################################### # 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 18669 _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 '2D 1H-15N HSQC' . . . 18669 1 2 '3D CBCA(CO)NH' . . . 18669 1 3 '3D HNCACB' . . . 18669 1 4 '3D (H)CCH-TOCSY' . . . 18669 1 5 '3D 1H-15N TOCSY' . . . 18669 1 6 '2D 1H-13C HSQC aliphatic' . . . 18669 1 7 '3D 1H-15N NOESY' . . . 18669 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 2 2 VAL HA H 1 3.582 0.002 . 1 . . . A 74 VAL HA . 18669 1 2 . 1 1 2 2 VAL HB H 1 2.088 0.001 . 1 . . . A 74 VAL HB . 18669 1 3 . 1 1 2 2 VAL HG11 H 1 0.843 0.023 . 2 . . . A 74 VAL HG11 . 18669 1 4 . 1 1 2 2 VAL HG12 H 1 0.843 0.023 . 2 . . . A 74 VAL HG12 . 18669 1 5 . 1 1 2 2 VAL HG13 H 1 0.843 0.023 . 2 . . . A 74 VAL HG13 . 18669 1 6 . 1 1 2 2 VAL HG21 H 1 0.972 0 . 2 . . . A 74 VAL HG21 . 18669 1 7 . 1 1 2 2 VAL HG22 H 1 0.972 0 . 2 . . . A 74 VAL HG22 . 18669 1 8 . 1 1 2 2 VAL HG23 H 1 0.972 0 . 2 . . . A 74 VAL HG23 . 18669 1 9 . 1 1 2 2 VAL CA C 13 61.367 0.086 . 1 . . . A 74 VAL CA . 18669 1 10 . 1 1 2 2 VAL CB C 13 32.671 0.055 . 1 . . . A 74 VAL CB . 18669 1 11 . 1 1 2 2 VAL CG1 C 13 20.34 0.129 . 2 . . . A 74 VAL CG1 . 18669 1 12 . 1 1 2 2 VAL CG2 C 13 20.336 0.002 . 2 . . . A 74 VAL CG2 . 18669 1 13 . 1 1 3 3 HIS H H 1 8.86 0.004 . 1 . . . A 75 HIS H . 18669 1 14 . 1 1 3 3 HIS HB2 H 1 3.312 0.001 . 2 . . . A 75 HIS HB2 . 18669 1 15 . 1 1 3 3 HIS HB3 H 1 3.036 0.003 . 2 . . . A 75 HIS HB3 . 18669 1 16 . 1 1 3 3 HIS CA C 13 56.955 0.069 . 1 . . . A 75 HIS CA . 18669 1 17 . 1 1 3 3 HIS CB C 13 29.261 0.176 . 1 . . . A 75 HIS CB . 18669 1 18 . 1 1 3 3 HIS N N 15 128.074 0.066 . 1 . . . A 75 HIS N . 18669 1 19 . 1 1 4 4 LEU H H 1 8.365 0.006 . 1 . . . A 76 LEU H . 18669 1 20 . 1 1 4 4 LEU HA H 1 5.185 0.002 . 1 . . . A 76 LEU HA . 18669 1 21 . 1 1 4 4 LEU HB2 H 1 1.381 0.001 . 2 . . . A 76 LEU HB2 . 18669 1 22 . 1 1 4 4 LEU HB3 H 1 1.737 0.007 . 2 . . . A 76 LEU HB3 . 18669 1 23 . 1 1 4 4 LEU HD11 H 1 1.746 0.003 . 2 . . . A 76 LEU HD11 . 18669 1 24 . 1 1 4 4 LEU HD12 H 1 1.746 0.003 . 2 . . . A 76 LEU HD12 . 18669 1 25 . 1 1 4 4 LEU HD13 H 1 1.746 0.003 . 2 . . . A 76 LEU HD13 . 18669 1 26 . 1 1 4 4 LEU HD21 H 1 0.874 0.002 . 2 . . . A 76 LEU HD21 . 18669 1 27 . 1 1 4 4 LEU HD22 H 1 0.874 0.002 . 2 . . . A 76 LEU HD22 . 18669 1 28 . 1 1 4 4 LEU HD23 H 1 0.874 0.002 . 2 . . . A 76 LEU HD23 . 18669 1 29 . 1 1 4 4 LEU CA C 13 53.439 0.064 . 1 . . . A 76 LEU CA . 18669 1 30 . 1 1 4 4 LEU CB C 13 46.817 0.082 . 1 . . . A 76 LEU CB . 18669 1 31 . 1 1 4 4 LEU CD1 C 13 26.825 0.001 . 2 . . . A 76 LEU CD1 . 18669 1 32 . 1 1 4 4 LEU CD2 C 13 24.148 0.03 . 2 . . . A 76 LEU CD2 . 18669 1 33 . 1 1 4 4 LEU N N 15 125.767 0.054 . 1 . . . A 76 LEU N . 18669 1 34 . 1 1 5 5 THR H H 1 8.482 0.005 . 1 . . . A 77 THR H . 18669 1 35 . 1 1 5 5 THR HA H 1 4.908 0 . 1 . . . A 77 THR HA . 18669 1 36 . 1 1 5 5 THR HB H 1 4.121 0.008 . 1 . . . A 77 THR HB . 18669 1 37 . 1 1 5 5 THR HG21 H 1 1.151 0.001 . 1 . . . A 77 THR HG21 . 18669 1 38 . 1 1 5 5 THR HG22 H 1 1.151 0.001 . 1 . . . A 77 THR HG22 . 18669 1 39 . 1 1 5 5 THR HG23 H 1 1.151 0.001 . 1 . . . A 77 THR HG23 . 18669 1 40 . 1 1 5 5 THR CA C 13 62.154 0.065 . 1 . . . A 77 THR CA . 18669 1 41 . 1 1 5 5 THR CB C 13 69.501 0.09 . 1 . . . A 77 THR CB . 18669 1 42 . 1 1 5 5 THR CG2 C 13 21.779 0.052 . 1 . . . A 77 THR CG2 . 18669 1 43 . 1 1 5 5 THR N N 15 116.727 0.089 . 1 . . . A 77 THR N . 18669 1 44 . 1 1 6 6 LEU H H 1 9.852 0.004 . 1 . . . A 78 LEU H . 18669 1 45 . 1 1 6 6 LEU HA H 1 5.1 0.001 . 1 . . . A 78 LEU HA . 18669 1 46 . 1 1 6 6 LEU HB2 H 1 2.289 0.002 . 2 . . . A 78 LEU HB2 . 18669 1 47 . 1 1 6 6 LEU HB3 H 1 1.229 0.002 . 2 . . . A 78 LEU HB3 . 18669 1 48 . 1 1 6 6 LEU HG H 1 1.808 0 . 1 . . . A 78 LEU HG . 18669 1 49 . 1 1 6 6 LEU HD11 H 1 0.998 0 . 2 . . . A 78 LEU HD11 . 18669 1 50 . 1 1 6 6 LEU HD12 H 1 0.998 0 . 2 . . . A 78 LEU HD12 . 18669 1 51 . 1 1 6 6 LEU HD13 H 1 0.998 0 . 2 . . . A 78 LEU HD13 . 18669 1 52 . 1 1 6 6 LEU HD21 H 1 0.805 0 . 2 . . . A 78 LEU HD21 . 18669 1 53 . 1 1 6 6 LEU HD22 H 1 0.805 0 . 2 . . . A 78 LEU HD22 . 18669 1 54 . 1 1 6 6 LEU HD23 H 1 0.805 0 . 2 . . . A 78 LEU HD23 . 18669 1 55 . 1 1 6 6 LEU CA C 13 53.039 0.062 . 1 . . . A 78 LEU CA . 18669 1 56 . 1 1 6 6 LEU CB C 13 41.625 0.051 . 1 . . . A 78 LEU CB . 18669 1 57 . 1 1 6 6 LEU CG C 13 27.086 0 . 1 . . . A 78 LEU CG . 18669 1 58 . 1 1 6 6 LEU CD1 C 13 26.014 0.031 . 2 . . . A 78 LEU CD1 . 18669 1 59 . 1 1 6 6 LEU CD2 C 13 24.545 0.079 . 2 . . . A 78 LEU CD2 . 18669 1 60 . 1 1 6 6 LEU N N 15 128.263 0.024 . 1 . . . A 78 LEU N . 18669 1 61 . 1 1 7 7 LYS H H 1 8.85 0.001 . 1 . . . A 79 LYS H . 18669 1 62 . 1 1 7 7 LYS HA H 1 5.123 0.001 . 1 . . . A 79 LYS HA . 18669 1 63 . 1 1 7 7 LYS HB2 H 1 1.736 0.001 . 2 . . . A 79 LYS HB2 . 18669 1 64 . 1 1 7 7 LYS HB3 H 1 1.486 0.001 . 2 . . . A 79 LYS HB3 . 18669 1 65 . 1 1 7 7 LYS HG2 H 1 1.408 0 . 2 . . . A 79 LYS HG2 . 18669 1 66 . 1 1 7 7 LYS HG3 H 1 1.217 0.005 . 2 . . . A 79 LYS HG3 . 18669 1 67 . 1 1 7 7 LYS HD3 H 1 1.639 0.003 . 1 . . . A 79 LYS HD3 . 18669 1 68 . 1 1 7 7 LYS HE3 H 1 2.911 0 . 1 . . . A 79 LYS HE3 . 18669 1 69 . 1 1 7 7 LYS CA C 13 55.268 0.085 . 1 . . . A 79 LYS CA . 18669 1 70 . 1 1 7 7 LYS CB C 13 36.677 0.04 . 1 . . . A 79 LYS CB . 18669 1 71 . 1 1 7 7 LYS CG C 13 25.437 0.027 . 1 . . . A 79 LYS CG . 18669 1 72 . 1 1 7 7 LYS CD C 13 29.711 0.057 . 1 . . . A 79 LYS CD . 18669 1 73 . 1 1 7 7 LYS CE C 13 42.07 0.034 . 1 . . . A 79 LYS CE . 18669 1 74 . 1 1 7 7 LYS N N 15 124.708 0.03 . 1 . . . A 79 LYS N . 18669 1 75 . 1 1 8 8 LYS H H 1 8.357 0.002 . 1 . . . A 80 LYS H . 18669 1 76 . 1 1 8 8 LYS HA H 1 4.826 0 . 1 . . . A 80 LYS HA . 18669 1 77 . 1 1 8 8 LYS HB2 H 1 0.699 0.004 . 2 . . . A 80 LYS HB2 . 18669 1 78 . 1 1 8 8 LYS HB3 H 1 0.423 0.006 . 2 . . . A 80 LYS HB3 . 18669 1 79 . 1 1 8 8 LYS HG2 H 1 1.388 0 . 2 . . . A 80 LYS HG2 . 18669 1 80 . 1 1 8 8 LYS HG3 H 1 1.57 0 . 2 . . . A 80 LYS HG3 . 18669 1 81 . 1 1 8 8 LYS HD2 H 1 1.778 0 . 2 . . . A 80 LYS HD2 . 18669 1 82 . 1 1 8 8 LYS HD3 H 1 1.553 0.002 . 2 . . . A 80 LYS HD3 . 18669 1 83 . 1 1 8 8 LYS HE3 H 1 3.139 0 . 1 . . . A 80 LYS HE3 . 18669 1 84 . 1 1 8 8 LYS CA C 13 55.027 0.066 . 1 . . . A 80 LYS CA . 18669 1 85 . 1 1 8 8 LYS CB C 13 34.58 0.063 . 1 . . . A 80 LYS CB . 18669 1 86 . 1 1 8 8 LYS CG C 13 24.993 0.028 . 1 . . . A 80 LYS CG . 18669 1 87 . 1 1 8 8 LYS CD C 13 31.008 0.039 . 1 . . . A 80 LYS CD . 18669 1 88 . 1 1 8 8 LYS CE C 13 43.024 0.019 . 1 . . . A 80 LYS CE . 18669 1 89 . 1 1 8 8 LYS N N 15 129.451 0.029 . 1 . . . A 80 LYS N . 18669 1 90 . 1 1 9 9 ILE H H 1 8.371 0.003 . 1 . . . A 81 ILE H . 18669 1 91 . 1 1 9 9 ILE HA H 1 4.136 0.001 . 1 . . . A 81 ILE HA . 18669 1 92 . 1 1 9 9 ILE HB H 1 2.006 0.001 . 1 . . . A 81 ILE HB . 18669 1 93 . 1 1 9 9 ILE HG12 H 1 1.399 0 . 2 . . . A 81 ILE HG12 . 18669 1 94 . 1 1 9 9 ILE HG13 H 1 1.169 0.001 . 2 . . . A 81 ILE HG13 . 18669 1 95 . 1 1 9 9 ILE HG21 H 1 0.912 0 . 1 . . . A 81 ILE HG21 . 18669 1 96 . 1 1 9 9 ILE HG22 H 1 0.912 0 . 1 . . . A 81 ILE HG22 . 18669 1 97 . 1 1 9 9 ILE HG23 H 1 0.912 0 . 1 . . . A 81 ILE HG23 . 18669 1 98 . 1 1 9 9 ILE HD11 H 1 0.877 0 . 1 . . . A 81 ILE HD11 . 18669 1 99 . 1 1 9 9 ILE HD12 H 1 0.877 0 . 1 . . . A 81 ILE HD12 . 18669 1 100 . 1 1 9 9 ILE HD13 H 1 0.877 0 . 1 . . . A 81 ILE HD13 . 18669 1 101 . 1 1 9 9 ILE CA C 13 62.352 0.104 . 1 . . . A 81 ILE CA . 18669 1 102 . 1 1 9 9 ILE CB C 13 38.632 0.037 . 1 . . . A 81 ILE CB . 18669 1 103 . 1 1 9 9 ILE CG1 C 13 27.223 0.034 . 1 . . . A 81 ILE CG1 . 18669 1 104 . 1 1 9 9 ILE CG2 C 13 18.17 0.034 . 1 . . . A 81 ILE CG2 . 18669 1 105 . 1 1 9 9 ILE CD1 C 13 13.488 0.055 . 1 . . . A 81 ILE CD1 . 18669 1 106 . 1 1 9 9 ILE N N 15 123.406 0.02 . 1 . . . A 81 ILE N . 18669 1 107 . 1 1 10 10 GLN H H 1 7.317 0.003 . 1 . . . A 82 GLN H . 18669 1 108 . 1 1 10 10 GLN HA H 1 4.345 0.001 . 1 . . . A 82 GLN HA . 18669 1 109 . 1 1 10 10 GLN HB3 H 1 2.008 0 . 1 . . . A 82 GLN HB3 . 18669 1 110 . 1 1 10 10 GLN HG2 H 1 2.44 0.002 . 2 . . . A 82 GLN HG2 . 18669 1 111 . 1 1 10 10 GLN HG3 H 1 2.505 0.001 . 2 . . . A 82 GLN HG3 . 