################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 15333 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '3D C(CO)NH' . . . 15333 1 2 '3D HNCACB' . . . 15333 1 3 '3D H(CCO)NH' . . . 15333 1 4 '3D HCCH-TOCSY' . . . 15333 1 5 '3D HNCO' . . . 15333 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.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 GLU H H 1 8.476 0.008 . 1 . . . . . 10 GLU H . 15333 1 2 . 1 1 1 1 GLU HA H 1 4.239 0.001 . 1 . . . . . 10 GLU HA . 15333 1 3 . 1 1 1 1 GLU HB2 H 1 2.014 0.001 . 2 . . . . . 10 GLU HB2 . 15333 1 4 . 1 1 1 1 GLU HB3 H 1 2.014 0.001 . 2 . . . . . 10 GLU HB3 . 15333 1 5 . 1 1 1 1 GLU HG2 H 1 2.259 0.010 . 2 . . . . . 10 GLU HG2 . 15333 1 6 . 1 1 1 1 GLU HG3 H 1 2.259 0.010 . 2 . . . . . 10 GLU HG3 . 15333 1 7 . 1 1 1 1 GLU C C 13 176.140 0.3 . 1 . . . . . 10 GLU C . 15333 1 8 . 1 1 1 1 GLU CA C 13 56.541 0.3 . 1 . . . . . 10 GLU CA . 15333 1 9 . 1 1 1 1 GLU CB C 13 30.286 0.3 . 1 . . . . . 10 GLU CB . 15333 1 10 . 1 1 1 1 GLU CG C 13 36.288 0.3 . 1 . . . . . 10 GLU CG . 15333 1 11 . 1 1 1 1 GLU N N 15 121.669 0.003 . 1 . . . . . 10 GLU N . 15333 1 12 . 1 1 2 2 ASN H H 1 8.476 0.003 . 1 . . . . . 11 ASN H . 15333 1 13 . 1 1 2 2 ASN HA H 1 4.704 0.03 . 1 . . . . . 11 ASN HA . 15333 1 14 . 1 1 2 2 ASN HB2 H 1 2.847 0.03 . 2 . . . . . 11 ASN HB2 . 15333 1 15 . 1 1 2 2 ASN HB3 H 1 2.743 0.002 . 2 . . . . . 11 ASN HB3 . 15333 1 16 . 1 1 2 2 ASN C C 13 175.058 0.3 . 1 . . . . . 11 ASN C . 15333 1 17 . 1 1 2 2 ASN CA C 13 53.375 0.3 . 1 . . . . . 11 ASN CA . 15333 1 18 . 1 1 2 2 ASN CB C 13 38.913 0.3 . 1 . . . . . 11 ASN CB . 15333 1 19 . 1 1 2 2 ASN N N 15 119.245 0.3 . 1 . . . . . 11 ASN N . 15333 1 20 . 1 1 3 3 VAL H H 1 8.023 0.001 . 1 . . . . . 12 VAL H . 15333 1 21 . 1 1 3 3 VAL HA H 1 4.171 0.001 . 1 . . . . . 12 VAL HA . 15333 1 22 . 1 1 3 3 VAL HB H 1 2.108 0.003 . 1 . . . . . 12 VAL HB . 15333 1 23 . 1 1 3 3 VAL HG11 H 1 1.004 0.001 . 2 . . . . . 12 VAL HG1 . 15333 1 24 . 1 1 3 3 VAL HG12 H 1 1.004 0.001 . 2 . . . . . 12 VAL HG1 . 15333 1 25 . 1 1 3 3 VAL HG13 H 1 1.004 0.001 . 2 . . . . . 12 VAL HG1 . 15333 1 26 . 1 1 3 3 VAL HG21 H 1 0.893 0.003 . 2 . . . . . 12 VAL HG2 . 15333 1 27 . 1 1 3 3 VAL HG22 H 1 0.893 0.003 . 2 . . . . . 12 VAL HG2 . 15333 1 28 . 1 1 3 3 VAL HG23 H 1 0.893 0.003 . 2 . . . . . 12 VAL HG2 . 15333 1 29 . 1 1 3 3 VAL C C 13 176.120 0.3 . 1 . . . . . 12 VAL C . 15333 1 30 . 1 1 3 3 VAL CA C 13 61.975 0.3 . 1 . . . . . 12 VAL CA . 15333 1 31 . 1 1 3 3 VAL CB C 13 32.913 0.3 . 1 . . . . . 12 VAL CB . 15333 1 32 . 1 1 3 3 VAL CG1 C 13 20.725 0.3 . 1 . . . . . 12 VAL CG1 . 15333 1 33 . 1 1 3 3 VAL CG2 C 13 20.725 0.3 . 1 . . . . . 12 VAL CG2 . 15333 1 34 . 1 1 3 3 VAL N N 15 119.852 0.3 . 1 . . . . . 12 VAL N . 15333 1 35 . 1 1 4 4 SER H H 1 8.384 0.003 . 1 . . . . . 13 SER H . 15333 1 36 . 1 1 4 4 SER HA H 1 4.452 0.002 . 1 . . . . . 13 SER HA . 15333 1 37 . 1 1 4 4 SER HB2 H 1 3.846 0.03 . 2 . . . . . 13 SER HB2 . 15333 1 38 . 1 1 4 4 SER HB3 H 1 3.846 0.03 . 2 . . . . . 13 SER HB3 . 15333 1 39 . 1 1 4 4 SER C C 13 174.153 0.3 . 1 . . . . . 13 SER C . 15333 1 40 . 1 1 4 4 SER CA C 13 58.226 0.3 . 1 . . . . . 13 SER CA . 15333 1 41 . 1 1 4 4 SER CB C 13 63.663 0.3 . 1 . . . . . 13 SER CB . 15333 1 42 . 1 1 4 4 SER N N 15 119.429 0.3 . 1 . . . . . 13 SER N . 15333 1 43 . 1 1 5 5 GLN H H 1 8.299 0.003 . 1 . . . . . 14 GLN H . 15333 1 44 . 1 1 5 5 GLN HA H 1 4.332 0.03 . 1 . . . . . 14 GLN HA . 15333 1 45 . 1 1 5 5 GLN HB2 H 1 2.152 0.001 . 2 . . . . . 14 GLN HB2 . 15333 1 46 . 1 1 5 5 GLN HB3 H 1 2.152 0.001 . 2 . . . . . 14 GLN HB3 . 15333 1 47 . 1 1 5 5 GLN HG2 H 1 2.491 0.005 . 2 . . . . . 14 GLN HG2 . 15333 1 48 . 1 1 5 5 GLN HG3 H 1 2.491 0.005 . 2 . . . . . 14 GLN HG3 . 15333 1 49 . 1 1 5 5 GLN C C 13 175.152 0.3 . 1 . . . . . 14 GLN C . 15333 1 50 . 1 1 5 5 GLN CA C 13 56.164 0.3 . 1 . . . . . 14 GLN CA . 15333 1 51 . 1 1 5 5 GLN CB C 13 29.724 0.3 . 1 . . . . . 14 GLN CB . 15333 1 52 . 1 1 5 5 GLN CG C 13 33.663 0.3 . 1 . . . . . 14 GLN CG . 15333 1 53 . 1 1 5 5 GLN N N 15 123.721 0.3 . 1 . . . . . 14 GLN N . 15333 1 54 . 1 1 6 6 GLN H H 1 8.692 0.03 . 1 . . . . . 15 GLN H . 15333 1 55 . 1 1 6 6 GLN HA H 1 4.343 0.001 . 1 . . . . . 15 GLN HA . 15333 1 56 . 1 1 6 6 GLN HB2 H 1 2.068 0.03 . 2 . . . . . 15 GLN HB2 . 15333 1 57 . 1 1 6 6 GLN HB3 H 1 1.980 0.001 . 2 . . . . . 15 GLN HB3 . 15333 1 58 . 1 1 6 6 GLN HG2 H 1 2.359 0.03 . 2 . . . . . 15 GLN HG2 . 15333 1 59 . 1 1 6 6 GLN HG3 H 1 2.359 0.03 . 2 . . . . . 15 GLN HG3 . 15333 1 60 . 1 1 6 6 GLN C C 13 175.193 0.3 . 1 . . . . . 15 GLN C . 15333 1 61 . 1 1 6 6 GLN CA C 13 56.539 0.3 . 1 . . . . . 15 GLN CA . 15333 1 62 . 1 1 6 6 GLN CB C 13 30.474 0.3 . 1 . . . . . 15 GLN CB . 15333 1 63 . 1 1 6 6 GLN CG C 13 34.038 0.3 . 1 . . . . . 15 GLN CG . 15333 1 64 . 1 1 6 6 GLN N N 15 124.240 0.3 . 1 . . . . . 15 GLN N . 15333 1 65 . 1 1 7 7 ASN H H 1 8.291 0.001 . 1 . . . . . 16 ASN H . 15333 1 66 . 1 1 7 7 ASN HA H 1 5.049 0.015 . 1 . . . . . 16 ASN HA . 15333 1 67 . 1 1 7 7 ASN HB2 H 1 2.471 0.006 . 2 . . . . . 16 ASN HB2 . 15333 1 68 . 1 1 7 7 ASN HB3 H 1 2.320 0.03 . 2 . . . . . 16 ASN HB3 . 15333 1 69 . 1 1 7 7 ASN C C 13 175.141 0.3 . 1 . . . . . 16 ASN C . 15333 1 70 . 1 1 7 7 ASN CA C 13 52.224 0.3 . 1 . . . . . 16 ASN CA . 15333 1 71 . 1 1 7 7 ASN CB C 13 40.600 0.3 . 1 . . . . . 16 ASN CB . 15333 1 72 . 1 1 7 7 ASN N N 15 116.809 0.3 . 1 . . . . . 16 ASN N . 15333 1 73 . 1 1 8 8 CYS H H 1 8.737 0.03 . 1 . . . . . 17 CYS H . 15333 1 74 . 1 1 8 8 CYS HA H 1 4.584 0.001 . 1 . . . . . 17 CYS HA . 15333 1 75 . 1 1 8 8 CYS HB2 H 1 3.596 0.03 . 2 . . . . . 17 CYS HB2 . 