################################### # 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 11205 _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 15N-separated NOESY' 1 $sample_1 isotropic 11205 1 2 '3D 13C-separated NOESY' 1 $sample_1 isotropic 11205 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 $VNMR . . 11205 1 2 $NMRPipe . . 11205 1 3 $NMRView . . 11205 1 4 $Kujira . . 11205 1 5 $CYANA . . 11205 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 5 5 SER C C 13 174.665 0.300 . 1 . . . . 5 SER C . 11205 1 2 . 1 1 5 5 SER CA C 13 58.370 0.300 . 1 . . . . 5 SER CA . 11205 1 3 . 1 1 5 5 SER CB C 13 63.825 0.300 . 1 . . . . 5 SER CB . 11205 1 4 . 1 1 6 6 SER H H 1 8.306 0.030 . 1 . . . . 6 SER H . 11205 1 5 . 1 1 6 6 SER C C 13 173.944 0.300 . 1 . . . . 6 SER C . 11205 1 6 . 1 1 6 6 SER CA C 13 58.263 0.300 . 1 . . . . 6 SER CA . 11205 1 7 . 1 1 6 6 SER CB C 13 64.106 0.300 . 1 . . . . 6 SER CB . 11205 1 8 . 1 1 6 6 SER N N 15 117.778 0.300 . 1 . . . . 6 SER N . 11205 1 9 . 1 1 8 8 ARG HA H 1 4.336 0.030 . 1 . . . . 8 ARG HA . 11205 1 10 . 1 1 8 8 ARG HB2 H 1 1.833 0.030 . 2 . . . . 8 ARG HB2 . 11205 1 11 . 1 1 8 8 ARG HB3 H 1 1.700 0.030 . 2 . . . . 8 ARG HB3 . 11205 1 12 . 1 1 8 8 ARG HD2 H 1 3.121 0.030 . 2 . . . . 8 ARG HD2 . 11205 1 13 . 1 1 8 8 ARG HG2 H 1 1.577 0.030 . 2 . . . . 8 ARG HG2 . 11205 1 14 . 1 1 8 8 ARG HG3 H 1 1.539 0.030 . 2 . . . . 8 ARG HG3 . 11205 1 15 . 1 1 8 8 ARG CA C 13 56.165 0.300 . 1 . . . . 8 ARG CA . 11205 1 16 . 1 1 8 8 ARG CB C 13 30.923 0.300 . 1 . . . . 8 ARG CB . 11205 1 17 . 1 1 8 8 ARG CD C 13 43.269 0.300 . 1 . . . . 8 ARG CD . 11205 1 18 . 1 1 8 8 ARG CG C 13 27.107 0.300 . 1 . . . . 8 ARG CG . 11205 1 19 . 1 1 9 9 SER HA H 1 4.383 0.030 . 1 . . . . 9 SER HA . 11205 1 20 . 1 1 9 9 SER HB2 H 1 3.837 0.030 . 2 . . . . 9 SER HB2 . 11205 1 21 . 1 1 9 9 SER HB3 H 1 3.800 0.030 . 2 . . . . 9 SER HB3 . 11205 1 22 . 1 1 9 9 SER C C 13 175.080 0.300 . 1 . . . . 9 SER C . 11205 1 23 . 1 1 9 9 SER CA C 13 58.819 0.300 . 1 . . . . 9 SER CA . 11205 1 24 . 1 1 9 9 SER CB C 13 63.658 0.300 . 1 . . . . 9 SER CB . 11205 1 25 . 1 1 10 10 GLU H H 1 8.591 0.030 . 1 . . . . 10 GLU H . 11205 1 26 . 1 1 10 10 GLU HA H 1 4.206 0.030 . 1 . . . . 10 GLU HA . 11205 1 27 . 1 1 10 10 GLU HB2 H 1 1.971 0.030 . 2 . . . . 10 GLU HB2 . 11205 1 28 . 1 1 10 10 GLU HB3 H 1 1.899 0.030 . 2 . . . . 10 GLU HB3 . 11205 1 29 . 1 1 10 10 GLU HG2 H 1 2.204 0.030 . 2 . . . . 10 GLU HG2 . 11205 1 30 . 1 1 10 10 GLU HG3 H 1 2.145 0.030 . 2 . . . . 10 GLU HG3 . 11205 1 31 . 1 1 10 10 GLU C C 13 176.889 0.300 . 1 . . . . 10 GLU C . 11205 1 32 . 1 1 10 10 GLU CA C 13 57.480 0.300 . 1 . . . . 10 GLU CA . 11205 1 33 . 1 1 10 10 GLU CB C 13 29.793 0.300 . 1 . . . . 10 GLU CB . 11205 1 34 . 1 1 10 10 GLU CG C 13 36.166 0.300 . 1 . . . . 10 GLU CG . 11205 1 35 . 1 1 10 10 GLU N N 15 122.772 0.300 . 1 . . . . 10 GLU N . 11205 1 36 . 1 1 11 11 TRP H H 1 8.040 0.030 . 1 . . . . 11 TRP H . 11205 1 37 . 1 1 11 11 TRP HA H 1 4.559 0.030 . 1 . . . . 11 TRP HA . 11205 1 38 . 1 1 11 11 TRP HB2 H 1 3.290 0.030 . 1 . . . . 11 TRP HB2 . 11205 1 39 . 1 1 11 11 TRP HB3 H 1 3.290 0.030 . 1 . . . . 11 TRP HB3 . 11205 1 40 . 1 1 11 11 TRP HD1 H 1 7.255 0.030 . 1 . . . . 11 TRP HD1 . 11205 1 41 . 1 1 11 11 TRP HE1 H 1 10.124 0.030 . 1 . . . . 11 TRP HE1 . 11205 1 42 . 1 1 11 11 TRP HE3 H 1 7.567 0.030 . 1 . . . . 11 TRP HE3 . 11205 1 43 . 1 1 11 11 TRP HH2 H 1 7.222 0.030 . 1 . . . . 11 TRP HH2 . 11205 1 44 . 1 1 11 11 TRP HZ2 H 1 7.473 0.030 . 1 . . . . 11 TRP HZ2 . 11205 1 45 . 1 1 11 11 TRP HZ3 H 1 7.134 0.030 . 1 . . . . 11 TRP HZ3 . 11205 1 46 . 1 1 11 11 TRP C C 13 176.794 0.300 . 1 . . . . 11 TRP C . 11205 1 47 . 1 1 11 11 TRP CA C 13 58.001 0.300 . 1 . . . . 11 TRP CA . 11205 1 48 . 1 1 11 11 TRP CB C 13 29.250 0.300 . 1 . . . . 11 TRP CB . 11205 1 49 . 1 1 11 11 TRP CD1 C 13 127.149 0.300 . 1 . . . . 11 TRP CD1 . 11205 1 50 . 1 1 11 11 TRP CE3 C 13 120.799 0.300 . 1 . . . . 11 TRP CE3 . 11205 1 51 . 1 1 11 11 TRP CH2 C 13 124.774 0.300 . 1 . . . . 11 TRP CH2 . 11205 1 52 . 1 1 11 11 TRP CZ2 C 13 114.708 0.300 . 1 . . . . 11 TRP CZ2 . 11205 1 53 . 1 1 11 11 TRP CZ3 C 13 121.935 0.300 . 1 . . . . 11 TRP CZ3 . 11205 1 54 . 1 1 11 11 TRP N N 15 120.864 0.300 . 1 . . . . 11 TRP N . 11205 1 55 . 1 1 11 11 TRP NE1 N 15 129.515 0.300 . 1 . . . . 11 TRP NE1 . 11205 1 56 . 1 1 12 12 GLN H H 1 7.985 0.030 . 1 . . . . 12 GLN H . 11205 1 57 . 1 1 12 12 GLN HA H 1 4.071 0.030 . 1 . . . . 12 GLN HA . 11205 1 58 . 1 1 12 12 GLN HB2 H 1 1.954 0.030 . 2 . . . . 12 GLN HB2 . 11205 1 59 . 1 1 12 12 GLN HB3 H 1 1.847 0.030 . 2 . . . . 12 GLN HB3 . 11205 1 60 . 1 1 12 12 GLN HE21 H 1 7.389 0.030 . 2 . . . . 12 GLN HE21 . 11205 1 61 . 1 1 12 12 GLN HE22 H 1 6.832 0.030 . 2 . . . . 12 GLN HE22 . 11205 1 62 . 1 1 12 12 GLN HG2 H 1 2.139 0.030 . 2 . . . . 12 GLN HG2 . 11205 1 63 . 1 1 12 12 GLN HG3 H 1 2.052 0.030 . 2 . . . . 12 GLN HG3 . 11205 1 64 . 1 1 12 12 GLN C C 13 176.257 0.300 . 1 . . . . 12 GLN C . 11205 1 65 . 1 1 12 12 GLN CA C 13 56.605 0.300 . 1 . . . . 12 GLN CA . 11205 1 66 . 1 1 12 12 GLN CB C 13 29.162 0.300 . 1 . . . . 12 GLN CB . 11205 1 67 . 1 1 12 12 GLN CG C 13 33.765 0.300 . 1 . . . . 12 GLN CG . 11205 1 68 . 1 1 12 12 GLN N N 15 120.881 0.300 . 1 . . . . 12 GLN N . 11205 1 69 . 1 1 12 12 GLN NE2 N 15 112.090 0.300 . 1 . . . . 12 GLN NE2 . 11205 1 70 . 1 1 13 13 GLN H H 1 8.099 0.030 . 1 . . . . 13 GLN H . 11205 1 71 . 1 1 13 13 GLN HA H 1 4.166 0.030 . 1 . . . . 13 GLN HA . 11205 1 72 . 1 1 13 13 GLN HB2 H 1 2.089 0.030 . 2 . . . . 13 GLN HB2 . 11205 1 73 . 1 1 13 13 GLN HB3 H 1 1.972 0.030 . 2 . . . . 13 GLN HB3 . 11205 1 74 . 1 1 13 13 GLN HE21 H 1 7.495 0.030 . 2 . . . . 13 GLN HE21 . 11205 1 75 . 1 1 13 13 GLN HE22 H 1 6.858 0.030 . 2 . . . . 13 GLN HE22 . 11205 1 76 . 1 1 13 13 GLN HG2 H 1 2.340 0.030 . 1 . . . . 13 GLN HG2 . 11205 1 77 . 1 1 13 13 GLN HG3 H 1 2.340 0.030 . 1 . . . . 13 GLN HG3 . 11205 1 78 . 1 1 13 13 GLN C C 13 176.341 0.300 . 1 . . . . 13 GLN C . 11205 1 79 . 1 1 13 13 GLN CA C 13 56.467 0.300 . 1 . . . . 13 GLN CA . 11205 1 80 . 1 1 13 13 GLN CB C 13 28.994 0.300 . 1 . . . . 13 GLN CB . 11205 1 81 . 1 1 13 13 GLN CG C 13 33.855 0.300 . 1 . . . . 13 GLN CG . 11205 1 82 . 1 1 13 13 GLN N N 15 119.962 0.300 . 1 . . . . 13 GLN N . 11205 1 83 . 1 1 13 13 GLN NE2 N 15 112.295 0.300 . 1 . . . . 13 GLN NE2 . 11205 1 84 . 1 1 14 14 ARG H H 1 8.118 0.030 . 1 . . . . 14 ARG H . 11205 1 85 . 1 1 14 14 ARG HA H 1 4.209 0.030 . 1 . . . . 14 ARG HA . 11205 1 86 . 1 1 14 14 ARG HB2 H 1 1.823 0.030 . 2 . . . . 14 ARG HB2 . 11205 1 87 . 1 1 14 14 ARG HB3 H 1 1.771 0.030 . 2 . . . . 14 ARG HB3 . 11205 1 88 . 1 1 14 14 ARG HD2 H 1 3.127 0.030 . 1 . . . . 14 ARG HD2 . 11205 1 89 . 1 1 14 14 ARG HD3 H 1 3.127 0.030 . 1 . . . . 14 ARG HD3 . 11205 1 90 . 1 1 14 14 ARG HG2 H 1 1.594 0.030 . 1 . . . . 14 ARG HG2 . 11205 1 91 . 1 1 14 14 ARG HG3 H 1 1.594 0.030 . 1 . . . . 14 ARG HG3 . 11205 1 92 . 1 1 14 14 ARG C C 13 176.559 0.300 . 1 . . . . 14 ARG C . 11205 1 93 . 1 1 14 14 ARG CA C 13 56.811 0.300 . 1 . . . . 14 ARG CA . 11205 1 94 . 1 1 14 14 ARG CB C 13 30.803 0.300 . 1 . . . . 14 ARG CB . 11205 1 95 . 1 1 14 14 ARG CD C 13 43.358 0.300 . 1 . . . . 14 ARG CD . 11205 1 96 . 1 1 14 14 ARG CG C 13 27.221 0.300 . 1 . . . . 14 ARG CG . 11205 1 97 . 1 1 14 14 ARG N N 15 121.126 0.300 . 1 . . . . 14 ARG N . 11205 1 98 . 1 1 15 15 GLU H H 1 8.280 0.030 . 1 . . . . 15 GLU H . 11205 1 99 . 1 1 15 15 GLU HA H 1 4.196 0.030 . 1 . . . . 