################################### # 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 11341 _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 13C-separated NOESY' 1 $sample_1 isotropic 11341 1 2 '3D 15N-separated NOESY' 1 $sample_1 isotropic 11341 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 . . 11341 1 2 $NMRPipe . . 11341 1 3 $NMRView . . 11341 1 4 $Kujira . . 11341 1 5 $CYANA . . 11341 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 7 7 GLY HA2 H 1 3.974 0.030 . 1 . . . . 7 GLY HA2 . 11341 1 2 . 1 1 7 7 GLY HA3 H 1 3.974 0.030 . 1 . . . . 7 GLY HA3 . 11341 1 3 . 1 1 7 7 GLY C C 13 173.941 0.300 . 1 . . . . 7 GLY C . 11341 1 4 . 1 1 7 7 GLY CA C 13 45.388 0.300 . 1 . . . . 7 GLY CA . 11341 1 5 . 1 1 8 8 ALA H H 1 8.115 0.030 . 1 . . . . 8 ALA H . 11341 1 6 . 1 1 8 8 ALA HA H 1 4.327 0.030 . 1 . . . . 8 ALA HA . 11341 1 7 . 1 1 8 8 ALA HB1 H 1 1.403 0.030 . 1 . . . . 8 ALA HB . 11341 1 8 . 1 1 8 8 ALA HB2 H 1 1.403 0.030 . 1 . . . . 8 ALA HB . 11341 1 9 . 1 1 8 8 ALA HB3 H 1 1.403 0.030 . 1 . . . . 8 ALA HB . 11341 1 10 . 1 1 8 8 ALA C C 13 177.930 0.300 . 1 . . . . 8 ALA C . 11341 1 11 . 1 1 8 8 ALA CA C 13 52.624 0.300 . 1 . . . . 8 ALA CA . 11341 1 12 . 1 1 8 8 ALA CB C 13 19.293 0.300 . 1 . . . . 8 ALA CB . 11341 1 13 . 1 1 8 8 ALA N N 15 123.751 0.300 . 1 . . . . 8 ALA N . 11341 1 14 . 1 1 9 9 LEU H H 1 8.227 0.030 . 1 . . . . 9 LEU H . 11341 1 15 . 1 1 9 9 LEU HA H 1 4.327 0.030 . 1 . . . . 9 LEU HA . 11341 1 16 . 1 1 9 9 LEU HB2 H 1 1.594 0.030 . 2 . . . . 9 LEU HB2 . 11341 1 17 . 1 1 9 9 LEU HB3 H 1 1.660 0.030 . 2 . . . . 9 LEU HB3 . 11341 1 18 . 1 1 9 9 LEU HD11 H 1 0.929 0.030 . 1 . . . . 9 LEU HD1 . 11341 1 19 . 1 1 9 9 LEU HD12 H 1 0.929 0.030 . 1 . . . . 9 LEU HD1 . 11341 1 20 . 1 1 9 9 LEU HD13 H 1 0.929 0.030 . 1 . . . . 9 LEU HD1 . 11341 1 21 . 1 1 9 9 LEU HD21 H 1 0.870 0.030 . 1 . . . . 9 LEU HD2 . 11341 1 22 . 1 1 9 9 LEU HD22 H 1 0.870 0.030 . 1 . . . . 9 LEU HD2 . 11341 1 23 . 1 1 9 9 LEU HD23 H 1 0.870 0.030 . 1 . . . . 9 LEU HD2 . 11341 1 24 . 1 1 9 9 LEU HG H 1 1.669 0.030 . 1 . . . . 9 LEU HG . 11341 1 25 . 1 1 9 9 LEU C C 13 177.634 0.300 . 1 . . . . 9 LEU C . 11341 1 26 . 1 1 9 9 LEU CA C 13 55.368 0.300 . 1 . . . . 9 LEU CA . 11341 1 27 . 1 1 9 9 LEU CB C 13 42.279 0.300 . 1 . . . . 9 LEU CB . 11341 1 28 . 1 1 9 9 LEU CD1 C 13 25.069 0.300 . 2 . . . . 9 LEU CD1 . 11341 1 29 . 1 1 9 9 LEU CD2 C 13 23.507 0.300 . 2 . . . . 9 LEU CD2 . 11341 1 30 . 1 1 9 9 LEU CG C 13 27.043 0.300 . 1 . . . . 9 LEU CG . 11341 1 31 . 1 1 9 9 LEU N N 15 121.016 0.300 . 1 . . . . 9 LEU N . 11341 1 32 . 1 1 10 10 GLU H H 1 8.329 0.030 . 1 . . . . 10 GLU H . 11341 1 33 . 1 1 10 10 GLU HA H 1 4.244 0.030 . 1 . . . . 10 GLU HA . 11341 1 34 . 1 1 10 10 GLU HB2 H 1 1.970 0.030 . 2 . . . . 10 GLU HB2 . 11341 1 35 . 1 1 10 10 GLU HB3 H 1 2.151 0.030 . 2 . . . . 10 GLU HB3 . 11341 1 36 . 1 1 10 10 GLU HG2 H 1 2.262 0.030 . 2 . . . . 10 GLU HG2 . 11341 1 37 . 1 1 10 10 GLU HG3 H 1 2.168 0.030 . 2 . . . . 10 GLU HG3 . 11341 1 38 . 1 1 10 10 GLU C C 13 176.157 0.300 . 1 . . . . 10 GLU C . 11341 1 39 . 1 1 10 10 GLU CA C 13 56.727 0.300 . 1 . . . . 10 GLU CA . 11341 1 40 . 1 1 10 10 GLU CB C 13 29.794 0.300 . 1 . . . . 10 GLU CB . 11341 1 41 . 1 1 10 10 GLU CG C 13 36.660 0.300 . 1 . . . . 10 GLU CG . 11341 1 42 . 1 1 10 10 GLU N N 15 120.913 0.300 . 1 . . . . 10 GLU N . 11341 1 43 . 1 1 11 11 ASN H H 1 8.389 0.030 . 1 . . . . 11 ASN H . 11341 1 44 . 1 1 11 11 ASN HA H 1 4.695 0.030 . 1 . . . . 11 ASN HA . 11341 1 45 . 1 1 11 11 ASN HB2 H 1 2.858 0.030 . 2 . . . . 11 ASN HB2 . 11341 1 46 . 1 1 11 11 ASN HB3 H 1 2.734 0.030 . 2 . . . . 11 ASN HB3 . 11341 1 47 . 1 1 11 11 ASN HD21 H 1 7.583 0.030 . 2 . . . . 11 ASN HD21 . 11341 1 48 . 1 1 11 11 ASN HD22 H 1 6.896 0.030 . 2 . . . . 11 ASN HD22 . 11341 1 49 . 1 1 11 11 ASN C C 13 174.943 0.300 . 1 . . . . 11 ASN C . 11341 1 50 . 1 1 11 11 ASN CA C 13 53.222 0.300 . 1 . . . . 11 ASN CA . 11341 1 51 . 1 1 11 11 ASN CB C 13 38.668 0.300 . 1 . . . . 11 ASN CB . 11341 1 52 . 1 1 11 11 ASN N N 15 119.030 0.300 . 1 . . . . 11 ASN N . 11341 1 53 . 1 1 11 11 ASN ND2 N 15 112.720 0.300 . 1 . . . . 11 ASN ND2 . 11341 1 54 . 1 1 12 12 LEU H H 1 8.147 0.030 . 1 . . . . 12 LEU H . 11341 1 55 . 1 1 12 12 LEU HA H 1 4.332 0.030 . 1 . . . . 12 LEU HA . 11341 1 56 . 1 1 12 12 LEU HB2 H 1 1.588 0.030 . 2 . . . . 12 LEU HB2 . 11341 1 57 . 1 1 12 12 LEU HB3 H 1 1.653 0.030 . 2 . . . . 12 LEU HB3 . 11341 1 58 . 1 1 12 12 LEU HD11 H 1 0.867 0.030 . 1 . . . . 12 LEU HD1 . 11341 1 59 . 1 1 12 12 LEU HD12 H 1 0.867 0.030 . 1 . . . . 12 LEU HD1 . 11341 1 60 . 1 1 12 12 LEU HD13 H 1 0.867 0.030 . 1 . . . . 12 LEU HD1 . 11341 1 61 . 1 1 12 12 LEU HD21 H 1 0.939 0.030 . 1 . . . . 12 LEU HD2 . 11341 1 62 . 1 1 12 12 LEU HD22 H 1 0.939 0.030 . 1 . . . . 12 LEU HD2 . 11341 1 63 . 1 1 12 12 LEU HD23 H 1 0.939 0.030 . 1 . . . . 12 LEU HD2 . 11341 1 64 . 1 1 12 12 LEU HG H 1 1.594 0.030 . 1 . . . . 12 LEU HG . 11341 1 65 . 1 1 12 12 LEU C C 13 177.175 0.300 . 1 . . . . 12 LEU C . 11341 1 66 . 1 1 12 12 LEU CA C 13 55.335 0.300 . 1 . . . . 12 LEU CA . 11341 1 67 . 1 1 12 12 LEU CB C 13 42.403 0.300 . 1 . . . . 12 LEU CB . 11341 1 68 . 1 1 12 12 LEU CD1 C 13 23.602 0.300 . 2 . . . . 12 LEU CD1 . 11341 1 69 . 1 1 12 12 LEU CD2 C 13 25.024 0.300 . 2 . . . . 12 LEU CD2 . 11341 1 70 . 1 1 12 12 LEU CG C 13 27.069 0.300 . 1 . . . . 12 LEU CG . 11341 1 71 . 1 1 12 12 LEU N N 15 122.467 0.300 . 1 . . . . 12 LEU N . 11341 1 72 . 1 1 13 13 GLN H H 1 8.344 0.030 . 1 . . . . 13 GLN H . 11341 1 73 . 1 1 13 13 GLN HA H 1 4.378 0.030 . 1 . . . . 13 GLN HA . 11341 1 74 . 1 1 13 13 GLN HB2 H 1 2.100 0.030 . 2 . . . . 13 GLN HB2 . 11341 1 75 . 1 1 13 13 GLN HB3 H 1 1.996 0.030 . 2 . . . . 13 GLN HB3 . 11341 1 76 . 1 1 13 13 GLN HE21 H 1 6.845 0.030 . 2 . . . . 13 GLN HE21 . 11341 1 77 . 1 1 13 13 GLN HE22 H 1 7.550 0.030 . 2 . . . . 13 GLN HE22 . 11341 1 78 . 1 1 13 13 GLN HG2 H 1 2.344 0.030 . 1 . . . . 13 GLN HG2 . 11341 1 79 . 