15333 1 76 . 1 1 8 8 CYS HB3 H 1 2.388 0.001 . 2 . . . . . 17 CYS HB3 . 15333 1 77 . 1 1 8 8 CYS CA C 13 56.164 0.3 . 1 . . . . . 17 CYS CA . 15333 1 78 . 1 1 8 8 CYS CB C 13 31.976 0.3 . 1 . . . . . 17 CYS CB . 15333 1 79 . 1 1 8 8 CYS N N 15 127.386 0.3 . 1 . . . . . 17 CYS N . 15333 1 80 . 1 1 9 9 PRO HA H 1 4.457 0.002 . 1 . . . . . 18 PRO HA . 15333 1 81 . 1 1 9 9 PRO HB2 H 1 1.968 0.002 . 2 . . . . . 18 PRO HB2 . 15333 1 82 . 1 1 9 9 PRO HB3 H 1 1.968 0.002 . 2 . . . . . 18 PRO HB3 . 15333 1 83 . 1 1 9 9 PRO HD2 H 1 2.453 0.001 . 2 . . . . . 18 PRO HD2 . 15333 1 84 . 1 1 9 9 PRO HD3 H 1 2.453 0.001 . 2 . . . . . 18 PRO HD3 . 15333 1 85 . 1 1 9 9 PRO HG2 H 1 1.839 0.003 . 2 . . . . . 18 PRO HG2 . 15333 1 86 . 1 1 9 9 PRO HG3 H 1 1.839 0.003 . 2 . . . . . 18 PRO HG3 . 15333 1 87 . 1 1 9 9 PRO C C 13 175.922 0.3 . 1 . . . . . 18 PRO C . 15333 1 88 . 1 1 9 9 PRO CA C 13 63.663 0.3 . 1 . . . . . 18 PRO CA . 15333 1 89 . 1 1 9 9 PRO CB C 13 32.913 0.3 . 1 . . . . . 18 PRO CB . 15333 1 90 . 1 1 9 9 PRO CD C 13 50.724 0.3 . 1 . . . . . 18 PRO CD . 15333 1 91 . 1 1 9 9 PRO CG C 13 27.099 0.3 . 1 . . . . . 18 PRO CG . 15333 1 92 . 1 1 10 10 ILE H H 1 8.471 0.002 . 1 . . . . . 19 ILE H . 15333 1 93 . 1 1 10 10 ILE HA H 1 4.171 0.016 . 1 . . . . . 19 ILE HA . 15333 1 94 . 1 1 10 10 ILE HB H 1 2.150 0.017 . 1 . . . . . 19 ILE HB . 15333 1 95 . 1 1 10 10 ILE HD11 H 1 0.916 0.011 . 1 . . . . . 19 ILE HD1 . 15333 1 96 . 1 1 10 10 ILE HD12 H 1 0.916 0.011 . 1 . . . . . 19 ILE HD1 . 15333 1 97 . 1 1 10 10 ILE HD13 H 1 0.916 0.011 . 1 . . . . . 19 ILE HD1 . 15333 1 98 . 1 1 10 10 ILE HG12 H 1 1.512 0.015 . 2 . . . . . 19 ILE HG12 . 15333 1 99 . 1 1 10 10 ILE HG13 H 1 1.512 0.015 . 2 . . . . . 19 ILE HG13 . 15333 1 100 . 1 1 10 10 ILE HG21 H 1 1.012 0.010 . 1 . . . . . 19 ILE HG2 . 15333 1 101 . 1 1 10 10 ILE HG22 H 1 1.012 0.010 . 1 . . . . . 19 ILE HG2 . 15333 1 102 . 1 1 10 10 ILE HG23 H 1 1.012 0.010 . 1 . . . . . 19 ILE HG2 . 15333 1 103 . 1 1 10 10 ILE C C 13 175.891 0.3 . 1 . . . . . 19 ILE C . 15333 1 104 . 1 1 10 10 ILE CA C 13 62.350 0.3 . 1 . . . . . 19 ILE CA . 15333 1 105 . 1 1 10 10 ILE CB C 13 37.226 0.3 . 1 . . . . . 19 ILE CB . 15333 1 106 . 1 1 10 10 ILE CD1 C 13 12.288 0.3 . 1 . . . . . 19 ILE CD1 . 15333 1 107 . 1 1 10 10 ILE CG1 C 13 28.787 0.001 . 1 . . . . . 19 ILE CG1 . 15333 1 108 . 1 1 10 10 ILE CG2 C 13 16.413 0.001 . 1 . . . . . 19 ILE CG2 . 15333 1 109 . 1 1 10 10 ILE N N 15 121.858 0.005 . 1 . . . . . 19 ILE N . 15333 1 110 . 1 1 11 11 CYS H H 1 7.443 0.004 . 1 . . . . . 20 CYS H . 15333 1 111 . 1 1 11 11 CYS HA H 1 4.841 0.03 . 1 . . . . . 20 CYS HA . 15333 1 112 . 1 1 11 11 CYS HB2 H 1 3.245 0.03 . 2 . . . . . 20 CYS HB2 . 15333 1 113 . 1 1 11 11 CYS HB3 H 1 2.969 0.03 . 2 . . . . . 20 CYS HB3 . 15333 1 114 . 1 1 11 11 CYS C C 13 175.683 0.3 . 1 . . . . . 20 CYS C . 15333 1 115 . 1 1 11 11 CYS CA C 13 57.851 0.3 . 1 . . . . . 20 CYS CA . 15333 1 116 . 1 1 11 11 CYS CB C 13 31.601 0.3 . 1 . . . . . 20 CYS CB . 15333 1 117 . 1 1 11 11 CYS N N 15 115.827 0.3 . 1 . . . . . 20 CYS N . 15333 1 118 . 1 1 12 12 LEU H H 1 7.940 0.002 . 1 . . . . . 21 LEU H . 15333 1 119 . 1 1 12 12 LEU HA H 1 4.241 0.03 . 1 . . . . . 21 LEU HA . 15333 1 120 . 1 1 12 12 LEU HB2 H 1 2.166 0.03 . 2 . . . . . 21 LEU HB2 . 15333 1 121 . 1 1 12 12 LEU HB3 H 1 1.678 0.03 . 2 . . . . . 21 LEU HB3 . 15333 1 122 . 1 1 12 12 LEU HD11 H 1 0.883 0.001 . 2 . . . . . 21 LEU HD1 . 15333 1 123 . 1 1 12 12 LEU HD12 H 1 0.883 0.001 . 2 . . . . . 21 LEU HD1 . 15333 1 124 . 1 1 12 12 LEU HD13 H 1 0.883 0.001 . 2 . . . . . 21 LEU HD1 . 15333 1 125 . 1 1 12 12 LEU HD21 H 1 0.823 0.03 . 2 . . . . . 21 LEU HD2 . 15333 1 126 . 1 1 12 12 LEU HD22 H 1 0.823 0.03 . 2 . . . . . 21 LEU HD2 . 15333 1 127 . 1 1 12 12 LEU HD23 H 1 0.823 0.03 . 2 . . . . . 21 LEU HD2 . 15333 1 128 . 1 1 12 12 LEU HG H 1 1.409 0.002 . 1 . . . . . 21 LEU HG . 15333 1 129 . 1 1 12 12 LEU C C 13 176.286 0.3 . 1 . . . . . 21 LEU C . 15333 1 130 . 1 1 12 12 LEU CA C 13 56.726 0.3 . 1 . . . . . 21 LEU CA . 15333 1 131 . 1 1 12 12 LEU CB C 13 38.163 0.3 . 1 . . . . . 21 LEU CB . 15333 1 132 . 1 1 12 12 LEU CD1 C 13 25.037 0.3 . 1 . . . . . 21 LEU CD1 . 15333 1 133 . 1 1 12 12 LEU CD2 C 13 22.974 0.001 . 1 . . . . . 21 LEU CD2 . 15333 1 134 . 1 1 12 12 LEU CG C 13 27.474 0.001 . 1 . . . . . 21 LEU CG . 15333 1 135 . 1 1 12 12 LEU N N 15 118.743 0.3 . 1 . . . . . 21 LEU N . 15333 1 136 . 1 1 13 13 GLU H H 1 8.545 0.002 . 1 . . . . . 22 GLU H . 15333 1 137 . 1 1 13 13 GLU HA H 1 4.700 0.002 . 1 . . . . . 22 GLU HA . 15333 1 138 . 1 1 13 13 GLU HB2 H 1 2.257 0.007 . 2 . . . . . 22 GLU HB2 . 15333 1 139 . 1 1 13 13 GLU HB3 H 1 2.257 0.007 . 2 . . . . . 22 GLU HB3 . 15333 1 140 . 1 1 13 13 GLU HG2 H 1 2.400 0.001 . 2 . . . . . 22 GLU HG2 . 15333 1 141 . 1 1 13 13 GLU HG3 H 1 2.270 0.001 . 2 . . . . . 22 GLU HG3 . 15333 1 142 . 1 1 13 13 GLU C C 13 176.910 0.3 . 1 . . . . . 22 GLU C . 15333 1 143 . 1 1 13 13 GLU CA C 13 55.224 0.3 . 1 . . . . . 22 GLU CA . 15333 1 144 . 1 1 13 13 GLU CB C 13 31.414 0.3 . 1 . . . . . 22 GLU CB . 15333 1 145 . 1 1 13 13 GLU CG C 13 36.101 0.3 . 1 . . . . . 22 GLU CG . 15333 1 146 . 1 1 13 13 GLU N N 15 119.659 0.3 . 1 . . . . . 22 GLU N . 15333 1 147 . 1 1 14 14 ASP H H 1 8.705 0.03 . 1 . . . . . 23 ASP H . 15333 1 148 . 1 1 14 14 ASP HA H 1 4.732 0.03 . 1 . . . . . 23 ASP HA . 15333 1 149 . 1 1 14 14 ASP HB2 H 1 2.709 0.03 . 2 . . . . . 23 ASP HB2 . 15333 1 150 . 1 1 14 14 ASP HB3 H 1 2.619 0.03 . 2 . . . . . 23 ASP HB3 . 15333 1 151 . 1 1 14 14 ASP C C 13 177.077 0.3 . 1 . . . . . 23 ASP C . 15333 1 152 . 1 1 14 14 ASP CA C 13 55.414 0.3 . 1 . . . . . 