################################### # 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 11347 _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 11347 1 2 '3D 15N-separated NOESY' 1 $sample_1 isotropic 11347 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 . . 11347 1 2 $NMRPipe . . 11347 1 3 $NMRVIEW . . 11347 1 4 $Kujira . . 11347 1 5 $CYANA . . 11347 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 6 6 SER HA H 1 4.419 0.030 . 1 . . . . 6 SER HA . 11347 1 2 . 1 1 6 6 SER HB2 H 1 3.844 0.030 . 1 . . . . 6 SER HB2 . 11347 1 3 . 1 1 6 6 SER HB3 H 1 3.844 0.030 . 1 . . . . 6 SER HB3 . 11347 1 4 . 1 1 6 6 SER C C 13 174.977 0.300 . 1 . . . . 6 SER C . 11347 1 5 . 1 1 6 6 SER CA C 13 58.582 0.300 . 1 . . . . 6 SER CA . 11347 1 6 . 1 1 6 6 SER CB C 13 63.802 0.300 . 1 . . . . 6 SER CB . 11347 1 7 . 1 1 7 7 GLY H H 1 8.352 0.030 . 1 . . . . 7 GLY H . 11347 1 8 . 1 1 7 7 GLY HA2 H 1 3.882 0.030 . 1 . . . . 7 GLY HA2 . 11347 1 9 . 1 1 7 7 GLY HA3 H 1 3.882 0.030 . 1 . . . . 7 GLY HA3 . 11347 1 10 . 1 1 7 7 GLY C C 13 173.597 0.300 . 1 . . . . 7 GLY C . 11347 1 11 . 1 1 7 7 GLY CA C 13 45.257 0.300 . 1 . . . . 7 GLY CA . 11347 1 12 . 1 1 7 7 GLY N N 15 110.681 0.300 . 1 . . . . 7 GLY N . 11347 1 13 . 1 1 8 8 HIS H H 1 8.064 0.030 . 1 . . . . 8 HIS H . 11347 1 14 . 1 1 8 8 HIS HA H 1 4.730 0.030 . 1 . . . . 8 HIS HA . 11347 1 15 . 1 1 8 8 HIS HB2 H 1 2.867 0.030 . 2 . . . . 8 HIS HB2 . 11347 1 16 . 1 1 8 8 HIS HB3 H 1 3.182 0.030 . 2 . . . . 8 HIS HB3 . 11347 1 17 . 1 1 8 8 HIS HD2 H 1 7.192 0.030 . 1 . . . . 8 HIS HD2 . 11347 1 18 . 1 1 8 8 HIS HE1 H 1 8.339 0.030 . 1 . . . . 8 HIS HE1 . 11347 1 19 . 1 1 8 8 HIS C C 13 174.756 0.300 . 1 . . . . 8 HIS C . 11347 1 20 . 1 1 8 8 HIS CA C 13 55.898 0.300 . 1 . . . . 8 HIS CA . 11347 1 21 . 1 1 8 8 HIS CB C 13 31.280 0.300 . 1 . . . . 8 HIS CB . 11347 1 22 . 1 1 8 8 HIS CD2 C 13 120.087 0.300 . 1 . . . . 8 HIS CD2 . 11347 1 23 . 1 1 8 8 HIS CE1 C 13 137.088 0.300 . 1 . . . . 8 HIS CE1 . 11347 1 24 . 1 1 8 8 HIS N N 15 117.343 0.300 . 1 . . . . 8 HIS N . 11347 1 25 . 1 1 9 9 GLU H H 1 8.633 0.030 . 1 . . . . 9 GLU H . 11347 1 26 . 1 1 9 9 GLU HA H 1 4.097 0.030 . 1 . . . . 9 GLU HA . 11347 1 27 . 1 1 9 9 GLU HB2 H 1 1.851 0.030 . 1 . . . . 9 GLU HB2 . 11347 1 28 . 1 1 9 9 GLU HB3 H 1 1.851 0.030 . 1 . . . . 9 GLU HB3 . 11347 1 29 . 1 1 9 9 GLU HG2 H 1 2.167 0.030 . 1 . . . . 9 GLU HG2 . 11347 1 30 . 1 1 9 9 GLU HG3 H 1 2.167 0.030 . 1 . . . . 9 GLU HG3 . 11347 1 31 . 1 1 9 9 GLU C C 13 174.853 0.300 . 1 . . . . 9 GLU C . 11347 1 32 . 1 1 9 9 GLU CA C 13 56.370 0.300 . 1 . . . . 9 GLU CA . 11347 1 33 . 1 1 9 9 GLU CB C 13 30.620 0.300 . 1 . . . . 9 GLU CB . 11347 1 34 . 1 1 9 9 GLU CG C 13 36.921 0.300 . 1 . . . . 9 GLU CG . 11347 1 35 . 1 1 9 9 GLU N N 15 121.049 0.300 . 1 . . . . 9 GLU N . 11347 1 36 . 1 1 10 10 ASP H H 1 8.058 0.030 . 1 . . . . 10 ASP H . 11347 1 37 . 1 1 10 10 ASP HA H 1 4.369 0.030 . 1 . . . . 10 ASP HA . 11347 1 38 . 1 1 10 10 ASP HB2 H 1 2.118 0.030 . 2 . . . . 10 ASP HB2 . 11347 1 39 . 1 1 10 10 ASP HB3 H 1 2.068 0.030 . 2 . . . . 10 ASP HB3 . 11347 1 40 . 1 1 10 10 ASP C C 13 174.350 0.300 . 1 . . . . 10 ASP C . 11347 1 41 . 1 1 10 10 ASP CA C 13 53.805 0.300 . 1 . . . . 10 ASP CA . 11347 1 42 . 1 1 10 10 ASP CB C 13 41.969 0.300 . 1 . . . . 10 ASP CB . 11347 1 43 . 1 1 10 10 ASP N N 15 117.573 0.300 . 1 . . . . 10 ASP N . 11347 1 44 . 1 1 11 11 PHE H H 1 7.087 0.030 . 1 . . . . 11 PHE H . 11347 1 45 . 1 1 11 11 PHE HA H 1 4.300 0.030 . 1 . . . . 11 PHE HA . 11347 1 46 . 1 1 11 11 PHE HB2 H 1 2.467 0.030 . 2 . . . . 11 PHE HB2 . 11347 1 47 . 1 1 11 11 PHE HB3 H 1 2.410 0.030 . 2 . . . . 11 PHE HB3 . 11347 1 48 . 1 1 11 11 PHE HD1 H 1 6.948 0.030 . 1 . . . . 11 PHE HD1 . 11347 1 49 . 1 1 11 11 PHE HD2 H 1 6.948 0.030 . 1 . . . . 11 PHE HD2 . 11347 1 50 . 1 1 11 11 PHE HE1 H 1 7.240 0.030 . 1 . . . . 11 PHE HE1 . 11347 1 51 . 1 1 11 11 PHE HE2 H 1 7.240 0.030 . 1 . . . . 11 PHE HE2 . 11347 1 52 . 1 1 11 11 PHE C C 13 172.703 0.300 . 1 . . . . 11 PHE C . 11347 1 53 . 1 1 11 11 PHE CA C 13 54.851 0.300 . 1 . . . . 11 PHE CA . 11347 1 54 . 1 1 11 11 PHE CB C 13 41.419 0.300 . 1 . . . . 11 PHE CB . 11347 1 55 . 1 1 11 11 PHE CD1 C 13 132.169 0.300 . 1 . . . . 11 PHE CD1 . 11347 1 56 . 1 1 11 11 PHE CD2 C 13 132.169 0.300 . 1 . . . . 11 PHE CD2 . 11347 1 57 . 1 1 11 11 PHE CE1 C 13 130.968 0.300 . 1 . . . . 11 PHE CE1 . 11347 1 58 . 1 1 11 11 PHE CE2 C 13 130.968 0.300 . 1 . . . . 11 PHE CE2 . 11347 1 59 . 1 1 11 11 PHE N N 15 114.192 0.300 . 1 . . . . 11 PHE N . 11347 1 60 . 1 1 12 12 CYS H H 1 8.242 0.030 . 1 . . . . 12 CYS H . 11347 1 61 . 1 1 12 12 CYS HA H 1 3.817 0.030 . 1 . . . . 12 CYS HA . 11347 1 62 . 1 1 12 12 CYS HB2 H 1 3.336 0.030 . 2 . . . . 12 CYS HB2 . 11347 1 63 . 1 1 12 12 CYS HB3 H 1 2.197 0.030 . 2 . . . . 12 CYS HB3 . 11347 1 64 . 1 1 12 12 CYS C C 13 177.509 0.300 . 1 . . . . 12 CYS C . 11347 1 65 . 1 1 12 12 CYS CA C 13 58.841 0.300 . 1 . . . . 12 CYS CA . 11347 1 66 . 1 1 12 12 CYS CB C 13 31.381 0.300 . 1 . . . . 12 CYS CB . 11347 1 67 . 1 1 12 12 CYS N N 15 122.595 0.300 . 1 . . . . 12 CYS N . 11347 1 68 . 1 1 13 13 SER H H 1 8.885 0.030 . 1 . . . . 13 SER H . 11347 1 69 . 1 1 13 13 SER HA H 1 4.085 0.030 . 1 . . . . 13 SER HA . 11347 1 70 . 1 1 13 13 SER HB2 H 1 3.694 0.030 . 2 . . . . 13 SER HB2 . 11347 1 71 . 1 1 13 13 SER HB3 H 1 3.491 0.030 . 2 . . . . 13 SER HB3 . 11347 1 72 . 1 1 13 13 SER C C 13 174.221 0.300 . 1 . . . . 13 SER C . 11347 1 73 . 1 1 13 13 SER CA C 13 62.371 0.300 . 1 . . . . 13 SER CA . 11347 1 74 . 1 1 13 13 SER CB C 13 64.650 0.300 . 1 . . . . 13 SER CB . 11347 1 75 . 1 1 13 13 SER N N 15 125.797 0.300 . 1 . . . . 13 SER N . 11347 1 76 . 