1 1 13 13 GLN HG3 H 1 2.344 0.030 . 1 . . . . 13 GLN HG3 . 11341 1 80 . 1 1 13 13 GLN C C 13 175.676 0.300 . 1 . . . . 13 GLN C . 11341 1 81 . 1 1 13 13 GLN CA C 13 55.720 0.300 . 1 . . . . 13 GLN CA . 11341 1 82 . 1 1 13 13 GLN CB C 13 29.335 0.300 . 1 . . . . 13 GLN CB . 11341 1 83 . 1 1 13 13 GLN CG C 13 33.850 0.300 . 1 . . . . 13 GLN CG . 11341 1 84 . 1 1 13 13 GLN N N 15 121.482 0.300 . 1 . . . . 13 GLN N . 11341 1 85 . 1 1 13 13 GLN NE2 N 15 112.584 0.300 . 1 . . . . 13 GLN NE2 . 11341 1 86 . 1 1 14 14 VAL H H 1 8.111 0.030 . 1 . . . . 14 VAL H . 11341 1 87 . 1 1 14 14 VAL HA H 1 4.121 0.030 . 1 . . . . 14 VAL HA . 11341 1 88 . 1 1 14 14 VAL HB H 1 2.063 0.030 . 1 . . . . 14 VAL HB . 11341 1 89 . 1 1 14 14 VAL HG11 H 1 0.920 0.030 . 1 . . . . 14 VAL HG1 . 11341 1 90 . 1 1 14 14 VAL HG12 H 1 0.920 0.030 . 1 . . . . 14 VAL HG1 . 11341 1 91 . 1 1 14 14 VAL HG13 H 1 0.920 0.030 . 1 . . . . 14 VAL HG1 . 11341 1 92 . 1 1 14 14 VAL HG21 H 1 0.923 0.030 . 1 . . . . 14 VAL HG2 . 11341 1 93 . 1 1 14 14 VAL HG22 H 1 0.923 0.030 . 1 . . . . 14 VAL HG2 . 11341 1 94 . 1 1 14 14 VAL HG23 H 1 0.923 0.030 . 1 . . . . 14 VAL HG2 . 11341 1 95 . 1 1 14 14 VAL C C 13 175.921 0.300 . 1 . . . . 14 VAL C . 11341 1 96 . 1 1 14 14 VAL CA C 13 62.206 0.300 . 1 . . . . 14 VAL CA . 11341 1 97 . 1 1 14 14 VAL CB C 13 32.931 0.300 . 1 . . . . 14 VAL CB . 11341 1 98 . 1 1 14 14 VAL CG1 C 13 21.218 0.300 . 2 . . . . 14 VAL CG1 . 11341 1 99 . 1 1 14 14 VAL CG2 C 13 20.366 0.300 . 2 . . . . 14 VAL CG2 . 11341 1 100 . 1 1 14 14 VAL N N 15 121.604 0.300 . 1 . . . . 14 VAL N . 11341 1 101 . 1 1 15 15 GLU H H 1 8.384 0.030 . 1 . . . . 15 GLU H . 11341 1 102 . 1 1 15 15 GLU HA H 1 4.358 0.030 . 1 . . . . 15 GLU HA . 11341 1 103 . 1 1 15 15 GLU HB2 H 1 1.868 0.030 . 2 . . . . 15 GLU HB2 . 11341 1 104 . 1 1 15 15 GLU HB3 H 1 2.056 0.030 . 2 . . . . 15 GLU HB3 . 11341 1 105 . 1 1 15 15 GLU HG2 H 1 2.249 0.030 . 1 . . . . 15 GLU HG2 . 11341 1 106 . 1 1 15 15 GLU HG3 H 1 2.249 0.030 . 1 . . . . 15 GLU HG3 . 11341 1 107 . 1 1 15 15 GLU C C 13 175.569 0.300 . 1 . . . . 15 GLU C . 11341 1 108 . 1 1 15 15 GLU CA C 13 56.372 0.300 . 1 . . . . 15 GLU CA . 11341 1 109 . 1 1 15 15 GLU CB C 13 30.721 0.300 . 1 . . . . 15 GLU CB . 11341 1 110 . 1 1 15 15 GLU CG C 13 36.403 0.300 . 1 . . . . 15 GLU CG . 11341 1 111 . 1 1 15 15 GLU N N 15 124.503 0.300 . 1 . . . . 15 GLU N . 11341 1 112 . 1 1 16 16 ALA H H 1 8.378 0.030 . 1 . . . . 16 ALA H . 11341 1 113 . 1 1 16 16 ALA HA H 1 4.431 0.030 . 1 . . . . 16 ALA HA . 11341 1 114 . 1 1 16 16 ALA HB1 H 1 1.355 0.030 . 1 . . . . 16 ALA HB . 11341 1 115 . 1 1 16 16 ALA HB2 H 1 1.355 0.030 . 1 . . . . 16 ALA HB . 11341 1 116 . 1 1 16 16 ALA HB3 H 1 1.355 0.030 . 1 . . . . 16 ALA HB . 11341 1 117 . 1 1 16 16 ALA C C 13 175.885 0.300 . 1 . . . . 16 ALA C . 11341 1 118 . 1 1 16 16 ALA CA C 13 51.975 0.300 . 1 . . . . 16 ALA CA . 11341 1 119 . 1 1 16 16 ALA CB C 13 20.322 0.300 . 1 . . . . 16 ALA CB . 11341 1 120 . 1 1 16 16 ALA N N 15 125.199 0.300 . 1 . . . . 16 ALA N . 11341 1 121 . 1 1 17 17 SER H H 1 7.984 0.030 . 1 . . . . 17 SER H . 11341 1 122 . 1 1 17 17 SER HA H 1 5.025 0.030 . 1 . . . . 17 SER HA . 11341 1 123 . 1 1 17 17 SER HB2 H 1 3.319 0.030 . 2 . . . . 17 SER HB2 . 11341 1 124 . 1 1 17 17 SER HB3 H 1 3.237 0.030 . 2 . . . . 17 SER HB3 . 11341 1 125 . 1 1 17 17 SER C C 13 173.119 0.300 . 1 . . . . 17 SER C . 11341 1 126 . 1 1 17 17 SER CA C 13 56.248 0.300 . 1 . . . . 17 SER CA . 11341 1 127 . 1 1 17 17 SER CB C 13 65.882 0.300 . 1 . . . . 17 SER CB . 11341 1 128 . 1 1 17 17 SER N N 15 113.153 0.300 . 1 . . . . 17 SER N . 11341 1 129 . 1 1 18 18 CYS H H 1 8.648 0.030 . 1 . . . . 18 CYS H . 11341 1 130 . 1 1 18 18 CYS HA H 1 3.861 0.030 . 1 . . . . 18 CYS HA . 11341 1 131 . 1 1 18 18 CYS HB2 H 1 2.813 0.030 . 2 . . . . 18 CYS HB2 . 11341 1 132 . 1 1 18 18 CYS HB3 H 1 3.426 0.030 . 2 . . . . 18 CYS HB3 . 11341 1 133 . 1 1 18 18 CYS C C 13 177.644 0.300 . 1 . . . . 18 CYS C . 11341 1 134 . 1 1 18 18 CYS CA C 13 60.153 0.300 . 1 . . . . 18 CYS CA . 11341 1 135 . 1 1 18 18 CYS CB C 13 31.202 0.300 . 1 . . . . 18 CYS CB . 11341 1 136 . 1 1 18 18 CYS N N 15 123.957 0.300 . 1 . . . . 18 CYS N . 11341 1 137 . 1 1 19 19 SER H H 1 8.775 0.030 . 1 . . . . 19 SER H . 11341 1 138 . 1 1 19 19 SER HA H 1 4.078 0.030 . 1 . . . . 19 SER HA . 11341 1 139 . 1 1 19 19 SER HB2 H 1 3.305 0.030 . 2 . . . . 19 SER HB2 . 11341 1 140 . 1 1 19 19 SER HB3 H 1 3.762 0.030 . 2 . . . . 19 SER HB3 . 11341 1 141 . 1 1 19 19 SER C C 13 173.246 0.300 . 1 . . . . 19 SER C . 11341 1 142 . 1 1 19 19 SER CA C 13 62.088 0.300 . 1 . . . . 19 SER CA . 11341 1 143 . 1 1 19 19 SER CB C 13 64.135 0.300 . 1 . . . . 19 SER CB . 11341 1 144 . 1 1 19 19 SER N N 15 125.978 0.300 . 1 . . . . 19 SER N . 11341 1 145 . 1 1 20 20 VAL H H 1 9.074 0.030 . 1 . . . . 20 VAL H . 11341 1 146 . 1 1 20 20 VAL HA H 1 4.058 0.030 . 1 . . . . 20 VAL HA . 11341 1 147 . 1 1 20 20 VAL HB H 1 2.695 0.030 . 1 . . . . 20 VAL HB . 11341 1 148 . 1 1 20 20 VAL HG11 H 1 1.004 0.030 . 1 . . . . 20 VAL HG1 . 11341 1 149 . 1 1 20 20 VAL HG12 H 1 1.004 0.030 . 1 . . . . 20 VAL HG1 . 11341 1 150 . 1 1 20 20 VAL HG13 H 1 1.004 0.030 . 1 . . . . 20 VAL HG1 . 11341 1 151 . 1 1 20 20 VAL HG21 H 1 0.928 0.030 . 1 . . . . 20 VAL HG2 . 11341 1 152 . 1 1 20 20 VAL HG22 H 1 0.928 0.030 . 1 . . . . 20 VAL HG2 . 11341 1 153 . 1 1 20 20 VAL HG23 H 1 0.928 0.030 . 1 . . . . 20 VAL HG2 . 11341 1 154 . 1 1 20 20 VAL C C 13 176.524 0.300 . 1 . . . . 20 VAL C . 11341 1 155 . 1 1 20 20 VAL CA C 13 65.066 0.300 . 1 . . . . 20 VAL CA . 11341 1 156 . 1 1 20 20 VAL CB C 13 32.597 0.300 . 1 . . . . 20 VAL CB . 11341 1 157 . 1 1 20 20 VAL CG1 C 13 21.800 0.300 . 2 . . . . 20 VAL CG1 . 11341 1 158 . 1 1 20 20 VAL CG2 C 13 22.114 0.300 . 2 . . . . 20 VAL CG2 . 11341 1 159 . 1 1 20 20 VAL N N 15 122.114 0.300 . 1 . . . . 20 VAL N . 11341 1 160 . 1 1 21 21 CYS H H 1 8.405 0.030 . 1 . . . . 21 CYS H . 11341 1 161 . 1 1 21 21 CYS HA H 1 4.750 0.030 . 1 . . . . 