23 ASP CA . 15333 1 153 . 1 1 14 14 ASP CB C 13 42.288 0.3 . 1 . . . . . 23 ASP CB . 15333 1 154 . 1 1 14 14 ASP N N 15 121.813 0.3 . 1 . . . . . 23 ASP N . 15333 1 155 . 1 1 15 15 ILE H H 1 8.603 0.03 . 1 . . . . . 24 ILE H . 15333 1 156 . 1 1 15 15 ILE HA H 1 4.173 0.03 . 1 . . . . . 24 ILE HA . 15333 1 157 . 1 1 15 15 ILE HB H 1 1.328 0.03 . 1 . . . . . 24 ILE HB . 15333 1 158 . 1 1 15 15 ILE HD11 H 1 0.206 0.001 . 1 . . . . . 24 ILE HD1 . 15333 1 159 . 1 1 15 15 ILE HD12 H 1 0.206 0.001 . 1 . . . . . 24 ILE HD1 . 15333 1 160 . 1 1 15 15 ILE HD13 H 1 0.206 0.001 . 1 . . . . . 24 ILE HD1 . 15333 1 161 . 1 1 15 15 ILE HG12 H 1 1.126 0.03 . 2 . . . . . 24 ILE HG12 . 15333 1 162 . 1 1 15 15 ILE HG13 H 1 1.126 0.03 . 2 . . . . . 24 ILE HG13 . 15333 1 163 . 1 1 15 15 ILE HG21 H 1 0.370 0.002 . 1 . . . . . 24 ILE HG2 . 15333 1 164 . 1 1 15 15 ILE HG22 H 1 0.370 0.002 . 1 . . . . . 24 ILE HG2 . 15333 1 165 . 1 1 15 15 ILE HG23 H 1 0.370 0.002 . 1 . . . . . 24 ILE HG2 . 15333 1 166 . 1 1 15 15 ILE C C 13 174.920 0.3 . 1 . . . . . 24 ILE C . 15333 1 167 . 1 1 15 15 ILE CA C 13 59.726 0.3 . 1 . . . . . 24 ILE CA . 15333 1 168 . 1 1 15 15 ILE CB C 13 40.413 0.3 . 1 . . . . . 24 ILE CB . 15333 1 169 . 1 1 15 15 ILE CD1 C 13 13.788 0.3 . 1 . . . . . 24 ILE CD1 . 15333 1 170 . 1 1 15 15 ILE CG1 C 13 28.974 0.001 . 1 . . . . . 24 ILE CG1 . 15333 1 171 . 1 1 15 15 ILE CG2 C 13 17.163 0.3 . 1 . . . . . 24 ILE CG2 . 15333 1 172 . 1 1 15 15 ILE N N 15 123.686 0.3 . 1 . . . . . 24 ILE N . 15333 1 173 . 1 1 16 16 HIS H H 1 8.581 0.03 . 1 . . . . . 25 HIS H . 15333 1 174 . 1 1 16 16 HIS HA H 1 4.685 0.002 . 1 . . . . . 25 HIS HA . 15333 1 175 . 1 1 16 16 HIS HB2 H 1 3.227 0.03 . 2 . . . . . 25 HIS HB2 . 15333 1 176 . 1 1 16 16 HIS HB3 H 1 3.227 0.03 . 2 . . . . . 25 HIS HB3 . 15333 1 177 . 1 1 16 16 HIS HD2 H 1 7.165 0.03 . 1 . . . . . 25 HIS HD2 . 15333 1 178 . 1 1 16 16 HIS C C 13 176.609 0.3 . 1 . . . . . 25 HIS C . 15333 1 179 . 1 1 16 16 HIS CA C 13 56.913 0.3 . 1 . . . . . 25 HIS CA . 15333 1 180 . 1 1 16 16 HIS CB C 13 30.474 0.3 . 1 . . . . . 25 HIS CB . 15333 1 181 . 1 1 16 16 HIS CD2 C 13 119.367 0.3 . 1 . . . . . 25 HIS CD2 . 15333 1 182 . 1 1 16 16 HIS N N 15 123.042 0.3 . 1 . . . . . 25 HIS N . 15333 1 183 . 1 1 17 17 THR H H 1 8.241 0.03 . 1 . . . . . 26 THR H . 15333 1 184 . 1 1 17 17 THR HA H 1 4.303 0.014 . 1 . . . . . 26 THR HA . 15333 1 185 . 1 1 17 17 THR HB H 1 4.376 0.006 . 1 . . . . . 26 THR HB . 15333 1 186 . 1 1 17 17 THR HG21 H 1 1.217 0.005 . 1 . . . . . 26 THR HG2 . 15333 1 187 . 1 1 17 17 THR HG22 H 1 1.217 0.005 . 1 . . . . . 26 THR HG2 . 15333 1 188 . 1 1 17 17 THR HG23 H 1 1.217 0.005 . 1 . . . . . 26 THR HG2 . 15333 1 189 . 1 1 17 17 THR C C 13 175.037 0.3 . 1 . . . . . 26 THR C . 15333 1 190 . 1 1 17 17 THR CA C 13 62.913 0.3 . 1 . . . . . 26 THR CA . 15333 1 191 . 1 1 17 17 THR CB C 13 68.912 0.3 . 1 . . . . . 26 THR CB . 15333 1 192 . 1 1 17 17 THR CG2 C 13 21.850 0.3 . 1 . . . . . 26 THR CG2 . 15333 1 193 . 1 1 17 17 THR N N 15 114.128 0.3 . 1 . . . . . 26 THR N . 15333 1 194 . 1 1 18 18 SER H H 1 8.160 0.03 . 1 . . . . . 27 SER H . 15333 1 195 . 1 1 18 18 SER HA H 1 4.514 0.001 . 1 . . . . . 27 SER HA . 15333 1 196 . 1 1 18 18 SER HB2 H 1 4.022 0.03 . 2 . . . . . 27 SER HB2 . 15333 1 197 . 1 1 18 18 SER HB3 H 1 3.942 0.001 . 2 . . . . . 27 SER HB3 . 15333 1 198 . 1 1 18 18 SER C C 13 175.058 0.3 . 1 . . . . . 27 SER C . 15333 1 199 . 1 1 18 18 SER CA C 13 58.413 0.3 . 1 . . . . . 27 SER CA . 15333 1 200 . 1 1 18 18 SER CB C 13 63.100 0.001 . 1 . . . . . 27 SER CB . 15333 1 201 . 1 1 18 18 SER N N 15 116.330 0.3 . 1 . . . . . 27 SER N . 15333 1 202 . 1 1 19 19 ARG H H 1 8.200 0.004 . 1 . . . . . 28 ARG H . 15333 1 203 . 1 1 19 19 ARG HA H 1 4.233 0.002 . 1 . . . . . 28 ARG HA . 15333 1 204 . 1 1 19 19 ARG HB2 H 1 1.942 0.001 . 2 . . . . . 28 ARG HB2 . 15333 1 205 . 1 1 19 19 ARG HB3 H 1 1.864 0.03 . 2 . . . . . 28 ARG HB3 . 15333 1 206 . 1 1 19 19 ARG HD2 H 1 3.178 0.001 . 2 . . . . . 28 ARG HD2 . 15333 1 207 . 1 1 19 19 ARG HD3 H 1 3.178 0.001 . 2 . . . . . 28 ARG HD3 . 15333 1 208 . 1 1 19 19 ARG HG2 H 1 1.632 0.03 . 2 . . . . . 28 ARG HG2 . 15333 1 209 . 1 1 19 19 ARG HG3 H 1 1.632 0.03 . 2 . . . . . 28 ARG HG3 . 15333 1 210 . 1 1 19 19 ARG C C 13 176.463 0.3 . 1 . . . . . 28 ARG C . 15333 1 211 . 1 1 19 19 ARG CA C 13 57.293 0.016 . 1 . . . . . 28 ARG CA . 15333 1 212 . 1 1 19 19 ARG CB C 13 30.474 0.3 . 1 . . . . . 28 ARG CB . 15333 1 213 . 1 1 19 19 ARG CD C 13 43.225 0.3 . 1 . . . . . 28 ARG CD . 15333 1 214 . 1 1 19 19 ARG CG C 13 27.287 0.3 . 1 . . . . . 28 ARG CG . 15333 1 215 . 1 1 19 19 ARG N N 15 121.067 0.003 . 1 . . . . . 28 ARG N . 15333 1 216 . 1 1 20 20 VAL H H 1 7.789 0.001 . 1 . . . . . 29 VAL H . 15333 1 217 . 1 1 20 20 VAL HA H 1 4.294 0.001 . 1 . . . . . 29 VAL HA . 15333 1 218 . 1 1 20 20 VAL HB H 1 2.163 0.03 . 1 . . . . . 29 VAL HB . 15333 1 219 . 1 1 20 20 VAL HG11 H 1 1.036 0.001 . 2 . . . . . 29 VAL HG1 . 15333 1 220 . 1 1 20 20 VAL HG12 H 1 1.036 0.001 . 2 . . . . . 29 VAL HG1 . 15333 1 221 . 1 1 20 20 VAL HG13 H 1 1.036 0.001 . 2 . . . . . 29 VAL HG1 . 15333 1 222 . 1 1 20 20 VAL HG21 H 1 1.036 0.001 . 2 . . . . . 29 VAL HG2 . 15333 1 223 . 1 1 20 20 VAL HG22 H 1 1.036 0.001 . 2 . . . . . 29 VAL HG2 . 15333 1 224 . 1 1 20 20 VAL HG23 H 1 1.036 0.001 . 2 . . . . . 29 VAL HG2 . 15333 1 225 . 1 1 20 20 VAL C C 13 175.599 0.3 . 1 . . . . . 29 VAL C . 15333 1 226 . 1 1 20 20 VAL CA C 13 61.601 0.3 . 1 . . . . . 29 VAL CA . 15333 1 227 . 1 1 20 20 VAL CB C 13 33.476 0.3 . 1 . . . . . 29 VAL CB . 15333 1 228 . 1 1 20 20 VAL CG1 C 13 21.475 0.3 . 1 . . . . . 