################################### # 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 15691 _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 9 '3D 1H-15N NOESY' . . . 15691 1 10 '3D 1H-13C NOESY' . . . 15691 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 4 $XEASY . . 15691 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 3 3 HIS H H 1 8.758 0.001 . 1 . . . . 0 HIS H . 15691 1 2 . 1 1 3 3 HIS HA H 1 4.741 0.000 . 1 . . . . 0 HIS HA . 15691 1 3 . 1 1 3 3 HIS N N 15 121.934 0.000 . 1 . . . . 0 HIS N . 15691 1 4 . 1 1 4 4 MET H H 1 8.397 0.003 . 1 . . . . 1 MET H . 15691 1 5 . 1 1 4 4 MET HA H 1 4.696 0.000 . 1 . . . . 1 MET HA . 15691 1 6 . 1 1 4 4 MET HB2 H 1 1.883 0.000 . 2 . . . . 1 MET HB2 . 15691 1 7 . 1 1 4 4 MET HB3 H 1 1.969 0.000 . 2 . . . . 1 MET HB3 . 15691 1 8 . 1 1 4 4 MET HE1 H 1 1.963 0.000 . 1 . . . . 1 MET QE . 15691 1 9 . 1 1 4 4 MET HE2 H 1 1.963 0.000 . 1 . . . . 1 MET QE . 15691 1 10 . 1 1 4 4 MET HE3 H 1 1.963 0.000 . 1 . . . . 1 MET QE . 15691 1 11 . 1 1 4 4 MET HG2 H 1 2.470 0.000 . 2 . . . . 1 MET HG2 . 15691 1 12 . 1 1 4 4 MET HG3 H 1 2.540 0.000 . 2 . . . . 1 MET HG3 . 15691 1 13 . 1 1 4 4 MET N N 15 122.770 0.000 . 1 . . . . 1 MET N . 15691 1 14 . 1 1 5 5 GLY H H 1 8.358 0.002 . 1 . . . . 2 GLY H . 15691 1 15 . 1 1 5 5 GLY HA2 H 1 3.924 0.000 . 2 . . . . 2 GLY HA2 . 15691 1 16 . 1 1 5 5 GLY HA3 H 1 4.382 0.000 . 2 . . . . 2 GLY HA3 . 15691 1 17 . 1 1 5 5 GLY N N 15 112.737 0.000 . 1 . . . . 2 GLY N . 15691 1 18 . 1 1 6 6 SER H H 1 8.406 0.004 . 1 . . . . 3 SER H . 15691 1 19 . 1 1 6 6 SER HA H 1 5.319 0.010 . 1 . . . . 3 SER HA . 15691 1 20 . 1 1 6 6 SER HB2 H 1 3.714 0.001 . 2 . . . . 3 SER HB2 . 15691 1 21 . 1 1 6 6 SER HB3 H 1 3.652 0.000 . 2 . . . . 3 SER HB3 . 15691 1 22 . 1 1 6 6 SER N N 15 114.285 0.000 . 1 . . . . 3 SER N . 15691 1 23 . 1 1 7 7 ILE H H 1 8.900 0.004 . 1 . . . . 4 ILE H . 15691 1 24 . 1 1 7 7 ILE HA H 1 4.453 0.000 . 1 . . . . 4 ILE HA . 15691 1 25 . 1 1 7 7 ILE HB H 1 1.732 0.008 . 1 . . . . 4 ILE HB . 15691 1 26 . 1 1 7 7 ILE HD11 H 1 0.848 0.000 . 1 . . . . 4 ILE QD1 . 15691 1 27 . 1 1 7 7 ILE HD12 H 1 0.848 0.000 . 1 . . . . 4 ILE QD1 . 15691 1 28 . 1 1 7 7 ILE HD13 H 1 0.848 0.000 . 1 . . . . 4 ILE QD1 . 15691 1 29 . 1 1 7 7 ILE HG12 H 1 1.063 0.003 . 2 . . . . 4 ILE HG12 . 15691 1 30 . 1 1 7 7 ILE HG13 H 1 1.467 0.007 . 2 . . . . 4 ILE HG13 . 15691 1 31 . 1 1 7 7 ILE HG21 H 1 0.880 0.008 . 1 . . . . 4 ILE QG2 . 15691 1 32 . 1 1 7 7 ILE HG22 H 1 0.880 0.008 . 1 . . . . 4 ILE QG2 . 15691 1 33 . 1 1 7 7 ILE HG23 H 1 0.880 0.008 . 1 . . . . 4 ILE QG2 . 15691 1 34 . 1 1 7 7 ILE N N 15 121.176 0.000 . 1 . . . . 4 ILE N . 15691 1 35 . 1 1 8 8 ASN H H 1 8.463 0.004 . 1 . . . . 5 ASN H . 15691 1 36 . 1 1 8 8 ASN HA H 1 5.644 0.003 . 1 . . . . 5 ASN HA . 15691 1 37 . 1 1 8 8 ASN HB2 H 1 2.613 0.004 . 2 . . . . 5 ASN QB . 15691 1 38 . 1 1 8 8 ASN HB3 H 1 2.613 0.004 . 2 . . . . 5 ASN QB . 15691 1 39 . 1 1 8 8 ASN HD21 H 1 7.542 0.003 . 2 . . . . 5 ASN HD21 . 15691 1 40 . 1 1 8 8 ASN HD22 H 1 6.819 0.003 . 2 . . . . 5 ASN HD22 . 15691 1 41 . 1 1 8 8 ASN N N 15 123.286 0.000 . 1 . . . . 5 ASN N . 15691 1 42 . 1 1 8 8 ASN ND2 N 15 112.831 0.000 . 1 . . . . 5 ASN ND2 . 15691 1 43 . 1 1 9 9 LEU H H 1 8.702 0.005 . 1 . . . . 6 LEU H . 15691 1 44 . 1 1 9 9 LEU HA H 1 4.724 0.008 . 1 . . . . 6 LEU HA . 15691 1 45 . 1 1 9 9 LEU HB2 H 1 1.499 0.000 . 2 . . . . 6 LEU HB2 . 15691 1 46 . 1 1 9 9 LEU HB3 H 1 1.419 0.000 . 2 . . . . 6 LEU HB3 . 15691 1 47 . 1 1 9 9 LEU HD11 H 1 0.878 0.005 . 2 . . . . 6 LEU QD1 . 15691 1 48 . 1 1 9 9 LEU HD12 H 1 0.878 0.005 . 2 . . . . 6 LEU QD1 . 15691 1 49 . 1 1 9 9 LEU HD13 H 1 0.878 0.005 . 2 . . . . 6 LEU QD1 . 15691 1 50 . 1 1 9 9 LEU HD21 H 1 0.854 0.000 . 2 . . . . 6 LEU QD2 . 