155 0.030 . 1 . . . . 13 THR HG2 . 11332 1 85 . 1 1 13 13 THR C C 13 172.820 0.300 . 1 . . . . 13 THR C . 11332 1 86 . 1 1 13 13 THR CA C 13 59.786 0.300 . 1 . . . . 13 THR CA . 11332 1 87 . 1 1 13 13 THR CB C 13 69.521 0.300 . 1 . . . . 13 THR CB . 11332 1 88 . 1 1 13 13 THR CG2 C 13 21.299 0.300 . 1 . . . . 13 THR CG2 . 11332 1 89 . 1 1 13 13 THR N N 15 116.581 0.300 . 1 . . . . 13 THR N . 11332 1 90 . 1 1 14 14 PRO HA H 1 4.306 0.030 . 1 . . . . 14 PRO HA . 11332 1 91 . 1 1 14 14 PRO HB2 H 1 1.568 0.030 . 2 . . . . 14 PRO HB2 . 11332 1 92 . 1 1 14 14 PRO HB3 H 1 2.115 0.030 . 2 . . . . 14 PRO HB3 . 11332 1 93 . 1 1 14 14 PRO HD2 H 1 3.695 0.030 . 2 . . . . 14 PRO HD2 . 11332 1 94 . 1 1 14 14 PRO HD3 H 1 3.541 0.030 . 2 . . . . 14 PRO HD3 . 11332 1 95 . 1 1 14 14 PRO HG2 H 1 1.746 0.030 . 2 . . . . 14 PRO HG2 . 11332 1 96 . 1 1 14 14 PRO HG3 H 1 1.858 0.030 . 2 . . . . 14 PRO HG3 . 11332 1 97 . 1 1 14 14 PRO C C 13 176.447 0.300 . 1 . . . . 14 PRO C . 11332 1 98 . 1 1 14 14 PRO CA C 13 63.383 0.300 . 1 . . . . 14 PRO CA . 11332 1 99 . 1 1 14 14 PRO CB C 13 31.854 0.300 . 1 . . . . 14 PRO CB . 11332 1 100 . 1 1 14 14 PRO CD C 13 50.907 0.300 . 1 . . . . 14 PRO CD . 11332 1 101 . 1 1 14 14 PRO CG C 13 27.129 0.300 . 1 . . . . 14 PRO CG . 11332 1 102 . 1 1 15 15 TYR H H 1 7.877 0.030 . 1 . . . . 15 TYR H . 11332 1 103 . 1 1 15 15 TYR HA H 1 4.542 0.030 . 1 . . . . 15 TYR HA . 11332 1 104 . 1 1 15 15 TYR HB2 H 1 2.782 0.030 . 2 . . . . 15 TYR HB2 . 11332 1 105 . 1 1 15 15 TYR HB3 H 1 3.017 0.030 . 2 . . . . 15 TYR HB3 . 11332 1 106 . 1 1 15 15 TYR HD1 H 1 7.018 0.030 . 1 . . . . 15 TYR HD1 . 11332 1 107 . 1 1 15 15 TYR HD2 H 1 7.018 0.030 . 1 . . . . 15 TYR HD2 . 11332 1 108 . 1 1 15 15 TYR HE1 H 1 6.796 0.030 . 1 . . . . 15 TYR HE1 . 11332 1 109 . 1 1 15 15 TYR HE2 H 1 6.796 0.030 . 1 . . . . 15 TYR HE2 . 11332 1 110 . 1 1 15 15 TYR C C 13 175.188 0.300 . 1 . . . . 15 TYR C . 11332 1 111 . 1 1 15 15 TYR CA C 13 57.365 0.300 . 1 . . . . 15 TYR CA . 11332 1 112 . 1 1 15 15 TYR CB C 13 38.422 0.300 . 1 . . . . 15 TYR CB . 11332 1 113 . 1 1 15 15 TYR CD1 C 13 133.074 0.300 . 1 . . . . 15 TYR CD1 . 11332 1 114 . 1 1 15 15 TYR CD2 C 13 133.074 0.300 . 1 . . . . 15 TYR CD2 . 11332 1 115 . 1 1 15 15 TYR CE1 C 13 118.284 0.300 . 1 . . . . 15 TYR CE1 . 11332 1 116 . 1 1 15 15 TYR CE2 C 13 118.284 0.300 . 1 . . . . 15 TYR CE2 . 11332 1 117 . 1 1 15 15 TYR N N 15 118.696 0.300 . 1 . . . . 15 TYR N . 11332 1 118 . 1 1 16 16 ILE H H 1 7.897 0.030 . 1 . . . . 16 ILE H . 11332 1 119 . 1 1 16 16 ILE HA H 1 4.219 0.030 . 1 . . . . 16 ILE HA . 11332 1 120 . 1 1 16 16 ILE HB H 1 1.822 0.030 . 1 . . . . 16 ILE HB . 11332 1 121 . 1 1 16 16 ILE HD11 H 1 0.822 0.030 . 1 . . . . 16 ILE HD1 . 11332 1 122 . 1 1 16 16 ILE HD12 H 1 0.822 0.030 . 1 . . . . 16 ILE HD1 . 11332 1 123 . 1 1 16 16 ILE HD13 H 1 0.822 0.030 . 1 . . . . 16 ILE HD1 . 11332 1 124 . 1 1 16 16 ILE HG12 H 1 1.397 0.030 . 2 . . . . 16 ILE HG12 . 11332 1 125 . 1 1 16 16 ILE HG13 H 1 1.114 0.030 . 2 . . . . 16 ILE HG13 . 11332 1 126 . 1 1 16 16 ILE HG21 H 1 0.870 0.030 . 1 . . . . 16 ILE HG2 . 11332 1 127 . 1 1 16 16 ILE HG22 H 1 0.870 0.030 . 1 . . . . 16 ILE HG2 . 11332 1 128 . 1 1 16 16 ILE HG23 H 1 0.870 0.030 . 1 . . . . 16 ILE HG2 . 11332 1 129 . 1 1 16 16 ILE C C 13 174.851 0.300 . 1 . . . . 16 ILE C . 11332 1 130 . 1 1 16 16 ILE CA C 13 61.158 0.300 . 1 . . . . 16 ILE CA . 11332 1 131 . 1 1 16 16 ILE CB C 13 39.252 0.300 . 1 . . . . 16 ILE CB . 11332 1 132 . 1 1 16 16 ILE CD1 C 13 12.954 0.300 . 1 . . . . 16 ILE CD1 . 11332 1 133 . 1 1 16 16 ILE CG1 C 13 27.048 0.300 . 1 . . . . 16 ILE CG1 . 11332 1 134 . 1 1 16 16 ILE CG2 C 13 17.971 0.300 . 1 . . . . 16 ILE CG2 . 11332 1 135 . 1 1 16 16 ILE N N 15 120.627 0.300 . 1 . . . . 16 ILE N . 11332 1 136 . 1 1 17 17 LEU H H 1 7.894 0.030 . 1 . . . . 17 LEU H . 11332 1 137 . 1 1 17 17 LEU HA H 1 4.626 0.030 . 1 . . . . 17 LEU HA . 11332 1 138 . 1 1 17 17 LEU HB2 H 1 1.018 0.030 . 2 . . . . 17 LEU HB2 . 11332 1 139 . 1 1 17 17 LEU HB3 H 1 1.419 0.030 . 2 . . . . 17 LEU HB3 . 11332 1 140 . 1 1 17 17 LEU HD11 H 1 0.683 0.030 . 1 . . . . 17 LEU HD1 . 11332 1 141 . 1 1 17 17 LEU HD12 H 1 0.683 0.030 . 1 . . . . 17 LEU HD1 . 11332 1 142 . 1 1 17 17 LEU HD13 H 1 0.683 0.030 . 1 . . . . 17 LEU HD1 . 11332 1 143 . 1 1 17 17 LEU HD21 H 1 0.380 0.030 . 1 . . . . 17 LEU HD2 . 11332 1 144 . 1 1 17 17 LEU HD22 H 1 0.380 0.030 . 1 . . . . 17 LEU HD2 . 11332 1 145 . 1 1 17 17 LEU HD23 H 1 0.380 0.030 . 1 . . . . 17 LEU HD2 . 11332 1 146 . 1 1 17 17 LEU HG H 1 1.418 0.030 . 1 . . . . 17 LEU HG . 11332 1 147 . 1 1 17 17 LEU C C 13 176.895 0.300 . 1 . . . . 17 LEU C . 11332 1 148 . 1 1 17 17 LEU CA C 13 53.271 0.300 . 1 . . . . 17 LEU CA . 11332 1 149 . 1 1 17 17 LEU CB C 13 43.709 0.300 . 1 . . . . 17 LEU CB . 11332 1 150 . 1 1 17 17 LEU CD1 C 13 25.193 0.300 . 2 . . . . 17 LEU CD1 . 11332 1 151 . 1 1 17 17 LEU CD2 C 13 22.896 0.300 . 2 . . . . 17 LEU CD2 . 11332 1 152 . 1 1 17 17 LEU CG C 13 26.648 0.300 . 1 . . . . 17 LEU CG . 11332 1 153 . 1 1 17 17 LEU N N 15 123.193 0.300 . 1 . . . . 17 LEU N . 11332 1 154 . 1 1 18 18 CYS H H 1 8.952 0.030 . 1 . . . . 18 CYS H . 11332 1 155 . 1 1 18 18 CYS HA H 1 4.355 0.030 . 1 . . . . 18 CYS HA . 11332 1 156 . 1 1 18 18 CYS HB2 H 1 3.043 0.030 . 2 . . . . 18 CYS HB2 . 11332 1 157 . 1 1 18 18 CYS HB3 H 1 3.509 0.030 . 2 . . . . 18 CYS HB3 . 11332 1 158 . 1 1 18 18 CYS C C 13 177.847 0.300 . 1 . . . . 18 CYS C . 11332 1 159 . 1 1 18 18 CYS CA C 13 59.408 0.300 . 1 . . . . 18 CYS CA . 11332 1 160 . 1 1 18 18 CYS CB C 13 33.231 0.300 . 1 . . . . 18 CYS CB . 11332 1 161 . 1 1 18 18 CYS N N 15 125.899 0.300 . 1 . . . . 18 CYS N . 11332 1 162 . 1 1 19 19 SER H H 1 8.938 0.030 . 1 . . . . 19 SER H . 11332 1 163 . 1 1 19 19 SER HA H 1 4.242 0.030 . 1 . . . . 19 SER HA . 11332 1 164 . 1 1 19 19 SER HB2 H 1 3.847 0.030 . 2 . . . . 19 SER HB2 . 11332 1 165 . 1 1 19 19 SER HB3 H 1 4.031 0.030 . 2 . . . . 19 SER HB3 . 11332 1 166 . 1 1 19 19 SER C C 13 174.969 0.300 . 1 . . . . 19 SER C . 11332 1 167 . 1 1 19 19 SER CA C 13 61.452 0.300 . 1 . . . . 19 SER CA . 11332 1 168 . 1 1 19 19 SER CB C 13 63.080 0.300 . 1 . . . . 19 SER CB . 11332 1 169 . 1 1 19 19 SER N N 15 124.234 0.300 . 1 . . . . 19 SER N . 11332 1 170 . 1 1 20 20 ILE H H 1 9.144 0.030 . 1 . . . . 20 ILE H . 11332 1 171 . 1 1 20 20 ILE HA H 1 4.032 0.030 . 1 . . . . 20 ILE HA . 11332 1 172 . 1 1 20 20 ILE HB H 1 1.994 0.030 . 1 . . . . 20 ILE HB . 11332 1 173 . 1 1 20 20 ILE HD11 H 1 0.249 0.030 . 1 . . . . 20 ILE HD1 . 11332 1 174 . 1 1 20 20 ILE HD12 H 1 0.249 0.030 . 1 . . . . 20 ILE HD1 . 11332 1 175 . 1 1 20 20 ILE HD13 H 1 0.249 0.030 . 1 . . . . 20 ILE HD1 . 11332 1 176 . 1 1 20 20 ILE HG12 H 1 0.733 0.030 . 2 . . . . 20 ILE HG12 . 11332 1 177 . 