29 VAL CG1 . 15333 1 229 . 1 1 20 20 VAL N N 15 117.329 0.3 . 1 . . . . . 29 VAL N . 15333 1 230 . 1 1 21 21 VAL H H 1 8.068 0.003 . 1 . . . . . 30 VAL H . 15333 1 231 . 1 1 21 21 VAL HA H 1 4.253 0.001 . 1 . . . . . 30 VAL HA . 15333 1 232 . 1 1 21 21 VAL HB H 1 2.257 0.001 . 1 . . . . . 30 VAL HB . 15333 1 233 . 1 1 21 21 VAL HG11 H 1 1.036 0.001 . 2 . . . . . 30 VAL HG1 . 15333 1 234 . 1 1 21 21 VAL HG12 H 1 1.036 0.001 . 2 . . . . . 30 VAL HG1 . 15333 1 235 . 1 1 21 21 VAL HG13 H 1 1.036 0.001 . 2 . . . . . 30 VAL HG1 . 15333 1 236 . 1 1 21 21 VAL HG21 H 1 1.054 0.001 . 2 . . . . . 30 VAL HG2 . 15333 1 237 . 1 1 21 21 VAL HG22 H 1 1.054 0.001 . 2 . . . . . 30 VAL HG2 . 15333 1 238 . 1 1 21 21 VAL HG23 H 1 1.054 0.001 . 2 . . . . . 30 VAL HG2 . 15333 1 239 . 1 1 21 21 VAL C C 13 175.589 0.3 . 1 . . . . . 30 VAL C . 15333 1 240 . 1 1 21 21 VAL CA C 13 62.163 0.3 . 1 . . . . . 30 VAL CA . 15333 1 241 . 1 1 21 21 VAL CB C 13 32.164 0.3 . 1 . . . . . 30 VAL CB . 15333 1 242 . 1 1 21 21 VAL CG1 C 13 21.661 0.001 . 1 . . . . . 30 VAL CG1 . 15333 1 243 . 1 1 21 21 VAL CG2 C 13 20.725 0.3 . 1 . . . . . 30 VAL CG2 . 15333 1 244 . 1 1 21 21 VAL N N 15 121.049 0.3 . 1 . . . . . 30 VAL N . 15333 1 245 . 1 1 22 22 ALA H H 1 8.303 0.099 . 1 . . . . . 31 ALA H . 15333 1 246 . 1 1 22 22 ALA HA H 1 4.609 0.001 . 1 . . . . . 31 ALA HA . 15333 1 247 . 1 1 22 22 ALA HB1 H 1 1.271 0.004 . 1 . . . . . 31 ALA HB . 15333 1 248 . 1 1 22 22 ALA HB2 H 1 1.271 0.004 . 1 . . . . . 31 ALA HB . 15333 1 249 . 1 1 22 22 ALA HB3 H 1 1.271 0.004 . 1 . . . . . 31 ALA HB . 15333 1 250 . 1 1 22 22 ALA C C 13 176.307 0.3 . 1 . . . . . 31 ALA C . 15333 1 251 . 1 1 22 22 ALA CA C 13 51.662 0.3 . 1 . . . . . 31 ALA CA . 15333 1 252 . 1 1 22 22 ALA CB C 13 20.725 0.3 . 1 . . . . . 31 ALA CB . 15333 1 253 . 1 1 22 22 ALA N N 15 127.856 0.3 . 1 . . . . . 31 ALA N . 15333 1 254 . 1 1 23 23 HIS H H 1 9.100 0.002 . 1 . . . . . 32 HIS H . 15333 1 255 . 1 1 23 23 HIS HA H 1 4.488 0.001 . 1 . . . . . 32 HIS HA . 15333 1 256 . 1 1 23 23 HIS HB2 H 1 2.707 0.001 . 2 . . . . . 32 HIS HB2 . 15333 1 257 . 1 1 23 23 HIS HB3 H 1 2.516 0.002 . 2 . . . . . 32 HIS HB3 . 15333 1 258 . 1 1 23 23 HIS HD2 H 1 5.736 0.03 . 1 . . . . . 32 HIS HD2 . 15333 1 259 . 1 1 23 23 HIS C C 13 173.154 0.3 . 1 . . . . . 32 HIS C . 15333 1 260 . 1 1 23 23 HIS CA C 13 56.164 0.3 . 1 . . . . . 32 HIS CA . 15333 1 261 . 1 1 23 23 HIS CB C 13 33.476 0.3 . 1 . . . . . 32 HIS CB . 15333 1 262 . 1 1 23 23 HIS CD2 C 13 117.199 0.3 . 1 . . . . . 32 HIS CD2 . 15333 1 263 . 1 1 23 23 HIS N N 15 121.613 0.3 . 1 . . . . . 32 HIS N . 15333 1 264 . 1 1 24 24 VAL H H 1 7.498 0.003 . 1 . . . . . 33 VAL H . 15333 1 265 . 1 1 24 24 VAL HA H 1 4.130 0.002 . 1 . . . . . 33 VAL HA . 15333 1 266 . 1 1 24 24 VAL HB H 1 1.706 0.001 . 1 . . . . . 33 VAL HB . 15333 1 267 . 1 1 24 24 VAL HG11 H 1 0.794 0.001 . 2 . . . . . 33 VAL HG1 . 15333 1 268 . 1 1 24 24 VAL HG12 H 1 0.794 0.001 . 2 . . . . . 33 VAL HG1 . 15333 1 269 . 1 1 24 24 VAL HG13 H 1 0.794 0.001 . 2 . . . . . 33 VAL HG1 . 15333 1 270 . 1 1 24 24 VAL HG21 H 1 0.745 0.001 . 2 . . . . . 33 VAL HG2 . 15333 1 271 . 1 1 24 24 VAL HG22 H 1 0.745 0.001 . 2 . . . . . 33 VAL HG2 . 15333 1 272 . 1 1 24 24 VAL HG23 H 1 0.745 0.001 . 2 . . . . . 33 VAL HG2 . 15333 1 273 . 1 1 24 24 VAL C C 13 175.859 0.3 . 1 . . . . . 33 VAL C . 15333 1 274 . 1 1 24 24 VAL CA C 13 61.038 0.3 . 1 . . . . . 33 VAL CA . 15333 1 275 . 1 1 24 24 VAL CB C 13 31.976 0.3 . 1 . . . . . 33 VAL CB . 15333 1 276 . 1 1 24 24 VAL CG1 C 13 20.724 0.001 . 1 . . . . . 33 VAL CG1 . 15333 1 277 . 1 1 24 24 VAL CG2 C 13 20.537 0.3 . 1 . . . . . 33 VAL CG2 . 15333 1 278 . 1 1 24 24 VAL N N 15 126.760 0.003 . 1 . . . . . 33 VAL N . 15333 1 279 . 1 1 25 25 LEU H H 1 8.426 0.002 . 1 . . . . . 34 LEU H . 15333 1 280 . 1 1 25 25 LEU HA H 1 4.461 0.03 . 1 . . . . . 34 LEU HA . 15333 1 281 . 1 1 25 25 LEU HB2 H 1 2.433 0.001 . 2 . . . . . 34 LEU HB2 . 15333 1 282 . 1 1 25 25 LEU HB3 H 1 1.902 0.001 . 2 . . . . . 34 LEU HB3 . 15333 1 283 . 1 1 25 25 LEU HD11 H 1 1.126 0.03 . 2 . . . . . 34 LEU HD1 . 15333 1 284 . 1 1 25 25 LEU HD12 H 1 1.126 0.03 . 2 . . . . . 34 LEU HD1 . 15333 1 285 . 1 1 25 25 LEU HD13 H 1 1.126 0.03 . 2 . . . . . 34 LEU HD1 . 15333 1 286 . 1 1 25 25 LEU HD21 H 1 1.144 0.001 . 2 . . . . . 34 LEU HD2 . 15333 1 287 . 1 1 25 25 LEU HD22 H 1 1.144 0.001 . 2 . . . . . 34 LEU HD2 . 15333 1 288 . 1 1 25 25 LEU HD23 H 1 1.144 0.001 . 2 . . . . . 34 LEU HD2 . 15333 1 289 . 1 1 25 25 LEU HG H 1 1.753 0.03 . 1 . . . . . 34 LEU HG . 15333 1 290 . 1 1 25 25 LEU CA C 13 54.661 0.3 . 1 . . . . . 34 LEU CA . 15333 1 291 . 1 1 25 25 LEU CB C 13 43.787 0.3 . 1 . . . . . 34 LEU CB . 15333 1 292 . 1 1 25 25 LEU CD1 C 13 26.162 0.3 . 1 . . . . . 34 LEU CD1 . 15333 1 293 . 1 1 25 25 LEU CD2 C 13 23.537 0.001 . 1 . . . . . 34 LEU CD2 . 15333 1 294 . 1 1 25 25 LEU CG C 13 28.224 0.001 . 1 . . . . . 34 LEU CG . 15333 1 295 . 1 1 25 25 LEU N N 15 127.479 0.3 . 1 . . . . . 34 LEU N . 15333 1 296 . 1 1 26 26 PRO HA H 1 4.302 0.001 . 1 . . . . . 35 PRO HA . 15333 1 297 . 1 1 26 26 PRO HB2 H 1 2.447 0.002 . 2 . . . . . 35 PRO HB2 . 15333 1 298 . 1 1 26 26 PRO HB3 H 1 1.974 0.001 . 2 . . . . . 35 PRO HB3 . 15333 1 299 . 1 1 26 26 PRO HD2 H 1 4.047 0.001 . 2 . . . . . 35 PRO HD2 . 15333 1 300 . 1 1 26 26 PRO HD3 H 1 3.905 0.03 . 2 . . . . . 35 PRO HD3 . 15333 1 301 . 1 1 26 26 PRO HG2 H 1 2.239 0.001 . 2 . . . . . 35 PRO HG2 . 15333 1 302 . 1 1 26 26 PRO HG3 H 1 2.106 0.03 . 2 . . . . . 35 PRO HG3 . 15333 1 303 . 1 1 26 26 PRO C C 13 176.494 0.3 . 1 . . . . . 35 PRO C . 15333 1 304 . 1 1 26 26 PRO CA C 13 65.350 0.3 . 1 . . . . . 