15691 1 51 . 1 1 9 9 LEU HD22 H 1 0.854 0.000 . 2 . . . . 6 LEU QD2 . 15691 1 52 . 1 1 9 9 LEU HD23 H 1 0.854 0.000 . 2 . . . . 6 LEU QD2 . 15691 1 53 . 1 1 9 9 LEU HG H 1 1.575 0.000 . 1 . . . . 6 LEU HG . 15691 1 54 . 1 1 9 9 LEU N N 15 124.526 0.000 . 1 . . . . 6 LEU N . 15691 1 55 . 1 1 10 10 ARG H H 1 8.392 0.001 . 1 . . . . 7 ARG H . 15691 1 56 . 1 1 10 10 ARG HA H 1 4.959 0.003 . 1 . . . . 7 ARG HA . 15691 1 57 . 1 1 10 10 ARG HB2 H 1 1.685 0.000 . 2 . . . . 7 ARG QB . 15691 1 58 . 1 1 10 10 ARG HB3 H 1 1.685 0.000 . 2 . . . . 7 ARG QB . 15691 1 59 . 1 1 10 10 ARG HD2 H 1 3.155 0.000 . 2 . . . . 7 ARG QD . 15691 1 60 . 1 1 10 10 ARG HD3 H 1 3.155 0.000 . 2 . . . . 7 ARG QD . 15691 1 61 . 1 1 10 10 ARG HG2 H 1 1.505 0.000 . 2 . . . . 7 ARG QG . 15691 1 62 . 1 1 10 10 ARG HG3 H 1 1.505 0.000 . 2 . . . . 7 ARG QG . 15691 1 63 . 1 1 10 10 ARG N N 15 122.536 0.000 . 1 . . . . 7 ARG N . 15691 1 64 . 1 1 11 11 ILE H H 1 8.185 0.004 . 1 . . . . 8 ILE H . 15691 1 65 . 1 1 11 11 ILE HA H 1 4.451 0.001 . 1 . . . . 8 ILE HA . 15691 1 66 . 1 1 11 11 ILE HB H 1 1.664 0.000 . 1 . . . . 8 ILE HB . 15691 1 67 . 1 1 11 11 ILE HD11 H 1 0.739 0.000 . 1 . . . . 8 ILE QD1 . 15691 1 68 . 1 1 11 11 ILE HD12 H 1 0.739 0.000 . 1 . . . . 8 ILE QD1 . 15691 1 69 . 1 1 11 11 ILE HD13 H 1 0.739 0.000 . 1 . . . . 8 ILE QD1 . 15691 1 70 . 1 1 11 11 ILE HG12 H 1 1.141 0.004 . 2 . . . . 8 ILE HG12 . 15691 1 71 . 1 1 11 11 ILE HG13 H 1 1.465 0.000 . 2 . . . . 8 ILE HG13 . 15691 1 72 . 1 1 11 11 ILE HG21 H 1 0.760 0.000 . 1 . . . . 8 ILE QG2 . 15691 1 73 . 1 1 11 11 ILE HG22 H 1 0.760 0.000 . 1 . . . . 8 ILE QG2 . 15691 1 74 . 1 1 11 11 ILE HG23 H 1 0.760 0.000 . 1 . . . . 8 ILE QG2 . 15691 1 75 . 1 1 11 11 ILE N N 15 120.379 0.000 . 1 . . . . 8 ILE N . 15691 1 76 . 1 1 12 12 ASP H H 1 8.770 0.001 . 1 . . . . 9 ASP H . 15691 1 77 . 1 1 12 12 ASP HA H 1 4.665 0.011 . 1 . . . . 9 ASP HA . 15691 1 78 . 1 1 12 12 ASP HB2 H 1 2.726 0.000 . 2 . . . . 9 ASP HB2 . 15691 1 79 . 1 1 12 12 ASP HB3 H 1 2.641 0.000 . 2 . . . . 9 ASP HB3 . 15691 1 80 . 1 1 12 12 ASP N N 15 127.483 0.000 . 1 . . . . 9 ASP N . 15691 1 81 . 1 1 13 13 ASP H H 1 8.900 0.003 . 1 . . . . 10 ASP H . 15691 1 82 . 1 1 13 13 ASP HA H 1 4.327 0.001 . 1 . . . . 10 ASP HA . 15691 1 83 . 1 1 13 13 ASP HB2 H 1 2.670 0.000 . 2 . . . . 10 ASP HB2 . 15691 1 84 . 1 1 13 13 ASP HB3 H 1 2.629 0.000 . 2 . . . . 10 ASP HB3 . 15691 1 85 . 1 1 13 13 ASP N N 15 125.578 0.000 . 1 . . . . 10 ASP N . 15691 1 86 . 1 1 14 14 GLU H H 1 8.683 0.002 . 1 . . . . 11 GLU H . 15691 1 87 . 1 1 14 14 GLU HA H 1 4.163 0.000 . 1 . . . . 11 GLU HA . 15691 1 88 . 1 1 14 14 GLU HB2 H 1 2.105 0.002 . 2 . . . . 11 GLU QB . 15691 1 89 . 1 1 14 14 GLU HB3 H 1 2.105 0.002 . 2 . . . . 11 GLU QB . 15691 1 90 . 1 1 14 14 GLU HG2 H 1 2.311 0.000 . 2 . . . . 11 GLU HG2 . 15691 1 91 . 1 1 14 14 GLU HG3 H 1 2.406 0.000 . 2 . . . . 11 GLU HG3 . 15691 1 92 . 1 1 14 14 GLU N N 15 121.786 0.000 . 1 . . . . 11 GLU N . 15691 1 93 . 1 1 15 15 LEU H H 1 7.804 0.003 . 1 . . . . 12 LEU H . 15691 1 94 . 1 1 15 15 LEU HA H 1 4.198 0.000 . 1 . . . . 12 LEU HA . 15691 1 95 . 1 1 15 15 LEU HB2 H 1 1.720 0.002 . 2 . . . . 12 LEU HB2 . 15691 1 96 . 1 1 15 15 LEU HB3 H 1 1.900 0.004 . 2 . . . . 12 LEU HB3 . 15691 1 97 . 1 1 15 15 LEU HD11 H 1 0.873 0.003 . 2 . . . . 12 LEU QD1 . 15691 1 98 . 1 1 15 15 LEU HD12 H 1 0.873 0.003 . 2 . . . . 12 LEU QD1 . 15691 1 99 . 1 1 15 15 LEU HD13 H 1 0.873 0.003 . 2 . . . . 12 LEU QD1 . 15691 1 100 . 1 1 15 15 LEU HD21 H 1 1.146 0.000 . 2 . . . . 12 LEU QD2 . 15691 1 101 . 1 1 15 15 LEU HD22 H 1 1.146 0.000 . 2 . . . . 12 LEU QD2 . 15691 1 102 . 1 1 15 15 LEU HD23 H 1 1.146 0.000 . 2 . . . . 12 LEU QD2 . 15691 1 103 . 1 1 15 15 LEU HG H 1 1.374 0.000 . 1 . . . . 12 LEU HG . 