1 1 20 20 ILE HG13 H 1 1.607 0.030 . 2 . . . . 20 ILE HG13 . 11332 1 178 . 1 1 20 20 ILE HG21 H 1 0.928 0.030 . 1 . . . . 20 ILE HG2 . 11332 1 179 . 1 1 20 20 ILE HG22 H 1 0.928 0.030 . 1 . . . . 20 ILE HG2 . 11332 1 180 . 1 1 20 20 ILE HG23 H 1 0.928 0.030 . 1 . . . . 20 ILE HG2 . 11332 1 181 . 1 1 20 20 ILE C C 13 176.859 0.300 . 1 . . . . 20 ILE C . 11332 1 182 . 1 1 20 20 ILE CA C 13 64.991 0.300 . 1 . . . . 20 ILE CA . 11332 1 183 . 1 1 20 20 ILE CB C 13 38.463 0.300 . 1 . . . . 20 ILE CB . 11332 1 184 . 1 1 20 20 ILE CD1 C 13 14.206 0.300 . 1 . . . . 20 ILE CD1 . 11332 1 185 . 1 1 20 20 ILE CG1 C 13 27.561 0.300 . 1 . . . . 20 ILE CG1 . 11332 1 186 . 1 1 20 20 ILE CG2 C 13 17.078 0.300 . 1 . . . . 20 ILE CG2 . 11332 1 187 . 1 1 20 20 ILE N N 15 124.524 0.300 . 1 . . . . 20 ILE N . 11332 1 188 . 1 1 21 21 CYS H H 1 8.176 0.030 . 1 . . . . 21 CYS H . 11332 1 189 . 1 1 21 21 CYS HA H 1 4.652 0.030 . 1 . . . . 21 CYS HA . 11332 1 190 . 1 1 21 21 CYS HB2 H 1 3.124 0.030 . 1 . . . . 21 CYS HB2 . 11332 1 191 . 1 1 21 21 CYS HB3 H 1 3.124 0.030 . 1 . . . . 21 CYS HB3 . 11332 1 192 . 1 1 21 21 CYS C C 13 176.949 0.300 . 1 . . . . 21 CYS C . 11332 1 193 . 1 1 21 21 CYS CA C 13 59.082 0.300 . 1 . . . . 21 CYS CA . 11332 1 194 . 1 1 21 21 CYS CB C 13 31.580 0.300 . 1 . . . . 21 CYS CB . 11332 1 195 . 1 1 21 21 CYS N N 15 118.015 0.300 . 1 . . . . 21 CYS N . 11332 1 196 . 1 1 22 22 LYS H H 1 8.109 0.030 . 1 . . . . 22 LYS H . 11332 1 197 . 1 1 22 22 LYS HA H 1 4.021 0.030 . 1 . . . . 22 LYS HA . 11332 1 198 . 1 1 22 22 LYS HB2 H 1 1.955 0.030 . 2 . . . . 22 LYS HB2 . 11332 1 199 . 1 1 22 22 LYS HB3 H 1 2.156 0.030 . 2 . . . . 22 LYS HB3 . 11332 1 200 . 1 1 22 22 LYS HD2 H 1 1.553 0.030 . 1 . . . . 22 LYS HD2 . 11332 1 201 . 1 1 22 22 LYS HD3 H 1 1.553 0.030 . 1 . . . . 22 LYS HD3 . 11332 1 202 . 1 1 22 22 LYS HE2 H 1 2.970 0.030 . 2 . . . . 22 LYS HE2 . 11332 1 203 . 1 1 22 22 LYS HE3 H 1 2.931 0.030 . 2 . . . . 22 LYS HE3 . 11332 1 204 . 1 1 22 22 LYS HG2 H 1 1.305 0.030 . 2 . . . . 22 LYS HG2 . 11332 1 205 . 1 1 22 22 LYS HG3 H 1 1.221 0.030 . 2 . . . . 22 LYS HG3 . 11332 1 206 . 1 1 22 22 LYS C C 13 174.720 0.300 . 1 . . . . 22 LYS C . 11332 1 207 . 1 1 22 22 LYS CA C 13 57.657 0.300 . 1 . . . . 22 LYS CA . 11332 1 208 . 1 1 22 22 LYS CB C 13 28.898 0.300 . 1 . . . . 22 LYS CB . 11332 1 209 . 1 1 22 22 LYS CD C 13 28.742 0.300 . 1 . . . . 22 LYS CD . 11332 1 210 . 1 1 22 22 LYS CE C 13 42.426 0.300 . 1 . . . . 22 LYS CE . 11332 1 211 . 1 1 22 22 LYS CG C 13 25.135 0.300 . 1 . . . . 22 LYS CG . 11332 1 212 . 1 1 22 22 LYS N N 15 118.531 0.300 . 1 . . . . 22 LYS N . 11332 1 213 . 1 1 23 23 GLY H H 1 8.575 0.030 . 1 . . . . 23 GLY H . 11332 1 214 . 1 1 23 23 GLY HA2 H 1 3.701 0.030 . 2 . . . . 23 GLY HA2 . 11332 1 215 . 1 1 23 23 GLY HA3 H 1 4.371 0.030 . 2 . . . . 23 GLY HA3 . 11332 1 216 . 1 1 23 23 GLY C C 13 172.825 0.300 . 1 . . . . 23 GLY C . 11332 1 217 . 1 1 23 23 GLY CA C 13 42.902 0.300 . 1 . . . . 23 GLY CA . 11332 1 218 . 1 1 23 23 GLY N N 15 110.170 0.300 . 1 . . . . 23 GLY N . 11332 1 219 . 1 1 24 24 TYR H H 1 7.774 0.030 . 1 . . . . 24 TYR H . 11332 1 220 . 1 1 24 24 TYR HA H 1 4.512 0.030 . 1 . . . . 24 TYR HA . 11332 1 221 . 1 1 24 24 TYR HB2 H 1 2.700 0.030 . 2 . . . . 24 TYR HB2 . 11332 1 222 . 1 1 24 24 TYR HB3 H 1 3.037 0.030 . 2 . . . . 24 TYR HB3 . 11332 1 223 . 1 1 24 24 TYR HD1 H 1 7.049 0.030 . 1 . . . . 24 TYR HD1 . 11332 1 224 . 1 1 24 24 TYR HD2 H 1 7.049 0.030 . 1 . . . . 24 TYR HD2 . 11332 1 225 . 1 1 24 24 TYR HE1 H 1 6.715 0.030 . 1 . . . . 24 TYR HE1 . 11332 1 226 . 1 1 24 24 TYR HE2 H 1 6.715 0.030 . 1 . . . . 24 TYR HE2 . 11332 1 227 . 1 1 24 24 TYR C C 13 176.330 0.300 . 1 . . . . 24 TYR C . 11332 1 228 . 1 1 24 24 TYR CA C 13 58.167 0.300 . 1 . . . . 24 TYR CA . 11332 1 229 . 1 1 24 24 TYR CB C 13 37.941 0.300 . 1 . . . . 24 TYR CB . 11332 1 230 . 1 1 24 24 TYR CD1 C 13 132.834 0.300 . 1 . . . . 24 TYR CD1 . 11332 1 231 . 1 1 24 24 TYR CD2 C 13 132.834 0.300 . 1 . . . . 24 TYR CD2 . 11332 1 232 . 1 1 24 24 TYR CE1 C 13 118.086 0.300 . 1 . . . . 24 TYR CE1 . 11332 1 233 . 1 1 24 24 TYR CE2 C 13 118.086 0.300 . 1 . . . . 24 TYR CE2 . 11332 1 234 . 1 1 24 24 TYR N N 15 117.256 0.300 . 1 . . . . 24 TYR N . 11332 1 235 . 1 1 25 25 LEU H H 1 7.935 0.030 . 1 . . . . 25 LEU H . 11332 1 236 . 1 1 25 25 LEU HA H 1 4.461 0.030 . 1 . . . . 25 LEU HA . 11332 1 237 . 1 1 25 25 LEU HB2 H 1 1.641 0.030 . 2 . . . . 25 LEU HB2 . 11332 1 238 . 1 1 25 25 LEU HB3 H 1 1.034 0.030 . 2 . . . . 25 LEU HB3 . 11332 1 239 . 1 1 25 25 LEU HD11 H 1 0.702 0.030 . 1 . . . . 25 LEU HD1 . 11332 1 240 . 1 1 25 25 LEU HD12 H 1 0.702 0.030 . 1 . . . . 25 LEU HD1 . 11332 1 241 . 1 1 25 25 LEU HD13 H 1 0.702 0.030 . 1 . . . . 25 LEU HD1 . 11332 1 242 . 1 1 25 25 LEU HD21 H 1 0.731 0.030 . 1 . . . . 25 LEU HD2 . 11332 1 243 . 1 1 25 25 LEU HD22 H 1 0.731 0.030 . 1 . . . . 25 LEU HD2 . 11332 1 244 . 1 1 25 25 LEU HD23 H 1 0.731 0.030 . 1 . . . . 25 LEU HD2 . 11332 1 245 . 1 1 25 25 LEU HG H 1 1.449 0.030 . 1 . . . . 25 LEU HG . 11332 1 246 . 1 1 25 25 LEU C C 13 177.448 0.300 . 1 . . . . 25 LEU C . 11332 1 247 . 1 1 25 25 LEU CA C 13 55.834 0.300 . 1 . . . . 25 LEU CA . 11332 1 248 . 1 1 25 25 LEU CB C 13 43.787 0.300 . 1 . . . . 25 LEU CB . 11332 1 249 . 1 1 25 25 LEU CD1 C 13 26.048 0.300 . 2 . . . . 25 LEU CD1 . 11332 1 250 . 1 1 25 25 LEU CD2 C 13 24.605 0.300 . 2 . . . . 25 LEU CD2 . 11332 1 251 . 1 1 25 25 LEU CG C 13 27.398 0.300 . 1 . . . . 25 LEU CG . 11332 1 252 . 1 1 25 25 LEU N N 15 120.692 0.300 . 1 . . . . 25 LEU N . 11332 1 253 . 1 1 26 26 ILE H H 1 8.395 0.030 . 1 . . . . 26 ILE H . 11332 1 254 . 1 1 26 26 ILE HA H 1 4.237 0.030 . 1 . . . . 26 ILE HA . 11332 1 255 . 1 1 26 26 ILE HB H 1 1.954 0.030 . 1 . . . . 26 ILE HB . 11332 1 256 . 1 1 26 26 ILE HD11 H 1 0.854 0.030 . 1 . . . . 26 ILE HD1 . 11332 1 257 . 1 1 26 26 ILE HD12 H 1 0.854 0.030 . 1 . . . . 26 ILE HD1 . 11332 1 258 . 1 1 26 26 ILE HD13 H 1 0.854 0.030 . 1 . . . . 26 ILE HD1 . 11332 1 259 . 1 1 26 26 ILE HG12 H 1 1.275 0.030 . 2 . . . . 26 ILE HG12 . 11332 1 260 . 1 1 26 26 ILE HG13 H 1 1.637 0.030 . 2 . . . . 26 ILE HG13 . 11332 1 261 . 1 1 26 26 ILE HG21 H 1 0.919 0.030 . 1 . . . . 26 ILE HG2 . 11332 1 262 . 1 1 26 26 ILE HG22 H 1 0.919 0.030 . 1 . . . . 26 ILE HG2 . 11332 1 263 . 1 1 26 26 ILE HG23 H 1 0.919 0.030 . 1 . . . . 26 ILE HG2 . 11332 1 264 . 1 1 26 26 ILE C C 13 176.541 0.300 . 1 . . . . 26 ILE C . 11332 1 265 . 1 1 26 26 ILE CA C 13 60.166 0.300 . 1 . . . . 26 ILE CA . 11332 1 266 . 1 1 26 26 ILE CB C 13 38.752 0.300 . 1 . . . . 26 ILE CB . 11332 1 267 . 1 1 26 26 ILE CD1 C 13 12.077 0.300 . 1 . . . . 26 ILE CD1 . 11332 1 268 . 1 1 26 26 ILE CG1 C 13 26.860 0.300 . 1 . . . . 26 ILE CG1 . 11332 1 269 . 1 1 26 26 ILE CG2 C 13 17.339 0.300 . 1 . . . . 26 ILE CG2 . 