35 PRO CA . 15333 1 305 . 1 1 26 26 PRO CB C 13 31.789 0.3 . 1 . . . . . 35 PRO CB . 15333 1 306 . 1 1 26 26 PRO CD C 13 50.537 0.3 . 1 . . . . . 35 PRO CD . 15333 1 307 . 1 1 26 26 PRO CG C 13 28.037 0.3 . 1 . . . . . 35 PRO CG . 15333 1 308 . 1 1 27 27 CYS H H 1 7.266 0.004 . 1 . . . . . 36 CYS H . 15333 1 309 . 1 1 27 27 CYS HA H 1 4.407 0.03 . 1 . . . . . 36 CYS HA . 15333 1 310 . 1 1 27 27 CYS HB2 H 1 2.827 0.001 . 2 . . . . . 36 CYS HB2 . 15333 1 311 . 1 1 27 27 CYS HB3 H 1 2.827 0.001 . 2 . . . . . 36 CYS HB3 . 15333 1 312 . 1 1 27 27 CYS C C 13 176.016 0.3 . 1 . . . . . 36 CYS C . 15333 1 313 . 1 1 27 27 CYS CA C 13 56.726 0.3 . 1 . . . . . 36 CYS CA . 15333 1 314 . 1 1 27 27 CYS CB C 13 31.601 0.3 . 1 . . . . . 36 CYS CB . 15333 1 315 . 1 1 27 27 CYS N N 15 111.241 0.3 . 1 . . . . . 36 CYS N . 15333 1 316 . 1 1 28 28 GLY H H 1 8.211 0.003 . 1 . . . . . 37 GLY H . 15333 1 317 . 1 1 28 28 GLY HA2 H 1 4.122 0.001 . 2 . . . . . 37 GLY HA2 . 15333 1 318 . 1 1 28 28 GLY HA3 H 1 3.329 0.001 . 2 . . . . . 37 GLY HA3 . 15333 1 319 . 1 1 28 28 GLY C C 13 173.903 0.3 . 1 . . . . . 37 GLY C . 15333 1 320 . 1 1 28 28 GLY CA C 13 44.725 0.3 . 1 . . . . . 37 GLY CA . 15333 1 321 . 1 1 28 28 GLY N N 15 111.309 0.3 . 1 . . . . . 37 GLY N . 15333 1 322 . 1 1 29 29 HIS H H 1 8.109 0.002 . 1 . . . . . 38 HIS H . 15333 1 323 . 1 1 29 29 HIS HA H 1 4.622 0.03 . 1 . . . . . 38 HIS HA . 15333 1 324 . 1 1 29 29 HIS HB2 H 1 3.392 0.001 . 2 . . . . . 38 HIS HB2 . 15333 1 325 . 1 1 29 29 HIS HB3 H 1 2.832 0.001 . 2 . . . . . 38 HIS HB3 . 15333 1 326 . 1 1 29 29 HIS HE1 H 1 7.785 0.03 . 1 . . . . . 38 HIS HE1 . 15333 1 327 . 1 1 29 29 HIS C C 13 173.029 0.3 . 1 . . . . . 38 HIS C . 15333 1 328 . 1 1 29 29 HIS CA C 13 59.351 0.3 . 1 . . . . . 38 HIS CA . 15333 1 329 . 1 1 29 29 HIS CB C 13 31.224 0.3 . 1 . . . . . 38 HIS CB . 15333 1 330 . 1 1 29 29 HIS CE1 C 13 137.743 0.3 . 1 . . . . . 38 HIS CE1 . 15333 1 331 . 1 1 29 29 HIS N N 15 121.624 0.3 . 1 . . . . . 38 HIS N . 15333 1 332 . 1 1 30 30 LEU H H 1 8.923 0.003 . 1 . . . . . 39 LEU H . 15333 1 333 . 1 1 30 30 LEU HA H 1 5.112 0.03 . 1 . . . . . 39 LEU HA . 15333 1 334 . 1 1 30 30 LEU HB2 H 1 1.460 0.001 . 2 . . . . . 39 LEU HB2 . 15333 1 335 . 1 1 30 30 LEU HB3 H 1 1.174 0.001 . 2 . . . . . 39 LEU HB3 . 15333 1 336 . 1 1 30 30 LEU HD11 H 1 0.808 0.002 . 2 . . . . . 39 LEU HD1 . 15333 1 337 . 1 1 30 30 LEU HD12 H 1 0.808 0.002 . 2 . . . . . 39 LEU HD1 . 15333 1 338 . 1 1 30 30 LEU HD13 H 1 0.808 0.002 . 2 . . . . . 39 LEU HD1 . 15333 1 339 . 1 1 30 30 LEU HD21 H 1 0.714 0.001 . 2 . . . . . 39 LEU HD2 . 15333 1 340 . 1 1 30 30 LEU HD22 H 1 0.714 0.001 . 2 . . . . . 39 LEU HD2 . 15333 1 341 . 1 1 30 30 LEU HD23 H 1 0.714 0.001 . 2 . . . . . 39 LEU HD2 . 15333 1 342 . 1 1 30 30 LEU HG H 1 1.619 0.03 . 1 . . . . . 39 LEU HG . 15333 1 343 . 1 1 30 30 LEU C C 13 176.380 0.3 . 1 . . . . . 39 LEU C . 15333 1 344 . 1 1 30 30 LEU CA C 13 54.474 0.3 . 1 . . . . . 39 LEU CA . 15333 1 345 . 1 1 30 30 LEU CB C 13 45.662 0.3 . 1 . . . . . 39 LEU CB . 15333 1 346 . 1 1 30 30 LEU CD1 C 13 25.599 0.001 . 1 . . . . . 39 LEU CD1 . 15333 1 347 . 1 1 30 30 LEU CD2 C 13 25.412 0.001 . 1 . . . . . 39 LEU CD2 . 15333 1 348 . 1 1 30 30 LEU CG C 13 28.224 0.001 . 1 . . . . . 39 LEU CG . 15333 1 349 . 1 1 30 30 LEU N N 15 120.785 0.004 . 1 . . . . . 39 LEU N . 15333 1 350 . 1 1 31 31 LEU H H 1 8.586 0.001 . 1 . . . . . 40 LEU H . 15333 1 351 . 1 1 31 31 LEU HA H 1 5.144 0.03 . 1 . . . . . 40 LEU HA . 15333 1 352 . 1 1 31 31 LEU HB2 H 1 1.874 0.001 . 2 . . . . . 40 LEU HB2 . 15333 1 353 . 1 1 31 31 LEU HB3 H 1 1.625 0.001 . 2 . . . . . 40 LEU HB3 . 15333 1 354 . 1 1 31 31 LEU HD11 H 1 1.066 0.001 . 2 . . . . . 40 LEU HD1 . 15333 1 355 . 1 1 31 31 LEU HD12 H 1 1.066 0.001 . 2 . . . . . 40 LEU HD1 . 15333 1 356 . 1 1 31 31 LEU HD13 H 1 1.066 0.001 . 2 . . . . . 40 LEU HD1 . 15333 1 357 . 1 1 31 31 LEU HD21 H 1 1.066 0.001 . 2 . . . . . 40 LEU HD2 . 15333 1 358 . 1 1 31 31 LEU HD22 H 1 1.066 0.001 . 2 . . . . . 40 LEU HD2 . 15333 1 359 . 1 1 31 31 LEU HD23 H 1 1.066 0.001 . 2 . . . . . 40 LEU HD2 . 15333 1 360 . 1 1 31 31 LEU HG H 1 1.867 0.001 . 1 . . . . . 40 LEU HG . 15333 1 361 . 1 1 31 31 LEU C C 13 177.701 0.3 . 1 . . . . . 40 LEU C . 15333 1 362 . 1 1 31 31 LEU CA C 13 53.161 0.3 . 1 . . . . . 40 LEU CA . 15333 1 363 . 1 1 31 31 LEU CB C 13 47.350 0.3 . 1 . . . . . 40 LEU CB . 15333 1 364 . 1 1 31 31 LEU CD1 C 13 26.724 0.3 . 1 . . . . . 40 LEU CD1 . 15333 1 365 . 1 1 31 31 LEU CG C 13 28.224 0.3 . 1 . . . . . 40 LEU CG . 15333 1 366 . 1 1 31 31 LEU N N 15 117.837 0.3 . 1 . . . . . 40 LEU N . 15333 1 367 . 1 1 32 32 HIS H H 1 7.726 0.001 . 1 . . . . . 41 HIS H . 15333 1 368 . 1 1 32 32 HIS HA H 1 4.693 0.03 . 1 . . . . . 41 HIS HA . 15333 1 369 . 1 1 32 32 HIS HB2 H 1 3.951 0.001 . 2 . . . . . 41 HIS HB2 . 15333 1 370 . 1 1 32 32 HIS HB3 H 1 3.678 0.001 . 2 . . . . . 41 HIS HB3 . 15333 1 371 . 1 1 32 32 HIS HE1 H 1 7.356 0.03 . 1 . . . . . 41 HIS HE1 . 15333 1 372 . 1 1 32 32 HIS C C 13 176.994 0.3 . 1 . . . . . 41 HIS C . 15333 1 373 . 1 1 32 32 HIS CA C 13 59.913 0.3 . 1 . . . . . 41 HIS CA . 15333 1 374 . 1 1 32 32 HIS CB C 13 31.036 0.3 . 1 . . . . . 41 HIS CB . 15333 1 375 . 1 1 32 32 HIS CE1 C 13 139.031 0.3 . 1 . . . . . 41 HIS CE1 . 15333 1 376 . 1 1 32 32 HIS N N 15 118.242 0.032 . 1 . . . . . 41 HIS N . 15333 1 377 . 1 1 33 33 ARG H H 1 9.564 0.001 . 1 . . . . . 42 ARG H . 15333 1 378 . 1 1 33 33 ARG HA H 1 4.055 0.001 . 1 . . . . . 42 ARG HA . 15333 1 379 . 1 1 33 33 ARG HB2 H 1 2.008 0.001 . 2 . . . . . 42 ARG HB2 . 15333 1 380 . 1 1 33 33 ARG HB3 H 1 2.008 0.001 . 2 . . . . . 42 ARG HB3 . 