15691 1 104 . 1 1 15 15 LEU N N 15 121.926 0.000 . 1 . . . . 12 LEU N . 15691 1 105 . 1 1 16 16 LYS H H 1 8.543 0.005 . 1 . . . . 13 LYS H . 15691 1 106 . 1 1 16 16 LYS HA H 1 3.417 0.001 . 1 . . . . 13 LYS HA . 15691 1 107 . 1 1 16 16 LYS HB2 H 1 1.539 0.000 . 2 . . . . 13 LYS HB2 . 15691 1 108 . 1 1 16 16 LYS HB3 H 1 1.786 0.002 . 2 . . . . 13 LYS HB3 . 15691 1 109 . 1 1 16 16 LYS HD2 H 1 1.344 0.000 . 2 . . . . 13 LYS QD . 15691 1 110 . 1 1 16 16 LYS HD3 H 1 1.344 0.000 . 2 . . . . 13 LYS QD . 15691 1 111 . 1 1 16 16 LYS HE2 H 1 2.641 0.000 . 2 . . . . 13 LYS HE2 . 15691 1 112 . 1 1 16 16 LYS HG2 H 1 0.505 0.000 . 2 . . . . 13 LYS QG . 15691 1 113 . 1 1 16 16 LYS HG3 H 1 0.505 0.000 . 2 . . . . 13 LYS QG . 15691 1 114 . 1 1 16 16 LYS N N 15 122.348 0.000 . 1 . . . . 13 LYS N . 15691 1 115 . 1 1 17 17 ALA H H 1 7.880 0.004 . 1 . . . . 14 ALA H . 15691 1 116 . 1 1 17 17 ALA HA H 1 4.008 0.001 . 1 . . . . 14 ALA HA . 15691 1 117 . 1 1 17 17 ALA HB1 H 1 1.508 0.000 . 1 . . . . 14 ALA QB . 15691 1 118 . 1 1 17 17 ALA HB2 H 1 1.508 0.000 . 1 . . . . 14 ALA QB . 15691 1 119 . 1 1 17 17 ALA HB3 H 1 1.508 0.000 . 1 . . . . 14 ALA QB . 15691 1 120 . 1 1 17 17 ALA N N 15 118.879 0.000 . 1 . . . . 14 ALA N . 15691 1 121 . 1 1 18 18 ARG H H 1 8.171 0.005 . 1 . . . . 15 ARG H . 15691 1 122 . 1 1 18 18 ARG HA H 1 4.222 0.000 . 1 . . . . 15 ARG HA . 15691 1 123 . 1 1 18 18 ARG HB2 H 1 1.883 0.002 . 2 . . . . 15 ARG QB . 15691 1 124 . 1 1 18 18 ARG HB3 H 1 1.883 0.002 . 2 . . . . 15 ARG QB . 15691 1 125 . 1 1 18 18 ARG HD2 H 1 3.183 0.000 . 2 . . . . 15 ARG HD2 . 15691 1 126 . 1 1 18 18 ARG HD3 H 1 3.345 0.000 . 2 . . . . 15 ARG HD3 . 15691 1 127 . 1 1 18 18 ARG HG2 H 1 1.718 0.002 . 2 . . . . 15 ARG HG2 . 15691 1 128 . 1 1 18 18 ARG N N 15 116.863 0.000 . 1 . . . . 15 ARG N . 15691 1 129 . 1 1 19 19 SER H H 1 8.979 0.003 . 1 . . . . 16 SER H . 15691 1 130 . 1 1 19 19 SER HA H 1 4.024 0.000 . 1 . . . . 16 SER HA . 15691 1 131 . 1 1 19 19 SER HB2 H 1 4.017 0.004 . 2 . . . . 16 SER HB2 . 15691 1 132 . 1 1 19 19 SER HB3 H 1 3.813 0.005 . 2 . . . . 16 SER HB3 . 15691 1 133 . 1 1 19 19 SER N N 15 116.816 0.000 . 1 . . . . 16 SER N . 15691 1 134 . 1 1 20 20 TYR H H 1 9.355 0.005 . 1 . . . . 17 TYR H . 15691 1 135 . 1 1 20 20 TYR HA H 1 4.373 0.003 . 1 . . . . 17 TYR HA . 15691 1 136 . 1 1 20 20 TYR HB2 H 1 2.966 0.000 . 2 . . . . 17 TYR HB2 . 15691 1 137 . 1 1 20 20 TYR HB3 H 1 3.547 0.001 . 2 . . . . 17 TYR HB3 . 15691 1 138 . 1 1 20 20 TYR HD1 H 1 7.239 0.002 . 3 . . . . 17 TYR QD . 15691 1 139 . 1 1 20 20 TYR HD2 H 1 7.239 0.002 . 3 . . . . 17 TYR QD . 15691 1 140 . 1 1 20 20 TYR HE1 H 1 6.637 0.000 . 3 . . . . 17 TYR QE . 15691 1 141 . 1 1 20 20 TYR HE2 H 1 6.637 0.000 . 3 . . . . 17 TYR QE . 15691 1 142 . 1 1 20 20 TYR N N 15 125.948 0.000 . 1 . . . . 17 TYR N . 15691 1 143 . 1 1 21 21 ALA H H 1 7.764 0.004 . 1 . . . . 18 ALA H . 15691 1 144 . 1 1 21 21 ALA HA H 1 4.339 0.009 . 1 . . . . 18 ALA HA . 15691 1 145 . 1 1 21 21 ALA HB1 H 1 1.567 0.001 . 1 . . . . 18 ALA QB . 15691 1 146 . 1 1 21 21 ALA HB2 H 1 1.567 0.001 . 1 . . . . 18 ALA QB . 15691 1 147 . 1 1 21 21 ALA HB3 H 1 1.567 0.001 . 1 . . . . 18 ALA QB . 15691 1 148 . 1 1 21 21 ALA N N 15 122.114 0.000 . 1 . . . . 18 ALA N . 15691 1 149 . 1 1 22 22 ALA H H 1 7.374 0.004 . 1 . . . . 19 ALA H . 15691 1 150 . 1 1 22 22 ALA HA H 1 4.171 0.000 . 1 . . . . 19 ALA HA . 15691 1 151 . 1 1 22 22 ALA HB1 H 1 1.541 0.003 . 1 . . . . 19 ALA QB . 15691 1 152 . 1 1 22 22 ALA HB2 H 1 1.541 0.003 . 1 . . . . 19 ALA QB . 15691 1 153 . 1 1 22 22 ALA HB3 H 1 1.541 0.003 . 1 . . . . 19 ALA QB . 15691 1 154 . 1 1 22 22 ALA N N 15 121.786 0.000 . 1 . . . . 19 ALA N . 15691 1 155 . 1 1 23 23 LEU H H 1 8.452 0.006 . 1 . . . . 20 LEU H . 15691 1 156 . 