################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 17244 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 17244 1 2 '3D CBCA(CO)NH' . . . 17244 1 3 '3D HNCACB' . . . 17244 1 4 '3D C(CO)NH' . . . 17244 1 5 '3D HBHA(CO)NH' . . . 17244 1 6 '3D H(CCO)NH' . . . 17244 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 1 1 ALA HA H 1 4.208 0.003 . 1 . . . . 1 A HA . 17244 1 2 . 1 1 1 1 ALA HB1 H 1 1.474 0.015 . 9 . . . . 1 A QB . 17244 1 3 . 1 1 1 1 ALA HB2 H 1 1.474 0.015 . 9 . . . . 1 A QB . 17244 1 4 . 1 1 1 1 ALA HB3 H 1 1.474 0.015 . 9 . . . . 1 A QB . 17244 1 5 . 1 1 1 1 ALA CA C 13 51.921 0.055 . 1 . . . . 1 A CA . 17244 1 6 . 1 1 1 1 ALA CB C 13 20.775 0.206 . 1 . . . . 1 A CB . 17244 1 7 . 1 1 2 2 ARG H H 1 10.466 0.004 . 1 . . . . 2 R HN . 17244 1 8 . 1 1 2 2 ARG HA H 1 4.558 0.003 . 1 . . . . 2 R HA . 17244 1 9 . 1 1 2 2 ARG HB2 H 1 1.925 0.017 . 2 . . . . 2 R QB . 17244 1 10 . 1 1 2 2 ARG HB3 H 1 1.925 0.017 . 2 . . . . 2 R QB . 17244 1 11 . 1 1 2 2 ARG HD2 H 1 3.119 0.005 . 2 . . . . 2 R QD . 17244 1 12 . 1 1 2 2 ARG HD3 H 1 3.119 0.005 . 2 . . . . 2 R QD . 17244 1 13 . 1 1 2 2 ARG HG2 H 1 1.768 0.016 . 2 . . . . 2 R QG . 17244 1 14 . 1 1 2 2 ARG HG3 H 1 1.768 0.016 . 2 . . . . 2 R QG . 17244 1 15 . 1 1 2 2 ARG CA C 13 56.301 0.119 . 1 . . . . 2 R CA . 17244 1 16 . 1 1 2 2 ARG CB C 13 31.439 0.058 . 1 . . . . 2 R CB . 17244 1 17 . 1 1 2 2 ARG CD C 13 43.532 0.01 . 1 . . . . 2 R CD . 17244 1 18 . 1 1 2 2 ARG CG C 13 28.154 0.047 . 1 . . . . 2 R CG . 17244 1 19 . 1 1 2 2 ARG N N 15 125.062 0.222 . 1 . . . . 2 R N . 17244 1 20 . 1 1 3 3 THR H H 1 8.048 0.005 . 1 . . . . 3 T HN . 17244 1 21 . 1 1 3 3 THR HA H 1 4.403 0.002 . 1 . . . . 3 T HA . 17244 1 22 . 1 1 3 3 THR HB H 1 4.227 0.007 . 1 . . . . 3 T HB . 17244 1 23 . 1 1 3 3 THR HG21 H 1 1.173 0.012 . 9 . . . . 3 T QG2 . 17244 1 24 . 1 1 3 3 THR HG22 H 1 1.173 0.012 . 9 . . . . 3 T QG2 . 17244 1 25 . 1 1 3 3 THR HG23 H 1 1.173 0.012 . 9 . . . . 3 T QG2 . 17244 1 26 . 1 1 3 3 THR CA C 13 58.514 0.179 . 1 . . . . 3 T CA . 17244 1 27 . 1 1 3 3 THR CB C 13 72.473 0.089 . 1 . . . . 3 T CB . 17244 1 28 . 1 1 3 3 THR CG2 C 13 22.374 0.068 . 1 . . . . 3 T CG2 . 17244 1 29 . 1 1 3 3 THR N N 15 112.716 0.167 . 1 . . . . 3 T N . 17244 1 30 . 1 1 4 4 LYS H H 1 8.569 0.01 . 1 . . . . 4 K HN . 17244 1 31 . 1 1 4 4 LYS HA H 1 4.407 0.002 . 1 . . . . 4 K HA . 17244 1 32 . 1 1 4 4 LYS HB2 H 1 1.849 0.013 . 2 . . . . 4 K HB2 . 17244 1 33 . 1 1 4 4 LYS HB3 H 1 1.513 0.014 . 2 . . . . 4 K HB3 . 17244 1 34 . 1 1 4 4 LYS CA C 13 56.968 0.091 . 1 . . . . 4 K CA . 17244 1 35 . 1 1 4 4 LYS CB C 13 33.665 0.216 . 1 . . . . 4 K CB . 17244 1 36 . 1 1 4 4 LYS CD C 13 30.621 0.144 . 1 . . . . 4 K CD . 17244 1 37 . 1 1 4 4 LYS CG C 13 26.172 0.053 . 1 . . . . 4 K CG . 17244 1 38 . 1 1 4 4 LYS N N 15 122.277 0.047 . 1 . . . . 4 K N . 17244 1 39 . 1 1 5 5 GLN H H 1 9.089 0.006 . 1 . . . . 5 Q HN . 17244 1 40 . 1 1 5 5 GLN HA H 1 4.434 0.005 . 1 . . . . 5 Q HA . 17244 1 41 . 1 1 5 5 GLN HB2 H 1 2.093 0.014 . 2 . . . . 5 Q QB . 17244 1 42 . 1 1 5 5 GLN HB3 H 1 2.093 0.014 . 2 . . . . 5 Q QB . 17244 1 43 . 1 1 5 5 GLN HE21 H 1 6.817 0.015 . 2 . . . . 5 Q HE21 . 17244 1 44 . 1 1 5 5 GLN HE22 H 1 7.409 0.015 . 2 . . . . 5 Q HE22 . 17244 1 45 . 1 1 5 5 GLN HG2 H 1 2.37 0.002 . 2 . . . . 5 Q QG . 17244 1 46 . 1 1 5 5 GLN HG3 H 1 2.37 0.002 . 2 . . . . 5 Q QG . 17244 1 47 . 1 1 5 5 GLN CA C 13 55.931 0.134 . 1 . . . . 5 Q CA . 17244 1 48 . 1 1 5 5 GLN CB C 13 29.823 0.012 . 1 . . . . 5 Q CB . 17244 1 49 . 1 1 5 5 GLN CG C 13 34.079 0.036 . 1 . . . . 5 Q CG . 17244 1 50 . 1 1 5 5 GLN N N 15 127.372 0.228 . 1 . . . . 5 Q N . 17244 1 51 . 1 1 5 5 GLN NE2 N 15 111.945 0.134 . 1 . . . . 5 Q NE2 . 17244 1 52 . 1 1 6 6 THR H H 1 8.328 0.003 . 1 . . . . 6 T HN . 17244 1 53 . 1 1 6 6 THR HA H 1 4.321 0.002 . 1 . . . . 6 T HA . 17244 1 54 . 1 1 6 6 THR HB H 1 4.165 0.004 . 1 . . . . 6 T HB . 17244 1 55 . 1 1 6 6 THR HG21 H 1 1.191 0.012 . 9 . . . . 6 T QG2 . 17244 1 56 . 1 1 6 6 THR HG22 H 1 1.191 0.012 . 9 . . . . 6 T QG2 . 17244 1 57 . 1 1 6 6 THR HG23 H 1 1.191 0.012 . 9 . . . . 6 T QG2 . 17244 1 58 . 1 1 6 6 THR CA C 13 62.236 0.074 . 1 . . . . 6 T CA . 17244 1 59 . 1 1 6 6 THR CB C 13 69.632 0.12 . 1 . . . . 6 T CB . 17244 1 60 . 1 1 6 6 THR CG2 C 13 21.949 0.069 . 1 . . . . 6 T CG2 . 17244 1 61 . 1 1 6 6 THR N N 15 115.874 0.112 . 1 . . . . 6 T N . 17244 1 62 . 1 1 7 7 ALA H H 1 8.342 0.008 . 1 . . . . 7 A HN . 17244 1 63 . 1 1 7 7 ALA HA H 1 4.261 0.003 . 1 . . . . 7 A HA . 17244 1 64 . 1 1 7 7 ALA HB1 H 1 1.329 0.017 . 9 . . . . 7 A QB . 17244 1 65 . 1 1 7 7 ALA HB2 H 1 1.329 0.017 . 9 . . . . 7 A QB . 17244 1 66 . 1 1 7 7 ALA HB3 H 1 1.329 0.017 . 9 . . . . 7 A QB . 17244 1 67 . 1 1 7 7 ALA CA C 13 52.403 0.179 . 1 . . . . 7 A CA . 17244 1 68 . 1 1 7 7 ALA CB C 13 19.245 0.225 . 1 . . . . 7 A CB . 17244 1 69 . 1 1 7 7 ALA N N 15 126.261 0.039 . 1 . . . . 7 A N . 17244 1 70 . 1 1 8 8 ARG H H 1 8.109 0.015 . 1 . . . . 8 R HN . 17244 1 71 . 1 1 8 8 ARG HA H 1 4.29 0.003 . 1 . . . . 8 R HA . 17244 1 72 . 1 1 8 8 ARG HB2 H 1 1.755 0.014 . 2 . . . . 8 R QB . 17244 1 73 . 1 1 8 8 ARG HB3 H 1 1.755 0.014 . 2 . . . . 8 R QB . 17244 1 74 . 1 1 8 8 ARG HD2 H 1 3.156 0.005 . 2 . . . . 8 R QD . 17244 1 75 . 1 1 8 8 ARG HD3 H 1 3.156 0.005 . 2 . . . . 8 R QD . 17244 1 76 . 1 1 8 8 ARG HG2 H 1 1.603 0.011 . 2 . . . . 8 R QG . 17244 1 77 . 1 1 8 8 ARG HG3 H 1 1.603 0.011 . 2 . . . . 8 R QG . 17244 1 78 . 1 1 8 8 ARG CA C 13 55.929 0.069 . 1 . . . . 8 R CA . 17244 1 79 . 1 1 8 8 ARG CB C 13 30.805 0.085 . 1 . . . . 8 R CB . 17244 1 80 . 1 1 8 8 ARG CD C 13 43.369 0.01 . 1 . . . . 8 R CD . 17244 1 81 . 1 1 8 8 ARG CG C 13 27.218 0.049 . 1 . . . . 8 R CG . 17244 1 82 . 1 1 8 8 ARG N N 15 121.257 0.043 . 1 . . . . 8 R N . 17244 1 83 . 1 1 9 9 LYS H H 1 8.47 0.001 . 1 . . . . 9 K HN . 17244 1 84 . 1 1 9 9 LYS HA H 1 4.307 0.002 . 1 . . . . 9 K HA . 17244 1 85 . 1 1 9 9 LYS HB2 H 1 1.753 0.013 . 2 . . . . 9 K QB . 17244 1 86 . 1 1 9 9 LYS HB3 H 1 1.753 0.013 . 2 . . . . 9 K QB . 17244 1 87 . 1 1 9 9 LYS HD2 H 1 1.687 0.01 . 2 . . . . 9 K QD . 17244 1 88 . 1 1 9 9 LYS HD3 H 1 1.687 0.01 . 2 . . . . 9 K QD . 17244 1 89 . 1 1 9 9 LYS HE2 H 1 2.95 0.006 . 2 . . . . 9 K QE . 17244 1 90 . 1 1 9 9 LYS HE3 H 1 2.95 0.006 . 2 . . . . 9 K QE . 