15333 1 381 . 1 1 33 33 ARG HD2 H 1 3.295 0.03 . 2 . . . . . 42 ARG HD2 . 15333 1 382 . 1 1 33 33 ARG HD3 H 1 3.295 0.03 . 2 . . . . . 42 ARG HD3 . 15333 1 383 . 1 1 33 33 ARG HG2 H 1 1.832 0.03 . 2 . . . . . 42 ARG HG2 . 15333 1 384 . 1 1 33 33 ARG HG3 H 1 1.832 0.03 . 2 . . . . . 42 ARG HG3 . 15333 1 385 . 1 1 33 33 ARG C C 13 178.388 0.3 . 1 . . . . . 42 ARG C . 15333 1 386 . 1 1 33 33 ARG CA C 13 60.476 0.3 . 1 . . . . . 42 ARG CA . 15333 1 387 . 1 1 33 33 ARG CB C 13 29.536 0.3 . 1 . . . . . 42 ARG CB . 15333 1 388 . 1 1 33 33 ARG CD C 13 43.225 0.3 . 1 . . . . . 42 ARG CD . 15333 1 389 . 1 1 33 33 ARG CG C 13 27.287 0.001 . 1 . . . . . 42 ARG CG . 15333 1 390 . 1 1 33 33 ARG N N 15 124.900 0.3 . 1 . . . . . 42 ARG N . 15333 1 391 . 1 1 34 34 THR H H 1 8.386 0.03 . 1 . . . . . 43 THR H . 15333 1 392 . 1 1 34 34 THR HA H 1 4.101 0.03 . 1 . . . . . 43 THR HA . 15333 1 393 . 1 1 34 34 THR HB H 1 4.254 0.001 . 1 . . . . . 43 THR HB . 15333 1 394 . 1 1 34 34 THR HG21 H 1 1.341 0.03 . 1 . . . . . 43 THR HG2 . 15333 1 395 . 1 1 34 34 THR HG22 H 1 1.341 0.03 . 1 . . . . . 43 THR HG2 . 15333 1 396 . 1 1 34 34 THR HG23 H 1 1.341 0.03 . 1 . . . . . 43 THR HG2 . 15333 1 397 . 1 1 34 34 THR C C 13 177.285 0.3 . 1 . . . . . 43 THR C . 15333 1 398 . 1 1 34 34 THR CA C 13 64.788 0.3 . 1 . . . . . 43 THR CA . 15333 1 399 . 1 1 34 34 THR CB C 13 67.787 0.3 . 1 . . . . . 43 THR CB . 15333 1 400 . 1 1 34 34 THR CG2 C 13 22.787 0.3 . 1 . . . . . 43 THR CG2 . 15333 1 401 . 1 1 34 34 THR N N 15 109.798 0.3 . 1 . . . . . 43 THR N . 15333 1 402 . 1 1 35 35 CYS H H 1 6.825 0.006 . 1 . . . . . 44 CYS H . 15333 1 403 . 1 1 35 35 CYS HA H 1 4.066 0.03 . 1 . . . . . 44 CYS HA . 15333 1 404 . 1 1 35 35 CYS HB2 H 1 3.136 0.03 . 2 . . . . . 44 CYS HB2 . 15333 1 405 . 1 1 35 35 CYS HB3 H 1 2.924 0.03 . 2 . . . . . 44 CYS HB3 . 15333 1 406 . 1 1 35 35 CYS C C 13 176.671 0.3 . 1 . . . . . 44 CYS C . 15333 1 407 . 1 1 35 35 CYS CA C 13 63.100 0.3 . 1 . . . . . 44 CYS CA . 15333 1 408 . 1 1 35 35 CYS CB C 13 28.787 0.001 . 1 . . . . . 44 CYS CB . 15333 1 409 . 1 1 35 35 CYS N N 15 123.057 0.3 . 1 . . . . . 44 CYS N . 15333 1 410 . 1 1 36 36 TYR H H 1 8.484 0.148 . 1 . . . . . 45 TYR H . 15333 1 411 . 1 1 36 36 TYR HA H 1 4.200 0.03 . 1 . . . . . 45 TYR HA . 15333 1 412 . 1 1 36 36 TYR HB2 H 1 3.099 0.03 . 2 . . . . . 45 TYR HB2 . 15333 1 413 . 1 1 36 36 TYR HB3 H 1 2.886 0.001 . 2 . . . . . 45 TYR HB3 . 15333 1 414 . 1 1 36 36 TYR HD1 H 1 6.707 0.001 . 1 . . . . . 45 TYR HD1 . 15333 1 415 . 1 1 36 36 TYR HD2 H 1 6.707 0.001 . 1 . . . . . 45 TYR HD2 . 15333 1 416 . 1 1 36 36 TYR HE1 H 1 6.530 0.069 . 1 . . . . . 45 TYR HE1 . 15333 1 417 . 1 1 36 36 TYR HE2 H 1 6.530 0.069 . 1 . . . . . 45 TYR HE2 . 15333 1 418 . 1 1 36 36 TYR C C 13 176.140 0.3 . 1 . . . . . 45 TYR C . 15333 1 419 . 1 1 36 36 TYR CA C 13 60.101 0.3 . 1 . . . . . 45 TYR CA . 15333 1 420 . 1 1 36 36 TYR CB C 13 37.601 0.3 . 1 . . . . . 45 TYR CB . 15333 1 421 . 1 1 36 36 TYR CD1 C 13 132.466 0.3 . 1 . . . . . 45 TYR CD1 . 15333 1 422 . 1 1 36 36 TYR CE1 C 13 117.953 0.3 . 1 . . . . . 45 TYR CE1 . 15333 1 423 . 1 1 36 36 TYR N N 15 119.972 0.3 . 1 . . . . . 45 TYR N . 15333 1 424 . 1 1 37 37 GLU H H 1 7.925 0.003 . 1 . . . . . 46 GLU H . 15333 1 425 . 1 1 37 37 GLU HA H 1 3.546 0.03 . 1 . . . . . 46 GLU HA . 15333 1 426 . 1 1 37 37 GLU HB2 H 1 2.158 0.03 . 2 . . . . . 46 GLU HB2 . 15333 1 427 . 1 1 37 37 GLU HB3 H 1 1.992 0.001 . 2 . . . . . 46 GLU HB3 . 15333 1 428 . 1 1 37 37 GLU HG2 H 1 2.540 0.001 . 2 . . . . . 46 GLU HG2 . 15333 1 429 . 1 1 37 37 GLU HG3 H 1 2.264 0.001 . 2 . . . . . 46 GLU HG3 . 15333 1 430 . 1 1 37 37 GLU C C 13 179.574 0.3 . 1 . . . . . 46 GLU C . 15333 1 431 . 1 1 37 37 GLU CA C 13 59.351 0.3 . 1 . . . . . 46 GLU CA . 15333 1 432 . 1 1 37 37 GLU CB C 13 28.787 0.001 . 1 . . . . . 46 GLU CB . 15333 1 433 . 1 1 37 37 GLU CG C 13 36.663 0.3 . 1 . . . . . 46 GLU CG . 15333 1 434 . 1 1 37 37 GLU N N 15 117.277 0.3 . 1 . . . . . 46 GLU N . 15333 1 435 . 1 1 38 38 GLU H H 1 7.598 0.026 . 1 . . . . . 47 GLU H . 15333 1 436 . 1 1 38 38 GLU HA H 1 4.041 0.03 . 1 . . . . . 47 GLU HA . 15333 1 437 . 1 1 38 38 GLU HB2 H 1 2.175 0.03 . 2 . . . . . 47 GLU HB2 . 15333 1 438 . 1 1 38 38 GLU HB3 H 1 2.175 0.03 . 2 . . . . . 47 GLU HB3 . 15333 1 439 . 1 1 38 38 GLU HG2 H 1 2.391 0.001 . 2 . . . . . 47 GLU HG2 . 15333 1 440 . 1 1 38 38 GLU HG3 H 1 2.274 0.001 . 2 . . . . . 47 GLU HG3 . 15333 1 441 . 1 1 38 38 GLU C C 13 177.743 0.3 . 1 . . . . . 47 GLU C . 15333 1 442 . 1 1 38 38 GLU CA C 13 58.788 0.3 . 1 . . . . . 47 GLU CA . 15333 1 443 . 1 1 38 38 GLU CB C 13 29.349 0.3 . 1 . . . . . 47 GLU CB . 15333 1 444 . 1 1 38 38 GLU CG C 13 35.913 0.3 . 1 . . . . . 47 GLU CG . 15333 1 445 . 1 1 38 38 GLU N N 15 119.258 0.3 . 1 . . . . . 47 GLU N . 15333 1 446 . 1 1 39 39 MET H H 1 7.918 0.006 . 1 . . . . . 48 MET H . 15333 1 447 . 1 1 39 39 MET HA H 1 3.612 0.03 . 1 . . . . . 48 MET HA . 15333 1 448 . 1 1 39 39 MET HB2 H 1 2.138 0.002 . 2 . . . . . 48 MET HB2 . 15333 1 449 . 1 1 39 39 MET HB3 H 1 1.888 0.03 . 2 . . . . . 48 MET HB3 . 15333 1 450 . 1 1 39 39 MET HG2 H 1 2.245 0.002 . 2 . . . . . 48 MET HG2 . 15333 1 451 . 1 1 39 39 MET HG3 H 1 2.245 0.002 . 2 . . . . . 48 MET HG3 . 15333 1 452 . 1 1 39 39 MET C C 13 178.232 0.3 . 1 . . . . . 48 MET C . 15333 1 453 . 1 1 39 39 MET CA C 13 58.226 0.3 . 1 . . . . . 48 MET CA . 15333 1 454 . 1 1 39 39 MET CB C 13 32.351 0.3 . 1 . . . . . 48 MET CB . 15333 1 455 . 1 1 39 39 MET CG C 13 32.726 0.3 . 1 . . . . . 48 MET CG . 15333 1 456 . 1 1 39 39 MET N N 15 120.952 0.3 . 1 . . . . . 48 MET N . 15333 1 457 . 1 1 40 40 LEU H H 1 8.042 0.001 . 