15 GLU HA . 11205 1 100 . 1 1 15 15 GLU HB2 H 1 1.993 0.030 . 2 . . . . 15 GLU HB2 . 11205 1 101 . 1 1 15 15 GLU HB3 H 1 1.903 0.030 . 2 . . . . 15 GLU HB3 . 11205 1 102 . 1 1 15 15 GLU HG2 H 1 2.197 0.030 . 1 . . . . 15 GLU HG2 . 11205 1 103 . 1 1 15 15 GLU HG3 H 1 2.197 0.030 . 1 . . . . 15 GLU HG3 . 11205 1 104 . 1 1 15 15 GLU C C 13 176.385 0.300 . 1 . . . . 15 GLU C . 11205 1 105 . 1 1 15 15 GLU CA C 13 56.735 0.300 . 1 . . . . 15 GLU CA . 11205 1 106 . 1 1 15 15 GLU CB C 13 30.205 0.300 . 1 . . . . 15 GLU CB . 11205 1 107 . 1 1 15 15 GLU CG C 13 36.280 0.300 . 1 . . . . 15 GLU CG . 11205 1 108 . 1 1 15 15 GLU N N 15 120.897 0.300 . 1 . . . . 15 GLU N . 11205 1 109 . 1 1 16 16 ARG H H 1 8.220 0.030 . 1 . . . . 16 ARG H . 11205 1 110 . 1 1 16 16 ARG HA H 1 4.266 0.030 . 1 . . . . 16 ARG HA . 11205 1 111 . 1 1 16 16 ARG HB2 H 1 1.810 0.030 . 2 . . . . 16 ARG HB2 . 11205 1 112 . 1 1 16 16 ARG HB3 H 1 1.720 0.030 . 2 . . . . 16 ARG HB3 . 11205 1 113 . 1 1 16 16 ARG HD2 H 1 3.152 0.030 . 1 . . . . 16 ARG HD2 . 11205 1 114 . 1 1 16 16 ARG HD3 H 1 3.152 0.030 . 1 . . . . 16 ARG HD3 . 11205 1 115 . 1 1 16 16 ARG HG2 H 1 1.618 0.030 . 2 . . . . 16 ARG HG2 . 11205 1 116 . 1 1 16 16 ARG HG3 H 1 1.564 0.030 . 2 . . . . 16 ARG HG3 . 11205 1 117 . 1 1 16 16 ARG C C 13 176.171 0.300 . 1 . . . . 16 ARG C . 11205 1 118 . 1 1 16 16 ARG CA C 13 56.132 0.300 . 1 . . . . 16 ARG CA . 11205 1 119 . 1 1 16 16 ARG CB C 13 30.712 0.300 . 1 . . . . 16 ARG CB . 11205 1 120 . 1 1 16 16 ARG CD C 13 43.414 0.300 . 1 . . . . 16 ARG CD . 11205 1 121 . 1 1 16 16 ARG CG C 13 27.221 0.300 . 1 . . . . 16 ARG CG . 11205 1 122 . 1 1 16 16 ARG N N 15 121.841 0.300 . 1 . . . . 16 ARG N . 11205 1 123 . 1 1 17 17 ARG H H 1 8.262 0.030 . 1 . . . . 17 ARG H . 11205 1 124 . 1 1 17 17 ARG HA H 1 4.197 0.030 . 1 . . . . 17 ARG HA . 11205 1 125 . 1 1 17 17 ARG HB2 H 1 1.639 0.030 . 2 . . . . 17 ARG HB2 . 11205 1 126 . 1 1 17 17 ARG HB3 H 1 1.587 0.030 . 2 . . . . 17 ARG HB3 . 11205 1 127 . 1 1 17 17 ARG HD2 H 1 3.060 0.030 . 2 . . . . 17 ARG HD2 . 11205 1 128 . 1 1 17 17 ARG HD3 H 1 3.024 0.030 . 2 . . . . 17 ARG HD3 . 11205 1 129 . 1 1 17 17 ARG HG2 H 1 1.468 0.030 . 2 . . . . 17 ARG HG2 . 11205 1 130 . 1 1 17 17 ARG HG3 H 1 1.399 0.030 . 2 . . . . 17 ARG HG3 . 11205 1 131 . 1 1 17 17 ARG C C 13 175.558 0.300 . 1 . . . . 17 ARG C . 11205 1 132 . 1 1 17 17 ARG CA C 13 55.998 0.300 . 1 . . . . 17 ARG CA . 11205 1 133 . 1 1 17 17 ARG CB C 13 30.542 0.300 . 1 . . . . 17 ARG CB . 11205 1 134 . 1 1 17 17 ARG CD C 13 43.378 0.300 . 1 . . . . 17 ARG CD . 11205 1 135 . 1 1 17 17 ARG CG C 13 27.107 0.300 . 1 . . . . 17 ARG CG . 11205 1 136 . 1 1 17 17 ARG N N 15 122.455 0.300 . 1 . . . . 17 ARG N . 11205 1 137 . 1 1 18 18 ARG H H 1 8.016 0.030 . 1 . . . . 18 ARG H . 11205 1 138 . 1 1 18 18 ARG HA H 1 4.279 0.030 . 1 . . . . 18 ARG HA . 11205 1 139 . 1 1 18 18 ARG HB2 H 1 1.520 0.030 . 1 . . . . 18 ARG HB2 . 11205 1 140 . 1 1 18 18 ARG HB3 H 1 1.520 0.030 . 1 . . . . 18 ARG HB3 . 11205 1 141 . 1 1 18 18 ARG HD2 H 1 3.025 0.030 . 1 . . . . 18 ARG HD2 . 11205 1 142 . 1 1 18 18 ARG HD3 H 1 3.025 0.030 . 1 . . . . 18 ARG HD3 . 11205 1 143 . 1 1 18 18 ARG HG2 H 1 1.359 0.030 . 2 . . . . 18 ARG HG2 . 11205 1 144 . 1 1 18 18 ARG HG3 H 1 1.312 0.030 . 2 . . . . 18 ARG HG3 . 11205 1 145 . 1 1 18 18 ARG C C 13 175.266 0.300 . 1 . . . . 18 ARG C . 11205 1 146 . 1 1 18 18 ARG CA C 13 55.865 0.300 . 1 . . . . 18 ARG CA . 11205 1 147 . 1 1 18 18 ARG CB C 13 31.979 0.300 . 1 . . . . 18 ARG CB . 11205 1 148 . 1 1 18 18 ARG CD C 13 43.268 0.300 . 1 . . . . 18 ARG CD . 11205 1 149 . 1 1 18 18 ARG CG C 13 27.062 0.300 . 1 . . . . 18 ARG CG . 11205 1 150 . 1 1 18 18 ARG N N 15 120.635 0.300 . 1 . . . . 18 ARG N . 11205 1 151 . 1 1 19 19 TYR H H 1 8.465 0.030 . 1 . . . . 19 TYR H . 11205 1 152 . 1 1 19 19 TYR HA H 1 4.598 0.030 . 1 . . . . 19 TYR HA . 11205 1 153 . 1 1 19 19 TYR HB2 H 1 2.954 0.030 . 2 . . . . 19 TYR HB2 . 11205 1 154 . 1 1 19 19 TYR HB3 H 1 2.749 0.030 . 2 . . . . 19 TYR HB3 . 11205 1 155 . 1 1 19 19 TYR HD1 H 1 6.958 0.030 . 1 . . . . 19 TYR HD1 . 11205 1 156 . 1 1 19 19 TYR HD2 H 1 6.958 0.030 . 1 . . . . 19 TYR HD2 . 11205 1 157 . 1 1 19 19 TYR HE1 H 1 6.795 0.030 . 1 . . . . 19 TYR HE1 . 11205 1 158 . 1 1 19 19 TYR HE2 H 1 6.795 0.030 . 1 . . . . 19 TYR HE2 . 11205 1 159 . 1 1 19 19 TYR C C 13 174.556 0.300 . 1 . . . . 19 TYR C . 11205 1 160 . 1 1 19 19 TYR CA C 13 57.419 0.300 . 1 . . . . 19 TYR CA . 11205 1 161 . 1 1 19 19 TYR CB C 13 39.112 0.300 . 1 . . . . 19 TYR CB . 11205 1 162 . 1 1 19 19 TYR CD1 C 13 133.069 0.300 . 1 . . . . 19 TYR CD1 . 11205 1 163 . 1 1 19 19 TYR CD2 C 13 133.069 0.300 . 1 . . . . 19 TYR CD2 . 11205 1 164 . 1 1 19 19 TYR CE1 C 13 118.132 0.300 . 1 . . . . 19 TYR CE1 . 11205 1 165 . 1 1 19 19 TYR CE2 C 13 118.132 0.300 . 1 . . . . 19 TYR CE2 . 11205 1 166 . 1 1 19 19 TYR N N 15 120.378 0.300 . 1 . . . . 19 TYR N . 11205 1 167 . 1 1 20 20 LYS H H 1 8.710 0.030 . 1 . . . . 20 LYS H . 11205 1 168 . 1 1 20 20 LYS HA H 1 4.903 0.030 . 1 . . . . 20 LYS HA . 11205 1 169 . 1 1 20 20 LYS HB2 H 1 1.682 0.030 . 2 . . . . 20 LYS HB2 . 11205 1 170 . 1 1 20 20 LYS HB3 H 1 1.559 0.030 . 2 . . . . 20 LYS HB3 . 11205 1 171 . 1 1 20 20 LYS HD2 H 1 1.570 0.030 . 1 . . . . 20 LYS HD2 . 11205 1 172 . 1 1 20 20 LYS HD3 H 1 1.570 0.030 . 1 . . . . 20 LYS HD3 . 11205 1 173 . 1 1 20 20 LYS HE2 H 1 2.925 0.030 . 1 . . . . 20 LYS HE2 . 11205 1 174 . 1 1 20 20 LYS HE3 H 1 2.925 0.030 . 1 . . . . 20 LYS HE3 . 11205 1 175 . 1 1 20 20 LYS HG2 H 1 1.170 0.030 . 2 . . . . 20 LYS HG2 . 11205 1 176 . 1 1 20 20 LYS HG3 H 1 1.136 0.030 . 2 . . . . 20 LYS HG3 . 11205 1 177 . 1 1 20 20 LYS C C 13 175.106 0.300 . 1 . . . . 20 LYS C . 11205 1 178 . 1 1 20 20 LYS CA C 13 55.367 0.300 . 1 . . . . 20 LYS CA . 11205 1 179 . 1 1 20 20 LYS CB C 13 35.514 0.300 . 1 . . . . 20 LYS CB . 11205 1 180 . 1 1 20 20 LYS CD C 13 29.502 0.300 . 1 . . . . 20 LYS CD . 11205 1 181 . 1 1 20 20 LYS CE C 13 42.020 0.300 . 1 . . . . 20 LYS CE . 11205 1 182 . 1 1 20 20 LYS CG C 13 24.669 0.300 . 1 . . . . 20 LYS CG . 11205 1 183 . 1 1 20 20 LYS N N 15 125.366 0.300 . 1 . . . . 20 LYS N . 11205 1 184 . 1 1 21 21 CYS H H 1 9.223 0.030 . 1 . . . . 21 CYS H . 11205 1 185 . 1 1 21 21 CYS HA H 1 4.513 0.030 . 1 . . . . 21 CYS HA . 11205 1 186 . 1 1 21 21 CYS HB2 H 1 2.846 0.030 . 2 . . . . 21 CYS HB2 . 11205 1 187 . 1 1 21 21 CYS HB3 H 1 3.432 0.030 . 2 . . . . 21 CYS HB3 . 11205 1 188 . 1 1 21 21 CYS C C 13 176.703 0.300 . 1 . . . . 21 CYS C . 11205 1 189 . 1 1 21 21 CYS CA C 13 59.733 0.300 . 1 . . . . 21 CYS CA . 11205 1 190 . 1 1 21 21 CYS CB C 13 29.848 0.300 . 1 . . . . 21 CYS CB . 11205 1 191 . 1 1 21 21 CYS N N 15 127.220 0.300 . 1 . . . . 21 CYS N . 11205 1 192 . 1 1 22 22 ASP H H 1 9.146 0.030 . 1 . . . . 22 ASP H . 11205 1 193 . 1 1 22 22 ASP HA H 1 4.456 0.030 . 1 . . . . 22 ASP HA . 11205 1 194 . 1 1 22 22 ASP HB2 H 1 2.769 0.030 . 2 . . . . 22 ASP HB2 . 11205 1 195 . 1 1 22 22 ASP HB3 H 1 2.702 0.030 . 2 . . . . 22 ASP HB3 . 11205 1 196 . 1 1 22 22 ASP C C 13 176.308 0.300 . 1 . . . . 22 ASP C . 11205 1 197 . 1 1 22 22 ASP CA C 13 56.495 0.300 . 1 . . . . 22 ASP CA . 11205 1 198 . 1 1 22 22 ASP CB C 13 40.828 0.300 . 1 . . . . 22 ASP CB . 11205 1 199 . 1 1 22 22 ASP N N 15 131.052 0.300 . 1 . . . . 22 ASP N . 11205 1 200 . 1 1 23 23 GLU H H 1 8.777 0.030 . 1 . . . . 23 GLU H . 11205 1 201 . 1 1 23 23 GLU HA H 1 4.229 0.030 . 1 . . . . 23 GLU HA . 11205 1 202 . 1 1 23 23 GLU HB2 H 1 1.495 0.030 . 2 . . . . 23 GLU HB2 . 