11332 1 270 . 1 1 26 26 ILE N N 15 127.152 0.300 . 1 . . . . 26 ILE N . 11332 1 271 . 1 1 27 27 ASP H H 1 9.037 0.030 . 1 . . . . 27 ASP H . 11332 1 272 . 1 1 27 27 ASP HA H 1 4.269 0.030 . 1 . . . . 27 ASP HA . 11332 1 273 . 1 1 27 27 ASP HB2 H 1 2.669 0.030 . 2 . . . . 27 ASP HB2 . 11332 1 274 . 1 1 27 27 ASP HB3 H 1 3.072 0.030 . 2 . . . . 27 ASP HB3 . 11332 1 275 . 1 1 27 27 ASP C C 13 174.738 0.300 . 1 . . . . 27 ASP C . 11332 1 276 . 1 1 27 27 ASP CA C 13 54.802 0.300 . 1 . . . . 27 ASP CA . 11332 1 277 . 1 1 27 27 ASP CB C 13 39.287 0.300 . 1 . . . . 27 ASP CB . 11332 1 278 . 1 1 27 27 ASP N N 15 128.904 0.300 . 1 . . . . 27 ASP N . 11332 1 279 . 1 1 28 28 ALA H H 1 8.296 0.030 . 1 . . . . 28 ALA H . 11332 1 280 . 1 1 28 28 ALA HA H 1 3.947 0.030 . 1 . . . . 28 ALA HA . 11332 1 281 . 1 1 28 28 ALA HB1 H 1 1.216 0.030 . 1 . . . . 28 ALA HB . 11332 1 282 . 1 1 28 28 ALA HB2 H 1 1.216 0.030 . 1 . . . . 28 ALA HB . 11332 1 283 . 1 1 28 28 ALA HB3 H 1 1.216 0.030 . 1 . . . . 28 ALA HB . 11332 1 284 . 1 1 28 28 ALA C C 13 177.797 0.300 . 1 . . . . 28 ALA C . 11332 1 285 . 1 1 28 28 ALA CA C 13 53.728 0.300 . 1 . . . . 28 ALA CA . 11332 1 286 . 1 1 28 28 ALA CB C 13 20.045 0.300 . 1 . . . . 28 ALA CB . 11332 1 287 . 1 1 28 28 ALA N N 15 122.039 0.300 . 1 . . . . 28 ALA N . 11332 1 288 . 1 1 29 29 THR H H 1 9.565 0.030 . 1 . . . . 29 THR H . 11332 1 289 . 1 1 29 29 THR HA H 1 4.573 0.030 . 1 . . . . 29 THR HA . 11332 1 290 . 1 1 29 29 THR HB H 1 3.956 0.030 . 1 . . . . 29 THR HB . 11332 1 291 . 1 1 29 29 THR HG21 H 1 1.198 0.030 . 1 . . . . 29 THR HG2 . 11332 1 292 . 1 1 29 29 THR HG22 H 1 1.198 0.030 . 1 . . . . 29 THR HG2 . 11332 1 293 . 1 1 29 29 THR HG23 H 1 1.198 0.030 . 1 . . . . 29 THR HG2 . 11332 1 294 . 1 1 29 29 THR C C 13 172.063 0.300 . 1 . . . . 29 THR C . 11332 1 295 . 1 1 29 29 THR CA C 13 62.703 0.300 . 1 . . . . 29 THR CA . 11332 1 296 . 1 1 29 29 THR CB C 13 72.134 0.300 . 1 . . . . 29 THR CB . 11332 1 297 . 1 1 29 29 THR CG2 C 13 20.534 0.300 . 1 . . . . 29 THR CG2 . 11332 1 298 . 1 1 29 29 THR N N 15 122.200 0.300 . 1 . . . . 29 THR N . 11332 1 299 . 1 1 30 30 THR H H 1 8.948 0.030 . 1 . . . . 30 THR H . 11332 1 300 . 1 1 30 30 THR HA H 1 4.884 0.030 . 1 . . . . 30 THR HA . 11332 1 301 . 1 1 30 30 THR HB H 1 3.711 0.030 . 1 . . . . 30 THR HB . 11332 1 302 . 1 1 30 30 THR HG21 H 1 0.929 0.030 . 1 . . . . 30 THR HG2 . 11332 1 303 . 1 1 30 30 THR HG22 H 1 0.929 0.030 . 1 . . . . 30 THR HG2 . 11332 1 304 . 1 1 30 30 THR HG23 H 1 0.929 0.030 . 1 . . . . 30 THR HG2 . 11332 1 305 . 1 1 30 30 THR C C 13 174.443 0.300 . 1 . . . . 30 THR C . 11332 1 306 . 1 1 30 30 THR CA C 13 61.863 0.300 . 1 . . . . 30 THR CA . 11332 1 307 . 1 1 30 30 THR CB C 13 71.092 0.300 . 1 . . . . 30 THR CB . 11332 1 308 . 1 1 30 30 THR CG2 C 13 21.929 0.300 . 1 . . . . 30 THR CG2 . 11332 1 309 . 1 1 30 30 THR N N 15 125.128 0.300 . 1 . . . . 30 THR N . 11332 1 310 . 1 1 31 31 ILE H H 1 9.067 0.030 . 1 . . . . 31 ILE H . 11332 1 311 . 1 1 31 31 ILE HA H 1 4.279 0.030 . 1 . . . . 31 ILE HA . 11332 1 312 . 1 1 31 31 ILE HB H 1 2.611 0.030 . 1 . . . . 31 ILE HB . 11332 1 313 . 1 1 31 31 ILE HD11 H 1 1.267 0.030 . 1 . . . . 31 ILE HD1 . 11332 1 314 . 1 1 31 31 ILE HD12 H 1 1.267 0.030 . 1 . . . . 31 ILE HD1 . 11332 1 315 . 1 1 31 31 ILE HD13 H 1 1.267 0.030 . 1 . . . . 31 ILE HD1 . 11332 1 316 . 1 1 31 31 ILE HG12 H 1 2.041 0.030 . 2 . . . . 31 ILE HG12 . 11332 1 317 . 1 1 31 31 ILE HG13 H 1 1.439 0.030 . 2 . . . . 31 ILE HG13 . 11332 1 318 . 1 1 31 31 ILE HG21 H 1 1.385 0.030 . 1 . . . . 31 ILE HG2 . 11332 1 319 . 1 1 31 31 ILE HG22 H 1 1.385 0.030 . 1 . . . . 31 ILE HG2 . 11332 1 320 . 1 1 31 31 ILE HG23 H 1 1.385 0.030 . 1 . . . . 31 ILE HG2 . 11332 1 321 . 1 1 31 31 ILE C C 13 177.019 0.300 . 1 . . . . 31 ILE C . 11332 1 322 . 1 1 31 31 ILE CA C 13 61.735 0.300 . 1 . . . . 31 ILE CA . 11332 1 323 . 1 1 31 31 ILE CB C 13 37.791 0.300 . 1 . . . . 31 ILE CB . 11332 1 324 . 1 1 31 31 ILE CD1 C 13 13.876 0.300 . 1 . . . . 31 ILE CD1 . 11332 1 325 . 1 1 31 31 ILE CG1 C 13 27.748 0.300 . 1 . . . . 31 ILE CG1 . 11332 1 326 . 1 1 31 31 ILE CG2 C 13 20.986 0.300 . 1 . . . . 31 ILE CG2 . 11332 1 327 . 1 1 31 31 ILE N N 15 129.684 0.300 . 1 . . . . 31 ILE N . 11332 1 328 . 1 1 32 32 THR H H 1 8.649 0.030 . 1 . . . . 32 THR H . 11332 1 329 . 1 1 32 32 THR HA H 1 3.750 0.030 . 1 . . . . 32 THR HA . 11332 1 330 . 1 1 32 32 THR HB H 1 4.111 0.030 . 1 . . . . 32 THR HB . 11332 1 331 . 1 1 32 32 THR HG21 H 1 1.215 0.030 . 1 . . . . 32 THR HG2 . 11332 1 332 . 1 1 32 32 THR HG22 H 1 1.215 0.030 . 1 . . . . 32 THR HG2 . 11332 1 333 . 1 1 32 32 THR HG23 H 1 1.215 0.030 . 1 . . . . 32 THR HG2 . 11332 1 334 . 1 1 32 32 THR C C 13 175.828 0.300 . 1 . . . . 32 THR C . 11332 1 335 . 1 1 32 32 THR CA C 13 66.422 0.300 . 1 . . . . 32 THR CA . 11332 1 336 . 1 1 32 32 THR CB C 13 68.736 0.300 . 1 . . . . 32 THR CB . 11332 1 337 . 1 1 32 32 THR CG2 C 13 22.220 0.300 . 1 . . . . 32 THR CG2 . 11332 1 338 . 1 1 32 32 THR N N 15 124.318 0.300 . 1 . . . . 32 THR N . 11332 1 339 . 1 1 33 33 GLU H H 1 9.455 0.030 . 1 . . . . 33 GLU H . 11332 1 340 . 1 1 33 33 GLU HA H 1 3.916 0.030 . 1 . . . . 33 GLU HA . 11332 1 341 . 1 1 33 33 GLU HB2 H 1 1.849 0.030 . 2 . . . . 33 GLU HB2 . 11332 1 342 . 1 1 33 33 GLU HB3 H 1 2.056 0.030 . 2 . . . . 33 GLU HB3 . 11332 1 343 . 1 1 33 33 GLU HG2 H 1 2.653 0.030 . 2 . . . . 33 GLU HG2 . 11332 1 344 . 1 1 33 33 GLU HG3 H 1 2.363 0.030 . 2 . . . . 33 GLU HG3 . 11332 1 345 . 1 1 33 33 GLU C C 13 176.979 0.300 . 1 . . . . 33 GLU C . 11332 1 346 . 1 1 33 33 GLU CA C 13 61.300 0.300 . 1 . . . . 33 GLU CA . 11332 1 347 . 1 1 33 33 GLU CB C 13 29.966 0.300 . 1 . . . . 33 GLU CB . 11332 1 348 . 1 1 33 33 GLU CG C 13 37.920 0.300 . 1 . . . . 33 GLU CG . 11332 1 349 . 1 1 33 33 GLU N N 15 119.475 0.300 . 1 . . . . 33 GLU N . 11332 1 350 . 1 1 34 34 CYS H H 1 7.108 0.030 . 1 . . . . 34 CYS H . 11332 1 351 . 1 1 34 34 CYS HA H 1 4.641 0.030 . 1 . . . . 34 CYS HA . 11332 1 352 . 1 1 34 34 CYS HB2 H 1 2.664 0.030 . 2 . . . . 34 CYS HB2 . 11332 1 353 . 1 1 34 34 CYS HB3 H 1 2.597 0.030 . 2 . . . . 34 CYS HB3 . 11332 1 354 . 1 1 34 34 CYS C C 13 174.895 0.300 . 1 . . . . 34 CYS C . 11332 1 355 . 1 1 34 34 CYS CA C 13 56.917 0.300 . 1 . . . . 34 CYS CA . 11332 1 356 . 1 1 34 34 CYS CB C 13 33.827 0.300 . 1 . . . . 34 CYS CB . 11332 1 357 . 1 1 34 34 CYS N N 15 111.644 0.300 . 1 . . . . 34 CYS N . 11332 1 358 . 1 1 35 35 LEU H H 1 8.122 0.030 . 1 . . . . 35 LEU H . 11332 1 359 . 1 1 35 35 LEU HA H 1 3.850 0.030 . 1 . . . . 35 LEU HA . 11332 1 360 . 1 1 35 35 LEU HB2 H 1 1.943 0.030 . 2 . . . . 35 LEU HB2 . 11332 1 361 . 1 1 35 35 LEU HB3 H 1 1.524 0.030 . 2 . . . . 35 LEU HB3 . 11332 1 362 . 1 1 35 35 LEU HD11 H 1 0.828 0.030 . 1 . . . . 35 LEU HD1 . 11332 1 363 . 