################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chemical_shift_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_1 _Assigned_chem_shift_list.Entry_ID 11344 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $condition_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '3D 13C-separated NOESY' 1 $sample_1 isotropic 11344 1 2 '3D 15N-separated NOESY' 1 $sample_1 isotropic 11344 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $XWINNMR . . 11344 1 2 $NMRPipe . . 11344 1 3 $NMRView . . 11344 1 4 $Kujira . . 11344 1 5 $CYANA . . 11344 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 7 7 GLY HA2 H 1 3.953 0.030 . 1 . . . . 7 GLY HA2 . 11344 1 2 . 1 1 7 7 GLY HA3 H 1 3.953 0.030 . 1 . . . . 7 GLY HA3 . 11344 1 3 . 1 1 7 7 GLY C C 13 173.924 0.300 . 1 . . . . 7 GLY C . 11344 1 4 . 1 1 7 7 GLY CA C 13 45.336 0.300 . 1 . . . . 7 GLY CA . 11344 1 5 . 1 1 8 8 ARG H H 1 8.097 0.030 . 1 . . . . 8 ARG H . 11344 1 6 . 1 1 8 8 ARG HA H 1 4.340 0.030 . 1 . . . . 8 ARG HA . 11344 1 7 . 1 1 8 8 ARG HB2 H 1 1.807 0.030 . 2 . . . . 8 ARG HB2 . 11344 1 8 . 1 1 8 8 ARG HB3 H 1 1.738 0.030 . 2 . . . . 8 ARG HB3 . 11344 1 9 . 1 1 8 8 ARG HD2 H 1 3.175 0.030 . 1 . . . . 8 ARG HD2 . 11344 1 10 . 1 1 8 8 ARG HD3 H 1 3.175 0.030 . 1 . . . . 8 ARG HD3 . 11344 1 11 . 1 1 8 8 ARG HG2 H 1 1.621 0.030 . 1 . . . . 8 ARG HG2 . 11344 1 12 . 1 1 8 8 ARG HG3 H 1 1.621 0.030 . 1 . . . . 8 ARG HG3 . 11344 1 13 . 1 1 8 8 ARG C C 13 176.305 0.300 . 1 . . . . 8 ARG C . 11344 1 14 . 1 1 8 8 ARG CA C 13 56.091 0.300 . 1 . . . . 8 ARG CA . 11344 1 15 . 1 1 8 8 ARG CB C 13 30.911 0.300 . 1 . . . . 8 ARG CB . 11344 1 16 . 1 1 8 8 ARG CD C 13 43.357 0.300 . 1 . . . . 8 ARG CD . 11344 1 17 . 1 1 8 8 ARG CG C 13 27.003 0.300 . 1 . . . . 8 ARG CG . 11344 1 18 . 1 1 8 8 ARG N N 15 120.771 0.300 . 1 . . . . 8 ARG N . 11344 1 19 . 1 1 9 9 VAL H H 1 8.230 0.030 . 1 . . . . 9 VAL H . 11344 1 20 . 1 1 9 9 VAL HA H 1 4.056 0.030 . 1 . . . . 9 VAL HA . 11344 1 21 . 1 1 9 9 VAL HB H 1 2.018 0.030 . 1 . . . . 9 VAL HB . 11344 1 22 . 1 1 9 9 VAL HG11 H 1 0.921 0.030 . 1 . . . . 9 VAL HG1 . 11344 1 23 . 1 1 9 9 VAL HG12 H 1 0.921 0.030 . 1 . . . . 9 VAL HG1 . 11344 1 24 . 1 1 9 9 VAL HG13 H 1 0.921 0.030 . 1 . . . . 9 VAL HG1 . 11344 1 25 . 1 1 9 9 VAL HG21 H 1 0.901 0.030 . 1 . . . . 9 VAL HG2 . 11344 1 26 . 1 1 9 9 VAL HG22 H 1 0.901 0.030 . 1 . . . . 9 VAL HG2 . 11344 1 27 . 1 1 9 9 VAL HG23 H 1 0.901 0.030 . 1 . . . . 9 VAL HG2 . 11344 1 28 . 1 1 9 9 VAL C C 13 176.025 0.300 . 1 . . . . 9 VAL C . 11344 1 29 . 1 1 9 9 VAL CA C 13 62.405 0.300 . 1 . . . . 9 VAL CA . 11344 1 30 . 1 1 9 9 VAL CB C 13 32.726 0.300 . 1 . . . . 9 VAL CB . 11344 1 31 . 1 1 9 9 VAL CG1 C 13 20.667 0.300 . 2 . . . . 9 VAL CG1 . 11344 1 32 . 1 1 9 9 VAL CG2 C 13 21.178 0.300 . 2 . . . . 9 VAL CG2 . 11344 1 33 . 1 1 9 9 VAL N N 15 122.151 0.300 . 1 . . . . 9 VAL N . 11344 1 34 . 1 1 10 10 LYS H H 1 8.371 0.030 . 1 . . . . 10 LYS H . 11344 1 35 . 1 1 10 10 LYS HA H 1 4.272 0.030 . 1 . . . . 10 LYS HA . 11344 1 36 . 1 1 10 10 LYS HB2 H 1 1.773 0.030 . 2 . . . . 10 LYS HB2 . 11344 1 37 . 1 1 10 10 LYS HB3 H 1 1.716 0.030 . 2 . . . . 10 LYS HB3 . 11344 1 38 . 1 1 10 10 LYS HD2 H 1 1.654 0.030 . 1 . . . . 10 LYS HD2 . 11344 1 39 . 1 1 10 10 LYS HD3 H 1 1.654 0.030 . 1 . . . . 10 LYS HD3 . 11344 1 40 . 1 1 10 10 LYS HE2 H 1 2.958 0.030 . 1 . . . . 10 LYS HE2 . 11344 1 41 . 1 1 10 10 LYS HE3 H 1 2.958 0.030 . 1 . . . . 10 LYS HE3 . 11344 1 42 . 1 1 10 10 LYS HG2 H 1 1.408 0.030 . 2 . . . . 10 LYS HG2 . 11344 1 43 . 1 1 10 10 LYS HG3 H 1 1.375 0.030 . 2 . . . . 10 LYS HG3 . 11344 1 44 . 1 1 10 10 LYS C C 13 176.120 0.300 . 1 . . . . 10 LYS C . 11344 1 45 . 1 1 10 10 LYS CA C 13 56.403 0.300 . 1 . . . . 10 LYS CA . 11344 1 46 . 1 1 10 10 LYS CB C 13 33.145 0.300 . 1 . . . . 10 LYS CB . 11344 1 47 . 1 1 10 10 LYS CD C 13 29.261 0.300 . 1 . . . . 10 LYS CD . 11344 1 48 . 1 1 10 10 LYS CE C 13 42.125 0.300 . 1 . . . . 10 LYS CE . 11344 1 49 . 1 1 10 10 LYS CG C 13 24.721 0.300 . 1 . . . . 10 LYS CG . 11344 1 50 . 1 1 10 10 LYS N N 15 125.714 0.300 . 1 . . . . 10 LYS N . 11344 1 51 . 1 1 11 11 GLN H H 1 8.510 0.030 . 1 . . . . 11 GLN H . 11344 1 52 . 1 1 11 11 GLN HA H 1 4.337 0.030 . 1 . . . . 11 GLN HA . 11344 1 53 . 1 1 11 11 GLN HB2 H 1 2.095 0.030 . 2 . . . . 11 GLN HB2 . 11344 1 54 . 1 1 11 11 GLN HB3 H 1 1.941 0.030 . 2 . . . . 11 GLN HB3 . 11344 1 55 . 1 1 11 11 GLN HE21 H 1 7.548 0.030 . 2 . . . . 11 GLN HE21 . 11344 1 56 . 1 1 11 11 GLN HE22 H 1 6.868 0.030 . 2 . . . . 11 GLN HE22 . 11344 1 57 . 1 1 11 11 GLN HG2 H 1 2.351 0.030 . 1 . . . . 11 GLN HG2 . 11344 1 58 . 1 1 11 11 GLN HG3 H 1 2.351 0.030 . 1 . . . . 11 GLN HG3 . 11344 1 59 . 1 1 11 11 GLN C C 13 176.067 0.300 . 1 . . . . 11 GLN C . 11344 1 60 . 1 1 11 11 GLN CA C 13 55.513 0.300 . 1 . . . . 11 GLN CA . 11344 1 61 . 1 1 11 11 GLN CB C 13 29.738 0.300 . 1 . . . . 11 GLN CB . 11344 1 62 . 1 1 11 11 GLN CG C 13 33.753 0.300 . 1 . . . . 11 GLN CG . 11344 1 63 . 1 1 11 11 GLN N N 15 122.437 0.300 . 1 . . . . 11 GLN N . 11344 1 64 . 1 1 11 11 GLN NE2 N 15 112.744 0.300 . 1 . . . . 11 GLN NE2 . 11344 1 65 . 1 1 12 12 LEU H H 1 8.448 0.030 . 1 . . . . 12 LEU H . 11344 1 66 . 1 1 12 12 LEU HA H 1 4.338 0.030 . 1 . . . . 12 LEU HA . 11344 1 67 . 1 1 12 12 LEU HB2 H 1 1.591 0.030 . 2 . . . . 12 LEU HB2 . 11344 1 68 . 1 1 12 12 LEU HB3 H 1 1.653 0.030 . 2 . . . . 12 LEU HB3 . 11344 1 69 . 1 1 12 12 LEU HD11 H 1 0.890 0.030 . 1 . . . . 12 LEU HD1 . 11344 1 70 . 1 1 12 12 LEU HD12 H 1 0.890 0.030 . 1 . . . . 12 LEU HD1 . 11344 1 71 . 1 1 12 12 LEU HD13 H 1 0.890 0.030 . 1 . . . . 12 LEU HD1 . 11344 1 72 . 1 1 12 12 LEU HD21 H 1 0.837 0.030 . 1 . . . . 12 LEU HD2 . 11344 1 73 . 1 1 12 12 LEU HD22 H 1 0.837 0.030 . 1 . . . . 12 LEU HD2 . 11344 1 74 . 1 1 12 12 LEU HD23 H 1 0.837 0.030 . 1 . . . . 12 LEU HD2 . 11344 1 75 . 1 1 12 12 LEU HG H 1 1.612 0.030 . 1 . . . . 12 LEU HG . 11344 1 76 . 1 1 12 12 LEU C C 13 177.521 0.300 . 1 . . . . 12 LEU C . 11344 1 77 . 1 1 12 12 LEU CA C 13 55.630 0.300 . 1 . . . . 12 LEU CA . 11344 1 78 . 1 1 12 12 LEU CB C 13 42.221 0.300 . 1 . . . . 12 LEU CB . 11344 1 79 . 1 1 12 12 LEU CD1 C 13 25.048 0.300 . 2 . . . . 12 LEU CD1 . 11344 1 80 . 1 1 12 12 LEU CD2 C 13 23.573 0.300 . 2 . . . . 12 LEU CD2 . 11344 1 81 . 1 1 12 12 LEU CG C 13 27.114 0.300 . 1 . . . . 12 LEU CG . 11344 1 82 . 1 1 12 12 LEU N N 15 123.474 0.300 . 1 . . . . 12 LEU N . 11344 1 83 . 1 1 13 13 THR H H 1 8.041 0.030 . 1 . . . . 13 THR H . 11344 1 84 . 1 1 13 13 THR HA H 1 4.357 0.030 . 1 . . . . 13 THR HA . 11344 1 85 . 1 1 13 13 THR HB H 1 4.303 0.030 . 