11205 1 203 . 1 1 23 23 GLU HB3 H 1 1.386 0.030 . 2 . . . . 23 GLU HB3 . 11205 1 204 . 1 1 23 23 GLU HG2 H 1 1.911 0.030 . 2 . . . . 23 GLU HG2 . 11205 1 205 . 1 1 23 23 GLU HG3 H 1 1.790 0.030 . 2 . . . . 23 GLU HG3 . 11205 1 206 . 1 1 23 23 GLU C C 13 177.156 0.300 . 1 . . . . 23 GLU C . 11205 1 207 . 1 1 23 23 GLU CA C 13 58.683 0.300 . 1 . . . . 23 GLU CA . 11205 1 208 . 1 1 23 23 GLU CB C 13 29.855 0.300 . 1 . . . . 23 GLU CB . 11205 1 209 . 1 1 23 23 GLU CG C 13 36.068 0.300 . 1 . . . . 23 GLU CG . 11205 1 210 . 1 1 23 23 GLU N N 15 121.035 0.300 . 1 . . . . 23 GLU N . 11205 1 211 . 1 1 24 24 CYS H H 1 7.979 0.030 . 1 . . . . 24 CYS H . 11205 1 212 . 1 1 24 24 CYS HA H 1 5.135 0.030 . 1 . . . . 24 CYS HA . 11205 1 213 . 1 1 24 24 CYS HB2 H 1 3.425 0.030 . 2 . . . . 24 CYS HB2 . 11205 1 214 . 1 1 24 24 CYS HB3 H 1 2.839 0.030 . 2 . . . . 24 CYS HB3 . 11205 1 215 . 1 1 24 24 CYS C C 13 176.221 0.300 . 1 . . . . 24 CYS C . 11205 1 216 . 1 1 24 24 CYS CA C 13 58.360 0.300 . 1 . . . . 24 CYS CA . 11205 1 217 . 1 1 24 24 CYS CB C 13 32.535 0.300 . 1 . . . . 24 CYS CB . 11205 1 218 . 1 1 24 24 CYS N N 15 114.694 0.300 . 1 . . . . 24 CYS N . 11205 1 219 . 1 1 25 25 GLY H H 1 8.219 0.030 . 1 . . . . 25 GLY H . 11205 1 220 . 1 1 25 25 GLY HA2 H 1 4.243 0.030 . 2 . . . . 25 GLY HA2 . 11205 1 221 . 1 1 25 25 GLY HA3 H 1 3.779 0.030 . 2 . . . . 25 GLY HA3 . 11205 1 222 . 1 1 25 25 GLY C C 13 173.848 0.300 . 1 . . . . 25 GLY C . 11205 1 223 . 1 1 25 25 GLY CA C 13 46.313 0.300 . 1 . . . . 25 GLY CA . 11205 1 224 . 1 1 25 25 GLY N N 15 113.063 0.300 . 1 . . . . 25 GLY N . 11205 1 225 . 1 1 26 26 LYS H H 1 8.039 0.030 . 1 . . . . 26 LYS H . 11205 1 226 . 1 1 26 26 LYS HA H 1 4.031 0.030 . 1 . . . . 26 LYS HA . 11205 1 227 . 1 1 26 26 LYS HB2 H 1 1.398 0.030 . 2 . . . . 26 LYS HB2 . 11205 1 228 . 1 1 26 26 LYS HB3 H 1 1.254 0.030 . 2 . . . . 26 LYS HB3 . 11205 1 229 . 1 1 26 26 LYS HD2 H 1 1.521 0.030 . 2 . . . . 26 LYS HD2 . 11205 1 230 . 1 1 26 26 LYS HD3 H 1 1.464 0.030 . 2 . . . . 26 LYS HD3 . 11205 1 231 . 1 1 26 26 LYS HE2 H 1 2.987 0.030 . 2 . . . . 26 LYS HE2 . 11205 1 232 . 1 1 26 26 LYS HE3 H 1 2.935 0.030 . 2 . . . . 26 LYS HE3 . 11205 1 233 . 1 1 26 26 LYS HG2 H 1 1.479 0.030 . 2 . . . . 26 LYS HG2 . 11205 1 234 . 1 1 26 26 LYS HG3 H 1 1.129 0.030 . 2 . . . . 26 LYS HG3 . 11205 1 235 . 1 1 26 26 LYS C C 13 174.457 0.300 . 1 . . . . 26 LYS C . 11205 1 236 . 1 1 26 26 LYS CA C 13 58.115 0.300 . 1 . . . . 26 LYS CA . 11205 1 237 . 1 1 26 26 LYS CB C 13 33.943 0.300 . 1 . . . . 26 LYS CB . 11205 1 238 . 1 1 26 26 LYS CD C 13 29.389 0.300 . 1 . . . . 26 LYS CD . 11205 1 239 . 1 1 26 26 LYS CE C 13 42.247 0.300 . 1 . . . . 26 LYS CE . 11205 1 240 . 1 1 26 26 LYS CG C 13 26.379 0.300 . 1 . . . . 26 LYS CG . 11205 1 241 . 1 1 26 26 LYS N N 15 123.079 0.300 . 1 . . . . 26 LYS N . 11205 1 242 . 1 1 27 27 SER H H 1 7.966 0.030 . 1 . . . . 27 SER H . 11205 1 243 . 1 1 27 27 SER HA H 1 5.268 0.030 . 1 . . . . 27 SER HA . 11205 1 244 . 1 1 27 27 SER HB2 H 1 3.550 0.030 . 1 . . . . 27 SER HB2 . 11205 1 245 . 1 1 27 27 SER HB3 H 1 3.550 0.030 . 1 . . . . 27 SER HB3 . 11205 1 246 . 1 1 27 27 SER C C 13 172.976 0.300 . 1 . . . . 27 SER C . 11205 1 247 . 1 1 27 27 SER CA C 13 57.078 0.300 . 1 . . . . 27 SER CA . 11205 1 248 . 1 1 27 27 SER CB C 13 66.179 0.300 . 1 . . . . 27 SER CB . 11205 1 249 . 1 1 27 27 SER N N 15 115.150 0.300 . 1 . . . . 27 SER N . 11205 1 250 . 1 1 28 28 PHE H H 1 8.770 0.030 . 1 . . . . 28 PHE H . 11205 1 251 . 1 1 28 28 PHE HA H 1 4.788 0.030 . 1 . . . . 28 PHE HA . 11205 1 252 . 1 1 28 28 PHE HB2 H 1 3.564 0.030 . 2 . . . . 28 PHE HB2 . 11205 1 253 . 1 1 28 28 PHE HB3 H 1 2.647 0.030 . 2 . . . . 28 PHE HB3 . 11205 1 254 . 1 1 28 28 PHE HD1 H 1 7.260 0.030 . 1 . . . . 28 PHE HD1 . 11205 1 255 . 1 1 28 28 PHE HD2 H 1 7.260 0.030 . 1 . . . . 28 PHE HD2 . 11205 1 256 . 1 1 28 28 PHE HE1 H 1 6.854 0.030 . 1 . . . . 28 PHE HE1 . 11205 1 257 . 1 1 28 28 PHE HE2 H 1 6.854 0.030 . 1 . . . . 28 PHE HE2 . 11205 1 258 . 1 1 28 28 PHE HZ H 1 6.192 0.030 . 1 . . . . 28 PHE HZ . 11205 1 259 . 1 1 28 28 PHE C C 13 175.509 0.300 . 1 . . . . 28 PHE C . 11205 1 260 . 1 1 28 28 PHE CA C 13 57.402 0.300 . 1 . . . . 28 PHE CA . 11205 1 261 . 1 1 28 28 PHE CB C 13 43.880 0.300 . 1 . . . . 28 PHE CB . 11205 1 262 . 1 1 28 28 PHE CD1 C 13 132.181 0.300 . 1 . . . . 28 PHE CD1 . 11205 1 263 . 1 1 28 28 PHE CD2 C 13 132.181 0.300 . 1 . . . . 28 PHE CD2 . 11205 1 264 . 1 1 28 28 PHE CE1 C 13 130.550 0.300 . 1 . . . . 28 PHE CE1 . 11205 1 265 . 1 1 28 28 PHE CE2 C 13 130.550 0.300 . 1 . . . . 28 PHE CE2 . 11205 1 266 . 1 1 28 28 PHE CZ C 13 128.712 0.300 . 1 . . . . 28 PHE CZ . 11205 1 267 . 1 1 28 28 PHE N N 15 118.515 0.300 . 1 . . . . 28 PHE N . 11205 1 268 . 1 1 29 29 SER HA H 1 4.696 0.030 . 1 . . . . 29 SER HA . 11205 1 269 . 1 1 29 29 SER HB2 H 1 3.884 0.030 . 2 . . . . 29 SER HB2 . 11205 1 270 . 1 1 29 29 SER HB3 H 1 3.804 0.030 . 2 . . . . 29 SER HB3 . 11205 1 271 . 1 1 29 29 SER C C 13 173.512 0.300 . 1 . . . . 29 SER C . 11205 1 272 . 1 1 29 29 SER CA C 13 60.024 0.300 . 1 . . . . 29 SER CA . 11205 1 273 . 1 1 29 29 SER CB C 13 63.974 0.300 . 1 . . . . 29 SER CB . 11205 1 274 . 1 1 30 30 HIS H H 1 7.661 0.030 . 1 . . . . 30 HIS H . 11205 1 275 . 1 1 30 30 HIS HA H 1 4.832 0.030 . 1 . . . . 30 HIS HA . 11205 1 276 . 1 1 30 30 HIS HB2 H 1 3.131 0.030 . 2 . . . . 30 HIS HB2 . 11205 1 277 . 1 1 30 30 HIS HB3 H 1 2.945 0.030 . 2 . . . . 30 HIS HB3 . 11205 1 278 . 1 1 30 30 HIS HD2 H 1 7.172 0.030 . 1 . . . . 30 HIS HD2 . 11205 1 279 . 1 1 30 30 HIS HE1 H 1 7.792 0.030 . 1 . . . . 30 HIS HE1 . 11205 1 280 . 1 1 30 30 HIS C C 13 175.885 0.300 . 1 . . . . 30 HIS C . 11205 1 281 . 1 1 30 30 HIS CA C 13 55.561 0.300 . 1 . . . . 30 HIS CA . 11205 1 282 . 1 1 30 30 HIS CB C 13 33.677 0.300 . 1 . . . . 30 HIS CB . 11205 1 283 . 1 1 30 30 HIS CD2 C 13 119.820 0.300 . 1 . . . . 30 HIS CD2 . 11205 1 284 . 1 1 30 30 HIS CE1 C 13 138.600 0.300 . 1 . . . . 30 HIS CE1 . 11205 1 285 . 1 1 30 30 HIS N N 15 117.407 0.300 . 1 . . . . 30 HIS N . 11205 1 286 . 1 1 31 31 SER HA H 1 3.141 0.030 . 1 . . . . 31 SER HA . 11205 1 287 . 1 1 31 31 SER HB2 H 1 3.530 0.030 . 2 . . . . 31 SER HB2 . 11205 1 288 . 1 1 31 31 SER HB3 H 1 3.323 0.030 . 2 . . . . 31 SER HB3 . 11205 1 289 . 1 1 31 31 SER CA C 13 61.251 0.300 . 1 . . . . 31 SER CA . 11205 1 290 . 1 1 31 31 SER CB C 13 61.921 0.300 . 1 . . . . 31 SER CB . 11205 1 291 . 1 1 32 32 SER HA H 1 4.171 0.030 . 1 . . . . 32 SER HA . 11205 1 292 . 1 1 32 32 SER HB2 H 1 3.884 0.030 . 1 . . . . 32 SER HB2 . 11205 1 293 . 1 1 32 32 SER HB3 H 1 3.884 0.030 . 1 . . . . 32 SER HB3 . 11205 1 294 . 1 1 32 32 SER C C 13 176.924 0.300 . 1 . . . . 32 SER C . 11205 1 295 . 1 1 32 32 SER CA C 13 61.111 0.300 . 1 . . . . 32 SER CA . 11205 1 296 . 1 1 32 32 SER CB C 13 62.002 0.300 . 1 . . . . 32 SER CB . 11205 1 297 . 1 1 33 33 ASP H H 1 7.021 0.030 . 1 . . . . 33 ASP H . 11205 1 298 . 1 1 33 33 ASP HA H 1 4.383 0.030 . 1 . . . . 33 ASP HA . 11205 1 299 . 1 1 33 33 ASP HB2 H 1 2.854 0.030 . 2 . . . . 33 ASP HB2 . 11205 1 300 . 1 1 33 33 ASP HB3 H 1 2.716 0.030 . 2 . . . . 33 ASP HB3 . 11205 1 301 . 1 1 33 33 ASP C C 13 178.668 0.300 . 1 . . . . 33 ASP C . 11205 1 302 . 1 1 33 33 ASP CA C 13 56.787 0.300 . 1 . . . . 33 ASP CA . 11205 1 303 . 1 1 33 33 ASP CB C 13 40.802 0.300 . 1 . . . . 33 ASP CB . 11205 1 304 . 1 1 33 33 ASP N N 15 121.694 0.300 . 1 . . . . 33 ASP N . 11205 1 305 . 1 1 34 34 LEU H H 1 7.016 0.030 . 1 . . . . 34 LEU H . 