17244 1 91 . 1 1 9 9 LYS HG2 H 1 1.402 0.012 . 2 . . . . 9 K QG . 17244 1 92 . 1 1 9 9 LYS HG3 H 1 1.402 0.012 . 2 . . . . 9 K QG . 17244 1 93 . 1 1 9 9 LYS CA C 13 56.214 0.13 . 1 . . . . 9 K CA . 17244 1 94 . 1 1 9 9 LYS CB C 13 33.201 0.052 . 1 . . . . 9 K CB . 17244 1 95 . 1 1 9 9 LYS CD C 13 29.21 0.043 . 1 . . . . 9 K CD . 17244 1 96 . 1 1 9 9 LYS CE C 13 42.608 0.007 . 1 . . . . 9 K CE . 17244 1 97 . 1 1 9 9 LYS CG C 13 24.701 0.059 . 1 . . . . 9 K CG . 17244 1 98 . 1 1 9 9 LYS N N 15 122.978 0.103 . 1 . . . . 9 K N . 17244 1 99 . 1 1 10 10 SER H H 1 8.502 0.002 . 1 . . . . 10 S HN . 17244 1 100 . 1 1 10 10 SER HA H 1 4.357 0.003 . 1 . . . . 10 S HA . 17244 1 101 . 1 1 10 10 SER HB2 H 1 3.789 0.006 . 2 . . . . 10 S QB . 17244 1 102 . 1 1 10 10 SER HB3 H 1 3.789 0.006 . 2 . . . . 10 S QB . 17244 1 103 . 1 1 10 10 SER CA C 13 58.077 0.056 . 1 . . . . 10 S CA . 17244 1 104 . 1 1 10 10 SER CB C 13 63.83 0.105 . 1 . . . . 10 S CB . 17244 1 105 . 1 1 10 10 SER N N 15 117.502 0.06 . 1 . . . . 10 S N . 17244 1 106 . 1 1 11 11 THR H H 1 8.024 0.014 . 1 . . . . 11 T HN . 17244 1 107 . 1 1 11 11 THR HA H 1 4.431 0.005 . 1 . . . . 11 T HA . 17244 1 108 . 1 1 11 11 THR HB H 1 3.867 0.004 . 1 . . . . 11 T HB . 17244 1 109 . 1 1 11 11 THR HG21 H 1 1.16 0.012 . 9 . . . . 11 T QG2 . 17244 1 110 . 1 1 11 11 THR HG22 H 1 1.16 0.012 . 9 . . . . 11 T QG2 . 17244 1 111 . 1 1 11 11 THR HG23 H 1 1.16 0.012 . 9 . . . . 11 T QG2 . 17244 1 112 . 1 1 11 11 THR CA C 13 61.908 0.081 . 1 . . . . 11 T CA . 17244 1 113 . 1 1 11 11 THR CB C 13 69.769 0.154 . 1 . . . . 11 T CB . 17244 1 114 . 1 1 11 11 THR CG2 C 13 21.608 0.07 . 1 . . . . 11 T CG2 . 17244 1 115 . 1 1 11 11 THR N N 15 112.62 0.103 . 1 . . . . 11 T N . 17244 1 116 . 1 1 12 12 GLY H H 1 8.458 0.004 . 1 . . . . 12 G HN . 17244 1 117 . 1 1 12 12 GLY HA2 H 1 3.97 0.004 . 2 . . . . 12 G QA . 17244 1 118 . 1 1 12 12 GLY HA3 H 1 3.97 0.004 . 2 . . . . 12 G QA . 17244 1 119 . 1 1 12 12 GLY CA C 13 45.622 0.146 . 1 . . . . 12 G CA . 17244 1 120 . 1 1 12 12 GLY N N 15 110.858 0.017 . 1 . . . . 12 G N . 17244 1 121 . 1 1 13 13 GLY H H 1 8.339 0.009 . 1 . . . . 13 G HN . 17244 1 122 . 1 1 13 13 GLY CA C 13 45.348 0.118 . 1 . . . . 13 G CA . 17244 1 123 . 1 1 13 13 GLY N N 15 109.293 0.188 . 1 . . . . 13 G N . 17244 1 124 . 1 1 15 15 SER CA C 13 58.674 0.087 . 1 . . . . 15 S CA . 17244 1 125 . 1 1 15 15 SER CB C 13 63.931 0.184 . 1 . . . . 15 S CB . 17244 1 126 . 1 1 16 16 GLY H H 1 8.445 0.002 . 1 . . . . 16 G HN . 17244 1 127 . 1 1 16 16 GLY N N 15 110.791 0.015 . 1 . . . . 16 G N . 17244 1 128 . 1 1 18 18 SER CA C 13 58.859 0.03 . 1 . . . . 18 S CA . 17244 1 129 . 1 1 18 18 SER CB C 13 63.64 0.031 . 1 . . . . 18 S CB . 17244 1 130 . 1 1 19 19 GLN H H 1 8.425 0.001 . 1 . . . . 19 Q HN . 17244 1 131 . 1 1 19 19 GLN HA H 1 4.263 0.004 . 1 . . . . 19 Q HA . 17244 1 132 . 1 1 19 19 GLN HB2 H 1 2.006 0.012 . 2 . . . . 19 Q QB . 17244 1 133 . 1 1 19 19 GLN HB3 H 1 2.006 0.012 . 2 . . . . 19 Q QB . 17244 1 134 . 1 1 19 19 GLN HE21 H 1 7.576 0.001 . 2 . . . . 19 Q HE21 . 17244 1 135 . 1 1 19 19 GLN HE22 H 1 6.877 0.003 . 2 . . . . 19 Q HE22 . 17244 1 136 . 1 1 19 19 GLN HG2 H 1 2.3 0.008 . 2 . . . . 19 Q QG . 17244 1 137 . 1 1 19 19 GLN HG3 H 1 2.3 0.008 . 2 . . . . 19 Q QG . 17244 1 138 . 1 1 19 19 GLN CA C 13 56.123 0.073 . 1 . . . . 19 Q CA . 17244 1 139 . 1 1 19 19 GLN CB C 13 29.552 0.217 . 1 . . . . 19 Q CB . 17244 1 140 . 1 1 19 19 GLN CG C 13 33.835 0.123 . 1 . . . . 19 Q CG . 17244 1 141 . 1 1 19 19 GLN N N 15 122.101 0.02 . 1 . . . . 19 Q N . 17244 1 142 . 1 1 19 19 GLN NE2 N 15 112.481 0.12 . 1 . . . . 19 Q NE2 . 17244 1 143 . 1 1 20 20 SER H H 1 8.297 0.006 . 1 . . . . 20 S HN . 17244 1 144 . 1 1 20 20 SER HA H 1 4.345 0.002 . 1 . . . . 20 S HA . 17244 1 145 . 1 1 20 20 SER HB2 H 1 3.806 0.005 . 2 . . . . 20 S QB . 17244 1 146 . 1 1 20 20 SER HB3 H 1 3.806 0.005 . 2 . . . . 20 S QB . 17244 1 147 . 1 1 20 20 SER CA C 13 58.74 0.07 . 1 . . . . 20 S CA . 17244 1 148 . 1 1 20 20 SER CB C 13 63.649 0.075 . 1 . . . . 20 S CB . 17244 1 149 . 1 1 20 20 SER N N 15 116.778 0.083 . 1 . . . . 20 S N . 17244 1 150 . 1 1 21 21 LEU H H 1 8.249 0.004 . 1 . . . . 21 L HN . 17244 1 151 . 1 1 21 21 LEU HA H 1 4.282 0.003 . 1 . . . . 21 L HA . 17244 1 152 . 1 1 21 21 LEU HB2 H 1 1.554 0.015 . 2 . . . . 21 L QB . 17244 1 153 . 1 1 21 21 LEU HB3 H 1 1.554 0.015 . 2 . . . . 21 L QB . 17244 1 154 . 1 1 21 21 LEU HD11 H 1 0.807 0.014 . 9 . . . . 21 L QQD . 17244 1 155 . 1 1 21 21 LEU HD12 H 1 0.807 0.014 . 9 . . . . 21 L QQD . 17244 1 156 . 1 1 21 21 LEU HD13 H 1 0.807 0.014 . 9 . . . . 21 L QQD . 17244 1 157 . 1 1 21 21 LEU HD21 H 1 0.807 0.014 . 9 . . . . 21 L QQD . 17244 1 158 . 1 1 21 21 LEU HD22 H 1 0.807 0.014 . 9 . . . . 21 L QQD . 17244 1 159 . 1 1 21 21 LEU HD23 H 1 0.807 0.014 . 9 . . . . 21 L QQD . 17244 1 160 . 1 1 21 21 LEU CA C 13 55.622 0.053 . 1 . . . . 21 L CA . 17244 1 161 . 1 1 21 21 LEU CB C 13 41.902 0.201 . 1 . . . . 21 L CB . 17244 1 162 . 1 1 21 21 LEU CD1 C 13 24.742 0.059 . 2 . . . . 21 L CD1 . 17244 1 163 . 1 1 21 21 LEU CG C 13 27.312 0.049 . 1 . . . . 21 L CG . 17244 1 164 . 1 1 21 21 LEU N N 15 124.125 0.018 . 1 . . . . 21 L N . 17244 1 165 . 1 1 22 22 ILE H H 1 7.909 0.004 . 1 . . . . 22 I HN . 17244 1 166 . 1 1 22 22 ILE HA H 1 3.956 0.005 . 1 . . . . 22 I HA . 17244 1 167 . 1 1 22 22 ILE HB H 1 1.687 0.013 . 1 . . . . 22 I HB . 17244 1 168 . 1 1 22 22 ILE HG12 H 1 1.342 0.018 . 2 . . . . 22 I HG12 . 17244 1 169 . 1 1 22 22 ILE HG13 H 1 1.017 0.013 . 2 . . . . 22 I HG13 . 17244 1 170 . 1 1 22 22 ILE HG21 H 1 0.717 0.014 . 9 . . . . 22 I QG2 . 17244 1 171 . 1 1 22 22 ILE HG22 H 1 0.717 0.014 . 9 . . . . 22 I QG2 . 17244 1 172 . 1 1 22 22 ILE HG23 H 1 0.717 0.014 . 9 . . . . 22 I QG2 . 17244 1 173 . 1 1 22 22 ILE CA C 13 61.367 0.092 . 1 . . . . 22 I CA . 17244 1 174 . 1 1 22 22 ILE CB C 13 38.74 0.076 . 1 . . . . 22 I CB . 17244 1 175 . 1 1 22 22 ILE CD1 C 13 17.88 0.085 . 1 . . . . 22 I CD1 . 17244 1 176 . 1 1 22 22 ILE CG1 C 13 27.532 0.049 . 1 . . . . 22 I CG1 . 17244 1 177 . 1 1 22 22 ILE N N 15 120.286 0.117 . 1 . . . . 22 I N . 17244 1 178 . 1 1 23 23 ASP H H 1 8.129 0.001 . 1 . . . . 23 D HN . 17244 1 179 . 1 1 23 23 ASP HA H 1 4.55 0.002 . 1 . . . . 23 D HA . 17244 1 180 . 1 1 23 23 ASP HB2 H 1 3.056 0.008 . 