1 1 14 14 VAL H H 1 9.143 0.030 . 1 . . . . 14 VAL H . 11347 1 77 . 1 1 14 14 VAL HA H 1 4.055 0.030 . 1 . . . . 14 VAL HA . 11347 1 78 . 1 1 14 14 VAL HB H 1 2.283 0.030 . 1 . . . . 14 VAL HB . 11347 1 79 . 1 1 14 14 VAL HG11 H 1 1.240 0.030 . 1 . . . . 14 VAL HG1 . 11347 1 80 . 1 1 14 14 VAL HG12 H 1 1.240 0.030 . 1 . . . . 14 VAL HG1 . 11347 1 81 . 1 1 14 14 VAL HG13 H 1 1.240 0.030 . 1 . . . . 14 VAL HG1 . 11347 1 82 . 1 1 14 14 VAL HG21 H 1 1.074 0.030 . 1 . . . . 14 VAL HG2 . 11347 1 83 . 1 1 14 14 VAL HG22 H 1 1.074 0.030 . 1 . . . . 14 VAL HG2 . 11347 1 84 . 1 1 14 14 VAL HG23 H 1 1.074 0.030 . 1 . . . . 14 VAL HG2 . 11347 1 85 . 1 1 14 14 VAL C C 13 176.975 0.300 . 1 . . . . 14 VAL C . 11347 1 86 . 1 1 14 14 VAL CA C 13 65.299 0.300 . 1 . . . . 14 VAL CA . 11347 1 87 . 1 1 14 14 VAL CB C 13 33.106 0.300 . 1 . . . . 14 VAL CB . 11347 1 88 . 1 1 14 14 VAL CG1 C 13 21.590 0.300 . 2 . . . . 14 VAL CG1 . 11347 1 89 . 1 1 14 14 VAL CG2 C 13 20.463 0.300 . 2 . . . . 14 VAL CG2 . 11347 1 90 . 1 1 14 14 VAL N N 15 123.107 0.300 . 1 . . . . 14 VAL N . 11347 1 91 . 1 1 15 15 CYS H H 1 8.059 0.030 . 1 . . . . 15 CYS H . 11347 1 92 . 1 1 15 15 CYS HA H 1 4.879 0.030 . 1 . . . . 15 CYS HA . 11347 1 93 . 1 1 15 15 CYS HB2 H 1 2.895 0.030 . 2 . . . . 15 CYS HB2 . 11347 1 94 . 1 1 15 15 CYS HB3 H 1 3.247 0.030 . 2 . . . . 15 CYS HB3 . 11347 1 95 . 1 1 15 15 CYS C C 13 175.634 0.300 . 1 . . . . 15 CYS C . 11347 1 96 . 1 1 15 15 CYS CA C 13 59.020 0.300 . 1 . . . . 15 CYS CA . 11347 1 97 . 1 1 15 15 CYS CB C 13 31.657 0.300 . 1 . . . . 15 CYS CB . 11347 1 98 . 1 1 15 15 CYS N N 15 117.128 0.300 . 1 . . . . 15 CYS N . 11347 1 99 . 1 1 16 16 ARG H H 1 8.000 0.030 . 1 . . . . 16 ARG H . 11347 1 100 . 1 1 16 16 ARG HA H 1 4.070 0.030 . 1 . . . . 16 ARG HA . 11347 1 101 . 1 1 16 16 ARG HB2 H 1 2.028 0.030 . 2 . . . . 16 ARG HB2 . 11347 1 102 . 1 1 16 16 ARG HB3 H 1 1.880 0.030 . 2 . . . . 16 ARG HB3 . 11347 1 103 . 1 1 16 16 ARG HD2 H 1 3.062 0.030 . 1 . . . . 16 ARG HD2 . 11347 1 104 . 1 1 16 16 ARG HD3 H 1 3.062 0.030 . 1 . . . . 16 ARG HD3 . 11347 1 105 . 1 1 16 16 ARG HG2 H 1 1.487 0.030 . 2 . . . . 16 ARG HG2 . 11347 1 106 . 1 1 16 16 ARG HG3 H 1 1.397 0.030 . 2 . . . . 16 ARG HG3 . 11347 1 107 . 1 1 16 16 ARG C C 13 174.759 0.300 . 1 . . . . 16 ARG C . 11347 1 108 . 1 1 16 16 ARG CA C 13 57.378 0.300 . 1 . . . . 16 ARG CA . 11347 1 109 . 1 1 16 16 ARG CB C 13 26.207 0.300 . 1 . . . . 16 ARG CB . 11347 1 110 . 1 1 16 16 ARG CD C 13 42.468 0.300 . 1 . . . . 16 ARG CD . 11347 1 111 . 1 1 16 16 ARG CG C 13 27.187 0.300 . 1 . . . . 16 ARG CG . 11347 1 112 . 1 1 16 16 ARG N N 15 116.395 0.300 . 1 . . . . 16 ARG N . 11347 1 113 . 1 1 17 17 LYS H H 1 8.276 0.030 . 1 . . . . 17 LYS H . 11347 1 114 . 1 1 17 17 LYS HA H 1 4.943 0.030 . 1 . . . . 17 LYS HA . 11347 1 115 . 1 1 17 17 LYS HB2 H 1 2.143 0.030 . 1 . . . . 17 LYS HB2 . 11347 1 116 . 1 1 17 17 LYS HB3 H 1 2.143 0.030 . 1 . . . . 17 LYS HB3 . 11347 1 117 . 1 1 17 17 LYS HD2 H 1 1.621 0.030 . 1 . . . . 17 LYS HD2 . 11347 1 118 . 1 1 17 17 LYS HD3 H 1 1.621 0.030 . 1 . . . . 17 LYS HD3 . 11347 1 119 . 1 1 17 17 LYS HE2 H 1 2.965 0.030 . 1 . . . . 17 LYS HE2 . 11347 1 120 . 1 1 17 17 LYS HE3 H 1 2.965 0.030 . 1 . . . . 17 LYS HE3 . 11347 1 121 . 1 1 17 17 LYS HG2 H 1 1.570 0.030 . 2 . . . . 17 LYS HG2 . 11347 1 122 . 1 1 17 17 LYS HG3 H 1 1.439 0.030 . 2 . . . . 17 LYS HG3 . 11347 1 123 . 1 1 17 17 LYS C C 13 176.906 0.300 . 1 . . . . 17 LYS C . 11347 1 124 . 1 1 17 17 LYS CA C 13 55.527 0.300 . 1 . . . . 17 LYS CA . 11347 1 125 . 1 1 17 17 LYS CB C 13 34.825 0.300 . 1 . . . . 17 LYS CB . 11347 1 126 . 1 1 17 17 LYS CD C 13 29.000 0.300 . 1 . . . . 17 LYS CD . 11347 1 127 . 1 1 17 17 LYS CE C 13 42.222 0.300 . 1 . . . . 17 LYS CE . 11347 1 128 . 1 1 17 17 LYS CG C 13 25.386 0.300 . 1 . . . . 17 LYS CG . 11347 1 129 . 1 1 17 17 LYS N N 15 118.565 0.300 . 1 . . . . 17 LYS N . 11347 1 130 . 1 1 18 18 SER H H 1 8.634 0.030 . 1 . . . . 18 SER H . 11347 1 131 . 1 1 18 18 SER HA H 1 4.673 0.030 . 1 . . . . 18 SER HA . 11347 1 132 . 1 1 18 18 SER HB2 H 1 4.006 0.030 . 2 . . . . 18 SER HB2 . 11347 1 133 . 1 1 18 18 SER HB3 H 1 3.828 0.030 . 2 . . . . 18 SER HB3 . 11347 1 134 . 1 1 18 18 SER C C 13 174.796 0.300 . 1 . . . . 18 SER C . 11347 1 135 . 1 1 18 18 SER CA C 13 56.896 0.300 . 1 . . . . 18 SER CA . 11347 1 136 . 1 1 18 18 SER CB C 13 63.998 0.300 . 1 . . . . 18 SER CB . 11347 1 137 . 1 1 18 18 SER N N 15 115.679 0.300 . 1 . . . . 18 SER N . 11347 1 138 . 1 1 19 19 GLY H H 1 8.437 0.030 . 1 . . . . 19 GLY H . 11347 1 139 . 1 1 19 19 GLY HA2 H 1 3.719 0.030 . 2 . . . . 19 GLY HA2 . 11347 1 140 . 1 1 19 19 GLY HA3 H 1 4.521 0.030 . 2 . . . . 19 GLY HA3 . 11347 1 141 . 1 1 19 19 GLY C C 13 171.869 0.300 . 1 . . . . 19 GLY C . 11347 1 142 . 1 1 19 19 GLY CA C 13 45.017 0.300 . 1 . . . . 19 GLY CA . 11347 1 143 . 1 1 19 19 GLY N N 15 108.923 0.300 . 1 . . . . 19 GLY N . 11347 1 144 . 1 1 20 20 GLN H H 1 8.826 0.030 . 1 . . . . 20 GLN H . 11347 1 145 . 1 1 20 20 GLN HA H 1 4.207 0.030 . 1 . . . . 20 GLN HA . 11347 1 146 . 1 1 20 20 GLN HB2 H 1 2.041 0.030 . 2 . . . . 20 GLN HB2 . 11347 1 147 . 1 1 20 20 GLN HB3 H 1 1.986 0.030 . 2 . . . . 20 GLN HB3 . 11347 1 148 . 1 1 20 20 GLN HE21 H 1 7.538 0.030 . 2 . . . . 20 GLN HE21 . 11347 1 149 . 1 1 20 20 GLN HE22 H 1 6.854 0.030 . 2 . . . . 20 GLN HE22 . 11347 1 150 . 1 1 20 20 GLN HG2 H 1 2.266 0.030 . 2 . . . . 20 GLN HG2 . 11347 1 151 . 1 1 20 20 GLN HG3 H 1 2.175 0.030 . 2 . . . . 20 GLN HG3 . 11347 1 152 . 1 1 20 20 GLN C C 13 174.856 0.300 . 1 . . . . 20 GLN C . 11347 1 153 . 1 1 20 20 GLN CA C 13 55.926 0.300 . 1 . . . . 20 GLN CA . 11347 1 154 . 1 1 20 20 GLN CB C 13 27.845 0.300 . 