18669 1 112 . 1 1 10 10 GLN HE21 H 1 7.712 0 . 1 . . . A 82 GLN HE21 . 18669 1 113 . 1 1 10 10 GLN HE22 H 1 6.974 0 . 1 . . . A 82 GLN HE22 . 18669 1 114 . 1 1 10 10 GLN CA C 13 55.496 0.11 . 1 . . . A 82 GLN CA . 18669 1 115 . 1 1 10 10 GLN CB C 13 29.765 0.053 . 1 . . . A 82 GLN CB . 18669 1 116 . 1 1 10 10 GLN CG C 13 34.007 0.026 . 1 . . . A 82 GLN CG . 18669 1 117 . 1 1 10 10 GLN N N 15 120.941 0.014 . 1 . . . A 82 GLN N . 18669 1 118 . 1 1 10 10 GLN NE2 N 15 112.95 0.002 . 1 . . . A 82 GLN NE2 . 18669 1 119 . 1 1 11 11 ALA HA H 1 4.374 0 . 1 . . . A 83 ALA HA . 18669 1 120 . 1 1 11 11 ALA HB1 H 1 1.41 0 . 1 . . . A 83 ALA HB1 . 18669 1 121 . 1 1 11 11 ALA HB2 H 1 1.41 0 . 1 . . . A 83 ALA HB2 . 18669 1 122 . 1 1 11 11 ALA HB3 H 1 1.41 0 . 1 . . . A 83 ALA HB3 . 18669 1 123 . 1 1 11 11 ALA CA C 13 51.171 0.044 . 1 . . . A 83 ALA CA . 18669 1 124 . 1 1 11 11 ALA CB C 13 17.677 0.037 . 1 . . . A 83 ALA CB . 18669 1 125 . 1 1 12 12 PRO HA H 1 4.651 0 . 1 . . . A 84 PRO HA . 18669 1 126 . 1 1 12 12 PRO HB2 H 1 2.271 0.001 . 2 . . . A 84 PRO HB2 . 18669 1 127 . 1 1 12 12 PRO HB3 H 1 2.447 0 . 2 . . . A 84 PRO HB3 . 18669 1 128 . 1 1 12 12 PRO HG2 H 1 1.995 0.002 . 2 . . . A 84 PRO HG2 . 18669 1 129 . 1 1 12 12 PRO HG3 H 1 2.222 0.001 . 2 . . . A 84 PRO HG3 . 18669 1 130 . 1 1 12 12 PRO HD2 H 1 3.564 0 . 2 . . . A 84 PRO HD2 . 18669 1 131 . 1 1 12 12 PRO HD3 H 1 3.645 0.001 . 2 . . . A 84 PRO HD3 . 18669 1 132 . 1 1 12 12 PRO CA C 13 62.279 0.09 . 1 . . . A 84 PRO CA . 18669 1 133 . 1 1 12 12 PRO CB C 13 33.419 0.052 . 1 . . . A 84 PRO CB . 18669 1 134 . 1 1 12 12 PRO CG C 13 25.556 0.015 . 1 . . . A 84 PRO CG . 18669 1 135 . 1 1 12 12 PRO CD C 13 50.916 0.04 . 1 . . . A 84 PRO CD . 18669 1 136 . 1 1 13 13 LYS H H 1 8.638 0.002 . 1 . . . A 85 LYS H . 18669 1 137 . 1 1 13 13 LYS HA H 1 4.027 0.001 . 1 . . . A 85 LYS HA . 18669 1 138 . 1 1 13 13 LYS HB3 H 1 1.825 0 . 1 . . . A 85 LYS HB3 . 18669 1 139 . 1 1 13 13 LYS HG2 H 1 1.256 0 . 2 . . . A 85 LYS HG2 . 18669 1 140 . 1 1 13 13 LYS HG3 H 1 1.213 0 . 2 . . . A 85 LYS HG3 . 18669 1 141 . 1 1 13 13 LYS CA C 13 56.847 0.039 . 1 . . . A 85 LYS CA . 18669 1 142 . 1 1 13 13 LYS CB C 13 34.589 0.006 . 1 . . . A 85 LYS CB . 18669 1 143 . 1 1 13 13 LYS CG C 13 25.508 0.009 . 1 . . . A 85 LYS CG . 18669 1 144 . 1 1 13 13 LYS CD C 13 29.787 0 . 1 . . . A 85 LYS CD . 18669 1 145 . 1 1 13 13 LYS CE C 13 42.262 0 . 1 . . . A 85 LYS CE . 18669 1 146 . 1 1 13 13 LYS N N 15 126.487 0.031 . 1 . . . A 85 LYS N . 18669 1 147 . 1 1 14 14 PHE H H 1 7.735 0.002 . 1 . . . A 86 PHE H . 18669 1 148 . 1 1 14 14 PHE HA H 1 4.945 0 . 1 . . . A 86 PHE HA . 18669 1 149 . 1 1 14 14 PHE HB2 H 1 3.251 0 . 2 . . . A 86 PHE HB2 . 18669 1 150 . 1 1 14 14 PHE HB3 H 1 3.401 0 . 2 . . . A 86 PHE HB3 . 18669 1 151 . 1 1 14 14 PHE HD1 H 1 7.306 0 . 3 . . . A 86 PHE HD1 . 18669 1 152 . 1 1 14 14 PHE HD2 H 1 7.306 0 . 3 . . . A 86 PHE HD2 . 18669 1 153 . 1 1 14 14 PHE HE1 H 1 7.149 0.003 . 3 . . . A 86 PHE HE1 . 18669 1 154 . 1 1 14 14 PHE HE2 H 1 7.149 0.003 . 3 . . . A 86 PHE HE2 . 18669 1 155 . 1 1 14 14 PHE HZ H 1 6.95 0 . 1 . . . A 86 PHE HZ . 18669 1 156 . 1 1 14 14 PHE CA C 13 57.819 0.042 . 1 . . . A 86 PHE CA . 18669 1 157 . 1 1 14 14 PHE CB C 13 41.156 0.058 . 1 . . . A 86 PHE CB . 18669 1 158 . 1 1 14 14 PHE N N 15 112.04 0.02 . 1 . . . A 86 PHE N . 18669 1 159 . 1 1 15 15 SER H H 1 8.806 0 . 1 . . . A 87 SER H . 18669 1 160 . 1 1 15 15 SER HA H 1 5.394 0.003 . 1 . . . A 87 SER HA . 18669 1 161 . 1 1 15 15 SER HB2 H 1 3.867 0 . 2 . . . A 87 SER HB2 . 18669 1 162 . 1 1 15 15 SER HB3 H 1 3.669 0 . 2 . . . A 87 SER HB3 . 18669 1 163 . 1 1 15 15 SER CA C 13 58.089 0.043 . 1 . . . A 87 SER CA . 18669 1 164 . 1 1 15 15 SER CB C 13 64.049 0.078 . 1 . . . A 87 SER CB . 18669 1 165 . 1 1 15 15 SER N N 15 115.865 0 . 1 . . . A 87 SER N . 18669 1 166 . 1 1 16 16 ILE H H 1 9.178 0.003 . 1 . . . A 88 ILE H . 18669 1 167 . 1 1 16 16 ILE HA H 1 4.854 0 . 1 . . . A 88 ILE HA . 18669 1 168 . 1 1 16 16 ILE HB H 1 2.042 0.004 . 1 . . . A 88 ILE HB . 18669 1 169 . 1 1 16 16 ILE HG12 H 1 1.311 0 . 2 . . . A 88 ILE HG12 . 18669 1 170 . 1 1 16 16 ILE HG13 H 1 1.584 0 . 2 . . . A 88 ILE HG13 . 18669 1 171 . 1 1 16 16 ILE HG21 H 1 0.995 0 . 1 . . . A 88 ILE HG21 . 18669 1 172 . 1 1 16 16 ILE HG22 H 1 0.995 0 . 1 . . . A 88 ILE HG22 . 18669 1 173 . 1 1 16 16 ILE HG23 H 1 0.995 0 . 1 . . . A 88 ILE HG23 . 18669 1 174 . 1 1 16 16 ILE HD11 H 1 0.626 0 . 1 . . . A 88 ILE HD11 . 18669 1 175 . 1 1 16 16 ILE HD12 H 1 0.626 0 . 1 . . . A 88 ILE HD12 . 18669 1 176 . 1 1 16 16 ILE HD13 H 1 0.626 0 . 1 . . . A 88 ILE HD13 . 18669 1 177 . 1 1 16 16 ILE CA C 13 59.948 0.052 . 1 . . . A 88 ILE CA . 18669 1 178 . 1 1 16 16 ILE CB C 13 42.115 0.048 . 1 . . . A 88 ILE CB . 18669 1 179 . 1 1 16 16 ILE CG1 C 13 26.846 0.057 . 1 . . . A 88 ILE CG1 . 18669 1 180 . 1 1 16 16 ILE CG2 C 13 17.585 0.021 . 1 . . . A 88 ILE CG2 . 18669 1 181 . 1 1 16 16 ILE CD1 C 13 13.574 0.063 . 1 . . . A 88 ILE CD1 . 18669 1 182 . 1 1 16 16 ILE N N 15 124.408 0.056 . 1 . . . A 88 ILE N . 18669 1 183 . 1 1 17 17 GLU H H 1 8.832 0.003 . 1 . . . A 89 GLU H . 18669 1 184 . 1 1 17 17 GLU HA H 1 5.533 0.001 . 1 . . . A 89 GLU HA . 18669 1 185 . 1 1 17 17 GLU HB3 H 1 1.941 0 . 1 . . . A 89 GLU HB3 . 18669 1 186 . 1 1 17 17 GLU HG2 H 1 2.294 0 . 2 . . . A 89 GLU HG2 . 18669 1 187 . 1 1 17 17 GLU HG3 H 1 2.501 0 . 2 . . . A 89 GLU HG3 . 18669 1 188 . 1 1 17 17 GLU CA C 13 54.268 0.05 . 1 . . . A 89 GLU CA . 18669 1 189 . 1 1 17 17 GLU CB C 13 33.026 0.041 . 1 . . . A 89 GLU CB . 18669 1 190 . 1 1 17 17 GLU CG C 13 36.516 0.025 . 1 . . . A 89 GLU CG . 18669 1 191 . 1 1 17 17 GLU N N 15 123.105 0.102 . 1 . . . A 89 GLU N . 18669 1 192 . 1 1 18 18 HIS H H 1 8.595 0.001 . 1 . . . A 90 HIS H . 18669 1 193 . 1 1 18 18 HIS HA H 1 4.459 0.002 . 1 . . . A 90 HIS HA . 18669 1 194 . 1 1 18 18 HIS HB2 H 1 2.196 0.004 . 2 . . . A 90 HIS HB2 . 18669 1 195 . 1 1 18 18 HIS HB3 H 1 2.61 0.009 . 2 . . . A 90 HIS HB3 . 18669 1 196 . 1 1 18 18 HIS CA C 13 55.77 0.045 . 1 . . . A 90 HIS CA . 18669 1 197 . 1 1 18 18 HIS CB C 13 33.079 0.014 . 1 . . . A 90 HIS CB . 18669 1 198 . 1 1 18 18 HIS N N 15 120.381 0.066 . 1 . . . A 90 HIS N . 18669 1 199 . 1 1 19 19 ASP H H 1 6.795 0.006 . 1 . . . A 91 ASP H . 18669 1 200 . 1 1 19 19 ASP HA H 1 5.149 0.004 . 1 . . . A 91 ASP HA . 18669 1 201 . 1 1 19 19 ASP HB3 H 1 2.13 0 . 1 . . . A 91 ASP HB3 . 18669 1 202 . 1 1 19 19 ASP CA C 13 53.297 0.071 . 1 . . . A 91 ASP CA . 18669 1 203 . 1 1 19 19 ASP CB C 13 42.284 0.048 . 1 . . . A 91 ASP CB . 18669 1 204 . 1 1 19 19 ASP N N 15 123.224 0.048 . 1 . . . A 91 ASP N . 18669 1 205 . 1 1 20 20 PHE H H 1 8.875 0.003 . 1 . . . A 92 PHE H . 18669 1 206 . 1 1 20 20 PHE HA H 1 4.589 0 . 1 . . . A 92 PHE HA . 18669 1 207 . 1 1 20 20 PHE HB2 H 1 3.55 0 . 2 . . . A 92 PHE HB2 . 18669 1 208 . 1 1 20 20 PHE HB3 H 1 2.403 0 . 2 . . . A 92 PHE HB3 . 18669 1 209 . 1 1 20 20 PHE HD1 H 1 7.382 0 . 3 . . . A 92 PHE HD1 . 18669 1 210 . 1 1 20 20 PHE HD2 H 1 7.382 0 . 3 . . . A 92 PHE HD2 . 18669 1 211 . 1 1 20 20 PHE HE1 H 1 7.01 0 . 3 . . . A 92 PHE HE1 . 18669 1 212 . 1 1 20 20 PHE HE2 H 1 7.01 0 . 3 . . . A 92 PHE HE2 . 18669 1 213 . 1 1 20 20 PHE HZ H 1 6.816 0 . 1 . . . A 92 PHE HZ . 18669 1 214 . 1 1 20 20 PHE CA C 13 57.011 0.132 . 1 . . . A 92 PHE CA . 18669 1 215 . 1 1 20 20 PHE CB C 13 43.085 0.081 . 1 . . . A 92 PHE CB . 18669 1 216 . 1 1 20 20 PHE N N 15 120.234 0.078 . 1 . . . A 92 PHE N . 18669 1 217 . 1 1 21 21 SER H H 1 9.174 0.003 . 1 . . . A 93 SER H . 18669 1 218 . 1 1 21 21 SER HA H 1 4.952 0.005 . 1 . . . A 93 SER HA . 18669 1 219 . 1 1 21 21 SER HB2 H 1 3.884 0 . 2 . . . A 93 SER HB2 . 18669 1 220 . 1 1 21 21 SER HB3 H 1 4.007 0 . 2 . . . A 93 SER HB3 . 18669 1 221 . 1 1 21 21 SER CA C 13 56.016 0.044 . 1 . . . A 93 SER CA . 18669 1 222 . 1 1 21 21 SER CB C 13 63.765 0.063 . 1 . . . A 93 SER CB . 18669 1 223 . 1 1 21 21 SER N N 15 119.232 0.031 . 1 . . . A 93 SER N . 18669 1 224 . 1 1 22 22 PRO HA H 1 4.254 0.001 . 1 . . . A 94 PRO HA . 18669 1 225 . 1 1 22 22 PRO HB2 H 1 2.058 0.002 . 2 . . . A 94 PRO HB2 . 18669 1 226 . 1 1 22 22 PRO HB3 H 1 2.353 0 . 