1 1 23 23 LEU HA H 1 4.085 0.000 . 1 . . . . 20 LEU HA . 15691 1 157 . 1 1 23 23 LEU HB2 H 1 2.105 0.000 . 2 . . . . 20 LEU HB2 . 15691 1 158 . 1 1 23 23 LEU HB3 H 1 1.800 0.000 . 2 . . . . 20 LEU HB3 . 15691 1 159 . 1 1 23 23 LEU HD11 H 1 0.764 0.000 . 2 . . . . 20 LEU QD1 . 15691 1 160 . 1 1 23 23 LEU HD12 H 1 0.764 0.000 . 2 . . . . 20 LEU QD1 . 15691 1 161 . 1 1 23 23 LEU HD13 H 1 0.764 0.000 . 2 . . . . 20 LEU QD1 . 15691 1 162 . 1 1 23 23 LEU HD21 H 1 0.554 0.000 . 2 . . . . 20 LEU QD2 . 15691 1 163 . 1 1 23 23 LEU HD22 H 1 0.554 0.000 . 2 . . . . 20 LEU QD2 . 15691 1 164 . 1 1 23 23 LEU HD23 H 1 0.554 0.000 . 2 . . . . 20 LEU QD2 . 15691 1 165 . 1 1 23 23 LEU HG H 1 1.827 0.000 . 1 . . . . 20 LEU HG . 15691 1 166 . 1 1 23 23 LEU N N 15 119.676 0.000 . 1 . . . . 20 LEU N . 15691 1 167 . 1 1 24 24 GLU H H 1 8.072 0.001 . 1 . . . . 21 GLU H . 15691 1 168 . 1 1 24 24 GLU HA H 1 4.073 0.000 . 1 . . . . 21 GLU HA . 15691 1 169 . 1 1 24 24 GLU HB2 H 1 2.204 0.000 . 2 . . . . 21 GLU HB2 . 15691 1 170 . 1 1 24 24 GLU HB3 H 1 2.116 0.002 . 2 . . . . 21 GLU HB3 . 15691 1 171 . 1 1 24 24 GLU HG2 H 1 2.415 0.000 . 2 . . . . 21 GLU HG2 . 15691 1 172 . 1 1 24 24 GLU HG3 H 1 2.225 0.000 . 2 . . . . 21 GLU HG3 . 15691 1 173 . 1 1 24 24 GLU N N 15 119.073 0.000 . 1 . . . . 21 GLU N . 15691 1 174 . 1 1 25 25 LYS H H 1 7.545 0.003 . 1 . . . . 22 LYS H . 15691 1 175 . 1 1 25 25 LYS HA H 1 4.080 0.000 . 1 . . . . 22 LYS HA . 15691 1 176 . 1 1 25 25 LYS HB2 H 1 2.009 0.000 . 2 . . . . 22 LYS QB . 15691 1 177 . 1 1 25 25 LYS HB3 H 1 2.009 0.000 . 2 . . . . 22 LYS QB . 15691 1 178 . 1 1 25 25 LYS HD2 H 1 1.696 0.000 . 2 . . . . 22 LYS QD . 15691 1 179 . 1 1 25 25 LYS HD3 H 1 1.696 0.000 . 2 . . . . 22 LYS QD . 15691 1 180 . 1 1 25 25 LYS HE2 H 1 2.985 0.000 . 2 . . . . 22 LYS QE . 15691 1 181 . 1 1 25 25 LYS HE3 H 1 2.985 0.000 . 2 . . . . 22 LYS QE . 15691 1 182 . 1 1 25 25 LYS HG2 H 1 1.492 0.000 . 2 . . . . 22 LYS HG2 . 15691 1 183 . 1 1 25 25 LYS HG3 H 1 1.661 0.000 . 2 . . . . 22 LYS HG3 . 15691 1 184 . 1 1 25 25 LYS N N 15 120.004 0.000 . 1 . . . . 22 LYS N . 15691 1 185 . 1 1 26 26 MET H H 1 7.948 0.001 . 1 . . . . 23 MET H . 15691 1 186 . 1 1 26 26 MET HA H 1 4.239 0.003 . 1 . . . . 23 MET HA . 15691 1 187 . 1 1 26 26 MET HB2 H 1 2.202 0.001 . 2 . . . . 23 MET HB2 . 15691 1 188 . 1 1 26 26 MET HB3 H 1 2.301 0.000 . 2 . . . . 23 MET HB3 . 15691 1 189 . 1 1 26 26 MET HE1 H 1 1.799 0.000 . 1 . . . . 23 MET QE . 15691 1 190 . 1 1 26 26 MET HE2 H 1 1.799 0.000 . 1 . . . . 23 MET QE . 15691 1 191 . 1 1 26 26 MET HE3 H 1 1.799 0.000 . 1 . . . . 23 MET QE . 15691 1 192 . 1 1 26 26 MET HG2 H 1 2.712 0.000 . 2 . . . . 23 MET HG2 . 15691 1 193 . 1 1 26 26 MET HG3 H 1 2.517 0.000 . 2 . . . . 23 MET HG3 . 15691 1 194 . 1 1 26 26 MET N N 15 116.254 0.000 . 1 . . . . 23 MET N . 15691 1 195 . 1 1 27 27 GLY H H 1 7.994 0.005 . 1 . . . . 24 GLY H . 15691 1 196 . 1 1 27 27 GLY HA2 H 1 3.876 0.001 . 2 . . . . 24 GLY HA2 . 15691 1 197 . 1 1 27 27 GLY HA3 H 1 4.068 0.000 . 2 . . . . 24 GLY HA3 . 15691 1 198 . 1 1 27 27 GLY N N 15 108.595 0.000 . 1 . . . . 24 GLY N . 15691 1 199 . 1 1 28 28 VAL H H 1 7.572 0.005 . 1 . . . . 25 VAL H . 15691 1 200 . 1 1 28 28 VAL HA H 1 4.412 0.000 . 1 . . . . 25 VAL HA . 15691 1 201 . 1 1 28 28 VAL HB H 1 1.740 0.000 . 1 . . . . 25 VAL HB . 15691 1 202 . 1 1 28 28 VAL HG11 H 1 0.873 0.002 . 2 . . . . 25 VAL QG1 . 15691 1 203 . 1 1 28 28 VAL HG12 H 1 0.873 0.002 . 2 . . . . 25 VAL QG1 . 15691 1 204 . 1 1 28 28 VAL HG13 H 1 0.873 0.002 . 2 . . . . 25 VAL QG1 . 15691 1 205 . 1 1 28 28 VAL HG21 H 1 0.995 0.005 . 2 . . . . 25 VAL QG2 . 15691 1 206 . 1 1 28 28 VAL HG22 H 1 0.995 0.005 . 2 . . . . 25 VAL QG2 . 15691 1 207 . 1 1 28 28 VAL HG23 H 1 0.995 0.005 . 2 . . . . 25 VAL QG2 . 