1 . . . . 13 THR HB . 11344 1 86 . 1 1 13 13 THR HG21 H 1 1.155 0.030 . 1 . . . . 13 THR HG2 . 11344 1 87 . 1 1 13 13 THR HG22 H 1 1.155 0.030 . 1 . . . . 13 THR HG2 . 11344 1 88 . 1 1 13 13 THR HG23 H 1 1.155 0.030 . 1 . . . . 13 THR HG2 . 11344 1 89 . 1 1 13 13 THR C C 13 174.439 0.300 . 1 . . . . 13 THR C . 11344 1 90 . 1 1 13 13 THR CA C 13 61.431 0.300 . 1 . . . . 13 THR CA . 11344 1 91 . 1 1 13 13 THR CB C 13 69.918 0.300 . 1 . . . . 13 THR CB . 11344 1 92 . 1 1 13 13 THR CG2 C 13 21.616 0.300 . 1 . . . . 13 THR CG2 . 11344 1 93 . 1 1 13 13 THR N N 15 112.583 0.300 . 1 . . . . 13 THR N . 11344 1 94 . 1 1 14 14 ASP H H 1 8.257 0.030 . 1 . . . . 14 ASP H . 11344 1 95 . 1 1 14 14 ASP HA H 1 4.554 0.030 . 1 . . . . 14 ASP HA . 11344 1 96 . 1 1 14 14 ASP HB2 H 1 2.704 0.030 . 2 . . . . 14 ASP HB2 . 11344 1 97 . 1 1 14 14 ASP HB3 H 1 2.629 0.030 . 2 . . . . 14 ASP HB3 . 11344 1 98 . 1 1 14 14 ASP C C 13 176.145 0.300 . 1 . . . . 14 ASP C . 11344 1 99 . 1 1 14 14 ASP CA C 13 54.896 0.300 . 1 . . . . 14 ASP CA . 11344 1 100 . 1 1 14 14 ASP CB C 13 40.984 0.300 . 1 . . . . 14 ASP CB . 11344 1 101 . 1 1 14 14 ASP N N 15 121.490 0.300 . 1 . . . . 14 ASP N . 11344 1 102 . 1 1 15 15 GLU H H 1 8.211 0.030 . 1 . . . . 15 GLU H . 11344 1 103 . 1 1 15 15 GLU HA H 1 4.254 0.030 . 1 . . . . 15 GLU HA . 11344 1 104 . 1 1 15 15 GLU HB2 H 1 1.853 0.030 . 2 . . . . 15 GLU HB2 . 11344 1 105 . 1 1 15 15 GLU HB3 H 1 2.032 0.030 . 2 . . . . 15 GLU HB3 . 11344 1 106 . 1 1 15 15 GLU HG2 H 1 2.222 0.030 . 1 . . . . 15 GLU HG2 . 11344 1 107 . 1 1 15 15 GLU HG3 H 1 2.222 0.030 . 1 . . . . 15 GLU HG3 . 11344 1 108 . 1 1 15 15 GLU C C 13 176.039 0.300 . 1 . . . . 15 GLU C . 11344 1 109 . 1 1 15 15 GLU CA C 13 56.422 0.300 . 1 . . . . 15 GLU CA . 11344 1 110 . 1 1 15 15 GLU CB C 13 30.497 0.300 . 1 . . . . 15 GLU CB . 11344 1 111 . 1 1 15 15 GLU CG C 13 36.339 0.300 . 1 . . . . 15 GLU CG . 11344 1 112 . 1 1 15 15 GLU N N 15 119.622 0.300 . 1 . . . . 15 GLU N . 11344 1 113 . 1 1 16 16 GLU H H 1 8.329 0.030 . 1 . . . . 16 GLU H . 11344 1 114 . 1 1 16 16 GLU HA H 1 4.256 0.030 . 1 . . . . 16 GLU HA . 11344 1 115 . 1 1 16 16 GLU HB2 H 1 1.978 0.030 . 2 . . . . 16 GLU HB2 . 11344 1 116 . 1 1 16 16 GLU HB3 H 1 1.842 0.030 . 2 . . . . 16 GLU HB3 . 11344 1 117 . 1 1 16 16 GLU HG2 H 1 2.226 0.030 . 1 . . . . 16 GLU HG2 . 11344 1 118 . 1 1 16 16 GLU HG3 H 1 2.226 0.030 . 1 . . . . 16 GLU HG3 . 11344 1 119 . 1 1 16 16 GLU C C 13 175.696 0.300 . 1 . . . . 16 GLU C . 11344 1 120 . 1 1 16 16 GLU CA C 13 56.380 0.300 . 1 . . . . 16 GLU CA . 11344 1 121 . 1 1 16 16 GLU CB C 13 30.685 0.300 . 1 . . . . 16 GLU CB . 11344 1 122 . 1 1 16 16 GLU CG C 13 36.256 0.300 . 1 . . . . 16 GLU CG . 11344 1 123 . 1 1 16 16 GLU N N 15 121.198 0.300 . 1 . . . . 16 GLU N . 11344 1 124 . 1 1 17 17 GLU H H 1 8.284 0.030 . 1 . . . . 17 GLU H . 11344 1 125 . 1 1 17 17 GLU HA H 1 4.515 0.030 . 1 . . . . 17 GLU HA . 11344 1 126 . 1 1 17 17 GLU HB2 H 1 1.887 0.030 . 2 . . . . 17 GLU HB2 . 11344 1 127 . 1 1 17 17 GLU HB3 H 1 1.835 0.030 . 2 . . . . 17 GLU HB3 . 11344 1 128 . 1 1 17 17 GLU HG2 H 1 2.110 0.030 . 1 . . . . 17 GLU HG2 . 11344 1 129 . 1 1 17 17 GLU HG3 H 1 2.110 0.030 . 1 . . . . 17 GLU HG3 . 11344 1 130 . 1 1 17 17 GLU C C 13 175.298 0.300 . 1 . . . . 17 GLU C . 11344 1 131 . 1 1 17 17 GLU CA C 13 55.098 0.300 . 1 . . . . 17 GLU CA . 11344 1 132 . 1 1 17 17 GLU CB C 13 32.373 0.300 . 1 . . . . 17 GLU CB . 11344 1 133 . 1 1 17 17 GLU CG C 13 36.118 0.300 . 1 . . . . 17 GLU CG . 11344 1 134 . 1 1 17 17 GLU N N 15 122.026 0.300 . 1 . . . . 17 GLU N . 11344 1 135 . 1 1 18 18 CYS H H 1 8.103 0.030 . 1 . . . . 18 CYS H . 11344 1 136 . 1 1 18 18 CYS HA H 1 3.856 0.030 . 1 . . . . 18 CYS HA . 11344 1 137 . 1 1 18 18 CYS HB2 H 1 2.577 0.030 . 2 . . . . 18 CYS HB2 . 11344 1 138 . 1 1 18 18 CYS HB3 H 1 3.243 0.030 . 2 . . . . 18 CYS HB3 . 11344 1 139 . 1 1 18 18 CYS C C 13 176.910 0.300 . 1 . . . . 18 CYS C . 11344 1 140 . 1 1 18 18 CYS CA C 13 59.830 0.300 . 1 . . . . 18 CYS CA . 11344 1 141 . 1 1 18 18 CYS CB C 13 31.188 0.300 . 1 . . . . 18 CYS CB . 11344 1 142 . 1 1 18 18 CYS N N 15 123.468 0.300 . 1 . . . . 18 CYS N . 11344 1 143 . 1 1 19 19 CYS H H 1 8.624 0.030 . 1 . . . . 19 CYS H . 11344 1 144 . 1 1 19 19 CYS HA H 1 4.455 0.030 . 1 . . . . 19 CYS HA . 11344 1 145 . 1 1 19 19 CYS HB2 H 1 3.127 0.030 . 2 . . . . 19 CYS HB2 . 11344 1 146 . 1 1 19 19 CYS HB3 H 1 2.744 0.030 . 2 . . . . 19 CYS HB3 . 11344 1 147 . 1 1 19 19 CYS C C 13 174.592 0.300 . 1 . . . . 19 CYS C . 11344 1 148 . 1 1 19 19 CYS CA C 13 60.881 0.300 . 1 . . . . 19 CYS CA . 11344 1 149 . 1 1 19 19 CYS CB C 13 28.068 0.300 . 1 . . . . 19 CYS CB . 11344 1 150 . 1 1 19 19 CYS N N 15 125.761 0.300 . 1 . . . . 19 CYS N . 11344 1 151 . 1 1 20 20 ILE H H 1 8.999 0.030 . 1 . . . . 20 ILE H . 11344 1 152 . 1 1 20 20 ILE HA H 1 4.203 0.030 . 1 . . . . 20 ILE HA . 11344 1 153 . 1 1 20 20 ILE HB H 1 2.496 0.030 . 1 . . . . 20 ILE HB . 11344 1 154 . 1 1 20 20 ILE HD11 H 1 0.807 0.030 . 1 . . . . 20 ILE HD1 . 11344 1 155 . 1 1 20 20 ILE HD12 H 1 0.807 0.030 . 1 . . . . 20 ILE HD1 . 11344 1 156 . 1 1 20 20 ILE HD13 H 1 0.807 0.030 . 1 . . . . 20 ILE HD1 . 11344 1 157 . 1 1 20 20 ILE HG12 H 1 1.879 0.030 . 2 . . . . 20 ILE HG12 . 11344 1 158 . 1 1 20 20 ILE HG13 H 1 1.174 0.030 . 2 . . . . 20 ILE HG13 . 11344 1 159 . 1 1 20 20 ILE HG21 H 1 0.813 0.030 . 1 . . . . 20 ILE HG2 . 11344 1 160 . 1 1 20 20 ILE HG22 H 1 0.813 0.030 . 1 . . . . 20 ILE HG2 . 11344 1 161 . 1 1 20 20 ILE HG23 H 1 0.813 0.030 . 1 . . . . 20 ILE HG2 . 11344 1 162 . 1 1 20 20 ILE C C 13 176.581 0.300 . 1 . . . . 20 ILE C . 11344 1 163 . 1 1 20 20 ILE CA C 13 63.753 0.300 . 1 . . . . 20 ILE CA . 11344 1 164 . 1 1 20 20 ILE CB C 13 37.856 0.300 . 1 . . . . 20 ILE CB . 11344 1 165 . 1 1 20 20 ILE CD1 C 13 13.225 0.300 . 1 . . . . 20 ILE CD1 . 11344 1 166 . 1 1 20 20 ILE CG1 C 13 28.247 0.300 . 1 . . . . 20 ILE CG1 . 11344 1 167 . 1 1 20 20 ILE CG2 C 13 17.626 0.300 . 1 . . . . 20 ILE CG2 . 11344 1 168 . 1 1 20 20 ILE N N 15 123.463 0.300 . 1 . . . . 20 ILE N . 11344 1 169 . 1 1 21 21 CYS H H 1 8.180 0.030 . 1 . . . . 21 CYS H . 11344 1 170 . 1 1 21 21 CYS HA H 1 4.604 0.030 . 1 . . . . 21 CYS HA . 11344 1 171 . 1 1 21 21 CYS HB2 H 1 3.204 0.030 . 2 . . . . 21 CYS HB2 . 11344 1 172 . 1 1 21 21 CYS HB3 H 1 2.746 0.030 . 2 . . . . 21 CYS HB3 . 11344 1 173 . 1 1 21 21 CYS C C 13 176.198 0.300 . 1 . . . . 21 CYS C . 11344 1 174 . 1 1 21 21 CYS CA C 13 59.602 0.300 . 1 . . . . 21 CYS CA . 11344 1 175 . 1 1 21 21 CYS CB C 13 31.435 0.300 . 1 . . . . 21 CYS CB . 11344 1 176 . 