2 . . . A 94 PRO HB3 . 18669 1 227 . 1 1 22 22 PRO HG2 H 1 1.972 0 . 2 . . . A 94 PRO HG2 . 18669 1 228 . 1 1 22 22 PRO HG3 H 1 2.171 0 . 2 . . . A 94 PRO HG3 . 18669 1 229 . 1 1 22 22 PRO HD2 H 1 3.945 0 . 2 . . . A 94 PRO HD2 . 18669 1 230 . 1 1 22 22 PRO HD3 H 1 4.027 0 . 2 . . . A 94 PRO HD3 . 18669 1 231 . 1 1 22 22 PRO CA C 13 65.129 0.113 . 1 . . . A 94 PRO CA . 18669 1 232 . 1 1 22 22 PRO CB C 13 31.943 0.061 . 1 . . . A 94 PRO CB . 18669 1 233 . 1 1 22 22 PRO CG C 13 27.73 0.1 . 1 . . . A 94 PRO CG . 18669 1 234 . 1 1 22 22 PRO CD C 13 50.955 0.083 . 1 . . . A 94 PRO CD . 18669 1 235 . 1 1 23 23 SER H H 1 7.62 0.003 . 1 . . . A 95 SER H . 18669 1 236 . 1 1 23 23 SER HA H 1 4.605 0.003 . 1 . . . A 95 SER HA . 18669 1 237 . 1 1 23 23 SER HB2 H 1 4.089 0.003 . 2 . . . A 95 SER HB2 . 18669 1 238 . 1 1 23 23 SER HB3 H 1 3.811 0 . 2 . . . A 95 SER HB3 . 18669 1 239 . 1 1 23 23 SER CA C 13 57.894 0.078 . 1 . . . A 95 SER CA . 18669 1 240 . 1 1 23 23 SER CB C 13 63.618 0.097 . 1 . . . A 95 SER CB . 18669 1 241 . 1 1 23 23 SER N N 15 106.929 0.089 . 1 . . . A 95 SER N . 18669 1 242 . 1 1 24 24 ASP H H 1 7.793 0.003 . 1 . . . A 96 ASP H . 18669 1 243 . 1 1 24 24 ASP HA H 1 4.983 0.002 . 1 . . . A 96 ASP HA . 18669 1 244 . 1 1 24 24 ASP HB2 H 1 3.22 0.006 . 2 . . . A 96 ASP HB2 . 18669 1 245 . 1 1 24 24 ASP HB3 H 1 2.716 0 . 2 . . . A 96 ASP HB3 . 18669 1 246 . 1 1 24 24 ASP CA C 13 55.464 0.048 . 1 . . . A 96 ASP CA . 18669 1 247 . 1 1 24 24 ASP CB C 13 41.905 0.068 . 1 . . . A 96 ASP CB . 18669 1 248 . 1 1 24 24 ASP N N 15 122.616 0.038 . 1 . . . A 96 ASP N . 18669 1 249 . 1 1 25 25 THR H H 1 8.59 0.002 . 1 . . . A 97 THR H . 18669 1 250 . 1 1 25 25 THR HA H 1 5.429 0.002 . 1 . . . A 97 THR HA . 18669 1 251 . 1 1 25 25 THR HB H 1 4.407 0 . 1 . . . A 97 THR HB . 18669 1 252 . 1 1 25 25 THR HG21 H 1 0.789 0 . 1 . . . A 97 THR HG21 . 18669 1 253 . 1 1 25 25 THR HG22 H 1 0.789 0 . 1 . . . A 97 THR HG22 . 18669 1 254 . 1 1 25 25 THR HG23 H 1 0.789 0 . 1 . . . A 97 THR HG23 . 18669 1 255 . 1 1 25 25 THR CA C 13 59.46 0.05 . 1 . . . A 97 THR CA . 18669 1 256 . 1 1 25 25 THR CB C 13 73.236 0.113 . 1 . . . A 97 THR CB . 18669 1 257 . 1 1 25 25 THR CG2 C 13 21.842 0 . 1 . . . A 97 THR CG2 . 18669 1 258 . 1 1 25 25 THR N N 15 108.499 0.031 . 1 . . . A 97 THR N . 18669 1 259 . 1 1 26 26 ILE H H 1 7.983 0.003 . 1 . . . A 98 ILE H . 18669 1 260 . 1 1 26 26 ILE HA H 1 3.52 0.003 . 1 . . . A 98 ILE HA . 18669 1 261 . 1 1 26 26 ILE HB H 1 2.47 0.004 . 1 . . . A 98 ILE HB . 18669 1 262 . 1 1 26 26 ILE HG12 H 1 1.387 0 . 2 . . . A 98 ILE HG12 . 18669 1 263 . 1 1 26 26 ILE HG13 H 1 1.707 0.005 . 2 . . . A 98 ILE HG13 . 18669 1 264 . 1 1 26 26 ILE HG21 H 1 0.737 0 . 1 . . . A 98 ILE HG21 . 18669 1 265 . 1 1 26 26 ILE HG22 H 1 0.737 0 . 1 . . . A 98 ILE HG22 . 18669 1 266 . 1 1 26 26 ILE HG23 H 1 0.737 0 . 1 . . . A 98 ILE HG23 . 18669 1 267 . 1 1 26 26 ILE HD11 H 1 0.544 0.001 . 1 . . . A 98 ILE HD11 . 18669 1 268 . 1 1 26 26 ILE HD12 H 1 0.544 0.001 . 1 . . . A 98 ILE HD12 . 18669 1 269 . 1 1 26 26 ILE HD13 H 1 0.544 0.001 . 1 . . . A 98 ILE HD13 . 18669 1 270 . 1 1 26 26 ILE CA C 13 61.498 0.02 . 1 . . . A 98 ILE CA . 18669 1 271 . 1 1 26 26 ILE CB C 13 34.708 0.024 . 1 . . . A 98 ILE CB . 18669 1 272 . 1 1 26 26 ILE CG1 C 13 27.808 0.076 . 1 . . . A 98 ILE CG1 . 18669 1 273 . 1 1 26 26 ILE CG2 C 13 17.868 0.038 . 1 . . . A 98 ILE CG2 . 18669 1 274 . 1 1 26 26 ILE CD1 C 13 9.828 0.044 . 1 . . . A 98 ILE CD1 . 18669 1 275 . 1 1 26 26 ILE N N 15 121.162 0.018 . 1 . . . A 98 ILE N . 18669 1 276 . 1 1 27 27 LEU H H 1 8.246 0.004 . 1 . . . A 99 LEU H . 18669 1 277 . 1 1 27 27 LEU HA H 1 3.847 0.001 . 1 . . . A 99 LEU HA . 18669 1 278 . 1 1 27 27 LEU HB2 H 1 1.443 0 . 2 . . . A 99 LEU HB2 . 18669 1 279 . 1 1 27 27 LEU HB3 H 1 1.716 0 . 2 . . . A 99 LEU HB3 . 18669 1 280 . 1 1 27 27 LEU HG H 1 1.476 0.007 . 1 . . . A 99 LEU HG . 18669 1 281 . 1 1 27 27 LEU HD11 H 1 0.852 0.005 . 2 . . . A 99 LEU HD11 . 18669 1 282 . 1 1 27 27 LEU HD12 H 1 0.852 0.005 . 2 . . . A 99 LEU HD12 . 18669 1 283 . 1 1 27 27 LEU HD13 H 1 0.852 0.005 . 2 . . . A 99 LEU HD13 . 18669 1 284 . 1 1 27 27 LEU HD21 H 1 0.92 0 . 2 . . . A 99 LEU HD21 . 18669 1 285 . 1 1 27 27 LEU HD22 H 1 0.92 0 . 2 . . . A 99 LEU HD22 . 18669 1 286 . 1 1 27 27 LEU HD23 H 1 0.92 0 . 2 . . . A 99 LEU HD23 . 18669 1 287 . 1 1 27 27 LEU CA C 13 58.816 0.081 . 1 . . . A 99 LEU CA . 18669 1 288 . 1 1 27 27 LEU CB C 13 42.068 0.012 . 1 . . . A 99 LEU CB . 18669 1 289 . 1 1 27 27 LEU CG C 13 27.009 0.137 . 1 . . . A 99 LEU CG . 18669 1 290 . 1 1 27 27 LEU CD1 C 13 25.467 0.035 . 2 . . . A 99 LEU CD1 . 18669 1 291 . 1 1 27 27 LEU CD2 C 13 23.88 0.036 . 2 . . . A 99 LEU CD2 . 18669 1 292 . 1 1 27 27 LEU N N 15 121.778 0.031 . 1 . . . A 99 LEU N . 18669 1 293 . 1 1 28 28 GLN H H 1 7.584 0.003 . 1 . . . A 100 GLN H . 18669 1 294 . 1 1 28 28 GLN HA H 1 4.292 0 . 1 . . . A 100 GLN HA . 18669 1 295 . 1 1 28 28 GLN HB2 H 1 2.206 0 . 2 . . . A 100 GLN HB2 . 18669 1 296 . 1 1 28 28 GLN HB3 H 1 2.694 0 . 2 . . . A 100 GLN HB3 . 18669 1 297 . 1 1 28 28 GLN HG2 H 1 2.524 0.002 . 2 . . . A 100 GLN HG2 . 18669 1 298 . 1 1 28 28 GLN HG3 H 1 2.713 0 . 2 . . . A 100 GLN HG3 . 18669 1 299 . 1 1 28 28 GLN HE21 H 1 7.162 0.002 . 1 . . . A 100 GLN HE21 . 18669 1 300 . 1 1 28 28 GLN HE22 H 1 7.727 0.001 . 1 . . . A 100 GLN HE22 . 18669 1 301 . 1 1 28 28 GLN CA C 13 60.001 0.047 . 1 . . . A 100 GLN CA . 18669 1 302 . 1 1 28 28 GLN CB C 13 28.877 0.03 . 1 . . . A 100 GLN CB . 18669 1 303 . 1 1 28 28 GLN CG C 13 37.204 0.013 . 1 . . . A 100 GLN CG . 18669 1 304 . 1 1 28 28 GLN N N 15 116.654 0.018 . 1 . . . A 100 GLN N . 18669 1 305 . 1 1 28 28 GLN NE2 N 15 114.65 0.047 . 1 . . . A 100 GLN NE2 . 18669 1 306 . 1 1 29 29 ILE H H 1 7.703 0.002 . 1 . . . A 101 ILE H . 18669 1 307 . 1 1 29 29 ILE HA H 1 3.676 0 . 1 . . . A 101 ILE HA . 18669 1 308 . 1 1 29 29 ILE HB H 1 1.915 0.004 . 1 . . . A 101 ILE HB . 18669 1 309 . 1 1 29 29 ILE HG12 H 1 1.129 0.002 . 2 . . . A 101 ILE HG12 . 18669 1 310 . 1 1 29 29 ILE HG13 H 1 -0.32 0.002 . 2 . . . A 101 ILE HG13 . 18669 1 311 . 1 1 29 29 ILE HG21 H 1 0.656 0 . 1 . . . A 101 ILE HG21 . 18669 1 312 . 1 1 29 29 ILE HG22 H 1 0.656 0 . 1 . . . A 101 ILE HG22 . 18669 1 313 . 1 1 29 29 ILE HG23 H 1 0.656 0 . 1 . . . A 101 ILE HG23 . 18669 1 314 . 1 1 29 29 ILE HD11 H 1 0.264 0.001 . 1 . . . A 101 ILE HD11 . 18669 1 315 . 1 1 29 29 ILE HD12 H 1 0.264 0.001 . 1 . . . A 101 ILE HD12 . 18669 1 316 . 1 1 29 29 ILE HD13 H 1 0.264 0.001 . 1 . . . A 101 ILE HD13 . 18669 1 317 . 1 1 29 29 ILE CA C 13 65.191 0.062 . 1 . . . A 101 ILE CA . 18669 1 318 . 1 1 29 29 ILE CB C 13 36.224 0.045 . 1 . . . A 101 ILE CB . 18669 1 319 . 1 1 29 29 ILE CG1 C 13 26.03 0.04 . 1 . . . A 101 ILE CG1 . 18669 1 320 . 1 1 29 29 ILE CG2 C 13 19.041 0.027 . 1 . . . A 101 ILE CG2 . 18669 1 321 . 1 1 29 29 ILE CD1 C 13 13.629 0.049 . 1 . . . A 101 ILE CD1 . 18669 1 322 . 1 1 29 29 ILE N N 15 121.756 0.024 . 1 . . . A 101 ILE N . 18669 1 323 . 1 1 30 30 LYS H H 1 7.689 0.016 . 1 . . . A 102 LYS H . 18669 1 324 . 1 1 30 30 LYS HA H 1 3.824 0 . 1 . . . A 102 LYS HA . 18669 1 325 . 1 1 30 30 LYS HB2 H 1 1.704 0.004 . 2 . . . A 102 LYS HB2 . 18669 1 326 . 1 1 30 30 LYS HB3 H 1 2.288 0.003 . 2 . . . A 102 LYS HB3 . 18669 1 327 . 1 1 30 30 LYS CA C 13 61.612 0.032 . 1 . . . A 102 LYS CA . 18669 1 328 . 1 1 30 30 LYS CB C 13 32.91 0.081 . 1 . . . A 102 LYS CB . 18669 1 329 . 1 1 30 30 LYS N N 15 119.05 0.023 . 1 . . . A 102 LYS N . 18669 1 330 . 1 1 31 31 GLN H H 1 8.607 0.002 . 1 . . . A 103 GLN H . 18669 1 331 . 1 1 31 31 GLN HB2 H 1 2.075 0 . 2 . . . A 103 GLN HB2 . 18669 1 332 . 1 1 31 31 GLN HB3 H 1 2.294 0 . 2 . . . A 103 GLN HB3 . 18669 1 333 . 1 1 31 31 GLN HG2 H 1 2.404 0.002 . 2 . . . A 103 GLN HG2 . 18669 1 334 . 1 1 31 31 GLN HG3 H 1 2.513 0.002 . 2 . . . A 103 GLN HG3 . 18669 1 335 . 1 1 31 31 GLN HE21 H 1 6.861 0.002 . 1 . . . A 103 GLN HE21 . 18669 1 336 . 1 1 31 31 GLN HE22 H 1 7.322 0.001 . 1 . . . A 103 GLN HE22 . 18669 1 337 . 1 1 31 31 GLN CA C 13 59.031 0.088 . 1 . . . A 103 GLN CA . 18669 1 338 . 1 1 31 31 GLN CB C 13 27.859 0.049 . 