1 . . . . . 49 LEU H . 15333 1 458 . 1 1 40 40 LEU HA H 1 3.867 0.03 . 1 . . . . . 49 LEU HA . 15333 1 459 . 1 1 40 40 LEU HB2 H 1 1.409 0.03 . 2 . . . . . 49 LEU HB2 . 15333 1 460 . 1 1 40 40 LEU HB3 H 1 1.283 0.001 . 2 . . . . . 49 LEU HB3 . 15333 1 461 . 1 1 40 40 LEU HD11 H 1 0.562 0.03 . 2 . . . . . 49 LEU HD1 . 15333 1 462 . 1 1 40 40 LEU HD12 H 1 0.562 0.03 . 2 . . . . . 49 LEU HD1 . 15333 1 463 . 1 1 40 40 LEU HD13 H 1 0.562 0.03 . 2 . . . . . 49 LEU HD1 . 15333 1 464 . 1 1 40 40 LEU HD21 H 1 0.674 0.001 . 2 . . . . . 49 LEU HD2 . 15333 1 465 . 1 1 40 40 LEU HD22 H 1 0.674 0.001 . 2 . . . . . 49 LEU HD2 . 15333 1 466 . 1 1 40 40 LEU HD23 H 1 0.674 0.001 . 2 . . . . . 49 LEU HD2 . 15333 1 467 . 1 1 40 40 LEU HG H 1 1.128 0.001 . 1 . . . . . 49 LEU HG . 15333 1 468 . 1 1 40 40 LEU C C 13 179.543 0.3 . 1 . . . . . 49 LEU C . 15333 1 469 . 1 1 40 40 LEU CA C 13 56.726 0.3 . 1 . . . . . 49 LEU CA . 15333 1 470 . 1 1 40 40 LEU CB C 13 41.913 0.3 . 1 . . . . . 49 LEU CB . 15333 1 471 . 1 1 40 40 LEU CD1 C 13 24.662 0.3 . 1 . . . . . 49 LEU CD1 . 15333 1 472 . 1 1 40 40 LEU CD2 C 13 22.975 0.001 . 1 . . . . . 49 LEU CD2 . 15333 1 473 . 1 1 40 40 LEU CG C 13 25.787 0.3 . 1 . . . . . 49 LEU CG . 15333 1 474 . 1 1 40 40 LEU N N 15 119.191 0.3 . 1 . . . . . 49 LEU N . 15333 1 475 . 1 1 41 41 LYS H H 1 7.604 0.002 . 1 . . . . . 50 LYS H . 15333 1 476 . 1 1 41 41 LYS HA H 1 3.957 0.002 . 1 . . . . . 50 LYS HA . 15333 1 477 . 1 1 41 41 LYS HB2 H 1 1.882 0.03 . 2 . . . . . 50 LYS HB2 . 15333 1 478 . 1 1 41 41 LYS HB3 H 1 1.882 0.03 . 2 . . . . . 50 LYS HB3 . 15333 1 479 . 1 1 41 41 LYS HD2 H 1 1.649 0.001 . 2 . . . . . 50 LYS HD2 . 15333 1 480 . 1 1 41 41 LYS HD3 H 1 1.649 0.001 . 2 . . . . . 50 LYS HD3 . 15333 1 481 . 1 1 41 41 LYS HE2 H 1 2.910 0.001 . 2 . . . . . 50 LYS HE2 . 15333 1 482 . 1 1 41 41 LYS HE3 H 1 2.910 0.001 . 2 . . . . . 50 LYS HE3 . 15333 1 483 . 1 1 41 41 LYS HG2 H 1 1.498 0.03 . 2 . . . . . 50 LYS HG2 . 15333 1 484 . 1 1 41 41 LYS HG3 H 1 1.361 0.001 . 2 . . . . . 50 LYS HG3 . 15333 1 485 . 1 1 41 41 LYS C C 13 178.305 0.3 . 1 . . . . . 50 LYS C . 15333 1 486 . 1 1 41 41 LYS CA C 13 58.788 0.001 . 1 . . . . . 50 LYS CA . 15333 1 487 . 1 1 41 41 LYS CB C 13 32.726 0.3 . 1 . . . . . 50 LYS CB . 15333 1 488 . 1 1 41 41 LYS CD C 13 29.536 0.3 . 1 . . . . . 50 LYS CD . 15333 1 489 . 1 1 41 41 LYS CE C 13 41.913 0.3 . 1 . . . . . 50 LYS CE . 15333 1 490 . 1 1 41 41 LYS CG C 13 24.849 0.3 . 1 . . . . . 50 LYS CG . 15333 1 491 . 1 1 41 41 LYS N N 15 119.815 0.3 . 1 . . . . . 50 LYS N . 15333 1 492 . 1 1 42 42 GLU H H 1 7.972 0.03 . 1 . . . . . 51 GLU H . 15333 1 493 . 1 1 42 42 GLU HA H 1 4.238 0.002 . 1 . . . . . 51 GLU HA . 15333 1 494 . 1 1 42 42 GLU HB2 H 1 2.108 0.03 . 2 . . . . . 51 GLU HB2 . 15333 1 495 . 1 1 42 42 GLU HB3 H 1 1.749 0.03 . 2 . . . . . 51 GLU HB3 . 15333 1 496 . 1 1 42 42 GLU HG2 H 1 2.406 0.03 . 2 . . . . . 51 GLU HG2 . 15333 1 497 . 1 1 42 42 GLU HG3 H 1 2.263 0.002 . 2 . . . . . 51 GLU HG3 . 15333 1 498 . 1 1 42 42 GLU C C 13 177.837 0.3 . 1 . . . . . 51 GLU C . 15333 1 499 . 1 1 42 42 GLU CA C 13 56.913 0.3 . 1 . . . . . 51 GLU CA . 15333 1 500 . 1 1 42 42 GLU CB C 13 30.660 0.001 . 1 . . . . . 51 GLU CB . 15333 1 501 . 1 1 42 42 GLU CG C 13 36.476 0.3 . 1 . . . . . 51 GLU CG . 15333 1 502 . 1 1 42 42 GLU N N 15 116.691 0.3 . 1 . . . . . 51 GLU N . 15333 1 503 . 1 1 43 43 GLY H H 1 8.022 0.03 . 1 . . . . . 52 GLY H . 15333 1 504 . 1 1 43 43 GLY HA2 H 1 4.051 0.03 . 2 . . . . . 52 GLY HA2 . 15333 1 505 . 1 1 43 43 GLY HA3 H 1 3.778 0.001 . 2 . . . . . 52 GLY HA3 . 15333 1 506 . 1 1 43 43 GLY C C 13 174.278 0.3 . 1 . . . . . 52 GLY C . 15333 1 507 . 1 1 43 43 GLY CA C 13 46.037 0.3 . 1 . . . . . 52 GLY CA . 15333 1 508 . 1 1 43 43 GLY N N 15 108.181 0.3 . 1 . . . . . 52 GLY N . 15333 1 509 . 1 1 44 44 TYR H H 1 7.184 0.008 . 1 . . . . . 53 TYR H . 15333 1 510 . 1 1 44 44 TYR HA H 1 4.787 0.002 . 1 . . . . . 53 TYR HA . 15333 1 511 . 1 1 44 44 TYR HB2 H 1 3.166 0.03 . 2 . . . . . 53 TYR HB2 . 15333 1 512 . 1 1 44 44 TYR HB3 H 1 3.028 0.001 . 2 . . . . . 53 TYR HB3 . 15333 1 513 . 1 1 44 44 TYR HD1 H 1 7.091 0.03 . 1 . . . . . 53 TYR HD1 . 15333 1 514 . 1 1 44 44 TYR HD2 H 1 7.091 0.03 . 1 . . . . . 53 TYR HD2 . 15333 1 515 . 1 1 44 44 TYR HE1 H 1 6.734 0.03 . 1 . . . . . 53 TYR HE1 . 15333 1 516 . 1 1 44 44 TYR HE2 H 1 6.734 0.03 . 1 . . . . . 53 TYR HE2 . 15333 1 517 . 1 1 44 44 TYR C C 13 174.725 0.3 . 1 . . . . . 53 TYR C . 15333 1 518 . 1 1 44 44 TYR CA C 13 55.976 0.3 . 1 . . . . . 53 TYR CA . 15333 1 519 . 1 1 44 44 TYR CB C 13 38.913 0.3 . 1 . . . . . 53 TYR CB . 15333 1 520 . 1 1 44 44 TYR CD1 C 13 133.408 0.3 . 1 . . . . . 53 TYR CD1 . 15333 1 521 . 1 1 44 44 TYR CE1 C 13 117.953 0.3 . 1 . . . . . 53 TYR CE1 . 15333 1 522 . 1 1 44 44 TYR N N 15 117.550 0.3 . 1 . . . . . 53 TYR N . 15333 1 523 . 1 1 45 45 ARG H H 1 7.969 0.03 . 1 . . . . . 54 ARG H . 15333 1 524 . 1 1 45 45 ARG HA H 1 4.412 0.002 . 1 . . . . . 54 ARG HA . 15333 1 525 . 1 1 45 45 ARG HB2 H 1 1.822 0.001 . 2 . . . . . 54 ARG HB2 . 15333 1 526 . 1 1 45 45 ARG HB3 H 1 1.627 0.03 . 2 . . . . . 54 ARG HB3 . 15333 1 527 . 1 1 45 45 ARG HD2 H 1 3.130 0.001 . 2 . . . . . 54 ARG HD2 . 15333 1 528 . 1 1 45 45 ARG HD3 H 1 3.130 0.001 . 2 . . . . . 54 ARG HD3 . 15333 1 529 . 1 1 45 45 ARG HG2 H 1 1.633 0.001 . 2 . . . . . 54 ARG HG2 . 15333 1 530 . 1 1 45 45 ARG HG3 H 1 1.633 0.001 . 2 . . . . . 54 ARG HG3 . 15333 1 531 . 1 1 45 45 ARG C C 13 174.902 0.3 . 1 . . . . . 54 ARG C . 15333 1 532 . 1 1 45 45 ARG CA C 13 54.849 0.3 . 1 . . . . . 54 ARG CA . 15333 1 533 . 1 1 45 45 ARG CB C 13 32.164 0.3 . 1 . . . . . 