15691 1 208 . 1 1 28 28 VAL N N 15 120.661 0.000 . 1 . . . . 25 VAL N . 15691 1 209 . 1 1 29 29 THR H H 1 8.515 0.003 . 1 . . . . 26 THR H . 15691 1 210 . 1 1 29 29 THR HA H 1 4.688 0.002 . 1 . . . . 26 THR HA . 15691 1 211 . 1 1 29 29 THR HB H 1 4.641 0.003 . 1 . . . . 26 THR HB . 15691 1 212 . 1 1 29 29 THR HG21 H 1 1.337 0.001 . 1 . . . . 26 THR QG2 . 15691 1 213 . 1 1 29 29 THR HG22 H 1 1.337 0.001 . 1 . . . . 26 THR QG2 . 15691 1 214 . 1 1 29 29 THR HG23 H 1 1.337 0.001 . 1 . . . . 26 THR QG2 . 15691 1 215 . 1 1 29 29 THR N N 15 117.426 0.000 . 1 . . . . 26 THR N . 15691 1 216 . 1 1 30 30 PRO HB2 H 1 1.892 0.000 . 2 . . . . 27 PRO QB . 15691 1 217 . 1 1 30 30 PRO HB3 H 1 1.892 0.000 . 2 . . . . 27 PRO QB . 15691 1 218 . 1 1 30 30 PRO HD2 H 1 3.795 0.002 . 2 . . . . 27 PRO HD2 . 15691 1 219 . 1 1 30 30 PRO HD3 H 1 3.706 0.001 . 2 . . . . 27 PRO HD3 . 15691 1 220 . 1 1 30 30 PRO HG2 H 1 1.678 0.000 . 2 . . . . 27 PRO HG2 . 15691 1 221 . 1 1 31 31 SER H H 1 8.103 0.005 . 1 . . . . 28 SER H . 15691 1 222 . 1 1 31 31 SER HA H 1 4.067 0.000 . 1 . . . . 28 SER HA . 15691 1 223 . 1 1 31 31 SER HB2 H 1 3.977 0.000 . 2 . . . . 28 SER QB . 15691 1 224 . 1 1 31 31 SER HB3 H 1 3.977 0.000 . 2 . . . . 28 SER QB . 15691 1 225 . 1 1 31 31 SER N N 15 109.799 0.000 . 1 . . . . 28 SER N . 15691 1 226 . 1 1 32 32 GLU H H 1 7.855 0.003 . 1 . . . . 29 GLU H . 15691 1 227 . 1 1 32 32 GLU HA H 1 4.277 0.000 . 1 . . . . 29 GLU HA . 15691 1 228 . 1 1 32 32 GLU HB2 H 1 1.989 0.001 . 2 . . . . 29 GLU HB2 . 15691 1 229 . 1 1 32 32 GLU HB3 H 1 2.187 0.002 . 2 . . . . 29 GLU HB3 . 15691 1 230 . 1 1 32 32 GLU HG2 H 1 2.222 0.000 . 2 . . . . 29 GLU HG2 . 15691 1 231 . 1 1 32 32 GLU HG3 H 1 2.313 0.000 . 2 . . . . 29 GLU HG3 . 15691 1 232 . 1 1 32 32 GLU N N 15 124.646 0.000 . 1 . . . . 29 GLU N . 15691 1 233 . 1 1 33 33 ALA H H 1 8.251 0.006 . 1 . . . . 30 ALA H . 15691 1 234 . 1 1 33 33 ALA HA H 1 3.940 0.001 . 1 . . . . 30 ALA HA . 15691 1 235 . 1 1 33 33 ALA HB1 H 1 1.368 0.002 . 1 . . . . 30 ALA QB . 15691 1 236 . 1 1 33 33 ALA HB2 H 1 1.368 0.002 . 1 . . . . 30 ALA QB . 15691 1 237 . 1 1 33 33 ALA HB3 H 1 1.368 0.002 . 1 . . . . 30 ALA QB . 15691 1 238 . 1 1 33 33 ALA N N 15 120.942 0.000 . 1 . . . . 30 ALA N . 15691 1 239 . 1 1 34 34 LEU H H 1 8.194 0.001 . 1 . . . . 31 LEU H . 15691 1 240 . 1 1 34 34 LEU HA H 1 4.062 0.001 . 1 . . . . 31 LEU HA . 15691 1 241 . 1 1 34 34 LEU HB2 H 1 1.565 0.000 . 2 . . . . 31 LEU HB2 . 15691 1 242 . 1 1 34 34 LEU HB3 H 1 1.912 0.000 . 2 . . . . 31 LEU HB3 . 15691 1 243 . 1 1 34 34 LEU HG H 1 1.716 0.002 . 1 . . . . 31 LEU HG . 15691 1 244 . 1 1 34 34 LEU N N 15 115.738 0.000 . 1 . . . . 31 LEU N . 15691 1 245 . 1 1 35 35 ARG H H 1 8.239 0.007 . 1 . . . . 32 ARG H . 15691 1 246 . 1 1 35 35 ARG HA H 1 3.748 0.004 . 1 . . . . 32 ARG HA . 15691 1 247 . 1 1 35 35 ARG HB2 H 1 1.956 0.001 . 2 . . . . 32 ARG HB2 . 15691 1 248 . 1 1 35 35 ARG HB3 H 1 2.030 0.001 . 2 . . . . 32 ARG HB3 . 15691 1 249 . 1 1 35 35 ARG HD2 H 1 3.069 0.000 . 2 . . . . 32 ARG HD2 . 15691 1 250 . 1 1 35 35 ARG HD3 H 1 3.318 0.000 . 2 . . . . 32 ARG HD3 . 15691 1 251 . 1 1 35 35 ARG HG2 H 1 1.442 0.000 . 2 . . . . 32 ARG HG2 . 15691 1 252 . 1 1 35 35 ARG HG3 H 1 1.566 0.000 . 2 . . . . 32 ARG HG3 . 15691 1 253 . 1 1 35 35 ARG N N 15 120.661 0.000 . 1 . . . . 32 ARG N . 15691 1 254 . 1 1 36 36 LEU H H 1 8.311 0.007 . 1 . . . . 33 LEU H . 15691 1 255 . 1 1 36 36 LEU HA H 1 3.885 0.000 . 1 . . . . 33 LEU HA . 15691 1 256 . 1 1 36 36 LEU HB2 H 1 1.038 0.003 . 2 . . . . 33 LEU HB2 . 15691 1 257 . 1 1 36 36 LEU HB3 H 1 1.928 0.000 . 2 . . . . 33 LEU HB3 . 15691 1 258 . 1 1 36 36 LEU HD11 H 1 0.876 0.000 . 2 . . . . 33 LEU QD1 . 15691 1 259 . 1 1 36 36 LEU HD12 H 1 0.876 0.000 . 2 . . . . 33 LEU QD1 . 