21 CYS HA . 11341 1 162 . 1 1 21 21 CYS HB2 H 1 3.305 0.030 . 2 . . . . 21 CYS HB2 . 11341 1 163 . 1 1 21 21 CYS HB3 H 1 2.710 0.030 . 2 . . . . 21 CYS HB3 . 11341 1 164 . 1 1 21 21 CYS C C 13 176.519 0.300 . 1 . . . . 21 CYS C . 11341 1 165 . 1 1 21 21 CYS CA C 13 60.011 0.300 . 1 . . . . 21 CYS CA . 11341 1 166 . 1 1 21 21 CYS CB C 13 31.859 0.300 . 1 . . . . 21 CYS CB . 11341 1 167 . 1 1 21 21 CYS N N 15 119.186 0.300 . 1 . . . . 21 CYS N . 11341 1 168 . 1 1 22 22 LEU H H 1 7.601 0.030 . 1 . . . . 22 LEU H . 11341 1 169 . 1 1 22 22 LEU HA H 1 4.195 0.030 . 1 . . . . 22 LEU HA . 11341 1 170 . 1 1 22 22 LEU HB2 H 1 1.657 0.030 . 2 . . . . 22 LEU HB2 . 11341 1 171 . 1 1 22 22 LEU HB3 H 1 2.133 0.030 . 2 . . . . 22 LEU HB3 . 11341 1 172 . 1 1 22 22 LEU HD11 H 1 0.853 0.030 . 1 . . . . 22 LEU HD1 . 11341 1 173 . 1 1 22 22 LEU HD12 H 1 0.853 0.030 . 1 . . . . 22 LEU HD1 . 11341 1 174 . 1 1 22 22 LEU HD13 H 1 0.853 0.030 . 1 . . . . 22 LEU HD1 . 11341 1 175 . 1 1 22 22 LEU HD21 H 1 0.772 0.030 . 1 . . . . 22 LEU HD2 . 11341 1 176 . 1 1 22 22 LEU HD22 H 1 0.772 0.030 . 1 . . . . 22 LEU HD2 . 11341 1 177 . 1 1 22 22 LEU HD23 H 1 0.772 0.030 . 1 . . . . 22 LEU HD2 . 11341 1 178 . 1 1 22 22 LEU HG H 1 1.380 0.030 . 1 . . . . 22 LEU HG . 11341 1 179 . 1 1 22 22 LEU C C 13 176.142 0.300 . 1 . . . . 22 LEU C . 11341 1 180 . 1 1 22 22 LEU CA C 13 57.224 0.300 . 1 . . . . 22 LEU CA . 11341 1 181 . 1 1 22 22 LEU CB C 13 38.418 0.300 . 1 . . . . 22 LEU CB . 11341 1 182 . 1 1 22 22 LEU CD1 C 13 25.104 0.300 . 2 . . . . 22 LEU CD1 . 11341 1 183 . 1 1 22 22 LEU CD2 C 13 22.535 0.300 . 2 . . . . 22 LEU CD2 . 11341 1 184 . 1 1 22 22 LEU CG C 13 27.520 0.300 . 1 . . . . 22 LEU CG . 11341 1 185 . 1 1 22 22 LEU N N 15 116.918 0.300 . 1 . . . . 22 LEU N . 11341 1 186 . 1 1 23 23 GLU H H 1 8.122 0.030 . 1 . . . . 23 GLU H . 11341 1 187 . 1 1 23 23 GLU HA H 1 4.217 0.030 . 1 . . . . 23 GLU HA . 11341 1 188 . 1 1 23 23 GLU HB2 H 1 1.977 0.030 . 2 . . . . 23 GLU HB2 . 11341 1 189 . 1 1 23 23 GLU HB3 H 1 2.162 0.030 . 2 . . . . 23 GLU HB3 . 11341 1 190 . 1 1 23 23 GLU HG2 H 1 2.366 0.030 . 2 . . . . 23 GLU HG2 . 11341 1 191 . 1 1 23 23 GLU HG3 H 1 2.535 0.030 . 2 . . . . 23 GLU HG3 . 11341 1 192 . 1 1 23 23 GLU C C 13 176.506 0.300 . 1 . . . . 23 GLU C . 11341 1 193 . 1 1 23 23 GLU CA C 13 57.136 0.300 . 1 . . . . 23 GLU CA . 11341 1 194 . 1 1 23 23 GLU CB C 13 31.021 0.300 . 1 . . . . 23 GLU CB . 11341 1 195 . 1 1 23 23 GLU CG C 13 36.931 0.300 . 1 . . . . 23 GLU CG . 11341 1 196 . 1 1 23 23 GLU N N 15 121.721 0.300 . 1 . . . . 23 GLU N . 11341 1 197 . 1 1 24 24 TYR H H 1 8.498 0.030 . 1 . . . . 24 TYR H . 11341 1 198 . 1 1 24 24 TYR HA H 1 4.618 0.030 . 1 . . . . 24 TYR HA . 11341 1 199 . 1 1 24 24 TYR HB2 H 1 2.979 0.030 . 2 . . . . 24 TYR HB2 . 11341 1 200 . 1 1 24 24 TYR HB3 H 1 2.952 0.030 . 2 . . . . 24 TYR HB3 . 11341 1 201 . 1 1 24 24 TYR HD1 H 1 7.116 0.030 . 1 . . . . 24 TYR HD1 . 11341 1 202 . 1 1 24 24 TYR HD2 H 1 7.116 0.030 . 1 . . . . 24 TYR HD2 . 11341 1 203 . 1 1 24 24 TYR HE1 H 1 6.801 0.030 . 1 . . . . 24 TYR HE1 . 11341 1 204 . 1 1 24 24 TYR HE2 H 1 6.801 0.030 . 1 . . . . 24 TYR HE2 . 11341 1 205 . 1 1 24 24 TYR C C 13 176.283 0.300 . 1 . . . . 24 TYR C . 11341 1 206 . 1 1 24 24 TYR CA C 13 59.062 0.300 . 1 . . . . 24 TYR CA . 11341 1 207 . 1 1 24 24 TYR CB C 13 38.421 0.300 . 1 . . . . 24 TYR CB . 11341 1 208 . 1 1 24 24 TYR CD1 C 13 133.159 0.300 . 1 . . . . 24 TYR CD1 . 11341 1 209 . 1 1 24 24 TYR CD2 C 13 133.159 0.300 . 1 . . . . 24 TYR CD2 . 11341 1 210 . 1 1 24 24 TYR CE1 C 13 118.140 0.300 . 1 . . . . 24 TYR CE1 . 11341 1 211 . 1 1 24 24 TYR CE2 C 13 118.140 0.300 . 1 . . . . 24 TYR CE2 . 11341 1 212 . 1 1 24 24 TYR N N 15 122.329 0.300 . 1 . . . . 24 TYR N . 11341 1 213 . 1 1 25 25 LEU H H 1 8.143 0.030 . 1 . . . . 25 LEU H . 11341 1 214 . 1 1 25 25 LEU HA H 1 4.455 0.030 . 1 . . . . 25 LEU HA . 11341 1 215 . 1 1 25 25 LEU HB2 H 1 0.989 0.030 . 2 . . . . 25 LEU HB2 . 11341 1 216 . 1 1 25 25 LEU HB3 H 1 1.457 0.030 . 2 . . . . 25 LEU HB3 . 11341 1 217 . 1 1 25 25 LEU HD11 H 1 0.619 0.030 . 1 . . . . 25 LEU HD1 . 11341 1 218 . 1 1 25 25 LEU HD12 H 1 0.619 0.030 . 1 . . . . 25 LEU HD1 . 11341 1 219 . 1 1 25 25 LEU HD13 H 1 0.619 0.030 . 1 . . . . 25 LEU HD1 . 11341 1 220 . 1 1 25 25 LEU HD21 H 1 0.734 0.030 . 1 . . . . 25 LEU HD2 . 11341 1 221 . 1 1 25 25 LEU HD22 H 1 0.734 0.030 . 1 . . . . 25 LEU HD2 . 11341 1 222 . 1 1 25 25 LEU HD23 H 1 0.734 0.030 . 1 . . . . 25 LEU HD2 . 11341 1 223 . 1 1 25 25 LEU HG H 1 1.514 0.030 . 1 . . . . 25 LEU HG . 11341 1 224 . 1 1 25 25 LEU C C 13 175.078 0.300 . 1 . . . . 25 LEU C . 11341 1 225 . 1 1 25 25 LEU CA C 13 53.770 0.300 . 1 . . . . 25 LEU CA . 11341 1 226 . 1 1 25 25 LEU CB C 13 43.973 0.300 . 1 . . . . 25 LEU CB . 11341 1 227 . 1 1 25 25 LEU CD1 C 13 25.792 0.300 . 2 . . . . 25 LEU CD1 . 11341 1 228 . 1 1 25 25 LEU CD2 C 13 24.135 0.300 . 2 . . . . 25 LEU CD2 . 11341 1 229 . 1 1 25 25 LEU CG C 13 26.179 0.300 . 1 . . . . 25 LEU CG . 11341 1 230 . 1 1 25 25 LEU N N 15 124.512 0.300 . 1 . . . . 25 LEU N . 11341 1 231 . 1 1 26 26 LYS H H 1 8.181 0.030 . 1 . . . . 26 LYS H . 11341 1 232 . 1 1 26 26 LYS HA H 1 4.303 0.030 . 1 . . . . 26 LYS HA . 11341 1 233 . 1 1 26 26 LYS HB2 H 1 1.897 0.030 . 2 . . . . 26 LYS HB2 . 11341 1 234 . 1 1 26 26 LYS HB3 H 1 1.845 0.030 . 2 . . . . 26 LYS HB3 . 11341 1 235 . 1 1 26 26 LYS HD2 H 1 1.772 0.030 . 1 . . . . 26 LYS HD2 . 11341 1 236 . 1 1 26 26 LYS HD3 H 1 1.772 0.030 . 1 . . . . 26 LYS HD3 . 11341 1 237 . 1 1 26 26 LYS HE2 H 1 3.066 0.030 . 1 . . . . 26 LYS HE2 . 11341 1 238 . 1 1 26 26 LYS HE3 H 1 3.066 0.030 . 1 . . . . 26 LYS HE3 . 11341 1 239 . 1 1 26 26 LYS HG2 H 1 1.579 0.030 . 2 . . . . 26 LYS HG2 . 11341 1 240 . 1 1 26 26 LYS HG3 H 1 1.524 0.030 . 2 . . . . 26 LYS HG3 . 11341 1 241 . 1 1 26 26 LYS C C 13 175.077 0.300 . 1 . . . . 26 LYS C . 11341 1 242 . 1 1 26 26 LYS CA C 13 57.209 0.300 . 1 . . . . 26 LYS CA . 11341 1 243 . 1 1 26 26 LYS CB C 13 33.313 0.300 . 