54 ARG CB . 15333 1 534 . 1 1 45 45 ARG CD C 13 43.412 0.3 . 1 . . . . . 54 ARG CD . 15333 1 535 . 1 1 45 45 ARG CG C 13 27.474 0.001 . 1 . . . . . 54 ARG CG . 15333 1 536 . 1 1 45 45 ARG N N 15 120.614 0.3 . 1 . . . . . 54 ARG N . 15333 1 537 . 1 1 46 46 CYS H H 1 8.579 0.001 . 1 . . . . . 55 CYS H . 15333 1 538 . 1 1 46 46 CYS HA H 1 4.236 0.001 . 1 . . . . . 55 CYS HA . 15333 1 539 . 1 1 46 46 CYS HB2 H 1 3.098 0.03 . 2 . . . . . 55 CYS HB2 . 15333 1 540 . 1 1 46 46 CYS HB3 H 1 2.963 0.001 . 2 . . . . . 55 CYS HB3 . 15333 1 541 . 1 1 46 46 CYS CA C 13 57.477 0.001 . 1 . . . . . 55 CYS CA . 15333 1 542 . 1 1 46 46 CYS CB C 13 30.849 0.3 . 1 . . . . . 55 CYS CB . 15333 1 543 . 1 1 46 46 CYS N N 15 123.189 0.3 . 1 . . . . . 55 CYS N . 15333 1 544 . 1 1 47 47 PRO HA H 1 4.459 0.03 . 1 . . . . . 56 PRO HA . 15333 1 545 . 1 1 47 47 PRO HB2 H 1 2.457 0.001 . 2 . . . . . 56 PRO HB2 . 15333 1 546 . 1 1 47 47 PRO HB3 H 1 2.457 0.001 . 2 . . . . . 56 PRO HB3 . 15333 1 547 . 1 1 47 47 PRO HD2 H 1 4.258 0.001 . 2 . . . . . 56 PRO HD2 . 15333 1 548 . 1 1 47 47 PRO HD3 H 1 3.647 0.03 . 2 . . . . . 56 PRO HD3 . 15333 1 549 . 1 1 47 47 PRO HG2 H 1 2.054 0.001 . 2 . . . . . 56 PRO HG2 . 15333 1 550 . 1 1 47 47 PRO HG3 H 1 1.848 0.001 . 2 . . . . . 56 PRO HG3 . 15333 1 551 . 1 1 47 47 PRO C C 13 178.242 0.3 . 1 . . . . . 56 PRO C . 15333 1 552 . 1 1 47 47 PRO CA C 13 64.225 0.3 . 1 . . . . . 56 PRO CA . 15333 1 553 . 1 1 47 47 PRO CB C 13 32.913 0.3 . 1 . . . . . 56 PRO CB . 15333 1 554 . 1 1 47 47 PRO CD C 13 51.474 0.3 . 1 . . . . . 56 PRO CD . 15333 1 555 . 1 1 47 47 PRO CG C 13 27.662 0.3 . 1 . . . . . 56 PRO CG . 15333 1 556 . 1 1 48 48 LEU H H 1 8.285 0.002 . 1 . . . . . 57 LEU H . 15333 1 557 . 1 1 48 48 LEU HA H 1 4.191 0.001 . 1 . . . . . 57 LEU HA . 15333 1 558 . 1 1 48 48 LEU HB2 H 1 0.586 0.001 . 2 . . . . . 57 LEU HB2 . 15333 1 559 . 1 1 48 48 LEU HB3 H 1 0.586 0.001 . 2 . . . . . 57 LEU HB3 . 15333 1 560 . 1 1 48 48 LEU HD11 H 1 0.646 0.03 . 2 . . . . . 57 LEU HD1 . 15333 1 561 . 1 1 48 48 LEU HD12 H 1 0.646 0.03 . 2 . . . . . 57 LEU HD1 . 15333 1 562 . 1 1 48 48 LEU HD13 H 1 0.646 0.03 . 2 . . . . . 57 LEU HD1 . 15333 1 563 . 1 1 48 48 LEU HD21 H 1 0.764 0.03 . 2 . . . . . 57 LEU HD2 . 15333 1 564 . 1 1 48 48 LEU HD22 H 1 0.764 0.03 . 2 . . . . . 57 LEU HD2 . 15333 1 565 . 1 1 48 48 LEU HD23 H 1 0.764 0.03 . 2 . . . . . 57 LEU HD2 . 15333 1 566 . 1 1 48 48 LEU HG H 1 1.219 0.03 . 1 . . . . . 57 LEU HG . 15333 1 567 . 1 1 48 48 LEU C C 13 178.783 0.3 . 1 . . . . . 57 LEU C . 15333 1 568 . 1 1 48 48 LEU CA C 13 55.789 0.3 . 1 . . . . . 57 LEU CA . 15333 1 569 . 1 1 48 48 LEU CB C 13 41.163 0.3 . 1 . . . . . 57 LEU CB . 15333 1 570 . 1 1 48 48 LEU CD1 C 13 25.037 0.001 . 1 . . . . . 57 LEU CD1 . 15333 1 571 . 1 1 48 48 LEU CD2 C 13 22.225 0.3 . 1 . . . . . 57 LEU CD2 . 15333 1 572 . 1 1 48 48 LEU CG C 13 27.287 0.3 . 1 . . . . . 57 LEU CG . 15333 1 573 . 1 1 48 48 LEU N N 15 119.589 0.3 . 1 . . . . . 57 LEU N . 15333 1 574 . 1 1 49 49 CYS H H 1 7.949 0.008 . 1 . . . . . 58 CYS H . 15333 1 575 . 1 1 49 49 CYS HA H 1 4.281 0.03 . 1 . . . . . 58 CYS HA . 15333 1 576 . 1 1 49 49 CYS HB2 H 1 2.947 0.001 . 2 . . . . . 58 CYS HB2 . 15333 1 577 . 1 1 49 49 CYS HB3 H 1 2.825 0.03 . 2 . . . . . 58 CYS HB3 . 15333 1 578 . 1 1 49 49 CYS C C 13 176.088 0.3 . 1 . . . . . 58 CYS C . 15333 1 579 . 1 1 49 49 CYS CA C 13 63.475 0.3 . 1 . . . . . 58 CYS CA . 15333 1 580 . 1 1 49 49 CYS CB C 13 30.099 0.3 . 1 . . . . . 58 CYS CB . 15333 1 581 . 1 1 49 49 CYS N N 15 123.132 0.004 . 1 . . . . . 58 CYS N . 15333 1 582 . 1 1 50 50 MET H H 1 7.717 0.005 . 1 . . . . . 59 MET H . 15333 1 583 . 1 1 50 50 MET HA H 1 4.332 0.001 . 1 . . . . . 59 MET HA . 15333 1 584 . 1 1 50 50 MET HB2 H 1 2.446 0.03 . 2 . . . . . 59 MET HB2 . 15333 1 585 . 1 1 50 50 MET HB3 H 1 1.968 0.001 . 2 . . . . . 59 MET HB3 . 15333 1 586 . 1 1 50 50 MET HG2 H 1 2.530 0.03 . 2 . . . . . 59 MET HG2 . 15333 1 587 . 1 1 50 50 MET HG3 H 1 2.449 0.03 . 2 . . . . . 59 MET HG3 . 15333 1 588 . 1 1 50 50 MET C C 13 175.870 0.3 . 1 . . . . . 59 MET C . 15333 1 589 . 1 1 50 50 MET CA C 13 55.601 0.3 . 1 . . . . . 59 MET CA . 15333 1 590 . 1 1 50 50 MET CB C 13 32.164 0.3 . 1 . . . . . 59 MET CB . 15333 1 591 . 1 1 50 50 MET CG C 13 31.976 0.3 . 1 . . . . . 59 MET CG . 15333 1 592 . 1 1 50 50 MET N N 15 118.057 0.3 . 1 . . . . . 59 MET N . 15333 1 593 . 1 1 51 51 HIS H H 1 7.965 0.003 . 1 . . . . . 60 HIS H . 15333 1 594 . 1 1 51 51 HIS HA H 1 4.709 0.03 . 1 . . . . . 60 HIS HA . 15333 1 595 . 1 1 51 51 HIS HB2 H 1 3.225 0.001 . 2 . . . . . 60 HIS HB2 . 15333 1 596 . 1 1 51 51 HIS HB3 H 1 3.102 0.005 . 2 . . . . . 60 HIS HB3 . 15333 1 597 . 1 1 51 51 HIS HD2 H 1 7.115 0.03 . 1 . . . . . 60 HIS HD2 . 15333 1 598 . 1 1 51 51 HIS C C 13 174.267 0.3 . 1 . . . . . 60 HIS C . 15333 1 599 . 1 1 51 51 HIS CA C 13 55.601 0.3 . 1 . . . . . 60 HIS CA . 15333 1 600 . 1 1 51 51 HIS CB C 13 30.661 0.3 . 1 . . . . . 60 HIS CB . 15333 1 601 . 1 1 51 51 HIS CD2 C 13 120.654 0.3 . 1 . . . . . 60 HIS CD2 . 15333 1 602 . 1 1 51 51 HIS N N 15 119.437 0.049 . 1 . . . . . 60 HIS N . 15333 1 603 . 1 1 52 52 SER H H 1 7.967 0.010 . 1 . . . . . 61 SER H . 15333 1 604 . 1 1 52 52 SER HA H 1 4.280 0.001 . 1 . . . . . 61 SER HA . 15333 1 605 . 1 1 52 52 SER HB2 H 1 3.888 0.03 . 2 . . . . . 61 SER HB2 . 15333 1 606 . 1 1 52 52 SER HB3 H 1 3.888 0.03 . 2 . . . . . 61 SER HB3 . 15333 1 607 . 1 1 52 52 SER CA C 13 59.913 0.3 . 1 . . . . . 61 SER CA . 15333 1 608 . 1 1 52 52 SER CB C 13 64.788 0.3 . 1 . . . . . 61 SER CB . 15333 1 609 . 1 1 52 52 SER N N 15 122.666 0.009 . 1 . . . . . 61 SER N . 15333 1 stop_ save_