2 . . . . 23 D QB . 17244 1 181 . 1 1 23 23 ASP HB3 H 1 3.056 0.008 . 2 . . . . 23 D QB . 17244 1 182 . 1 1 23 23 ASP CA C 13 55.044 0.083 . 1 . . . . 23 D CA . 17244 1 183 . 1 1 23 23 ASP CB C 13 40.595 0.061 . 1 . . . . 23 D CB . 17244 1 184 . 1 1 23 23 ASP N N 15 122.83 0.184 . 1 . . . . 23 D N . 17244 1 185 . 1 1 24 24 GLU H H 1 8.186 0.002 . 1 . . . . 24 E HN . 17244 1 186 . 1 1 24 24 GLU HA H 1 4.197 0.003 . 1 . . . . 24 E HA . 17244 1 187 . 1 1 24 24 GLU HB2 H 1 1.958 0.014 . 2 . . . . 24 E HB2 . 17244 1 188 . 1 1 24 24 GLU HB3 H 1 1.82 0.015 . 2 . . . . 24 E HB3 . 17244 1 189 . 1 1 24 24 GLU CA C 13 58.311 0.057 . 1 . . . . 24 E CA . 17244 1 190 . 1 1 24 24 GLU CB C 13 29.964 0.054 . 1 . . . . 24 E CB . 17244 1 191 . 1 1 24 24 GLU CG C 13 36.254 0.017 . 1 . . . . 24 E CG . 17244 1 192 . 1 1 24 24 GLU N N 15 120.718 0.015 . 1 . . . . 24 E N . 17244 1 193 . 1 1 25 25 ASP H H 1 8.112 0.005 . 1 . . . . 25 D HN . 17244 1 194 . 1 1 25 25 ASP HA H 1 4.706 0.002 . 1 . . . . 25 D HA . 17244 1 195 . 1 1 25 25 ASP HB2 H 1 2.73 0.009 . 2 . . . . 25 D HB2 . 17244 1 196 . 1 1 25 25 ASP HB3 H 1 2.533 0.012 . 2 . . . . 25 D HB3 . 17244 1 197 . 1 1 25 25 ASP CA C 13 53.766 0.193 . 1 . . . . 25 D CA . 17244 1 198 . 1 1 25 25 ASP CB C 13 41.099 0.043 . 1 . . . . 25 D CB . 17244 1 199 . 1 1 25 25 ASP N N 15 117.784 0.017 . 1 . . . . 25 D N . 17244 1 200 . 1 1 26 26 ALA H H 1 7.642 0.006 . 1 . . . . 26 A HN . 17244 1 201 . 1 1 26 26 ALA HA H 1 4.221 0.003 . 1 . . . . 26 A HA . 17244 1 202 . 1 1 26 26 ALA HB1 H 1 1.457 0.015 . 9 . . . . 26 A QB . 17244 1 203 . 1 1 26 26 ALA HB2 H 1 1.457 0.015 . 9 . . . . 26 A QB . 17244 1 204 . 1 1 26 26 ALA HB3 H 1 1.457 0.015 . 9 . . . . 26 A QB . 17244 1 205 . 1 1 26 26 ALA CA C 13 52.958 0.208 . 1 . . . . 26 A CA . 17244 1 206 . 1 1 26 26 ALA CB C 13 20.05 0.067 . 1 . . . . 26 A CB . 17244 1 207 . 1 1 26 26 ALA N N 15 123.137 0.188 . 1 . . . . 26 A N . 17244 1 208 . 1 1 27 27 VAL H H 1 8.028 0.006 . 1 . . . . 27 V HN . 17244 1 209 . 1 1 27 27 VAL HA H 1 4.303 0.003 . 1 . . . . 27 V HA . 17244 1 210 . 1 1 27 27 VAL HB H 1 1.408 0.017 . 1 . . . . 27 V HB . 17244 1 211 . 1 1 27 27 VAL HG11 H 1 0.621 0.021 . 9 . . . . 27 V QQG . 17244 1 212 . 1 1 27 27 VAL HG12 H 1 0.621 0.021 . 9 . . . . 27 V QQG . 17244 1 213 . 1 1 27 27 VAL HG13 H 1 0.621 0.021 . 9 . . . . 27 V QQG . 17244 1 214 . 1 1 27 27 VAL HG21 H 1 0.621 0.021 . 9 . . . . 27 V QQG . 17244 1 215 . 1 1 27 27 VAL HG22 H 1 0.621 0.021 . 9 . . . . 27 V QQG . 17244 1 216 . 1 1 27 27 VAL HG23 H 1 0.621 0.021 . 9 . . . . 27 V QQG . 17244 1 217 . 1 1 27 27 VAL CA C 13 57.925 0.051 . 1 . . . . 27 V CA . 17244 1 218 . 1 1 27 27 VAL CB C 13 34.739 0.053 . 1 . . . . 27 V CB . 17244 1 219 . 1 1 27 27 VAL CG1 C 13 21.389 0.072 . 2 . . . . 27 V CG1 . 17244 1 220 . 1 1 27 27 VAL CG2 C 13 17.944 0.084 . 2 . . . . 27 V CG2 . 17244 1 221 . 1 1 27 27 VAL N N 15 111.974 0.233 . 1 . . . . 27 V N . 17244 1 222 . 1 1 28 28 CYS H H 1 7.399 0.008 . 1 . . . . 28 C HN . 17244 1 223 . 1 1 28 28 CYS HA H 1 3.756 0.007 . 1 . . . . 28 C HA . 17244 1 224 . 1 1 28 28 CYS HB2 H 1 3.412 0.006 . 2 . . . . 28 C HB2 . 17244 1 225 . 1 1 28 28 CYS HB3 H 1 1.926 0.013 . 2 . . . . 28 C HB3 . 17244 1 226 . 1 1 28 28 CYS CA C 13 58.635 0.13 . 1 . . . . 28 C CA . 17244 1 227 . 1 1 28 28 CYS CB C 13 31.514 0.116 . 1 . . . . 28 C CB . 17244 1 228 . 1 1 28 28 CYS N N 15 122.327 0.055 . 1 . . . . 28 C N . 17244 1 229 . 1 1 29 29 SER H H 1 9.067 0.008 . 1 . . . . 29 S HN . 17244 1 230 . 1 1 29 29 SER HA H 1 4.513 0.002 . 1 . . . . 29 S HA . 17244 1 231 . 1 1 29 29 SER HB2 H 1 3.849 0.004 . 2 . . . . 29 S QB . 17244 1 232 . 1 1 29 29 SER HB3 H 1 3.849 0.004 . 2 . . . . 29 S QB . 17244 1 233 . 1 1 29 29 SER CA C 13 60.567 0.093 . 1 . . . . 29 S CA . 17244 1 234 . 1 1 29 29 SER CB C 13 64.052 0.159 . 1 . . . . 29 S CB . 17244 1 235 . 1 1 29 29 SER N N 15 123.243 0.207 . 1 . . . . 29 S N . 17244 1 236 . 1 1 30 30 ILE H H 1 9.039 0.011 . 1 . . . . 30 I HN . 17244 1 237 . 1 1 30 30 ILE HA H 1 4.26 0.003 . 1 . . . . 30 I HA . 17244 1 238 . 1 1 30 30 ILE HB H 1 1.727 0.015 . 1 . . . . 30 I HB . 17244 1 239 . 1 1 30 30 ILE HG12 H 1 1.173 0.018 . 9 . . . . 30 I QG1 . 17244 1 240 . 1 1 30 30 ILE HG13 H 1 1.173 0.018 . 9 . . . . 30 I QG1 . 17244 1 241 . 1 1 30 30 ILE HG21 H 1 0.964 0.02 . 9 . . . . 30 I QG2 . 17244 1 242 . 1 1 30 30 ILE HG22 H 1 0.964 0.02 . 9 . . . . 30 I QG2 . 17244 1 243 . 1 1 30 30 ILE HG23 H 1 0.964 0.02 . 9 . . . . 30 I QG2 . 17244 1 244 . 1 1 30 30 ILE CA C 13 64.022 0.096 . 1 . . . . 30 I CA . 17244 1 245 . 1 1 30 30 ILE CB C 13 39.059 0.136 . 1 . . . . 30 I CB . 17244 1 246 . 1 1 30 30 ILE CD1 C 13 14.174 0.158 . 1 . . . . 30 I CD1 . 17244 1 247 . 1 1 30 30 ILE CG1 C 13 28.867 0.109 . 1 . . . . 30 I CG1 . 17244 1 248 . 1 1 30 30 ILE CG2 C 13 16.646 0.155 . 1 . . . . 30 I CG2 . 17244 1 249 . 1 1 30 30 ILE N N 15 123.865 0.07 . 1 . . . . 30 I N . 17244 1 250 . 1 1 31 31 CYS H H 1 8.087 0.013 . 1 . . . . 31 C HN . 17244 1 251 . 1 1 31 31 CYS HA H 1 4.883 0.001 . 1 . . . . 31 C HA . 17244 1 252 . 1 1 31 31 CYS HB2 H 1 3.192 0.009 . 2 . . . . 31 C HB2 . 17244 1 253 . 1 1 31 31 CYS HB3 H 1 2.696 0.011 . 2 . . . . 31 C HB3 . 17244 1 254 . 1 1 31 31 CYS CA C 13 58.785 0.078 . 1 . . . . 31 C CA . 17244 1 255 . 1 1 31 31 CYS CB C 13 31.263 0.077 . 1 . . . . 31 C CB . 17244 1 256 . 1 1 31 31 CYS N N 15 117.809 0.079 . 1 . . . . 31 C N . 17244 1 257 . 1 1 32 32 MET H H 1 7.997 0.01 . 1 . . . . 32 M HN . 17244 1 258 . 1 1 32 32 MET HA H 1 4.296 0.003 . 1 . . . . 32 M HA . 17244 1 259 . 1 1 32 32 MET HB2 H 1 1.869 0.014 . 2 . . . . 32 M HB2 . 17244 1 260 . 1 1 32 32 MET HB3 H 1 1.675 0.016 . 2 . . . . 32 M HB3 . 17244 1 261 . 1 1 32 32 MET N N 15 117.656 0.006 . 1 . . . . 32 M N . 17244 1 262 . 1 1 33 33 ASP H H 1 8.403 0.011 . 1 . . . . 33 D HN . 17244 1 263 . 1 1 33 33 ASP HA H 1 5.015 0.004 . 1 . . . . 33 D HA . 17244 1 264 . 1 1 33 33 ASP HB2 H 1 3.117 0.007 . 2 . . . . 33 D HB2 . 17244 1 265 . 1 1 33 33 ASP HB3 H 1 2.657 0.012 . 2 . . . . 33 D HB3 . 17244 1 266 . 1 1 33 33 ASP CA C 13 53.782 0.163 . 1 . . . . 33 D CA . 17244 1 267 . 1 1 33 33 ASP CB C 13 45.886 0.195 . 1 . . . . 33 D CB . 17244 1 268 . 1 1 33 33 ASP N N 15 121.157 0.017 . 1 . . . . 33 D N . 17244 1 269 . 1 1 34 34 GLY H H 1 8.679 0.007 . 1 . . . . 