1 . . . . 20 GLN CB . 11347 1 155 . 1 1 20 20 GLN CG C 13 33.845 0.300 . 1 . . . . 20 GLN CG . 11347 1 156 . 1 1 20 20 GLN N N 15 124.345 0.300 . 1 . . . . 20 GLN N . 11347 1 157 . 1 1 20 20 GLN NE2 N 15 112.437 0.300 . 1 . . . . 20 GLN NE2 . 11347 1 158 . 1 1 21 21 LEU H H 1 8.056 0.030 . 1 . . . . 21 LEU H . 11347 1 159 . 1 1 21 21 LEU HA H 1 4.396 0.030 . 1 . . . . 21 LEU HA . 11347 1 160 . 1 1 21 21 LEU HB2 H 1 0.857 0.030 . 2 . . . . 21 LEU HB2 . 11347 1 161 . 1 1 21 21 LEU HB3 H 1 1.377 0.030 . 2 . . . . 21 LEU HB3 . 11347 1 162 . 1 1 21 21 LEU HD11 H 1 0.443 0.030 . 1 . . . . 21 LEU HD1 . 11347 1 163 . 1 1 21 21 LEU HD12 H 1 0.443 0.030 . 1 . . . . 21 LEU HD1 . 11347 1 164 . 1 1 21 21 LEU HD13 H 1 0.443 0.030 . 1 . . . . 21 LEU HD1 . 11347 1 165 . 1 1 21 21 LEU HD21 H 1 -0.190 0.030 . 1 . . . . 21 LEU HD2 . 11347 1 166 . 1 1 21 21 LEU HD22 H 1 -0.190 0.030 . 1 . . . . 21 LEU HD2 . 11347 1 167 . 1 1 21 21 LEU HD23 H 1 -0.190 0.030 . 1 . . . . 21 LEU HD2 . 11347 1 168 . 1 1 21 21 LEU HG H 1 1.103 0.030 . 1 . . . . 21 LEU HG . 11347 1 169 . 1 1 21 21 LEU C C 13 175.595 0.300 . 1 . . . . 21 LEU C . 11347 1 170 . 1 1 21 21 LEU CA C 13 53.638 0.300 . 1 . . . . 21 LEU CA . 11347 1 171 . 1 1 21 21 LEU CB C 13 44.357 0.300 . 1 . . . . 21 LEU CB . 11347 1 172 . 1 1 21 21 LEU CD1 C 13 25.920 0.300 . 2 . . . . 21 LEU CD1 . 11347 1 173 . 1 1 21 21 LEU CD2 C 13 21.937 0.300 . 2 . . . . 21 LEU CD2 . 11347 1 174 . 1 1 21 21 LEU CG C 13 25.433 0.300 . 1 . . . . 21 LEU CG . 11347 1 175 . 1 1 21 21 LEU N N 15 125.928 0.300 . 1 . . . . 21 LEU N . 11347 1 176 . 1 1 22 22 LEU H H 1 9.006 0.030 . 1 . . . . 22 LEU H . 11347 1 177 . 1 1 22 22 LEU HA H 1 4.270 0.030 . 1 . . . . 22 LEU HA . 11347 1 178 . 1 1 22 22 LEU HB2 H 1 0.863 0.030 . 2 . . . . 22 LEU HB2 . 11347 1 179 . 1 1 22 22 LEU HB3 H 1 1.181 0.030 . 2 . . . . 22 LEU HB3 . 11347 1 180 . 1 1 22 22 LEU HD11 H 1 0.334 0.030 . 1 . . . . 22 LEU HD1 . 11347 1 181 . 1 1 22 22 LEU HD12 H 1 0.334 0.030 . 1 . . . . 22 LEU HD1 . 11347 1 182 . 1 1 22 22 LEU HD13 H 1 0.334 0.030 . 1 . . . . 22 LEU HD1 . 11347 1 183 . 1 1 22 22 LEU HD21 H 1 -0.640 0.030 . 1 . . . . 22 LEU HD2 . 11347 1 184 . 1 1 22 22 LEU HD22 H 1 -0.640 0.030 . 1 . . . . 22 LEU HD2 . 11347 1 185 . 1 1 22 22 LEU HD23 H 1 -0.640 0.030 . 1 . . . . 22 LEU HD2 . 11347 1 186 . 1 1 22 22 LEU HG H 1 0.822 0.030 . 1 . . . . 22 LEU HG . 11347 1 187 . 1 1 22 22 LEU C C 13 175.088 0.300 . 1 . . . . 22 LEU C . 11347 1 188 . 1 1 22 22 LEU CA C 13 53.789 0.300 . 1 . . . . 22 LEU CA . 11347 1 189 . 1 1 22 22 LEU CB C 13 43.895 0.300 . 1 . . . . 22 LEU CB . 11347 1 190 . 1 1 22 22 LEU CD1 C 13 23.587 0.300 . 2 . . . . 22 LEU CD1 . 11347 1 191 . 1 1 22 22 LEU CD2 C 13 24.750 0.300 . 2 . . . . 22 LEU CD2 . 11347 1 192 . 1 1 22 22 LEU CG C 13 26.756 0.300 . 1 . . . . 22 LEU CG . 11347 1 193 . 1 1 22 22 LEU N N 15 125.743 0.300 . 1 . . . . 22 LEU N . 11347 1 194 . 1 1 23 23 MET H H 1 8.484 0.030 . 1 . . . . 23 MET H . 11347 1 195 . 1 1 23 23 MET HA H 1 4.875 0.030 . 1 . . . . 23 MET HA . 11347 1 196 . 1 1 23 23 MET HB2 H 1 1.726 0.030 . 1 . . . . 23 MET HB2 . 11347 1 197 . 1 1 23 23 MET HB3 H 1 1.726 0.030 . 1 . . . . 23 MET HB3 . 11347 1 198 . 1 1 23 23 MET HE1 H 1 1.922 0.030 . 1 . . . . 23 MET HE . 11347 1 199 . 1 1 23 23 MET HE2 H 1 1.922 0.030 . 1 . . . . 23 MET HE . 11347 1 200 . 1 1 23 23 MET HE3 H 1 1.922 0.030 . 1 . . . . 23 MET HE . 11347 1 201 . 1 1 23 23 MET HG2 H 1 2.263 0.030 . 2 . . . . 23 MET HG2 . 11347 1 202 . 1 1 23 23 MET HG3 H 1 2.074 0.030 . 2 . . . . 23 MET HG3 . 11347 1 203 . 1 1 23 23 MET C C 13 174.978 0.300 . 1 . . . . 23 MET C . 11347 1 204 . 1 1 23 23 MET CA C 13 54.541 0.300 . 1 . . . . 23 MET CA . 11347 1 205 . 1 1 23 23 MET CB C 13 34.635 0.300 . 1 . . . . 23 MET CB . 11347 1 206 . 1 1 23 23 MET CE C 13 17.124 0.300 . 1 . . . . 23 MET CE . 11347 1 207 . 1 1 23 23 MET CG C 13 31.340 0.300 . 1 . . . . 23 MET CG . 11347 1 208 . 1 1 23 23 MET N N 15 124.065 0.300 . 1 . . . . 23 MET N . 11347 1 209 . 1 1 24 24 CYS H H 1 8.760 0.030 . 1 . . . . 24 CYS H . 11347 1 210 . 1 1 24 24 CYS HA H 1 4.702 0.030 . 1 . . . . 24 CYS HA . 11347 1 211 . 1 1 24 24 CYS HB2 H 1 2.645 0.030 . 2 . . . . 24 CYS HB2 . 11347 1 212 . 1 1 24 24 CYS HB3 H 1 3.510 0.030 . 2 . . . . 24 CYS HB3 . 11347 1 213 . 1 1 24 24 CYS C C 13 177.260 0.300 . 1 . . . . 24 CYS C . 11347 1 214 . 1 1 24 24 CYS CA C 13 60.551 0.300 . 1 . . . . 24 CYS CA . 11347 1 215 . 1 1 24 24 CYS CB C 13 31.417 0.300 . 1 . . . . 24 CYS CB . 11347 1 216 . 1 1 24 24 CYS N N 15 126.240 0.300 . 1 . . . . 24 CYS N . 11347 1 217 . 1 1 25 25 ASP H H 1 9.298 0.030 . 1 . . . . 25 ASP H . 11347 1 218 . 1 1 25 25 ASP HA H 1 4.781 0.030 . 1 . . . . 25 ASP HA . 11347 1 219 . 1 1 25 25 ASP HB2 H 1 2.671 0.030 . 1 . . . . 25 ASP HB2 . 11347 1 220 . 1 1 25 25 ASP HB3 H 1 2.671 0.030 . 1 . . . . 25 ASP HB3 . 11347 1 221 . 1 1 25 25 ASP C C 13 177.120 0.300 . 1 . . . . 25 ASP C . 11347 1 222 . 1 1 25 25 ASP CA C 13 57.990 0.300 . 1 . . . . 25 ASP CA . 11347 1 223 . 1 1 25 25 ASP CB C 13 42.958 0.300 . 1 . . . . 25 ASP CB . 11347 1 224 . 1 1 25 25 ASP N N 15 129.175 0.300 . 1 . . . . 25 ASP N . 11347 1 225 . 1 1 26 26 THR H H 1 9.733 0.030 . 1 . . . . 26 THR H . 11347 1 226 . 1 1 26 26 THR HA H 1 4.491 0.030 . 1 . . . . 26 THR HA . 11347 1 227 . 1 1 26 26 THR HB H 1 4.523 0.030 . 1 . . . . 26 THR HB . 11347 1 228 . 1 1 26 26 THR HG21 H 1 1.037 0.030 . 1 . . . . 26 THR HG2 . 11347 1 229 . 1 1 26 26 THR HG22 H 1 1.037 0.030 . 1 . . . . 26 THR HG2 . 11347 1 230 . 1 1 26 26 THR HG23 H 1 1.037 0.030 . 1 . . . . 26 THR HG2 . 11347 1 231 . 1 1 26 26 THR C C 13 174.760 0.300 . 1 . . . . 26 THR C . 11347 1 232 . 1 1 26 26 THR CA C 13 63.476 0.300 . 