1 . . . . 26 LYS CB . 11341 1 244 . 1 1 26 26 LYS CD C 13 29.023 0.300 . 1 . . . . 26 LYS CD . 11341 1 245 . 1 1 26 26 LYS CE C 13 42.208 0.300 . 1 . . . . 26 LYS CE . 11341 1 246 . 1 1 26 26 LYS CG C 13 25.113 0.300 . 1 . . . . 26 LYS CG . 11341 1 247 . 1 1 26 26 LYS N N 15 122.802 0.300 . 1 . . . . 26 LYS N . 11341 1 248 . 1 1 27 27 GLU H H 1 8.104 0.030 . 1 . . . . 27 GLU H . 11341 1 249 . 1 1 27 27 GLU HA H 1 4.740 0.030 . 1 . . . . 27 GLU HA . 11341 1 250 . 1 1 27 27 GLU HB2 H 1 1.940 0.030 . 2 . . . . 27 GLU HB2 . 11341 1 251 . 1 1 27 27 GLU HB3 H 1 2.035 0.030 . 2 . . . . 27 GLU HB3 . 11341 1 252 . 1 1 27 27 GLU HG2 H 1 2.202 0.030 . 2 . . . . 27 GLU HG2 . 11341 1 253 . 1 1 27 27 GLU HG3 H 1 2.144 0.030 . 2 . . . . 27 GLU HG3 . 11341 1 254 . 1 1 27 27 GLU CA C 13 53.586 0.300 . 1 . . . . 27 GLU CA . 11341 1 255 . 1 1 27 27 GLU CB C 13 30.295 0.300 . 1 . . . . 27 GLU CB . 11341 1 256 . 1 1 27 27 GLU CG C 13 36.214 0.300 . 1 . . . . 27 GLU CG . 11341 1 257 . 1 1 27 27 GLU N N 15 117.489 0.300 . 1 . . . . 27 GLU N . 11341 1 258 . 1 1 28 28 PRO HA H 1 4.280 0.030 . 1 . . . . 28 PRO HA . 11341 1 259 . 1 1 28 28 PRO HB2 H 1 1.894 0.030 . 2 . . . . 28 PRO HB2 . 11341 1 260 . 1 1 28 28 PRO HB3 H 1 1.770 0.030 . 2 . . . . 28 PRO HB3 . 11341 1 261 . 1 1 28 28 PRO HD2 H 1 3.184 0.030 . 2 . . . . 28 PRO HD2 . 11341 1 262 . 1 1 28 28 PRO HD3 H 1 3.701 0.030 . 2 . . . . 28 PRO HD3 . 11341 1 263 . 1 1 28 28 PRO HG2 H 1 1.969 0.030 . 2 . . . . 28 PRO HG2 . 11341 1 264 . 1 1 28 28 PRO HG3 H 1 1.830 0.030 . 2 . . . . 28 PRO HG3 . 11341 1 265 . 1 1 28 28 PRO C C 13 176.416 0.300 . 1 . . . . 28 PRO C . 11341 1 266 . 1 1 28 28 PRO CA C 13 63.171 0.300 . 1 . . . . 28 PRO CA . 11341 1 267 . 1 1 28 28 PRO CB C 13 32.865 0.300 . 1 . . . . 28 PRO CB . 11341 1 268 . 1 1 28 28 PRO CD C 13 50.483 0.300 . 1 . . . . 28 PRO CD . 11341 1 269 . 1 1 28 28 PRO CG C 13 26.891 0.300 . 1 . . . . 28 PRO CG . 11341 1 270 . 1 1 29 29 VAL H H 1 8.893 0.030 . 1 . . . . 29 VAL H . 11341 1 271 . 1 1 29 29 VAL HA H 1 4.147 0.030 . 1 . . . . 29 VAL HA . 11341 1 272 . 1 1 29 29 VAL HB H 1 2.053 0.030 . 1 . . . . 29 VAL HB . 11341 1 273 . 1 1 29 29 VAL HG11 H 1 0.936 0.030 . 1 . . . . 29 VAL HG1 . 11341 1 274 . 1 1 29 29 VAL HG12 H 1 0.936 0.030 . 1 . . . . 29 VAL HG1 . 11341 1 275 . 1 1 29 29 VAL HG13 H 1 0.936 0.030 . 1 . . . . 29 VAL HG1 . 11341 1 276 . 1 1 29 29 VAL HG21 H 1 0.975 0.030 . 1 . . . . 29 VAL HG2 . 11341 1 277 . 1 1 29 29 VAL HG22 H 1 0.975 0.030 . 1 . . . . 29 VAL HG2 . 11341 1 278 . 1 1 29 29 VAL HG23 H 1 0.975 0.030 . 1 . . . . 29 VAL HG2 . 11341 1 279 . 1 1 29 29 VAL C C 13 175.055 0.300 . 1 . . . . 29 VAL C . 11341 1 280 . 1 1 29 29 VAL CA C 13 63.081 0.300 . 1 . . . . 29 VAL CA . 11341 1 281 . 1 1 29 29 VAL CB C 13 32.029 0.300 . 1 . . . . 29 VAL CB . 11341 1 282 . 1 1 29 29 VAL CG1 C 13 21.202 0.300 . 2 . . . . 29 VAL CG1 . 11341 1 283 . 1 1 29 29 VAL CG2 C 13 20.814 0.300 . 2 . . . . 29 VAL CG2 . 11341 1 284 . 1 1 29 29 VAL N N 15 122.730 0.300 . 1 . . . . 29 VAL N . 11341 1 285 . 1 1 30 30 ILE H H 1 8.534 0.030 . 1 . . . . 30 ILE H . 11341 1 286 . 1 1 30 30 ILE HA H 1 4.747 0.030 . 1 . . . . 30 ILE HA . 11341 1 287 . 1 1 30 30 ILE HB H 1 1.707 0.030 . 1 . . . . 30 ILE HB . 11341 1 288 . 1 1 30 30 ILE HD11 H 1 0.858 0.030 . 1 . . . . 30 ILE HD1 . 11341 1 289 . 1 1 30 30 ILE HD12 H 1 0.858 0.030 . 1 . . . . 30 ILE HD1 . 11341 1 290 . 1 1 30 30 ILE HD13 H 1 0.858 0.030 . 1 . . . . 30 ILE HD1 . 11341 1 291 . 1 1 30 30 ILE HG12 H 1 1.431 0.030 . 2 . . . . 30 ILE HG12 . 11341 1 292 . 1 1 30 30 ILE HG13 H 1 0.990 0.030 . 2 . . . . 30 ILE HG13 . 11341 1 293 . 1 1 30 30 ILE HG21 H 1 0.880 0.030 . 1 . . . . 30 ILE HG2 . 11341 1 294 . 1 1 30 30 ILE HG22 H 1 0.880 0.030 . 1 . . . . 30 ILE HG2 . 11341 1 295 . 1 1 30 30 ILE HG23 H 1 0.880 0.030 . 1 . . . . 30 ILE HG2 . 11341 1 296 . 1 1 30 30 ILE C C 13 177.209 0.300 . 1 . . . . 30 ILE C . 11341 1 297 . 1 1 30 30 ILE CA C 13 61.153 0.300 . 1 . . . . 30 ILE CA . 11341 1 298 . 1 1 30 30 ILE CB C 13 39.306 0.300 . 1 . . . . 30 ILE CB . 11341 1 299 . 1 1 30 30 ILE CD1 C 13 13.818 0.300 . 1 . . . . 30 ILE CD1 . 11341 1 300 . 1 1 30 30 ILE CG1 C 13 27.316 0.300 . 1 . . . . 30 ILE CG1 . 11341 1 301 . 1 1 30 30 ILE CG2 C 13 17.134 0.300 . 1 . . . . 30 ILE CG2 . 11341 1 302 . 1 1 30 30 ILE N N 15 128.293 0.300 . 1 . . . . 30 ILE N . 11341 1 303 . 1 1 31 31 ILE H H 1 7.831 0.030 . 1 . . . . 31 ILE H . 11341 1 304 . 1 1 31 31 ILE HA H 1 4.909 0.030 . 1 . . . . 31 ILE HA . 11341 1 305 . 1 1 31 31 ILE HB H 1 2.559 0.030 . 1 . . . . 31 ILE HB . 11341 1 306 . 1 1 31 31 ILE HD11 H 1 1.069 0.030 . 1 . . . . 31 ILE HD1 . 11341 1 307 . 1 1 31 31 ILE HD12 H 1 1.069 0.030 . 1 . . . . 31 ILE HD1 . 11341 1 308 . 1 1 31 31 ILE HD13 H 1 1.069 0.030 . 1 . . . . 31 ILE HD1 . 11341 1 309 . 1 1 31 31 ILE HG12 H 1 2.140 0.030 . 2 . . . . 31 ILE HG12 . 11341 1 310 . 1 1 31 31 ILE HG13 H 1 1.585 0.030 . 2 . . . . 31 ILE HG13 . 11341 1 311 . 1 1 31 31 ILE HG21 H 1 1.129 0.030 . 1 . . . . 31 ILE HG2 . 11341 1 312 . 1 1 31 31 ILE HG22 H 1 1.129 0.030 . 1 . . . . 31 ILE HG2 . 11341 1 313 . 1 1 31 31 ILE HG23 H 1 1.129 0.030 . 1 . . . . 31 ILE HG2 . 11341 1 314 . 1 1 31 31 ILE C C 13 178.761 0.300 . 1 . . . . 31 ILE C . 11341 1 315 . 1 1 31 31 ILE CA C 13 60.716 0.300 . 1 . . . . 31 ILE CA . 11341 1 316 . 1 1 31 31 ILE CB C 13 38.092 0.300 . 1 . . . . 31 ILE CB . 11341 1 317 . 1 1 31 31 ILE CD1 C 13 13.912 0.300 . 1 . . . . 31 ILE CD1 . 11341 1 318 . 1 1 31 31 ILE CG1 C 13 27.069 0.300 . 1 . . . . 31 ILE CG1 . 11341 1 319 . 1 1 31 31 ILE CG2 C 13 18.921 0.300 . 1 . . . . 31 ILE CG2 . 11341 1 320 . 1 1 31 31 ILE N N 15 122.084 0.300 . 1 . . . . 31 ILE N . 11341 1 321 . 1 1 32 32 GLU H H 1 8.909 0.030 . 1 . . . . 32 GLU H . 11341 1 322 . 1 1 32 32 GLU HA H 1 4.008 0.030 . 1 . . . . 32 GLU HA . 11341 1 323 . 1 1 32 32 GLU HB2 H 1 2.204 0.030 . 2 . . . . 32 GLU HB2 . 11341 1 324 . 1 1 32 32 GLU HB3 H 1 2.126 0.030 . 2 . . . . 32 GLU HB3 . 11341 1 325 . 