34 G HN . 17244 1 270 . 1 1 34 34 GLY HA2 H 1 4.363 0.002 . 2 . . . . 34 G HA2 . 17244 1 271 . 1 1 34 34 GLY HA3 H 1 3.677 0.005 . 2 . . . . 34 G HA3 . 17244 1 272 . 1 1 34 34 GLY CA C 13 45.412 0.178 . 1 . . . . 34 G CA . 17244 1 273 . 1 1 34 34 GLY N N 15 111.963 0.142 . 1 . . . . 34 G N . 17244 1 274 . 1 1 35 35 GLU H H 1 8.614 0.007 . 1 . . . . 35 E HN . 17244 1 275 . 1 1 35 35 GLU HA H 1 4.204 0.003 . 1 . . . . 35 E HA . 17244 1 276 . 1 1 35 35 GLU HB2 H 1 2.079 0.012 . 2 . . . . 35 E QB . 17244 1 277 . 1 1 35 35 GLU HB3 H 1 2.079 0.012 . 2 . . . . 35 E QB . 17244 1 278 . 1 1 35 35 GLU HG2 H 1 2.268 0.008 . 2 . . . . 35 E QG . 17244 1 279 . 1 1 35 35 GLU HG3 H 1 2.268 0.008 . 2 . . . . 35 E QG . 17244 1 280 . 1 1 35 35 GLU CA C 13 57.253 0.067 . 1 . . . . 35 E CA . 17244 1 281 . 1 1 35 35 GLU CB C 13 29.889 0.168 . 1 . . . . 35 E CB . 17244 1 282 . 1 1 35 35 GLU CG C 13 36.584 0.015 . 1 . . . . 35 E CG . 17244 1 283 . 1 1 35 35 GLU N N 15 122.754 0.269 . 1 . . . . 35 E N . 17244 1 284 . 1 1 36 36 SER H H 1 8.912 0.006 . 1 . . . . 36 S HN . 17244 1 285 . 1 1 36 36 SER HA H 1 4.291 0.003 . 1 . . . . 36 S HA . 17244 1 286 . 1 1 36 36 SER HB2 H 1 4.11 0.003 . 2 . . . . 36 S QB . 17244 1 287 . 1 1 36 36 SER HB3 H 1 4.11 0.003 . 2 . . . . 36 S QB . 17244 1 288 . 1 1 36 36 SER CA C 13 56.866 0.071 . 1 . . . . 36 S CA . 17244 1 289 . 1 1 36 36 SER CB C 13 63.479 0.029 . 1 . . . . 36 S CB . 17244 1 290 . 1 1 36 36 SER N N 15 121.176 0.175 . 1 . . . . 36 S N . 17244 1 291 . 1 1 37 37 GLN H H 1 7.965 0.003 . 1 . . . . 37 Q HN . 17244 1 292 . 1 1 37 37 GLN HA H 1 4.654 0.001 . 1 . . . . 37 Q HA . 17244 1 293 . 1 1 37 37 GLN HB2 H 1 2.19 0.013 . 2 . . . . 37 Q HB2 . 17244 1 294 . 1 1 37 37 GLN HB3 H 1 1.829 0.015 . 2 . . . . 37 Q HB3 . 17244 1 295 . 1 1 37 37 GLN HG2 H 1 2.292 0.009 . 2 . . . . 37 Q QG . 17244 1 296 . 1 1 37 37 GLN HG3 H 1 2.292 0.009 . 2 . . . . 37 Q QG . 17244 1 297 . 1 1 37 37 GLN CA C 13 54.468 0.139 . 1 . . . . 37 Q CA . 17244 1 298 . 1 1 37 37 GLN CB C 13 31.369 0.062 . 1 . . . . 37 Q CB . 17244 1 299 . 1 1 37 37 GLN CG C 13 33.093 0.028 . 1 . . . . 37 Q CG . 17244 1 300 . 1 1 37 37 GLN N N 15 122.149 0.059 . 1 . . . . 37 Q N . 17244 1 301 . 1 1 38 38 ASN H H 1 8.924 0.006 . 1 . . . . 38 N HN . 17244 1 302 . 1 1 38 38 ASN HA H 1 4.236 0.006 . 1 . . . . 38 N HA . 17244 1 303 . 1 1 38 38 ASN HB2 H 1 2.779 0.009 . 2 . . . . 38 N QB . 17244 1 304 . 1 1 38 38 ASN HB3 H 1 2.779 0.009 . 2 . . . . 38 N QB . 17244 1 305 . 1 1 38 38 ASN HD21 H 1 7.695 0.013 . 2 . . . . 38 N HD21 . 17244 1 306 . 1 1 38 38 ASN HD22 H 1 6.968 0.012 . 2 . . . . 38 N HD22 . 17244 1 307 . 1 1 38 38 ASN CA C 13 56.078 0.08 . 1 . . . . 38 N CA . 17244 1 308 . 1 1 38 38 ASN CB C 13 37.939 0.044 . 1 . . . . 38 N CB . 17244 1 309 . 1 1 38 38 ASN N N 15 118.834 0.058 . 1 . . . . 38 N N . 17244 1 310 . 1 1 38 38 ASN ND2 N 15 113.422 0.001 . 1 . . . . 38 N ND2 . 17244 1 311 . 1 1 39 39 SER H H 1 8.137 0.007 . 1 . . . . 39 S HN . 17244 1 312 . 1 1 39 39 SER HA H 1 4.36 0.002 . 1 . . . . 39 S HA . 17244 1 313 . 1 1 39 39 SER HB2 H 1 3.79 0.006 . 2 . . . . 39 S QB . 17244 1 314 . 1 1 39 39 SER HB3 H 1 3.79 0.006 . 2 . . . . 39 S QB . 17244 1 315 . 1 1 39 39 SER CA C 13 58.835 0.057 . 1 . . . . 39 S CA . 17244 1 316 . 1 1 39 39 SER CB C 13 63.117 0.103 . 1 . . . . 39 S CB . 17244 1 317 . 1 1 39 39 SER N N 15 113.136 0.082 . 1 . . . . 39 S N . 17244 1 318 . 1 1 40 40 ASN H H 1 8.005 0.007 . 1 . . . . 40 N HN . 17244 1 319 . 1 1 40 40 ASN HA H 1 4.873 0.002 . 1 . . . . 40 N HA . 17244 1 320 . 1 1 40 40 ASN HB2 H 1 2.554 0.01 . 2 . . . . 40 N QB . 17244 1 321 . 1 1 40 40 ASN HB3 H 1 2.554 0.01 . 2 . . . . 40 N QB . 17244 1 322 . 1 1 40 40 ASN HD21 H 1 6.985 0.011 . 2 . . . . 40 N HD21 . 17244 1 323 . 1 1 40 40 ASN HD22 H 1 6.755 0.01 . 2 . . . . 40 N HD22 . 17244 1 324 . 1 1 40 40 ASN CA C 13 52.849 0.081 . 1 . . . . 40 N CA . 17244 1 325 . 1 1 40 40 ASN CB C 13 37.542 0.042 . 1 . . . . 40 N CB . 17244 1 326 . 1 1 40 40 ASN N N 15 121.324 0.095 . 1 . . . . 40 N N . 17244 1 327 . 1 1 40 40 ASN ND2 N 15 111.004 0.001 . 1 . . . . 40 N ND2 . 17244 1 328 . 1 1 41 41 VAL H H 1 8.569 0.007 . 1 . . . . 41 V HN . 17244 1 329 . 1 1 41 41 VAL HA H 1 4.355 0.003 . 1 . . . . 41 V HA . 17244 1 330 . 1 1 41 41 VAL HB H 1 2.053 0.013 . 1 . . . . 41 V HB . 17244 1 331 . 1 1 41 41 VAL HG11 H 1 0.804 0.021 . 9 . . . . 41 V QG1 . 17244 1 332 . 1 1 41 41 VAL HG12 H 1 0.804 0.021 . 9 . . . . 41 V QG1 . 17244 1 333 . 1 1 41 41 VAL HG13 H 1 0.804 0.021 . 9 . . . . 41 V QG1 . 17244 1 334 . 1 1 41 41 VAL HG21 H 1 0.694 0.021 . 9 . . . . 41 V QG2 . 17244 1 335 . 1 1 41 41 VAL HG22 H 1 0.694 0.021 . 9 . . . . 41 V QG2 . 17244 1 336 . 1 1 41 41 VAL HG23 H 1 0.694 0.021 . 9 . . . . 41 V QG2 . 17244 1 337 . 1 1 41 41 VAL CA C 13 61.357 0.246 . 1 . . . . 41 V CA . 17244 1 338 . 1 1 41 41 VAL CB C 13 33.274 0.12 . 1 . . . . 41 V CB . 17244 1 339 . 1 1 41 41 VAL CG1 C 13 21.558 0.104 . 2 . . . . 41 V CG1 . 17244 1 340 . 1 1 41 41 VAL CG2 C 13 19.366 0.24 . 2 . . . . 41 V CG2 . 17244 1 341 . 1 1 41 41 VAL N N 15 119.913 0.087 . 1 . . . . 41 V N . 17244 1 342 . 1 1 42 42 ILE H H 1 8.098 0.01 . 1 . . . . 42 I HN . 17244 1 343 . 1 1 42 42 ILE HA H 1 3.985 0.004 . 1 . . . . 42 I HA . 17244 1 344 . 1 1 42 42 ILE HB H 1 1.077 0.019 . 1 . . . . 42 I HB . 17244 1 345 . 1 1 42 42 ILE HD11 H 1 -0.181 0.015 . 9 . . . . 42 I QD1 . 17244 1 346 . 1 1 42 42 ILE HD12 H 1 -0.181 0.015 . 9 . . . . 42 I QD1 . 17244 1 347 . 1 1 42 42 ILE HD13 H 1 -0.181 0.015 . 9 . . . . 42 I QD1 . 17244 1 348 . 1 1 42 42 ILE HG21 H 1 0.289 0.013 . 9 . . . . 42 I QG2 . 17244 1 349 . 1 1 42 42 ILE HG22 H 1 0.289 0.013 . 9 . . . . 42 I QG2 . 17244 1 350 . 1 1 42 42 ILE HG23 H 1 0.289 0.013 . 9 . . . . 42 I QG2 . 17244 1 351 . 1 1 42 42 ILE CA C 13 61.167 0.144 . 1 . . . . 42 I CA . 17244 1 352 . 1 1 42 42 ILE CB C 13 37.995 0.078 . 1 . . . . 42 I CB . 17244 1 353 . 1 1 42 42 ILE CD1 C 13 17.244 0.087 . 1 . . . . 42 I CD1 . 17244 1 354 . 1 1 42 42 ILE CG1 C 13 30.666 0.037 . 1 . . . . 42 I CG1 . 17244 1 355 . 1 1 42 42 ILE N N 15 120.873 0.016 . 1 . . . . 42 I N . 17244 1 356 . 1 1 43 43 LEU H H 1 8.398 0.007 . 1 . . . . 43 L HN . 17244 1 357 . 1 1 43 43 LEU HA H 1 4.53 0.012 . 1 . . . . 43 L HA . 17244 1 358 . 1 1 43 43 LEU HB2 H 1 0.909 0.02 . 