1 . . . A 103 GLN CB . 18669 1 339 . 1 1 31 31 GLN CG C 13 33.885 0.016 . 1 . . . A 103 GLN CG . 18669 1 340 . 1 1 31 31 GLN N N 15 116.476 0.052 . 1 . . . A 103 GLN N . 18669 1 341 . 1 1 31 31 GLN NE2 N 15 110.397 0.017 . 1 . . . A 103 GLN NE2 . 18669 1 342 . 1 1 32 32 HIS H H 1 8.111 0.003 . 1 . . . A 104 HIS H . 18669 1 343 . 1 1 32 32 HIS HA H 1 4.328 0 . 1 . . . A 104 HIS HA . 18669 1 344 . 1 1 32 32 HIS HB2 H 1 3.536 0 . 2 . . . A 104 HIS HB2 . 18669 1 345 . 1 1 32 32 HIS HB3 H 1 3.333 0.003 . 2 . . . A 104 HIS HB3 . 18669 1 346 . 1 1 32 32 HIS CA C 13 60.318 0.058 . 1 . . . A 104 HIS CA . 18669 1 347 . 1 1 32 32 HIS CB C 13 30.571 0.069 . 1 . . . A 104 HIS CB . 18669 1 348 . 1 1 32 32 HIS N N 15 121.587 0.023 . 1 . . . A 104 HIS N . 18669 1 349 . 1 1 33 33 LEU H H 1 7.68 0.004 . 1 . . . A 105 LEU H . 18669 1 350 . 1 1 33 33 LEU HA H 1 3.563 0.003 . 1 . . . A 105 LEU HA . 18669 1 351 . 1 1 33 33 LEU HB2 H 1 2.299 0 . 2 . . . A 105 LEU HB2 . 18669 1 352 . 1 1 33 33 LEU HB3 H 1 0.991 0.004 . 2 . . . A 105 LEU HB3 . 18669 1 353 . 1 1 33 33 LEU HG H 1 1.917 0 . 1 . . . A 105 LEU HG . 18669 1 354 . 1 1 33 33 LEU HD11 H 1 1.002 0.001 . 2 . . . A 105 LEU HD11 . 18669 1 355 . 1 1 33 33 LEU HD12 H 1 1.002 0.001 . 2 . . . A 105 LEU HD12 . 18669 1 356 . 1 1 33 33 LEU HD13 H 1 1.002 0.001 . 2 . . . A 105 LEU HD13 . 18669 1 357 . 1 1 33 33 LEU HD21 H 1 0.844 0 . 2 . . . A 105 LEU HD21 . 18669 1 358 . 1 1 33 33 LEU HD22 H 1 0.844 0 . 2 . . . A 105 LEU HD22 . 18669 1 359 . 1 1 33 33 LEU HD23 H 1 0.844 0 . 2 . . . A 105 LEU HD23 . 18669 1 360 . 1 1 33 33 LEU CA C 13 58.203 0.071 . 1 . . . A 105 LEU CA . 18669 1 361 . 1 1 33 33 LEU CB C 13 41.838 0.038 . 1 . . . A 105 LEU CB . 18669 1 362 . 1 1 33 33 LEU CG C 13 27.279 0 . 1 . . . A 105 LEU CG . 18669 1 363 . 1 1 33 33 LEU CD1 C 13 28.179 0.018 . 2 . . . A 105 LEU CD1 . 18669 1 364 . 1 1 33 33 LEU CD2 C 13 24.392 0.099 . 2 . . . A 105 LEU CD2 . 18669 1 365 . 1 1 33 33 LEU N N 15 117.271 0.043 . 1 . . . A 105 LEU N . 18669 1 366 . 1 1 34 34 ILE H H 1 7.589 0.004 . 1 . . . A 106 ILE H . 18669 1 367 . 1 1 34 34 ILE HA H 1 3.922 0.002 . 1 . . . A 106 ILE HA . 18669 1 368 . 1 1 34 34 ILE HB H 1 2.01 0.003 . 1 . . . A 106 ILE HB . 18669 1 369 . 1 1 34 34 ILE HG12 H 1 1.37 0 . 2 . . . A 106 ILE HG12 . 18669 1 370 . 1 1 34 34 ILE HG13 H 1 0.931 0 . 2 . . . A 106 ILE HG13 . 18669 1 371 . 1 1 34 34 ILE HG21 H 1 0.84 0 . 1 . . . A 106 ILE HG21 . 18669 1 372 . 1 1 34 34 ILE HG22 H 1 0.84 0 . 1 . . . A 106 ILE HG22 . 18669 1 373 . 1 1 34 34 ILE HG23 H 1 0.84 0 . 1 . . . A 106 ILE HG23 . 18669 1 374 . 1 1 34 34 ILE HD11 H 1 0.429 0.001 . 1 . . . A 106 ILE HD11 . 18669 1 375 . 1 1 34 34 ILE HD12 H 1 0.429 0.001 . 1 . . . A 106 ILE HD12 . 18669 1 376 . 1 1 34 34 ILE HD13 H 1 0.429 0.001 . 1 . . . A 106 ILE HD13 . 18669 1 377 . 1 1 34 34 ILE CA C 13 63.624 0.085 . 1 . . . A 106 ILE CA . 18669 1 378 . 1 1 34 34 ILE CB C 13 36.798 0.06 . 1 . . . A 106 ILE CB . 18669 1 379 . 1 1 34 34 ILE CG1 C 13 28.121 0.029 . 1 . . . A 106 ILE CG1 . 18669 1 380 . 1 1 34 34 ILE CG2 C 13 16.895 0.039 . 1 . . . A 106 ILE CG2 . 18669 1 381 . 1 1 34 34 ILE CD1 C 13 12.5 0.114 . 1 . . . A 106 ILE CD1 . 18669 1 382 . 1 1 34 34 ILE N N 15 120.032 0.045 . 1 . . . A 106 ILE N . 18669 1 383 . 1 1 35 35 SER H H 1 8.374 0.003 . 1 . . . A 107 SER H . 18669 1 384 . 1 1 35 35 SER HA H 1 4.21 0 . 1 . . . A 107 SER HA . 18669 1 385 . 1 1 35 35 SER HB2 H 1 4.029 0 . 2 . . . A 107 SER HB2 . 18669 1 386 . 1 1 35 35 SER HB3 H 1 3.851 0 . 2 . . . A 107 SER HB3 . 18669 1 387 . 1 1 35 35 SER CA C 13 60.57 0 . 1 . . . A 107 SER CA . 18669 1 388 . 1 1 35 35 SER CB C 13 62.258 0 . 1 . . . A 107 SER CB . 18669 1 389 . 1 1 35 35 SER N N 15 121.062 0.005 . 1 . . . A 107 SER N . 18669 1 390 . 1 1 36 36 GLU H H 1 7.398 0.002 . 1 . . . A 108 GLU H . 18669 1 391 . 1 1 36 36 GLU HA H 1 4.162 0 . 1 . . . A 108 GLU HA . 18669 1 392 . 1 1 36 36 GLU HB2 H 1 2.217 0 . 2 . . . A 108 GLU HB2 . 18669 1 393 . 1 1 36 36 GLU HB3 H 1 1.342 0 . 2 . . . A 108 GLU HB3 . 18669 1 394 . 1 1 36 36 GLU HG3 H 1 1.555 0.002 . 1 . . . A 108 GLU HG3 . 18669 1 395 . 1 1 36 36 GLU CA C 13 55.758 0.116 . 1 . . . A 108 GLU CA . 18669 1 396 . 1 1 36 36 GLU CB C 13 29.569 0.074 . 1 . . . A 108 GLU CB . 18669 1 397 . 1 1 36 36 GLU CG C 13 35.927 0.027 . 1 . . . A 108 GLU CG . 18669 1 398 . 1 1 36 36 GLU N N 15 117.799 0.018 . 1 . . . A 108 GLU N . 18669 1 399 . 1 1 37 37 GLU H H 1 8.107 0.002 . 1 . . . A 109 GLU H . 18669 1 400 . 1 1 37 37 GLU HA H 1 3.965 0 . 1 . . . A 109 GLU HA . 18669 1 401 . 1 1 37 37 GLU HB2 H 1 2.211 0.004 . 2 . . . A 109 GLU HB2 . 18669 1 402 . 1 1 37 37 GLU HB3 H 1 2.176 0 . 2 . . . A 109 GLU HB3 . 18669 1 403 . 1 1 37 37 GLU HG3 H 1 2.138 0 . 1 . . . A 109 GLU HG3 . 18669 1 404 . 1 1 37 37 GLU CA C 13 57.3 0.072 . 1 . . . A 109 GLU CA . 18669 1 405 . 1 1 37 37 GLU CB C 13 26.414 0.033 . 1 . . . A 109 GLU CB . 18669 1 406 . 1 1 37 37 GLU CG C 13 37.074 0.018 . 1 . . . A 109 GLU CG . 18669 1 407 . 1 1 37 37 GLU N N 15 113.786 0.066 . 1 . . . A 109 GLU N . 18669 1 408 . 1 1 38 38 LYS H H 1 8.148 0.002 . 1 . . . A 110 LYS H . 18669 1 409 . 1 1 38 38 LYS HA H 1 4.252 0.002 . 1 . . . A 110 LYS HA . 18669 1 410 . 1 1 38 38 LYS HB2 H 1 1.754 0 . 2 . . . A 110 LYS HB2 . 18669 1 411 . 1 1 38 38 LYS HB3 H 1 1.375 0.008 . 2 . . . A 110 LYS HB3 . 18669 1 412 . 1 1 38 38 LYS HG2 H 1 0.995 0 . 2 . . . A 110 LYS HG2 . 18669 1 413 . 1 1 38 38 LYS HG3 H 1 0.412 0.006 . 2 . . . A 110 LYS HG3 . 18669 1 414 . 1 1 38 38 LYS HD2 H 1 1.138 0 . 2 . . . A 110 LYS HD2 . 18669 1 415 . 1 1 38 38 LYS HD3 H 1 0.986 0 . 2 . . . A 110 LYS HD3 . 18669 1 416 . 1 1 38 38 LYS HE2 H 1 2.402 0.001 . 2 . . . A 110 LYS HE2 . 18669 1 417 . 1 1 38 38 LYS HE3 H 1 1.968 0.001 . 2 . . . A 110 LYS HE3 . 18669 1 418 . 1 1 38 38 LYS CA C 13 54.177 0.078 . 1 . . . A 110 LYS CA . 18669 1 419 . 1 1 38 38 LYS CB C 13 31.379 0.086 . 1 . . . A 110 LYS CB . 18669 1 420 . 1 1 38 38 LYS CG C 13 23.616 0.078 . 1 . . . A 110 LYS CG . 18669 1 421 . 1 1 38 38 LYS CD C 13 26.801 0.039 . 1 . . . A 110 LYS CD . 18669 1 422 . 1 1 38 38 LYS CE C 13 42.055 0.025 . 1 . . . A 110 LYS CE . 18669 1 423 . 1 1 38 38 LYS N N 15 113.174 0.012 . 1 . . . A 110 LYS N . 18669 1 424 . 1 1 39 39 ALA H H 1 7.493 0.003 . 1 . . . A 111 ALA H . 18669 1 425 . 1 1 39 39 ALA HA H 1 4.426 0 . 1 . . . A 111 ALA HA . 18669 1 426 . 1 1 39 39 ALA HB1 H 1 1.337 0 . 1 . . . A 111 ALA HB1 . 18669 1 427 . 1 1 39 39 ALA HB2 H 1 1.337 0 . 1 . . . A 111 ALA HB2 . 18669 1 428 . 1 1 39 39 ALA HB3 H 1 1.337 0 . 1 . . . A 111 ALA HB3 . 18669 1 429 . 1 1 39 39 ALA CA C 13 50.628 0.049 . 1 . . . A 111 ALA CA . 18669 1 430 . 1 1 39 39 ALA CB C 13 21.885 0 . 1 . . . A 111 ALA CB . 18669 1 431 . 1 1 39 39 ALA N N 15 116.494 0.026 . 1 . . . A 111 ALA N . 18669 1 432 . 1 1 40 40 SER H H 1 9.183 0.003 . 1 . . . A 112 SER H . 18669 1 433 . 1 1 40 40 SER HA H 1 4.621 0 . 1 . . . A 112 SER HA . 18669 1 434 . 1 1 40 40 SER HB2 H 1 3.757 0 . 2 . . . A 112 SER HB2 . 18669 1 435 . 1 1 40 40 SER HB3 H 1 3.905 0 . 2 . . . A 112 SER HB3 . 18669 1 436 . 1 1 40 40 SER CA C 13 59.8 0.088 . 1 . . . A 112 SER CA . 18669 1 437 . 1 1 40 40 SER CB C 13 64.867 0.143 . 1 . . . A 112 SER CB . 18669 1 438 . 1 1 40 40 SER N N 15 114.069 0.079 . 1 . . . A 112 SER N . 18669 1 439 . 1 1 41 41 HIS H H 1 7.784 0.003 . 1 . . . A 113 HIS H . 18669 1 440 . 1 1 41 41 HIS HA H 1 4.665 0.006 . 1 . . . A 113 HIS HA . 18669 1 441 . 1 1 41 41 HIS HB2 H 1 2.787 0.002 . 2 . . . A 113 HIS HB2 . 18669 1 442 . 1 1 41 41 HIS HB3 H 1 2.942 0 . 2 . . . A 113 HIS HB3 . 18669 1 443 . 1 1 41 41 HIS CA C 13 56.672 0.075 . 1 . . . A 113 HIS CA . 18669 1 444 . 1 1 41 41 HIS CB C 13 34.728 0.046 . 1 . . . A 113 HIS CB . 18669 1 445 . 1 1 41 41 HIS N N 15 120.413 0.051 . 1 . . . A 113 HIS N . 18669 1 446 . 1 1 42 42 ILE HA H 1 3.667 0.002 . 1 . . . A 114 ILE HA . 18669 1 447 . 1 1 42 42 ILE HB H 1 1.819 0.003 . 1 . . . A 114 ILE HB . 18669 1 448 . 1 1 42 42 ILE HG12 H 1 1.412 0 . 2 . . . A 114 ILE HG12 . 18669 1 449 . 1 1 42 42 ILE HG13 H 1 1.094 0.003 . 2 . . . A 114 ILE HG13 . 18669 1 450 . 1 1 42 42 ILE HG21 H 1 0.847 0 . 1 . . . A 114 ILE HG21 . 