1 . . . . 26 THR CA . 11347 1 233 . 1 1 26 26 THR CB C 13 69.466 0.300 . 1 . . . . 26 THR CB . 11347 1 234 . 1 1 26 26 THR CG2 C 13 22.265 0.300 . 1 . . . . 26 THR CG2 . 11347 1 235 . 1 1 26 26 THR N N 15 115.115 0.300 . 1 . . . . 26 THR N . 11347 1 236 . 1 1 27 27 CYS H H 1 8.346 0.030 . 1 . . . . 27 CYS H . 11347 1 237 . 1 1 27 27 CYS HA H 1 4.897 0.030 . 1 . . . . 27 CYS HA . 11347 1 238 . 1 1 27 27 CYS HB2 H 1 2.656 0.030 . 2 . . . . 27 CYS HB2 . 11347 1 239 . 1 1 27 27 CYS HB3 H 1 3.127 0.030 . 2 . . . . 27 CYS HB3 . 11347 1 240 . 1 1 27 27 CYS C C 13 174.985 0.300 . 1 . . . . 27 CYS C . 11347 1 241 . 1 1 27 27 CYS CA C 13 58.894 0.300 . 1 . . . . 27 CYS CA . 11347 1 242 . 1 1 27 27 CYS CB C 13 31.826 0.300 . 1 . . . . 27 CYS CB . 11347 1 243 . 1 1 27 27 CYS N N 15 123.675 0.300 . 1 . . . . 27 CYS N . 11347 1 244 . 1 1 28 28 SER H H 1 7.666 0.030 . 1 . . . . 28 SER H . 11347 1 245 . 1 1 28 28 SER HA H 1 4.239 0.030 . 1 . . . . 28 SER HA . 11347 1 246 . 1 1 28 28 SER HB2 H 1 4.091 0.030 . 2 . . . . 28 SER HB2 . 11347 1 247 . 1 1 28 28 SER HB3 H 1 3.873 0.030 . 2 . . . . 28 SER HB3 . 11347 1 248 . 1 1 28 28 SER C C 13 173.794 0.300 . 1 . . . . 28 SER C . 11347 1 249 . 1 1 28 28 SER CA C 13 59.943 0.300 . 1 . . . . 28 SER CA . 11347 1 250 . 1 1 28 28 SER CB C 13 63.356 0.300 . 1 . . . . 28 SER CB . 11347 1 251 . 1 1 28 28 SER N N 15 111.671 0.300 . 1 . . . . 28 SER N . 11347 1 252 . 1 1 29 29 ARG H H 1 9.362 0.030 . 1 . . . . 29 ARG H . 11347 1 253 . 1 1 29 29 ARG HA H 1 4.126 0.030 . 1 . . . . 29 ARG HA . 11347 1 254 . 1 1 29 29 ARG HB2 H 1 2.016 0.030 . 2 . . . . 29 ARG HB2 . 11347 1 255 . 1 1 29 29 ARG HB3 H 1 1.573 0.030 . 2 . . . . 29 ARG HB3 . 11347 1 256 . 1 1 29 29 ARG HD2 H 1 3.220 0.030 . 1 . . . . 29 ARG HD2 . 11347 1 257 . 1 1 29 29 ARG HD3 H 1 3.220 0.030 . 1 . . . . 29 ARG HD3 . 11347 1 258 . 1 1 29 29 ARG HG2 H 1 2.024 0.030 . 2 . . . . 29 ARG HG2 . 11347 1 259 . 1 1 29 29 ARG HG3 H 1 1.553 0.030 . 2 . . . . 29 ARG HG3 . 11347 1 260 . 1 1 29 29 ARG C C 13 175.506 0.300 . 1 . . . . 29 ARG C . 11347 1 261 . 1 1 29 29 ARG CA C 13 58.415 0.300 . 1 . . . . 29 ARG CA . 11347 1 262 . 1 1 29 29 ARG CB C 13 31.868 0.300 . 1 . . . . 29 ARG CB . 11347 1 263 . 1 1 29 29 ARG CD C 13 44.207 0.300 . 1 . . . . 29 ARG CD . 11347 1 264 . 1 1 29 29 ARG CG C 13 29.985 0.300 . 1 . . . . 29 ARG CG . 11347 1 265 . 1 1 29 29 ARG N N 15 124.870 0.300 . 1 . . . . 29 ARG N . 11347 1 266 . 1 1 30 30 VAL H H 1 8.095 0.030 . 1 . . . . 30 VAL H . 11347 1 267 . 1 1 30 30 VAL HA H 1 5.561 0.030 . 1 . . . . 30 VAL HA . 11347 1 268 . 1 1 30 30 VAL HB H 1 1.726 0.030 . 1 . . . . 30 VAL HB . 11347 1 269 . 1 1 30 30 VAL HG11 H 1 0.827 0.030 . 1 . . . . 30 VAL HG1 . 11347 1 270 . 1 1 30 30 VAL HG12 H 1 0.827 0.030 . 1 . . . . 30 VAL HG1 . 11347 1 271 . 1 1 30 30 VAL HG13 H 1 0.827 0.030 . 1 . . . . 30 VAL HG1 . 11347 1 272 . 1 1 30 30 VAL HG21 H 1 0.430 0.030 . 1 . . . . 30 VAL HG2 . 11347 1 273 . 1 1 30 30 VAL HG22 H 1 0.430 0.030 . 1 . . . . 30 VAL HG2 . 11347 1 274 . 1 1 30 30 VAL HG23 H 1 0.430 0.030 . 1 . . . . 30 VAL HG2 . 11347 1 275 . 1 1 30 30 VAL C C 13 175.637 0.300 . 1 . . . . 30 VAL C . 11347 1 276 . 1 1 30 30 VAL CA C 13 58.243 0.300 . 1 . . . . 30 VAL CA . 11347 1 277 . 1 1 30 30 VAL CB C 13 34.734 0.300 . 1 . . . . 30 VAL CB . 11347 1 278 . 1 1 30 30 VAL CG1 C 13 23.175 0.300 . 2 . . . . 30 VAL CG1 . 11347 1 279 . 1 1 30 30 VAL CG2 C 13 20.445 0.300 . 2 . . . . 30 VAL CG2 . 11347 1 280 . 1 1 30 30 VAL N N 15 110.954 0.300 . 1 . . . . 30 VAL N . 11347 1 281 . 1 1 31 31 TYR H H 1 8.814 0.030 . 1 . . . . 31 TYR H . 11347 1 282 . 1 1 31 31 TYR HA H 1 5.611 0.030 . 1 . . . . 31 TYR HA . 11347 1 283 . 1 1 31 31 TYR HB2 H 1 2.967 0.030 . 2 . . . . 31 TYR HB2 . 11347 1 284 . 1 1 31 31 TYR HB3 H 1 2.409 0.030 . 2 . . . . 31 TYR HB3 . 11347 1 285 . 1 1 31 31 TYR HD1 H 1 7.096 0.030 . 1 . . . . 31 TYR HD1 . 11347 1 286 . 1 1 31 31 TYR HD2 H 1 7.096 0.030 . 1 . . . . 31 TYR HD2 . 11347 1 287 . 1 1 31 31 TYR HE1 H 1 6.780 0.030 . 1 . . . . 31 TYR HE1 . 11347 1 288 . 1 1 31 31 TYR HE2 H 1 6.780 0.030 . 1 . . . . 31 TYR HE2 . 11347 1 289 . 1 1 31 31 TYR C C 13 176.870 0.300 . 1 . . . . 31 TYR C . 11347 1 290 . 1 1 31 31 TYR CA C 13 57.187 0.300 . 1 . . . . 31 TYR CA . 11347 1 291 . 1 1 31 31 TYR CB C 13 44.289 0.300 . 1 . . . . 31 TYR CB . 11347 1 292 . 1 1 31 31 TYR CD1 C 13 133.579 0.300 . 1 . . . . 31 TYR CD1 . 11347 1 293 . 1 1 31 31 TYR CD2 C 13 133.579 0.300 . 1 . . . . 31 TYR CD2 . 11347 1 294 . 1 1 31 31 TYR CE1 C 13 118.626 0.300 . 1 . . . . 31 TYR CE1 . 11347 1 295 . 1 1 31 31 TYR CE2 C 13 118.626 0.300 . 1 . . . . 31 TYR CE2 . 11347 1 296 . 1 1 31 31 TYR N N 15 118.005 0.300 . 1 . . . . 31 TYR N . 11347 1 297 . 1 1 32 32 HIS H H 1 8.352 0.030 . 1 . . . . 32 HIS H . 11347 1 298 . 1 1 32 32 HIS HA H 1 4.844 0.030 . 1 . . . . 32 HIS HA . 11347 1 299 . 1 1 32 32 HIS HB2 H 1 3.623 0.030 . 2 . . . . 32 HIS HB2 . 11347 1 300 . 1 1 32 32 HIS HB3 H 1 3.568 0.030 . 2 . . . . 32 HIS HB3 . 11347 1 301 . 1 1 32 32 HIS HD2 H 1 7.341 0.030 . 1 . . . . 32 HIS HD2 . 11347 1 302 . 1 1 32 32 HIS HE1 H 1 7.304 0.030 . 1 . . . . 32 HIS HE1 . 11347 1 303 . 1 1 32 32 HIS C C 13 177.545 0.300 . 1 . . . . 32 HIS C . 11347 1 304 . 1 1 32 32 HIS CA C 13 58.483 0.300 . 1 . . . . 32 HIS CA . 11347 1 305 . 1 1 32 32 HIS CB C 13 31.271 0.300 . 1 . . . . 32 HIS CB . 11347 1 306 . 1 1 32 32 HIS CD2 C 13 119.039 0.300 . 1 . . . . 32 HIS CD2 . 11347 1 307 . 1 1 32 32 HIS CE1 C 13 138.669 0.300 . 1 . . . . 32 HIS CE1 . 11347 1 308 . 1 1 32 32 HIS N N 15 121.008 0.300 . 1 . . . . 32 HIS N . 11347 1 309 . 1 1 33 33 LEU H H 1 9.096 0.030 . 1 . . . . 33 LEU H . 11347 1 310 . 1 1 33 33 LEU HA H 1 3.755 0.030 . 