15691 1 260 . 1 1 36 36 LEU HD13 H 1 0.876 0.000 . 2 . . . . 33 LEU QD1 . 15691 1 261 . 1 1 36 36 LEU HD21 H 1 0.802 0.000 . 2 . . . . 33 LEU QD2 . 15691 1 262 . 1 1 36 36 LEU HD22 H 1 0.802 0.000 . 2 . . . . 33 LEU QD2 . 15691 1 263 . 1 1 36 36 LEU HD23 H 1 0.802 0.000 . 2 . . . . 33 LEU QD2 . 15691 1 264 . 1 1 36 36 LEU HG H 1 1.818 0.009 . 1 . . . . 33 LEU HG . 15691 1 265 . 1 1 36 36 LEU N N 15 117.238 0.000 . 1 . . . . 33 LEU N . 15691 1 266 . 1 1 37 37 MET H H 1 8.066 0.005 . 1 . . . . 34 MET H . 15691 1 267 . 1 1 37 37 MET HA H 1 4.000 0.000 . 1 . . . . 34 MET HA . 15691 1 268 . 1 1 37 37 MET HB2 H 1 2.441 0.000 . 2 . . . . 34 MET HB2 . 15691 1 269 . 1 1 37 37 MET HB3 H 1 2.531 0.002 . 2 . . . . 34 MET HB3 . 15691 1 270 . 1 1 37 37 MET HE1 H 1 2.033 0.000 . 1 . . . . 34 MET QE . 15691 1 271 . 1 1 37 37 MET HE2 H 1 2.033 0.000 . 1 . . . . 34 MET QE . 15691 1 272 . 1 1 37 37 MET HE3 H 1 2.033 0.000 . 1 . . . . 34 MET QE . 15691 1 273 . 1 1 37 37 MET HG2 H 1 2.579 0.000 . 2 . . . . 34 MET HG2 . 15691 1 274 . 1 1 37 37 MET HG3 H 1 2.503 0.000 . 2 . . . . 34 MET HG3 . 15691 1 275 . 1 1 37 37 MET N N 15 119.159 0.000 . 1 . . . . 34 MET N . 15691 1 276 . 1 1 38 38 LEU H H 1 8.805 0.003 . 1 . . . . 35 LEU H . 15691 1 277 . 1 1 38 38 LEU HA H 1 4.064 0.005 . 1 . . . . 35 LEU HA . 15691 1 278 . 1 1 38 38 LEU HB2 H 1 1.989 0.000 . 2 . . . . 35 LEU HB2 . 15691 1 279 . 1 1 38 38 LEU HB3 H 1 1.560 0.001 . 2 . . . . 35 LEU HB3 . 15691 1 280 . 1 1 38 38 LEU HD11 H 1 0.882 0.013 . 2 . . . . 35 LEU QD1 . 15691 1 281 . 1 1 38 38 LEU HD12 H 1 0.882 0.013 . 2 . . . . 35 LEU QD1 . 15691 1 282 . 1 1 38 38 LEU HD13 H 1 0.882 0.013 . 2 . . . . 35 LEU QD1 . 15691 1 283 . 1 1 38 38 LEU HD21 H 1 0.891 0.009 . 2 . . . . 35 LEU QD2 . 15691 1 284 . 1 1 38 38 LEU HD22 H 1 0.891 0.009 . 2 . . . . 35 LEU QD2 . 15691 1 285 . 1 1 38 38 LEU HD23 H 1 0.891 0.009 . 2 . . . . 35 LEU QD2 . 15691 1 286 . 1 1 38 38 LEU HG H 1 2.031 0.000 . 1 . . . . 35 LEU HG . 15691 1 287 . 1 1 38 38 LEU N N 15 118.872 0.000 . 1 . . . . 35 LEU N . 15691 1 288 . 1 1 39 39 GLU H H 1 8.873 0.007 . 1 . . . . 36 GLU H . 15691 1 289 . 1 1 39 39 GLU HA H 1 3.864 0.000 . 1 . . . . 36 GLU HA . 15691 1 290 . 1 1 39 39 GLU HB2 H 1 2.011 0.001 . 2 . . . . 36 GLU QB . 15691 1 291 . 1 1 39 39 GLU HB3 H 1 2.011 0.001 . 2 . . . . 36 GLU QB . 15691 1 292 . 1 1 39 39 GLU HG2 H 1 2.214 0.000 . 2 . . . . 36 GLU HG2 . 15691 1 293 . 1 1 39 39 GLU HG3 H 1 2.436 0.002 . 2 . . . . 36 GLU HG3 . 15691 1 294 . 1 1 39 39 GLU N N 15 120.379 0.000 . 1 . . . . 36 GLU N . 15691 1 295 . 1 1 40 40 TYR H H 1 7.809 0.005 . 1 . . . . 37 TYR H . 15691 1 296 . 1 1 40 40 TYR HA H 1 3.891 0.007 . 1 . . . . 37 TYR HA . 15691 1 297 . 1 1 40 40 TYR HB2 H 1 3.257 0.002 . 2 . . . . 37 TYR HB2 . 15691 1 298 . 1 1 40 40 TYR HB3 H 1 2.857 0.003 . 2 . . . . 37 TYR HB3 . 15691 1 299 . 1 1 40 40 TYR HD1 H 1 6.996 0.013 . 3 . . . . 37 TYR QD . 15691 1 300 . 1 1 40 40 TYR HD2 H 1 6.996 0.013 . 3 . . . . 37 TYR QD . 15691 1 301 . 1 1 40 40 TYR HE1 H 1 6.595 0.004 . 3 . . . . 37 TYR QE . 15691 1 302 . 1 1 40 40 TYR HE2 H 1 6.595 0.004 . 3 . . . . 37 TYR QE . 15691 1 303 . 1 1 40 40 TYR N N 15 119.363 0.000 . 1 . . . . 37 TYR N . 15691 1 304 . 1 1 41 41 ILE H H 1 8.605 0.000 . 1 . . . . 38 ILE H . 15691 1 305 . 1 1 41 41 ILE HA H 1 3.843 0.000 . 1 . . . . 38 ILE HA . 15691 1 306 . 1 1 41 41 ILE HB H 1 1.896 0.000 . 1 . . . . 38 ILE HB . 15691 1 307 . 1 1 41 41 ILE HD11 H 1 0.862 0.007 . 1 . . . . 38 ILE QD1 . 15691 1 308 . 1 1 41 41 ILE HD12 H 1 0.862 0.007 . 1 . . . . 38 ILE QD1 . 15691 1 309 . 1 1 41 41 ILE HD13 H 1 0.862 0.007 . 1 . . . . 38 ILE QD1 . 15691 1 310 . 1 1 41 41 ILE HG12 H 1 2.160 0.000 . 2 . . . . 38 ILE HG12 . 15691 1 311 . 1 1 41 41 ILE HG13 H 1 1.123 0.016 . 