18669 1 451 . 1 1 42 42 ILE HG22 H 1 0.847 0 . 1 . . . A 114 ILE HG22 . 18669 1 452 . 1 1 42 42 ILE HG23 H 1 0.847 0 . 1 . . . A 114 ILE HG23 . 18669 1 453 . 1 1 42 42 ILE HD11 H 1 0.81 0 . 1 . . . A 114 ILE HD11 . 18669 1 454 . 1 1 42 42 ILE HD12 H 1 0.81 0 . 1 . . . A 114 ILE HD12 . 18669 1 455 . 1 1 42 42 ILE HD13 H 1 0.81 0 . 1 . . . A 114 ILE HD13 . 18669 1 456 . 1 1 42 42 ILE CA C 13 65.496 0.132 . 1 . . . A 114 ILE CA . 18669 1 457 . 1 1 42 42 ILE CB C 13 38.134 0.028 . 1 . . . A 114 ILE CB . 18669 1 458 . 1 1 42 42 ILE CG1 C 13 27.147 0.097 . 1 . . . A 114 ILE CG1 . 18669 1 459 . 1 1 42 42 ILE CG2 C 13 18.144 0.032 . 1 . . . A 114 ILE CG2 . 18669 1 460 . 1 1 42 42 ILE CD1 C 13 14.062 0.053 . 1 . . . A 114 ILE CD1 . 18669 1 461 . 1 1 43 43 SER H H 1 9.604 0.003 . 1 . . . A 115 SER H . 18669 1 462 . 1 1 43 43 SER HA H 1 4.275 0.006 . 1 . . . A 115 SER HA . 18669 1 463 . 1 1 43 43 SER HB2 H 1 4.07 0 . 2 . . . A 115 SER HB2 . 18669 1 464 . 1 1 43 43 SER HB3 H 1 4.132 0 . 2 . . . A 115 SER HB3 . 18669 1 465 . 1 1 43 43 SER CA C 13 60.676 0.085 . 1 . . . A 115 SER CA . 18669 1 466 . 1 1 43 43 SER CB C 13 63.09 0.042 . 1 . . . A 115 SER CB . 18669 1 467 . 1 1 43 43 SER N N 15 118.456 0.062 . 1 . . . A 115 SER N . 18669 1 468 . 1 1 44 44 GLU H H 1 7.849 0.001 . 1 . . . A 116 GLU H . 18669 1 469 . 1 1 44 44 GLU HA H 1 4.346 0 . 1 . . . A 116 GLU HA . 18669 1 470 . 1 1 44 44 GLU HB2 H 1 2.363 0 . 2 . . . A 116 GLU HB2 . 18669 1 471 . 1 1 44 44 GLU HB3 H 1 2.154 0 . 2 . . . A 116 GLU HB3 . 18669 1 472 . 1 1 44 44 GLU HG2 H 1 2.356 0 . 2 . . . A 116 GLU HG2 . 18669 1 473 . 1 1 44 44 GLU HG3 H 1 2.485 0 . 2 . . . A 116 GLU HG3 . 18669 1 474 . 1 1 44 44 GLU CA C 13 56.72 0.031 . 1 . . . A 116 GLU CA . 18669 1 475 . 1 1 44 44 GLU CB C 13 31.347 0.058 . 1 . . . A 116 GLU CB . 18669 1 476 . 1 1 44 44 GLU CG C 13 37.555 0.021 . 1 . . . A 116 GLU CG . 18669 1 477 . 1 1 44 44 GLU N N 15 119.619 0.013 . 1 . . . A 116 GLU N . 18669 1 478 . 1 1 45 45 ILE H H 1 7.426 0.004 . 1 . . . A 117 ILE H . 18669 1 479 . 1 1 45 45 ILE HA H 1 4.511 0 . 1 . . . A 117 ILE HA . 18669 1 480 . 1 1 45 45 ILE HB H 1 1.694 0.003 . 1 . . . A 117 ILE HB . 18669 1 481 . 1 1 45 45 ILE HG12 H 1 1.713 0 . 2 . . . A 117 ILE HG12 . 18669 1 482 . 1 1 45 45 ILE HG13 H 1 0.612 0 . 2 . . . A 117 ILE HG13 . 18669 1 483 . 1 1 45 45 ILE HG21 H 1 0.783 0 . 1 . . . A 117 ILE HG21 . 18669 1 484 . 1 1 45 45 ILE HG22 H 1 0.783 0 . 1 . . . A 117 ILE HG22 . 18669 1 485 . 1 1 45 45 ILE HG23 H 1 0.783 0 . 1 . . . A 117 ILE HG23 . 18669 1 486 . 1 1 45 45 ILE HD11 H 1 0.822 0 . 1 . . . A 117 ILE HD11 . 18669 1 487 . 1 1 45 45 ILE HD12 H 1 0.822 0 . 1 . . . A 117 ILE HD12 . 18669 1 488 . 1 1 45 45 ILE HD13 H 1 0.822 0 . 1 . . . A 117 ILE HD13 . 18669 1 489 . 1 1 45 45 ILE CA C 13 61.209 0.073 . 1 . . . A 117 ILE CA . 18669 1 490 . 1 1 45 45 ILE CB C 13 40.855 0.045 . 1 . . . A 117 ILE CB . 18669 1 491 . 1 1 45 45 ILE CG1 C 13 27.045 0.024 . 1 . . . A 117 ILE CG1 . 18669 1 492 . 1 1 45 45 ILE CG2 C 13 19.631 0.005 . 1 . . . A 117 ILE CG2 . 18669 1 493 . 1 1 45 45 ILE CD1 C 13 16.161 0.049 . 1 . . . A 117 ILE CD1 . 18669 1 494 . 1 1 45 45 ILE N N 15 117.002 0.031 . 1 . . . A 117 ILE N . 18669 1 495 . 1 1 46 46 LYS H H 1 9.087 0.004 . 1 . . . A 118 LYS H . 18669 1 496 . 1 1 46 46 LYS HA H 1 4.584 0.002 . 1 . . . A 118 LYS HA . 18669 1 497 . 1 1 46 46 LYS HB3 H 1 1.669 0.002 . 1 . . . A 118 LYS HB3 . 18669 1 498 . 1 1 46 46 LYS HG2 H 1 1.288 0 . 2 . . . A 118 LYS HG2 . 18669 1 499 . 1 1 46 46 LYS HG3 H 1 1.513 0 . 2 . . . A 118 LYS HG3 . 18669 1 500 . 1 1 46 46 LYS HD2 H 1 1.689 0 . 2 . . . A 118 LYS HD2 . 18669 1 501 . 1 1 46 46 LYS HD3 H 1 1.645 0.005 . 2 . . . A 118 LYS HD3 . 18669 1 502 . 1 1 46 46 LYS HE2 H 1 2.947 0 . 2 . . . A 118 LYS HE2 . 18669 1 503 . 1 1 46 46 LYS HE3 H 1 2.912 0 . 2 . . . A 118 LYS HE3 . 18669 1 504 . 1 1 46 46 LYS CA C 13 54.745 0.063 . 1 . . . A 118 LYS CA . 18669 1 505 . 1 1 46 46 LYS CB C 13 35.635 0.023 . 1 . . . A 118 LYS CB . 18669 1 506 . 1 1 46 46 LYS CG C 13 24.885 0.037 . 1 . . . A 118 LYS CG . 18669 1 507 . 1 1 46 46 LYS CD C 13 29.645 0.051 . 1 . . . A 118 LYS CD . 18669 1 508 . 1 1 46 46 LYS CE C 13 42.11 0.1 . 1 . . . A 118 LYS CE . 18669 1 509 . 1 1 46 46 LYS N N 15 128.146 0.068 . 1 . . . A 118 LYS N . 18669 1 510 . 1 1 47 47 LEU H H 1 8.597 0.002 . 1 . . . A 119 LEU H . 18669 1 511 . 1 1 47 47 LEU HA H 1 5.423 0.002 . 1 . . . A 119 LEU HA . 18669 1 512 . 1 1 47 47 LEU HB2 H 1 1.171 0.003 . 2 . . . A 119 LEU HB2 . 18669 1 513 . 1 1 47 47 LEU HB3 H 1 1.668 0.004 . 2 . . . A 119 LEU HB3 . 18669 1 514 . 1 1 47 47 LEU HG H 1 1.462 0 . 1 . . . A 119 LEU HG . 18669 1 515 . 1 1 47 47 LEU HD11 H 1 0.792 0 . 2 . . . A 119 LEU HD11 . 18669 1 516 . 1 1 47 47 LEU HD12 H 1 0.792 0 . 2 . . . A 119 LEU HD12 . 18669 1 517 . 1 1 47 47 LEU HD13 H 1 0.792 0 . 2 . . . A 119 LEU HD13 . 18669 1 518 . 1 1 47 47 LEU HD21 H 1 0.833 0 . 2 . . . A 119 LEU HD21 . 18669 1 519 . 1 1 47 47 LEU HD22 H 1 0.833 0 . 2 . . . A 119 LEU HD22 . 18669 1 520 . 1 1 47 47 LEU HD23 H 1 0.833 0 . 2 . . . A 119 LEU HD23 . 18669 1 521 . 1 1 47 47 LEU CA C 13 52.576 0.059 . 1 . . . A 119 LEU CA . 18669 1 522 . 1 1 47 47 LEU CB C 13 44.072 0.051 . 1 . . . A 119 LEU CB . 18669 1 523 . 1 1 47 47 LEU CG C 13 26.973 0 . 1 . . . A 119 LEU CG . 18669 1 524 . 1 1 47 47 LEU CD1 C 13 27.965 0.025 . 2 . . . A 119 LEU CD1 . 18669 1 525 . 1 1 47 47 LEU CD2 C 13 25.382 0.043 . 2 . . . A 119 LEU CD2 . 18669 1 526 . 1 1 47 47 LEU N N 15 122.89 0.03 . 1 . . . A 119 LEU N . 18669 1 527 . 1 1 48 48 LEU H H 1 9.023 0.002 . 1 . . . A 120 LEU H . 18669 1 528 . 1 1 48 48 LEU HA H 1 5.414 0.005 . 1 . . . A 120 LEU HA . 18669 1 529 . 1 1 48 48 LEU HB2 H 1 1.277 0 . 2 . . . A 120 LEU HB2 . 18669 1 530 . 1 1 48 48 LEU HB3 H 1 1.501 0.001 . 2 . . . A 120 LEU HB3 . 18669 1 531 . 1 1 48 48 LEU HG H 1 1.417 0.003 . 1 . . . A 120 LEU HG . 18669 1 532 . 1 1 48 48 LEU HD11 H 1 0.757 0 . 2 . . . A 120 LEU HD11 . 18669 1 533 . 1 1 48 48 LEU HD12 H 1 0.757 0 . 2 . . . A 120 LEU HD12 . 18669 1 534 . 1 1 48 48 LEU HD13 H 1 0.757 0 . 2 . . . A 120 LEU HD13 . 18669 1 535 . 1 1 48 48 LEU HD21 H 1 0.687 0.001 . 2 . . . A 120 LEU HD21 . 18669 1 536 . 1 1 48 48 LEU HD22 H 1 0.687 0.001 . 2 . . . A 120 LEU HD22 . 18669 1 537 . 1 1 48 48 LEU HD23 H 1 0.687 0.001 . 2 . . . A 120 LEU HD23 . 18669 1 538 . 1 1 48 48 LEU CA C 13 54.357 0.09 . 1 . . . A 120 LEU CA . 18669 1 539 . 1 1 48 48 LEU CB C 13 46.645 0.093 . 1 . . . A 120 LEU CB . 18669 1 540 . 1 1 48 48 LEU CG C 13 28.6 0.068 . 1 . . . A 120 LEU CG . 18669 1 541 . 1 1 48 48 LEU CD1 C 13 25.986 0.006 . 2 . . . A 120 LEU CD1 . 18669 1 542 . 1 1 48 48 LEU CD2 C 13 26.637 0.022 . 2 . . . A 120 LEU CD2 . 18669 1 543 . 1 1 48 48 LEU N N 15 120.643 0.035 . 1 . . . A 120 LEU N . 18669 1 544 . 1 1 49 49 LEU H H 1 8.579 0.002 . 1 . . . A 121 LEU H . 18669 1 545 . 1 1 49 49 LEU HA H 1 4.909 0 . 1 . . . A 121 LEU HA . 18669 1 546 . 1 1 49 49 LEU HB2 H 1 1.912 0.001 . 2 . . . A 121 LEU HB2 . 18669 1 547 . 1 1 49 49 LEU HB3 H 1 1.296 0 . 2 . . . A 121 LEU HB3 . 18669 1 548 . 1 1 49 49 LEU HG H 1 1.511 0 . 1 . . . A 121 LEU HG . 18669 1 549 . 1 1 49 49 LEU HD11 H 1 0.968 0.001 . 2 . . . A 121 LEU HD11 . 18669 1 550 . 1 1 49 49 LEU HD12 H 1 0.968 0.001 . 2 . . . A 121 LEU HD12 . 18669 1 551 . 1 1 49 49 LEU HD13 H 1 0.968 0.001 . 2 . . . A 121 LEU HD13 . 18669 1 552 . 1 1 49 49 LEU HD21 H 1 0.927 0 . 2 . . . A 121 LEU HD21 . 18669 1 553 . 1 1 49 49 LEU HD22 H 1 0.927 0 . 2 . . . A 121 LEU HD22 . 18669 1 554 . 1 1 49 49 LEU HD23 H 1 0.927 0 . 2 . . . A 121 LEU HD23 . 18669 1 555 . 1 1 49 49 LEU CA C 13 53.944 0.078 . 1 . . . A 121 LEU CA . 18669 1 556 . 1 1 49 49 LEU CB C 13 45.708 0.085 . 1 . . . A 121 LEU CB . 18669 1 557 . 1 1 49 49 LEU CG C 13 27.929 0 . 1 . . . A 121 LEU CG . 18669 1 558 . 1 1 49 49 LEU CD1 C 13 23.383 0.003 . 2 . . . A 121 LEU CD1 . 18669 1 559 . 1 1 49 49 LEU CD2 C 13 26.664 0.02 . 2 . . . A 121 LEU CD2 . 18669 1 560 . 1 1 49 49 LEU N N 15 121.094 0.021 . 1 . . . A 121 LEU N . 18669 1 561 . 1 1 50 50 LYS H H 1 9.58 0 . 1 . . . A 122 LYS H . 18669 1 562 . 1 1 50 50 LYS HA H 1 3.896 0.001 . 1 . . . A 122 LYS HA . 