1 . . . . 33 LEU HA . 11347 1 311 . 1 1 33 33 LEU HB2 H 1 1.513 0.030 . 2 . . . . 33 LEU HB2 . 11347 1 312 . 1 1 33 33 LEU HB3 H 1 1.785 0.030 . 2 . . . . 33 LEU HB3 . 11347 1 313 . 1 1 33 33 LEU HD11 H 1 0.608 0.030 . 1 . . . . 33 LEU HD1 . 11347 1 314 . 1 1 33 33 LEU HD12 H 1 0.608 0.030 . 1 . . . . 33 LEU HD1 . 11347 1 315 . 1 1 33 33 LEU HD13 H 1 0.608 0.030 . 1 . . . . 33 LEU HD1 . 11347 1 316 . 1 1 33 33 LEU HD21 H 1 0.509 0.030 . 1 . . . . 33 LEU HD2 . 11347 1 317 . 1 1 33 33 LEU HD22 H 1 0.509 0.030 . 1 . . . . 33 LEU HD2 . 11347 1 318 . 1 1 33 33 LEU HD23 H 1 0.509 0.030 . 1 . . . . 33 LEU HD2 . 11347 1 319 . 1 1 33 33 LEU HG H 1 1.653 0.030 . 1 . . . . 33 LEU HG . 11347 1 320 . 1 1 33 33 LEU C C 13 178.523 0.300 . 1 . . . . 33 LEU C . 11347 1 321 . 1 1 33 33 LEU CA C 13 58.922 0.300 . 1 . . . . 33 LEU CA . 11347 1 322 . 1 1 33 33 LEU CB C 13 40.156 0.300 . 1 . . . . 33 LEU CB . 11347 1 323 . 1 1 33 33 LEU CD1 C 13 25.100 0.300 . 2 . . . . 33 LEU CD1 . 11347 1 324 . 1 1 33 33 LEU CD2 C 13 23.744 0.300 . 2 . . . . 33 LEU CD2 . 11347 1 325 . 1 1 33 33 LEU CG C 13 27.521 0.300 . 1 . . . . 33 LEU CG . 11347 1 326 . 1 1 33 33 LEU N N 15 122.860 0.300 . 1 . . . . 33 LEU N . 11347 1 327 . 1 1 34 34 ASP H H 1 8.158 0.030 . 1 . . . . 34 ASP H . 11347 1 328 . 1 1 34 34 ASP HA H 1 4.663 0.030 . 1 . . . . 34 ASP HA . 11347 1 329 . 1 1 34 34 ASP HB2 H 1 2.721 0.030 . 2 . . . . 34 ASP HB2 . 11347 1 330 . 1 1 34 34 ASP HB3 H 1 2.698 0.030 . 2 . . . . 34 ASP HB3 . 11347 1 331 . 1 1 34 34 ASP C C 13 176.649 0.300 . 1 . . . . 34 ASP C . 11347 1 332 . 1 1 34 34 ASP CA C 13 54.136 0.300 . 1 . . . . 34 ASP CA . 11347 1 333 . 1 1 34 34 ASP CB C 13 40.005 0.300 . 1 . . . . 34 ASP CB . 11347 1 334 . 1 1 34 34 ASP N N 15 109.773 0.300 . 1 . . . . 34 ASP N . 11347 1 335 . 1 1 35 35 CYS H H 1 7.548 0.030 . 1 . . . . 35 CYS H . 11347 1 336 . 1 1 35 35 CYS HA H 1 4.407 0.030 . 1 . . . . 35 CYS HA . 11347 1 337 . 1 1 35 35 CYS HB2 H 1 2.925 0.030 . 2 . . . . 35 CYS HB2 . 11347 1 338 . 1 1 35 35 CYS HB3 H 1 3.311 0.030 . 2 . . . . 35 CYS HB3 . 11347 1 339 . 1 1 35 35 CYS C C 13 174.644 0.300 . 1 . . . . 35 CYS C . 11347 1 340 . 1 1 35 35 CYS CA C 13 61.458 0.300 . 1 . . . . 35 CYS CA . 11347 1 341 . 1 1 35 35 CYS CB C 13 29.993 0.300 . 1 . . . . 35 CYS CB . 11347 1 342 . 1 1 35 35 CYS N N 15 117.355 0.300 . 1 . . . . 35 CYS N . 11347 1 343 . 1 1 36 36 LEU H H 1 6.585 0.030 . 1 . . . . 36 LEU H . 11347 1 344 . 1 1 36 36 LEU HA H 1 4.154 0.030 . 1 . . . . 36 LEU HA . 11347 1 345 . 1 1 36 36 LEU HB2 H 1 1.403 0.030 . 2 . . . . 36 LEU HB2 . 11347 1 346 . 1 1 36 36 LEU HB3 H 1 1.745 0.030 . 2 . . . . 36 LEU HB3 . 11347 1 347 . 1 1 36 36 LEU HD11 H 1 0.786 0.030 . 1 . . . . 36 LEU HD1 . 11347 1 348 . 1 1 36 36 LEU HD12 H 1 0.786 0.030 . 1 . . . . 36 LEU HD1 . 11347 1 349 . 1 1 36 36 LEU HD13 H 1 0.786 0.030 . 1 . . . . 36 LEU HD1 . 11347 1 350 . 1 1 36 36 LEU HD21 H 1 0.555 0.030 . 1 . . . . 36 LEU HD2 . 11347 1 351 . 1 1 36 36 LEU HD22 H 1 0.555 0.030 . 1 . . . . 36 LEU HD2 . 11347 1 352 . 1 1 36 36 LEU HD23 H 1 0.555 0.030 . 1 . . . . 36 LEU HD2 . 11347 1 353 . 1 1 36 36 LEU HG H 1 1.740 0.030 . 1 . . . . 36 LEU HG . 11347 1 354 . 1 1 36 36 LEU C C 13 174.516 0.300 . 1 . . . . 36 LEU C . 11347 1 355 . 1 1 36 36 LEU CA C 13 54.544 0.300 . 1 . . . . 36 LEU CA . 11347 1 356 . 1 1 36 36 LEU CB C 13 44.142 0.300 . 1 . . . . 36 LEU CB . 11347 1 357 . 1 1 36 36 LEU CD1 C 13 26.864 0.300 . 2 . . . . 36 LEU CD1 . 11347 1 358 . 1 1 36 36 LEU CD2 C 13 23.333 0.300 . 2 . . . . 36 LEU CD2 . 11347 1 359 . 1 1 36 36 LEU CG C 13 27.011 0.300 . 1 . . . . 36 LEU CG . 11347 1 360 . 1 1 36 36 LEU N N 15 120.953 0.300 . 1 . . . . 36 LEU N . 11347 1 361 . 1 1 37 37 ASP H H 1 8.088 0.030 . 1 . . . . 37 ASP H . 11347 1 362 . 1 1 37 37 ASP HA H 1 4.832 0.030 . 1 . . . . 37 ASP HA . 11347 1 363 . 1 1 37 37 ASP HB2 H 1 2.737 0.030 . 2 . . . . 37 ASP HB2 . 11347 1 364 . 1 1 37 37 ASP HB3 H 1 2.360 0.030 . 2 . . . . 37 ASP HB3 . 11347 1 365 . 1 1 37 37 ASP C C 13 174.052 0.300 . 1 . . . . 37 ASP C . 11347 1 366 . 1 1 37 37 ASP CA C 13 50.356 0.300 . 1 . . . . 37 ASP CA . 11347 1 367 . 1 1 37 37 ASP CB C 13 43.314 0.300 . 1 . . . . 37 ASP CB . 11347 1 368 . 1 1 37 37 ASP N N 15 118.384 0.300 . 1 . . . . 37 ASP N . 11347 1 369 . 1 1 38 38 PRO HA H 1 5.114 0.030 . 1 . . . . 38 PRO HA . 11347 1 370 . 1 1 38 38 PRO HB2 H 1 2.374 0.030 . 2 . . . . 38 PRO HB2 . 11347 1 371 . 1 1 38 38 PRO HB3 H 1 1.991 0.030 . 2 . . . . 38 PRO HB3 . 11347 1 372 . 1 1 38 38 PRO HD2 H 1 3.564 0.030 . 2 . . . . 38 PRO HD2 . 11347 1 373 . 1 1 38 38 PRO HD3 H 1 3.432 0.030 . 2 . . . . 38 PRO HD3 . 11347 1 374 . 1 1 38 38 PRO HG2 H 1 1.885 0.030 . 2 . . . . 38 PRO HG2 . 11347 1 375 . 1 1 38 38 PRO HG3 H 1 1.838 0.030 . 2 . . . . 38 PRO HG3 . 11347 1 376 . 1 1 38 38 PRO CA C 13 62.061 0.300 . 1 . . . . 38 PRO CA . 11347 1 377 . 1 1 38 38 PRO CB C 13 32.899 0.300 . 1 . . . . 38 PRO CB . 11347 1 378 . 1 1 38 38 PRO CD C 13 50.071 0.300 . 1 . . . . 38 PRO CD . 11347 1 379 . 1 1 38 38 PRO CG C 13 25.062 0.300 . 1 . . . . 38 PRO CG . 11347 1 380 . 1 1 39 39 PRO HA H 1 4.373 0.030 . 1 . . . . 39 PRO HA . 11347 1 381 . 1 1 39 39 PRO HB2 H 1 2.242 0.030 . 2 . . . . 39 PRO HB2 . 11347 1 382 . 1 1 39 39 PRO HB3 H 1 1.765 0.030 . 2 . . . . 39 PRO HB3 . 11347 1 383 . 1 1 39 39 PRO HD2 H 1 3.782 0.030 . 2 . . . . 39 PRO HD2 . 11347 1 384 . 1 1 39 39 PRO HD3 H 1 3.615 0.030 . 2 . . . . 39 PRO HD3 . 11347 1 385 . 1 1 39 39 PRO HG2 H 1 2.067 0.030 . 2 . . . . 39 PRO HG2 . 11347 1 386 . 1 1 39 39 PRO HG3 H 1 1.975 0.030 . 2 . . . . 39 PRO HG3 . 11347 1 387 . 1 1 39 39 PRO C C 13 177.544 0.300 . 1 . . . . 39 PRO C . 11347 1 388 . 1 1 39 39 PRO CA C 13 63.055 0.300 . 