1 1 21 21 CYS N N 15 118.852 0.300 . 1 . . . . 21 CYS N . 11344 1 177 . 1 1 22 22 MET H H 1 7.660 0.030 . 1 . . . . 22 MET H . 11344 1 178 . 1 1 22 22 MET HA H 1 4.260 0.030 . 1 . . . . 22 MET HA . 11344 1 179 . 1 1 22 22 MET HB2 H 1 2.165 0.030 . 2 . . . . 22 MET HB2 . 11344 1 180 . 1 1 22 22 MET HB3 H 1 2.205 0.030 . 2 . . . . 22 MET HB3 . 11344 1 181 . 1 1 22 22 MET HE1 H 1 2.001 0.030 . 1 . . . . 22 MET HE . 11344 1 182 . 1 1 22 22 MET HE2 H 1 2.001 0.030 . 1 . . . . 22 MET HE . 11344 1 183 . 1 1 22 22 MET HE3 H 1 2.001 0.030 . 1 . . . . 22 MET HE . 11344 1 184 . 1 1 22 22 MET HG2 H 1 2.423 0.030 . 2 . . . . 22 MET HG2 . 11344 1 185 . 1 1 22 22 MET HG3 H 1 2.386 0.030 . 2 . . . . 22 MET HG3 . 11344 1 186 . 1 1 22 22 MET C C 13 175.858 0.300 . 1 . . . . 22 MET C . 11344 1 187 . 1 1 22 22 MET CA C 13 57.727 0.300 . 1 . . . . 22 MET CA . 11344 1 188 . 1 1 22 22 MET CB C 13 30.267 0.300 . 1 . . . . 22 MET CB . 11344 1 189 . 1 1 22 22 MET CE C 13 17.132 0.300 . 1 . . . . 22 MET CE . 11344 1 190 . 1 1 22 22 MET CG C 13 32.748 0.300 . 1 . . . . 22 MET CG . 11344 1 191 . 1 1 22 22 MET N N 15 117.591 0.300 . 1 . . . . 22 MET N . 11344 1 192 . 1 1 23 23 ASP H H 1 8.553 0.030 . 1 . . . . 23 ASP H . 11344 1 193 . 1 1 23 23 ASP HA H 1 4.825 0.030 . 1 . . . . 23 ASP HA . 11344 1 194 . 1 1 23 23 ASP HB2 H 1 2.665 0.030 . 2 . . . . 23 ASP HB2 . 11344 1 195 . 1 1 23 23 ASP HB3 H 1 2.568 0.030 . 2 . . . . 23 ASP HB3 . 11344 1 196 . 1 1 23 23 ASP C C 13 176.134 0.300 . 1 . . . . 23 ASP C . 11344 1 197 . 1 1 23 23 ASP CA C 13 54.197 0.300 . 1 . . . . 23 ASP CA . 11344 1 198 . 1 1 23 23 ASP CB C 13 42.049 0.300 . 1 . . . . 23 ASP CB . 11344 1 199 . 1 1 23 23 ASP N N 15 119.465 0.300 . 1 . . . . 23 ASP N . 11344 1 200 . 1 1 24 24 GLY H H 1 7.958 0.030 . 1 . . . . 24 GLY H . 11344 1 201 . 1 1 24 24 GLY HA2 H 1 3.821 0.030 . 2 . . . . 24 GLY HA2 . 11344 1 202 . 1 1 24 24 GLY HA3 H 1 4.071 0.030 . 2 . . . . 24 GLY HA3 . 11344 1 203 . 1 1 24 24 GLY C C 13 172.442 0.300 . 1 . . . . 24 GLY C . 11344 1 204 . 1 1 24 24 GLY CA C 13 45.092 0.300 . 1 . . . . 24 GLY CA . 11344 1 205 . 1 1 24 24 GLY N N 15 109.132 0.300 . 1 . . . . 24 GLY N . 11344 1 206 . 1 1 25 25 ARG H H 1 8.339 0.030 . 1 . . . . 25 ARG H . 11344 1 207 . 1 1 25 25 ARG HA H 1 4.321 0.030 . 1 . . . . 25 ARG HA . 11344 1 208 . 1 1 25 25 ARG HB2 H 1 1.746 0.030 . 1 . . . . 25 ARG HB2 . 11344 1 209 . 1 1 25 25 ARG HB3 H 1 1.746 0.030 . 1 . . . . 25 ARG HB3 . 11344 1 210 . 1 1 25 25 ARG HD2 H 1 3.172 0.030 . 1 . . . . 25 ARG HD2 . 11344 1 211 . 1 1 25 25 ARG HD3 H 1 3.172 0.030 . 1 . . . . 25 ARG HD3 . 11344 1 212 . 1 1 25 25 ARG HG2 H 1 1.627 0.030 . 1 . . . . 25 ARG HG2 . 11344 1 213 . 1 1 25 25 ARG HG3 H 1 1.627 0.030 . 1 . . . . 25 ARG HG3 . 11344 1 214 . 1 1 25 25 ARG C C 13 175.518 0.300 . 1 . . . . 25 ARG C . 11344 1 215 . 1 1 25 25 ARG CA C 13 55.426 0.300 . 1 . . . . 25 ARG CA . 11344 1 216 . 1 1 25 25 ARG CB C 13 30.836 0.300 . 1 . . . . 25 ARG CB . 11344 1 217 . 1 1 25 25 ARG CD C 13 43.200 0.300 . 1 . . . . 25 ARG CD . 11344 1 218 . 1 1 25 25 ARG CG C 13 26.674 0.300 . 1 . . . . 25 ARG CG . 11344 1 219 . 1 1 25 25 ARG N N 15 121.454 0.300 . 1 . . . . 25 ARG N . 11344 1 220 . 1 1 26 26 ALA H H 1 8.295 0.030 . 1 . . . . 26 ALA H . 11344 1 221 . 1 1 26 26 ALA HA H 1 3.734 0.030 . 1 . . . . 26 ALA HA . 11344 1 222 . 1 1 26 26 ALA HB1 H 1 0.993 0.030 . 1 . . . . 26 ALA HB . 11344 1 223 . 1 1 26 26 ALA HB2 H 1 0.993 0.030 . 1 . . . . 26 ALA HB . 11344 1 224 . 1 1 26 26 ALA HB3 H 1 0.993 0.030 . 1 . . . . 26 ALA HB . 11344 1 225 . 1 1 26 26 ALA C C 13 175.983 0.300 . 1 . . . . 26 ALA C . 11344 1 226 . 1 1 26 26 ALA CA C 13 51.881 0.300 . 1 . . . . 26 ALA CA . 11344 1 227 . 1 1 26 26 ALA CB C 13 18.984 0.300 . 1 . . . . 26 ALA CB . 11344 1 228 . 1 1 26 26 ALA N N 15 123.314 0.300 . 1 . . . . 26 ALA N . 11344 1 229 . 1 1 27 27 ASP H H 1 8.556 0.030 . 1 . . . . 27 ASP H . 11344 1 230 . 1 1 27 27 ASP HA H 1 4.768 0.030 . 1 . . . . 27 ASP HA . 11344 1 231 . 1 1 27 27 ASP HB2 H 1 2.401 0.030 . 2 . . . . 27 ASP HB2 . 11344 1 232 . 1 1 27 27 ASP HB3 H 1 2.804 0.030 . 2 . . . . 27 ASP HB3 . 11344 1 233 . 1 1 27 27 ASP C C 13 175.208 0.300 . 1 . . . . 27 ASP C . 11344 1 234 . 1 1 27 27 ASP CA C 13 55.464 0.300 . 1 . . . . 27 ASP CA . 11344 1 235 . 1 1 27 27 ASP CB C 13 43.825 0.300 . 1 . . . . 27 ASP CB . 11344 1 236 . 1 1 27 27 ASP N N 15 122.006 0.300 . 1 . . . . 27 ASP N . 11344 1 237 . 1 1 28 28 LEU H H 1 8.311 0.030 . 1 . . . . 28 LEU H . 11344 1 238 . 1 1 28 28 LEU HA H 1 4.711 0.030 . 1 . . . . 28 LEU HA . 11344 1 239 . 1 1 28 28 LEU HB2 H 1 1.536 0.030 . 2 . . . . 28 LEU HB2 . 11344 1 240 . 1 1 28 28 LEU HB3 H 1 1.768 0.030 . 2 . . . . 28 LEU HB3 . 11344 1 241 . 1 1 28 28 LEU HD11 H 1 0.959 0.030 . 1 . . . . 28 LEU HD1 . 11344 1 242 . 1 1 28 28 LEU HD12 H 1 0.959 0.030 . 1 . . . . 28 LEU HD1 . 11344 1 243 . 1 1 28 28 LEU HD13 H 1 0.959 0.030 . 1 . . . . 28 LEU HD1 . 11344 1 244 . 1 1 28 28 LEU HD21 H 1 0.920 0.030 . 1 . . . . 28 LEU HD2 . 11344 1 245 . 1 1 28 28 LEU HD22 H 1 0.920 0.030 . 1 . . . . 28 LEU HD2 . 11344 1 246 . 1 1 28 28 LEU HD23 H 1 0.920 0.030 . 1 . . . . 28 LEU HD2 . 11344 1 247 . 1 1 28 28 LEU HG H 1 1.582 0.030 . 1 . . . . 28 LEU HG . 11344 1 248 . 1 1 28 28 LEU C C 13 174.101 0.300 . 1 . . . . 28 LEU C . 11344 1 249 . 1 1 28 28 LEU CA C 13 54.722 0.300 . 1 . . . . 28 LEU CA . 11344 1 250 . 1 1 28 28 LEU CB C 13 45.059 0.300 . 1 . . . . 28 LEU CB . 11344 1 251 . 1 1 28 28 LEU CD1 C 13 24.474 0.300 . 2 . . . . 28 LEU CD1 . 11344 1 252 . 1 1 28 28 LEU CD2 C 13 26.148 0.300 . 2 . . . . 28 LEU CD2 . 11344 1 253 . 1 1 28 28 LEU CG C 13 27.545 0.300 . 1 . . . . 28 LEU CG . 11344 1 254 . 1 1 28 28 LEU N N 15 120.919 0.300 . 1 . . . . 28 LEU N . 11344 1 255 . 1 1 29 29 ILE H H 1 8.623 0.030 . 1 . . . . 29 ILE H . 11344 1 256 . 1 1 29 29 ILE HA H 1 4.598 0.030 . 1 . . . . 29 ILE HA . 11344 1 257 . 1 1 29 29 ILE HB H 1 1.672 0.030 . 1 . . . . 29 ILE HB . 11344 1 258 . 1 1 29 29 ILE HD11 H 1 0.756 0.030 . 1 . . . . 29 ILE HD1 . 11344 1 259 . 1 1 29 29 ILE HD12 H 1 0.756 0.030 . 1 . . . . 29 ILE HD1 . 11344 1 260 . 1 1 29 29 ILE HD13 H 1 0.756 0.030 . 1 . . . . 29 ILE HD1 . 11344 1 261 . 1 1 29 29 ILE HG12 H 1 1.004 0.030 . 2 . . . . 29 ILE HG12 . 11344 1 262 . 1 1 29 29 ILE HG13 H 1 1.360 0.030 . 2 . . . . 29 ILE HG13 . 11344 1 263 . 1 1 29 29 ILE HG21 H 1 0.810 0.030 . 1 . . . . 29 ILE HG2 . 11344 1 264 . 1 1 29 29 ILE HG22 H 1 0.810 0.030 . 1 . . . . 29 ILE HG2 . 11344 1 265 . 1 1 29 29 ILE HG23 H 1 0.810 0.030 . 1 . . . . 29 ILE HG2 . 11344 1 266 . 1 1 29 29 ILE C C 13 176.269 0.300 . 1 . . . . 