11205 1 306 . 1 1 34 34 LEU HA H 1 3.329 0.030 . 1 . . . . 34 LEU HA . 11205 1 307 . 1 1 34 34 LEU HB2 H 1 1.235 0.030 . 2 . . . . 34 LEU HB2 . 11205 1 308 . 1 1 34 34 LEU HB3 H 1 1.950 0.030 . 2 . . . . 34 LEU HB3 . 11205 1 309 . 1 1 34 34 LEU HD11 H 1 1.032 0.030 . 1 . . . . 34 LEU HD1 . 11205 1 310 . 1 1 34 34 LEU HD12 H 1 1.032 0.030 . 1 . . . . 34 LEU HD1 . 11205 1 311 . 1 1 34 34 LEU HD13 H 1 1.032 0.030 . 1 . . . . 34 LEU HD1 . 11205 1 312 . 1 1 34 34 LEU HD21 H 1 1.015 0.030 . 1 . . . . 34 LEU HD2 . 11205 1 313 . 1 1 34 34 LEU HD22 H 1 1.015 0.030 . 1 . . . . 34 LEU HD2 . 11205 1 314 . 1 1 34 34 LEU HD23 H 1 1.015 0.030 . 1 . . . . 34 LEU HD2 . 11205 1 315 . 1 1 34 34 LEU HG H 1 1.545 0.030 . 1 . . . . 34 LEU HG . 11205 1 316 . 1 1 34 34 LEU C C 13 177.630 0.300 . 1 . . . . 34 LEU C . 11205 1 317 . 1 1 34 34 LEU CA C 13 57.795 0.300 . 1 . . . . 34 LEU CA . 11205 1 318 . 1 1 34 34 LEU CB C 13 40.157 0.300 . 1 . . . . 34 LEU CB . 11205 1 319 . 1 1 34 34 LEU CD1 C 13 26.600 0.300 . 2 . . . . 34 LEU CD1 . 11205 1 320 . 1 1 34 34 LEU CD2 C 13 22.628 0.300 . 2 . . . . 34 LEU CD2 . 11205 1 321 . 1 1 34 34 LEU CG C 13 27.596 0.300 . 1 . . . . 34 LEU CG . 11205 1 322 . 1 1 34 34 LEU N N 15 121.443 0.300 . 1 . . . . 34 LEU N . 11205 1 323 . 1 1 35 35 SER H H 1 8.202 0.030 . 1 . . . . 35 SER H . 11205 1 324 . 1 1 35 35 SER HA H 1 4.040 0.030 . 1 . . . . 35 SER HA . 11205 1 325 . 1 1 35 35 SER HB2 H 1 3.910 0.030 . 1 . . . . 35 SER HB2 . 11205 1 326 . 1 1 35 35 SER HB3 H 1 3.910 0.030 . 1 . . . . 35 SER HB3 . 11205 1 327 . 1 1 35 35 SER C C 13 177.303 0.300 . 1 . . . . 35 SER C . 11205 1 328 . 1 1 35 35 SER CA C 13 62.096 0.300 . 1 . . . . 35 SER CA . 11205 1 329 . 1 1 35 35 SER CB C 13 62.364 0.300 . 1 . . . . 35 SER CB . 11205 1 330 . 1 1 35 35 SER N N 15 114.947 0.300 . 1 . . . . 35 SER N . 11205 1 331 . 1 1 36 36 LYS H H 1 7.601 0.030 . 1 . . . . 36 LYS H . 11205 1 332 . 1 1 36 36 LYS HA H 1 3.925 0.030 . 1 . . . . 36 LYS HA . 11205 1 333 . 1 1 36 36 LYS HB2 H 1 1.817 0.030 . 1 . . . . 36 LYS HB2 . 11205 1 334 . 1 1 36 36 LYS HB3 H 1 1.817 0.030 . 1 . . . . 36 LYS HB3 . 11205 1 335 . 1 1 36 36 LYS HD2 H 1 1.677 0.030 . 2 . . . . 36 LYS HD2 . 11205 1 336 . 1 1 36 36 LYS HD3 H 1 1.650 0.030 . 2 . . . . 36 LYS HD3 . 11205 1 337 . 1 1 36 36 LYS HE2 H 1 2.930 0.030 . 1 . . . . 36 LYS HE2 . 11205 1 338 . 1 1 36 36 LYS HE3 H 1 2.930 0.030 . 1 . . . . 36 LYS HE3 . 11205 1 339 . 1 1 36 36 LYS HG2 H 1 1.539 0.030 . 2 . . . . 36 LYS HG2 . 11205 1 340 . 1 1 36 36 LYS HG3 H 1 1.366 0.030 . 2 . . . . 36 LYS HG3 . 11205 1 341 . 1 1 36 36 LYS C C 13 178.993 0.300 . 1 . . . . 36 LYS C . 11205 1 342 . 1 1 36 36 LYS CA C 13 59.680 0.300 . 1 . . . . 36 LYS CA . 11205 1 343 . 1 1 36 36 LYS CB C 13 32.636 0.300 . 1 . . . . 36 LYS CB . 11205 1 344 . 1 1 36 36 LYS CD C 13 29.514 0.300 . 1 . . . . 36 LYS CD . 11205 1 345 . 1 1 36 36 LYS CE C 13 42.134 0.300 . 1 . . . . 36 LYS CE . 11205 1 346 . 1 1 36 36 LYS CG C 13 25.252 0.300 . 1 . . . . 36 LYS CG . 11205 1 347 . 1 1 36 36 LYS N N 15 120.238 0.300 . 1 . . . . 36 LYS N . 11205 1 348 . 1 1 37 37 HIS H H 1 7.662 0.030 . 1 . . . . 37 HIS H . 11205 1 349 . 1 1 37 37 HIS HA H 1 4.250 0.030 . 1 . . . . 37 HIS HA . 11205 1 350 . 1 1 37 37 HIS HB2 H 1 3.040 0.030 . 2 . . . . 37 HIS HB2 . 11205 1 351 . 1 1 37 37 HIS HB3 H 1 2.874 0.030 . 2 . . . . 37 HIS HB3 . 11205 1 352 . 1 1 37 37 HIS HD2 H 1 6.932 0.030 . 1 . . . . 37 HIS HD2 . 11205 1 353 . 1 1 37 37 HIS HE1 H 1 8.012 0.030 . 1 . . . . 37 HIS HE1 . 11205 1 354 . 1 1 37 37 HIS C C 13 178.104 0.300 . 1 . . . . 37 HIS C . 11205 1 355 . 1 1 37 37 HIS CA C 13 59.011 0.300 . 1 . . . . 37 HIS CA . 11205 1 356 . 1 1 37 37 HIS CB C 13 28.541 0.300 . 1 . . . . 37 HIS CB . 11205 1 357 . 1 1 37 37 HIS CD2 C 13 127.230 0.300 . 1 . . . . 37 HIS CD2 . 11205 1 358 . 1 1 37 37 HIS CE1 C 13 139.621 0.300 . 1 . . . . 37 HIS CE1 . 11205 1 359 . 1 1 37 37 HIS N N 15 118.664 0.300 . 1 . . . . 37 HIS N . 11205 1 360 . 1 1 38 38 ARG H H 1 8.780 0.030 . 1 . . . . 38 ARG H . 11205 1 361 . 1 1 38 38 ARG HA H 1 3.722 0.030 . 1 . . . . 38 ARG HA . 11205 1 362 . 1 1 38 38 ARG HB2 H 1 2.062 0.030 . 2 . . . . 38 ARG HB2 . 11205 1 363 . 1 1 38 38 ARG HB3 H 1 1.968 0.030 . 2 . . . . 38 ARG HB3 . 11205 1 364 . 1 1 38 38 ARG HD2 H 1 3.396 0.030 . 2 . . . . 38 ARG HD2 . 11205 1 365 . 1 1 38 38 ARG HD3 H 1 3.328 0.030 . 2 . . . . 38 ARG HD3 . 11205 1 366 . 1 1 38 38 ARG HG2 H 1 2.065 0.030 . 1 . . . . 38 ARG HG2 . 11205 1 367 . 1 1 38 38 ARG HG3 H 1 2.065 0.030 . 1 . . . . 38 ARG HG3 . 11205 1 368 . 1 1 38 38 ARG C C 13 178.152 0.300 . 1 . . . . 38 ARG C . 11205 1 369 . 1 1 38 38 ARG CA C 13 60.251 0.300 . 1 . . . . 38 ARG CA . 11205 1 370 . 1 1 38 38 ARG CB C 13 29.874 0.300 . 1 . . . . 38 ARG CB . 11205 1 371 . 1 1 38 38 ARG CD C 13 43.603 0.300 . 1 . . . . 38 ARG CD . 11205 1 372 . 1 1 38 38 ARG CG C 13 28.695 0.300 . 1 . . . . 38 ARG CG . 11205 1 373 . 1 1 38 38 ARG N N 15 120.555 0.300 . 1 . . . . 38 ARG N . 11205 1 374 . 1 1 39 39 ARG H H 1 7.148 0.030 . 1 . . . . 39 ARG H . 11205 1 375 . 1 1 39 39 ARG HA H 1 4.164 0.030 . 1 . . . . 39 ARG HA . 11205 1 376 . 1 1 39 39 ARG HB2 H 1 1.938 0.030 . 2 . . . . 39 ARG HB2 . 11205 1 377 . 1 1 39 39 ARG HB3 H 1 1.845 0.030 . 2 . . . . 39 ARG HB3 . 11205 1 378 . 1 1 39 39 ARG HD2 H 1 3.200 0.030 . 1 . . . . 39 ARG HD2 . 11205 1 379 . 1 1 39 39 ARG HD3 H 1 3.200 0.030 . 1 . . . . 39 ARG HD3 . 11205 1 380 . 1 1 39 39 ARG HG2 H 1 1.697 0.030 . 2 . . . . 39 ARG HG2 . 11205 1 381 . 1 1 39 39 ARG HG3 H 1 1.832 0.030 . 2 . . . . 39 ARG HG3 . 11205 1 382 . 1 1 39 39 ARG C C 13 177.932 0.300 . 1 . . . . 39 ARG C . 11205 1 383 . 1 1 39 39 ARG CA C 13 58.234 0.300 . 1 . . . . 39 ARG CA . 11205 1 384 . 1 1 39 39 ARG CB C 13 29.949 0.300 . 1 . . . . 39 ARG CB . 11205 1 385 . 1 1 39 39 ARG CD C 13 43.494 0.300 . 1 . . . . 39 ARG CD . 11205 1 386 . 1 1 39 39 ARG CG C 13 27.504 0.300 . 1 . . . . 39 ARG CG . 11205 1 387 . 1 1 39 39 ARG N N 15 116.539 0.300 . 1 . . . . 39 ARG N . 11205 1 388 . 1 1 40 40 THR H H 1 7.756 0.030 . 1 . . . . 40 THR H . 11205 1 389 . 1 1 40 40 THR HA H 1 4.132 0.030 . 1 . . . . 40 THR HA . 11205 1 390 . 1 1 40 40 THR HB H 1 4.034 0.030 . 1 . . . . 40 THR HB . 11205 1 391 . 1 1 40 40 THR HG21 H 1 1.145 0.030 . 1 . . . . 40 THR HG2 . 11205 1 392 . 1 1 40 40 THR HG22 H 1 1.145 0.030 . 1 . . . . 40 THR HG2 . 11205 1 393 . 1 1 40 40 THR HG23 H 1 1.145 0.030 . 1 . . . . 40 THR HG2 . 11205 1 394 . 1 1 40 40 THR C C 13 175.451 0.300 . 1 . . . . 40 THR C . 11205 1 395 . 1 1 40 40 THR CA C 13 63.738 0.300 . 1 . . . . 40 THR CA . 11205 1 396 . 1 1 40 40 THR CB C 13 69.442 0.300 . 1 . . . . 40 THR CB . 11205 1 397 . 1 1 40 40 THR CG2 C 13 20.996 0.300 . 1 . . . . 40 THR CG2 . 11205 1 398 . 1 1 40 40 THR N N 15 109.653 0.300 . 1 . . . . 40 THR N . 11205 1 399 . 1 1 41 41 HIS H H 1 7.193 0.030 . 1 . . . . 41 HIS H . 11205 1 400 . 1 1 41 41 HIS HA H 1 4.915 0.030 . 1 . . . . 41 HIS HA . 11205 1 401 . 1 1 41 41 HIS HB2 H 1 3.165 0.030 . 2 . . . . 41 HIS HB2 . 11205 1 402 . 1 1 41 41 HIS HB3 H 1 3.283 0.030 . 2 . . . . 41 HIS HB3 . 11205 1 403 . 1 1 41 41 HIS HD2 H 1 6.647 0.030 . 1 . . . . 41 HIS HD2 . 11205 1 404 . 1 1 41 41 HIS HE1 H 1 8.018 0.030 . 1 . . . . 41 HIS HE1 . 11205 1 405 . 1 1 41 41 HIS C C 13 175.446 0.300 . 1 . . . . 41 HIS C . 11205 1 406 . 1 1 41 41 HIS CA C 13 55.280 0.300 . 1 . . . . 41 HIS CA . 11205 1 407 . 1 1 41 41 HIS CB C 13 28.642 0.300 . 1 . . . . 41 HIS CB . 11205 1 408 . 1 1 41 41 HIS CD2 C 13 127.020 0.300 . 1 . . . . 