1 . . . . 39 PRO CA . 11347 1 389 . 1 1 39 39 PRO CB C 13 32.378 0.300 . 1 . . . . 39 PRO CB . 11347 1 390 . 1 1 39 39 PRO CD C 13 50.009 0.300 . 1 . . . . 39 PRO CD . 11347 1 391 . 1 1 39 39 PRO CG C 13 27.512 0.300 . 1 . . . . 39 PRO CG . 11347 1 392 . 1 1 40 40 LEU H H 1 7.530 0.030 . 1 . . . . 40 LEU H . 11347 1 393 . 1 1 40 40 LEU HA H 1 4.473 0.030 . 1 . . . . 40 LEU HA . 11347 1 394 . 1 1 40 40 LEU HB2 H 1 1.447 0.030 . 1 . . . . 40 LEU HB2 . 11347 1 395 . 1 1 40 40 LEU HB3 H 1 1.447 0.030 . 1 . . . . 40 LEU HB3 . 11347 1 396 . 1 1 40 40 LEU HD11 H 1 0.604 0.030 . 1 . . . . 40 LEU HD1 . 11347 1 397 . 1 1 40 40 LEU HD12 H 1 0.604 0.030 . 1 . . . . 40 LEU HD1 . 11347 1 398 . 1 1 40 40 LEU HD13 H 1 0.604 0.030 . 1 . . . . 40 LEU HD1 . 11347 1 399 . 1 1 40 40 LEU HD21 H 1 0.787 0.030 . 1 . . . . 40 LEU HD2 . 11347 1 400 . 1 1 40 40 LEU HD22 H 1 0.787 0.030 . 1 . . . . 40 LEU HD2 . 11347 1 401 . 1 1 40 40 LEU HD23 H 1 0.787 0.030 . 1 . . . . 40 LEU HD2 . 11347 1 402 . 1 1 40 40 LEU HG H 1 1.670 0.030 . 1 . . . . 40 LEU HG . 11347 1 403 . 1 1 40 40 LEU C C 13 176.897 0.300 . 1 . . . . 40 LEU C . 11347 1 404 . 1 1 40 40 LEU CA C 13 53.688 0.300 . 1 . . . . 40 LEU CA . 11347 1 405 . 1 1 40 40 LEU CB C 13 43.810 0.300 . 1 . . . . 40 LEU CB . 11347 1 406 . 1 1 40 40 LEU CD1 C 13 25.140 0.300 . 2 . . . . 40 LEU CD1 . 11347 1 407 . 1 1 40 40 LEU CD2 C 13 23.004 0.300 . 2 . . . . 40 LEU CD2 . 11347 1 408 . 1 1 40 40 LEU CG C 13 27.193 0.300 . 1 . . . . 40 LEU CG . 11347 1 409 . 1 1 40 40 LEU N N 15 121.652 0.300 . 1 . . . . 40 LEU N . 11347 1 410 . 1 1 41 41 LYS H H 1 8.649 0.030 . 1 . . . . 41 LYS H . 11347 1 411 . 1 1 41 41 LYS HA H 1 4.177 0.030 . 1 . . . . 41 LYS HA . 11347 1 412 . 1 1 41 41 LYS HB2 H 1 1.834 0.030 . 2 . . . . 41 LYS HB2 . 11347 1 413 . 1 1 41 41 LYS HB3 H 1 1.696 0.030 . 2 . . . . 41 LYS HB3 . 11347 1 414 . 1 1 41 41 LYS HD2 H 1 1.588 0.030 . 1 . . . . 41 LYS HD2 . 11347 1 415 . 1 1 41 41 LYS HD3 H 1 1.588 0.030 . 1 . . . . 41 LYS HD3 . 11347 1 416 . 1 1 41 41 LYS HE2 H 1 2.929 0.030 . 1 . . . . 41 LYS HE2 . 11347 1 417 . 1 1 41 41 LYS HE3 H 1 2.929 0.030 . 1 . . . . 41 LYS HE3 . 11347 1 418 . 1 1 41 41 LYS HG2 H 1 1.441 0.030 . 2 . . . . 41 LYS HG2 . 11347 1 419 . 1 1 41 41 LYS HG3 H 1 1.337 0.030 . 2 . . . . 41 LYS HG3 . 11347 1 420 . 1 1 41 41 LYS C C 13 176.596 0.300 . 1 . . . . 41 LYS C . 11347 1 421 . 1 1 41 41 LYS CA C 13 56.713 0.300 . 1 . . . . 41 LYS CA . 11347 1 422 . 1 1 41 41 LYS CB C 13 33.396 0.300 . 1 . . . . 41 LYS CB . 11347 1 423 . 1 1 41 41 LYS CD C 13 28.589 0.300 . 1 . . . . 41 LYS CD . 11347 1 424 . 1 1 41 41 LYS CE C 13 41.976 0.300 . 1 . . . . 41 LYS CE . 11347 1 425 . 1 1 41 41 LYS CG C 13 24.811 0.300 . 1 . . . . 41 LYS CG . 11347 1 426 . 1 1 41 41 LYS N N 15 119.189 0.300 . 1 . . . . 41 LYS N . 11347 1 427 . 1 1 42 42 THR H H 1 7.215 0.030 . 1 . . . . 42 THR H . 11347 1 428 . 1 1 42 42 THR HA H 1 4.337 0.030 . 1 . . . . 42 THR HA . 11347 1 429 . 1 1 42 42 THR HB H 1 3.943 0.030 . 1 . . . . 42 THR HB . 11347 1 430 . 1 1 42 42 THR HG21 H 1 1.010 0.030 . 1 . . . . 42 THR HG2 . 11347 1 431 . 1 1 42 42 THR HG22 H 1 1.010 0.030 . 1 . . . . 42 THR HG2 . 11347 1 432 . 1 1 42 42 THR HG23 H 1 1.010 0.030 . 1 . . . . 42 THR HG2 . 11347 1 433 . 1 1 42 42 THR C C 13 172.840 0.300 . 1 . . . . 42 THR C . 11347 1 434 . 1 1 42 42 THR CA C 13 59.237 0.300 . 1 . . . . 42 THR CA . 11347 1 435 . 1 1 42 42 THR CB C 13 71.174 0.300 . 1 . . . . 42 THR CB . 11347 1 436 . 1 1 42 42 THR CG2 C 13 21.132 0.300 . 1 . . . . 42 THR CG2 . 11347 1 437 . 1 1 42 42 THR N N 15 109.759 0.300 . 1 . . . . 42 THR N . 11347 1 438 . 1 1 43 43 ILE H H 1 8.260 0.030 . 1 . . . . 43 ILE H . 11347 1 439 . 1 1 43 43 ILE HA H 1 3.883 0.030 . 1 . . . . 43 ILE HA . 11347 1 440 . 1 1 43 43 ILE HB H 1 1.681 0.030 . 1 . . . . 43 ILE HB . 11347 1 441 . 1 1 43 43 ILE HD11 H 1 0.745 0.030 . 1 . . . . 43 ILE HD1 . 11347 1 442 . 1 1 43 43 ILE HD12 H 1 0.745 0.030 . 1 . . . . 43 ILE HD1 . 11347 1 443 . 1 1 43 43 ILE HD13 H 1 0.745 0.030 . 1 . . . . 43 ILE HD1 . 11347 1 444 . 1 1 43 43 ILE HG12 H 1 1.516 0.030 . 2 . . . . 43 ILE HG12 . 11347 1 445 . 1 1 43 43 ILE HG13 H 1 1.011 0.030 . 2 . . . . 43 ILE HG13 . 11347 1 446 . 1 1 43 43 ILE HG21 H 1 0.840 0.030 . 1 . . . . 43 ILE HG2 . 11347 1 447 . 1 1 43 43 ILE HG22 H 1 0.840 0.030 . 1 . . . . 43 ILE HG2 . 11347 1 448 . 1 1 43 43 ILE HG23 H 1 0.840 0.030 . 1 . . . . 43 ILE HG2 . 11347 1 449 . 1 1 43 43 ILE C C 13 174.381 0.300 . 1 . . . . 43 ILE C . 11347 1 450 . 1 1 43 43 ILE CA C 13 59.535 0.300 . 1 . . . . 43 ILE CA . 11347 1 451 . 1 1 43 43 ILE CB C 13 38.429 0.300 . 1 . . . . 43 ILE CB . 11347 1 452 . 1 1 43 43 ILE CD1 C 13 12.850 0.300 . 1 . . . . 43 ILE CD1 . 11347 1 453 . 1 1 43 43 ILE CG1 C 13 28.258 0.300 . 1 . . . . 43 ILE CG1 . 11347 1 454 . 1 1 43 43 ILE CG2 C 13 16.735 0.300 . 1 . . . . 43 ILE CG2 . 11347 1 455 . 1 1 43 43 ILE N N 15 124.561 0.300 . 1 . . . . 43 ILE N . 11347 1 456 . 1 1 44 44 PRO HA H 1 4.315 0.030 . 1 . . . . 44 PRO HA . 11347 1 457 . 1 1 44 44 PRO HB2 H 1 1.857 0.030 . 2 . . . . 44 PRO HB2 . 11347 1 458 . 1 1 44 44 PRO HB3 H 1 2.276 0.030 . 2 . . . . 44 PRO HB3 . 11347 1 459 . 1 1 44 44 PRO HD2 H 1 3.586 0.030 . 2 . . . . 44 PRO HD2 . 11347 1 460 . 1 1 44 44 PRO HD3 H 1 3.276 0.030 . 2 . . . . 44 PRO HD3 . 11347 1 461 . 1 1 44 44 PRO HG2 H 1 1.680 0.030 . 2 . . . . 44 PRO HG2 . 11347 1 462 . 1 1 44 44 PRO HG3 H 1 1.648 0.030 . 2 . . . . 44 PRO HG3 . 11347 1 463 . 1 1 44 44 PRO C C 13 176.092 0.300 . 1 . . . . 44 PRO C . 11347 1 464 . 1 1 44 44 PRO CA C 13 62.985 0.300 . 1 . . . . 44 PRO CA . 11347 1 465 . 1 1 44 44 PRO CB C 13 32.191 0.300 . 1 . . . . 44 PRO CB . 11347 1 466 . 