2 . . . . 43 L HB2 . 17244 1 359 . 1 1 43 43 LEU HB3 H 1 0.744 0.02 . 2 . . . . 43 L HB3 . 17244 1 360 . 1 1 43 43 LEU HD11 H 1 -0.284 0.017 . 9 . . . . 43 L QD1 . 17244 1 361 . 1 1 43 43 LEU HD12 H 1 -0.284 0.017 . 9 . . . . 43 L QD1 . 17244 1 362 . 1 1 43 43 LEU HD13 H 1 -0.284 0.017 . 9 . . . . 43 L QD1 . 17244 1 363 . 1 1 43 43 LEU HD21 H 1 -0.012 0.013 . 9 . . . . 43 L QD2 . 17244 1 364 . 1 1 43 43 LEU HD22 H 1 -0.012 0.013 . 9 . . . . 43 L QD2 . 17244 1 365 . 1 1 43 43 LEU HD23 H 1 -0.012 0.013 . 9 . . . . 43 L QD2 . 17244 1 366 . 1 1 43 43 LEU HG H 1 0.805 0.014 . 1 . . . . 43 L HG . 17244 1 367 . 1 1 43 43 LEU CA C 13 53.634 0.185 . 1 . . . . 43 L CA . 17244 1 368 . 1 1 43 43 LEU CB C 13 45.719 0.066 . 1 . . . . 43 L CB . 17244 1 369 . 1 1 43 43 LEU CD1 C 13 26.64 0.052 . 2 . . . . 43 L CD1 . 17244 1 370 . 1 1 43 43 LEU N N 15 129.196 0.145 . 1 . . . . 43 L N . 17244 1 371 . 1 1 44 44 PHE H H 1 7.482 0.004 . 1 . . . . 44 F HN . 17244 1 372 . 1 1 44 44 PHE HA H 1 5.724 0.004 . 1 . . . . 44 F HA . 17244 1 373 . 1 1 44 44 PHE HB2 H 1 2.743 0.009 . 2 . . . . 44 F HB2 . 17244 1 374 . 1 1 44 44 PHE HB3 H 1 2.485 0.01 . 2 . . . . 44 F HB3 . 17244 1 375 . 1 1 44 44 PHE CA C 13 55.128 0.123 . 1 . . . . 44 F CA . 17244 1 376 . 1 1 44 44 PHE CB C 13 42.023 0.074 . 1 . . . . 44 F CB . 17244 1 377 . 1 1 44 44 PHE N N 15 114.198 0.215 . 1 . . . . 44 F N . 17244 1 378 . 1 1 45 45 CYS H H 1 9.293 0.007 . 1 . . . . 45 C HN . 17244 1 379 . 1 1 45 45 CYS HA H 1 4.743 0.005 . 1 . . . . 45 C HA . 17244 1 380 . 1 1 45 45 CYS HB2 H 1 3.309 0.007 . 2 . . . . 45 C HB2 . 17244 1 381 . 1 1 45 45 CYS HB3 H 1 2.755 0.008 . 2 . . . . 45 C HB3 . 17244 1 382 . 1 1 45 45 CYS CA C 13 59.529 0.166 . 1 . . . . 45 C CA . 17244 1 383 . 1 1 45 45 CYS CB C 13 30.615 0.097 . 1 . . . . 45 C CB . 17244 1 384 . 1 1 45 45 CYS N N 15 124.785 0.176 . 1 . . . . 45 C N . 17244 1 385 . 1 1 46 46 ASP H H 1 9.396 0.006 . 1 . . . . 46 D HN . 17244 1 386 . 1 1 46 46 ASP HA H 1 4.613 0.004 . 1 . . . . 46 D HA . 17244 1 387 . 1 1 46 46 ASP HB2 H 1 2.732 0.01 . 2 . . . . 46 D HB2 . 17244 1 388 . 1 1 46 46 ASP HB3 H 1 2.49 0.012 . 2 . . . . 46 D HB3 . 17244 1 389 . 1 1 46 46 ASP CA C 13 57.908 0.059 . 1 . . . . 46 D CA . 17244 1 390 . 1 1 46 46 ASP CB C 13 42.472 0.085 . 1 . . . . 46 D CB . 17244 1 391 . 1 1 46 46 ASP N N 15 129.807 0.159 . 1 . . . . 46 D N . 17244 1 392 . 1 1 47 47 MET H H 1 9.164 0.008 . 1 . . . . 47 M HN . 17244 1 393 . 1 1 47 47 MET HA H 1 4.668 0.003 . 1 . . . . 47 M HA . 17244 1 394 . 1 1 47 47 MET HB2 H 1 2.545 0.011 . 2 . . . . 47 M HB2 . 17244 1 395 . 1 1 47 47 MET HB3 H 1 2.026 0.014 . 2 . . . . 47 M HB3 . 17244 1 396 . 1 1 47 47 MET HG2 H 1 2.434 0.008 . 2 . . . . 47 M QG . 17244 1 397 . 1 1 47 47 MET HG3 H 1 2.434 0.008 . 2 . . . . 47 M QG . 17244 1 398 . 1 1 47 47 MET CA C 13 57.679 0.071 . 1 . . . . 47 M CA . 17244 1 399 . 1 1 47 47 MET CB C 13 34.917 0.105 . 1 . . . . 47 M CB . 17244 1 400 . 1 1 47 47 MET CG C 13 33.026 0.029 . 1 . . . . 47 M CG . 17244 1 401 . 1 1 47 47 MET N N 15 121.092 0.205 . 1 . . . . 47 M N . 17244 1 402 . 1 1 48 48 CYS H H 1 8.391 0.006 . 1 . . . . 48 C HN . 17244 1 403 . 1 1 48 48 CYS HA H 1 4.895 0.003 . 1 . . . . 48 C HA . 17244 1 404 . 1 1 48 48 CYS HB2 H 1 3.185 0.009 . 2 . . . . 48 C HB2 . 17244 1 405 . 1 1 48 48 CYS HB3 H 1 2.467 0.012 . 2 . . . . 48 C HB3 . 17244 1 406 . 1 1 48 48 CYS CA C 13 59.017 0.101 . 1 . . . . 48 C CA . 17244 1 407 . 1 1 48 48 CYS CB C 13 32.902 0.093 . 1 . . . . 48 C CB . 17244 1 408 . 1 1 48 48 CYS N N 15 119.659 0.087 . 1 . . . . 48 C N . 17244 1 409 . 1 1 49 49 ASN H H 1 8.069 0.011 . 1 . . . . 49 N HN . 17244 1 410 . 1 1 49 49 ASN HA H 1 4.717 0.015 . 1 . . . . 49 N HA . 17244 1 411 . 1 1 49 49 ASN HB2 H 1 2.947 0.008 . 2 . . . . 49 N HB2 . 17244 1 412 . 1 1 49 49 ASN HB3 H 1 2.79 0.008 . 2 . . . . 49 N HB3 . 17244 1 413 . 1 1 49 49 ASN HD21 H 1 6.779 0.009 . 2 . . . . 49 N HD21 . 17244 1 414 . 1 1 49 49 ASN HD22 H 1 7.61 0.008 . 2 . . . . 49 N HD22 . 17244 1 415 . 1 1 49 49 ASN CA C 13 55.373 0.13 . 1 . . . . 49 N CA . 17244 1 416 . 1 1 49 49 ASN CB C 13 39.609 0.085 . 1 . . . . 49 N CB . 17244 1 417 . 1 1 49 49 ASN N N 15 119.172 0.004 . 1 . . . . 49 N N . 17244 1 418 . 1 1 49 49 ASN ND2 N 15 112.521 0.001 . 1 . . . . 49 N ND2 . 17244 1 419 . 1 1 50 50 LEU H H 1 8.65 0.006 . 1 . . . . 50 L HN . 17244 1 420 . 1 1 50 50 LEU HA H 1 3.998 0.004 . 1 . . . . 50 L HA . 17244 1 421 . 1 1 50 50 LEU HB2 H 1 1.996 0.012 . 2 . . . . 50 L HB2 . 17244 1 422 . 1 1 50 50 LEU HB3 H 1 1.496 0.018 . 2 . . . . 50 L HB3 . 17244 1 423 . 1 1 50 50 LEU HD11 H 1 0.901 0.02 . 9 . . . . 50 L QD1 . 17244 1 424 . 1 1 50 50 LEU HD12 H 1 0.901 0.02 . 9 . . . . 50 L QD1 . 17244 1 425 . 1 1 50 50 LEU HD13 H 1 0.901 0.02 . 9 . . . . 50 L QD1 . 17244 1 426 . 1 1 50 50 LEU HD21 H 1 0.768 0.02 . 9 . . . . 50 L QD2 . 17244 1 427 . 1 1 50 50 LEU HD22 H 1 0.768 0.02 . 9 . . . . 50 L QD2 . 17244 1 428 . 1 1 50 50 LEU HD23 H 1 0.768 0.02 . 9 . . . . 50 L QD2 . 17244 1 429 . 1 1 50 50 LEU HG H 1 1.321 0.018 . 1 . . . . 50 L HG . 17244 1 430 . 1 1 50 50 LEU CA C 13 57.562 0.101 . 1 . . . . 50 L CA . 17244 1 431 . 1 1 50 50 LEU CB C 13 44.02 0.058 . 1 . . . . 50 L CB . 17244 1 432 . 1 1 50 50 LEU CD1 C 13 26.414 0.053 . 2 . . . . 50 L CD1 . 17244 1 433 . 1 1 50 50 LEU N N 15 123.831 0.103 . 1 . . . . 50 L N . 17244 1 434 . 1 1 51 51 ALA H H 1 8.242 0.007 . 1 . . . . 51 A HN . 17244 1 435 . 1 1 51 51 ALA HA H 1 5.219 0.005 . 1 . . . . 51 A HA . 17244 1 436 . 1 1 51 51 ALA HB1 H 1 0.871 0.018 . 9 . . . . 51 A QB . 17244 1 437 . 1 1 51 51 ALA HB2 H 1 0.871 0.018 . 9 . . . . 51 A QB . 17244 1 438 . 1 1 51 51 ALA HB3 H 1 0.871 0.018 . 9 . . . . 51 A QB . 17244 1 439 . 1 1 51 51 ALA CA C 13 49.355 0.055 . 1 . . . . 51 A CA . 17244 1 440 . 1 1 51 51 ALA CB C 13 20.516 0.22 . 1 . . . . 51 A CB . 17244 1 441 . 1 1 51 51 ALA N N 15 129.019 0.234 . 1 . . . . 51 A N . 17244 1 442 . 1 1 52 52 VAL H H 1 8.474 0.008 . 1 . . . . 52 V HN . 17244 1 443 . 1 1 52 52 VAL HA H 1 5.366 0.002 . 1 . . . . 52 V HA . 17244 1 444 . 1 1 52 52 VAL HB H 1 1.93 0.013 . 1 . . . . 52 V HB . 17244 1 445 . 1 1 52 52 VAL HG11 H 1 0.706 0.014 . 9 . . . . 52 V QG1 . 17244 1 446 . 1 1 52 52 VAL HG12 H 1 0.706 0.014 . 9 . . . . 52 V QG1 . 17244 1 447 . 1 1 52 52 VAL HG13 H 1 0.706 0.014 . 