41 HIS CD2 . 11205 1 409 . 1 1 41 41 HIS CE1 C 13 139.683 0.300 . 1 . . . . 41 HIS CE1 . 11205 1 410 . 1 1 41 41 HIS N N 15 118.917 0.300 . 1 . . . . 41 HIS N . 11205 1 411 . 1 1 42 42 THR H H 1 7.848 0.030 . 1 . . . . 42 THR H . 11205 1 412 . 1 1 42 42 THR HA H 1 4.350 0.030 . 1 . . . . 42 THR HA . 11205 1 413 . 1 1 42 42 THR HB H 1 4.290 0.030 . 1 . . . . 42 THR HB . 11205 1 414 . 1 1 42 42 THR HG21 H 1 1.204 0.030 . 1 . . . . 42 THR HG2 . 11205 1 415 . 1 1 42 42 THR HG22 H 1 1.204 0.030 . 1 . . . . 42 THR HG2 . 11205 1 416 . 1 1 42 42 THR HG23 H 1 1.204 0.030 . 1 . . . . 42 THR HG2 . 11205 1 417 . 1 1 42 42 THR C C 13 175.145 0.300 . 1 . . . . 42 THR C . 11205 1 418 . 1 1 42 42 THR CA C 13 62.314 0.300 . 1 . . . . 42 THR CA . 11205 1 419 . 1 1 42 42 THR CB C 13 69.853 0.300 . 1 . . . . 42 THR CB . 11205 1 420 . 1 1 42 42 THR CG2 C 13 21.537 0.300 . 1 . . . . 42 THR CG2 . 11205 1 421 . 1 1 42 42 THR N N 15 113.134 0.300 . 1 . . . . 42 THR N . 11205 1 422 . 1 1 43 43 GLY H H 1 8.350 0.030 . 1 . . . . 43 GLY H . 11205 1 423 . 1 1 43 43 GLY HA2 H 1 4.002 0.030 . 2 . . . . 43 GLY HA2 . 11205 1 424 . 1 1 43 43 GLY HA3 H 1 3.929 0.030 . 2 . . . . 43 GLY HA3 . 11205 1 425 . 1 1 43 43 GLY C C 13 174.036 0.300 . 1 . . . . 43 GLY C . 11205 1 426 . 1 1 43 43 GLY CA C 13 45.279 0.300 . 1 . . . . 43 GLY CA . 11205 1 427 . 1 1 43 43 GLY N N 15 110.795 0.300 . 1 . . . . 43 GLY N . 11205 1 428 . 1 1 44 44 GLU H H 1 8.128 0.030 . 1 . . . . 44 GLU H . 11205 1 429 . 1 1 44 44 GLU HA H 1 4.174 0.030 . 1 . . . . 44 GLU HA . 11205 1 430 . 1 1 44 44 GLU HB2 H 1 1.968 0.030 . 2 . . . . 44 GLU HB2 . 11205 1 431 . 1 1 44 44 GLU HB3 H 1 1.918 0.030 . 2 . . . . 44 GLU HB3 . 11205 1 432 . 1 1 44 44 GLU HG2 H 1 2.261 0.030 . 1 . . . . 44 GLU HG2 . 11205 1 433 . 1 1 44 44 GLU HG3 H 1 2.261 0.030 . 1 . . . . 44 GLU HG3 . 11205 1 434 . 1 1 44 44 GLU C C 13 176.197 0.300 . 1 . . . . 44 GLU C . 11205 1 435 . 1 1 44 44 GLU CA C 13 56.792 0.300 . 1 . . . . 44 GLU CA . 11205 1 436 . 1 1 44 44 GLU CB C 13 30.490 0.300 . 1 . . . . 44 GLU CB . 11205 1 437 . 1 1 44 44 GLU CG C 13 36.347 0.300 . 1 . . . . 44 GLU CG . 11205 1 438 . 1 1 44 44 GLU N N 15 120.351 0.300 . 1 . . . . 44 GLU N . 11205 1 439 . 1 1 45 45 LYS H H 1 8.222 0.030 . 1 . . . . 45 LYS H . 11205 1 440 . 1 1 45 45 LYS HA H 1 4.549 0.030 . 1 . . . . 45 LYS HA . 11205 1 441 . 1 1 45 45 LYS HB2 H 1 1.587 0.030 . 2 . . . . 45 LYS HB2 . 11205 1 442 . 1 1 45 45 LYS HB3 H 1 1.474 0.030 . 2 . . . . 45 LYS HB3 . 11205 1 443 . 1 1 45 45 LYS HD2 H 1 1.498 0.030 . 1 . . . . 45 LYS HD2 . 11205 1 444 . 1 1 45 45 LYS HD3 H 1 1.498 0.030 . 1 . . . . 45 LYS HD3 . 11205 1 445 . 1 1 45 45 LYS HE2 H 1 2.907 0.030 . 1 . . . . 45 LYS HE2 . 11205 1 446 . 1 1 45 45 LYS HE3 H 1 2.907 0.030 . 1 . . . . 45 LYS HE3 . 11205 1 447 . 1 1 45 45 LYS HG2 H 1 1.369 0.030 . 2 . . . . 45 LYS HG2 . 11205 1 448 . 1 1 45 45 LYS HG3 H 1 1.193 0.030 . 2 . . . . 45 LYS HG3 . 11205 1 449 . 1 1 45 45 LYS C C 13 174.426 0.300 . 1 . . . . 45 LYS C . 11205 1 450 . 1 1 45 45 LYS CA C 13 53.855 0.300 . 1 . . . . 45 LYS CA . 11205 1 451 . 1 1 45 45 LYS CB C 13 33.025 0.300 . 1 . . . . 45 LYS CB . 11205 1 452 . 1 1 45 45 LYS CD C 13 29.520 0.300 . 1 . . . . 45 LYS CD . 11205 1 453 . 1 1 45 45 LYS CE C 13 42.315 0.300 . 1 . . . . 45 LYS CE . 11205 1 454 . 1 1 45 45 LYS CG C 13 25.096 0.300 . 1 . . . . 45 LYS CG . 11205 1 455 . 1 1 45 45 LYS N N 15 121.818 0.300 . 1 . . . . 45 LYS N . 11205 1 456 . 1 1 46 46 PRO HA H 1 4.251 0.030 . 1 . . . . 46 PRO HA . 11205 1 457 . 1 1 46 46 PRO HB2 H 1 2.012 0.030 . 2 . . . . 46 PRO HB2 . 11205 1 458 . 1 1 46 46 PRO HB3 H 1 1.206 0.030 . 2 . . . . 46 PRO HB3 . 11205 1 459 . 1 1 46 46 PRO HD2 H 1 3.711 0.030 . 2 . . . . 46 PRO HD2 . 11205 1 460 . 1 1 46 46 PRO HD3 H 1 3.685 0.030 . 2 . . . . 46 PRO HD3 . 11205 1 461 . 1 1 46 46 PRO HG2 H 1 1.823 0.030 . 2 . . . . 46 PRO HG2 . 11205 1 462 . 1 1 46 46 PRO HG3 H 1 1.676 0.030 . 2 . . . . 46 PRO HG3 . 11205 1 463 . 1 1 46 46 PRO C C 13 176.452 0.300 . 1 . . . . 46 PRO C . 11205 1 464 . 1 1 46 46 PRO CA C 13 63.616 0.300 . 1 . . . . 46 PRO CA . 11205 1 465 . 1 1 46 46 PRO CB C 13 32.326 0.300 . 1 . . . . 46 PRO CB . 11205 1 466 . 1 1 46 46 PRO CD C 13 50.526 0.300 . 1 . . . . 46 PRO CD . 11205 1 467 . 1 1 46 46 PRO CG C 13 26.831 0.300 . 1 . . . . 46 PRO CG . 11205 1 468 . 1 1 47 47 TYR H H 1 7.812 0.030 . 1 . . . . 47 TYR H . 11205 1 469 . 1 1 47 47 TYR HA H 1 4.687 0.030 . 1 . . . . 47 TYR HA . 11205 1 470 . 1 1 47 47 TYR HB2 H 1 2.993 0.030 . 2 . . . . 47 TYR HB2 . 11205 1 471 . 1 1 47 47 TYR HB3 H 1 2.818 0.030 . 2 . . . . 47 TYR HB3 . 11205 1 472 . 1 1 47 47 TYR HD1 H 1 7.000 0.030 . 1 . . . . 47 TYR HD1 . 11205 1 473 . 1 1 47 47 TYR HD2 H 1 7.000 0.030 . 1 . . . . 47 TYR HD2 . 11205 1 474 . 1 1 47 47 TYR HE1 H 1 6.874 0.030 . 1 . . . . 47 TYR HE1 . 11205 1 475 . 1 1 47 47 TYR HE2 H 1 6.874 0.030 . 1 . . . . 47 TYR HE2 . 11205 1 476 . 1 1 47 47 TYR C C 13 174.469 0.300 . 1 . . . . 47 TYR C . 11205 1 477 . 1 1 47 47 TYR CA C 13 57.443 0.300 . 1 . . . . 47 TYR CA . 11205 1 478 . 1 1 47 47 TYR CB C 13 38.817 0.300 . 1 . . . . 47 TYR CB . 11205 1 479 . 1 1 47 47 TYR CD1 C 13 133.083 0.300 . 1 . . . . 47 TYR CD1 . 11205 1 480 . 1 1 47 47 TYR CD2 C 13 133.083 0.300 . 1 . . . . 47 TYR CD2 . 11205 1 481 . 1 1 47 47 TYR CE1 C 13 118.345 0.300 . 1 . . . . 47 TYR CE1 . 11205 1 482 . 1 1 47 47 TYR CE2 C 13 118.345 0.300 . 1 . . . . 47 TYR CE2 . 11205 1 483 . 1 1 47 47 TYR N N 15 118.097 0.300 . 1 . . . . 47 TYR N . 11205 1 484 . 1 1 48 48 LYS H H 1 8.674 0.030 . 1 . . . . 48 LYS H . 11205 1 485 . 1 1 48 48 LYS HA H 1 5.052 0.030 . 1 . . . . 48 LYS HA . 11205 1 486 . 1 1 48 48 LYS HB2 H 1 1.674 0.030 . 2 . . . . 48 LYS HB2 . 11205 1 487 . 1 1 48 48 LYS HB3 H 1 1.618 0.030 . 2 . . . . 48 LYS HB3 . 11205 1 488 . 1 1 48 48 LYS HD2 H 1 1.611 0.030 . 1 . . . . 48 LYS HD2 . 11205 1 489 . 1 1 48 48 LYS HD3 H 1 1.611 0.030 . 1 . . . . 48 LYS HD3 . 11205 1 490 . 1 1 48 48 LYS HE2 H 1 2.953 0.030 . 1 . . . . 48 LYS HE2 . 11205 1 491 . 1 1 48 48 LYS HE3 H 1 2.953 0.030 . 1 . . . . 48 LYS HE3 . 11205 1 492 . 1 1 48 48 LYS HG2 H 1 1.220 0.030 . 1 . . . . 48 LYS HG2 . 11205 1 493 . 1 1 48 48 LYS HG3 H 1 1.220 0.030 . 1 . . . . 48 LYS HG3 . 11205 1 494 . 1 1 48 48 LYS C C 13 175.155 0.300 . 1 . . . . 48 LYS C . 11205 1 495 . 1 1 48 48 LYS CA C 13 55.087 0.300 . 1 . . . . 48 LYS CA . 11205 1 496 . 1 1 48 48 LYS CB C 13 35.551 0.300 . 1 . . . . 48 LYS CB . 11205 1 497 . 1 1 48 48 LYS CD C 13 29.432 0.300 . 1 . . . . 48 LYS CD . 11205 1 498 . 1 1 48 48 LYS CE C 13 42.134 0.300 . 1 . . . . 48 LYS CE . 11205 1 499 . 1 1 48 48 LYS CG C 13 24.816 0.300 . 1 . . . . 48 LYS CG . 11205 1 500 . 1 1 48 48 LYS N N 15 124.435 0.300 . 1 . . . . 48 LYS N . 11205 1 501 . 1 1 49 49 CYS H H 1 9.224 0.030 . 1 . . . . 49 CYS H . 11205 1 502 . 1 1 49 49 CYS HA H 1 4.652 0.030 . 1 . . . . 49 CYS HA . 11205 1 503 . 1 1 49 49 CYS HB2 H 1 3.397 0.030 . 2 . . . . 49 CYS HB2 . 11205 1 504 . 1 1 49 49 CYS HB3 H 1 2.887 0.030 . 2 . . . . 49 CYS HB3 . 11205 1 505 . 1 1 49 49 CYS C C 13 177.225 0.300 . 1 . . . . 49 CYS C . 11205 1 506 . 1 1 49 49 CYS CA C 13 59.544 0.300 . 1 . . . . 49 CYS CA . 11205 1 507 . 1 1 49 49 CYS CB C 13 30.024 0.300 . 1 . . . . 49 CYS CB . 11205 1 508 . 1 1 49 49 CYS N N 15 126.627 0.300 . 1 . . . . 49 CYS N . 11205 1 509 . 1 1 50 50 ASP H H 1 9.445 0.030 . 1 . . . . 50 ASP H . 11205 1 510 . 1 1 50 50 ASP HA H 1 4.482 0.030 . 1 . . . . 50 ASP HA . 11205 1 511 . 1 1 50 50 ASP HB2 H 1 2.775 0.030 . 1 . . . . 