1 1 32 32 GLU HG2 H 1 2.437 0.030 . 2 . . . . 32 GLU HG2 . 11341 1 326 . 1 1 32 32 GLU HG3 H 1 2.401 0.030 . 2 . . . . 32 GLU HG3 . 11341 1 327 . 1 1 32 32 GLU C C 13 176.601 0.300 . 1 . . . . 32 GLU C . 11341 1 328 . 1 1 32 32 GLU CA C 13 61.010 0.300 . 1 . . . . 32 GLU CA . 11341 1 329 . 1 1 32 32 GLU CB C 13 29.660 0.300 . 1 . . . . 32 GLU CB . 11341 1 330 . 1 1 32 32 GLU CG C 13 36.435 0.300 . 1 . . . . 32 GLU CG . 11341 1 331 . 1 1 32 32 GLU N N 15 121.427 0.300 . 1 . . . . 32 GLU N . 11341 1 332 . 1 1 33 33 CYS H H 1 7.730 0.030 . 1 . . . . 33 CYS H . 11341 1 333 . 1 1 33 33 CYS HA H 1 4.492 0.030 . 1 . . . . 33 CYS HA . 11341 1 334 . 1 1 33 33 CYS HB2 H 1 2.908 0.030 . 1 . . . . 33 CYS HB2 . 11341 1 335 . 1 1 33 33 CYS HB3 H 1 2.908 0.030 . 1 . . . . 33 CYS HB3 . 11341 1 336 . 1 1 33 33 CYS C C 13 176.373 0.300 . 1 . . . . 33 CYS C . 11341 1 337 . 1 1 33 33 CYS CA C 13 58.105 0.300 . 1 . . . . 33 CYS CA . 11341 1 338 . 1 1 33 33 CYS CB C 13 30.714 0.300 . 1 . . . . 33 CYS CB . 11341 1 339 . 1 1 33 33 CYS N N 15 114.842 0.300 . 1 . . . . 33 CYS N . 11341 1 340 . 1 1 34 34 GLY H H 1 8.432 0.030 . 1 . . . . 34 GLY H . 11341 1 341 . 1 1 34 34 GLY HA2 H 1 3.511 0.030 . 2 . . . . 34 GLY HA2 . 11341 1 342 . 1 1 34 34 GLY HA3 H 1 4.234 0.030 . 2 . . . . 34 GLY HA3 . 11341 1 343 . 1 1 34 34 GLY C C 13 174.439 0.300 . 1 . . . . 34 GLY C . 11341 1 344 . 1 1 34 34 GLY CA C 13 44.809 0.300 . 1 . . . . 34 GLY CA . 11341 1 345 . 1 1 34 34 GLY N N 15 111.285 0.300 . 1 . . . . 34 GLY N . 11341 1 346 . 1 1 35 35 HIS H H 1 8.366 0.030 . 1 . . . . 35 HIS H . 11341 1 347 . 1 1 35 35 HIS HA H 1 4.423 0.030 . 1 . . . . 35 HIS HA . 11341 1 348 . 1 1 35 35 HIS HB2 H 1 2.752 0.030 . 2 . . . . 35 HIS HB2 . 11341 1 349 . 1 1 35 35 HIS HB3 H 1 3.241 0.030 . 2 . . . . 35 HIS HB3 . 11341 1 350 . 1 1 35 35 HIS HD2 H 1 7.227 0.030 . 1 . . . . 35 HIS HD2 . 11341 1 351 . 1 1 35 35 HIS HE1 H 1 8.023 0.030 . 1 . . . . 35 HIS HE1 . 11341 1 352 . 1 1 35 35 HIS C C 13 173.268 0.300 . 1 . . . . 35 HIS C . 11341 1 353 . 1 1 35 35 HIS CA C 13 61.173 0.300 . 1 . . . . 35 HIS CA . 11341 1 354 . 1 1 35 35 HIS CB C 13 31.010 0.300 . 1 . . . . 35 HIS CB . 11341 1 355 . 1 1 35 35 HIS CD2 C 13 118.655 0.300 . 1 . . . . 35 HIS CD2 . 11341 1 356 . 1 1 35 35 HIS CE1 C 13 138.421 0.300 . 1 . . . . 35 HIS CE1 . 11341 1 357 . 1 1 35 35 HIS N N 15 122.889 0.300 . 1 . . . . 35 HIS N . 11341 1 358 . 1 1 36 36 ASN H H 1 8.390 0.030 . 1 . . . . 36 ASN H . 11341 1 359 . 1 1 36 36 ASN HA H 1 5.472 0.030 . 1 . . . . 36 ASN HA . 11341 1 360 . 1 1 36 36 ASN HB2 H 1 2.134 0.030 . 2 . . . . 36 ASN HB2 . 11341 1 361 . 1 1 36 36 ASN HB3 H 1 2.773 0.030 . 2 . . . . 36 ASN HB3 . 11341 1 362 . 1 1 36 36 ASN HD21 H 1 7.024 0.030 . 2 . . . . 36 ASN HD21 . 11341 1 363 . 1 1 36 36 ASN HD22 H 1 6.596 0.030 . 2 . . . . 36 ASN HD22 . 11341 1 364 . 1 1 36 36 ASN C C 13 175.229 0.300 . 1 . . . . 36 ASN C . 11341 1 365 . 1 1 36 36 ASN CA C 13 51.604 0.300 . 1 . . . . 36 ASN CA . 11341 1 366 . 1 1 36 36 ASN CB C 13 41.957 0.300 . 1 . . . . 36 ASN CB . 11341 1 367 . 1 1 36 36 ASN N N 15 117.092 0.300 . 1 . . . . 36 ASN N . 11341 1 368 . 1 1 36 36 ASN ND2 N 15 109.382 0.300 . 1 . . . . 36 ASN ND2 . 11341 1 369 . 1 1 37 37 PHE H H 1 9.342 0.030 . 1 . . . . 37 PHE H . 11341 1 370 . 1 1 37 37 PHE HA H 1 5.814 0.030 . 1 . . . . 37 PHE HA . 11341 1 371 . 1 1 37 37 PHE HB2 H 1 2.482 0.030 . 2 . . . . 37 PHE HB2 . 11341 1 372 . 1 1 37 37 PHE HB3 H 1 3.457 0.030 . 2 . . . . 37 PHE HB3 . 11341 1 373 . 1 1 37 37 PHE HD1 H 1 7.096 0.030 . 1 . . . . 37 PHE HD1 . 11341 1 374 . 1 1 37 37 PHE HD2 H 1 7.096 0.030 . 1 . . . . 37 PHE HD2 . 11341 1 375 . 1 1 37 37 PHE HE1 H 1 7.091 0.030 . 1 . . . . 37 PHE HE1 . 11341 1 376 . 1 1 37 37 PHE HE2 H 1 7.091 0.030 . 1 . . . . 37 PHE HE2 . 11341 1 377 . 1 1 37 37 PHE HZ H 1 7.674 0.030 . 1 . . . . 37 PHE HZ . 11341 1 378 . 1 1 37 37 PHE C C 13 174.869 0.300 . 1 . . . . 37 PHE C . 11341 1 379 . 1 1 37 37 PHE CA C 13 57.298 0.300 . 1 . . . . 37 PHE CA . 11341 1 380 . 1 1 37 37 PHE CB C 13 45.807 0.300 . 1 . . . . 37 PHE CB . 11341 1 381 . 1 1 37 37 PHE CD1 C 13 131.528 0.300 . 1 . . . . 37 PHE CD1 . 11341 1 382 . 1 1 37 37 PHE CD2 C 13 131.528 0.300 . 1 . . . . 37 PHE CD2 . 11341 1 383 . 1 1 37 37 PHE CE1 C 13 131.641 0.300 . 1 . . . . 37 PHE CE1 . 11341 1 384 . 1 1 37 37 PHE CE2 C 13 131.641 0.300 . 1 . . . . 37 PHE CE2 . 11341 1 385 . 1 1 37 37 PHE CZ C 13 130.174 0.300 . 1 . . . . 37 PHE CZ . 11341 1 386 . 1 1 37 37 PHE N N 15 118.993 0.300 . 1 . . . . 37 PHE N . 11341 1 387 . 1 1 38 38 CYS H H 1 9.334 0.030 . 1 . . . . 38 CYS H . 11341 1 388 . 1 1 38 38 CYS HA H 1 5.048 0.030 . 1 . . . . 38 CYS HA . 11341 1 389 . 1 1 38 38 CYS HB2 H 1 3.021 0.030 . 2 . . . . 38 CYS HB2 . 11341 1 390 . 1 1 38 38 CYS HB3 H 1 3.440 0.030 . 2 . . . . 38 CYS HB3 . 11341 1 391 . 1 1 38 38 CYS C C 13 175.978 0.300 . 1 . . . . 38 CYS C . 11341 1 392 . 1 1 38 38 CYS CA C 13 56.727 0.300 . 1 . . . . 38 CYS CA . 11341 1 393 . 1 1 38 38 CYS CB C 13 31.785 0.300 . 1 . . . . 38 CYS CB . 11341 1 394 . 1 1 38 38 CYS N N 15 120.326 0.300 . 1 . . . . 38 CYS N . 11341 1 395 . 1 1 39 39 LYS H H 1 8.642 0.030 . 1 . . . . 39 LYS H . 11341 1 396 . 1 1 39 39 LYS HA H 1 3.923 0.030 . 1 . . . . 39 LYS HA . 11341 1 397 . 1 1 39 39 LYS HB2 H 1 1.900 0.030 . 1 . . . . 39 LYS HB2 . 11341 1 398 . 1 1 39 39 LYS HB3 H 1 1.900 0.030 . 1 . . . . 39 LYS HB3 . 11341 1 399 . 1 1 39 39 LYS HD2 H 1 1.720 0.030 . 1 . . . . 39 LYS HD2 . 11341 1 400 . 1 1 39 39 LYS HD3 H 1 1.720 0.030 . 1 . . . . 39 LYS HD3 . 11341 1 401 . 1 1 39 39 LYS HE2 H 1 3.012 0.030 . 1 . . . . 39 LYS HE2 . 11341 1 402 . 1 1 39 39 LYS HE3 H 1 3.012 0.030 . 1 . . . . 39 LYS HE3 . 11341 1 403 . 1 1 39 39 LYS HG2 H 1 1.444 0.030 . 2 . . . . 39 LYS HG2 . 11341 1 404 . 1 1 39 39 LYS HG3 H 1 1.538 0.030 . 2 . . . . 39 LYS HG3 . 11341 1 405 . 1 1 39 39 LYS C C 13 179.280 0.300 . 1 . . . . 39 LYS C . 11341 1 406 . 1 1 39 39 LYS CA C 13 59.613 0.300 . 1 . . . . 39 LYS CA . 11341 1 407 . 1 1 39 39 LYS CB C 13 32.409 0.300 . 