29 ILE C . 11344 1 267 . 1 1 29 29 ILE CA C 13 60.728 0.300 . 1 . . . . 29 ILE CA . 11344 1 268 . 1 1 29 29 ILE CB C 13 39.784 0.300 . 1 . . . . 29 ILE CB . 11344 1 269 . 1 1 29 29 ILE CD1 C 13 13.836 0.300 . 1 . . . . 29 ILE CD1 . 11344 1 270 . 1 1 29 29 ILE CG1 C 13 27.466 0.300 . 1 . . . . 29 ILE CG1 . 11344 1 271 . 1 1 29 29 ILE CG2 C 13 16.988 0.300 . 1 . . . . 29 ILE CG2 . 11344 1 272 . 1 1 29 29 ILE N N 15 125.047 0.300 . 1 . . . . 29 ILE N . 11344 1 273 . 1 1 30 30 LEU H H 1 8.438 0.030 . 1 . . . . 30 LEU H . 11344 1 274 . 1 1 30 30 LEU HA H 1 4.872 0.030 . 1 . . . . 30 LEU HA . 11344 1 275 . 1 1 30 30 LEU HB2 H 1 2.024 0.030 . 2 . . . . 30 LEU HB2 . 11344 1 276 . 1 1 30 30 LEU HB3 H 1 2.554 0.030 . 2 . . . . 30 LEU HB3 . 11344 1 277 . 1 1 30 30 LEU HD11 H 1 1.172 0.030 . 1 . . . . 30 LEU HD1 . 11344 1 278 . 1 1 30 30 LEU HD12 H 1 1.172 0.030 . 1 . . . . 30 LEU HD1 . 11344 1 279 . 1 1 30 30 LEU HD13 H 1 1.172 0.030 . 1 . . . . 30 LEU HD1 . 11344 1 280 . 1 1 30 30 LEU HD21 H 1 1.065 0.030 . 1 . . . . 30 LEU HD2 . 11344 1 281 . 1 1 30 30 LEU HD22 H 1 1.065 0.030 . 1 . . . . 30 LEU HD2 . 11344 1 282 . 1 1 30 30 LEU HD23 H 1 1.065 0.030 . 1 . . . . 30 LEU HD2 . 11344 1 283 . 1 1 30 30 LEU HG H 1 2.001 0.030 . 1 . . . . 30 LEU HG . 11344 1 284 . 1 1 30 30 LEU C C 13 177.800 0.300 . 1 . . . . 30 LEU C . 11344 1 285 . 1 1 30 30 LEU CA C 13 54.211 0.300 . 1 . . . . 30 LEU CA . 11344 1 286 . 1 1 30 30 LEU CB C 13 42.311 0.300 . 1 . . . . 30 LEU CB . 11344 1 287 . 1 1 30 30 LEU CD1 C 13 25.844 0.300 . 2 . . . . 30 LEU CD1 . 11344 1 288 . 1 1 30 30 LEU CD2 C 13 22.703 0.300 . 2 . . . . 30 LEU CD2 . 11344 1 289 . 1 1 30 30 LEU CG C 13 28.235 0.300 . 1 . . . . 30 LEU CG . 11344 1 290 . 1 1 30 30 LEU N N 15 127.507 0.300 . 1 . . . . 30 LEU N . 11344 1 291 . 1 1 31 31 PRO HA H 1 4.366 0.030 . 1 . . . . 31 PRO HA . 11344 1 292 . 1 1 31 31 PRO HB2 H 1 2.003 0.030 . 2 . . . . 31 PRO HB2 . 11344 1 293 . 1 1 31 31 PRO HB3 H 1 2.460 0.030 . 2 . . . . 31 PRO HB3 . 11344 1 294 . 1 1 31 31 PRO HD2 H 1 3.981 0.030 . 2 . . . . 31 PRO HD2 . 11344 1 295 . 1 1 31 31 PRO HD3 H 1 3.946 0.030 . 2 . . . . 31 PRO HD3 . 11344 1 296 . 1 1 31 31 PRO HG2 H 1 2.204 0.030 . 2 . . . . 31 PRO HG2 . 11344 1 297 . 1 1 31 31 PRO HG3 H 1 2.090 0.030 . 2 . . . . 31 PRO HG3 . 11344 1 298 . 1 1 31 31 PRO C C 13 176.121 0.300 . 1 . . . . 31 PRO C . 11344 1 299 . 1 1 31 31 PRO CA C 13 65.702 0.300 . 1 . . . . 31 PRO CA . 11344 1 300 . 1 1 31 31 PRO CB C 13 31.724 0.300 . 1 . . . . 31 PRO CB . 11344 1 301 . 1 1 31 31 PRO CD C 13 51.255 0.300 . 1 . . . . 31 PRO CD . 11344 1 302 . 1 1 31 31 PRO CG C 13 27.981 0.300 . 1 . . . . 31 PRO CG . 11344 1 303 . 1 1 32 32 CYS H H 1 7.445 0.030 . 1 . . . . 32 CYS H . 11344 1 304 . 1 1 32 32 CYS HA H 1 4.384 0.030 . 1 . . . . 32 CYS HA . 11344 1 305 . 1 1 32 32 CYS HB2 H 1 2.961 0.030 . 2 . . . . 32 CYS HB2 . 11344 1 306 . 1 1 32 32 CYS HB3 H 1 2.804 0.030 . 2 . . . . 32 CYS HB3 . 11344 1 307 . 1 1 32 32 CYS C C 13 174.848 0.300 . 1 . . . . 32 CYS C . 11344 1 308 . 1 1 32 32 CYS CA C 13 57.725 0.300 . 1 . . . . 32 CYS CA . 11344 1 309 . 1 1 32 32 CYS CB C 13 31.435 0.300 . 1 . . . . 32 CYS CB . 11344 1 310 . 1 1 32 32 CYS N N 15 113.710 0.300 . 1 . . . . 32 CYS N . 11344 1 311 . 1 1 33 33 ALA H H 1 8.355 0.030 . 1 . . . . 33 ALA H . 11344 1 312 . 1 1 33 33 ALA HA H 1 3.778 0.030 . 1 . . . . 33 ALA HA . 11344 1 313 . 1 1 33 33 ALA HB1 H 1 1.457 0.030 . 1 . . . . 33 ALA HB . 11344 1 314 . 1 1 33 33 ALA HB2 H 1 1.457 0.030 . 1 . . . . 33 ALA HB . 11344 1 315 . 1 1 33 33 ALA HB3 H 1 1.457 0.030 . 1 . . . . 33 ALA HB . 11344 1 316 . 1 1 33 33 ALA C C 13 176.758 0.300 . 1 . . . . 33 ALA C . 11344 1 317 . 1 1 33 33 ALA CA C 13 54.514 0.300 . 1 . . . . 33 ALA CA . 11344 1 318 . 1 1 33 33 ALA CB C 13 16.574 0.300 . 1 . . . . 33 ALA CB . 11344 1 319 . 1 1 33 33 ALA N N 15 118.598 0.300 . 1 . . . . 33 ALA N . 11344 1 320 . 1 1 34 34 HIS H H 1 8.066 0.030 . 1 . . . . 34 HIS H . 11344 1 321 . 1 1 34 34 HIS HA H 1 4.557 0.030 . 1 . . . . 34 HIS HA . 11344 1 322 . 1 1 34 34 HIS HB2 H 1 3.498 0.030 . 2 . . . . 34 HIS HB2 . 11344 1 323 . 1 1 34 34 HIS HB3 H 1 2.953 0.030 . 2 . . . . 34 HIS HB3 . 11344 1 324 . 1 1 34 34 HIS HD2 H 1 7.274 0.030 . 1 . . . . 34 HIS HD2 . 11344 1 325 . 1 1 34 34 HIS HE1 H 1 7.914 0.030 . 1 . . . . 34 HIS HE1 . 11344 1 326 . 1 1 34 34 HIS C C 13 173.330 0.300 . 1 . . . . 34 HIS C . 11344 1 327 . 1 1 34 34 HIS CA C 13 59.963 0.300 . 1 . . . . 34 HIS CA . 11344 1 328 . 1 1 34 34 HIS CB C 13 31.432 0.300 . 1 . . . . 34 HIS CB . 11344 1 329 . 1 1 34 34 HIS CD2 C 13 118.618 0.300 . 1 . . . . 34 HIS CD2 . 11344 1 330 . 1 1 34 34 HIS CE1 C 13 138.211 0.300 . 1 . . . . 34 HIS CE1 . 11344 1 331 . 1 1 34 34 HIS N N 15 120.875 0.300 . 1 . . . . 34 HIS N . 11344 1 332 . 1 1 35 35 SER H H 1 7.581 0.030 . 1 . . . . 35 SER H . 11344 1 333 . 1 1 35 35 SER HA H 1 5.409 0.030 . 1 . . . . 35 SER HA . 11344 1 334 . 1 1 35 35 SER HB2 H 1 3.579 0.030 . 2 . . . . 35 SER HB2 . 11344 1 335 . 1 1 35 35 SER HB3 H 1 3.481 0.030 . 2 . . . . 35 SER HB3 . 11344 1 336 . 1 1 35 35 SER C C 13 172.919 0.300 . 1 . . . . 35 SER C . 11344 1 337 . 1 1 35 35 SER CA C 13 56.420 0.300 . 1 . . . . 35 SER CA . 11344 1 338 . 1 1 35 35 SER CB C 13 65.632 0.300 . 1 . . . . 35 SER CB . 11344 1 339 . 1 1 35 35 SER N N 15 116.877 0.300 . 1 . . . . 35 SER N . 11344 1 340 . 1 1 36 36 PHE H H 1 8.924 0.030 . 1 . . . . 36 PHE H . 11344 1 341 . 1 1 36 36 PHE HA H 1 6.180 0.030 . 1 . . . . 36 PHE HA . 11344 1 342 . 1 1 36 36 PHE HB2 H 1 2.516 0.030 . 2 . . . . 36 PHE HB2 . 11344 1 343 . 1 1 36 36 PHE HB3 H 1 3.400 0.030 . 2 . . . . 36 PHE HB3 . 11344 1 344 . 1 1 36 36 PHE HD1 H 1 7.132 0.030 . 1 . . . . 36 PHE HD1 . 11344 1 345 . 1 1 36 36 PHE HD2 H 1 7.132 0.030 . 1 . . . . 36 PHE HD2 . 11344 1 346 . 1 1 36 36 PHE HE1 H 1 7.223 0.030 . 1 . . . . 36 PHE HE1 . 11344 1 347 . 1 1 36 36 PHE HE2 H 1 7.223 0.030 . 1 . . . . 36 PHE HE2 . 11344 1 348 . 1 1 36 36 PHE HZ H 1 7.516 0.030 . 1 . . . . 36 PHE HZ . 11344 1 349 . 1 1 36 36 PHE C C 13 176.046 0.300 . 1 . . . . 36 PHE C . 11344 1 350 . 1 1 36 36 PHE CA C 13 56.485 0.300 . 1 . . . . 36 PHE CA . 11344 1 351 . 1 1 36 36 PHE CB C 13 45.982 0.300 . 1 . . . . 36 PHE CB . 11344 1 352 . 1 1 36 36 PHE CD1 C 13 132.152 0.300 . 1 . . . . 36 PHE CD1 . 11344 1 353 . 1 1 36 36 PHE CD2 C 13 132.152 0.300 . 1 . . . . 36 PHE CD2 . 11344 1 354 . 1 1 36 36 PHE CE1 C 13 131.279 0.300 . 1 . . . . 36 PHE CE1 . 11344 1 355 . 1 1 36 36 PHE CE2 C 13 131.279 0.300 . 1 . . . . 36 PHE CE2 . 11344 1 356 . 1 1 36 36 PHE CZ C 13 130.396 0.300 . 1 . . . . 36 PHE CZ . 