1 1 44 44 PRO CD C 13 51.174 0.300 . 1 . . . . 44 PRO CD . 11347 1 467 . 1 1 44 44 PRO CG C 13 27.275 0.300 . 1 . . . . 44 PRO CG . 11347 1 468 . 1 1 45 45 LYS H H 1 8.436 0.030 . 1 . . . . 45 LYS H . 11347 1 469 . 1 1 45 45 LYS HA H 1 4.294 0.030 . 1 . . . . 45 LYS HA . 11347 1 470 . 1 1 45 45 LYS HB2 H 1 1.773 0.030 . 2 . . . . 45 LYS HB2 . 11347 1 471 . 1 1 45 45 LYS HB3 H 1 1.683 0.030 . 2 . . . . 45 LYS HB3 . 11347 1 472 . 1 1 45 45 LYS HD2 H 1 1.664 0.030 . 2 . . . . 45 LYS HD2 . 11347 1 473 . 1 1 45 45 LYS HD3 H 1 1.626 0.030 . 2 . . . . 45 LYS HD3 . 11347 1 474 . 1 1 45 45 LYS HE2 H 1 2.954 0.030 . 1 . . . . 45 LYS HE2 . 11347 1 475 . 1 1 45 45 LYS HE3 H 1 2.954 0.030 . 1 . . . . 45 LYS HE3 . 11347 1 476 . 1 1 45 45 LYS HG2 H 1 1.449 0.030 . 2 . . . . 45 LYS HG2 . 11347 1 477 . 1 1 45 45 LYS HG3 H 1 1.371 0.030 . 2 . . . . 45 LYS HG3 . 11347 1 478 . 1 1 45 45 LYS C C 13 177.178 0.300 . 1 . . . . 45 LYS C . 11347 1 479 . 1 1 45 45 LYS CA C 13 55.910 0.300 . 1 . . . . 45 LYS CA . 11347 1 480 . 1 1 45 45 LYS CB C 13 32.902 0.300 . 1 . . . . 45 LYS CB . 11347 1 481 . 1 1 45 45 LYS CD C 13 28.918 0.300 . 1 . . . . 45 LYS CD . 11347 1 482 . 1 1 45 45 LYS CE C 13 42.140 0.300 . 1 . . . . 45 LYS CE . 11347 1 483 . 1 1 45 45 LYS CG C 13 24.811 0.300 . 1 . . . . 45 LYS CG . 11347 1 484 . 1 1 45 45 LYS N N 15 121.594 0.300 . 1 . . . . 45 LYS N . 11347 1 485 . 1 1 46 46 GLY H H 1 8.205 0.030 . 1 . . . . 46 GLY H . 11347 1 486 . 1 1 46 46 GLY HA2 H 1 3.935 0.030 . 2 . . . . 46 GLY HA2 . 11347 1 487 . 1 1 46 46 GLY HA3 H 1 3.895 0.030 . 2 . . . . 46 GLY HA3 . 11347 1 488 . 1 1 46 46 GLY C C 13 172.986 0.300 . 1 . . . . 46 GLY C . 11347 1 489 . 1 1 46 46 GLY CA C 13 44.482 0.300 . 1 . . . . 46 GLY CA . 11347 1 490 . 1 1 46 46 GLY N N 15 110.799 0.300 . 1 . . . . 46 GLY N . 11347 1 491 . 1 1 47 47 MET H H 1 8.226 0.030 . 1 . . . . 47 MET H . 11347 1 492 . 1 1 47 47 MET HA H 1 4.378 0.030 . 1 . . . . 47 MET HA . 11347 1 493 . 1 1 47 47 MET HB2 H 1 1.967 0.030 . 2 . . . . 47 MET HB2 . 11347 1 494 . 1 1 47 47 MET HB3 H 1 1.874 0.030 . 2 . . . . 47 MET HB3 . 11347 1 495 . 1 1 47 47 MET HE1 H 1 1.994 0.030 . 1 . . . . 47 MET HE . 11347 1 496 . 1 1 47 47 MET HE2 H 1 1.994 0.030 . 1 . . . . 47 MET HE . 11347 1 497 . 1 1 47 47 MET HE3 H 1 1.994 0.030 . 1 . . . . 47 MET HE . 11347 1 498 . 1 1 47 47 MET HG2 H 1 2.526 0.030 . 2 . . . . 47 MET HG2 . 11347 1 499 . 1 1 47 47 MET HG3 H 1 2.401 0.030 . 2 . . . . 47 MET HG3 . 11347 1 500 . 1 1 47 47 MET C C 13 175.612 0.300 . 1 . . . . 47 MET C . 11347 1 501 . 1 1 47 47 MET CA C 13 56.348 0.300 . 1 . . . . 47 MET CA . 11347 1 502 . 1 1 47 47 MET CB C 13 33.434 0.300 . 1 . . . . 47 MET CB . 11347 1 503 . 1 1 47 47 MET CE C 13 17.223 0.300 . 1 . . . . 47 MET CE . 11347 1 504 . 1 1 47 47 MET CG C 13 31.842 0.300 . 1 . . . . 47 MET CG . 11347 1 505 . 1 1 47 47 MET N N 15 121.469 0.300 . 1 . . . . 47 MET N . 11347 1 506 . 1 1 48 48 TRP H H 1 9.505 0.030 . 1 . . . . 48 TRP H . 11347 1 507 . 1 1 48 48 TRP HA H 1 4.534 0.030 . 1 . . . . 48 TRP HA . 11347 1 508 . 1 1 48 48 TRP HB2 H 1 2.862 0.030 . 2 . . . . 48 TRP HB2 . 11347 1 509 . 1 1 48 48 TRP HB3 H 1 3.223 0.030 . 2 . . . . 48 TRP HB3 . 11347 1 510 . 1 1 48 48 TRP HD1 H 1 7.200 0.030 . 1 . . . . 48 TRP HD1 . 11347 1 511 . 1 1 48 48 TRP HE1 H 1 9.793 0.030 . 1 . . . . 48 TRP HE1 . 11347 1 512 . 1 1 48 48 TRP HE3 H 1 7.406 0.030 . 1 . . . . 48 TRP HE3 . 11347 1 513 . 1 1 48 48 TRP HH2 H 1 6.310 0.030 . 1 . . . . 48 TRP HH2 . 11347 1 514 . 1 1 48 48 TRP HZ2 H 1 7.070 0.030 . 1 . . . . 48 TRP HZ2 . 11347 1 515 . 1 1 48 48 TRP HZ3 H 1 6.651 0.030 . 1 . . . . 48 TRP HZ3 . 11347 1 516 . 1 1 48 48 TRP C C 13 172.338 0.300 . 1 . . . . 48 TRP C . 11347 1 517 . 1 1 48 48 TRP CA C 13 59.772 0.300 . 1 . . . . 48 TRP CA . 11347 1 518 . 1 1 48 48 TRP CB C 13 30.310 0.300 . 1 . . . . 48 TRP CB . 11347 1 519 . 1 1 48 48 TRP CD1 C 13 126.387 0.300 . 1 . . . . 48 TRP CD1 . 11347 1 520 . 1 1 48 48 TRP CE3 C 13 121.818 0.300 . 1 . . . . 48 TRP CE3 . 11347 1 521 . 1 1 48 48 TRP CH2 C 13 122.806 0.300 . 1 . . . . 48 TRP CH2 . 11347 1 522 . 1 1 48 48 TRP CZ2 C 13 114.180 0.300 . 1 . . . . 48 TRP CZ2 . 11347 1 523 . 1 1 48 48 TRP CZ3 C 13 119.766 0.300 . 1 . . . . 48 TRP CZ3 . 11347 1 524 . 1 1 48 48 TRP N N 15 128.803 0.300 . 1 . . . . 48 TRP N . 11347 1 525 . 1 1 48 48 TRP NE1 N 15 129.094 0.300 . 1 . . . . 48 TRP NE1 . 11347 1 526 . 1 1 49 49 ILE H H 1 6.853 0.030 . 1 . . . . 49 ILE H . 11347 1 527 . 1 1 49 49 ILE HA H 1 4.469 0.030 . 1 . . . . 49 ILE HA . 11347 1 528 . 1 1 49 49 ILE HB H 1 1.252 0.030 . 1 . . . . 49 ILE HB . 11347 1 529 . 1 1 49 49 ILE HD11 H 1 0.643 0.030 . 1 . . . . 49 ILE HD1 . 11347 1 530 . 1 1 49 49 ILE HD12 H 1 0.643 0.030 . 1 . . . . 49 ILE HD1 . 11347 1 531 . 1 1 49 49 ILE HD13 H 1 0.643 0.030 . 1 . . . . 49 ILE HD1 . 11347 1 532 . 1 1 49 49 ILE HG12 H 1 1.184 0.030 . 2 . . . . 49 ILE HG12 . 11347 1 533 . 1 1 49 49 ILE HG13 H 1 0.924 0.030 . 2 . . . . 49 ILE HG13 . 11347 1 534 . 1 1 49 49 ILE HG21 H 1 0.661 0.030 . 1 . . . . 49 ILE HG2 . 11347 1 535 . 1 1 49 49 ILE HG22 H 1 0.661 0.030 . 1 . . . . 49 ILE HG2 . 11347 1 536 . 1 1 49 49 ILE HG23 H 1 0.661 0.030 . 1 . . . . 49 ILE HG2 . 11347 1 537 . 1 1 49 49 ILE C C 13 174.796 0.300 . 1 . . . . 49 ILE C . 11347 1 538 . 1 1 49 49 ILE CA C 13 58.401 0.300 . 1 . . . . 49 ILE CA . 11347 1 539 . 1 1 49 49 ILE CB C 13 39.526 0.300 . 1 . . . . 49 ILE CB . 11347 1 540 . 1 1 49 49 ILE CD1 C 13 12.816 0.300 . 1 . . . . 49 ILE CD1 . 11347 1 541 . 1 1 49 49 ILE CG1 C 13 26.897 0.300 . 1 . . . . 49 ILE CG1 . 11347 1 542 . 1 1 49 49 ILE CG2 C 13 18.577 0.300 . 1 . . . . 49 ILE CG2 . 11347 1 543 . 1 1 49 49 ILE N N 15 126.262 0.300 . 1 . . . . 49 ILE N . 11347 1 544 . 