1 . . . . 39 LYS CB . 11341 1 408 . 1 1 39 39 LYS CD C 13 29.203 0.300 . 1 . . . . 39 LYS CD . 11341 1 409 . 1 1 39 39 LYS CE C 13 42.004 0.300 . 1 . . . . 39 LYS CE . 11341 1 410 . 1 1 39 39 LYS CG C 13 25.469 0.300 . 1 . . . . 39 LYS CG . 11341 1 411 . 1 1 39 39 LYS N N 15 120.001 0.300 . 1 . . . . 39 LYS N . 11341 1 412 . 1 1 40 40 ALA H H 1 8.471 0.030 . 1 . . . . 40 ALA H . 11341 1 413 . 1 1 40 40 ALA HA H 1 4.146 0.030 . 1 . . . . 40 ALA HA . 11341 1 414 . 1 1 40 40 ALA HB1 H 1 1.618 0.030 . 1 . . . . 40 ALA HB . 11341 1 415 . 1 1 40 40 ALA HB2 H 1 1.618 0.030 . 1 . . . . 40 ALA HB . 11341 1 416 . 1 1 40 40 ALA HB3 H 1 1.618 0.030 . 1 . . . . 40 ALA HB . 11341 1 417 . 1 1 40 40 ALA C C 13 180.902 0.300 . 1 . . . . 40 ALA C . 11341 1 418 . 1 1 40 40 ALA CA C 13 55.825 0.300 . 1 . . . . 40 ALA CA . 11341 1 419 . 1 1 40 40 ALA CB C 13 18.697 0.300 . 1 . . . . 40 ALA CB . 11341 1 420 . 1 1 40 40 ALA N N 15 123.681 0.300 . 1 . . . . 40 ALA N . 11341 1 421 . 1 1 41 41 CYS H H 1 9.199 0.030 . 1 . . . . 41 CYS H . 11341 1 422 . 1 1 41 41 CYS HA H 1 4.105 0.030 . 1 . . . . 41 CYS HA . 11341 1 423 . 1 1 41 41 CYS HB2 H 1 3.011 0.030 . 2 . . . . 41 CYS HB2 . 11341 1 424 . 1 1 41 41 CYS HB3 H 1 3.232 0.030 . 2 . . . . 41 CYS HB3 . 11341 1 425 . 1 1 41 41 CYS C C 13 178.789 0.300 . 1 . . . . 41 CYS C . 11341 1 426 . 1 1 41 41 CYS CA C 13 65.728 0.300 . 1 . . . . 41 CYS CA . 11341 1 427 . 1 1 41 41 CYS CB C 13 29.897 0.300 . 1 . . . . 41 CYS CB . 11341 1 428 . 1 1 41 41 CYS N N 15 122.333 0.300 . 1 . . . . 41 CYS N . 11341 1 429 . 1 1 42 42 ILE H H 1 7.894 0.030 . 1 . . . . 42 ILE H . 11341 1 430 . 1 1 42 42 ILE HA H 1 3.841 0.030 . 1 . . . . 42 ILE HA . 11341 1 431 . 1 1 42 42 ILE HB H 1 1.463 0.030 . 1 . . . . 42 ILE HB . 11341 1 432 . 1 1 42 42 ILE HD11 H 1 -0.081 0.030 . 1 . . . . 42 ILE HD1 . 11341 1 433 . 1 1 42 42 ILE HD12 H 1 -0.081 0.030 . 1 . . . . 42 ILE HD1 . 11341 1 434 . 1 1 42 42 ILE HD13 H 1 -0.081 0.030 . 1 . . . . 42 ILE HD1 . 11341 1 435 . 1 1 42 42 ILE HG12 H 1 0.569 0.030 . 2 . . . . 42 ILE HG12 . 11341 1 436 . 1 1 42 42 ILE HG13 H 1 0.374 0.030 . 2 . . . . 42 ILE HG13 . 11341 1 437 . 1 1 42 42 ILE HG21 H 1 0.752 0.030 . 1 . . . . 42 ILE HG2 . 11341 1 438 . 1 1 42 42 ILE HG22 H 1 0.752 0.030 . 1 . . . . 42 ILE HG2 . 11341 1 439 . 1 1 42 42 ILE HG23 H 1 0.752 0.030 . 1 . . . . 42 ILE HG2 . 11341 1 440 . 1 1 42 42 ILE C C 13 176.517 0.300 . 1 . . . . 42 ILE C . 11341 1 441 . 1 1 42 42 ILE CA C 13 61.457 0.300 . 1 . . . . 42 ILE CA . 11341 1 442 . 1 1 42 42 ILE CB C 13 37.242 0.300 . 1 . . . . 42 ILE CB . 11341 1 443 . 1 1 42 42 ILE CD1 C 13 12.305 0.300 . 1 . . . . 42 ILE CD1 . 11341 1 444 . 1 1 42 42 ILE CG1 C 13 28.224 0.300 . 1 . . . . 42 ILE CG1 . 11341 1 445 . 1 1 42 42 ILE CG2 C 13 18.179 0.300 . 1 . . . . 42 ILE CG2 . 11341 1 446 . 1 1 42 42 ILE N N 15 118.624 0.300 . 1 . . . . 42 ILE N . 11341 1 447 . 1 1 43 43 THR H H 1 7.839 0.030 . 1 . . . . 43 THR H . 11341 1 448 . 1 1 43 43 THR HA H 1 4.016 0.030 . 1 . . . . 43 THR HA . 11341 1 449 . 1 1 43 43 THR HB H 1 4.268 0.030 . 1 . . . . 43 THR HB . 11341 1 450 . 1 1 43 43 THR HG21 H 1 1.313 0.030 . 1 . . . . 43 THR HG2 . 11341 1 451 . 1 1 43 43 THR HG22 H 1 1.313 0.030 . 1 . . . . 43 THR HG2 . 11341 1 452 . 1 1 43 43 THR HG23 H 1 1.313 0.030 . 1 . . . . 43 THR HG2 . 11341 1 453 . 1 1 43 43 THR C C 13 176.272 0.300 . 1 . . . . 43 THR C . 11341 1 454 . 1 1 43 43 THR CA C 13 66.579 0.300 . 1 . . . . 43 THR CA . 11341 1 455 . 1 1 43 43 THR CB C 13 68.801 0.300 . 1 . . . . 43 THR CB . 11341 1 456 . 1 1 43 43 THR CG2 C 13 21.465 0.300 . 1 . . . . 43 THR CG2 . 11341 1 457 . 1 1 43 43 THR N N 15 116.301 0.300 . 1 . . . . 43 THR N . 11341 1 458 . 1 1 44 44 ARG H H 1 7.599 0.030 . 1 . . . . 44 ARG H . 11341 1 459 . 1 1 44 44 ARG HA H 1 4.022 0.030 . 1 . . . . 44 ARG HA . 11341 1 460 . 1 1 44 44 ARG HB2 H 1 1.760 0.030 . 2 . . . . 44 ARG HB2 . 11341 1 461 . 1 1 44 44 ARG HB3 H 1 1.868 0.030 . 2 . . . . 44 ARG HB3 . 11341 1 462 . 1 1 44 44 ARG HD2 H 1 3.095 0.030 . 2 . . . . 44 ARG HD2 . 11341 1 463 . 1 1 44 44 ARG HD3 H 1 3.020 0.030 . 2 . . . . 44 ARG HD3 . 11341 1 464 . 1 1 44 44 ARG HG2 H 1 1.444 0.030 . 2 . . . . 44 ARG HG2 . 11341 1 465 . 1 1 44 44 ARG HG3 H 1 1.341 0.030 . 2 . . . . 44 ARG HG3 . 11341 1 466 . 1 1 44 44 ARG C C 13 178.214 0.300 . 1 . . . . 44 ARG C . 11341 1 467 . 1 1 44 44 ARG CA C 13 58.936 0.300 . 1 . . . . 44 ARG CA . 11341 1 468 . 1 1 44 44 ARG CB C 13 30.106 0.300 . 1 . . . . 44 ARG CB . 11341 1 469 . 1 1 44 44 ARG CD C 13 43.196 0.300 . 1 . . . . 44 ARG CD . 11341 1 470 . 1 1 44 44 ARG CG C 13 27.158 0.300 . 1 . . . . 44 ARG CG . 11341 1 471 . 1 1 44 44 ARG N N 15 119.921 0.300 . 1 . . . . 44 ARG N . 11341 1 472 . 1 1 45 45 TRP H H 1 7.592 0.030 . 1 . . . . 45 TRP H . 11341 1 473 . 1 1 45 45 TRP HA H 1 4.599 0.030 . 1 . . . . 45 TRP HA . 11341 1 474 . 1 1 45 45 TRP HB2 H 1 3.077 0.030 . 2 . . . . 45 TRP HB2 . 11341 1 475 . 1 1 45 45 TRP HB3 H 1 3.239 0.030 . 2 . . . . 45 TRP HB3 . 11341 1 476 . 1 1 45 45 TRP HD1 H 1 7.129 0.030 . 1 . . . . 45 TRP HD1 . 11341 1 477 . 1 1 45 45 TRP HE1 H 1 9.786 0.030 . 1 . . . . 45 TRP HE1 . 11341 1 478 . 1 1 45 45 TRP HE3 H 1 7.706 0.030 . 1 . . . . 45 TRP HE3 . 11341 1 479 . 1 1 45 45 TRP HH2 H 1 7.252 0.030 . 1 . . . . 45 TRP HH2 . 11341 1 480 . 1 1 45 45 TRP HZ2 H 1 7.384 0.030 . 1 . . . . 45 TRP HZ2 . 11341 1 481 . 1 1 45 45 TRP HZ3 H 1 7.185 0.030 . 1 . . . . 45 TRP HZ3 . 11341 1 482 . 1 1 45 45 TRP C C 13 176.924 0.300 . 1 . . . . 45 TRP C . 11341 1 483 . 1 1 45 45 TRP CA C 13 59.379 0.300 . 1 . . . . 45 TRP CA . 11341 1 484 . 1 1 45 45 TRP CB C 13 29.864 0.300 . 1 . . . . 45 TRP CB . 11341 1 485 . 1 1 45 45 TRP CD1 C 13 126.744 0.300 . 1 . . . . 45 TRP CD1 . 11341 1 486 . 1 1 45 45 TRP CE3 C 13 121.177 0.300 . 1 . . . . 45 TRP CE3 . 11341 1 487 . 1 1 45 45 TRP CH2 C 13 124.876 0.300 . 1 . . . . 45 TRP CH2 . 11341 1 488 . 1 1 45 45 TRP CZ2 C 13 114.495 0.300 . 1 . . . . 45 TRP CZ2 . 11341 1 489 . 