9 . . . . 52 V QG1 . 17244 1 448 . 1 1 52 52 VAL HG21 H 1 0.249 0.015 . 9 . . . . 52 V QG2 . 17244 1 449 . 1 1 52 52 VAL HG22 H 1 0.249 0.015 . 9 . . . . 52 V QG2 . 17244 1 450 . 1 1 52 52 VAL HG23 H 1 0.249 0.015 . 9 . . . . 52 V QG2 . 17244 1 451 . 1 1 52 52 VAL CA C 13 58.27 0.062 . 1 . . . . 52 V CA . 17244 1 452 . 1 1 52 52 VAL CB C 13 37.734 0.11 . 1 . . . . 52 V CB . 17244 1 453 . 1 1 52 52 VAL CG1 C 13 23.648 0.063 . 2 . . . . 52 V CG1 . 17244 1 454 . 1 1 52 52 VAL N N 15 116.019 0.128 . 1 . . . . 52 V N . 17244 1 455 . 1 1 53 53 HIS H H 1 9.221 0.006 . 1 . . . . 53 H HN . 17244 1 456 . 1 1 53 53 HIS HA H 1 4.595 0.001 . 1 . . . . 53 H HA . 17244 1 457 . 1 1 53 53 HIS HB2 H 1 3.073 0.009 . 2 . . . . 53 H QB . 17244 1 458 . 1 1 53 53 HIS HB3 H 1 3.073 0.009 . 2 . . . . 53 H QB . 17244 1 459 . 1 1 53 53 HIS CA C 13 58.764 0.078 . 1 . . . . 53 H CA . 17244 1 460 . 1 1 53 53 HIS CB C 13 31.792 0.076 . 1 . . . . 53 H CB . 17244 1 461 . 1 1 53 53 HIS N N 15 119.567 0.12 . 1 . . . . 53 H N . 17244 1 462 . 1 1 54 54 GLN H H 1 8.681 0.013 . 1 . . . . 54 Q HN . 17244 1 463 . 1 1 54 54 GLN HA H 1 3.676 0.005 . 1 . . . . 54 Q HA . 17244 1 464 . 1 1 54 54 GLN HB2 H 1 2.439 0.012 . 2 . . . . 54 Q HB2 . 17244 1 465 . 1 1 54 54 GLN HB3 H 1 2.231 0.017 . 2 . . . . 54 Q HB3 . 17244 1 466 . 1 1 54 54 GLN HE21 H 1 7.035 0.008 . 2 . . . . 54 Q HE21 . 17244 1 467 . 1 1 54 54 GLN HE22 H 1 6.534 0.01 . 2 . . . . 54 Q HE22 . 17244 1 468 . 1 1 54 54 GLN HG2 H 1 2.521 0.007 . 2 . . . . 54 Q QG . 17244 1 469 . 1 1 54 54 GLN HG3 H 1 2.521 0.007 . 2 . . . . 54 Q QG . 17244 1 470 . 1 1 54 54 GLN CA C 13 60.579 0.096 . 1 . . . . 54 Q CA . 17244 1 471 . 1 1 54 54 GLN CB C 13 31.387 0.105 . 1 . . . . 54 Q CB . 17244 1 472 . 1 1 54 54 GLN CG C 13 36.048 0.017 . 1 . . . . 54 Q CG . 17244 1 473 . 1 1 54 54 GLN N N 15 121.462 0.016 . 1 . . . . 54 Q N . 17244 1 474 . 1 1 54 54 GLN NE2 N 15 107.118 0.001 . 1 . . . . 54 Q NE2 . 17244 1 475 . 1 1 55 55 GLU H H 1 8.985 0.007 . 1 . . . . 55 E HN . 17244 1 476 . 1 1 55 55 GLU HA H 1 4.106 0.003 . 1 . . . . 55 E HA . 17244 1 477 . 1 1 55 55 GLU HB2 H 1 1.987 0.014 . 2 . . . . 55 E HB2 . 17244 1 478 . 1 1 55 55 GLU HB3 H 1 1.827 0.013 . 2 . . . . 55 E HB3 . 17244 1 479 . 1 1 55 55 GLU HG2 H 1 2.119 0.009 . 2 . . . . 55 E QG . 17244 1 480 . 1 1 55 55 GLU HG3 H 1 2.119 0.009 . 2 . . . . 55 E QG . 17244 1 481 . 1 1 55 55 GLU CA C 13 58.774 0.068 . 1 . . . . 55 E CA . 17244 1 482 . 1 1 55 55 GLU CB C 13 29.605 0.011 . 1 . . . . 55 E CB . 17244 1 483 . 1 1 55 55 GLU CG C 13 36.55 0.016 . 1 . . . . 55 E CG . 17244 1 484 . 1 1 55 55 GLU N N 15 116.776 0.066 . 1 . . . . 55 E N . 17244 1 485 . 1 1 56 56 CYS H H 1 6.641 0.006 . 1 . . . . 56 C HN . 17244 1 486 . 1 1 56 56 CYS HA H 1 4.13 0.004 . 1 . . . . 56 C HA . 17244 1 487 . 1 1 56 56 CYS HB2 H 1 2.845 0.009 . 2 . . . . 56 C HB2 . 17244 1 488 . 1 1 56 56 CYS HB3 H 1 3.075 0.008 . 2 . . . . 56 C HB3 . 17244 1 489 . 1 1 56 56 CYS CA C 13 62.879 0.137 . 1 . . . . 56 C CA . 17244 1 490 . 1 1 56 56 CYS CB C 13 29.932 0.19 . 1 . . . . 56 C CB . 17244 1 491 . 1 1 56 56 CYS N N 15 115.959 0.134 . 1 . . . . 56 C N . 17244 1 492 . 1 1 57 57 TYR H H 1 7.818 0.007 . 1 . . . . 57 Y HN . 17244 1 493 . 1 1 57 57 TYR HA H 1 4.489 0.002 . 1 . . . . 57 Y HA . 17244 1 494 . 1 1 57 57 TYR HB2 H 1 2.693 0.011 . 2 . . . . 57 Y QB . 17244 1 495 . 1 1 57 57 TYR HB3 H 1 2.693 0.011 . 2 . . . . 57 Y QB . 17244 1 496 . 1 1 57 57 TYR CA C 13 58.068 0.084 . 1 . . . . 57 Y CA . 17244 1 497 . 1 1 57 57 TYR CB C 13 41.67 0.166 . 1 . . . . 57 Y CB . 17244 1 498 . 1 1 57 57 TYR N N 15 117.26 0.054 . 1 . . . . 57 Y N . 17244 1 499 . 1 1 58 58 GLY H H 1 7.776 0.008 . 1 . . . . 58 G HN . 17244 1 500 . 1 1 58 58 GLY HA2 H 1 4.244 0.003 . 2 . . . . 58 G QA . 17244 1 501 . 1 1 58 58 GLY HA3 H 1 4.244 0.003 . 2 . . . . 58 G QA . 17244 1 502 . 1 1 58 58 GLY CA C 13 46.79 0.043 . 1 . . . . 58 G CA . 17244 1 503 . 1 1 58 58 GLY N N 15 107.988 0.167 . 1 . . . . 58 G N . 17244 1 504 . 1 1 59 59 VAL H H 1 8.287 0.012 . 1 . . . . 59 V HN . 17244 1 505 . 1 1 59 59 VAL CA C 13 58.297 0.071 . 1 . . . . 59 V CA . 17244 1 506 . 1 1 59 59 VAL CB C 13 32.443 0.036 . 1 . . . . 59 V CB . 17244 1 507 . 1 1 59 59 VAL CG1 C 13 23.293 0.117 . 2 . . . . 59 V CG1 . 17244 1 508 . 1 1 59 59 VAL CG2 C 13 18.184 0.172 . 2 . . . . 59 V CG2 . 17244 1 509 . 1 1 59 59 VAL N N 15 122.37 0.049 . 1 . . . . 59 V N . 17244 1 510 . 1 1 60 60 PRO HA H 1 4.24 0.003 . 1 . . . . 60 P HA . 17244 1 511 . 1 1 60 60 PRO HB2 H 1 2.132 0.012 . 2 . . . . 60 P HB2 . 17244 1 512 . 1 1 60 60 PRO HB3 H 1 1.713 0.016 . 2 . . . . 60 P HB3 . 17244 1 513 . 1 1 60 60 PRO HD2 H 1 3.673 0.009 . 2 . . . . 60 P QD . 17244 1 514 . 1 1 60 60 PRO HD3 H 1 3.673 0.009 . 2 . . . . 60 P QD . 17244 1 515 . 1 1 60 60 PRO HG2 H 1 1.961 0.009 . 2 . . . . 60 P QG . 17244 1 516 . 1 1 60 60 PRO HG3 H 1 1.961 0.009 . 2 . . . . 60 P QG . 17244 1 517 . 1 1 60 60 PRO CA C 13 64.46 0.077 . 1 . . . . 60 P CA . 17244 1 518 . 1 1 60 60 PRO CB C 13 32.059 0.11 . 1 . . . . 60 P CB . 17244 1 519 . 1 1 60 60 PRO CD C 13 50.731 0.037 . 1 . . . . 60 P CD . 17244 1 520 . 1 1 60 60 PRO CG C 13 27.279 0.049 . 1 . . . . 60 P CG . 17244 1 521 . 1 1 61 61 TYR H H 1 7.116 0.007 . 1 . . . . 61 Y HN . 17244 1 522 . 1 1 61 61 TYR HA H 1 4.679 0.001 . 1 . . . . 61 Y HA . 17244 1 523 . 1 1 61 61 TYR HB2 H 1 2.942 0.008 . 2 . . . . 61 Y HB2 . 17244 1 524 . 1 1 61 61 TYR HB3 H 1 2.758 0.01 . 2 . . . . 61 Y HB3 . 17244 1 525 . 1 1 61 61 TYR CA C 13 55.425 0.087 . 1 . . . . 61 Y CA . 17244 1 526 . 1 1 61 61 TYR CB C 13 40.145 0.108 . 1 . . . . 61 Y CB . 17244 1 527 . 1 1 61 61 TYR N N 15 114.766 0.199 . 1 . . . . 61 Y N . 17244 1 528 . 1 1 62 62 ILE H H 1 8.784 0.006 . 1 . . . . 62 I HN . 17244 1 529 . 1 1 62 62 ILE HA H 1 4.035 0.004 . 1 . . . . 62 I HA . 17244 1 530 . 1 1 62 62 ILE HB H 1 1.719 0.015 . 1 . . . . 62 I HB . 17244 1 531 . 1 1 62 62 ILE CA C 13 61.526 0.075 . 1 . . . . 62 I CA . 17244 1 532 . 1 1 62 62 ILE CB C 13 37.099 0.036 . 1 . . . . 62 I CB . 17244 1 533 . 1 1 62 62 ILE CD1 C 13 12.738 0.214 . 1 . . . . 62 I CD1 . 17244 1 534 . 1 1 62 62 ILE CG1 C 13 29.813 0.043 . 1 . . . . 62 I CG1 . 17244 1 535 . 1 1 62 62 ILE CG2 C 13 17.903 0.13 . 1 . . . . 62 I CG2 . 17244 1 536 . 1 1 62 62 ILE N N 15 124.688 0.167 . 1 . . . . 