1 1 35 35 LEU HD12 H 1 0.828 0.030 . 1 . . . . 35 LEU HD1 . 11332 1 364 . 1 1 35 35 LEU HD13 H 1 0.828 0.030 . 1 . . . . 35 LEU HD1 . 11332 1 365 . 1 1 35 35 LEU HD21 H 1 0.793 0.030 . 1 . . . . 35 LEU HD2 . 11332 1 366 . 1 1 35 35 LEU HD22 H 1 0.793 0.030 . 1 . . . . 35 LEU HD2 . 11332 1 367 . 1 1 35 35 LEU HD23 H 1 0.793 0.030 . 1 . . . . 35 LEU HD2 . 11332 1 368 . 1 1 35 35 LEU HG H 1 1.380 0.030 . 1 . . . . 35 LEU HG . 11332 1 369 . 1 1 35 35 LEU C C 13 176.465 0.300 . 1 . . . . 35 LEU C . 11332 1 370 . 1 1 35 35 LEU CA C 13 56.601 0.300 . 1 . . . . 35 LEU CA . 11332 1 371 . 1 1 35 35 LEU CB C 13 38.016 0.300 . 1 . . . . 35 LEU CB . 11332 1 372 . 1 1 35 35 LEU CD1 C 13 25.397 0.300 . 2 . . . . 35 LEU CD1 . 11332 1 373 . 1 1 35 35 LEU CD2 C 13 23.104 0.300 . 2 . . . . 35 LEU CD2 . 11332 1 374 . 1 1 35 35 LEU CG C 13 27.073 0.300 . 1 . . . . 35 LEU CG . 11332 1 375 . 1 1 35 35 LEU N N 15 117.653 0.300 . 1 . . . . 35 LEU N . 11332 1 376 . 1 1 36 36 HIS H H 1 8.212 0.030 . 1 . . . . 36 HIS H . 11332 1 377 . 1 1 36 36 HIS HA H 1 4.649 0.030 . 1 . . . . 36 HIS HA . 11332 1 378 . 1 1 36 36 HIS HB2 H 1 2.827 0.030 . 2 . . . . 36 HIS HB2 . 11332 1 379 . 1 1 36 36 HIS HB3 H 1 3.568 0.030 . 2 . . . . 36 HIS HB3 . 11332 1 380 . 1 1 36 36 HIS HD2 H 1 7.216 0.030 . 1 . . . . 36 HIS HD2 . 11332 1 381 . 1 1 36 36 HIS HE1 H 1 7.875 0.030 . 1 . . . . 36 HIS HE1 . 11332 1 382 . 1 1 36 36 HIS C C 13 174.021 0.300 . 1 . . . . 36 HIS C . 11332 1 383 . 1 1 36 36 HIS CA C 13 59.269 0.300 . 1 . . . . 36 HIS CA . 11332 1 384 . 1 1 36 36 HIS CB C 13 31.015 0.300 . 1 . . . . 36 HIS CB . 11332 1 385 . 1 1 36 36 HIS CD2 C 13 118.458 0.300 . 1 . . . . 36 HIS CD2 . 11332 1 386 . 1 1 36 36 HIS CE1 C 13 138.150 0.300 . 1 . . . . 36 HIS CE1 . 11332 1 387 . 1 1 36 36 HIS N N 15 121.781 0.300 . 1 . . . . 36 HIS N . 11332 1 388 . 1 1 37 37 THR H H 1 7.955 0.030 . 1 . . . . 37 THR H . 11332 1 389 . 1 1 37 37 THR HA H 1 5.155 0.030 . 1 . . . . 37 THR HA . 11332 1 390 . 1 1 37 37 THR HB H 1 3.528 0.030 . 1 . . . . 37 THR HB . 11332 1 391 . 1 1 37 37 THR HG21 H 1 1.022 0.030 . 1 . . . . 37 THR HG2 . 11332 1 392 . 1 1 37 37 THR HG22 H 1 1.022 0.030 . 1 . . . . 37 THR HG2 . 11332 1 393 . 1 1 37 37 THR HG23 H 1 1.022 0.030 . 1 . . . . 37 THR HG2 . 11332 1 394 . 1 1 37 37 THR C C 13 172.132 0.300 . 1 . . . . 37 THR C . 11332 1 395 . 1 1 37 37 THR CA C 13 61.888 0.300 . 1 . . . . 37 THR CA . 11332 1 396 . 1 1 37 37 THR CB C 13 71.268 0.300 . 1 . . . . 37 THR CB . 11332 1 397 . 1 1 37 37 THR CG2 C 13 22.292 0.300 . 1 . . . . 37 THR CG2 . 11332 1 398 . 1 1 37 37 THR N N 15 118.000 0.300 . 1 . . . . 37 THR N . 11332 1 399 . 1 1 38 38 PHE H H 1 8.718 0.030 . 1 . . . . 38 PHE H . 11332 1 400 . 1 1 38 38 PHE HA H 1 5.081 0.030 . 1 . . . . 38 PHE HA . 11332 1 401 . 1 1 38 38 PHE HB2 H 1 2.294 0.030 . 2 . . . . 38 PHE HB2 . 11332 1 402 . 1 1 38 38 PHE HB3 H 1 3.430 0.030 . 2 . . . . 38 PHE HB3 . 11332 1 403 . 1 1 38 38 PHE HD1 H 1 7.270 0.030 . 1 . . . . 38 PHE HD1 . 11332 1 404 . 1 1 38 38 PHE HD2 H 1 7.270 0.030 . 1 . . . . 38 PHE HD2 . 11332 1 405 . 1 1 38 38 PHE HE1 H 1 7.184 0.030 . 1 . . . . 38 PHE HE1 . 11332 1 406 . 1 1 38 38 PHE HE2 H 1 7.184 0.030 . 1 . . . . 38 PHE HE2 . 11332 1 407 . 1 1 38 38 PHE C C 13 174.666 0.300 . 1 . . . . 38 PHE C . 11332 1 408 . 1 1 38 38 PHE CA C 13 55.910 0.300 . 1 . . . . 38 PHE CA . 11332 1 409 . 1 1 38 38 PHE CB C 13 45.808 0.300 . 1 . . . . 38 PHE CB . 11332 1 410 . 1 1 38 38 PHE CD1 C 13 130.909 0.300 . 1 . . . . 38 PHE CD1 . 11332 1 411 . 1 1 38 38 PHE CD2 C 13 130.909 0.300 . 1 . . . . 38 PHE CD2 . 11332 1 412 . 1 1 38 38 PHE CE1 C 13 129.764 0.300 . 1 . . . . 38 PHE CE1 . 11332 1 413 . 1 1 38 38 PHE CE2 C 13 129.764 0.300 . 1 . . . . 38 PHE CE2 . 11332 1 414 . 1 1 38 38 PHE N N 15 122.991 0.300 . 1 . . . . 38 PHE N . 11332 1 415 . 1 1 39 39 CYS H H 1 8.876 0.030 . 1 . . . . 39 CYS H . 11332 1 416 . 1 1 39 39 CYS HA H 1 4.268 0.030 . 1 . . . . 39 CYS HA . 11332 1 417 . 1 1 39 39 CYS HB2 H 1 3.404 0.030 . 2 . . . . 39 CYS HB2 . 11332 1 418 . 1 1 39 39 CYS HB3 H 1 3.577 0.030 . 2 . . . . 39 CYS HB3 . 11332 1 419 . 1 1 39 39 CYS C C 13 177.900 0.300 . 1 . . . . 39 CYS C . 11332 1 420 . 1 1 39 39 CYS CA C 13 60.501 0.300 . 1 . . . . 39 CYS CA . 11332 1 421 . 1 1 39 39 CYS CB C 13 31.647 0.300 . 1 . . . . 39 CYS CB . 11332 1 422 . 1 1 39 39 CYS N N 15 124.523 0.300 . 1 . . . . 39 CYS N . 11332 1 423 . 1 1 40 40 LYS H H 1 7.914 0.030 . 1 . . . . 40 LYS H . 11332 1 424 . 1 1 40 40 LYS HA H 1 3.980 0.030 . 1 . . . . 40 LYS HA . 11332 1 425 . 1 1 40 40 LYS HB2 H 1 1.891 0.030 . 2 . . . . 40 LYS HB2 . 11332 1 426 . 1 1 40 40 LYS HB3 H 1 2.393 0.030 . 2 . . . . 40 LYS HB3 . 11332 1 427 . 1 1 40 40 LYS HD2 H 1 1.719 0.030 . 1 . . . . 40 LYS HD2 . 11332 1 428 . 1 1 40 40 LYS HD3 H 1 1.719 0.030 . 1 . . . . 40 LYS HD3 . 11332 1 429 . 1 1 40 40 LYS HE2 H 1 2.942 0.030 . 1 . . . . 40 LYS HE2 . 11332 1 430 . 1 1 40 40 LYS HE3 H 1 2.942 0.030 . 1 . . . . 40 LYS HE3 . 11332 1 431 . 1 1 40 40 LYS HG2 H 1 1.433 0.030 . 2 . . . . 40 LYS HG2 . 11332 1 432 . 1 1 40 40 LYS HG3 H 1 1.368 0.030 . 2 . . . . 40 LYS HG3 . 11332 1 433 . 1 1 40 40 LYS C C 13 178.283 0.300 . 1 . . . . 40 LYS C . 11332 1 434 . 1 1 40 40 LYS CA C 13 60.664 0.300 . 1 . . . . 40 LYS CA . 11332 1 435 . 1 1 40 40 LYS CB C 13 32.546 0.300 . 1 . . . . 40 LYS CB . 11332 1 436 . 1 1 40 40 LYS CD C 13 29.214 0.300 . 1 . . . . 40 LYS CD . 11332 1 437 . 1 1 40 40 LYS CE C 13 42.084 0.300 . 1 . . . . 40 LYS CE . 11332 1 438 . 1 1 40 40 LYS CG C 13 24.622 0.300 . 1 . . . . 40 LYS CG . 11332 1 439 . 1 1 40 40 LYS N N 15 124.158 0.300 . 1 . . . . 40 LYS N . 11332 1 440 . 1 1 41 41 SER H H 1 9.023 0.030 . 1 . . . . 41 SER H . 11332 1 441 . 1 1 41 41 SER HA H 1 4.090 0.030 . 1 . . . . 41 SER HA . 11332 1 442 . 1 1 41 41 SER HB2 H 1 3.964 0.030 . 2 . . . . 41 SER HB2 . 11332 1 443 . 1 1 41 41 SER HB3 H 1 3.927 0.030 . 2 . . . . 41 SER HB3 . 11332 1 444 . 1 1 41 41 SER C C 13 177.558 0.300 . 1 . . . . 41 SER C . 11332 1 445 . 1 1 41 41 SER CA C 13 61.483 0.300 . 1 . . . . 41 SER CA . 11332 1 446 . 1 1 41 41 SER CB C 13 62.562 0.300 . 1 . . . . 41 SER CB . 11332 1 447 . 1 1 41 41 SER N N 15 110.597 0.300 . 1 . . . . 41 SER N . 11332 1 448 . 1 1 42 42 CYS HA H 1 3.956 0.030 . 1 . . . . 42 CYS HA . 11332 1 449 . 1 1 42 42 CYS HB2 H 1 2.874 0.030 . 2 . . . . 42 CYS HB2 . 11332 1 450 . 1 1 42 42 CYS HB3 H 1 2.987 0.030 . 2 . . . . 42 CYS HB3 . 11332 1 451 . 1 1 42 42 CYS C C 13 177.940 0.300 . 1 . . . . 42 CYS C . 11332 1 452 . 1 1 42 42 CYS CA C 13 63.793 0.300 . 1 . . . . 42 CYS CA . 11332 1 453 . 1 1 42 42 CYS CB C 13 29.837 0.300 . 1 . . . . 42 CYS CB . 11332 1 454 . 1 1 43 43 ILE H H 1 8.257 0.030 . 1 . . . . 43 ILE H . 11332 1 455 . 1 1 43 43 ILE HA H 1 3.824 0.030 . 1 . . . . 43 ILE HA . 11332 1 456 . 