50 ASP HB2 . 11205 1 512 . 1 1 50 50 ASP HB3 H 1 2.775 0.030 . 1 . . . . 50 ASP HB3 . 11205 1 513 . 1 1 50 50 ASP C C 13 176.419 0.300 . 1 . . . . 50 ASP C . 11205 1 514 . 1 1 50 50 ASP CA C 13 56.880 0.300 . 1 . . . . 50 ASP CA . 11205 1 515 . 1 1 50 50 ASP CB C 13 40.953 0.300 . 1 . . . . 50 ASP CB . 11205 1 516 . 1 1 50 50 ASP N N 15 132.025 0.300 . 1 . . . . 50 ASP N . 11205 1 517 . 1 1 51 51 GLU H H 1 8.871 0.030 . 1 . . . . 51 GLU H . 11205 1 518 . 1 1 51 51 GLU HA H 1 4.244 0.030 . 1 . . . . 51 GLU HA . 11205 1 519 . 1 1 51 51 GLU HB2 H 1 1.329 0.030 . 1 . . . . 51 GLU HB2 . 11205 1 520 . 1 1 51 51 GLU HB3 H 1 1.329 0.030 . 1 . . . . 51 GLU HB3 . 11205 1 521 . 1 1 51 51 GLU HG2 H 1 1.867 0.030 . 2 . . . . 51 GLU HG2 . 11205 1 522 . 1 1 51 51 GLU HG3 H 1 1.813 0.030 . 2 . . . . 51 GLU HG3 . 11205 1 523 . 1 1 51 51 GLU C C 13 177.341 0.300 . 1 . . . . 51 GLU C . 11205 1 524 . 1 1 51 51 GLU CA C 13 58.305 0.300 . 1 . . . . 51 GLU CA . 11205 1 525 . 1 1 51 51 GLU CB C 13 29.622 0.300 . 1 . . . . 51 GLU CB . 11205 1 526 . 1 1 51 51 GLU CG C 13 35.576 0.300 . 1 . . . . 51 GLU CG . 11205 1 527 . 1 1 51 51 GLU N N 15 121.183 0.300 . 1 . . . . 51 GLU N . 11205 1 528 . 1 1 52 52 CYS H H 1 8.119 0.030 . 1 . . . . 52 CYS H . 11205 1 529 . 1 1 52 52 CYS HA H 1 5.180 0.030 . 1 . . . . 52 CYS HA . 11205 1 530 . 1 1 52 52 CYS HB2 H 1 3.451 0.030 . 2 . . . . 52 CYS HB2 . 11205 1 531 . 1 1 52 52 CYS HB3 H 1 2.883 0.030 . 2 . . . . 52 CYS HB3 . 11205 1 532 . 1 1 52 52 CYS C C 13 176.365 0.300 . 1 . . . . 52 CYS C . 11205 1 533 . 1 1 52 52 CYS CA C 13 58.441 0.300 . 1 . . . . 52 CYS CA . 11205 1 534 . 1 1 52 52 CYS CB C 13 32.636 0.300 . 1 . . . . 52 CYS CB . 11205 1 535 . 1 1 52 52 CYS N N 15 115.184 0.300 . 1 . . . . 52 CYS N . 11205 1 536 . 1 1 53 53 GLY H H 1 8.151 0.030 . 1 . . . . 53 GLY H . 11205 1 537 . 1 1 53 53 GLY HA2 H 1 4.245 0.030 . 2 . . . . 53 GLY HA2 . 11205 1 538 . 1 1 53 53 GLY HA3 H 1 3.816 0.030 . 2 . . . . 53 GLY HA3 . 11205 1 539 . 1 1 53 53 GLY C C 13 173.671 0.300 . 1 . . . . 53 GLY C . 11205 1 540 . 1 1 53 53 GLY CA C 13 46.301 0.300 . 1 . . . . 53 GLY CA . 11205 1 541 . 1 1 53 53 GLY N N 15 113.265 0.300 . 1 . . . . 53 GLY N . 11205 1 542 . 1 1 54 54 LYS H H 1 8.017 0.030 . 1 . . . . 54 LYS H . 11205 1 543 . 1 1 54 54 LYS HA H 1 3.909 0.030 . 1 . . . . 54 LYS HA . 11205 1 544 . 1 1 54 54 LYS HB2 H 1 1.433 0.030 . 2 . . . . 54 LYS HB2 . 11205 1 545 . 1 1 54 54 LYS HB3 H 1 1.172 0.030 . 2 . . . . 54 LYS HB3 . 11205 1 546 . 1 1 54 54 LYS HD2 H 1 1.505 0.030 . 2 . . . . 54 LYS HD2 . 11205 1 547 . 1 1 54 54 LYS HD3 H 1 1.442 0.030 . 2 . . . . 54 LYS HD3 . 11205 1 548 . 1 1 54 54 LYS HE2 H 1 2.970 0.030 . 2 . . . . 54 LYS HE2 . 11205 1 549 . 1 1 54 54 LYS HE3 H 1 2.905 0.030 . 2 . . . . 54 LYS HE3 . 11205 1 550 . 1 1 54 54 LYS HG2 H 1 1.368 0.030 . 2 . . . . 54 LYS HG2 . 11205 1 551 . 1 1 54 54 LYS HG3 H 1 1.024 0.030 . 2 . . . . 54 LYS HG3 . 11205 1 552 . 1 1 54 54 LYS C C 13 173.567 0.300 . 1 . . . . 54 LYS C . 11205 1 553 . 1 1 54 54 LYS CA C 13 58.344 0.300 . 1 . . . . 54 LYS CA . 11205 1 554 . 1 1 54 54 LYS CB C 13 33.617 0.300 . 1 . . . . 54 LYS CB . 11205 1 555 . 1 1 54 54 LYS CD C 13 29.399 0.300 . 1 . . . . 54 LYS CD . 11205 1 556 . 1 1 54 54 LYS CE C 13 42.247 0.300 . 1 . . . . 54 LYS CE . 11205 1 557 . 1 1 54 54 LYS CG C 13 26.200 0.300 . 1 . . . . 54 LYS CG . 11205 1 558 . 1 1 54 54 LYS N N 15 123.343 0.300 . 1 . . . . 54 LYS N . 11205 1 559 . 1 1 55 55 ALA H H 1 7.776 0.030 . 1 . . . . 55 ALA H . 11205 1 560 . 1 1 55 55 ALA HA H 1 5.170 0.030 . 1 . . . . 55 ALA HA . 11205 1 561 . 1 1 55 55 ALA HB1 H 1 1.205 0.030 . 1 . . . . 55 ALA HB . 11205 1 562 . 1 1 55 55 ALA HB2 H 1 1.205 0.030 . 1 . . . . 55 ALA HB . 11205 1 563 . 1 1 55 55 ALA HB3 H 1 1.205 0.030 . 1 . . . . 55 ALA HB . 11205 1 564 . 1 1 55 55 ALA C C 13 176.225 0.300 . 1 . . . . 55 ALA C . 11205 1 565 . 1 1 55 55 ALA CA C 13 50.316 0.300 . 1 . . . . 55 ALA CA . 11205 1 566 . 1 1 55 55 ALA CB C 13 22.576 0.300 . 1 . . . . 55 ALA CB . 11205 1 567 . 1 1 55 55 ALA N N 15 124.093 0.300 . 1 . . . . 55 ALA N . 11205 1 568 . 1 1 56 56 PHE H H 1 8.798 0.030 . 1 . . . . 56 PHE H . 11205 1 569 . 1 1 56 56 PHE HA H 1 4.854 0.030 . 1 . . . . 56 PHE HA . 11205 1 570 . 1 1 56 56 PHE HB2 H 1 3.508 0.030 . 2 . . . . 56 PHE HB2 . 11205 1 571 . 1 1 56 56 PHE HB3 H 1 2.655 0.030 . 2 . . . . 56 PHE HB3 . 11205 1 572 . 1 1 56 56 PHE HD1 H 1 7.282 0.030 . 1 . . . . 56 PHE HD1 . 11205 1 573 . 1 1 56 56 PHE HD2 H 1 7.282 0.030 . 1 . . . . 56 PHE HD2 . 11205 1 574 . 1 1 56 56 PHE HE1 H 1 6.854 0.030 . 1 . . . . 56 PHE HE1 . 11205 1 575 . 1 1 56 56 PHE HE2 H 1 6.854 0.030 . 1 . . . . 56 PHE HE2 . 11205 1 576 . 1 1 56 56 PHE HZ H 1 6.250 0.030 . 1 . . . . 56 PHE HZ . 11205 1 577 . 1 1 56 56 PHE C C 13 175.330 0.300 . 1 . . . . 56 PHE C . 11205 1 578 . 1 1 56 56 PHE CA C 13 57.240 0.300 . 1 . . . . 56 PHE CA . 11205 1 579 . 1 1 56 56 PHE CB C 13 44.060 0.300 . 1 . . . . 56 PHE CB . 11205 1 580 . 1 1 56 56 PHE CD1 C 13 132.464 0.300 . 1 . . . . 56 PHE CD1 . 11205 1 581 . 1 1 56 56 PHE CD2 C 13 132.464 0.300 . 1 . . . . 56 PHE CD2 . 11205 1 582 . 1 1 56 56 PHE CE1 C 13 130.643 0.300 . 1 . . . . 56 PHE CE1 . 11205 1 583 . 1 1 56 56 PHE CE2 C 13 130.643 0.300 . 1 . . . . 56 PHE CE2 . 11205 1 584 . 1 1 56 56 PHE CZ C 13 128.592 0.300 . 1 . . . . 56 PHE CZ . 11205 1 585 . 1 1 56 56 PHE N N 15 116.956 0.300 . 1 . . . . 56 PHE N . 11205 1 586 . 1 1 57 57 ILE H H 1 9.229 0.030 . 1 . . . . 57 ILE H . 11205 1 587 . 1 1 57 57 ILE HA H 1 4.326 0.030 . 1 . . . . 57 ILE HA . 11205 1 588 . 1 1 57 57 ILE HB H 1 2.027 0.030 . 1 . . . . 57 ILE HB . 11205 1 589 . 1 1 57 57 ILE HD11 H 1 0.979 0.030 . 1 . . . . 57 ILE HD1 . 11205 1 590 . 1 1 57 57 ILE HD12 H 1 0.979 0.030 . 1 . . . . 57 ILE HD1 . 11205 1 591 . 1 1 57 57 ILE HD13 H 1 0.979 0.030 . 1 . . . . 57 ILE HD1 . 11205 1 592 . 1 1 57 57 ILE HG12 H 1 1.658 0.030 . 2 . . . . 57 ILE HG12 . 11205 1 593 . 1 1 57 57 ILE HG13 H 1 1.407 0.030 . 2 . . . . 57 ILE HG13 . 11205 1 594 . 1 1 57 57 ILE HG21 H 1 1.091 0.030 . 1 . . . . 57 ILE HG2 . 11205 1 595 . 1 1 57 57 ILE HG22 H 1 1.091 0.030 . 1 . . . . 57 ILE HG2 . 11205 1 596 . 1 1 57 57 ILE HG23 H 1 1.091 0.030 . 1 . . . . 57 ILE HG2 . 11205 1 597 . 1 1 57 57 ILE C C 13 175.714 0.300 . 1 . . . . 57 ILE C . 11205 1 598 . 1 1 57 57 ILE CA C 13 63.192 0.300 . 1 . . . . 57 ILE CA . 11205 1 599 . 1 1 57 57 ILE CB C 13 39.354 0.300 . 1 . . . . 57 ILE CB . 11205 1 600 . 1 1 57 57 ILE CD1 C 13 13.604 0.300 . 1 . . . . 57 ILE CD1 . 11205 1 601 . 1 1 57 57 ILE CG1 C 13 28.502 0.300 . 1 . . . . 57 ILE CG1 . 11205 1 602 . 1 1 57 57 ILE CG2 C 13 18.060 0.300 . 1 . . . . 57 ILE CG2 . 11205 1 603 . 1 1 57 57 ILE N N 15 119.226 0.300 . 1 . . . . 57 ILE N . 11205 1 604 . 1 1 58 58 GLN H H 1 7.369 0.030 . 1 . . . . 58 GLN H . 11205 1 605 . 1 1 58 58 GLN HA H 1 4.694 0.030 . 1 . . . . 58 GLN HA . 11205 1 606 . 1 1 58 58 GLN HB2 H 1 1.866 0.030 . 2 . . . . 58 GLN HB2 . 11205 1 607 . 1 1 58 58 GLN HB3 H 1 1.040 0.030 . 2 . . . . 58 GLN HB3 . 11205 1 608 . 1 1 58 58 GLN HE21 H 1 7.310 0.030 . 2 . . . . 58 GLN HE21 . 11205 1 609 . 1 1 58 58 GLN HE22 H 1 6.862 0.030 . 2 . . . . 58 GLN HE22 . 11205 1 610 . 1 1 58 58 GLN HG2 H 1 2.098 0.030 . 1 . . . . 58 GLN HG2 . 11205 1 611 . 1 1 58 58 GLN HG3 H 1 2.098 0.030 . 1 . . . . 58 GLN HG3 . 11205 1 612 . 1 1 58 58 GLN C C 13 176.133 0.300 . 1 . . . . 58 GLN C . 11205 1 613 . 1 1 58 58 GLN CA C 13 53.808 0.300 . 1 . . . . 58 GLN CA . 11205 1 614 . 1 1 58 58 GLN CB C 13 30.853 0.300 . 