62 I N . 17244 1 537 . 1 1 63 63 PRO HA H 1 4.482 0.002 . 1 . . . . 63 P HA . 17244 1 538 . 1 1 63 63 PRO HB2 H 1 1.964 0.012 . 2 . . . . 63 P HB2 . 17244 1 539 . 1 1 63 63 PRO HB3 H 1 2.345 0.011 . 2 . . . . 63 P HB3 . 17244 1 540 . 1 1 63 63 PRO HD2 H 1 3.294 0.005 . 2 . . . . 63 P HD2 . 17244 1 541 . 1 1 63 63 PRO HG2 H 1 2.194 0.008 . 2 . . . . 63 P QG . 17244 1 542 . 1 1 63 63 PRO HG3 H 1 2.194 0.008 . 2 . . . . 63 P QG . 17244 1 543 . 1 1 63 63 PRO CA C 13 62.541 0.083 . 1 . . . . 63 P CA . 17244 1 544 . 1 1 63 63 PRO CB C 13 31.912 0.167 . 1 . . . . 63 P CB . 17244 1 545 . 1 1 63 63 PRO CD C 13 50.4 0.035 . 1 . . . . 63 P CD . 17244 1 546 . 1 1 63 63 PRO CG C 13 27.863 0.047 . 1 . . . . 63 P CG . 17244 1 547 . 1 1 64 64 GLU H H 1 8.664 0.006 . 1 . . . . 64 E HN . 17244 1 548 . 1 1 64 64 GLU HA H 1 4.08 0.005 . 1 . . . . 64 E HA . 17244 1 549 . 1 1 64 64 GLU HB2 H 1 1.973 0.012 . 2 . . . . 64 E QB . 17244 1 550 . 1 1 64 64 GLU HB3 H 1 1.973 0.012 . 2 . . . . 64 E QB . 17244 1 551 . 1 1 64 64 GLU HG2 H 1 2.301 0.009 . 2 . . . . 64 E QG . 17244 1 552 . 1 1 64 64 GLU HG3 H 1 2.301 0.009 . 2 . . . . 64 E QG . 17244 1 553 . 1 1 64 64 GLU CA C 13 58.271 0.116 . 1 . . . . 64 E CA . 17244 1 554 . 1 1 64 64 GLU CB C 13 29.976 0.053 . 1 . . . . 64 E CB . 17244 1 555 . 1 1 64 64 GLU CG C 13 36.463 0.016 . 1 . . . . 64 E CG . 17244 1 556 . 1 1 64 64 GLU N N 15 120.672 0.176 . 1 . . . . 64 E N . 17244 1 557 . 1 1 65 65 GLY H H 1 8.162 0.007 . 1 . . . . 65 G HN . 17244 1 558 . 1 1 65 65 GLY HA2 H 1 4.285 0.003 . 2 . . . . 65 G HA2 . 17244 1 559 . 1 1 65 65 GLY HA3 H 1 3.675 0.004 . 2 . . . . 65 G HA3 . 17244 1 560 . 1 1 65 65 GLY CA C 13 43.861 0.076 . 1 . . . . 65 G CA . 17244 1 561 . 1 1 65 65 GLY N N 15 108.18 0.157 . 1 . . . . 65 G N . 17244 1 562 . 1 1 66 66 GLN H H 1 8.266 0.001 . 1 . . . . 66 Q HN . 17244 1 563 . 1 1 66 66 GLN HA H 1 4.348 0.002 . 1 . . . . 66 Q HA . 17244 1 564 . 1 1 66 66 GLN HB2 H 1 2.228 0.013 . 2 . . . . 66 Q HB2 . 17244 1 565 . 1 1 66 66 GLN HB3 H 1 1.913 0.015 . 2 . . . . 66 Q HB3 . 17244 1 566 . 1 1 66 66 GLN HE21 H 1 7.609 0.009 . 2 . . . . 66 Q HE21 . 17244 1 567 . 1 1 66 66 GLN HE22 H 1 6.783 0.008 . 2 . . . . 66 Q HE22 . 17244 1 568 . 1 1 66 66 GLN CA C 13 56.863 0.048 . 1 . . . . 66 Q CA . 17244 1 569 . 1 1 66 66 GLN CB C 13 30.165 0.073 . 1 . . . . 66 Q CB . 17244 1 570 . 1 1 66 66 GLN CG C 13 34.316 0.024 . 1 . . . . 66 Q CG . 17244 1 571 . 1 1 66 66 GLN N N 15 119.582 0.079 . 1 . . . . 66 Q N . 17244 1 572 . 1 1 66 66 GLN NE2 N 15 111.564 0.001 . 1 . . . . 66 Q NE2 . 17244 1 573 . 1 1 67 67 TRP H H 1 8.983 0.009 . 1 . . . . 67 W HN . 17244 1 574 . 1 1 67 67 TRP HA H 1 4.548 0.002 . 1 . . . . 67 W HA . 17244 1 575 . 1 1 67 67 TRP HB2 H 1 3.534 0.013 . 2 . . . . 67 W HB2 . 17244 1 576 . 1 1 67 67 TRP HB3 H 1 2.707 0.01 . 2 . . . . 67 W HB3 . 17244 1 577 . 1 1 67 67 TRP HE1 H 1 9.951 0.008 . 1 . . . . 67 W HE1 . 17244 1 578 . 1 1 67 67 TRP CA C 13 59.658 0.102 . 1 . . . . 67 W CA . 17244 1 579 . 1 1 67 67 TRP CB C 13 30.538 0.175 . 1 . . . . 67 W CB . 17244 1 580 . 1 1 67 67 TRP N N 15 124.059 0.041 . 1 . . . . 67 W N . 17244 1 581 . 1 1 67 67 TRP NE1 N 15 129.82 0.059 . 1 . . . . 67 W NE1 . 17244 1 582 . 1 1 68 68 LEU H H 1 6.675 0.006 . 1 . . . . 68 L HN . 17244 1 583 . 1 1 68 68 LEU HA H 1 5.141 0.003 . 1 . . . . 68 L HA . 17244 1 584 . 1 1 68 68 LEU HB2 H 1 1.227 0.018 . 2 . . . . 68 L HB2 . 17244 1 585 . 1 1 68 68 LEU HB3 H 1 1.002 0.021 . 2 . . . . 68 L HB3 . 17244 1 586 . 1 1 68 68 LEU HD11 H 1 0.809 0.02 . 9 . . . . 68 L QD1 . 17244 1 587 . 1 1 68 68 LEU HD12 H 1 0.809 0.02 . 9 . . . . 68 L QD1 . 17244 1 588 . 1 1 68 68 LEU HD13 H 1 0.809 0.02 . 9 . . . . 68 L QD1 . 17244 1 589 . 1 1 68 68 LEU HD21 H 1 0.704 0.02 . 9 . . . . 68 L QD2 . 17244 1 590 . 1 1 68 68 LEU HD22 H 1 0.704 0.02 . 9 . . . . 68 L QD2 . 17244 1 591 . 1 1 68 68 LEU HD23 H 1 0.704 0.02 . 9 . . . . 68 L QD2 . 17244 1 592 . 1 1 68 68 LEU HG H 1 1.395 0.017 . 1 . . . . 68 L HG . 17244 1 593 . 1 1 68 68 LEU CA C 13 51.957 0.216 . 1 . . . . 68 L CA . 17244 1 594 . 1 1 68 68 LEU CB C 13 45.526 0.123 . 1 . . . . 68 L CB . 17244 1 595 . 1 1 68 68 LEU CD1 C 13 25.456 0.056 . 2 . . . . 68 L CD1 . 17244 1 596 . 1 1 68 68 LEU CD2 C 13 28.427 0.045 . 2 . . . . 68 L CD2 . 17244 1 597 . 1 1 68 68 LEU N N 15 125.701 0.228 . 1 . . . . 68 L N . 17244 1 598 . 1 1 69 69 CYS H H 1 8.704 0.009 . 1 . . . . 69 C HN . 17244 1 599 . 1 1 69 69 CYS HA H 1 3.845 0.005 . 1 . . . . 69 C HA . 17244 1 600 . 1 1 69 69 CYS HB2 H 1 3.347 0.008 . 2 . . . . 69 C HB2 . 17244 1 601 . 1 1 69 69 CYS HB3 H 1 2.29 0.013 . 2 . . . . 69 C HB3 . 17244 1 602 . 1 1 69 69 CYS CA C 13 57.633 0.073 . 1 . . . . 69 C CA . 17244 1 603 . 1 1 69 69 CYS CB C 13 30.702 0.102 . 1 . . . . 69 C CB . 17244 1 604 . 1 1 69 69 CYS N N 15 122.133 0.062 . 1 . . . . 69 C N . 17244 1 605 . 1 1 70 70 ARG H H 1 8.494 0.011 . 1 . . . . 70 R HN . 17244 1 606 . 1 1 70 70 ARG HA H 1 3.851 0.005 . 1 . . . . 70 R HA . 17244 1 607 . 1 1 70 70 ARG HB2 H 1 1.773 0.016 . 2 . . . . 70 R QB . 17244 1 608 . 1 1 70 70 ARG HB3 H 1 1.773 0.016 . 2 . . . . 70 R QB . 17244 1 609 . 1 1 70 70 ARG HD2 H 1 3.208 0.006 . 2 . . . . 70 R HD2 . 17244 1 610 . 1 1 70 70 ARG HD3 H 1 3.021 0.006 . 2 . . . . 70 R HD3 . 17244 1 611 . 1 1 70 70 ARG HG2 H 1 1.796 0.01 . 2 . . . . 70 R QG . 17244 1 612 . 1 1 70 70 ARG HG3 H 1 1.796 0.01 . 2 . . . . 70 R QG . 17244 1 613 . 1 1 70 70 ARG CA C 13 60.077 0.097 . 1 . . . . 70 R CA . 17244 1 614 . 1 1 70 70 ARG CB C 13 30.491 0.016 . 1 . . . . 70 R CB . 17244 1 615 . 1 1 70 70 ARG CD C 13 43.446 0.01 . 1 . . . . 70 R CD . 17244 1 616 . 1 1 70 70 ARG CG C 13 30.098 0.039 . 1 . . . . 70 R CG . 17244 1 617 . 1 1 70 70 ARG N N 15 115.453 0.036 . 1 . . . . 70 R N . 17244 1 618 . 1 1 71 71 HIS H H 1 7.947 0.013 . 1 . . . . 71 H HN . 17244 1 619 . 1 1 71 71 HIS HA H 1 4.37 0.003 . 1 . . . . 71 H HA . 17244 1 620 . 1 1 71 71 HIS HB2 H 1 3.306 0.007 . 2 . . . . 71 H QB . 17244 1 621 . 1 1 71 71 HIS HB3 H 1 3.306 0.007 . 2 . . . . 71 H QB . 17244 1 622 . 1 1 71 71 HIS CA C 13 59.549 0.152 . 1 . . . . 71 H CA . 17244 1 623 . 1 1 71 71 HIS CB C 13 29.93 0.121 . 1 . . . . 71 H CB . 17244 1 624 . 1 1 71 71 HIS N N 15 118.765 0.085 . 1 . . . . 71 H N . 17244 1 625 . 1 1 72 72 CYS H H 1 8.732 0.01 . 1 . . . . 72 C HN . 