11344 1 357 . 1 1 36 36 PHE N N 15 118.427 0.300 . 1 . . . . 36 PHE N . 11344 1 358 . 1 1 37 37 CYS H H 1 10.096 0.030 . 1 . . . . 37 CYS H . 11344 1 359 . 1 1 37 37 CYS HA H 1 5.220 0.030 . 1 . . . . 37 CYS HA . 11344 1 360 . 1 1 37 37 CYS HB2 H 1 2.970 0.030 . 2 . . . . 37 CYS HB2 . 11344 1 361 . 1 1 37 37 CYS HB3 H 1 3.532 0.030 . 2 . . . . 37 CYS HB3 . 11344 1 362 . 1 1 37 37 CYS C C 13 175.498 0.300 . 1 . . . . 37 CYS C . 11344 1 363 . 1 1 37 37 CYS CA C 13 57.795 0.300 . 1 . . . . 37 CYS CA . 11344 1 364 . 1 1 37 37 CYS CB C 13 32.377 0.300 . 1 . . . . 37 CYS CB . 11344 1 365 . 1 1 37 37 CYS N N 15 123.291 0.300 . 1 . . . . 37 CYS N . 11344 1 366 . 1 1 38 38 GLN H H 1 9.811 0.030 . 1 . . . . 38 GLN H . 11344 1 367 . 1 1 38 38 GLN HA H 1 3.774 0.030 . 1 . . . . 38 GLN HA . 11344 1 368 . 1 1 38 38 GLN HB2 H 1 2.159 0.030 . 2 . . . . 38 GLN HB2 . 11344 1 369 . 1 1 38 38 GLN HB3 H 1 1.970 0.030 . 2 . . . . 38 GLN HB3 . 11344 1 370 . 1 1 38 38 GLN HE21 H 1 6.475 0.030 . 2 . . . . 38 GLN HE21 . 11344 1 371 . 1 1 38 38 GLN HE22 H 1 7.890 0.030 . 2 . . . . 38 GLN HE22 . 11344 1 372 . 1 1 38 38 GLN HG2 H 1 2.321 0.030 . 2 . . . . 38 GLN HG2 . 11344 1 373 . 1 1 38 38 GLN HG3 H 1 2.372 0.030 . 2 . . . . 38 GLN HG3 . 11344 1 374 . 1 1 38 38 GLN C C 13 177.200 0.300 . 1 . . . . 38 GLN C . 11344 1 375 . 1 1 38 38 GLN CA C 13 58.230 0.300 . 1 . . . . 38 GLN CA . 11344 1 376 . 1 1 38 38 GLN CB C 13 29.073 0.300 . 1 . . . . 38 GLN CB . 11344 1 377 . 1 1 38 38 GLN CG C 13 33.416 0.300 . 1 . . . . 38 GLN CG . 11344 1 378 . 1 1 38 38 GLN N N 15 121.560 0.300 . 1 . . . . 38 GLN N . 11344 1 379 . 1 1 38 38 GLN NE2 N 15 114.840 0.300 . 1 . . . . 38 GLN NE2 . 11344 1 380 . 1 1 39 39 LYS H H 1 7.987 0.030 . 1 . . . . 39 LYS H . 11344 1 381 . 1 1 39 39 LYS HA H 1 4.087 0.030 . 1 . . . . 39 LYS HA . 11344 1 382 . 1 1 39 39 LYS HB2 H 1 2.077 0.030 . 2 . . . . 39 LYS HB2 . 11344 1 383 . 1 1 39 39 LYS HB3 H 1 2.013 0.030 . 2 . . . . 39 LYS HB3 . 11344 1 384 . 1 1 39 39 LYS HD2 H 1 1.741 0.030 . 1 . . . . 39 LYS HD2 . 11344 1 385 . 1 1 39 39 LYS HD3 H 1 1.741 0.030 . 1 . . . . 39 LYS HD3 . 11344 1 386 . 1 1 39 39 LYS HE2 H 1 3.042 0.030 . 1 . . . . 39 LYS HE2 . 11344 1 387 . 1 1 39 39 LYS HE3 H 1 3.042 0.030 . 1 . . . . 39 LYS HE3 . 11344 1 388 . 1 1 39 39 LYS HG2 H 1 1.611 0.030 . 2 . . . . 39 LYS HG2 . 11344 1 389 . 1 1 39 39 LYS HG3 H 1 1.454 0.030 . 2 . . . . 39 LYS HG3 . 11344 1 390 . 1 1 39 39 LYS C C 13 180.211 0.300 . 1 . . . . 39 LYS C . 11344 1 391 . 1 1 39 39 LYS CA C 13 59.869 0.300 . 1 . . . . 39 LYS CA . 11344 1 392 . 1 1 39 39 LYS CB C 13 32.238 0.300 . 1 . . . . 39 LYS CB . 11344 1 393 . 1 1 39 39 LYS CD C 13 29.305 0.300 . 1 . . . . 39 LYS CD . 11344 1 394 . 1 1 39 39 LYS CE C 13 42.126 0.300 . 1 . . . . 39 LYS CE . 11344 1 395 . 1 1 39 39 LYS CG C 13 25.223 0.300 . 1 . . . . 39 LYS CG . 11344 1 396 . 1 1 39 39 LYS N N 15 118.210 0.300 . 1 . . . . 39 LYS N . 11344 1 397 . 1 1 40 40 CYS H H 1 8.928 0.030 . 1 . . . . 40 CYS H . 11344 1 398 . 1 1 40 40 CYS HA H 1 4.106 0.030 . 1 . . . . 40 CYS HA . 11344 1 399 . 1 1 40 40 CYS HB2 H 1 3.058 0.030 . 2 . . . . 40 CYS HB2 . 11344 1 400 . 1 1 40 40 CYS HB3 H 1 3.272 0.030 . 2 . . . . 40 CYS HB3 . 11344 1 401 . 1 1 40 40 CYS C C 13 178.711 0.300 . 1 . . . . 40 CYS C . 11344 1 402 . 1 1 40 40 CYS CA C 13 66.054 0.300 . 1 . . . . 40 CYS CA . 11344 1 403 . 1 1 40 40 CYS CB C 13 29.637 0.300 . 1 . . . . 40 CYS CB . 11344 1 404 . 1 1 40 40 CYS N N 15 122.605 0.300 . 1 . . . . 40 CYS N . 11344 1 405 . 1 1 41 41 ILE H H 1 8.144 0.030 . 1 . . . . 41 ILE H . 11344 1 406 . 1 1 41 41 ILE HA H 1 3.243 0.030 . 1 . . . . 41 ILE HA . 11344 1 407 . 1 1 41 41 ILE HB H 1 1.649 0.030 . 1 . . . . 41 ILE HB . 11344 1 408 . 1 1 41 41 ILE HD11 H 1 0.327 0.030 . 1 . . . . 41 ILE HD1 . 11344 1 409 . 1 1 41 41 ILE HD12 H 1 0.327 0.030 . 1 . . . . 41 ILE HD1 . 11344 1 410 . 1 1 41 41 ILE HD13 H 1 0.327 0.030 . 1 . . . . 41 ILE HD1 . 11344 1 411 . 1 1 41 41 ILE HG12 H 1 1.230 0.030 . 2 . . . . 41 ILE HG12 . 11344 1 412 . 1 1 41 41 ILE HG13 H 1 0.889 0.030 . 2 . . . . 41 ILE HG13 . 11344 1 413 . 1 1 41 41 ILE HG21 H 1 0.768 0.030 . 1 . . . . 41 ILE HG2 . 11344 1 414 . 1 1 41 41 ILE HG22 H 1 0.768 0.030 . 1 . . . . 41 ILE HG2 . 11344 1 415 . 1 1 41 41 ILE HG23 H 1 0.768 0.030 . 1 . . . . 41 ILE HG2 . 11344 1 416 . 1 1 41 41 ILE C C 13 178.131 0.300 . 1 . . . . 41 ILE C . 11344 1 417 . 1 1 41 41 ILE CA C 13 62.259 0.300 . 1 . . . . 41 ILE CA . 11344 1 418 . 1 1 41 41 ILE CB C 13 37.232 0.300 . 1 . . . . 41 ILE CB . 11344 1 419 . 1 1 41 41 ILE CD1 C 13 12.716 0.300 . 1 . . . . 41 ILE CD1 . 11344 1 420 . 1 1 41 41 ILE CG1 C 13 28.321 0.300 . 1 . . . . 41 ILE CG1 . 11344 1 421 . 1 1 41 41 ILE CG2 C 13 18.061 0.300 . 1 . . . . 41 ILE CG2 . 11344 1 422 . 1 1 41 41 ILE N N 15 120.573 0.300 . 1 . . . . 41 ILE N . 11344 1 423 . 1 1 42 42 ASP H H 1 8.205 0.030 . 1 . . . . 42 ASP H . 11344 1 424 . 1 1 42 42 ASP HA H 1 4.297 0.030 . 1 . . . . 42 ASP HA . 11344 1 425 . 1 1 42 42 ASP HB2 H 1 2.551 0.030 . 2 . . . . 42 ASP HB2 . 11344 1 426 . 1 1 42 42 ASP HB3 H 1 2.746 0.030 . 2 . . . . 42 ASP HB3 . 11344 1 427 . 1 1 42 42 ASP C C 13 177.764 0.300 . 1 . . . . 42 ASP C . 11344 1 428 . 1 1 42 42 ASP CA C 13 56.770 0.300 . 1 . . . . 42 ASP CA . 11344 1 429 . 1 1 42 42 ASP CB C 13 40.201 0.300 . 1 . . . . 42 ASP CB . 11344 1 430 . 1 1 42 42 ASP N N 15 121.500 0.300 . 1 . . . . 42 ASP N . 11344 1 431 . 1 1 43 43 LYS H H 1 7.391 0.030 . 1 . . . . 43 LYS H . 11344 1 432 . 1 1 43 43 LYS HA H 1 4.010 0.030 . 1 . . . . 43 LYS HA . 11344 1 433 . 1 1 43 43 LYS HB2 H 1 1.453 0.030 . 2 . . . . 43 LYS HB2 . 11344 1 434 . 1 1 43 43 LYS HB3 H 1 1.616 0.030 . 2 . . . . 43 LYS HB3 . 11344 1 435 . 1 1 43 43 LYS HD2 H 1 1.444 0.030 . 1 . . . . 43 LYS HD2 . 11344 1 436 . 1 1 43 43 LYS HD3 H 1 1.444 0.030 . 1 . . . . 43 LYS HD3 . 11344 1 437 . 1 1 43 43 LYS HE2 H 1 2.656 0.030 . 2 . . . . 43 LYS HE2 . 11344 1 438 . 1 1 43 43 LYS HE3 H 1 2.722 0.030 . 2 . . . . 43 LYS HE3 . 11344 1 439 . 1 1 43 43 LYS HG2 H 1 0.659 0.030 . 2 . . . . 43 LYS HG2 . 11344 1 440 . 1 1 43 43 LYS HG3 H 1 1.012 0.030 . 2 . . . . 43 LYS HG3 . 11344 1 441 . 1 1 43 43 LYS C C 13 177.958 0.300 . 1 . . . . 43 LYS C . 11344 1 442 . 1 1 43 43 LYS CA C 13 57.771 0.300 . 1 . . . . 43 LYS CA . 11344 1 443 . 1 1 43 43 LYS CB C 13 33.263 0.300 . 1 . . . . 43 LYS CB . 11344 1 444 . 1 1 43 43 LYS CD C 13 29.269 0.300 . 1 . . . . 43 LYS CD . 11344 1 445 . 1 1 43 43 LYS CE C 13 42.202 0.300 . 1 . . . . 43 LYS CE . 11344 1 446 . 1 1 43 43 LYS CG C 13 24.700 0.300 . 1 . . . . 43 LYS CG . 11344 1 447 . 