18669 1 563 . 1 1 50 50 LYS HB2 H 1 1.895 0.001 . 2 . . . A 122 LYS HB2 . 18669 1 564 . 1 1 50 50 LYS HB3 H 1 2.066 0.002 . 2 . . . A 122 LYS HB3 . 18669 1 565 . 1 1 50 50 LYS HG3 H 1 1.507 0 . 1 . . . A 122 LYS HG3 . 18669 1 566 . 1 1 50 50 LYS HD3 H 1 1.763 0 . 1 . . . A 122 LYS HD3 . 18669 1 567 . 1 1 50 50 LYS CA C 13 57.315 0.155 . 1 . . . A 122 LYS CA . 18669 1 568 . 1 1 50 50 LYS CB C 13 30.296 0.061 . 1 . . . A 122 LYS CB . 18669 1 569 . 1 1 50 50 LYS CG C 13 25.401 0.052 . 1 . . . A 122 LYS CG . 18669 1 570 . 1 1 50 50 LYS CD C 13 29.308 0 . 1 . . . A 122 LYS CD . 18669 1 571 . 1 1 50 50 LYS CE C 13 42.306 0.022 . 1 . . . A 122 LYS CE . 18669 1 572 . 1 1 50 50 LYS N N 15 128.637 0 . 1 . . . A 122 LYS N . 18669 1 573 . 1 1 51 51 GLY H H 1 8.492 0.001 . 1 . . . A 123 GLY H . 18669 1 574 . 1 1 51 51 GLY HA2 H 1 3.563 0 . 2 . . . A 123 GLY HA2 . 18669 1 575 . 1 1 51 51 GLY HA3 H 1 4.172 0.006 . 2 . . . A 123 GLY HA3 . 18669 1 576 . 1 1 51 51 GLY CA C 13 45.475 0.038 . 1 . . . A 123 GLY CA . 18669 1 577 . 1 1 51 51 GLY N N 15 104.116 0.013 . 1 . . . A 123 GLY N . 18669 1 578 . 1 1 52 52 LYS H H 1 7.72 0.002 . 1 . . . A 124 LYS H . 18669 1 579 . 1 1 52 52 LYS HA H 1 4.582 0.001 . 1 . . . A 124 LYS HA . 18669 1 580 . 1 1 52 52 LYS HB2 H 1 1.903 0 . 2 . . . A 124 LYS HB2 . 18669 1 581 . 1 1 52 52 LYS HB3 H 1 1.822 0 . 2 . . . A 124 LYS HB3 . 18669 1 582 . 1 1 52 52 LYS HG2 H 1 1.379 0 . 2 . . . A 124 LYS HG2 . 18669 1 583 . 1 1 52 52 LYS HG3 H 1 1.497 0 . 2 . . . A 124 LYS HG3 . 18669 1 584 . 1 1 52 52 LYS HD3 H 1 1.716 0 . 1 . . . A 124 LYS HD3 . 18669 1 585 . 1 1 52 52 LYS CA C 13 54.652 0.086 . 1 . . . A 124 LYS CA . 18669 1 586 . 1 1 52 52 LYS CB C 13 33.798 0.023 . 1 . . . A 124 LYS CB . 18669 1 587 . 1 1 52 52 LYS CG C 13 24.727 0.079 . 1 . . . A 124 LYS CG . 18669 1 588 . 1 1 52 52 LYS CD C 13 29.227 0.041 . 1 . . . A 124 LYS CD . 18669 1 589 . 1 1 52 52 LYS CE C 13 42.252 0 . 1 . . . A 124 LYS CE . 18669 1 590 . 1 1 52 52 LYS N N 15 122.065 0.008 . 1 . . . A 124 LYS N . 18669 1 591 . 1 1 53 53 VAL H H 1 8.527 0.001 . 1 . . . A 125 VAL H . 18669 1 592 . 1 1 53 53 VAL HA H 1 4.033 0 . 1 . . . A 125 VAL HA . 18669 1 593 . 1 1 53 53 VAL HB H 1 1.942 0 . 1 . . . A 125 VAL HB . 18669 1 594 . 1 1 53 53 VAL HG11 H 1 0.852 0.001 . 2 . . . A 125 VAL HG11 . 18669 1 595 . 1 1 53 53 VAL HG12 H 1 0.852 0.001 . 2 . . . A 125 VAL HG12 . 18669 1 596 . 1 1 53 53 VAL HG13 H 1 0.852 0.001 . 2 . . . A 125 VAL HG13 . 18669 1 597 . 1 1 53 53 VAL HG21 H 1 0.992 0 . 2 . . . A 125 VAL HG21 . 18669 1 598 . 1 1 53 53 VAL HG22 H 1 0.992 0 . 2 . . . A 125 VAL HG22 . 18669 1 599 . 1 1 53 53 VAL HG23 H 1 0.992 0 . 2 . . . A 125 VAL HG23 . 18669 1 600 . 1 1 53 53 VAL CA C 13 63.562 0.061 . 1 . . . A 125 VAL CA . 18669 1 601 . 1 1 53 53 VAL CB C 13 31.876 0.059 . 1 . . . A 125 VAL CB . 18669 1 602 . 1 1 53 53 VAL CG1 C 13 21.384 0.031 . 2 . . . A 125 VAL CG1 . 18669 1 603 . 1 1 53 53 VAL CG2 C 13 22.456 0.002 . 2 . . . A 125 VAL CG2 . 18669 1 604 . 1 1 53 53 VAL N N 15 125.351 0.013 . 1 . . . A 125 VAL N . 18669 1 605 . 1 1 54 54 LEU H H 1 8.599 0.002 . 1 . . . A 126 LEU H . 18669 1 606 . 1 1 54 54 LEU HA H 1 4.418 0.002 . 1 . . . A 126 LEU HA . 18669 1 607 . 1 1 54 54 LEU HB2 H 1 1.152 0 . 2 . . . A 126 LEU HB2 . 18669 1 608 . 1 1 54 54 LEU HB3 H 1 1.693 0 . 2 . . . A 126 LEU HB3 . 18669 1 609 . 1 1 54 54 LEU HG H 1 1.787 0 . 1 . . . A 126 LEU HG . 18669 1 610 . 1 1 54 54 LEU HD11 H 1 0.74 0 . 2 . . . A 126 LEU HD11 . 18669 1 611 . 1 1 54 54 LEU HD12 H 1 0.74 0 . 2 . . . A 126 LEU HD12 . 18669 1 612 . 1 1 54 54 LEU HD13 H 1 0.74 0 . 2 . . . A 126 LEU HD13 . 18669 1 613 . 1 1 54 54 LEU HD21 H 1 0.76 0 . 2 . . . A 126 LEU HD21 . 18669 1 614 . 1 1 54 54 LEU HD22 H 1 0.76 0 . 2 . . . A 126 LEU HD22 . 18669 1 615 . 1 1 54 54 LEU HD23 H 1 0.76 0 . 2 . . . A 126 LEU HD23 . 18669 1 616 . 1 1 54 54 LEU CA C 13 53.374 0.063 . 1 . . . A 126 LEU CA . 18669 1 617 . 1 1 54 54 LEU CB C 13 42.893 0.049 . 1 . . . A 126 LEU CB . 18669 1 618 . 1 1 54 54 LEU CG C 13 26.091 0.016 . 1 . . . A 126 LEU CG . 18669 1 619 . 1 1 54 54 LEU CD1 C 13 26.085 0 . 2 . . . A 126 LEU CD1 . 18669 1 620 . 1 1 54 54 LEU CD2 C 13 22.317 0.033 . 2 . . . A 126 LEU CD2 . 18669 1 621 . 1 1 54 54 LEU N N 15 128.545 0.022 . 1 . . . A 126 LEU N . 18669 1 622 . 1 1 55 55 HIS H H 1 7.622 0.002 . 1 . . . A 127 HIS H . 18669 1 623 . 1 1 55 55 HIS HB2 H 1 3.096 0 . 2 . . . A 127 HIS HB2 . 18669 1 624 . 1 1 55 55 HIS HB3 H 1 3.136 0.004 . 2 . . . A 127 HIS HB3 . 18669 1 625 . 1 1 55 55 HIS CA C 13 56.405 0.048 . 1 . . . A 127 HIS CA . 18669 1 626 . 1 1 55 55 HIS CB C 13 31.948 0.145 . 1 . . . A 127 HIS CB . 18669 1 627 . 1 1 55 55 HIS N N 15 123.434 0.026 . 1 . . . A 127 HIS N . 18669 1 628 . 1 1 56 56 ASP H H 1 7.959 0.003 . 1 . . . A 128 ASP H . 18669 1 629 . 1 1 56 56 ASP HA H 1 4.777 0.003 . 1 . . . A 128 ASP HA . 18669 1 630 . 1 1 56 56 ASP HB2 H 1 2.398 0 . 2 . . . A 128 ASP HB2 . 18669 1 631 . 1 1 56 56 ASP HB3 H 1 2.509 0 . 2 . . . A 128 ASP HB3 . 18669 1 632 . 1 1 56 56 ASP CA C 13 57.833 0.103 . 1 . . . A 128 ASP CA . 18669 1 633 . 1 1 56 56 ASP CB C 13 41.703 0.054 . 1 . . . A 128 ASP CB . 18669 1 634 . 1 1 56 56 ASP N N 15 119.289 0.028 . 1 . . . A 128 ASP N . 18669 1 635 . 1 1 57 57 ASN H H 1 8.52 0.003 . 1 . . . A 129 ASN H . 18669 1 636 . 1 1 57 57 ASN HA H 1 4.603 0.001 . 1 . . . A 129 ASN HA . 18669 1 637 . 1 1 57 57 ASN HB3 H 1 2.855 0.005 . 1 . . . A 129 ASN HB3 . 18669 1 638 . 1 1 57 57 ASN HD21 H 1 6.85 0.002 . 1 . . . A 129 ASN HD21 . 18669 1 639 . 1 1 57 57 ASN HD22 H 1 7.635 0.001 . 1 . . . A 129 ASN HD22 . 18669 1 640 . 1 1 57 57 ASN CA C 13 52.692 0 . 1 . . . A 129 ASN CA . 18669 1 641 . 1 1 57 57 ASN CB C 13 38.112 0.01 . 1 . . . A 129 ASN CB . 18669 1 642 . 1 1 57 57 ASN N N 15 112.543 0.055 . 1 . . . A 129 ASN N . 18669 1 643 . 1 1 57 57 ASN ND2 N 15 111.948 0.024 . 1 . . . A 129 ASN ND2 . 18669 1 644 . 1 1 58 58 LEU H H 1 7.305 0.001 . 1 . . . A 130 LEU H . 18669 1 645 . 1 1 58 58 LEU HA H 1 4.148 0 . 1 . . . A 130 LEU HA . 18669 1 646 . 1 1 58 58 LEU HB2 H 1 1.453 0 . 2 . . . A 130 LEU HB2 . 18669 1 647 . 1 1 58 58 LEU HB3 H 1 1.575 0.004 . 2 . . . A 130 LEU HB3 . 18669 1 648 . 1 1 58 58 LEU HG H 1 1.583 0 . 1 . . . A 130 LEU HG . 18669 1 649 . 1 1 58 58 LEU HD11 H 1 0.836 0 . 2 . . . A 130 LEU HD11 . 18669 1 650 . 1 1 58 58 LEU HD12 H 1 0.836 0 . 2 . . . A 130 LEU HD12 . 18669 1 651 . 1 1 58 58 LEU HD13 H 1 0.836 0 . 2 . . . A 130 LEU HD13 . 18669 1 652 . 1 1 58 58 LEU HD21 H 1 0.89 0 . 2 . . . A 130 LEU HD21 . 18669 1 653 . 1 1 58 58 LEU HD22 H 1 0.89 0 . 2 . . . A 130 LEU HD22 . 18669 1 654 . 1 1 58 58 LEU HD23 H 1 0.89 0 . 2 . . . A 130 LEU HD23 . 18669 1 655 . 1 1 58 58 LEU CA C 13 55.438 0.05 . 1 . . . A 130 LEU CA . 18669 1 656 . 1 1 58 58 LEU CB C 13 42.387 0.126 . 1 . . . A 130 LEU CB . 18669 1 657 . 1 1 58 58 LEU CG C 13 26.844 0.064 . 1 . . . A 130 LEU CG . 18669 1 658 . 1 1 58 58 LEU CD1 C 13 25.615 0 . 2 . . . A 130 LEU CD1 . 18669 1 659 . 1 1 58 58 LEU CD2 C 13 24.977 0 . 2 . . . A 130 LEU CD2 . 18669 1 660 . 1 1 58 58 LEU N N 15 122.033 0.033 . 1 . . . A 130 LEU N . 18669 1 661 . 1 1 59 59 PHE H H 1 8.698 0.003 . 1 . . . A 131 PHE H . 18669 1 662 . 1 1 59 59 PHE HA H 1 4.848 0 . 1 . . . A 131 PHE HA . 18669 1 663 . 1 1 59 59 PHE HB2 H 1 2.913 0.008 . 2 . . . A 131 PHE HB2 . 18669 1 664 . 1 1 59 59 PHE HB3 H 1 3.358 0 . 2 . . . A 131 PHE HB3 . 18669 1 665 . 1 1 59 59 PHE HD1 H 1 7.386 0 . 3 . . . A 131 PHE HD1 . 18669 1 666 . 1 1 59 59 PHE HD2 H 1 7.386 0 . 3 . . . A 131 PHE HD2 . 18669 1 667 . 1 1 59 59 PHE CA C 13 57.914 0.011 . 1 . . . A 131 PHE CA . 18669 1 668 . 1 1 59 59 PHE CB C 13 40.22 0.084 . 1 . . . A 131 PHE CB . 18669 1 669 . 1 1 59 59 PHE N N 15 121.779 0.058 . 1 . . . A 131 PHE N . 18669 1 670 . 1 1 60 60 LEU H H 1 9.07 0.002 . 1 . . . A 132 LEU H . 18669 1 671 . 1 1 60 60 LEU HA H 1 3.952 0 . 1 . . . A 132 LEU HA . 18669 1 672 . 1 1 60 60 LEU HB2 H 1 1.436 0 . 2 . . . A 132 LEU HB2 . 18669 1 673 . 1 1 60 60 LEU HB3 H 1 1.98 0.004 . 2 . . . A 132 LEU HB3 . 18669 1 674 . 1 1 60 60 LEU HG H 1 1.563 0 . 1 . . . A 132 LEU HG . 18669 1 675 . 1 1 60 60 LEU HD11 H 1 0.574 0 . 