2 . . . . 38 ILE HG13 . 15691 1 312 . 1 1 41 41 ILE HG21 H 1 0.901 0.000 . 1 . . . . 38 ILE QG2 . 15691 1 313 . 1 1 41 41 ILE HG22 H 1 0.901 0.000 . 1 . . . . 38 ILE QG2 . 15691 1 314 . 1 1 41 41 ILE HG23 H 1 0.901 0.000 . 1 . . . . 38 ILE QG2 . 15691 1 315 . 1 1 41 41 ILE N N 15 121.009 0.000 . 1 . . . . 38 ILE N . 15691 1 316 . 1 1 42 42 ALA H H 1 8.609 0.001 . 1 . . . . 39 ALA H . 15691 1 317 . 1 1 42 42 ALA HA H 1 3.820 0.000 . 1 . . . . 39 ALA HA . 15691 1 318 . 1 1 42 42 ALA HB1 H 1 1.305 0.001 . 1 . . . . 39 ALA QB . 15691 1 319 . 1 1 42 42 ALA HB2 H 1 1.305 0.001 . 1 . . . . 39 ALA QB . 15691 1 320 . 1 1 42 42 ALA HB3 H 1 1.305 0.001 . 1 . . . . 39 ALA QB . 15691 1 321 . 1 1 42 42 ALA N N 15 121.026 0.000 . 1 . . . . 39 ALA N . 15691 1 322 . 1 1 43 43 ASP H H 1 8.060 0.005 . 1 . . . . 40 ASP H . 15691 1 323 . 1 1 43 43 ASP HA H 1 4.423 0.001 . 1 . . . . 40 ASP HA . 15691 1 324 . 1 1 43 43 ASP HB2 H 1 2.401 0.000 . 2 . . . . 40 ASP HB2 . 15691 1 325 . 1 1 43 43 ASP HB3 H 1 2.489 0.000 . 2 . . . . 40 ASP HB3 . 15691 1 326 . 1 1 43 43 ASP N N 15 114.238 0.000 . 1 . . . . 40 ASP N . 15691 1 327 . 1 1 44 44 ASN H H 1 8.020 0.004 . 1 . . . . 41 ASN H . 15691 1 328 . 1 1 44 44 ASN HA H 1 4.649 0.005 . 1 . . . . 41 ASN HA . 15691 1 329 . 1 1 44 44 ASN HB2 H 1 2.032 0.006 . 2 . . . . 41 ASN HB2 . 15691 1 330 . 1 1 44 44 ASN HB3 H 1 2.216 0.002 . 2 . . . . 41 ASN HB3 . 15691 1 331 . 1 1 44 44 ASN HD21 H 1 5.738 0.002 . 2 . . . . 41 ASN HD21 . 15691 1 332 . 1 1 44 44 ASN HD22 H 1 6.971 0.004 . 2 . . . . 41 ASN HD22 . 15691 1 333 . 1 1 44 44 ASN N N 15 113.441 0.000 . 1 . . . . 41 ASN N . 15691 1 334 . 1 1 44 44 ASN ND2 N 15 116.722 0.000 . 1 . . . . 41 ASN ND2 . 15691 1 335 . 1 1 45 45 GLU H H 1 8.878 0.005 . 1 . . . . 42 GLU H . 15691 1 336 . 1 1 45 45 GLU HA H 1 3.831 0.003 . 1 . . . . 42 GLU HA . 15691 1 337 . 1 1 45 45 GLU HB2 H 1 2.091 0.000 . 2 . . . . 42 GLU QB . 15691 1 338 . 1 1 45 45 GLU HB3 H 1 2.091 0.000 . 2 . . . . 42 GLU QB . 15691 1 339 . 1 1 45 45 GLU HG2 H 1 2.131 0.002 . 2 . . . . 42 GLU QG . 15691 1 340 . 1 1 45 45 GLU HG3 H 1 2.131 0.002 . 2 . . . . 42 GLU QG . 15691 1 341 . 1 1 45 45 GLU N N 15 117.987 0.000 . 1 . . . . 42 GLU N . 15691 1 342 . 1 1 46 46 ARG H H 1 7.046 0.003 . 1 . . . . 43 ARG H . 15691 1 343 . 1 1 46 46 ARG HA H 1 4.628 0.001 . 1 . . . . 43 ARG HA . 15691 1 344 . 1 1 46 46 ARG HB2 H 1 1.749 0.000 . 2 . . . . 43 ARG HB2 . 15691 1 345 . 1 1 46 46 ARG HB3 H 1 1.992 0.000 . 2 . . . . 43 ARG HB3 . 15691 1 346 . 1 1 46 46 ARG HD2 H 1 3.193 0.000 . 2 . . . . 43 ARG HD2 . 15691 1 347 . 1 1 46 46 ARG HD3 H 1 3.232 0.000 . 2 . . . . 43 ARG HD3 . 15691 1 348 . 1 1 46 46 ARG HG2 H 1 1.504 0.002 . 2 . . . . 43 ARG QG . 15691 1 349 . 1 1 46 46 ARG HG3 H 1 1.504 0.002 . 2 . . . . 43 ARG QG . 15691 1 350 . 1 1 46 46 ARG N N 15 110.852 0.000 . 1 . . . . 43 ARG N . 15691 1 351 . 1 1 47 47 LEU H H 1 8.646 0.004 . 1 . . . . 44 LEU H . 15691 1 352 . 1 1 47 47 LEU HA H 1 4.497 0.000 . 1 . . . . 44 LEU HA . 15691 1 353 . 1 1 47 47 LEU HB2 H 1 1.054 0.000 . 2 . . . . 44 LEU HB2 . 15691 1 354 . 1 1 47 47 LEU HB3 H 1 1.947 0.000 . 2 . . . . 44 LEU HB3 . 15691 1 355 . 1 1 47 47 LEU HD11 H 1 1.032 0.001 . 2 . . . . 44 LEU QD1 . 15691 1 356 . 1 1 47 47 LEU HD12 H 1 1.032 0.001 . 2 . . . . 44 LEU QD1 . 15691 1 357 . 1 1 47 47 LEU HD13 H 1 1.032 0.001 . 2 . . . . 44 LEU QD1 . 15691 1 358 . 1 1 47 47 LEU HD21 H 1 0.848 0.002 . 2 . . . . 44 LEU QD2 . 15691 1 359 . 1 1 47 47 LEU HD22 H 1 0.848 0.002 . 2 . . . . 44 LEU QD2 . 15691 1 360 . 1 1 47 47 LEU HD23 H 1 0.848 0.002 . 2 . . . . 44 LEU QD2 . 15691 1 361 . 1 1 47 47 LEU HG H 1 1.775 0.000 . 1 . . . . 44 LEU HG . 15691 1 362 . 1 1 47 47 LEU N N 15 117.098 0.000 . 1 . . . . 44 LEU N . 15691 1 363 . 1 1 48 48 PRO HA H 1 4.153 0.000 . 