1 1 43 43 LYS N N 15 117.579 0.300 . 1 . . . . 43 LYS N . 11344 1 448 . 1 1 44 44 TRP H H 1 8.015 0.030 . 1 . . . . 44 TRP H . 11344 1 449 . 1 1 44 44 TRP HA H 1 4.844 0.030 . 1 . . . . 44 TRP HA . 11344 1 450 . 1 1 44 44 TRP HB2 H 1 3.018 0.030 . 2 . . . . 44 TRP HB2 . 11344 1 451 . 1 1 44 44 TRP HB3 H 1 3.335 0.030 . 2 . . . . 44 TRP HB3 . 11344 1 452 . 1 1 44 44 TRP HD1 H 1 7.224 0.030 . 1 . . . . 44 TRP HD1 . 11344 1 453 . 1 1 44 44 TRP HE1 H 1 9.978 0.030 . 1 . . . . 44 TRP HE1 . 11344 1 454 . 1 1 44 44 TRP HE3 H 1 7.646 0.030 . 1 . . . . 44 TRP HE3 . 11344 1 455 . 1 1 44 44 TRP HH2 H 1 6.867 0.030 . 1 . . . . 44 TRP HH2 . 11344 1 456 . 1 1 44 44 TRP HZ2 H 1 7.061 0.030 . 1 . . . . 44 TRP HZ2 . 11344 1 457 . 1 1 44 44 TRP HZ3 H 1 7.005 0.030 . 1 . . . . 44 TRP HZ3 . 11344 1 458 . 1 1 44 44 TRP C C 13 176.643 0.300 . 1 . . . . 44 TRP C . 11344 1 459 . 1 1 44 44 TRP CA C 13 56.892 0.300 . 1 . . . . 44 TRP CA . 11344 1 460 . 1 1 44 44 TRP CB C 13 30.478 0.300 . 1 . . . . 44 TRP CB . 11344 1 461 . 1 1 44 44 TRP CD1 C 13 127.043 0.300 . 1 . . . . 44 TRP CD1 . 11344 1 462 . 1 1 44 44 TRP CE3 C 13 121.074 0.300 . 1 . . . . 44 TRP CE3 . 11344 1 463 . 1 1 44 44 TRP CH2 C 13 124.572 0.300 . 1 . . . . 44 TRP CH2 . 11344 1 464 . 1 1 44 44 TRP CZ2 C 13 114.077 0.300 . 1 . . . . 44 TRP CZ2 . 11344 1 465 . 1 1 44 44 TRP CZ3 C 13 121.960 0.300 . 1 . . . . 44 TRP CZ3 . 11344 1 466 . 1 1 44 44 TRP N N 15 116.912 0.300 . 1 . . . . 44 TRP N . 11344 1 467 . 1 1 44 44 TRP NE1 N 15 127.696 0.300 . 1 . . . . 44 TRP NE1 . 11344 1 468 . 1 1 45 45 SER H H 1 7.987 0.030 . 1 . . . . 45 SER H . 11344 1 469 . 1 1 45 45 SER HA H 1 4.547 0.030 . 1 . . . . 45 SER HA . 11344 1 470 . 1 1 45 45 SER HB2 H 1 3.720 0.030 . 2 . . . . 45 SER HB2 . 11344 1 471 . 1 1 45 45 SER HB3 H 1 3.991 0.030 . 2 . . . . 45 SER HB3 . 11344 1 472 . 1 1 45 45 SER C C 13 173.922 0.300 . 1 . . . . 45 SER C . 11344 1 473 . 1 1 45 45 SER CA C 13 57.279 0.300 . 1 . . . . 45 SER CA . 11344 1 474 . 1 1 45 45 SER CB C 13 64.190 0.300 . 1 . . . . 45 SER CB . 11344 1 475 . 1 1 45 45 SER N N 15 115.167 0.300 . 1 . . . . 45 SER N . 11344 1 476 . 1 1 46 46 ASP H H 1 8.623 0.030 . 1 . . . . 46 ASP H . 11344 1 477 . 1 1 46 46 ASP HA H 1 4.713 0.030 . 1 . . . . 46 ASP HA . 11344 1 478 . 1 1 46 46 ASP HB2 H 1 2.742 0.030 . 2 . . . . 46 ASP HB2 . 11344 1 479 . 1 1 46 46 ASP HB3 H 1 2.932 0.030 . 2 . . . . 46 ASP HB3 . 11344 1 480 . 1 1 46 46 ASP C C 13 177.818 0.300 . 1 . . . . 46 ASP C . 11344 1 481 . 1 1 46 46 ASP CA C 13 53.208 0.300 . 1 . . . . 46 ASP CA . 11344 1 482 . 1 1 46 46 ASP CB C 13 42.330 0.300 . 1 . . . . 46 ASP CB . 11344 1 483 . 1 1 46 46 ASP N N 15 121.271 0.300 . 1 . . . . 46 ASP N . 11344 1 484 . 1 1 47 47 ARG HA H 1 4.096 0.030 . 1 . . . . 47 ARG HA . 11344 1 485 . 1 1 47 47 ARG HB2 H 1 1.678 0.030 . 2 . . . . 47 ARG HB2 . 11344 1 486 . 1 1 47 47 ARG HB3 H 1 1.641 0.030 . 2 . . . . 47 ARG HB3 . 11344 1 487 . 1 1 47 47 ARG HD2 H 1 3.041 0.030 . 1 . . . . 47 ARG HD2 . 11344 1 488 . 1 1 47 47 ARG HD3 H 1 3.041 0.030 . 1 . . . . 47 ARG HD3 . 11344 1 489 . 1 1 47 47 ARG HG2 H 1 1.362 0.030 . 2 . . . . 47 ARG HG2 . 11344 1 490 . 1 1 47 47 ARG HG3 H 1 1.106 0.030 . 2 . . . . 47 ARG HG3 . 11344 1 491 . 1 1 47 47 ARG C C 13 176.363 0.300 . 1 . . . . 47 ARG C . 11344 1 492 . 1 1 47 47 ARG CA C 13 57.577 0.300 . 1 . . . . 47 ARG CA . 11344 1 493 . 1 1 47 47 ARG CB C 13 29.560 0.300 . 1 . . . . 47 ARG CB . 11344 1 494 . 1 1 47 47 ARG CD C 13 43.195 0.300 . 1 . . . . 47 ARG CD . 11344 1 495 . 1 1 47 47 ARG CG C 13 26.427 0.300 . 1 . . . . 47 ARG CG . 11344 1 496 . 1 1 48 48 HIS H H 1 7.809 0.030 . 1 . . . . 48 HIS H . 11344 1 497 . 1 1 48 48 HIS HA H 1 4.526 0.030 . 1 . . . . 48 HIS HA . 11344 1 498 . 1 1 48 48 HIS HB2 H 1 2.949 0.030 . 2 . . . . 48 HIS HB2 . 11344 1 499 . 1 1 48 48 HIS HB3 H 1 3.159 0.030 . 2 . . . . 48 HIS HB3 . 11344 1 500 . 1 1 48 48 HIS HD2 H 1 6.920 0.030 . 1 . . . . 48 HIS HD2 . 11344 1 501 . 1 1 48 48 HIS HE1 H 1 7.767 0.030 . 1 . . . . 48 HIS HE1 . 11344 1 502 . 1 1 48 48 HIS C C 13 174.856 0.300 . 1 . . . . 48 HIS C . 11344 1 503 . 1 1 48 48 HIS CA C 13 55.840 0.300 . 1 . . . . 48 HIS CA . 11344 1 504 . 1 1 48 48 HIS CB C 13 30.122 0.300 . 1 . . . . 48 HIS CB . 11344 1 505 . 1 1 48 48 HIS CD2 C 13 120.130 0.300 . 1 . . . . 48 HIS CD2 . 11344 1 506 . 1 1 48 48 HIS CE1 C 13 138.331 0.300 . 1 . . . . 48 HIS CE1 . 11344 1 507 . 1 1 48 48 HIS N N 15 117.894 0.300 . 1 . . . . 48 HIS N . 11344 1 508 . 1 1 49 49 ARG H H 1 8.179 0.030 . 1 . . . . 49 ARG H . 11344 1 509 . 1 1 49 49 ARG HA H 1 4.052 0.030 . 1 . . . . 49 ARG HA . 11344 1 510 . 1 1 49 49 ARG HB2 H 1 1.884 0.030 . 2 . . . . 49 ARG HB2 . 11344 1 511 . 1 1 49 49 ARG HB3 H 1 1.919 0.030 . 2 . . . . 49 ARG HB3 . 11344 1 512 . 1 1 49 49 ARG HD2 H 1 3.044 0.030 . 1 . . . . 49 ARG HD2 . 11344 1 513 . 1 1 49 49 ARG HD3 H 1 3.044 0.030 . 1 . . . . 49 ARG HD3 . 11344 1 514 . 1 1 49 49 ARG HG2 H 1 1.536 0.030 . 1 . . . . 49 ARG HG2 . 11344 1 515 . 1 1 49 49 ARG HG3 H 1 1.536 0.030 . 1 . . . . 49 ARG HG3 . 11344 1 516 . 1 1 49 49 ARG C C 13 175.431 0.300 . 1 . . . . 49 ARG C . 11344 1 517 . 1 1 49 49 ARG CA C 13 56.423 0.300 . 1 . . . . 49 ARG CA . 11344 1 518 . 1 1 49 49 ARG CB C 13 28.059 0.300 . 1 . . . . 49 ARG CB . 11344 1 519 . 1 1 49 49 ARG CD C 13 43.581 0.300 . 1 . . . . 49 ARG CD . 11344 1 520 . 1 1 49 49 ARG CG C 13 27.587 0.300 . 1 . . . . 49 ARG CG . 11344 1 521 . 1 1 49 49 ARG N N 15 117.418 0.300 . 1 . . . . 49 ARG N . 11344 1 522 . 1 1 50 50 ASN H H 1 8.117 0.030 . 1 . . . . 50 ASN H . 11344 1 523 . 1 1 50 50 ASN HA H 1 4.576 0.030 . 1 . . . . 50 ASN HA . 11344 1 524 . 1 1 50 50 ASN HB2 H 1 2.439 0.030 . 2 . . . . 50 ASN HB2 . 11344 1 525 . 1 1 50 50 ASN HB3 H 1 2.666 0.030 . 2 . . . . 50 ASN HB3 . 11344 1 526 . 1 1 50 50 ASN HD21 H 1 7.060 0.030 . 2 . . . . 50 ASN HD21 . 11344 1 527 . 1 1 50 50 ASN HD22 H 1 8.676 0.030 . 2 . . . . 50 ASN HD22 . 11344 1 528 . 1 1 50 50 ASN C C 13 175.511 0.300 . 1 . . . . 50 ASN C . 11344 1 529 . 1 1 50 50 ASN CA C 13 53.377 0.300 . 1 . . . . 50 ASN CA . 11344 1 530 . 1 1 50 50 ASN CB C 13 39.260 0.300 . 1 . . . . 50 ASN CB . 11344 1 531 . 1 1 50 50 ASN N N 15 116.089 0.300 . 1 . . . . 50 ASN N . 11344 1 532 . 1 1 50 50 ASN ND2 N 15 117.091 0.300 . 1 . . . . 50 ASN ND2 . 11344 1 533 . 1 1 51 51 CYS H H 1 8.867 0.030 . 1 . . . . 51 CYS H . 11344 1 534 . 1 1 51 51 CYS HA H 1 4.080 0.030 . 1 . . . . 51 CYS HA . 11344 1 535 . 1 1 51 51 CYS HB2 H 1 3.155 0.030 . 2 . . . . 51 CYS HB2 . 11344 1 536 . 1 1 51 51 CYS HB3 H 1 2.973 0.030 . 2 . . . . 51 CYS HB3 . 11344 1 537 . 1 1 51 51 CYS C C 13 175.602 0.300 . 