2 . . . A 132 LEU HD11 . 18669 1 676 . 1 1 60 60 LEU HD12 H 1 0.574 0 . 2 . . . A 132 LEU HD12 . 18669 1 677 . 1 1 60 60 LEU HD13 H 1 0.574 0 . 2 . . . A 132 LEU HD13 . 18669 1 678 . 1 1 60 60 LEU HD21 H 1 0.716 0 . 2 . . . A 132 LEU HD21 . 18669 1 679 . 1 1 60 60 LEU HD22 H 1 0.716 0 . 2 . . . A 132 LEU HD22 . 18669 1 680 . 1 1 60 60 LEU HD23 H 1 0.716 0 . 2 . . . A 132 LEU HD23 . 18669 1 681 . 1 1 60 60 LEU CA C 13 57.976 0.028 . 1 . . . A 132 LEU CA . 18669 1 682 . 1 1 60 60 LEU CB C 13 40.263 0.076 . 1 . . . A 132 LEU CB . 18669 1 683 . 1 1 60 60 LEU CG C 13 27.79 0.021 . 1 . . . A 132 LEU CG . 18669 1 684 . 1 1 60 60 LEU CD1 C 13 23.699 0.021 . 2 . . . A 132 LEU CD1 . 18669 1 685 . 1 1 60 60 LEU CD2 C 13 25.686 0.042 . 2 . . . A 132 LEU CD2 . 18669 1 686 . 1 1 60 60 LEU N N 15 122.735 0.017 . 1 . . . A 132 LEU N . 18669 1 687 . 1 1 61 61 SER H H 1 8.816 0.003 . 1 . . . A 133 SER H . 18669 1 688 . 1 1 61 61 SER HA H 1 4.193 0.002 . 1 . . . A 133 SER HA . 18669 1 689 . 1 1 61 61 SER HB2 H 1 3.849 0 . 2 . . . A 133 SER HB2 . 18669 1 690 . 1 1 61 61 SER HB3 H 1 4.042 0 . 2 . . . A 133 SER HB3 . 18669 1 691 . 1 1 61 61 SER CA C 13 60.546 0.051 . 1 . . . A 133 SER CA . 18669 1 692 . 1 1 61 61 SER CB C 13 62.497 0.032 . 1 . . . A 133 SER CB . 18669 1 693 . 1 1 61 61 SER N N 15 113.646 0.013 . 1 . . . A 133 SER N . 18669 1 694 . 1 1 62 62 ASP H H 1 7.846 0.003 . 1 . . . A 134 ASP H . 18669 1 695 . 1 1 62 62 ASP HA H 1 4.779 0.001 . 1 . . . A 134 ASP HA . 18669 1 696 . 1 1 62 62 ASP HB2 H 1 2.912 0 . 2 . . . A 134 ASP HB2 . 18669 1 697 . 1 1 62 62 ASP HB3 H 1 3.074 0 . 2 . . . A 134 ASP HB3 . 18669 1 698 . 1 1 62 62 ASP CA C 13 55.869 0.042 . 1 . . . A 134 ASP CA . 18669 1 699 . 1 1 62 62 ASP CB C 13 41.556 0.033 . 1 . . . A 134 ASP CB . 18669 1 700 . 1 1 62 62 ASP N N 15 121.272 0.023 . 1 . . . A 134 ASP N . 18669 1 701 . 1 1 63 63 LEU H H 1 7.615 0.004 . 1 . . . A 135 LEU H . 18669 1 702 . 1 1 63 63 LEU HA H 1 4.193 0.008 . 1 . . . A 135 LEU HA . 18669 1 703 . 1 1 63 63 LEU HB3 H 1 1.865 0.002 . 1 . . . A 135 LEU HB3 . 18669 1 704 . 1 1 63 63 LEU HG H 1 1.85 0 . 1 . . . A 135 LEU HG . 18669 1 705 . 1 1 63 63 LEU HD11 H 1 0.816 0 . 2 . . . A 135 LEU HD11 . 18669 1 706 . 1 1 63 63 LEU HD12 H 1 0.816 0 . 2 . . . A 135 LEU HD12 . 18669 1 707 . 1 1 63 63 LEU HD13 H 1 0.816 0 . 2 . . . A 135 LEU HD13 . 18669 1 708 . 1 1 63 63 LEU HD21 H 1 1.043 0 . 2 . . . A 135 LEU HD21 . 18669 1 709 . 1 1 63 63 LEU HD22 H 1 1.043 0 . 2 . . . A 135 LEU HD22 . 18669 1 710 . 1 1 63 63 LEU HD23 H 1 1.043 0 . 2 . . . A 135 LEU HD23 . 18669 1 711 . 1 1 63 63 LEU CA C 13 55.599 0.086 . 1 . . . A 135 LEU CA . 18669 1 712 . 1 1 63 63 LEU CB C 13 42.898 0.014 . 1 . . . A 135 LEU CB . 18669 1 713 . 1 1 63 63 LEU CG C 13 26.987 0 . 1 . . . A 135 LEU CG . 18669 1 714 . 1 1 63 63 LEU CD1 C 13 23.447 0 . 2 . . . A 135 LEU CD1 . 18669 1 715 . 1 1 63 63 LEU CD2 C 13 25.995 0 . 2 . . . A 135 LEU CD2 . 18669 1 716 . 1 1 63 63 LEU N N 15 119.216 0.014 . 1 . . . A 135 LEU N . 18669 1 717 . 1 1 64 64 LYS H H 1 7.968 0.004 . 1 . . . A 136 LYS H . 18669 1 718 . 1 1 64 64 LYS HA H 1 4.139 0 . 1 . . . A 136 LYS HA . 18669 1 719 . 1 1 64 64 LYS CA C 13 56.148 0.075 . 1 . . . A 136 LYS CA . 18669 1 720 . 1 1 64 64 LYS CB C 13 29.329 0.027 . 1 . . . A 136 LYS CB . 18669 1 721 . 1 1 64 64 LYS N N 15 118.147 0.001 . 1 . . . A 136 LYS N . 18669 1 722 . 1 1 65 65 VAL H H 1 8.155 0.004 . 1 . . . A 137 VAL H . 18669 1 723 . 1 1 65 65 VAL HA H 1 4.308 0.002 . 1 . . . A 137 VAL HA . 18669 1 724 . 1 1 65 65 VAL HB H 1 2.154 0 . 1 . . . A 137 VAL HB . 18669 1 725 . 1 1 65 65 VAL HG11 H 1 0.885 0 . 2 . . . A 137 VAL HG11 . 18669 1 726 . 1 1 65 65 VAL HG12 H 1 0.885 0 . 2 . . . A 137 VAL HG12 . 18669 1 727 . 1 1 65 65 VAL HG13 H 1 0.885 0 . 2 . . . A 137 VAL HG13 . 18669 1 728 . 1 1 65 65 VAL HG21 H 1 0.883 0 . 2 . . . A 137 VAL HG21 . 18669 1 729 . 1 1 65 65 VAL HG22 H 1 0.883 0 . 2 . . . A 137 VAL HG22 . 18669 1 730 . 1 1 65 65 VAL HG23 H 1 0.883 0 . 2 . . . A 137 VAL HG23 . 18669 1 731 . 1 1 65 65 VAL CA C 13 62.677 0.065 . 1 . . . A 137 VAL CA . 18669 1 732 . 1 1 65 65 VAL CB C 13 32.58 0.055 . 1 . . . A 137 VAL CB . 18669 1 733 . 1 1 65 65 VAL CG1 C 13 21.976 0.09 . 2 . . . A 137 VAL CG1 . 18669 1 734 . 1 1 65 65 VAL CG2 C 13 20.424 0.105 . 2 . . . A 137 VAL CG2 . 18669 1 735 . 1 1 65 65 VAL N N 15 117.312 0.031 . 1 . . . A 137 VAL N . 18669 1 736 . 1 1 66 66 THR H H 1 7.722 0.003 . 1 . . . A 138 THR H . 18669 1 737 . 1 1 66 66 THR HA H 1 4.897 0.002 . 1 . . . A 138 THR HA . 18669 1 738 . 1 1 66 66 THR HB H 1 4.594 0.001 . 1 . . . A 138 THR HB . 18669 1 739 . 1 1 66 66 THR HG21 H 1 1.28 0 . 1 . . . A 138 THR HG21 . 18669 1 740 . 1 1 66 66 THR HG22 H 1 1.28 0 . 1 . . . A 138 THR HG22 . 18669 1 741 . 1 1 66 66 THR HG23 H 1 1.28 0 . 1 . . . A 138 THR HG23 . 18669 1 742 . 1 1 66 66 THR CA C 13 59.005 0.065 . 1 . . . A 138 THR CA . 18669 1 743 . 1 1 66 66 THR CB C 13 69.718 0.122 . 1 . . . A 138 THR CB . 18669 1 744 . 1 1 66 66 THR CG2 C 13 22.176 0.034 . 1 . . . A 138 THR CG2 . 18669 1 745 . 1 1 66 66 THR N N 15 116.19 0.034 . 1 . . . A 138 THR N . 18669 1 746 . 1 1 67 67 PRO HA H 1 4.362 0.001 . 1 . . . A 139 PRO HA . 18669 1 747 . 1 1 67 67 PRO HB2 H 1 1.953 0.009 . 2 . . . A 139 PRO HB2 . 18669 1 748 . 1 1 67 67 PRO HB3 H 1 2.433 0.005 . 2 . . . A 139 PRO HB3 . 18669 1 749 . 1 1 67 67 PRO HG2 H 1 2.049 0 . 2 . . . A 139 PRO HG2 . 18669 1 750 . 1 1 67 67 PRO HG3 H 1 2.218 0 . 2 . . . A 139 PRO HG3 . 18669 1 751 . 1 1 67 67 PRO HD2 H 1 3.925 0 . 2 . . . A 139 PRO HD2 . 18669 1 752 . 1 1 67 67 PRO HD3 H 1 3.845 0 . 2 . . . A 139 PRO HD3 . 18669 1 753 . 1 1 67 67 PRO CA C 13 66.508 0.131 . 1 . . . A 139 PRO CA . 18669 1 754 . 1 1 67 67 PRO CB C 13 31.676 0.067 . 1 . . . A 139 PRO CB . 18669 1 755 . 1 1 67 67 PRO CG C 13 28.171 0.008 . 1 . . . A 139 PRO CG . 18669 1 756 . 1 1 67 67 PRO CD C 13 50.445 0.041 . 1 . . . A 139 PRO CD . 18669 1 757 . 1 1 68 68 ALA HA H 1 4.369 0 . 1 . . . A 140 ALA HA . 18669 1 758 . 1 1 68 68 ALA HB1 H 1 1.407 0 . 1 . . . A 140 ALA HB1 . 18669 1 759 . 1 1 68 68 ALA HB2 H 1 1.407 0 . 1 . . . A 140 ALA HB2 . 18669 1 760 . 1 1 68 68 ALA HB3 H 1 1.407 0 . 1 . . . A 140 ALA HB3 . 18669 1 761 . 1 1 68 68 ALA CA C 13 53.014 0.1 . 1 . . . A 140 ALA CA . 18669 1 762 . 1 1 68 68 ALA CB C 13 19.088 0.03 . 1 . . . A 140 ALA CB . 18669 1 763 . 1 1 69 69 ASN H H 1 8.102 0.003 . 1 . . . A 141 ASN H . 18669 1 764 . 1 1 69 69 ASN HA H 1 5.118 0 . 1 . . . A 141 ASN HA . 18669 1 765 . 1 1 69 69 ASN HB2 H 1 2.975 0.008 . 2 . . . A 141 ASN HB2 . 18669 1 766 . 1 1 69 69 ASN HB3 H 1 2.595 0.004 . 2 . . . A 141 ASN HB3 . 18669 1 767 . 1 1 69 69 ASN HD21 H 1 6.595 0.001 . 1 . . . A 141 ASN HD21 . 18669 1 768 . 1 1 69 69 ASN HD22 H 1 7.456 0.005 . 1 . . . A 141 ASN HD22 . 18669 1 769 . 1 1 69 69 ASN CA C 13 52.192 0.113 . 1 . . . A 141 ASN CA . 18669 1 770 . 1 1 69 69 ASN CB C 13 39.126 0.039 . 1 . . . A 141 ASN CB . 18669 1 771 . 1 1 69 69 ASN N N 15 119.765 0.068 . 1 . . . A 141 ASN N . 18669 1 772 . 1 1 69 69 ASN ND2 N 15 111.242 0.037 . 1 . . . A 141 ASN ND2 . 18669 1 773 . 1 1 70 70 SER H H 1 8.237 0.003 . 1 . . . A 142 SER H . 18669 1 774 . 1 1 70 70 SER HA H 1 4.598 0 . 1 . . . A 142 SER HA . 18669 1 775 . 1 1 70 70 SER HB2 H 1 4.103 0 . 2 . . . A 142 SER HB2 . 18669 1 776 . 1 1 70 70 SER HB3 H 1 4.483 0 . 2 . . . A 142 SER HB3 . 18669 1 777 . 1 1 70 70 SER CA C 13 57.467 0.031 . 1 . . . A 142 SER CA . 18669 1 778 . 1 1 70 70 SER CB C 13 63.617 0.05 . 1 . . . A 142 SER CB . 18669 1 779 . 1 1 70 70 SER N N 15 112.409 0.037 . 1 . . . A 142 SER N . 18669 1 780 . 1 1 71 71 THR H H 1 8.118 0.004 . 1 . . . A 143 THR H . 18669 1 781 . 1 1 71 71 THR HA H 1 5.194 0 . 1 . . . A 143 THR HA . 18669 1 782 . 1 1 71 71 THR HB H 1 4.063 0 . 1 . . . A 143 THR HB . 18669 1 783 . 1 1 71 71 THR HG21 H 1 1.071 0.002 . 1 . . . A 143 THR HG21 . 18669 1 784 . 1 1 71 71 THR HG22 H 1 1.071 0.002 . 1 . . . A 143 THR HG22 . 18669 1 785 . 1 1 71 71 THR HG23 H 1 1.071 0.002 . 1 . . . A 143 THR HG23 . 18669 1 786 . 1 1 71 71 THR CA C 13 62.147 0.059 . 1 . . . A 143 THR CA . 18669 1 787 . 1 1 71 71 THR CB C 13 69.511 0.094 . 