1 1 43 43 ILE HB H 1 1.353 0.030 . 1 . . . . 43 ILE HB . 11332 1 457 . 1 1 43 43 ILE HD11 H 1 -0.108 0.030 . 1 . . . . 43 ILE HD1 . 11332 1 458 . 1 1 43 43 ILE HD12 H 1 -0.108 0.030 . 1 . . . . 43 ILE HD1 . 11332 1 459 . 1 1 43 43 ILE HD13 H 1 -0.108 0.030 . 1 . . . . 43 ILE HD1 . 11332 1 460 . 1 1 43 43 ILE HG12 H 1 0.780 0.030 . 2 . . . . 43 ILE HG12 . 11332 1 461 . 1 1 43 43 ILE HG13 H 1 0.720 0.030 . 2 . . . . 43 ILE HG13 . 11332 1 462 . 1 1 43 43 ILE HG21 H 1 1.058 0.030 . 1 . . . . 43 ILE HG2 . 11332 1 463 . 1 1 43 43 ILE HG22 H 1 1.058 0.030 . 1 . . . . 43 ILE HG2 . 11332 1 464 . 1 1 43 43 ILE HG23 H 1 1.058 0.030 . 1 . . . . 43 ILE HG2 . 11332 1 465 . 1 1 43 43 ILE C C 13 175.672 0.300 . 1 . . . . 43 ILE C . 11332 1 466 . 1 1 43 43 ILE CA C 13 59.989 0.300 . 1 . . . . 43 ILE CA . 11332 1 467 . 1 1 43 43 ILE CB C 13 38.575 0.300 . 1 . . . . 43 ILE CB . 11332 1 468 . 1 1 43 43 ILE CD1 C 13 14.126 0.300 . 1 . . . . 43 ILE CD1 . 11332 1 469 . 1 1 43 43 ILE CG1 C 13 29.502 0.300 . 1 . . . . 43 ILE CG1 . 11332 1 470 . 1 1 43 43 ILE CG2 C 13 19.156 0.300 . 1 . . . . 43 ILE CG2 . 11332 1 471 . 1 1 43 43 ILE N N 15 120.667 0.300 . 1 . . . . 43 ILE N . 11332 1 472 . 1 1 44 44 VAL H H 1 8.304 0.030 . 1 . . . . 44 VAL H . 11332 1 473 . 1 1 44 44 VAL HA H 1 3.619 0.030 . 1 . . . . 44 VAL HA . 11332 1 474 . 1 1 44 44 VAL HB H 1 2.053 0.030 . 1 . . . . 44 VAL HB . 11332 1 475 . 1 1 44 44 VAL HG11 H 1 0.905 0.030 . 1 . . . . 44 VAL HG1 . 11332 1 476 . 1 1 44 44 VAL HG12 H 1 0.905 0.030 . 1 . . . . 44 VAL HG1 . 11332 1 477 . 1 1 44 44 VAL HG13 H 1 0.905 0.030 . 1 . . . . 44 VAL HG1 . 11332 1 478 . 1 1 44 44 VAL HG21 H 1 1.087 0.030 . 1 . . . . 44 VAL HG2 . 11332 1 479 . 1 1 44 44 VAL HG22 H 1 1.087 0.030 . 1 . . . . 44 VAL HG2 . 11332 1 480 . 1 1 44 44 VAL HG23 H 1 1.087 0.030 . 1 . . . . 44 VAL HG2 . 11332 1 481 . 1 1 44 44 VAL C C 13 178.541 0.300 . 1 . . . . 44 VAL C . 11332 1 482 . 1 1 44 44 VAL CA C 13 66.918 0.300 . 1 . . . . 44 VAL CA . 11332 1 483 . 1 1 44 44 VAL CB C 13 31.611 0.300 . 1 . . . . 44 VAL CB . 11332 1 484 . 1 1 44 44 VAL CG1 C 13 21.092 0.300 . 2 . . . . 44 VAL CG1 . 11332 1 485 . 1 1 44 44 VAL CG2 C 13 23.721 0.300 . 2 . . . . 44 VAL CG2 . 11332 1 486 . 1 1 44 44 VAL N N 15 123.724 0.300 . 1 . . . . 44 VAL N . 11332 1 487 . 1 1 45 45 ARG H H 1 7.125 0.030 . 1 . . . . 45 ARG H . 11332 1 488 . 1 1 45 45 ARG HA H 1 3.689 0.030 . 1 . . . . 45 ARG HA . 11332 1 489 . 1 1 45 45 ARG HB2 H 1 1.882 0.030 . 1 . . . . 45 ARG HB2 . 11332 1 490 . 1 1 45 45 ARG HB3 H 1 1.882 0.030 . 1 . . . . 45 ARG HB3 . 11332 1 491 . 1 1 45 45 ARG HD2 H 1 3.258 0.030 . 1 . . . . 45 ARG HD2 . 11332 1 492 . 1 1 45 45 ARG HD3 H 1 3.258 0.030 . 1 . . . . 45 ARG HD3 . 11332 1 493 . 1 1 45 45 ARG HG2 H 1 1.836 0.030 . 2 . . . . 45 ARG HG2 . 11332 1 494 . 1 1 45 45 ARG HG3 H 1 1.687 0.030 . 2 . . . . 45 ARG HG3 . 11332 1 495 . 1 1 45 45 ARG C C 13 178.921 0.300 . 1 . . . . 45 ARG C . 11332 1 496 . 1 1 45 45 ARG CA C 13 58.649 0.300 . 1 . . . . 45 ARG CA . 11332 1 497 . 1 1 45 45 ARG CB C 13 29.898 0.300 . 1 . . . . 45 ARG CB . 11332 1 498 . 1 1 45 45 ARG CD C 13 43.540 0.300 . 1 . . . . 45 ARG CD . 11332 1 499 . 1 1 45 45 ARG CG C 13 27.898 0.300 . 1 . . . . 45 ARG CG . 11332 1 500 . 1 1 45 45 ARG N N 15 116.853 0.300 . 1 . . . . 45 ARG N . 11332 1 501 . 1 1 46 46 HIS H H 1 7.661 0.030 . 1 . . . . 46 HIS H . 11332 1 502 . 1 1 46 46 HIS HA H 1 4.245 0.030 . 1 . . . . 46 HIS HA . 11332 1 503 . 1 1 46 46 HIS HB2 H 1 2.958 0.030 . 2 . . . . 46 HIS HB2 . 11332 1 504 . 1 1 46 46 HIS HB3 H 1 2.828 0.030 . 2 . . . . 46 HIS HB3 . 11332 1 505 . 1 1 46 46 HIS HD2 H 1 6.277 0.030 . 1 . . . . 46 HIS HD2 . 11332 1 506 . 1 1 46 46 HIS HE1 H 1 7.732 0.030 . 1 . . . . 46 HIS HE1 . 11332 1 507 . 1 1 46 46 HIS C C 13 178.252 0.300 . 1 . . . . 46 HIS C . 11332 1 508 . 1 1 46 46 HIS CA C 13 60.375 0.300 . 1 . . . . 46 HIS CA . 11332 1 509 . 1 1 46 46 HIS CB C 13 31.278 0.300 . 1 . . . . 46 HIS CB . 11332 1 510 . 1 1 46 46 HIS CD2 C 13 117.814 0.300 . 1 . . . . 46 HIS CD2 . 11332 1 511 . 1 1 46 46 HIS CE1 C 13 138.422 0.300 . 1 . . . . 46 HIS CE1 . 11332 1 512 . 1 1 46 46 HIS N N 15 119.535 0.300 . 1 . . . . 46 HIS N . 11332 1 513 . 1 1 47 47 PHE H H 1 8.110 0.030 . 1 . . . . 47 PHE H . 11332 1 514 . 1 1 47 47 PHE HA H 1 5.547 0.030 . 1 . . . . 47 PHE HA . 11332 1 515 . 1 1 47 47 PHE HB2 H 1 3.140 0.030 . 2 . . . . 47 PHE HB2 . 11332 1 516 . 1 1 47 47 PHE HB3 H 1 3.373 0.030 . 2 . . . . 47 PHE HB3 . 11332 1 517 . 1 1 47 47 PHE HD1 H 1 7.492 0.030 . 1 . . . . 47 PHE HD1 . 11332 1 518 . 1 1 47 47 PHE HD2 H 1 7.492 0.030 . 1 . . . . 47 PHE HD2 . 11332 1 519 . 1 1 47 47 PHE HE1 H 1 7.071 0.030 . 1 . . . . 47 PHE HE1 . 11332 1 520 . 1 1 47 47 PHE HE2 H 1 7.071 0.030 . 1 . . . . 47 PHE HE2 . 11332 1 521 . 1 1 47 47 PHE HZ H 1 6.985 0.030 . 1 . . . . 47 PHE HZ . 11332 1 522 . 1 1 47 47 PHE C C 13 177.495 0.300 . 1 . . . . 47 PHE C . 11332 1 523 . 1 1 47 47 PHE CA C 13 56.061 0.300 . 1 . . . . 47 PHE CA . 11332 1 524 . 1 1 47 47 PHE CB C 13 37.831 0.300 . 1 . . . . 47 PHE CB . 11332 1 525 . 1 1 47 47 PHE CD1 C 13 131.012 0.300 . 1 . . . . 47 PHE CD1 . 11332 1 526 . 1 1 47 47 PHE CD2 C 13 131.012 0.300 . 1 . . . . 47 PHE CD2 . 11332 1 527 . 1 1 47 47 PHE CE1 C 13 130.524 0.300 . 1 . . . . 47 PHE CE1 . 11332 1 528 . 1 1 47 47 PHE CE2 C 13 130.524 0.300 . 1 . . . . 47 PHE CE2 . 11332 1 529 . 1 1 47 47 PHE CZ C 13 128.665 0.300 . 1 . . . . 47 PHE CZ . 11332 1 530 . 1 1 47 47 PHE N N 15 115.876 0.300 . 1 . . . . 47 PHE N . 11332 1 531 . 1 1 48 48 TYR H H 1 7.558 0.030 . 1 . . . . 48 TYR H . 11332 1 532 . 1 1 48 48 TYR HA H 1 4.306 0.030 . 1 . . . . 48 TYR HA . 11332 1 533 . 1 1 48 48 TYR HB2 H 1 2.558 0.030 . 2 . . . . 48 TYR HB2 . 11332 1 534 . 1 1 48 48 TYR HB3 H 1 2.848 0.030 . 2 . . . . 48 TYR HB3 . 11332 1 535 . 1 1 48 48 TYR HD1 H 1 6.854 0.030 . 1 . . . . 48 TYR HD1 . 11332 1 536 . 1 1 48 48 TYR HD2 H 1 6.854 0.030 . 1 . . . . 48 TYR HD2 . 11332 1 537 . 1 1 48 48 TYR HE1 H 1 6.715 0.030 . 1 . . . . 48 TYR HE1 . 11332 1 538 . 1 1 48 48 TYR HE2 H 1 6.715 0.030 . 1 . . . . 48 TYR HE2 . 11332 1 539 . 1 1 48 48 TYR C C 13 177.386 0.300 . 1 . . . . 48 TYR C . 11332 1 540 . 1 1 48 48 TYR CA C 13 59.594 0.300 . 1 . . . . 48 TYR CA . 11332 1 541 . 1 1 48 48 TYR CB C 13 37.177 0.300 . 1 . . . . 48 TYR CB . 11332 1 542 . 1 1 48 48 TYR CD1 C 13 132.507 0.300 . 1 . . . . 48 TYR CD1 . 11332 1 543 . 1 1 48 48 TYR CD2 C 13 132.507 0.300 . 1 . . . . 48 TYR CD2 . 11332 1 544 . 1 1 48 48 TYR CE1 C 13 117.949 0.300 . 1 . . . . 48 TYR CE1 . 11332 1 545 . 1 1 48 48 TYR CE2 C 13 117.949 0.300 . 1 . . . . 48 TYR CE2 . 11332 1 546 . 1 1 48 48 TYR N N 15 119.374 0.300 . 1 . . . . 48 TYR N . 11332 1 547 . 1 1 49 49 TYR H H 1 7.367 0.030 . 1 . . . . 49 TYR H . 11332 1 548 . 1 1 49 49 TYR HA H 1 4.697 0.030 . 