1 . . . . 51 CYS C . 11344 1 538 . 1 1 51 51 CYS CA C 13 57.250 0.300 . 1 . . . . 51 CYS CA . 11344 1 539 . 1 1 51 51 CYS CB C 13 30.897 0.300 . 1 . . . . 51 CYS CB . 11344 1 540 . 1 1 51 51 CYS N N 15 125.196 0.300 . 1 . . . . 51 CYS N . 11344 1 541 . 1 1 52 52 PRO HA H 1 4.231 0.030 . 1 . . . . 52 PRO HA . 11344 1 542 . 1 1 52 52 PRO HB2 H 1 2.037 0.030 . 2 . . . . 52 PRO HB2 . 11344 1 543 . 1 1 52 52 PRO HB3 H 1 1.734 0.030 . 2 . . . . 52 PRO HB3 . 11344 1 544 . 1 1 52 52 PRO HD2 H 1 3.544 0.030 . 2 . . . . 52 PRO HD2 . 11344 1 545 . 1 1 52 52 PRO HD3 H 1 3.336 0.030 . 2 . . . . 52 PRO HD3 . 11344 1 546 . 1 1 52 52 PRO HG2 H 1 1.359 0.030 . 2 . . . . 52 PRO HG2 . 11344 1 547 . 1 1 52 52 PRO HG3 H 1 1.495 0.030 . 2 . . . . 52 PRO HG3 . 11344 1 548 . 1 1 52 52 PRO C C 13 176.980 0.300 . 1 . . . . 52 PRO C . 11344 1 549 . 1 1 52 52 PRO CA C 13 64.229 0.300 . 1 . . . . 52 PRO CA . 11344 1 550 . 1 1 52 52 PRO CB C 13 32.373 0.300 . 1 . . . . 52 PRO CB . 11344 1 551 . 1 1 52 52 PRO CD C 13 50.641 0.300 . 1 . . . . 52 PRO CD . 11344 1 552 . 1 1 52 52 PRO CG C 13 27.028 0.300 . 1 . . . . 52 PRO CG . 11344 1 553 . 1 1 53 53 ILE H H 1 8.442 0.030 . 1 . . . . 53 ILE H . 11344 1 554 . 1 1 53 53 ILE HA H 1 3.839 0.030 . 1 . . . . 53 ILE HA . 11344 1 555 . 1 1 53 53 ILE HB H 1 1.150 0.030 . 1 . . . . 53 ILE HB . 11344 1 556 . 1 1 53 53 ILE HD11 H 1 0.508 0.030 . 1 . . . . 53 ILE HD1 . 11344 1 557 . 1 1 53 53 ILE HD12 H 1 0.508 0.030 . 1 . . . . 53 ILE HD1 . 11344 1 558 . 1 1 53 53 ILE HD13 H 1 0.508 0.030 . 1 . . . . 53 ILE HD1 . 11344 1 559 . 1 1 53 53 ILE HG12 H 1 1.285 0.030 . 2 . . . . 53 ILE HG12 . 11344 1 560 . 1 1 53 53 ILE HG13 H 1 1.142 0.030 . 2 . . . . 53 ILE HG13 . 11344 1 561 . 1 1 53 53 ILE HG21 H 1 0.530 0.030 . 1 . . . . 53 ILE HG2 . 11344 1 562 . 1 1 53 53 ILE HG22 H 1 0.530 0.030 . 1 . . . . 53 ILE HG2 . 11344 1 563 . 1 1 53 53 ILE HG23 H 1 0.530 0.030 . 1 . . . . 53 ILE HG2 . 11344 1 564 . 1 1 53 53 ILE C C 13 178.918 0.300 . 1 . . . . 53 ILE C . 11344 1 565 . 1 1 53 53 ILE CA C 13 62.782 0.300 . 1 . . . . 53 ILE CA . 11344 1 566 . 1 1 53 53 ILE CB C 13 38.074 0.300 . 1 . . . . 53 ILE CB . 11344 1 567 . 1 1 53 53 ILE CD1 C 13 11.077 0.300 . 1 . . . . 53 ILE CD1 . 11344 1 568 . 1 1 53 53 ILE CG1 C 13 27.886 0.300 . 1 . . . . 53 ILE CG1 . 11344 1 569 . 1 1 53 53 ILE CG2 C 13 17.199 0.300 . 1 . . . . 53 ILE CG2 . 11344 1 570 . 1 1 53 53 ILE N N 15 121.795 0.300 . 1 . . . . 53 ILE N . 11344 1 571 . 1 1 54 54 CYS H H 1 9.393 0.030 . 1 . . . . 54 CYS H . 11344 1 572 . 1 1 54 54 CYS HA H 1 4.114 0.030 . 1 . . . . 54 CYS HA . 11344 1 573 . 1 1 54 54 CYS HB2 H 1 2.823 0.030 . 2 . . . . 54 CYS HB2 . 11344 1 574 . 1 1 54 54 CYS HB3 H 1 3.008 0.030 . 2 . . . . 54 CYS HB3 . 11344 1 575 . 1 1 54 54 CYS C C 13 177.555 0.300 . 1 . . . . 54 CYS C . 11344 1 576 . 1 1 54 54 CYS CA C 13 64.569 0.300 . 1 . . . . 54 CYS CA . 11344 1 577 . 1 1 54 54 CYS CB C 13 29.541 0.300 . 1 . . . . 54 CYS CB . 11344 1 578 . 1 1 54 54 CYS N N 15 124.582 0.300 . 1 . . . . 54 CYS N . 11344 1 579 . 1 1 55 55 ARG H H 1 7.588 0.030 . 1 . . . . 55 ARG H . 11344 1 580 . 1 1 55 55 ARG HA H 1 4.161 0.030 . 1 . . . . 55 ARG HA . 11344 1 581 . 1 1 55 55 ARG HB2 H 1 1.870 0.030 . 2 . . . . 55 ARG HB2 . 11344 1 582 . 1 1 55 55 ARG HB3 H 1 1.795 0.030 . 2 . . . . 55 ARG HB3 . 11344 1 583 . 1 1 55 55 ARG HD2 H 1 3.118 0.030 . 1 . . . . 55 ARG HD2 . 11344 1 584 . 1 1 55 55 ARG HD3 H 1 3.118 0.030 . 1 . . . . 55 ARG HD3 . 11344 1 585 . 1 1 55 55 ARG HG2 H 1 1.565 0.030 . 1 . . . . 55 ARG HG2 . 11344 1 586 . 1 1 55 55 ARG HG3 H 1 1.565 0.030 . 1 . . . . 55 ARG HG3 . 11344 1 587 . 1 1 55 55 ARG C C 13 177.030 0.300 . 1 . . . . 55 ARG C . 11344 1 588 . 1 1 55 55 ARG CA C 13 57.505 0.300 . 1 . . . . 55 ARG CA . 11344 1 589 . 1 1 55 55 ARG CB C 13 29.883 0.300 . 1 . . . . 55 ARG CB . 11344 1 590 . 1 1 55 55 ARG CD C 13 43.237 0.300 . 1 . . . . 55 ARG CD . 11344 1 591 . 1 1 55 55 ARG CG C 13 27.079 0.300 . 1 . . . . 55 ARG CG . 11344 1 592 . 1 1 55 55 ARG N N 15 116.087 0.300 . 1 . . . . 55 ARG N . 11344 1 593 . 1 1 56 56 LEU H H 1 7.467 0.030 . 1 . . . . 56 LEU H . 11344 1 594 . 1 1 56 56 LEU HA H 1 4.210 0.030 . 1 . . . . 56 LEU HA . 11344 1 595 . 1 1 56 56 LEU HB2 H 1 1.598 0.030 . 2 . . . . 56 LEU HB2 . 11344 1 596 . 1 1 56 56 LEU HB3 H 1 1.795 0.030 . 2 . . . . 56 LEU HB3 . 11344 1 597 . 1 1 56 56 LEU HD11 H 1 0.890 0.030 . 1 . . . . 56 LEU HD1 . 11344 1 598 . 1 1 56 56 LEU HD12 H 1 0.890 0.030 . 1 . . . . 56 LEU HD1 . 11344 1 599 . 1 1 56 56 LEU HD13 H 1 0.890 0.030 . 1 . . . . 56 LEU HD1 . 11344 1 600 . 1 1 56 56 LEU HD21 H 1 0.838 0.030 . 1 . . . . 56 LEU HD2 . 11344 1 601 . 1 1 56 56 LEU HD22 H 1 0.838 0.030 . 1 . . . . 56 LEU HD2 . 11344 1 602 . 1 1 56 56 LEU HD23 H 1 0.838 0.030 . 1 . . . . 56 LEU HD2 . 11344 1 603 . 1 1 56 56 LEU HG H 1 1.655 0.030 . 1 . . . . 56 LEU HG . 11344 1 604 . 1 1 56 56 LEU C C 13 177.941 0.300 . 1 . . . . 56 LEU C . 11344 1 605 . 1 1 56 56 LEU CA C 13 56.143 0.300 . 1 . . . . 56 LEU CA . 11344 1 606 . 1 1 56 56 LEU CB C 13 41.708 0.300 . 1 . . . . 56 LEU CB . 11344 1 607 . 1 1 56 56 LEU CD1 C 13 25.109 0.300 . 2 . . . . 56 LEU CD1 . 11344 1 608 . 1 1 56 56 LEU CD2 C 13 23.240 0.300 . 2 . . . . 56 LEU CD2 . 11344 1 609 . 1 1 56 56 LEU CG C 13 26.941 0.300 . 1 . . . . 56 LEU CG . 11344 1 610 . 1 1 56 56 LEU N N 15 119.230 0.300 . 1 . . . . 56 LEU N . 11344 1 611 . 1 1 57 57 GLN H H 1 7.935 0.030 . 1 . . . . 57 GLN H . 11344 1 612 . 1 1 57 57 GLN HA H 1 4.258 0.030 . 1 . . . . 57 GLN HA . 11344 1 613 . 1 1 57 57 GLN HB2 H 1 2.056 0.030 . 2 . . . . 57 GLN HB2 . 11344 1 614 . 1 1 57 57 GLN HB3 H 1 2.162 0.030 . 2 . . . . 57 GLN HB3 . 11344 1 615 . 1 1 57 57 GLN HE21 H 1 7.469 0.030 . 2 . . . . 57 GLN HE21 . 11344 1 616 . 1 1 57 57 GLN HE22 H 1 6.870 0.030 . 2 . . . . 57 GLN HE22 . 11344 1 617 . 1 1 57 57 GLN HG2 H 1 2.353 0.030 . 2 . . . . 57 GLN HG2 . 11344 1 618 . 1 1 57 57 GLN HG3 H 1 2.418 0.030 . 2 . . . . 57 GLN HG3 . 11344 1 619 . 1 1 57 57 GLN C C 13 176.413 0.300 . 1 . . . . 57 GLN C . 11344 1 620 . 1 1 57 57 GLN CA C 13 56.436 0.300 . 1 . . . . 57 GLN CA . 11344 1 621 . 1 1 57 57 GLN CB C 13 28.997 0.300 . 1 . . . . 57 GLN CB . 11344 1 622 . 1 1 57 57 GLN CG C 13 34.061 0.300 . 1 . . . . 57 GLN CG . 11344 1 623 . 1 1 57 57 GLN N N 15 117.982 0.300 . 1 . . . . 57 GLN N . 11344 1 624 . 1 1 57 57 GLN NE2 N 15 111.786 0.300 . 1 . . . . 57 GLN NE2 . 11344 1 625 . 1 1 58 58 MET H H 1 8.101 0.030 . 1 . . . . 58 MET H . 11344 1 626 . 1 1 58 58 MET HA H 1 4.487 0.030 . 1 . . . . 58 MET HA . 11344 1 627 . 1 1 58 58 MET HB2 H 1 2.101 0.030 . 