17244 1 626 . 1 1 72 72 CYS HA H 1 3.767 0.005 . 1 . . . . 72 C HA . 17244 1 627 . 1 1 72 72 CYS HB2 H 1 3.005 0.009 . 2 . . . . 72 C HB2 . 17244 1 628 . 1 1 72 72 CYS HB3 H 1 2.603 0.012 . 2 . . . . 72 C HB3 . 17244 1 629 . 1 1 72 72 CYS CA C 13 65.113 0.071 . 1 . . . . 72 C CA . 17244 1 630 . 1 1 72 72 CYS CB C 13 29.289 0.068 . 1 . . . . 72 C CB . 17244 1 631 . 1 1 72 72 CYS N N 15 126.541 0.158 . 1 . . . . 72 C N . 17244 1 632 . 1 1 73 73 LEU H H 1 8.309 0.011 . 1 . . . . 73 L HN . 17244 1 633 . 1 1 73 73 LEU HA H 1 3.833 0.006 . 1 . . . . 73 L HA . 17244 1 634 . 1 1 73 73 LEU HB2 H 1 1.554 0.016 . 2 . . . . 73 L HB2 . 17244 1 635 . 1 1 73 73 LEU HB3 H 1 1.421 0.016 . 2 . . . . 73 L HB3 . 17244 1 636 . 1 1 73 73 LEU HD11 H 1 0.758 0.013 . 9 . . . . 73 L QQD . 17244 1 637 . 1 1 73 73 LEU HD12 H 1 0.758 0.013 . 9 . . . . 73 L QQD . 17244 1 638 . 1 1 73 73 LEU HD13 H 1 0.758 0.013 . 9 . . . . 73 L QQD . 17244 1 639 . 1 1 73 73 LEU HD21 H 1 0.758 0.013 . 9 . . . . 73 L QQD . 17244 1 640 . 1 1 73 73 LEU HD22 H 1 0.758 0.013 . 9 . . . . 73 L QQD . 17244 1 641 . 1 1 73 73 LEU HD23 H 1 0.758 0.013 . 9 . . . . 73 L QQD . 17244 1 642 . 1 1 73 73 LEU HG H 1 1.448 0.011 . 1 . . . . 73 L HG . 17244 1 643 . 1 1 73 73 LEU CA C 13 57.622 0.102 . 1 . . . . 73 L CA . 17244 1 644 . 1 1 73 73 LEU CB C 13 42.193 0.163 . 1 . . . . 73 L CB . 17244 1 645 . 1 1 73 73 LEU CD1 C 13 24.698 0.06 . 2 . . . . 73 L CD1 . 17244 1 646 . 1 1 73 73 LEU N N 15 119.954 0.01 . 1 . . . . 73 L N . 17244 1 647 . 1 1 74 74 GLN H H 1 7.447 0.006 . 1 . . . . 74 Q HN . 17244 1 648 . 1 1 74 74 GLN HA H 1 4.103 0.004 . 1 . . . . 74 Q HA . 17244 1 649 . 1 1 74 74 GLN HB2 H 1 2.074 0.012 . 2 . . . . 74 Q QB . 17244 1 650 . 1 1 74 74 GLN HB3 H 1 2.074 0.012 . 2 . . . . 74 Q QB . 17244 1 651 . 1 1 74 74 GLN HE21 H 1 6.849 0.007 . 2 . . . . 74 Q HE21 . 17244 1 652 . 1 1 74 74 GLN HE22 H 1 7.558 0.006 . 2 . . . . 74 Q HE22 . 17244 1 653 . 1 1 74 74 GLN HG2 H 1 2.404 0.009 . 2 . . . . 74 Q QG . 17244 1 654 . 1 1 74 74 GLN HG3 H 1 2.404 0.009 . 2 . . . . 74 Q QG . 17244 1 655 . 1 1 74 74 GLN CA C 13 57.383 0.105 . 1 . . . . 74 Q CA . 17244 1 656 . 1 1 74 74 GLN CB C 13 28.582 0.088 . 1 . . . . 74 Q CB . 17244 1 657 . 1 1 74 74 GLN CG C 13 34.096 0.024 . 1 . . . . 74 Q CG . 17244 1 658 . 1 1 74 74 GLN N N 15 116.793 0.09 . 1 . . . . 74 Q N . 17244 1 659 . 1 1 74 74 GLN NE2 N 15 113.234 0.019 . 1 . . . . 74 Q NE2 . 17244 1 660 . 1 1 75 75 SER H H 1 7.717 0.005 . 1 . . . . 75 S HN . 17244 1 661 . 1 1 75 75 SER HA H 1 4.3 0.002 . 1 . . . . 75 S HA . 17244 1 662 . 1 1 75 75 SER HB2 H 1 3.802 0.005 . 2 . . . . 75 S QB . 17244 1 663 . 1 1 75 75 SER HB3 H 1 3.802 0.005 . 2 . . . . 75 S QB . 17244 1 664 . 1 1 75 75 SER CA C 13 59.598 0.156 . 1 . . . . 75 S CA . 17244 1 665 . 1 1 75 75 SER CB C 13 63.228 0.135 . 1 . . . . 75 S CB . 17244 1 666 . 1 1 75 75 SER N N 15 114.67 0.192 . 1 . . . . 75 S N . 17244 1 667 . 1 1 76 76 ARG H H 1 7.725 0.006 . 1 . . . . 76 R HN . 17244 1 668 . 1 1 76 76 ARG HA H 1 4.208 0.003 . 1 . . . . 76 R HA . 17244 1 669 . 1 1 76 76 ARG HB2 H 1 1.804 0.013 . 2 . . . . 76 R HB2 . 17244 1 670 . 1 1 76 76 ARG HB3 H 1 1.723 0.015 . 2 . . . . 76 R HB3 . 17244 1 671 . 1 1 76 76 ARG HD2 H 1 3.077 0.005 . 2 . . . . 76 R QD . 17244 1 672 . 1 1 76 76 ARG HD3 H 1 3.077 0.005 . 2 . . . . 76 R QD . 17244 1 673 . 1 1 76 76 ARG HG2 H 1 1.617 0.01 . 2 . . . . 76 R QG . 17244 1 674 . 1 1 76 76 ARG HG3 H 1 1.617 0.01 . 2 . . . . 76 R QG . 17244 1 675 . 1 1 76 76 ARG CA C 13 56.311 0.084 . 1 . . . . 76 R CA . 17244 1 676 . 1 1 76 76 ARG CB C 13 30.537 0.099 . 1 . . . . 76 R CB . 17244 1 677 . 1 1 76 76 ARG CD C 13 43.388 0.01 . 1 . . . . 76 R CD . 17244 1 678 . 1 1 76 76 ARG CG C 13 26.832 0.052 . 1 . . . . 76 R CG . 17244 1 679 . 1 1 76 76 ARG N N 15 121.383 0.155 . 1 . . . . 76 R N . 17244 1 680 . 1 1 77 77 ALA H H 1 7.872 0.003 . 1 . . . . 77 A HN . 17244 1 681 . 1 1 77 77 ALA HA H 1 4.324 0.003 . 1 . . . . 77 A HA . 17244 1 682 . 1 1 77 77 ALA HB1 H 1 1.358 0.015 . 9 . . . . 77 A QB . 17244 1 683 . 1 1 77 77 ALA HB2 H 1 1.358 0.015 . 9 . . . . 77 A QB . 17244 1 684 . 1 1 77 77 ALA HB3 H 1 1.358 0.015 . 9 . . . . 77 A QB . 17244 1 685 . 1 1 77 77 ALA CA C 13 52.45 0.177 . 1 . . . . 77 A CA . 17244 1 686 . 1 1 77 77 ALA CB C 13 19.385 0.179 . 1 . . . . 77 A CB . 17244 1 687 . 1 1 77 77 ALA N N 15 123.404 0.089 . 1 . . . . 77 A N . 17244 1 688 . 1 1 78 78 ARG H H 1 8.384 0.003 . 1 . . . . 78 R HN . 17244 1 689 . 1 1 78 78 ARG CA C 13 56.031 0.000 . 1 . . . . 78 R CA . 17244 1 690 . 1 1 78 78 ARG CB C 13 30.581 0.000 . 1 . . . . 78 R CB . 17244 1 691 . 1 1 78 78 ARG N N 15 120.609 0.146 . 1 . . . . 78 R N . 17244 1 692 . 1 1 79 79 PRO HA H 1 4.342 0.002 . 1 . . . . 79 P HA . 17244 1 693 . 1 1 79 79 PRO HB2 H 1 2.243 0.011 . 2 . . . . 79 P HB2 . 17244 1 694 . 1 1 79 79 PRO HB3 H 1 1.823 0.014 . 2 . . . . 79 P HB3 . 17244 1 695 . 1 1 79 79 PRO HD2 H 1 3.742 0.003 . 2 . . . . 79 P HD2 . 17244 1 696 . 1 1 79 79 PRO HD3 H 1 3.562 0.004 . 2 . . . . 79 P HD3 . 17244 1 697 . 1 1 79 79 PRO HG2 H 1 1.938 0.009 . 2 . . . . 79 P QG . 17244 1 698 . 1 1 79 79 PRO HG3 H 1 1.938 0.009 . 2 . . . . 79 P QG . 17244 1 699 . 1 1 79 79 PRO CA C 13 63.014 0.115 . 1 . . . . 79 P CA . 17244 1 700 . 1 1 79 79 PRO CB C 13 32.115 0.118 . 1 . . . . 79 P CB . 17244 1 701 . 1 1 79 79 PRO CD C 13 50.402 0.036 . 1 . . . . 79 P CD . 17244 1 702 . 1 1 79 79 PRO CG C 13 27.668 0.048 . 1 . . . . 79 P CG . 17244 1 703 . 1 1 80 80 ALA H H 1 8.412 0.002 . 1 . . . . 80 A HN . 17244 1 704 . 1 1 80 80 ALA HA H 1 4.221 0.003 . 1 . . . . 80 A HA . 17244 1 705 . 1 1 80 80 ALA HB1 H 1 1.323 0.015 . 9 . . . . 80 A QB . 17244 1 706 . 1 1 80 80 ALA HB2 H 1 1.323 0.015 . 9 . . . . 80 A QB . 17244 1 707 . 1 1 80 80 ALA HB3 H 1 1.323 0.015 . 9 . . . . 80 A QB . 17244 1 708 . 1 1 80 80 ALA CA C 13 52.351 0.117 . 1 . . . . 80 A CA . 17244 1 709 . 1 1 80 80 ALA CB C 13 19.112 0.205 . 1 . . . . 80 A CB . 17244 1 710 . 1 1 80 80 ALA N N 15 124.231 0.232 . 1 . . . . 80 A N . 17244 1 711 . 1 1 81 81 LEU H H 1 8.209 0.002 . 1 . . . . 81 L HN . 17244 1 712 . 1 1 81 81 LEU CA C 13 55.065 0.000 . 1 . . . . 81 L CA . 17244 1 713 . 1 1 81 81 LEU CB C 13 42.385 0.000 . 1 . . . . 81 L CB . 17244 1 714 . 1 1 81 81 LEU N N 15 121.136 0.172 . 1 . . . . 81 L N . 17244 1 stop_ save_