1 . . . . 58 GLN CB . 11205 1 615 . 1 1 58 58 GLN CG C 13 33.577 0.300 . 1 . . . . 58 GLN CG . 11205 1 616 . 1 1 58 58 GLN N N 15 114.713 0.300 . 1 . . . . 58 GLN N . 11205 1 617 . 1 1 58 58 GLN NE2 N 15 111.722 0.300 . 1 . . . . 58 GLN NE2 . 11205 1 618 . 1 1 59 59 ARG H H 1 8.574 0.030 . 1 . . . . 59 ARG H . 11205 1 619 . 1 1 59 59 ARG HA H 1 2.916 0.030 . 1 . . . . 59 ARG HA . 11205 1 620 . 1 1 59 59 ARG HB2 H 1 1.456 0.030 . 2 . . . . 59 ARG HB2 . 11205 1 621 . 1 1 59 59 ARG HB3 H 1 1.040 0.030 . 2 . . . . 59 ARG HB3 . 11205 1 622 . 1 1 59 59 ARG HD2 H 1 3.057 0.030 . 1 . . . . 59 ARG HD2 . 11205 1 623 . 1 1 59 59 ARG HD3 H 1 3.057 0.030 . 1 . . . . 59 ARG HD3 . 11205 1 624 . 1 1 59 59 ARG HG2 H 1 1.316 0.030 . 2 . . . . 59 ARG HG2 . 11205 1 625 . 1 1 59 59 ARG HG3 H 1 1.169 0.030 . 2 . . . . 59 ARG HG3 . 11205 1 626 . 1 1 59 59 ARG C C 13 178.504 0.300 . 1 . . . . 59 ARG C . 11205 1 627 . 1 1 59 59 ARG CA C 13 59.665 0.300 . 1 . . . . 59 ARG CA . 11205 1 628 . 1 1 59 59 ARG CB C 13 29.354 0.300 . 1 . . . . 59 ARG CB . 11205 1 629 . 1 1 59 59 ARG CD C 13 43.197 0.300 . 1 . . . . 59 ARG CD . 11205 1 630 . 1 1 59 59 ARG CG C 13 27.643 0.300 . 1 . . . . 59 ARG CG . 11205 1 631 . 1 1 59 59 ARG N N 15 127.045 0.300 . 1 . . . . 59 ARG N . 11205 1 632 . 1 1 60 60 SER HA H 1 3.908 0.030 . 1 . . . . 60 SER HA . 11205 1 633 . 1 1 60 60 SER HB2 H 1 3.833 0.030 . 1 . . . . 60 SER HB2 . 11205 1 634 . 1 1 60 60 SER HB3 H 1 3.833 0.030 . 1 . . . . 60 SER HB3 . 11205 1 635 . 1 1 60 60 SER C C 13 177.452 0.300 . 1 . . . . 60 SER C . 11205 1 636 . 1 1 60 60 SER CA C 13 61.229 0.300 . 1 . . . . 60 SER CA . 11205 1 637 . 1 1 60 60 SER CB C 13 61.652 0.300 . 1 . . . . 60 SER CB . 11205 1 638 . 1 1 61 61 HIS H H 1 6.952 0.030 . 1 . . . . 61 HIS H . 11205 1 639 . 1 1 61 61 HIS HA H 1 4.446 0.030 . 1 . . . . 61 HIS HA . 11205 1 640 . 1 1 61 61 HIS HB2 H 1 3.345 0.030 . 2 . . . . 61 HIS HB2 . 11205 1 641 . 1 1 61 61 HIS HB3 H 1 3.140 0.030 . 2 . . . . 61 HIS HB3 . 11205 1 642 . 1 1 61 61 HIS HD2 H 1 6.921 0.030 . 1 . . . . 61 HIS HD2 . 11205 1 643 . 1 1 61 61 HIS HE1 H 1 7.777 0.030 . 1 . . . . 61 HIS HE1 . 11205 1 644 . 1 1 61 61 HIS C C 13 177.885 0.300 . 1 . . . . 61 HIS C . 11205 1 645 . 1 1 61 61 HIS CA C 13 56.714 0.300 . 1 . . . . 61 HIS CA . 11205 1 646 . 1 1 61 61 HIS CB C 13 31.647 0.300 . 1 . . . . 61 HIS CB . 11205 1 647 . 1 1 61 61 HIS CD2 C 13 116.700 0.300 . 1 . . . . 61 HIS CD2 . 11205 1 648 . 1 1 61 61 HIS CE1 C 13 138.860 0.300 . 1 . . . . 61 HIS CE1 . 11205 1 649 . 1 1 61 61 HIS N N 15 122.067 0.300 . 1 . . . . 61 HIS N . 11205 1 650 . 1 1 62 62 LEU H H 1 6.900 0.030 . 1 . . . . 62 LEU H . 11205 1 651 . 1 1 62 62 LEU HA H 1 3.204 0.030 . 1 . . . . 62 LEU HA . 11205 1 652 . 1 1 62 62 LEU HB2 H 1 1.205 0.030 . 2 . . . . 62 LEU HB2 . 11205 1 653 . 1 1 62 62 LEU HB3 H 1 1.976 0.030 . 2 . . . . 62 LEU HB3 . 11205 1 654 . 1 1 62 62 LEU HD11 H 1 1.018 0.030 . 1 . . . . 62 LEU HD1 . 11205 1 655 . 1 1 62 62 LEU HD12 H 1 1.018 0.030 . 1 . . . . 62 LEU HD1 . 11205 1 656 . 1 1 62 62 LEU HD13 H 1 1.018 0.030 . 1 . . . . 62 LEU HD1 . 11205 1 657 . 1 1 62 62 LEU HD21 H 1 0.971 0.030 . 1 . . . . 62 LEU HD2 . 11205 1 658 . 1 1 62 62 LEU HD22 H 1 0.971 0.030 . 1 . . . . 62 LEU HD2 . 11205 1 659 . 1 1 62 62 LEU HD23 H 1 0.971 0.030 . 1 . . . . 62 LEU HD2 . 11205 1 660 . 1 1 62 62 LEU HG H 1 1.368 0.030 . 1 . . . . 62 LEU HG . 11205 1 661 . 1 1 62 62 LEU C C 13 177.259 0.300 . 1 . . . . 62 LEU C . 11205 1 662 . 1 1 62 62 LEU CA C 13 57.711 0.300 . 1 . . . . 62 LEU CA . 11205 1 663 . 1 1 62 62 LEU CB C 13 40.497 0.300 . 1 . . . . 62 LEU CB . 11205 1 664 . 1 1 62 62 LEU CD1 C 13 26.396 0.300 . 2 . . . . 62 LEU CD1 . 11205 1 665 . 1 1 62 62 LEU CD2 C 13 22.701 0.300 . 2 . . . . 62 LEU CD2 . 11205 1 666 . 1 1 62 62 LEU CG C 13 27.420 0.300 . 1 . . . . 62 LEU CG . 11205 1 667 . 1 1 62 62 LEU N N 15 122.152 0.300 . 1 . . . . 62 LEU N . 11205 1 668 . 1 1 63 63 ILE H H 1 7.939 0.030 . 1 . . . . 63 ILE H . 11205 1 669 . 1 1 63 63 ILE HA H 1 3.602 0.030 . 1 . . . . 63 ILE HA . 11205 1 670 . 1 1 63 63 ILE HB H 1 1.759 0.030 . 1 . . . . 63 ILE HB . 11205 1 671 . 1 1 63 63 ILE HD11 H 1 0.721 0.030 . 1 . . . . 63 ILE HD1 . 11205 1 672 . 1 1 63 63 ILE HD12 H 1 0.721 0.030 . 1 . . . . 63 ILE HD1 . 11205 1 673 . 1 1 63 63 ILE HD13 H 1 0.721 0.030 . 1 . . . . 63 ILE HD1 . 11205 1 674 . 1 1 63 63 ILE HG12 H 1 1.465 0.030 . 2 . . . . 63 ILE HG12 . 11205 1 675 . 1 1 63 63 ILE HG13 H 1 1.225 0.030 . 2 . . . . 63 ILE HG13 . 11205 1 676 . 1 1 63 63 ILE HG21 H 1 0.871 0.030 . 1 . . . . 63 ILE HG2 . 11205 1 677 . 1 1 63 63 ILE HG22 H 1 0.871 0.030 . 1 . . . . 63 ILE HG2 . 11205 1 678 . 1 1 63 63 ILE HG23 H 1 0.871 0.030 . 1 . . . . 63 ILE HG2 . 11205 1 679 . 1 1 63 63 ILE C C 13 179.662 0.300 . 1 . . . . 63 ILE C . 11205 1 680 . 1 1 63 63 ILE CA C 13 64.178 0.300 . 1 . . . . 63 ILE CA . 11205 1 681 . 1 1 63 63 ILE CB C 13 37.259 0.300 . 1 . . . . 63 ILE CB . 11205 1 682 . 1 1 63 63 ILE CD1 C 13 11.982 0.300 . 1 . . . . 63 ILE CD1 . 11205 1 683 . 1 1 63 63 ILE CG1 C 13 28.510 0.300 . 1 . . . . 63 ILE CG1 . 11205 1 684 . 1 1 63 63 ILE CG2 C 13 17.152 0.300 . 1 . . . . 63 ILE CG2 . 11205 1 685 . 1 1 63 63 ILE N N 15 118.600 0.300 . 1 . . . . 63 ILE N . 11205 1 686 . 1 1 64 64 GLY H H 1 7.792 0.030 . 1 . . . . 64 GLY H . 11205 1 687 . 1 1 64 64 GLY HA2 H 1 3.829 0.030 . 1 . . . . 64 GLY HA2 . 11205 1 688 . 1 1 64 64 GLY HA3 H 1 3.829 0.030 . 1 . . . . 64 GLY HA3 . 11205 1 689 . 1 1 64 64 GLY C C 13 176.068 0.300 . 1 . . . . 64 GLY C . 11205 1 690 . 1 1 64 64 GLY CA C 13 46.869 0.300 . 1 . . . . 64 GLY CA . 11205 1 691 . 1 1 64 64 GLY N N 15 125.815 0.300 . 1 . . . . 64 GLY N . 11205 1 692 . 1 1 65 65 HIS H H 1 7.625 0.030 . 1 . . . . 65 HIS H . 11205 1 693 . 1 1 65 65 HIS HA H 1 4.281 0.030 . 1 . . . . 65 HIS HA . 11205 1 694 . 1 1 65 65 HIS HB2 H 1 2.888 0.030 . 2 . . . . 65 HIS HB2 . 11205 1 695 . 1 1 65 65 HIS HB3 H 1 3.221 0.030 . 2 . . . . 65 HIS HB3 . 11205 1 696 . 1 1 65 65 HIS HD2 H 1 7.034 0.030 . 1 . . . . 65 HIS HD2 . 11205 1 697 . 1 1 65 65 HIS HE1 H 1 8.013 0.030 . 1 . . . . 65 HIS HE1 . 11205 1 698 . 1 1 65 65 HIS C C 13 175.894 0.300 . 1 . . . . 65 HIS C . 11205 1 699 . 1 1 65 65 HIS CA C 13 58.611 0.300 . 1 . . . . 65 HIS CA . 11205 1 700 . 1 1 65 65 HIS CB C 13 28.692 0.300 . 1 . . . . 65 HIS CB . 11205 1 701 . 1 1 65 65 HIS CD2 C 13 127.231 0.300 . 1 . . . . 65 HIS CD2 . 11205 1 702 . 1 1 65 65 HIS CE1 C 13 139.613 0.300 . 1 . . . . 65 HIS CE1 . 11205 1 703 . 1 1 65 65 HIS N N 15 121.239 0.300 . 1 . . . . 65 HIS N . 11205 1 704 . 1 1 66 66 HIS H H 1 8.193 0.030 . 1 . . . . 66 HIS H . 11205 1 705 . 1 1 66 66 HIS HA H 1 4.099 0.030 . 1 . . . . 66 HIS HA . 11205 1 706 . 1 1 66 66 HIS HB2 H 1 3.388 0.030 . 2 . . . . 66 HIS HB2 . 11205 1 707 . 1 1 66 66 HIS HB3 H 1 3.206 0.030 . 2 . . . . 66 HIS HB3 . 11205 1 708 . 1 1 66 66 HIS HD2 H 1 7.416 0.030 . 1 . . . . 66 HIS HD2 . 11205 1 709 . 1 1 66 66 HIS HE1 H 1 7.966 0.030 . 1 . . . . 66 HIS HE1 . 11205 1 710 . 1 1 66 66 HIS C C 13 176.922 0.300 . 1 . . . . 66 HIS C . 11205 1 711 . 1 1 66 66 HIS CA C 13 59.575 0.300 . 1 . . . . 66 HIS CA . 11205 1 712 . 1 1 66 66 HIS CB C 13 30.501 0.300 . 1 . . . . 66 HIS CB . 11205 1 713 . 1 1 66 66 HIS CD2 C 13 119.362 0.300 . 1 . . . . 66 HIS CD2 . 11205 1 714 . 1 1 66 66 HIS CE1 C 13 138.129 0.300 . 1 . . . . 66 HIS CE1 . 11205 1 715 . 1 1 66 66 HIS N N 15 117.118 0.300 . 1 . . . . 66 HIS N . 11205 1 716 . 1 1 67 67 ARG H H 1 7.192 0.030 . 1 . . . . 67 ARG H . 11205 1 717 . 