1 1 45 45 TRP CZ3 C 13 122.459 0.300 . 1 . . . . 45 TRP CZ3 . 11341 1 490 . 1 1 45 45 TRP N N 15 118.010 0.300 . 1 . . . . 45 TRP N . 11341 1 491 . 1 1 45 45 TRP NE1 N 15 127.705 0.300 . 1 . . . . 45 TRP NE1 . 11341 1 492 . 1 1 46 46 TRP H H 1 8.327 0.030 . 1 . . . . 46 TRP H . 11341 1 493 . 1 1 46 46 TRP HA H 1 4.753 0.030 . 1 . . . . 46 TRP HA . 11341 1 494 . 1 1 46 46 TRP HB2 H 1 3.378 0.030 . 2 . . . . 46 TRP HB2 . 11341 1 495 . 1 1 46 46 TRP HB3 H 1 3.304 0.030 . 2 . . . . 46 TRP HB3 . 11341 1 496 . 1 1 46 46 TRP HD1 H 1 7.023 0.030 . 1 . . . . 46 TRP HD1 . 11341 1 497 . 1 1 46 46 TRP HE1 H 1 10.277 0.030 . 1 . . . . 46 TRP HE1 . 11341 1 498 . 1 1 46 46 TRP HE3 H 1 7.474 0.030 . 1 . . . . 46 TRP HE3 . 11341 1 499 . 1 1 46 46 TRP HH2 H 1 7.189 0.030 . 1 . . . . 46 TRP HH2 . 11341 1 500 . 1 1 46 46 TRP HZ2 H 1 7.490 0.030 . 1 . . . . 46 TRP HZ2 . 11341 1 501 . 1 1 46 46 TRP HZ3 H 1 7.030 0.030 . 1 . . . . 46 TRP HZ3 . 11341 1 502 . 1 1 46 46 TRP C C 13 176.587 0.300 . 1 . . . . 46 TRP C . 11341 1 503 . 1 1 46 46 TRP CA C 13 56.679 0.300 . 1 . . . . 46 TRP CA . 11341 1 504 . 1 1 46 46 TRP CB C 13 28.898 0.300 . 1 . . . . 46 TRP CB . 11341 1 505 . 1 1 46 46 TRP CD1 C 13 123.787 0.300 . 1 . . . . 46 TRP CD1 . 11341 1 506 . 1 1 46 46 TRP CE3 C 13 121.062 0.300 . 1 . . . . 46 TRP CE3 . 11341 1 507 . 1 1 46 46 TRP CH2 C 13 124.764 0.300 . 1 . . . . 46 TRP CH2 . 11341 1 508 . 1 1 46 46 TRP CZ2 C 13 114.868 0.300 . 1 . . . . 46 TRP CZ2 . 11341 1 509 . 1 1 46 46 TRP CZ3 C 13 121.578 0.300 . 1 . . . . 46 TRP CZ3 . 11341 1 510 . 1 1 46 46 TRP N N 15 120.477 0.300 . 1 . . . . 46 TRP N . 11341 1 511 . 1 1 46 46 TRP NE1 N 15 128.243 0.300 . 1 . . . . 46 TRP NE1 . 11341 1 512 . 1 1 47 47 GLU H H 1 7.933 0.030 . 1 . . . . 47 GLU H . 11341 1 513 . 1 1 47 47 GLU HA H 1 4.171 0.030 . 1 . . . . 47 GLU HA . 11341 1 514 . 1 1 47 47 GLU HB2 H 1 2.084 0.030 . 1 . . . . 47 GLU HB2 . 11341 1 515 . 1 1 47 47 GLU HB3 H 1 2.084 0.030 . 1 . . . . 47 GLU HB3 . 11341 1 516 . 1 1 47 47 GLU HG2 H 1 2.270 0.030 . 2 . . . . 47 GLU HG2 . 11341 1 517 . 1 1 47 47 GLU HG3 H 1 2.451 0.030 . 2 . . . . 47 GLU HG3 . 11341 1 518 . 1 1 47 47 GLU CA C 13 58.172 0.300 . 1 . . . . 47 GLU CA . 11341 1 519 . 1 1 47 47 GLU CB C 13 30.475 0.300 . 1 . . . . 47 GLU CB . 11341 1 520 . 1 1 47 47 GLU CG C 13 36.745 0.300 . 1 . . . . 47 GLU CG . 11341 1 521 . 1 1 47 47 GLU N N 15 120.505 0.300 . 1 . . . . 47 GLU N . 11341 1 522 . 1 1 48 48 ASP H H 1 7.972 0.030 . 1 . . . . 48 ASP H . 11341 1 523 . 1 1 48 48 ASP HA H 1 4.695 0.030 . 1 . . . . 48 ASP HA . 11341 1 524 . 1 1 48 48 ASP HB2 H 1 2.596 0.030 . 2 . . . . 48 ASP HB2 . 11341 1 525 . 1 1 48 48 ASP HB3 H 1 2.838 0.030 . 2 . . . . 48 ASP HB3 . 11341 1 526 . 1 1 48 48 ASP C C 13 176.785 0.300 . 1 . . . . 48 ASP C . 11341 1 527 . 1 1 48 48 ASP CA C 13 53.541 0.300 . 1 . . . . 48 ASP CA . 11341 1 528 . 1 1 48 48 ASP CB C 13 40.771 0.300 . 1 . . . . 48 ASP CB . 11341 1 529 . 1 1 48 48 ASP N N 15 118.533 0.300 . 1 . . . . 48 ASP N . 11341 1 530 . 1 1 49 49 LEU H H 1 8.242 0.030 . 1 . . . . 49 LEU H . 11341 1 531 . 1 1 49 49 LEU HA H 1 3.993 0.030 . 1 . . . . 49 LEU HA . 11341 1 532 . 1 1 49 49 LEU HB2 H 1 1.441 0.030 . 2 . . . . 49 LEU HB2 . 11341 1 533 . 1 1 49 49 LEU HB3 H 1 1.627 0.030 . 2 . . . . 49 LEU HB3 . 11341 1 534 . 1 1 49 49 LEU HD11 H 1 0.792 0.030 . 1 . . . . 49 LEU HD1 . 11341 1 535 . 1 1 49 49 LEU HD12 H 1 0.792 0.030 . 1 . . . . 49 LEU HD1 . 11341 1 536 . 1 1 49 49 LEU HD13 H 1 0.792 0.030 . 1 . . . . 49 LEU HD1 . 11341 1 537 . 1 1 49 49 LEU HD21 H 1 0.513 0.030 . 1 . . . . 49 LEU HD2 . 11341 1 538 . 1 1 49 49 LEU HD22 H 1 0.513 0.030 . 1 . . . . 49 LEU HD2 . 11341 1 539 . 1 1 49 49 LEU HD23 H 1 0.513 0.030 . 1 . . . . 49 LEU HD2 . 11341 1 540 . 1 1 49 49 LEU HG H 1 1.537 0.030 . 1 . . . . 49 LEU HG . 11341 1 541 . 1 1 49 49 LEU C C 13 177.888 0.300 . 1 . . . . 49 LEU C . 11341 1 542 . 1 1 49 49 LEU CA C 13 56.023 0.300 . 1 . . . . 49 LEU CA . 11341 1 543 . 1 1 49 49 LEU CB C 13 41.716 0.300 . 1 . . . . 49 LEU CB . 11341 1 544 . 1 1 49 49 LEU CD1 C 13 25.202 0.300 . 2 . . . . 49 LEU CD1 . 11341 1 545 . 1 1 49 49 LEU CD2 C 13 22.535 0.300 . 2 . . . . 49 LEU CD2 . 11341 1 546 . 1 1 49 49 LEU CG C 13 26.980 0.300 . 1 . . . . 49 LEU CG . 11341 1 547 . 1 1 49 49 LEU N N 15 123.750 0.300 . 1 . . . . 49 LEU N . 11341 1 548 . 1 1 50 50 GLU H H 1 8.320 0.030 . 1 . . . . 50 GLU H . 11341 1 549 . 1 1 50 50 GLU HA H 1 4.243 0.030 . 1 . . . . 50 GLU HA . 11341 1 550 . 1 1 50 50 GLU HB2 H 1 1.971 0.030 . 2 . . . . 50 GLU HB2 . 11341 1 551 . 1 1 50 50 GLU HB3 H 1 2.150 0.030 . 2 . . . . 50 GLU HB3 . 11341 1 552 . 1 1 50 50 GLU HG2 H 1 2.262 0.030 . 2 . . . . 50 GLU HG2 . 11341 1 553 . 1 1 50 50 GLU HG3 H 1 2.170 0.030 . 2 . . . . 50 GLU HG3 . 11341 1 554 . 1 1 50 50 GLU C C 13 176.157 0.300 . 1 . . . . 50 GLU C . 11341 1 555 . 1 1 50 50 GLU CA C 13 56.598 0.300 . 1 . . . . 50 GLU CA . 11341 1 556 . 1 1 50 50 GLU CB C 13 29.713 0.300 . 1 . . . . 50 GLU CB . 11341 1 557 . 1 1 50 50 GLU CG C 13 36.581 0.300 . 1 . . . . 50 GLU CG . 11341 1 558 . 1 1 50 50 GLU N N 15 117.962 0.300 . 1 . . . . 50 GLU N . 11341 1 559 . 1 1 51 51 ARG H H 1 7.538 0.030 . 1 . . . . 51 ARG H . 11341 1 560 . 1 1 51 51 ARG HA H 1 4.332 0.030 . 1 . . . . 51 ARG HA . 11341 1 561 . 1 1 51 51 ARG HB2 H 1 1.725 0.030 . 2 . . . . 51 ARG HB2 . 11341 1 562 . 1 1 51 51 ARG HB3 H 1 1.597 0.030 . 2 . . . . 51 ARG HB3 . 11341 1 563 . 1 1 51 51 ARG HD2 H 1 2.898 0.030 . 1 . . . . 51 ARG HD2 . 11341 1 564 . 1 1 51 51 ARG HD3 H 1 2.898 0.030 . 1 . . . . 51 ARG HD3 . 11341 1 565 . 1 1 51 51 ARG HG2 H 1 1.444 0.030 . 2 . . . . 51 ARG HG2 . 11341 1 566 . 1 1 51 51 ARG HG3 H 1 1.332 0.030 . 2 . . . . 51 ARG HG3 . 11341 1 567 . 1 1 51 51 ARG C C 13 175.484 0.300 . 1 . . . . 51 ARG C . 11341 1 568 . 1 1 51 51 ARG CA C 13 55.087 0.300 . 1 . . . . 51 ARG CA . 11341 1 569 . 1 1 51 51 ARG CB C 13 31.925 0.300 . 1 . . . . 51 ARG CB . 11341 1 570 . 1 1 51 51 ARG CD C 13 43.160 0.300 . 1 . . . . 51 ARG CD . 11341 1 571 . 