1 . . . A 143 THR CB . 18669 1 788 . 1 1 71 71 THR CG2 C 13 21.657 0 . 1 . . . A 143 THR CG2 . 18669 1 789 . 1 1 71 71 THR N N 15 117.575 0.059 . 1 . . . A 143 THR N . 18669 1 790 . 1 1 72 72 ILE H H 1 9.63 0.003 . 1 . . . A 144 ILE H . 18669 1 791 . 1 1 72 72 ILE HA H 1 4.491 0.003 . 1 . . . A 144 ILE HA . 18669 1 792 . 1 1 72 72 ILE HB H 1 1.973 0 . 1 . . . A 144 ILE HB . 18669 1 793 . 1 1 72 72 ILE HG12 H 1 1.274 0 . 2 . . . A 144 ILE HG12 . 18669 1 794 . 1 1 72 72 ILE HG13 H 1 1.326 0 . 2 . . . A 144 ILE HG13 . 18669 1 795 . 1 1 72 72 ILE HG21 H 1 0.864 0 . 1 . . . A 144 ILE HG21 . 18669 1 796 . 1 1 72 72 ILE HG22 H 1 0.864 0 . 1 . . . A 144 ILE HG22 . 18669 1 797 . 1 1 72 72 ILE HG23 H 1 0.864 0 . 1 . . . A 144 ILE HG23 . 18669 1 798 . 1 1 72 72 ILE HD11 H 1 0.63 0.001 . 1 . . . A 144 ILE HD11 . 18669 1 799 . 1 1 72 72 ILE HD12 H 1 0.63 0.001 . 1 . . . A 144 ILE HD12 . 18669 1 800 . 1 1 72 72 ILE HD13 H 1 0.63 0.001 . 1 . . . A 144 ILE HD13 . 18669 1 801 . 1 1 72 72 ILE CA C 13 58.817 0.061 . 1 . . . A 144 ILE CA . 18669 1 802 . 1 1 72 72 ILE CB C 13 39.406 0.046 . 1 . . . A 144 ILE CB . 18669 1 803 . 1 1 72 72 ILE CG1 C 13 28.531 0.035 . 1 . . . A 144 ILE CG1 . 18669 1 804 . 1 1 72 72 ILE CG2 C 13 19.041 0.031 . 1 . . . A 144 ILE CG2 . 18669 1 805 . 1 1 72 72 ILE CD1 C 13 11.731 0.042 . 1 . . . A 144 ILE CD1 . 18669 1 806 . 1 1 72 72 ILE N N 15 131.238 0.041 . 1 . . . A 144 ILE N . 18669 1 807 . 1 1 73 73 THR H H 1 9.239 0.003 . 1 . . . A 145 THR H . 18669 1 808 . 1 1 73 73 THR HA H 1 4.845 0 . 1 . . . A 145 THR HA . 18669 1 809 . 1 1 73 73 THR HB H 1 4.135 0 . 1 . . . A 145 THR HB . 18669 1 810 . 1 1 73 73 THR HG21 H 1 1.246 0.003 . 1 . . . A 145 THR HG21 . 18669 1 811 . 1 1 73 73 THR HG22 H 1 1.246 0.003 . 1 . . . A 145 THR HG22 . 18669 1 812 . 1 1 73 73 THR HG23 H 1 1.246 0.003 . 1 . . . A 145 THR HG23 . 18669 1 813 . 1 1 73 73 THR CA C 13 62.781 0 . 1 . . . A 145 THR CA . 18669 1 814 . 1 1 73 73 THR CB C 13 69.817 0 . 1 . . . A 145 THR CB . 18669 1 815 . 1 1 73 73 THR CG2 C 13 21.738 0 . 1 . . . A 145 THR CG2 . 18669 1 816 . 1 1 73 73 THR N N 15 124.953 0.036 . 1 . . . A 145 THR N . 18669 1 817 . 1 1 74 74 VAL H H 1 8.766 0.003 . 1 . . . A 146 VAL H . 18669 1 818 . 1 1 74 74 VAL HA H 1 4.479 0.002 . 1 . . . A 146 VAL HA . 18669 1 819 . 1 1 74 74 VAL HB H 1 1.629 0.003 . 1 . . . A 146 VAL HB . 18669 1 820 . 1 1 74 74 VAL HG11 H 1 0.872 0 . 2 . . . A 146 VAL HG11 . 18669 1 821 . 1 1 74 74 VAL HG12 H 1 0.872 0 . 2 . . . A 146 VAL HG12 . 18669 1 822 . 1 1 74 74 VAL HG13 H 1 0.872 0 . 2 . . . A 146 VAL HG13 . 18669 1 823 . 1 1 74 74 VAL HG21 H 1 0.912 0.001 . 2 . . . A 146 VAL HG21 . 18669 1 824 . 1 1 74 74 VAL HG22 H 1 0.912 0.001 . 2 . . . A 146 VAL HG22 . 18669 1 825 . 1 1 74 74 VAL HG23 H 1 0.912 0.001 . 2 . . . A 146 VAL HG23 . 18669 1 826 . 1 1 74 74 VAL CA C 13 61.019 0.047 . 1 . . . A 146 VAL CA . 18669 1 827 . 1 1 74 74 VAL CB C 13 33.51 0.071 . 1 . . . A 146 VAL CB . 18669 1 828 . 1 1 74 74 VAL CG1 C 13 21.402 0 . 2 . . . A 146 VAL CG1 . 18669 1 829 . 1 1 74 74 VAL CG2 C 13 22.14 0.003 . 2 . . . A 146 VAL CG2 . 18669 1 830 . 1 1 74 74 VAL N N 15 126.947 0.013 . 1 . . . A 146 VAL N . 18669 1 831 . 1 1 75 75 MET H H 1 9.172 0.003 . 1 . . . A 147 MET H . 18669 1 832 . 1 1 75 75 MET HA H 1 4.846 0 . 1 . . . A 147 MET HA . 18669 1 833 . 1 1 75 75 MET HB2 H 1 1.847 0 . 2 . . . A 147 MET HB2 . 18669 1 834 . 1 1 75 75 MET HB3 H 1 2.069 0.003 . 2 . . . A 147 MET HB3 . 18669 1 835 . 1 1 75 75 MET HG3 H 1 2.39 0.005 . 1 . . . A 147 MET HG3 . 18669 1 836 . 1 1 75 75 MET CA C 13 54.308 0.098 . 1 . . . A 147 MET CA . 18669 1 837 . 1 1 75 75 MET CB C 13 34.833 0.05 . 1 . . . A 147 MET CB . 18669 1 838 . 1 1 75 75 MET CG C 13 32.023 0.043 . 1 . . . A 147 MET CG . 18669 1 839 . 1 1 75 75 MET N N 15 126.593 0.063 . 1 . . . A 147 MET N . 18669 1 840 . 1 1 76 76 ILE H H 1 8.734 0.003 . 1 . . . A 148 ILE H . 18669 1 841 . 1 1 76 76 ILE HA H 1 5.083 0.001 . 1 . . . A 148 ILE HA . 18669 1 842 . 1 1 76 76 ILE HB H 1 1.721 0.003 . 1 . . . A 148 ILE HB . 18669 1 843 . 1 1 76 76 ILE HG12 H 1 1.093 0 . 2 . . . A 148 ILE HG12 . 18669 1 844 . 1 1 76 76 ILE HG13 H 1 1.575 0 . 2 . . . A 148 ILE HG13 . 18669 1 845 . 1 1 76 76 ILE HG21 H 1 0.95 0 . 1 . . . A 148 ILE HG21 . 18669 1 846 . 1 1 76 76 ILE HG22 H 1 0.95 0 . 1 . . . A 148 ILE HG22 . 18669 1 847 . 1 1 76 76 ILE HG23 H 1 0.95 0 . 1 . . . A 148 ILE HG23 . 18669 1 848 . 1 1 76 76 ILE HD11 H 1 0.923 0 . 1 . . . A 148 ILE HD11 . 18669 1 849 . 1 1 76 76 ILE HD12 H 1 0.923 0 . 1 . . . A 148 ILE HD12 . 18669 1 850 . 1 1 76 76 ILE HD13 H 1 0.923 0 . 1 . . . A 148 ILE HD13 . 18669 1 851 . 1 1 76 76 ILE CA C 13 58.986 0.03 . 1 . . . A 148 ILE CA . 18669 1 852 . 1 1 76 76 ILE CB C 13 40.144 0.063 . 1 . . . A 148 ILE CB . 18669 1 853 . 1 1 76 76 ILE CG1 C 13 28.106 0.024 . 1 . . . A 148 ILE CG1 . 18669 1 854 . 1 1 76 76 ILE CG2 C 13 17.422 0.049 . 1 . . . A 148 ILE CG2 . 18669 1 855 . 1 1 76 76 ILE CD1 C 13 12.924 0.036 . 1 . . . A 148 ILE CD1 . 18669 1 856 . 1 1 76 76 ILE N N 15 123.832 0.038 . 1 . . . A 148 ILE N . 18669 1 857 . 1 1 77 77 LYS H H 1 9.026 0.002 . 1 . . . A 149 LYS H . 18669 1 858 . 1 1 77 77 LYS HA H 1 4.779 0.002 . 1 . . . A 149 LYS HA . 18669 1 859 . 1 1 77 77 LYS HB2 H 1 1.896 0.005 . 2 . . . A 149 LYS HB2 . 18669 1 860 . 1 1 77 77 LYS HB3 H 1 1.723 0.002 . 2 . . . A 149 LYS HB3 . 18669 1 861 . 1 1 77 77 LYS HG2 H 1 1.389 0.008 . 2 . . . A 149 LYS HG2 . 18669 1 862 . 1 1 77 77 LYS HG3 H 1 1.476 0.002 . 2 . . . A 149 LYS HG3 . 18669 1 863 . 1 1 77 77 LYS HD3 H 1 1.717 0 . 1 . . . A 149 LYS HD3 . 18669 1 864 . 1 1 77 77 LYS HE2 H 1 3.063 0.002 . 2 . . . A 149 LYS HE2 . 18669 1 865 . 1 1 77 77 LYS HE3 H 1 3.02 0.003 . 2 . . . A 149 LYS HE3 . 18669 1 866 . 1 1 77 77 LYS CA C 13 53.525 0.072 . 1 . . . A 149 LYS CA . 18669 1 867 . 1 1 77 77 LYS CB C 13 33.742 0.076 . 1 . . . A 149 LYS CB . 18669 1 868 . 1 1 77 77 LYS CG C 13 24.689 0.089 . 1 . . . A 149 LYS CG . 18669 1 869 . 1 1 77 77 LYS CD C 13 29.298 0.118 . 1 . . . A 149 LYS CD . 18669 1 870 . 1 1 77 77 LYS CE C 13 42.229 0.076 . 1 . . . A 149 LYS CE . 18669 1 871 . 1 1 77 77 LYS N N 15 131.003 0.02 . 1 . . . A 149 LYS N . 18669 1 872 . 1 1 78 78 PRO HB2 H 1 2.299 0.002 . 2 . . . A 150 PRO HB2 . 18669 1 873 . 1 1 78 78 PRO HB3 H 1 1.843 0.002 . 2 . . . A 150 PRO HB3 . 18669 1 874 . 1 1 78 78 PRO HG2 H 1 2.061 0.002 . 2 . . . A 150 PRO HG2 . 18669 1 875 . 1 1 78 78 PRO HG3 H 1 1.975 0 . 2 . . . A 150 PRO HG3 . 18669 1 876 . 1 1 78 78 PRO HD2 H 1 3.737 0 . 2 . . . A 150 PRO HD2 . 18669 1 877 . 1 1 78 78 PRO HD3 H 1 3.808 0.001 . 2 . . . A 150 PRO HD3 . 18669 1 878 . 1 1 78 78 PRO CA C 13 62.994 0.028 . 1 . . . A 150 PRO CA . 18669 1 879 . 1 1 78 78 PRO CB C 13 32.34 0.044 . 1 . . . A 150 PRO CB . 18669 1 880 . 1 1 78 78 PRO CG C 13 27.602 0.039 . 1 . . . A 150 PRO CG . 18669 1 881 . 1 1 78 78 PRO CD C 13 51.015 0.034 . 1 . . . A 150 PRO CD . 18669 1 882 . 1 1 79 79 ASN H H 1 9.268 0.002 . 1 . . . A 151 ASN H . 18669 1 883 . 1 1 79 79 ASN HA H 1 4.782 0 . 1 . . . A 151 ASN HA . 18669 1 884 . 1 1 79 79 ASN HB2 H 1 2.818 0 . 2 . . . A 151 ASN HB2 . 18669 1 885 . 1 1 79 79 ASN HB3 H 1 2.785 0 . 2 . . . A 151 ASN HB3 . 18669 1 886 . 1 1 79 79 ASN HD21 H 1 7.617 0 . 1 . . . A 151 ASN HD21 . 18669 1 887 . 1 1 79 79 ASN HD22 H 1 6.865 0 . 1 . . . A 151 ASN HD22 . 18669 1 888 . 1 1 79 79 ASN CA C 13 53.17 0.093 . 1 . . . A 151 ASN CA . 18669 1 889 . 1 1 79 79 ASN CB C 13 38.82 0.071 . 1 . . . A 151 ASN CB . 18669 1 890 . 1 1 79 79 ASN N N 15 121.171 0.016 . 1 . . . A 151 ASN N . 18669 1 891 . 1 1 79 79 ASN ND2 N 15 112.456 0 . 1 . . . A 151 ASN ND2 . 18669 1 892 . 1 1 80 80 LEU H H 1 8.36 0.003 . 1 . . . A 152 LEU H . 18669 1 893 . 1 1 80 80 LEU CA C 13 55.249 0 . 1 . . . A 152 LEU CA . 18669 1 894 . 1 1 80 80 LEU CB C 13 42.144 0 . 1 . . . A 152 LEU CB . 18669 1 895 . 1 1 80 80 LEU N N 15 123.36 0.005 . 1 . . . A 152 LEU N . 18669 1 896 . 1 1 87 87 HIS H H 1 7.981 0.001 . 1 . . . A 159 HIS H . 18669 1 897 . 1 1 87 87 HIS CA C 13 57.466 0 . 1 . . . A 159 HIS CA . 18669 1 898 . 1 1 87 87 HIS N N 15 125.606 0.003 . 1 . . . A 159 HIS N . 18669 1 stop_ save_