1 1 50 50 CYS H H 1 9.142 0.030 . 1 . . . . 50 CYS H . 11347 1 545 . 1 1 50 50 CYS HA H 1 3.336 0.030 . 1 . . . . 50 CYS HA . 11347 1 546 . 1 1 50 50 CYS HB2 H 1 2.995 0.030 . 2 . . . . 50 CYS HB2 . 11347 1 547 . 1 1 50 50 CYS HB3 H 1 2.295 0.030 . 2 . . . . 50 CYS HB3 . 11347 1 548 . 1 1 50 50 CYS C C 13 173.753 0.300 . 1 . . . . 50 CYS C . 11347 1 549 . 1 1 50 50 CYS CA C 13 57.169 0.300 . 1 . . . . 50 CYS CA . 11347 1 550 . 1 1 50 50 CYS CB C 13 31.065 0.300 . 1 . . . . 50 CYS CB . 11347 1 551 . 1 1 50 50 CYS N N 15 131.988 0.300 . 1 . . . . 50 CYS N . 11347 1 552 . 1 1 51 51 PRO HA H 1 4.064 0.030 . 1 . . . . 51 PRO HA . 11347 1 553 . 1 1 51 51 PRO HB2 H 1 1.800 0.030 . 2 . . . . 51 PRO HB2 . 11347 1 554 . 1 1 51 51 PRO HB3 H 1 2.339 0.030 . 2 . . . . 51 PRO HB3 . 11347 1 555 . 1 1 51 51 PRO HD2 H 1 3.397 0.030 . 2 . . . . 51 PRO HD2 . 11347 1 556 . 1 1 51 51 PRO HD3 H 1 3.058 0.030 . 2 . . . . 51 PRO HD3 . 11347 1 557 . 1 1 51 51 PRO HG2 H 1 1.950 0.030 . 1 . . . . 51 PRO HG2 . 11347 1 558 . 1 1 51 51 PRO HG3 H 1 1.950 0.030 . 1 . . . . 51 PRO HG3 . 11347 1 559 . 1 1 51 51 PRO C C 13 179.075 0.300 . 1 . . . . 51 PRO C . 11347 1 560 . 1 1 51 51 PRO CA C 13 65.209 0.300 . 1 . . . . 51 PRO CA . 11347 1 561 . 1 1 51 51 PRO CB C 13 32.210 0.300 . 1 . . . . 51 PRO CB . 11347 1 562 . 1 1 51 51 PRO CD C 13 50.044 0.300 . 1 . . . . 51 PRO CD . 11347 1 563 . 1 1 51 51 PRO CG C 13 28.014 0.300 . 1 . . . . 51 PRO CG . 11347 1 564 . 1 1 52 52 ARG H H 1 8.085 0.030 . 1 . . . . 52 ARG H . 11347 1 565 . 1 1 52 52 ARG HA H 1 4.179 0.030 . 1 . . . . 52 ARG HA . 11347 1 566 . 1 1 52 52 ARG HB2 H 1 1.891 0.030 . 2 . . . . 52 ARG HB2 . 11347 1 567 . 1 1 52 52 ARG HB3 H 1 1.849 0.030 . 2 . . . . 52 ARG HB3 . 11347 1 568 . 1 1 52 52 ARG HD2 H 1 3.162 0.030 . 1 . . . . 52 ARG HD2 . 11347 1 569 . 1 1 52 52 ARG HD3 H 1 3.162 0.030 . 1 . . . . 52 ARG HD3 . 11347 1 570 . 1 1 52 52 ARG HG2 H 1 1.720 0.030 . 2 . . . . 52 ARG HG2 . 11347 1 571 . 1 1 52 52 ARG HG3 H 1 1.657 0.030 . 2 . . . . 52 ARG HG3 . 11347 1 572 . 1 1 52 52 ARG C C 13 178.948 0.300 . 1 . . . . 52 ARG C . 11347 1 573 . 1 1 52 52 ARG CA C 13 57.814 0.300 . 1 . . . . 52 ARG CA . 11347 1 574 . 1 1 52 52 ARG CB C 13 30.067 0.300 . 1 . . . . 52 ARG CB . 11347 1 575 . 1 1 52 52 ARG CD C 13 42.879 0.300 . 1 . . . . 52 ARG CD . 11347 1 576 . 1 1 52 52 ARG CG C 13 26.700 0.300 . 1 . . . . 52 ARG CG . 11347 1 577 . 1 1 52 52 ARG N N 15 117.586 0.300 . 1 . . . . 52 ARG N . 11347 1 578 . 1 1 53 53 CYS H H 1 7.982 0.030 . 1 . . . . 53 CYS H . 11347 1 579 . 1 1 53 53 CYS HA H 1 3.891 0.030 . 1 . . . . 53 CYS HA . 11347 1 580 . 1 1 53 53 CYS HB2 H 1 2.727 0.030 . 2 . . . . 53 CYS HB2 . 11347 1 581 . 1 1 53 53 CYS HB3 H 1 2.645 0.030 . 2 . . . . 53 CYS HB3 . 11347 1 582 . 1 1 53 53 CYS C C 13 176.977 0.300 . 1 . . . . 53 CYS C . 11347 1 583 . 1 1 53 53 CYS CA C 13 63.542 0.300 . 1 . . . . 53 CYS CA . 11347 1 584 . 1 1 53 53 CYS CB C 13 29.447 0.300 . 1 . . . . 53 CYS CB . 11347 1 585 . 1 1 53 53 CYS N N 15 122.672 0.300 . 1 . . . . 53 CYS N . 11347 1 586 . 1 1 54 54 GLN H H 1 7.559 0.030 . 1 . . . . 54 GLN H . 11347 1 587 . 1 1 54 54 GLN HA H 1 3.969 0.030 . 1 . . . . 54 GLN HA . 11347 1 588 . 1 1 54 54 GLN HB2 H 1 1.757 0.030 . 2 . . . . 54 GLN HB2 . 11347 1 589 . 1 1 54 54 GLN HB3 H 1 1.969 0.030 . 2 . . . . 54 GLN HB3 . 11347 1 590 . 1 1 54 54 GLN HE21 H 1 7.048 0.030 . 2 . . . . 54 GLN HE21 . 11347 1 591 . 1 1 54 54 GLN HE22 H 1 6.626 0.030 . 2 . . . . 54 GLN HE22 . 11347 1 592 . 1 1 54 54 GLN HG2 H 1 2.184 0.030 . 2 . . . . 54 GLN HG2 . 11347 1 593 . 1 1 54 54 GLN HG3 H 1 2.078 0.030 . 2 . . . . 54 GLN HG3 . 11347 1 594 . 1 1 54 54 GLN C C 13 175.740 0.300 . 1 . . . . 54 GLN C . 11347 1 595 . 1 1 54 54 GLN CA C 13 56.986 0.300 . 1 . . . . 54 GLN CA . 11347 1 596 . 1 1 54 54 GLN CB C 13 29.352 0.300 . 1 . . . . 54 GLN CB . 11347 1 597 . 1 1 54 54 GLN CG C 13 33.888 0.300 . 1 . . . . 54 GLN CG . 11347 1 598 . 1 1 54 54 GLN N N 15 117.965 0.300 . 1 . . . . 54 GLN N . 11347 1 599 . 1 1 54 54 GLN NE2 N 15 112.485 0.300 . 1 . . . . 54 GLN NE2 . 11347 1 600 . 1 1 55 55 ASP H H 1 7.704 0.030 . 1 . . . . 55 ASP H . 11347 1 601 . 1 1 55 55 ASP HA H 1 4.556 0.030 . 1 . . . . 55 ASP HA . 11347 1 602 . 1 1 55 55 ASP HB2 H 1 2.527 0.030 . 2 . . . . 55 ASP HB2 . 11347 1 603 . 1 1 55 55 ASP HB3 H 1 2.716 0.030 . 2 . . . . 55 ASP HB3 . 11347 1 604 . 1 1 55 55 ASP C C 13 175.062 0.300 . 1 . . . . 55 ASP C . 11347 1 605 . 1 1 55 55 ASP CA C 13 54.500 0.300 . 1 . . . . 55 ASP CA . 11347 1 606 . 1 1 55 55 ASP CB C 13 40.829 0.300 . 1 . . . . 55 ASP CB . 11347 1 607 . 1 1 55 55 ASP N N 15 120.040 0.300 . 1 . . . . 55 ASP N . 11347 1 608 . 1 1 56 56 GLN H H 1 7.628 0.030 . 1 . . . . 56 GLN H . 11347 1 609 . 1 1 56 56 GLN HA H 1 4.050 0.030 . 1 . . . . 56 GLN HA . 11347 1 610 . 1 1 56 56 GLN HB2 H 1 2.049 0.030 . 2 . . . . 56 GLN HB2 . 11347 1 611 . 1 1 56 56 GLN HB3 H 1 1.845 0.030 . 2 . . . . 56 GLN HB3 . 11347 1 612 . 1 1 56 56 GLN HE21 H 1 7.463 0.030 . 2 . . . . 56 GLN HE21 . 11347 1 613 . 1 1 56 56 GLN HE22 H 1 6.745 0.030 . 2 . . . . 56 GLN HE22 . 11347 1 614 . 1 1 56 56 GLN HG2 H 1 2.230 0.030 . 1 . . . . 56 GLN HG2 . 11347 1 615 . 1 1 56 56 GLN HG3 H 1 2.230 0.030 . 1 . . . . 56 GLN HG3 . 11347 1 616 . 1 1 56 56 GLN C C 13 180.655 0.300 . 1 . . . . 56 GLN C . 11347 1 617 . 1 1 56 56 GLN CA C 13 57.290 0.300 . 1 . . . . 56 GLN CA . 11347 1 618 . 1 1 56 56 GLN CB C 13 30.424 0.300 . 1 . . . . 56 GLN CB . 11347 1 619 . 1 1 56 56 GLN CG C 13 34.180 0.300 . 1 . . . . 56 GLN CG . 11347 1 620 . 1 1 56 56 GLN N N 15 124.484 0.300 . 1 . . . . 56 GLN N . 11347 1 621 . 1 1 56 56 GLN NE2 N 15 112.668 0.300 . 1 . . . . 56 GLN NE2 . 11347 1 stop_ save_