1 1 51 51 ARG CG C 13 26.627 0.300 . 1 . . . . 51 ARG CG . 11341 1 572 . 1 1 51 51 ARG N N 15 119.062 0.300 . 1 . . . . 51 ARG N . 11341 1 573 . 1 1 52 52 ASP H H 1 8.304 0.030 . 1 . . . . 52 ASP H . 11341 1 574 . 1 1 52 52 ASP HA H 1 4.542 0.030 . 1 . . . . 52 ASP HA . 11341 1 575 . 1 1 52 52 ASP HB2 H 1 2.574 0.030 . 2 . . . . 52 ASP HB2 . 11341 1 576 . 1 1 52 52 ASP HB3 H 1 2.494 0.030 . 2 . . . . 52 ASP HB3 . 11341 1 577 . 1 1 52 52 ASP C C 13 175.593 0.300 . 1 . . . . 52 ASP C . 11341 1 578 . 1 1 52 52 ASP CA C 13 54.560 0.300 . 1 . . . . 52 ASP CA . 11341 1 579 . 1 1 52 52 ASP CB C 13 41.129 0.300 . 1 . . . . 52 ASP CB . 11341 1 580 . 1 1 52 52 ASP N N 15 119.576 0.300 . 1 . . . . 52 ASP N . 11341 1 581 . 1 1 53 53 PHE H H 1 7.781 0.030 . 1 . . . . 53 PHE H . 11341 1 582 . 1 1 53 53 PHE HA H 1 4.293 0.030 . 1 . . . . 53 PHE HA . 11341 1 583 . 1 1 53 53 PHE HB2 H 1 2.708 0.030 . 2 . . . . 53 PHE HB2 . 11341 1 584 . 1 1 53 53 PHE HB3 H 1 2.236 0.030 . 2 . . . . 53 PHE HB3 . 11341 1 585 . 1 1 53 53 PHE HD1 H 1 7.021 0.030 . 1 . . . . 53 PHE HD1 . 11341 1 586 . 1 1 53 53 PHE HD2 H 1 7.021 0.030 . 1 . . . . 53 PHE HD2 . 11341 1 587 . 1 1 53 53 PHE HE1 H 1 7.139 0.030 . 1 . . . . 53 PHE HE1 . 11341 1 588 . 1 1 53 53 PHE HE2 H 1 7.139 0.030 . 1 . . . . 53 PHE HE2 . 11341 1 589 . 1 1 53 53 PHE HZ H 1 6.902 0.030 . 1 . . . . 53 PHE HZ . 11341 1 590 . 1 1 53 53 PHE C C 13 174.136 0.300 . 1 . . . . 53 PHE C . 11341 1 591 . 1 1 53 53 PHE CA C 13 55.151 0.300 . 1 . . . . 53 PHE CA . 11341 1 592 . 1 1 53 53 PHE CB C 13 39.640 0.300 . 1 . . . . 53 PHE CB . 11341 1 593 . 1 1 53 53 PHE CD1 C 13 131.906 0.300 . 1 . . . . 53 PHE CD1 . 11341 1 594 . 1 1 53 53 PHE CD2 C 13 131.906 0.300 . 1 . . . . 53 PHE CD2 . 11341 1 595 . 1 1 53 53 PHE CE1 C 13 131.581 0.300 . 1 . . . . 53 PHE CE1 . 11341 1 596 . 1 1 53 53 PHE CE2 C 13 131.581 0.300 . 1 . . . . 53 PHE CE2 . 11341 1 597 . 1 1 53 53 PHE CZ C 13 129.275 0.300 . 1 . . . . 53 PHE CZ . 11341 1 598 . 1 1 53 53 PHE N N 15 121.448 0.300 . 1 . . . . 53 PHE N . 11341 1 599 . 1 1 54 54 PRO HA H 1 4.537 0.030 . 1 . . . . 54 PRO HA . 11341 1 600 . 1 1 54 54 PRO HB2 H 1 2.161 0.030 . 2 . . . . 54 PRO HB2 . 11341 1 601 . 1 1 54 54 PRO HB3 H 1 2.004 0.030 . 2 . . . . 54 PRO HB3 . 11341 1 602 . 1 1 54 54 PRO HD2 H 1 3.170 0.030 . 2 . . . . 54 PRO HD2 . 11341 1 603 . 1 1 54 54 PRO HD3 H 1 3.735 0.030 . 2 . . . . 54 PRO HD3 . 11341 1 604 . 1 1 54 54 PRO HG2 H 1 2.023 0.030 . 1 . . . . 54 PRO HG2 . 11341 1 605 . 1 1 54 54 PRO HG3 H 1 2.023 0.030 . 1 . . . . 54 PRO HG3 . 11341 1 606 . 1 1 54 54 PRO C C 13 176.184 0.300 . 1 . . . . 54 PRO C . 11341 1 607 . 1 1 54 54 PRO CA C 13 62.644 0.300 . 1 . . . . 54 PRO CA . 11341 1 608 . 1 1 54 54 PRO CB C 13 31.154 0.300 . 1 . . . . 54 PRO CB . 11341 1 609 . 1 1 54 54 PRO CD C 13 50.722 0.300 . 1 . . . . 54 PRO CD . 11341 1 610 . 1 1 54 54 PRO CG C 13 27.220 0.300 . 1 . . . . 54 PRO CG . 11341 1 611 . 1 1 55 55 CYS H H 1 7.871 0.030 . 1 . . . . 55 CYS H . 11341 1 612 . 1 1 55 55 CYS HA H 1 4.355 0.030 . 1 . . . . 55 CYS HA . 11341 1 613 . 1 1 55 55 CYS HB2 H 1 3.105 0.030 . 2 . . . . 55 CYS HB2 . 11341 1 614 . 1 1 55 55 CYS HB3 H 1 2.921 0.030 . 2 . . . . 55 CYS HB3 . 11341 1 615 . 1 1 55 55 CYS C C 13 175.718 0.300 . 1 . . . . 55 CYS C . 11341 1 616 . 1 1 55 55 CYS CA C 13 56.249 0.300 . 1 . . . . 55 CYS CA . 11341 1 617 . 1 1 55 55 CYS CB C 13 31.880 0.300 . 1 . . . . 55 CYS CB . 11341 1 618 . 1 1 55 55 CYS N N 15 123.330 0.300 . 1 . . . . 55 CYS N . 11341 1 619 . 1 1 56 56 PRO HA H 1 3.973 0.030 . 1 . . . . 56 PRO HA . 11341 1 620 . 1 1 56 56 PRO HB2 H 1 1.346 0.030 . 2 . . . . 56 PRO HB2 . 11341 1 621 . 1 1 56 56 PRO HB3 H 1 0.959 0.030 . 2 . . . . 56 PRO HB3 . 11341 1 622 . 1 1 56 56 PRO HD2 H 1 3.731 0.030 . 2 . . . . 56 PRO HD2 . 11341 1 623 . 1 1 56 56 PRO HD3 H 1 2.723 0.030 . 2 . . . . 56 PRO HD3 . 11341 1 624 . 1 1 56 56 PRO HG2 H 1 1.253 0.030 . 2 . . . . 56 PRO HG2 . 11341 1 625 . 1 1 56 56 PRO HG3 H 1 0.912 0.030 . 2 . . . . 56 PRO HG3 . 11341 1 626 . 1 1 56 56 PRO CA C 13 63.340 0.300 . 1 . . . . 56 PRO CA . 11341 1 627 . 1 1 56 56 PRO CB C 13 31.443 0.300 . 1 . . . . 56 PRO CB . 11341 1 628 . 1 1 56 56 PRO CD C 13 50.467 0.300 . 1 . . . . 56 PRO CD . 11341 1 629 . 1 1 56 56 PRO CG C 13 26.091 0.300 . 1 . . . . 56 PRO CG . 11341 1 630 . 1 1 57 57 VAL H H 1 8.927 0.030 . 1 . . . . 57 VAL H . 11341 1 631 . 1 1 57 57 VAL HA H 1 4.076 0.030 . 1 . . . . 57 VAL HA . 11341 1 632 . 1 1 57 57 VAL HB H 1 1.375 0.030 . 1 . . . . 57 VAL HB . 11341 1 633 . 1 1 57 57 VAL HG11 H 1 0.509 0.030 . 1 . . . . 57 VAL HG1 . 11341 1 634 . 1 1 57 57 VAL HG12 H 1 0.509 0.030 . 1 . . . . 57 VAL HG1 . 11341 1 635 . 1 1 57 57 VAL HG13 H 1 0.509 0.030 . 1 . . . . 57 VAL HG1 . 11341 1 636 . 1 1 57 57 VAL HG21 H 1 0.313 0.030 . 1 . . . . 57 VAL HG2 . 11341 1 637 . 1 1 57 57 VAL HG22 H 1 0.313 0.030 . 1 . . . . 57 VAL HG2 . 11341 1 638 . 1 1 57 57 VAL HG23 H 1 0.313 0.030 . 1 . . . . 57 VAL HG2 . 11341 1 639 . 1 1 57 57 VAL C C 13 176.542 0.300 . 1 . . . . 57 VAL C . 11341 1 640 . 1 1 57 57 VAL CA C 13 62.726 0.300 . 1 . . . . 57 VAL CA . 11341 1 641 . 1 1 57 57 VAL CB C 13 33.209 0.300 . 1 . . . . 57 VAL CB . 11341 1 642 . 1 1 57 57 VAL CG1 C 13 21.503 0.300 . 2 . . . . 57 VAL CG1 . 11341 1 643 . 1 1 57 57 VAL CG2 C 13 20.540 0.300 . 2 . . . . 57 VAL CG2 . 11341 1 644 . 1 1 57 57 VAL N N 15 121.428 0.300 . 1 . . . . 57 VAL N . 11341 1 645 . 1 1 58 58 CYS H H 1 8.014 0.030 . 1 . . . . 58 CYS H . 11341 1 646 . 1 1 58 58 CYS HA H 1 3.983 0.030 . 1 . . . . 58 CYS HA . 11341 1 647 . 1 1 58 58 CYS HB2 H 1 2.696 0.030 . 2 . . . . 58 CYS HB2 . 11341 1 648 . 1 1 58 58 CYS HB3 H 1 3.091 0.030 . 2 . . . . 58 CYS HB3 . 11341 1 649 . 1 1 58 58 CYS C C 13 180.297 0.300 . 1 . . . . 58 CYS C . 11341 1 650 . 1 1 58 58 CYS CA C 13 66.807 0.300 . 1 . . . . 58 CYS CA . 11341 1 651 . 1 1 58 58 CYS CB C 13 31.059 0.300 . 1 . . . . 58 CYS CB . 11341 1 652 . 1 1 58 58 CYS N N 15 131.281 0.300 . 1 . . . . 58 CYS N . 11341 1 stop_ save_