1 . . . . 49 TYR HA . 11332 1 549 . 1 1 49 49 TYR HB2 H 1 2.830 0.030 . 2 . . . . 49 TYR HB2 . 11332 1 550 . 1 1 49 49 TYR HB3 H 1 3.194 0.030 . 2 . . . . 49 TYR HB3 . 11332 1 551 . 1 1 49 49 TYR HD1 H 1 7.229 0.030 . 1 . . . . 49 TYR HD1 . 11332 1 552 . 1 1 49 49 TYR HD2 H 1 7.229 0.030 . 1 . . . . 49 TYR HD2 . 11332 1 553 . 1 1 49 49 TYR HE1 H 1 6.857 0.030 . 1 . . . . 49 TYR HE1 . 11332 1 554 . 1 1 49 49 TYR HE2 H 1 6.857 0.030 . 1 . . . . 49 TYR HE2 . 11332 1 555 . 1 1 49 49 TYR C C 13 175.147 0.300 . 1 . . . . 49 TYR C . 11332 1 556 . 1 1 49 49 TYR CA C 13 57.402 0.300 . 1 . . . . 49 TYR CA . 11332 1 557 . 1 1 49 49 TYR CB C 13 40.543 0.300 . 1 . . . . 49 TYR CB . 11332 1 558 . 1 1 49 49 TYR CD1 C 13 133.911 0.300 . 1 . . . . 49 TYR CD1 . 11332 1 559 . 1 1 49 49 TYR CD2 C 13 133.911 0.300 . 1 . . . . 49 TYR CD2 . 11332 1 560 . 1 1 49 49 TYR CE1 C 13 118.501 0.300 . 1 . . . . 49 TYR CE1 . 11332 1 561 . 1 1 49 49 TYR CE2 C 13 118.501 0.300 . 1 . . . . 49 TYR CE2 . 11332 1 562 . 1 1 49 49 TYR N N 15 113.298 0.300 . 1 . . . . 49 TYR N . 11332 1 563 . 1 1 50 50 SER H H 1 7.646 0.030 . 1 . . . . 50 SER H . 11332 1 564 . 1 1 50 50 SER HA H 1 4.614 0.030 . 1 . . . . 50 SER HA . 11332 1 565 . 1 1 50 50 SER HB2 H 1 2.550 0.030 . 2 . . . . 50 SER HB2 . 11332 1 566 . 1 1 50 50 SER HB3 H 1 3.488 0.030 . 2 . . . . 50 SER HB3 . 11332 1 567 . 1 1 50 50 SER C C 13 172.606 0.300 . 1 . . . . 50 SER C . 11332 1 568 . 1 1 50 50 SER CA C 13 56.043 0.300 . 1 . . . . 50 SER CA . 11332 1 569 . 1 1 50 50 SER CB C 13 64.192 0.300 . 1 . . . . 50 SER CB . 11332 1 570 . 1 1 50 50 SER N N 15 114.822 0.300 . 1 . . . . 50 SER N . 11332 1 571 . 1 1 51 51 ASN H H 1 7.983 0.030 . 1 . . . . 51 ASN H . 11332 1 572 . 1 1 51 51 ASN HA H 1 4.838 0.030 . 1 . . . . 51 ASN HA . 11332 1 573 . 1 1 51 51 ASN HB2 H 1 2.626 0.030 . 2 . . . . 51 ASN HB2 . 11332 1 574 . 1 1 51 51 ASN HB3 H 1 3.179 0.030 . 2 . . . . 51 ASN HB3 . 11332 1 575 . 1 1 51 51 ASN HD21 H 1 6.735 0.030 . 2 . . . . 51 ASN HD21 . 11332 1 576 . 1 1 51 51 ASN HD22 H 1 7.511 0.030 . 2 . . . . 51 ASN HD22 . 11332 1 577 . 1 1 51 51 ASN C C 13 173.591 0.300 . 1 . . . . 51 ASN C . 11332 1 578 . 1 1 51 51 ASN CA C 13 51.623 0.300 . 1 . . . . 51 ASN CA . 11332 1 579 . 1 1 51 51 ASN CB C 13 37.867 0.300 . 1 . . . . 51 ASN CB . 11332 1 580 . 1 1 51 51 ASN N N 15 122.007 0.300 . 1 . . . . 51 ASN N . 11332 1 581 . 1 1 51 51 ASN ND2 N 15 110.569 0.300 . 1 . . . . 51 ASN ND2 . 11332 1 582 . 1 1 52 52 ARG H H 1 8.174 0.030 . 1 . . . . 52 ARG H . 11332 1 583 . 1 1 52 52 ARG HA H 1 5.439 0.030 . 1 . . . . 52 ARG HA . 11332 1 584 . 1 1 52 52 ARG HB2 H 1 1.427 0.030 . 2 . . . . 52 ARG HB2 . 11332 1 585 . 1 1 52 52 ARG HB3 H 1 1.369 0.030 . 2 . . . . 52 ARG HB3 . 11332 1 586 . 1 1 52 52 ARG HD2 H 1 3.052 0.030 . 2 . . . . 52 ARG HD2 . 11332 1 587 . 1 1 52 52 ARG HD3 H 1 2.959 0.030 . 2 . . . . 52 ARG HD3 . 11332 1 588 . 1 1 52 52 ARG HG2 H 1 1.586 0.030 . 2 . . . . 52 ARG HG2 . 11332 1 589 . 1 1 52 52 ARG HG3 H 1 1.291 0.030 . 2 . . . . 52 ARG HG3 . 11332 1 590 . 1 1 52 52 ARG C C 13 176.449 0.300 . 1 . . . . 52 ARG C . 11332 1 591 . 1 1 52 52 ARG CA C 13 53.116 0.300 . 1 . . . . 52 ARG CA . 11332 1 592 . 1 1 52 52 ARG CB C 13 33.969 0.300 . 1 . . . . 52 ARG CB . 11332 1 593 . 1 1 52 52 ARG CD C 13 42.979 0.300 . 1 . . . . 52 ARG CD . 11332 1 594 . 1 1 52 52 ARG CG C 13 28.306 0.300 . 1 . . . . 52 ARG CG . 11332 1 595 . 1 1 52 52 ARG N N 15 116.745 0.300 . 1 . . . . 52 ARG N . 11332 1 596 . 1 1 53 53 CYS H H 1 8.846 0.030 . 1 . . . . 53 CYS H . 11332 1 597 . 1 1 53 53 CYS HA H 1 4.322 0.030 . 1 . . . . 53 CYS HA . 11332 1 598 . 1 1 53 53 CYS HB2 H 1 3.261 0.030 . 2 . . . . 53 CYS HB2 . 11332 1 599 . 1 1 53 53 CYS HB3 H 1 3.039 0.030 . 2 . . . . 53 CYS HB3 . 11332 1 600 . 1 1 53 53 CYS C C 13 176.887 0.300 . 1 . . . . 53 CYS C . 11332 1 601 . 1 1 53 53 CYS CA C 13 57.064 0.300 . 1 . . . . 53 CYS CA . 11332 1 602 . 1 1 53 53 CYS CB C 13 31.545 0.300 . 1 . . . . 53 CYS CB . 11332 1 603 . 1 1 53 53 CYS N N 15 124.098 0.300 . 1 . . . . 53 CYS N . 11332 1 604 . 1 1 54 54 PRO HA H 1 4.100 0.030 . 1 . . . . 54 PRO HA . 11332 1 605 . 1 1 54 54 PRO HB2 H 1 1.355 0.030 . 2 . . . . 54 PRO HB2 . 11332 1 606 . 1 1 54 54 PRO HB3 H 1 1.505 0.030 . 2 . . . . 54 PRO HB3 . 11332 1 607 . 1 1 54 54 PRO HD2 H 1 3.498 0.030 . 2 . . . . 54 PRO HD2 . 11332 1 608 . 1 1 54 54 PRO HD3 H 1 3.034 0.030 . 2 . . . . 54 PRO HD3 . 11332 1 609 . 1 1 54 54 PRO HG2 H 1 -0.023 0.030 . 2 . . . . 54 PRO HG2 . 11332 1 610 . 1 1 54 54 PRO HG3 H 1 0.726 0.030 . 2 . . . . 54 PRO HG3 . 11332 1 611 . 1 1 54 54 PRO C C 13 176.493 0.300 . 1 . . . . 54 PRO C . 11332 1 612 . 1 1 54 54 PRO CA C 13 64.184 0.300 . 1 . . . . 54 PRO CA . 11332 1 613 . 1 1 54 54 PRO CB C 13 31.542 0.300 . 1 . . . . 54 PRO CB . 11332 1 614 . 1 1 54 54 PRO CD C 13 50.380 0.300 . 1 . . . . 54 PRO CD . 11332 1 615 . 1 1 54 54 PRO CG C 13 25.654 0.300 . 1 . . . . 54 PRO CG . 11332 1 616 . 1 1 55 55 LYS H H 1 9.378 0.030 . 1 . . . . 55 LYS H . 11332 1 617 . 1 1 55 55 LYS HA H 1 4.348 0.030 . 1 . . . . 55 LYS HA . 11332 1 618 . 1 1 55 55 LYS HB2 H 1 1.441 0.030 . 1 . . . . 55 LYS HB2 . 11332 1 619 . 1 1 55 55 LYS HB3 H 1 1.441 0.030 . 1 . . . . 55 LYS HB3 . 11332 1 620 . 1 1 55 55 LYS HD2 H 1 1.017 0.030 . 2 . . . . 55 LYS HD2 . 11332 1 621 . 1 1 55 55 LYS HD3 H 1 1.328 0.030 . 2 . . . . 55 LYS HD3 . 11332 1 622 . 1 1 55 55 LYS HE2 H 1 2.748 0.030 . 1 . . . . 55 LYS HE2 . 11332 1 623 . 1 1 55 55 LYS HE3 H 1 2.748 0.030 . 1 . . . . 55 LYS HE3 . 11332 1 624 . 1 1 55 55 LYS HG2 H 1 1.126 0.030 . 2 . . . . 55 LYS HG2 . 11332 1 625 . 1 1 55 55 LYS HG3 H 1 0.822 0.030 . 2 . . . . 55 LYS HG3 . 11332 1 626 . 1 1 55 55 LYS C C 13 177.044 0.300 . 1 . . . . 55 LYS C . 11332 1 627 . 1 1 55 55 LYS CA C 13 57.778 0.300 . 1 . . . . 55 LYS CA . 11332 1 628 . 1 1 55 55 LYS CB C 13 33.891 0.300 . 1 . . . . 55 LYS CB . 11332 1 629 . 1 1 55 55 LYS CD C 13 28.532 0.300 . 1 . . . . 55 LYS CD . 11332 1 630 . 1 1 55 55 LYS CE C 13 41.812 0.300 . 1 . . . . 55 LYS CE . 11332 1 631 . 1 1 55 55 LYS CG C 13 24.657 0.300 . 1 . . . . 55 LYS CG . 11332 1 632 . 1 1 55 55 LYS N N 15 120.982 0.300 . 1 . . . . 55 LYS N . 11332 1 633 . 1 1 56 56 CYS H H 1 8.570 0.030 . 1 . . . . 56 CYS H . 11332 1 634 . 1 1 56 56 CYS HA H 1 5.016 0.030 . 1 . . . . 56 CYS HA . 11332 1 635 . 1 1 56 56 CYS HB2 H 1 2.703 0.030 . 2 . . . . 56 CYS HB2 . 11332 1 636 . 1 1 56 56 CYS HB3 H 1 3.399 0.030 . 2 . . . . 56 CYS HB3 . 11332 1 637 . 1 1 56 56 CYS C C 13 176.456 0.300 . 1 . . . . 56 CYS C . 11332 1 638 . 1 1 56 56 CYS CA C 13 58.822 0.300 . 1 . . . . 56 CYS CA . 11332 1 639 . 1 1 56 56 CYS CB C 13 32.512 0.300 . 1 . . . . 56 CYS CB . 11332 1 640 . 1 1 56 56 CYS N N 15 118.789 0.300 . 1 . . . . 56 CYS N . 11332 1 641 . 1 1 57 57 ASN H H 1 8.316 0.030 . 