1 . . . . 45 PRO HA . 15691 1 364 . 1 1 48 48 PRO HB2 H 1 1.390 0.000 . 2 . . . . 45 PRO HB2 . 15691 1 365 . 1 1 48 48 PRO HB3 H 1 0.544 0.000 . 2 . . . . 45 PRO HB3 . 15691 1 366 . 1 1 48 48 PRO HD2 H 1 3.253 0.003 . 2 . . . . 45 PRO HD2 . 15691 1 367 . 1 1 48 48 PRO HD3 H 1 2.777 0.000 . 2 . . . . 45 PRO HD3 . 15691 1 368 . 1 1 48 48 PRO HG2 H 1 0.636 0.000 . 2 . . . . 45 PRO HG2 . 15691 1 369 . 1 1 48 48 PRO HG3 H 1 1.209 0.000 . 2 . . . . 45 PRO HG3 . 15691 1 370 . 1 1 49 49 PHE H H 1 6.228 0.004 . 1 . . . . 46 PHE H . 15691 1 371 . 1 1 49 49 PHE HA H 1 4.535 0.000 . 1 . . . . 46 PHE HA . 15691 1 372 . 1 1 49 49 PHE HB2 H 1 2.941 0.000 . 2 . . . . 46 PHE HB2 . 15691 1 373 . 1 1 49 49 PHE HB3 H 1 3.131 0.000 . 2 . . . . 46 PHE HB3 . 15691 1 374 . 1 1 49 49 PHE HD1 H 1 6.885 0.002 . 3 . . . . 46 PHE QD . 15691 1 375 . 1 1 49 49 PHE HD2 H 1 6.885 0.002 . 3 . . . . 46 PHE QD . 15691 1 376 . 1 1 49 49 PHE HE1 H 1 7.041 0.000 . 3 . . . . 46 PHE QE . 15691 1 377 . 1 1 49 49 PHE HE2 H 1 7.041 0.000 . 3 . . . . 46 PHE QE . 15691 1 378 . 1 1 49 49 PHE N N 15 115.175 0.000 . 1 . . . . 46 PHE N . 15691 1 379 . 1 1 50 50 LYS H H 1 8.549 0.000 . 1 . . . . 47 LYS H . 15691 1 380 . 1 1 50 50 LYS HA H 1 4.359 0.000 . 1 . . . . 47 LYS HA . 15691 1 381 . 1 1 50 50 LYS HB2 H 1 1.797 0.000 . 2 . . . . 47 LYS HB2 . 15691 1 382 . 1 1 50 50 LYS HB3 H 1 1.882 0.000 . 2 . . . . 47 LYS HB3 . 15691 1 383 . 1 1 50 50 LYS HD2 H 1 1.737 0.000 . 2 . . . . 47 LYS QD . 15691 1 384 . 1 1 50 50 LYS HD3 H 1 1.737 0.000 . 2 . . . . 47 LYS QD . 15691 1 385 . 1 1 50 50 LYS HE2 H 1 3.017 0.000 . 2 . . . . 47 LYS QE . 15691 1 386 . 1 1 50 50 LYS HE3 H 1 3.017 0.000 . 2 . . . . 47 LYS QE . 15691 1 387 . 1 1 50 50 LYS HG2 H 1 1.456 0.000 . 2 . . . . 47 LYS QG . 15691 1 388 . 1 1 50 50 LYS HG3 H 1 1.456 0.000 . 2 . . . . 47 LYS QG . 15691 1 389 . 1 1 50 50 LYS N N 15 120.968 0.000 . 1 . . . . 47 LYS N . 15691 1 390 . 1 1 51 51 GLN H H 1 8.593 0.002 . 1 . . . . 48 GLN H . 15691 1 391 . 1 1 51 51 GLN HA H 1 4.356 0.000 . 1 . . . . 48 GLN HA . 15691 1 392 . 1 1 51 51 GLN HB2 H 1 1.998 0.000 . 2 . . . . 48 GLN HB2 . 15691 1 393 . 1 1 51 51 GLN HB3 H 1 2.155 0.000 . 2 . . . . 48 GLN HB3 . 15691 1 394 . 1 1 51 51 GLN HE21 H 1 7.632 0.003 . 2 . . . . 48 GLN HE21 . 15691 1 395 . 1 1 51 51 GLN HE22 H 1 6.858 0.003 . 2 . . . . 48 GLN HE22 . 15691 1 396 . 1 1 51 51 GLN HG2 H 1 2.358 0.000 . 2 . . . . 48 GLN QG . 15691 1 397 . 1 1 51 51 GLN HG3 H 1 2.358 0.000 . 2 . . . . 48 GLN QG . 15691 1 398 . 1 1 51 51 GLN N N 15 122.165 0.000 . 1 . . . . 48 GLN N . 15691 1 399 . 1 1 51 51 GLN NE2 N 15 112.242 0.000 . 1 . . . . 48 GLN NE2 . 15691 1 400 . 1 1 52 52 THR H H 1 8.229 0.003 . 1 . . . . 49 THR H . 15691 1 401 . 1 1 52 52 THR HA H 1 4.441 0.000 . 1 . . . . 49 THR HA . 15691 1 402 . 1 1 52 52 THR HB H 1 4.250 0.000 . 1 . . . . 49 THR HB . 15691 1 403 . 1 1 52 52 THR HG21 H 1 1.202 0.000 . 1 . . . . 49 THR QG2 . 15691 1 404 . 1 1 52 52 THR HG22 H 1 1.202 0.000 . 1 . . . . 49 THR QG2 . 15691 1 405 . 1 1 52 52 THR HG23 H 1 1.202 0.000 . 1 . . . . 49 THR QG2 . 15691 1 406 . 1 1 52 52 THR N N 15 116.609 0.000 . 1 . . . . 49 THR N . 15691 1 407 . 1 1 53 53 LEU H H 1 7.995 0.003 . 1 . . . . 50 LEU H . 15691 1 408 . 1 1 53 53 LEU HA H 1 4.193 0.000 . 1 . . . . 50 LEU HA . 15691 1 409 . 1 1 53 53 LEU HB2 H 1 1.595 0.000 . 2 . . . . 50 LEU QB . 15691 1 410 . 1 1 53 53 LEU HB3 H 1 1.595 0.000 . 2 . . . . 50 LEU QB . 15691 1 411 . 1 1 53 53 LEU HD11 H 1 0.871 0.000 . 2 . . . . 50 LEU QD1 . 15691 1 412 . 1 1 53 53 LEU HD12 H 1 0.871 0.000 . 2 . . . . 50 LEU QD1 . 15691 1 413 . 1 1 53 53 LEU HD13 H 1 0.871 0.000 . 2 . . . . 50 LEU QD1 . 15691 1 414 . 1 1 53 53 LEU N N 15 130.257 0.000 . 1 . . . . 50 LEU N . 15691 1 stop_ save_