2 . . . . 58 MET HB2 . 11344 1 628 . 1 1 58 58 MET HB3 H 1 2.013 0.030 . 2 . . . . 58 MET HB3 . 11344 1 629 . 1 1 58 58 MET HE1 H 1 1.939 0.030 . 1 . . . . 58 MET HE . 11344 1 630 . 1 1 58 58 MET HE2 H 1 1.939 0.030 . 1 . . . . 58 MET HE . 11344 1 631 . 1 1 58 58 MET HE3 H 1 1.939 0.030 . 1 . . . . 58 MET HE . 11344 1 632 . 1 1 58 58 MET HG2 H 1 2.578 0.030 . 2 . . . . 58 MET HG2 . 11344 1 633 . 1 1 58 58 MET HG3 H 1 2.482 0.030 . 2 . . . . 58 MET HG3 . 11344 1 634 . 1 1 58 58 MET C C 13 176.564 0.300 . 1 . . . . 58 MET C . 11344 1 635 . 1 1 58 58 MET CA C 13 55.973 0.300 . 1 . . . . 58 MET CA . 11344 1 636 . 1 1 58 58 MET CB C 13 32.696 0.300 . 1 . . . . 58 MET CB . 11344 1 637 . 1 1 58 58 MET CE C 13 16.840 0.300 . 1 . . . . 58 MET CE . 11344 1 638 . 1 1 58 58 MET CG C 13 32.065 0.300 . 1 . . . . 58 MET CG . 11344 1 639 . 1 1 58 58 MET N N 15 119.613 0.300 . 1 . . . . 58 MET N . 11344 1 640 . 1 1 59 59 THR H H 1 8.081 0.030 . 1 . . . . 59 THR H . 11344 1 641 . 1 1 59 59 THR HA H 1 4.326 0.030 . 1 . . . . 59 THR HA . 11344 1 642 . 1 1 59 59 THR HB H 1 4.239 0.030 . 1 . . . . 59 THR HB . 11344 1 643 . 1 1 59 59 THR HG21 H 1 1.198 0.030 . 1 . . . . 59 THR HG2 . 11344 1 644 . 1 1 59 59 THR HG22 H 1 1.198 0.030 . 1 . . . . 59 THR HG2 . 11344 1 645 . 1 1 59 59 THR HG23 H 1 1.198 0.030 . 1 . . . . 59 THR HG2 . 11344 1 646 . 1 1 59 59 THR C C 13 175.243 0.300 . 1 . . . . 59 THR C . 11344 1 647 . 1 1 59 59 THR CA C 13 62.246 0.300 . 1 . . . . 59 THR CA . 11344 1 648 . 1 1 59 59 THR CB C 13 69.970 0.300 . 1 . . . . 59 THR CB . 11344 1 649 . 1 1 59 59 THR CG2 C 13 21.563 0.300 . 1 . . . . 59 THR CG2 . 11344 1 650 . 1 1 59 59 THR N N 15 114.052 0.300 . 1 . . . . 59 THR N . 11344 1 651 . 1 1 60 60 GLY H H 1 8.416 0.030 . 1 . . . . 60 GLY H . 11344 1 652 . 1 1 60 60 GLY HA2 H 1 3.957 0.030 . 1 . . . . 60 GLY HA2 . 11344 1 653 . 1 1 60 60 GLY HA3 H 1 3.957 0.030 . 1 . . . . 60 GLY HA3 . 11344 1 654 . 1 1 60 60 GLY C C 13 173.992 0.300 . 1 . . . . 60 GLY C . 11344 1 655 . 1 1 60 60 GLY CA C 13 45.387 0.300 . 1 . . . . 60 GLY CA . 11344 1 656 . 1 1 60 60 GLY N N 15 111.282 0.300 . 1 . . . . 60 GLY N . 11344 1 657 . 1 1 61 61 ALA H H 1 8.168 0.030 . 1 . . . . 61 ALA H . 11344 1 658 . 1 1 61 61 ALA HA H 1 4.286 0.030 . 1 . . . . 61 ALA HA . 11344 1 659 . 1 1 61 61 ALA HB1 H 1 1.352 0.030 . 1 . . . . 61 ALA HB . 11344 1 660 . 1 1 61 61 ALA HB2 H 1 1.352 0.030 . 1 . . . . 61 ALA HB . 11344 1 661 . 1 1 61 61 ALA HB3 H 1 1.352 0.030 . 1 . . . . 61 ALA HB . 11344 1 662 . 1 1 61 61 ALA C C 13 177.593 0.300 . 1 . . . . 61 ALA C . 11344 1 663 . 1 1 61 61 ALA CA C 13 52.674 0.300 . 1 . . . . 61 ALA CA . 11344 1 664 . 1 1 61 61 ALA CB C 13 19.390 0.300 . 1 . . . . 61 ALA CB . 11344 1 665 . 1 1 61 61 ALA N N 15 123.575 0.300 . 1 . . . . 61 ALA N . 11344 1 666 . 1 1 62 62 ASN H H 1 8.454 0.030 . 1 . . . . 62 ASN H . 11344 1 667 . 1 1 62 62 ASN HA H 1 4.683 0.030 . 1 . . . . 62 ASN HA . 11344 1 668 . 1 1 62 62 ASN HB2 H 1 2.834 0.030 . 2 . . . . 62 ASN HB2 . 11344 1 669 . 1 1 62 62 ASN HB3 H 1 2.736 0.030 . 2 . . . . 62 ASN HB3 . 11344 1 670 . 1 1 62 62 ASN HD21 H 1 7.605 0.030 . 2 . . . . 62 ASN HD21 . 11344 1 671 . 1 1 62 62 ASN HD22 H 1 6.917 0.030 . 2 . . . . 62 ASN HD22 . 11344 1 672 . 1 1 62 62 ASN C C 13 175.341 0.300 . 1 . . . . 62 ASN C . 11344 1 673 . 1 1 62 62 ASN CA C 13 53.359 0.300 . 1 . . . . 62 ASN CA . 11344 1 674 . 1 1 62 62 ASN CB C 13 38.874 0.300 . 1 . . . . 62 ASN CB . 11344 1 675 . 1 1 62 62 ASN N N 15 117.605 0.300 . 1 . . . . 62 ASN N . 11344 1 676 . 1 1 62 62 ASN ND2 N 15 113.172 0.300 . 1 . . . . 62 ASN ND2 . 11344 1 677 . 1 1 63 63 GLU H H 1 8.389 0.030 . 1 . . . . 63 GLU H . 11344 1 678 . 1 1 63 63 GLU HA H 1 4.294 0.030 . 1 . . . . 63 GLU HA . 11344 1 679 . 1 1 63 63 GLU HB2 H 1 1.933 0.030 . 2 . . . . 63 GLU HB2 . 11344 1 680 . 1 1 63 63 GLU HB3 H 1 2.072 0.030 . 2 . . . . 63 GLU HB3 . 11344 1 681 . 1 1 63 63 GLU HG2 H 1 2.222 0.030 . 1 . . . . 63 GLU HG2 . 11344 1 682 . 1 1 63 63 GLU HG3 H 1 2.222 0.030 . 1 . . . . 63 GLU HG3 . 11344 1 683 . 1 1 63 63 GLU C C 13 176.639 0.300 . 1 . . . . 63 GLU C . 11344 1 684 . 1 1 63 63 GLU CA C 13 56.854 0.300 . 1 . . . . 63 GLU CA . 11344 1 685 . 1 1 63 63 GLU CB C 13 30.211 0.300 . 1 . . . . 63 GLU CB . 11344 1 686 . 1 1 63 63 GLU CG C 13 36.211 0.300 . 1 . . . . 63 GLU CG . 11344 1 687 . 1 1 63 63 GLU N N 15 121.198 0.300 . 1 . . . . 63 GLU N . 11344 1 688 . 1 1 64 64 SER H H 1 8.380 0.030 . 1 . . . . 64 SER H . 11344 1 689 . 1 1 64 64 SER HA H 1 4.491 0.030 . 1 . . . . 64 SER HA . 11344 1 690 . 1 1 64 64 SER HB2 H 1 3.900 0.030 . 2 . . . . 64 SER HB2 . 11344 1 691 . 1 1 64 64 SER HB3 H 1 3.858 0.030 . 2 . . . . 64 SER HB3 . 11344 1 692 . 1 1 64 64 SER C C 13 174.668 0.300 . 1 . . . . 64 SER C . 11344 1 693 . 1 1 64 64 SER CA C 13 58.390 0.300 . 1 . . . . 64 SER CA . 11344 1 694 . 1 1 64 64 SER CB C 13 63.809 0.300 . 1 . . . . 64 SER CB . 11344 1 695 . 1 1 64 64 SER N N 15 116.595 0.300 . 1 . . . . 64 SER N . 11344 1 696 . 1 1 65 65 SER H H 1 8.346 0.030 . 1 . . . . 65 SER H . 11344 1 697 . 1 1 65 65 SER HA H 1 4.531 0.030 . 1 . . . . 65 SER HA . 11344 1 698 . 1 1 65 65 SER HB2 H 1 3.896 0.030 . 1 . . . . 65 SER HB2 . 11344 1 699 . 1 1 65 65 SER HB3 H 1 3.896 0.030 . 1 . . . . 65 SER HB3 . 11344 1 700 . 1 1 65 65 SER C C 13 173.962 0.300 . 1 . . . . 65 SER C . 11344 1 701 . 1 1 65 65 SER CA C 13 58.395 0.300 . 1 . . . . 65 SER CA . 11344 1 702 . 1 1 65 65 SER CB C 13 63.949 0.300 . 1 . . . . 65 SER CB . 11344 1 703 . 1 1 65 65 SER N N 15 117.822 0.300 . 1 . . . . 65 SER N . 11344 1 704 . 1 1 66 66 GLY HA2 H 1 4.139 0.030 . 2 . . . . 66 GLY HA2 . 11344 1 705 . 1 1 66 66 GLY HA3 H 1 4.087 0.030 . 2 . . . . 66 GLY HA3 . 11344 1 706 . 1 1 66 66 GLY CA C 13 44.634 0.300 . 1 . . . . 66 GLY CA . 11344 1 707 . 1 1 67 67 PRO HA H 1 4.449 0.030 . 1 . . . . 67 PRO HA . 11344 1 708 . 1 1 67 67 PRO HB2 H 1 2.266 0.030 . 1 . . . . 67 PRO HB2 . 11344 1 709 . 1 1 67 67 PRO HB3 H 1 2.266 0.030 . 1 . . . . 67 PRO HB3 . 11344 1 710 . 1 1 67 67 PRO HD2 H 1 3.600 0.030 . 1 . . . . 67 PRO HD2 . 11344 1 711 . 1 1 67 67 PRO HD3 H 1 3.600 0.030 . 1 . . . . 67 PRO HD3 . 11344 1 712 . 1 1 67 67 PRO HG2 H 1 1.988 0.030 . 1 . . . . 67 PRO HG2 . 11344 1 713 . 1 1 67 67 PRO HG3 H 1 1.988 0.030 . 1 . . . . 67 PRO HG3 . 11344 1 714 . 1 1 67 67 PRO CA C 13 63.143 0.300 . 1 . . . . 67 PRO CA . 11344 1 715 . 1 1 67 67 PRO CB C 13 32.198 0.300 . 1 . . . . 67 PRO CB . 11344 1 716 . 1 1 67 67 PRO CD C 13 49.781 0.300 . 1 . . . . 67 PRO CD . 11344 1 717 . 1 1 67 67 PRO CG C 13 27.139 0.300 . 1 . . . . 67 PRO CG . 11344 1 stop_ save_