1 . . . . 57 ASN H . 11332 1 642 . 1 1 57 57 ASN HA H 1 4.556 0.030 . 1 . . . . 57 ASN HA . 11332 1 643 . 1 1 57 57 ASN HB2 H 1 2.613 0.030 . 2 . . . . 57 ASN HB2 . 11332 1 644 . 1 1 57 57 ASN HB3 H 1 3.263 0.030 . 2 . . . . 57 ASN HB3 . 11332 1 645 . 1 1 57 57 ASN HD21 H 1 7.658 0.030 . 2 . . . . 57 ASN HD21 . 11332 1 646 . 1 1 57 57 ASN HD22 H 1 6.885 0.030 . 2 . . . . 57 ASN HD22 . 11332 1 647 . 1 1 57 57 ASN C C 13 174.194 0.300 . 1 . . . . 57 ASN C . 11332 1 648 . 1 1 57 57 ASN CA C 13 55.031 0.300 . 1 . . . . 57 ASN CA . 11332 1 649 . 1 1 57 57 ASN CB C 13 40.002 0.300 . 1 . . . . 57 ASN CB . 11332 1 650 . 1 1 57 57 ASN N N 15 120.205 0.300 . 1 . . . . 57 ASN N . 11332 1 651 . 1 1 57 57 ASN ND2 N 15 112.715 0.300 . 1 . . . . 57 ASN ND2 . 11332 1 652 . 1 1 58 58 ILE H H 1 7.718 0.030 . 1 . . . . 58 ILE H . 11332 1 653 . 1 1 58 58 ILE HA H 1 4.280 0.030 . 1 . . . . 58 ILE HA . 11332 1 654 . 1 1 58 58 ILE HB H 1 2.026 0.030 . 1 . . . . 58 ILE HB . 11332 1 655 . 1 1 58 58 ILE HD11 H 1 0.878 0.030 . 1 . . . . 58 ILE HD1 . 11332 1 656 . 1 1 58 58 ILE HD12 H 1 0.878 0.030 . 1 . . . . 58 ILE HD1 . 11332 1 657 . 1 1 58 58 ILE HD13 H 1 0.878 0.030 . 1 . . . . 58 ILE HD1 . 11332 1 658 . 1 1 58 58 ILE HG12 H 1 1.454 0.030 . 1 . . . . 58 ILE HG12 . 11332 1 659 . 1 1 58 58 ILE HG13 H 1 1.454 0.030 . 1 . . . . 58 ILE HG13 . 11332 1 660 . 1 1 58 58 ILE HG21 H 1 0.978 0.030 . 1 . . . . 58 ILE HG2 . 11332 1 661 . 1 1 58 58 ILE HG22 H 1 0.978 0.030 . 1 . . . . 58 ILE HG2 . 11332 1 662 . 1 1 58 58 ILE HG23 H 1 0.978 0.030 . 1 . . . . 58 ILE HG2 . 11332 1 663 . 1 1 58 58 ILE C C 13 175.213 0.300 . 1 . . . . 58 ILE C . 11332 1 664 . 1 1 58 58 ILE CA C 13 62.383 0.300 . 1 . . . . 58 ILE CA . 11332 1 665 . 1 1 58 58 ILE CB C 13 39.213 0.300 . 1 . . . . 58 ILE CB . 11332 1 666 . 1 1 58 58 ILE CD1 C 13 14.846 0.300 . 1 . . . . 58 ILE CD1 . 11332 1 667 . 1 1 58 58 ILE CG1 C 13 27.741 0.300 . 1 . . . . 58 ILE CG1 . 11332 1 668 . 1 1 58 58 ILE CG2 C 13 18.435 0.300 . 1 . . . . 58 ILE CG2 . 11332 1 669 . 1 1 58 58 ILE N N 15 118.765 0.300 . 1 . . . . 58 ILE N . 11332 1 670 . 1 1 59 59 VAL H H 1 8.109 0.030 . 1 . . . . 59 VAL H . 11332 1 671 . 1 1 59 59 VAL HA H 1 3.857 0.030 . 1 . . . . 59 VAL HA . 11332 1 672 . 1 1 59 59 VAL HB H 1 1.802 0.030 . 1 . . . . 59 VAL HB . 11332 1 673 . 1 1 59 59 VAL HG11 H 1 0.629 0.030 . 1 . . . . 59 VAL HG1 . 11332 1 674 . 1 1 59 59 VAL HG12 H 1 0.629 0.030 . 1 . . . . 59 VAL HG1 . 11332 1 675 . 1 1 59 59 VAL HG13 H 1 0.629 0.030 . 1 . . . . 59 VAL HG1 . 11332 1 676 . 1 1 59 59 VAL HG21 H 1 0.919 0.030 . 1 . . . . 59 VAL HG2 . 11332 1 677 . 1 1 59 59 VAL HG22 H 1 0.919 0.030 . 1 . . . . 59 VAL HG2 . 11332 1 678 . 1 1 59 59 VAL HG23 H 1 0.919 0.030 . 1 . . . . 59 VAL HG2 . 11332 1 679 . 1 1 59 59 VAL C C 13 175.585 0.300 . 1 . . . . 59 VAL C . 11332 1 680 . 1 1 59 59 VAL CA C 13 64.088 0.300 . 1 . . . . 59 VAL CA . 11332 1 681 . 1 1 59 59 VAL CB C 13 31.700 0.300 . 1 . . . . 59 VAL CB . 11332 1 682 . 1 1 59 59 VAL CG1 C 13 21.111 0.300 . 2 . . . . 59 VAL CG1 . 11332 1 683 . 1 1 59 59 VAL CG2 C 13 21.790 0.300 . 2 . . . . 59 VAL CG2 . 11332 1 684 . 1 1 59 59 VAL N N 15 123.024 0.300 . 1 . . . . 59 VAL N . 11332 1 685 . 1 1 60 60 VAL H H 1 8.537 0.030 . 1 . . . . 60 VAL H . 11332 1 686 . 1 1 60 60 VAL HA H 1 3.975 0.030 . 1 . . . . 60 VAL HA . 11332 1 687 . 1 1 60 60 VAL HB H 1 1.752 0.030 . 1 . . . . 60 VAL HB . 11332 1 688 . 1 1 60 60 VAL HG11 H 1 0.852 0.030 . 1 . . . . 60 VAL HG1 . 11332 1 689 . 1 1 60 60 VAL HG12 H 1 0.852 0.030 . 1 . . . . 60 VAL HG1 . 11332 1 690 . 1 1 60 60 VAL HG13 H 1 0.852 0.030 . 1 . . . . 60 VAL HG1 . 11332 1 691 . 1 1 60 60 VAL HG21 H 1 0.938 0.030 . 1 . . . . 60 VAL HG2 . 11332 1 692 . 1 1 60 60 VAL HG22 H 1 0.938 0.030 . 1 . . . . 60 VAL HG2 . 11332 1 693 . 1 1 60 60 VAL HG23 H 1 0.938 0.030 . 1 . . . . 60 VAL HG2 . 11332 1 694 . 1 1 60 60 VAL C C 13 175.681 0.300 . 1 . . . . 60 VAL C . 11332 1 695 . 1 1 60 60 VAL CA C 13 61.408 0.300 . 1 . . . . 60 VAL CA . 11332 1 696 . 1 1 60 60 VAL CB C 13 32.944 0.300 . 1 . . . . 60 VAL CB . 11332 1 697 . 1 1 60 60 VAL CG1 C 13 21.752 0.300 . 2 . . . . 60 VAL CG1 . 11332 1 698 . 1 1 60 60 VAL CG2 C 13 21.385 0.300 . 2 . . . . 60 VAL CG2 . 11332 1 699 . 1 1 60 60 VAL N N 15 127.210 0.300 . 1 . . . . 60 VAL N . 11332 1 700 . 1 1 61 61 HIS H H 1 8.755 0.030 . 1 . . . . 61 HIS H . 11332 1 701 . 1 1 61 61 HIS HA H 1 4.506 0.030 . 1 . . . . 61 HIS HA . 11332 1 702 . 1 1 61 61 HIS HB2 H 1 3.000 0.030 . 2 . . . . 61 HIS HB2 . 11332 1 703 . 1 1 61 61 HIS HB3 H 1 3.113 0.030 . 2 . . . . 61 HIS HB3 . 11332 1 704 . 1 1 61 61 HIS HD2 H 1 7.007 0.030 . 1 . . . . 61 HIS HD2 . 11332 1 705 . 1 1 61 61 HIS C C 13 175.402 0.300 . 1 . . . . 61 HIS C . 11332 1 706 . 1 1 61 61 HIS CA C 13 56.669 0.300 . 1 . . . . 61 HIS CA . 11332 1 707 . 1 1 61 61 HIS CB C 13 30.674 0.300 . 1 . . . . 61 HIS CB . 11332 1 708 . 1 1 61 61 HIS CD2 C 13 119.966 0.300 . 1 . . . . 61 HIS CD2 . 11332 1 709 . 1 1 61 61 HIS N N 15 124.670 0.300 . 1 . . . . 61 HIS N . 11332 1 710 . 1 1 62 62 GLN H H 1 8.439 0.030 . 1 . . . . 62 GLN H . 11332 1 711 . 1 1 62 62 GLN HA H 1 4.333 0.030 . 1 . . . . 62 GLN HA . 11332 1 712 . 1 1 62 62 GLN HB2 H 1 1.879 0.030 . 2 . . . . 62 GLN HB2 . 11332 1 713 . 1 1 62 62 GLN HB3 H 1 2.021 0.030 . 2 . . . . 62 GLN HB3 . 11332 1 714 . 1 1 62 62 GLN HE21 H 1 6.542 0.030 . 2 . . . . 62 GLN HE21 . 11332 1 715 . 1 1 62 62 GLN HE22 H 1 7.377 0.030 . 2 . . . . 62 GLN HE22 . 11332 1 716 . 1 1 62 62 GLN HG2 H 1 2.224 0.030 . 1 . . . . 62 GLN HG2 . 11332 1 717 . 1 1 62 62 GLN HG3 H 1 2.224 0.030 . 1 . . . . 62 GLN HG3 . 11332 1 718 . 1 1 62 62 GLN C C 13 175.508 0.300 . 1 . . . . 62 GLN C . 11332 1 719 . 1 1 62 62 GLN CA C 13 55.609 0.300 . 1 . . . . 62 GLN CA . 11332 1 720 . 1 1 62 62 GLN CB C 13 29.708 0.300 . 1 . . . . 62 GLN CB . 11332 1 721 . 1 1 62 62 GLN CG C 13 33.742 0.300 . 1 . . . . 62 GLN CG . 11332 1 722 . 1 1 62 62 GLN N N 15 121.881 0.300 . 1 . . . . 62 GLN N . 11332 1 723 . 1 1 62 62 GLN NE2 N 15 111.931 0.300 . 1 . . . . 62 GLN NE2 . 11332 1 724 . 1 1 63 63 THR H H 1 8.108 0.030 . 1 . . . . 63 THR H . 11332 1 725 . 1 1 63 63 THR HA H 1 4.279 0.030 . 1 . . . . 63 THR HA . 11332 1 726 . 1 1 63 63 THR HB H 1 4.086 0.030 . 1 . . . . 63 THR HB . 11332 1 727 . 1 1 63 63 THR HG21 H 1 1.027 0.030 . 1 . . . . 63 THR HG2 . 11332 1 728 . 1 1 63 63 THR HG22 H 1 1.027 0.030 . 1 . . . . 63 THR HG2 . 11332 1 729 . 1 1 63 63 THR HG23 H 1 1.027 0.030 . 1 . . . . 63 THR HG2 . 11332 1 730 . 1 1 63 63 THR C C 13 174.378 0.300 . 1 . . . . 63 THR C . 11332 1 731 . 1 1 63 63 THR CA C 13 61.743 0.300 . 1 . . . . 63 THR CA . 11332 1 732 . 1 1 63 63 THR CB C 13 69.828 0.300 . 1 . . . . 63 THR CB . 11332 1 733 . 1 1 63 63 THR CG2 C 13 21.741 0.300 . 1 . . . . 63 THR CG2 . 11332 1 734 . 