1 1 67 67 ARG HA H 1 4.151 0.030 . 1 . . . . 67 ARG HA . 11205 1 718 . 1 1 67 67 ARG HB2 H 1 1.843 0.030 . 1 . . . . 67 ARG HB2 . 11205 1 719 . 1 1 67 67 ARG HB3 H 1 1.843 0.030 . 1 . . . . 67 ARG HB3 . 11205 1 720 . 1 1 67 67 ARG HD2 H 1 3.214 0.030 . 1 . . . . 67 ARG HD2 . 11205 1 721 . 1 1 67 67 ARG HD3 H 1 3.214 0.030 . 1 . . . . 67 ARG HD3 . 11205 1 722 . 1 1 67 67 ARG HG2 H 1 1.742 0.030 . 1 . . . . 67 ARG HG2 . 11205 1 723 . 1 1 67 67 ARG HG3 H 1 1.742 0.030 . 1 . . . . 67 ARG HG3 . 11205 1 724 . 1 1 67 67 ARG C C 13 178.370 0.300 . 1 . . . . 67 ARG C . 11205 1 725 . 1 1 67 67 ARG CA C 13 58.245 0.300 . 1 . . . . 67 ARG CA . 11205 1 726 . 1 1 67 67 ARG CB C 13 30.034 0.300 . 1 . . . . 67 ARG CB . 11205 1 727 . 1 1 67 67 ARG CD C 13 43.378 0.300 . 1 . . . . 67 ARG CD . 11205 1 728 . 1 1 67 67 ARG CG C 13 27.340 0.300 . 1 . . . . 67 ARG CG . 11205 1 729 . 1 1 67 67 ARG N N 15 115.624 0.300 . 1 . . . . 67 ARG N . 11205 1 730 . 1 1 68 68 VAL H H 1 7.946 0.030 . 1 . . . . 68 VAL H . 11205 1 731 . 1 1 68 68 VAL HA H 1 3.874 0.030 . 1 . . . . 68 VAL HA . 11205 1 732 . 1 1 68 68 VAL HB H 1 1.848 0.030 . 1 . . . . 68 VAL HB . 11205 1 733 . 1 1 68 68 VAL HG11 H 1 0.631 0.030 . 1 . . . . 68 VAL HG1 . 11205 1 734 . 1 1 68 68 VAL HG12 H 1 0.631 0.030 . 1 . . . . 68 VAL HG1 . 11205 1 735 . 1 1 68 68 VAL HG13 H 1 0.631 0.030 . 1 . . . . 68 VAL HG1 . 11205 1 736 . 1 1 68 68 VAL HG21 H 1 0.465 0.030 . 1 . . . . 68 VAL HG2 . 11205 1 737 . 1 1 68 68 VAL HG22 H 1 0.465 0.030 . 1 . . . . 68 VAL HG2 . 11205 1 738 . 1 1 68 68 VAL HG23 H 1 0.465 0.030 . 1 . . . . 68 VAL HG2 . 11205 1 739 . 1 1 68 68 VAL C C 13 177.189 0.300 . 1 . . . . 68 VAL C . 11205 1 740 . 1 1 68 68 VAL CA C 13 64.054 0.300 . 1 . . . . 68 VAL CA . 11205 1 741 . 1 1 68 68 VAL CB C 13 31.089 0.300 . 1 . . . . 68 VAL CB . 11205 1 742 . 1 1 68 68 VAL CG1 C 13 19.965 0.300 . 2 . . . . 68 VAL CG1 . 11205 1 743 . 1 1 68 68 VAL CG2 C 13 19.740 0.300 . 2 . . . . 68 VAL CG2 . 11205 1 744 . 1 1 68 68 VAL N N 15 116.626 0.300 . 1 . . . . 68 VAL N . 11205 1 745 . 1 1 69 69 HIS H H 1 7.344 0.030 . 1 . . . . 69 HIS H . 11205 1 746 . 1 1 69 69 HIS HA H 1 4.826 0.030 . 1 . . . . 69 HIS HA . 11205 1 747 . 1 1 69 69 HIS HB2 H 1 2.999 0.030 . 2 . . . . 69 HIS HB2 . 11205 1 748 . 1 1 69 69 HIS HB3 H 1 3.312 0.030 . 2 . . . . 69 HIS HB3 . 11205 1 749 . 1 1 69 69 HIS HD2 H 1 6.673 0.030 . 1 . . . . 69 HIS HD2 . 11205 1 750 . 1 1 69 69 HIS HE1 H 1 8.018 0.030 . 1 . . . . 69 HIS HE1 . 11205 1 751 . 1 1 69 69 HIS C C 13 175.545 0.300 . 1 . . . . 69 HIS C . 11205 1 752 . 1 1 69 69 HIS CA C 13 55.136 0.300 . 1 . . . . 69 HIS CA . 11205 1 753 . 1 1 69 69 HIS CB C 13 28.728 0.300 . 1 . . . . 69 HIS CB . 11205 1 754 . 1 1 69 69 HIS CD2 C 13 127.552 0.300 . 1 . . . . 69 HIS CD2 . 11205 1 755 . 1 1 69 69 HIS CE1 C 13 139.586 0.300 . 1 . . . . 69 HIS CE1 . 11205 1 756 . 1 1 69 69 HIS N N 15 117.300 0.300 . 1 . . . . 69 HIS N . 11205 1 757 . 1 1 70 70 THR H H 1 7.720 0.030 . 1 . . . . 70 THR H . 11205 1 758 . 1 1 70 70 THR HA H 1 4.375 0.030 . 1 . . . . 70 THR HA . 11205 1 759 . 1 1 70 70 THR HB H 1 4.311 0.030 . 1 . . . . 70 THR HB . 11205 1 760 . 1 1 70 70 THR HG21 H 1 1.189 0.030 . 1 . . . . 70 THR HG2 . 11205 1 761 . 1 1 70 70 THR HG22 H 1 1.189 0.030 . 1 . . . . 70 THR HG2 . 11205 1 762 . 1 1 70 70 THR HG23 H 1 1.189 0.030 . 1 . . . . 70 THR HG2 . 11205 1 763 . 1 1 70 70 THR C C 13 175.382 0.300 . 1 . . . . 70 THR C . 11205 1 764 . 1 1 70 70 THR CA C 13 62.230 0.300 . 1 . . . . 70 THR CA . 11205 1 765 . 1 1 70 70 THR CB C 13 69.995 0.300 . 1 . . . . 70 THR CB . 11205 1 766 . 1 1 70 70 THR CG2 C 13 21.547 0.300 . 1 . . . . 70 THR CG2 . 11205 1 767 . 1 1 70 70 THR N N 15 111.571 0.300 . 1 . . . . 70 THR N . 11205 1 768 . 1 1 71 71 GLY H H 1 8.316 0.030 . 1 . . . . 71 GLY H . 11205 1 769 . 1 1 71 71 GLY HA2 H 1 4.051 0.030 . 1 . . . . 71 GLY HA2 . 11205 1 770 . 1 1 71 71 GLY HA3 H 1 4.051 0.030 . 1 . . . . 71 GLY HA3 . 11205 1 771 . 1 1 71 71 GLY C C 13 174.292 0.300 . 1 . . . . 71 GLY C . 11205 1 772 . 1 1 71 71 GLY CA C 13 45.571 0.300 . 1 . . . . 71 GLY CA . 11205 1 773 . 1 1 71 71 GLY N N 15 111.071 0.300 . 1 . . . . 71 GLY N . 11205 1 774 . 1 1 72 72 SER H H 1 8.236 0.030 . 1 . . . . 72 SER H . 11205 1 775 . 1 1 72 72 SER HA H 1 4.515 0.030 . 1 . . . . 72 SER HA . 11205 1 776 . 1 1 72 72 SER HB2 H 1 3.878 0.030 . 1 . . . . 72 SER HB2 . 11205 1 777 . 1 1 72 72 SER HB3 H 1 3.878 0.030 . 1 . . . . 72 SER HB3 . 11205 1 778 . 1 1 72 72 SER C C 13 174.635 0.300 . 1 . . . . 72 SER C . 11205 1 779 . 1 1 72 72 SER CA C 13 58.258 0.300 . 1 . . . . 72 SER CA . 11205 1 780 . 1 1 72 72 SER CB C 13 64.076 0.300 . 1 . . . . 72 SER CB . 11205 1 781 . 1 1 72 72 SER N N 15 115.495 0.300 . 1 . . . . 72 SER N . 11205 1 782 . 1 1 73 73 GLY H H 1 8.310 0.030 . 1 . . . . 73 GLY H . 11205 1 783 . 1 1 73 73 GLY HA2 H 1 4.129 0.030 . 2 . . . . 73 GLY HA2 . 11205 1 784 . 1 1 73 73 GLY HA3 H 1 4.089 0.030 . 2 . . . . 73 GLY HA3 . 11205 1 785 . 1 1 73 73 GLY C C 13 171.822 0.300 . 1 . . . . 73 GLY C . 11205 1 786 . 1 1 73 73 GLY CA C 13 44.676 0.300 . 1 . . . . 73 GLY CA . 11205 1 787 . 1 1 73 73 GLY N N 15 110.677 0.300 . 1 . . . . 73 GLY N . 11205 1 788 . 1 1 74 74 PRO HA H 1 4.461 0.030 . 1 . . . . 74 PRO HA . 11205 1 789 . 1 1 74 74 PRO HB2 H 1 2.278 0.030 . 2 . . . . 74 PRO HB2 . 11205 1 790 . 1 1 74 74 PRO HB3 H 1 1.966 0.030 . 2 . . . . 74 PRO HB3 . 11205 1 791 . 1 1 74 74 PRO HD2 H 1 3.614 0.030 . 1 . . . . 74 PRO HD2 . 11205 1 792 . 1 1 74 74 PRO HD3 H 1 3.614 0.030 . 1 . . . . 74 PRO HD3 . 11205 1 793 . 1 1 74 74 PRO HG2 H 1 2.006 0.030 . 1 . . . . 74 PRO HG2 . 11205 1 794 . 1 1 74 74 PRO HG3 H 1 2.006 0.030 . 1 . . . . 74 PRO HG3 . 11205 1 795 . 1 1 74 74 PRO C C 13 177.374 0.300 . 1 . . . . 74 PRO C . 11205 1 796 . 1 1 74 74 PRO CA C 13 63.274 0.300 . 1 . . . . 74 PRO CA . 11205 1 797 . 1 1 74 74 PRO CB C 13 32.246 0.300 . 1 . . . . 74 PRO CB . 11205 1 798 . 1 1 74 74 PRO CD C 13 49.795 0.300 . 1 . . . . 74 PRO CD . 11205 1 799 . 1 1 74 74 PRO CG C 13 27.163 0.300 . 1 . . . . 74 PRO CG . 11205 1 800 . 1 1 75 75 SER H H 1 8.511 0.030 . 1 . . . . 75 SER H . 11205 1 801 . 1 1 75 75 SER HA H 1 4.503 0.030 . 1 . . . . 75 SER HA . 11205 1 802 . 1 1 75 75 SER HB2 H 1 3.903 0.030 . 1 . . . . 75 SER HB2 . 11205 1 803 . 1 1 75 75 SER HB3 H 1 3.903 0.030 . 1 . . . . 75 SER HB3 . 11205 1 804 . 1 1 75 75 SER C C 13 174.651 0.300 . 1 . . . . 75 SER C . 11205 1 805 . 1 1 75 75 SER CA C 13 58.363 0.300 . 1 . . . . 75 SER CA . 11205 1 806 . 1 1 75 75 SER CB C 13 64.127 0.300 . 1 . . . . 75 SER CB . 11205 1 807 . 1 1 75 75 SER N N 15 116.342 0.300 . 1 . . . . 75 SER N . 11205 1 808 . 1 1 76 76 SER HA H 1 4.494 0.030 . 1 . . . . 76 SER HA . 11205 1 809 . 1 1 76 76 SER HB2 H 1 3.901 0.030 . 1 . . . . 76 SER HB2 . 11205 1 810 . 1 1 76 76 SER HB3 H 1 3.901 0.030 . 1 . . . . 76 SER HB3 . 11205 1 811 . 1 1 76 76 SER C C 13 174.289 0.300 . 1 . . . . 76 SER C . 11205 1 812 . 1 1 76 76 SER CA C 13 58.370 0.300 . 1 . . . . 76 SER CA . 11205 1 813 . 1 1 76 76 SER CB C 13 64.127 0.300 . 1 . . . . 76 SER CB . 11205 1 814 . 1 1 77 77 GLY H H 1 8.042 0.030 . 1 . . . . 77 GLY H . 11205 1 815 . 1 1 77 77 GLY HA2 H 1 3.815 0.030 . 1 . . . . 77 GLY HA2 . 11205 1 816 . 1 1 77 77 GLY HA3 H 1 3.815 0.030 . 1 . . . . 77 GLY HA3 . 11205 1 817 . 1 1 77 77 GLY C C 13 178.986 0.300 . 1 . . . . 77 GLY C . 11205 1 818 . 1 1 77 77 GLY CA C 13 46.204 0.300 . 1 . . . . 77 GLY CA . 11205 1 819 . 1 1 77 77 GLY N N 15 116.829 0.300 . 1 . . . . 77 GLY N . 11205 1 stop_ save_