1 1 63 63 THR N N 15 114.782 0.300 . 1 . . . . 63 THR N . 11332 1 735 . 1 1 64 64 GLN H H 1 8.464 0.030 . 1 . . . . 64 GLN H . 11332 1 736 . 1 1 64 64 GLN HA H 1 4.644 0.030 . 1 . . . . 64 GLN HA . 11332 1 737 . 1 1 64 64 GLN HB2 H 1 1.933 0.030 . 2 . . . . 64 GLN HB2 . 11332 1 738 . 1 1 64 64 GLN HB3 H 1 2.074 0.030 . 2 . . . . 64 GLN HB3 . 11332 1 739 . 1 1 64 64 GLN HE21 H 1 7.515 0.030 . 2 . . . . 64 GLN HE21 . 11332 1 740 . 1 1 64 64 GLN HE22 H 1 6.892 0.030 . 2 . . . . 64 GLN HE22 . 11332 1 741 . 1 1 64 64 GLN HG2 H 1 2.328 0.030 . 1 . . . . 64 GLN HG2 . 11332 1 742 . 1 1 64 64 GLN HG3 H 1 2.328 0.030 . 1 . . . . 64 GLN HG3 . 11332 1 743 . 1 1 64 64 GLN C C 13 173.758 0.300 . 1 . . . . 64 GLN C . 11332 1 744 . 1 1 64 64 GLN CA C 13 54.009 0.300 . 1 . . . . 64 GLN CA . 11332 1 745 . 1 1 64 64 GLN CB C 13 29.000 0.300 . 1 . . . . 64 GLN CB . 11332 1 746 . 1 1 64 64 GLN CG C 13 33.410 0.300 . 1 . . . . 64 GLN CG . 11332 1 747 . 1 1 64 64 GLN N N 15 122.454 0.300 . 1 . . . . 64 GLN N . 11332 1 748 . 1 1 64 64 GLN NE2 N 15 112.440 0.300 . 1 . . . . 64 GLN NE2 . 11332 1 749 . 1 1 65 65 PRO HA H 1 4.452 0.030 . 1 . . . . 65 PRO HA . 11332 1 750 . 1 1 65 65 PRO HB2 H 1 1.868 0.030 . 2 . . . . 65 PRO HB2 . 11332 1 751 . 1 1 65 65 PRO HB3 H 1 2.275 0.030 . 2 . . . . 65 PRO HB3 . 11332 1 752 . 1 1 65 65 PRO HD2 H 1 3.625 0.030 . 2 . . . . 65 PRO HD2 . 11332 1 753 . 1 1 65 65 PRO HD3 H 1 3.733 0.030 . 2 . . . . 65 PRO HD3 . 11332 1 754 . 1 1 65 65 PRO HG2 H 1 1.995 0.030 . 1 . . . . 65 PRO HG2 . 11332 1 755 . 1 1 65 65 PRO HG3 H 1 1.995 0.030 . 1 . . . . 65 PRO HG3 . 11332 1 756 . 1 1 65 65 PRO C C 13 176.925 0.300 . 1 . . . . 65 PRO C . 11332 1 757 . 1 1 65 65 PRO CA C 13 63.123 0.300 . 1 . . . . 65 PRO CA . 11332 1 758 . 1 1 65 65 PRO CB C 13 32.089 0.300 . 1 . . . . 65 PRO CB . 11332 1 759 . 1 1 65 65 PRO CD C 13 50.564 0.300 . 1 . . . . 65 PRO CD . 11332 1 760 . 1 1 65 65 PRO CG C 13 27.234 0.300 . 1 . . . . 65 PRO CG . 11332 1 761 . 1 1 66 66 LEU H H 1 8.225 0.030 . 1 . . . . 66 LEU H . 11332 1 762 . 1 1 66 66 LEU HA H 1 4.362 0.030 . 1 . . . . 66 LEU HA . 11332 1 763 . 1 1 66 66 LEU HB2 H 1 1.558 0.030 . 2 . . . . 66 LEU HB2 . 11332 1 764 . 1 1 66 66 LEU HB3 H 1 1.614 0.030 . 2 . . . . 66 LEU HB3 . 11332 1 765 . 1 1 66 66 LEU HD11 H 1 0.837 0.030 . 1 . . . . 66 LEU HD1 . 11332 1 766 . 1 1 66 66 LEU HD12 H 1 0.837 0.030 . 1 . . . . 66 LEU HD1 . 11332 1 767 . 1 1 66 66 LEU HD13 H 1 0.837 0.030 . 1 . . . . 66 LEU HD1 . 11332 1 768 . 1 1 66 66 LEU HD21 H 1 0.890 0.030 . 1 . . . . 66 LEU HD2 . 11332 1 769 . 1 1 66 66 LEU HD22 H 1 0.890 0.030 . 1 . . . . 66 LEU HD2 . 11332 1 770 . 1 1 66 66 LEU HD23 H 1 0.890 0.030 . 1 . . . . 66 LEU HD2 . 11332 1 771 . 1 1 66 66 LEU HG H 1 1.632 0.030 . 1 . . . . 66 LEU HG . 11332 1 772 . 1 1 66 66 LEU C C 13 177.338 0.300 . 1 . . . . 66 LEU C . 11332 1 773 . 1 1 66 66 LEU CA C 13 55.157 0.300 . 1 . . . . 66 LEU CA . 11332 1 774 . 1 1 66 66 LEU CB C 13 42.402 0.300 . 1 . . . . 66 LEU CB . 11332 1 775 . 1 1 66 66 LEU CD1 C 13 23.531 0.300 . 2 . . . . 66 LEU CD1 . 11332 1 776 . 1 1 66 66 LEU CD2 C 13 25.000 0.300 . 2 . . . . 66 LEU CD2 . 11332 1 777 . 1 1 66 66 LEU CG C 13 27.021 0.300 . 1 . . . . 66 LEU CG . 11332 1 778 . 1 1 66 66 LEU N N 15 121.895 0.300 . 1 . . . . 66 LEU N . 11332 1 779 . 1 1 67 67 SER H H 1 8.254 0.030 . 1 . . . . 67 SER H . 11332 1 780 . 1 1 67 67 SER HA H 1 4.488 0.030 . 1 . . . . 67 SER HA . 11332 1 781 . 1 1 67 67 SER HB2 H 1 3.849 0.030 . 1 . . . . 67 SER HB2 . 11332 1 782 . 1 1 67 67 SER HB3 H 1 3.849 0.030 . 1 . . . . 67 SER HB3 . 11332 1 783 . 1 1 67 67 SER C C 13 174.410 0.300 . 1 . . . . 67 SER C . 11332 1 784 . 1 1 67 67 SER CA C 13 58.052 0.300 . 1 . . . . 67 SER CA . 11332 1 785 . 1 1 67 67 SER CB C 13 64.018 0.300 . 1 . . . . 67 SER CB . 11332 1 786 . 1 1 67 67 SER N N 15 115.769 0.300 . 1 . . . . 67 SER N . 11332 1 787 . 1 1 68 68 GLY H H 1 8.198 0.030 . 1 . . . . 68 GLY H . 11332 1 788 . 1 1 68 68 GLY HA2 H 1 4.071 0.030 . 2 . . . . 68 GLY HA2 . 11332 1 789 . 1 1 68 68 GLY HA3 H 1 4.157 0.030 . 2 . . . . 68 GLY HA3 . 11332 1 790 . 1 1 68 68 GLY C C 13 171.707 0.300 . 1 . . . . 68 GLY C . 11332 1 791 . 1 1 68 68 GLY CA C 13 44.675 0.300 . 1 . . . . 68 GLY CA . 11332 1 792 . 1 1 68 68 GLY N N 15 110.514 0.300 . 1 . . . . 68 GLY N . 11332 1 793 . 1 1 69 69 PRO HA H 1 4.452 0.030 . 1 . . . . 69 PRO HA . 11332 1 794 . 1 1 69 69 PRO HB2 H 1 1.961 0.030 . 1 . . . . 69 PRO HB2 . 11332 1 795 . 1 1 69 69 PRO HB3 H 1 1.961 0.030 . 1 . . . . 69 PRO HB3 . 11332 1 796 . 1 1 69 69 PRO HD2 H 1 3.596 0.030 . 1 . . . . 69 PRO HD2 . 11332 1 797 . 1 1 69 69 PRO HD3 H 1 3.596 0.030 . 1 . . . . 69 PRO HD3 . 11332 1 798 . 1 1 69 69 PRO HG2 H 1 1.942 0.030 . 1 . . . . 69 PRO HG2 . 11332 1 799 . 1 1 69 69 PRO HG3 H 1 1.942 0.030 . 1 . . . . 69 PRO HG3 . 11332 1 800 . 1 1 69 69 PRO C C 13 177.395 0.300 . 1 . . . . 69 PRO C . 11332 1 801 . 1 1 69 69 PRO CA C 13 63.102 0.300 . 1 . . . . 69 PRO CA . 11332 1 802 . 1 1 69 69 PRO CB C 13 32.150 0.300 . 1 . . . . 69 PRO CB . 11332 1 803 . 1 1 69 69 PRO CD C 13 49.771 0.300 . 1 . . . . 69 PRO CD . 11332 1 804 . 1 1 69 69 PRO CG C 13 27.472 0.300 . 1 . . . . 69 PRO CG . 11332 1 805 . 1 1 70 70 SER H H 1 8.536 0.030 . 1 . . . . 70 SER H . 11332 1 806 . 1 1 70 70 SER HA H 1 4.490 0.030 . 1 . . . . 70 SER HA . 11332 1 807 . 1 1 70 70 SER HB2 H 1 3.893 0.030 . 1 . . . . 70 SER HB2 . 11332 1 808 . 1 1 70 70 SER HB3 H 1 3.893 0.030 . 1 . . . . 70 SER HB3 . 11332 1 809 . 1 1 70 70 SER C C 13 174.679 0.300 . 1 . . . . 70 SER C . 11332 1 810 . 1 1 70 70 SER CA C 13 58.202 0.300 . 1 . . . . 70 SER CA . 11332 1 811 . 1 1 70 70 SER CB C 13 63.621 0.300 . 1 . . . . 70 SER CB . 11332 1 812 . 1 1 70 70 SER N N 15 116.405 0.300 . 1 . . . . 70 SER N . 11332 1 813 . 1 1 71 71 SER H H 1 8.333 0.030 . 1 . . . . 71 SER H . 11332 1 814 . 1 1 71 71 SER HA H 1 4.482 0.030 . 1 . . . . 71 SER HA . 11332 1 815 . 1 1 71 71 SER HB2 H 1 3.879 0.030 . 1 . . . . 71 SER HB2 . 11332 1 816 . 1 1 71 71 SER HB3 H 1 3.879 0.030 . 1 . . . . 71 SER HB3 . 11332 1 817 . 1 1 71 71 SER C C 13 173.942 0.300 . 1 . . . . 71 SER C . 11332 1 818 . 1 1 71 71 SER CA C 13 58.217 0.300 . 1 . . . . 71 SER CA . 11332 1 819 . 1 1 71 71 SER CB C 13 63.929 0.300 . 1 . . . . 71 SER CB . 11332 1 820 . 1 1 71 71 SER N N 15 117.873 0.300 . 1 . . . . 71 SER N . 11332 1 821 . 1 1 72 72 GLY H H 1 8.052 0.030 . 1 . . . . 72 GLY H . 11332 1 822 . 1 1 72 72 GLY HA2 H 1 3.769 0.030 . 1 . . . . 72 GLY HA2 . 11332 1 823 . 1 1 72 72 GLY HA3 H 1 3.769 0.030 . 1 . . . . 72 GLY HA3 . 11332 1 824 . 1 1 72 72 GLY C C 13 179.011 0.300 . 1 . . . . 72 GLY C . 11332 1 825 . 1 1 72 72 GLY CA C 13 46.186 0.300 . 1 . . . . 72 GLY CA . 11332 1 826 . 1 1 72 72 GLY N N 15 116.869 0.300 . 1 . . . . 72 GLY N . 11332 1 stop_ save_