################################### # 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 18236 _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 '13C and 15N shifts not corrected for 2H-effects' _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' . . . 18236 1 2 '2D 1H-15N HSQC' . . . 18236 1 3 '2D 1H-13C HSQC aliphatic' . . . 18236 1 4 '3D HNCACB' . . . 18236 1 5 '3D HN(CO)CACB' . . . 18236 1 6 '3D CC(CO)NH' . . . 18236 1 7 '3D HNCO' . . . 18236 1 8 '3D 1H-15N NOESY' . . . 18236 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 2 2 PRO C C 13 177.208 0.000 0.5 1 . . . . 2 PRO C . 18236 1 2 . 1 1 2 2 PRO CA C 13 61.841 0.015 0.5 1 . . . . 2 PRO CA . 18236 1 3 . 1 1 2 2 PRO CB C 13 31.108 0.083 0.5 1 . . . . 2 PRO CB . 18236 1 4 . 1 1 2 2 PRO CG C 13 26.688 0.000 0.5 1 . . . . 2 PRO CG . 18236 1 5 . 1 1 2 2 PRO CD C 13 49.414 0.000 0.5 1 . . . . 2 PRO CD . 18236 1 6 . 1 1 3 3 ALA H H 1 8.905 0.004 0.1 1 . . . . 3 ALA H . 18236 1 7 . 1 1 3 3 ALA C C 13 175.185 0.000 0.5 1 . . . . 3 ALA C . 18236 1 8 . 1 1 3 3 ALA CA C 13 54.064 0.029 0.5 1 . . . . 3 ALA CA . 18236 1 9 . 1 1 3 3 ALA CB C 13 17.732 0.022 0.5 1 . . . . 3 ALA CB . 18236 1 10 . 1 1 3 3 ALA N N 15 126.524 0.019 0.5 1 . . . . 3 ALA N . 18236 1 11 . 1 1 4 4 ALA H H 1 7.190 0.002 0.1 1 . . . . 4 ALA H . 18236 1 12 . 1 1 4 4 ALA C C 13 175.352 0.000 0.5 1 . . . . 4 ALA C . 18236 1 13 . 1 1 4 4 ALA CA C 13 51.170 0.036 0.5 1 . . . . 4 ALA CA . 18236 1 14 . 1 1 4 4 ALA CB C 13 19.991 0.010 0.5 1 . . . . 4 ALA CB . 18236 1 15 . 1 1 4 4 ALA N N 15 114.228 0.020 0.5 1 . . . . 4 ALA N . 18236 1 16 . 1 1 5 5 VAL H H 1 7.501 0.002 0.1 1 . . . . 5 VAL H . 18236 1 17 . 1 1 5 5 VAL C C 13 173.152 0.000 0.5 1 . . . . 5 VAL C . 18236 1 18 . 1 1 5 5 VAL CA C 13 60.786 0.050 0.5 1 . . . . 5 VAL CA . 18236 1 19 . 1 1 5 5 VAL CB C 13 35.255 0.044 0.5 1 . . . . 5 VAL CB . 18236 1 20 . 1 1 5 5 VAL CG1 C 13 21.273 0.000 0.5 2 . . . . 5 VAL CG1 . 18236 1 21 . 1 1 5 5 VAL CG2 C 13 19.803 0.000 0.5 2 . . . . 5 VAL CG2 . 18236 1 22 . 1 1 5 5 VAL N N 15 119.499 0.020 0.5 1 . . . . 5 VAL N . 18236 1 23 . 1 1 6 6 ASP H H 1 8.209 0.002 0.1 1 . . . . 6 ASP H . 18236 1 24 . 1 1 6 6 ASP C C 13 177.251 0.000 0.5 1 . . . . 6 ASP C . 18236 1 25 . 1 1 6 6 ASP CA C 13 52.843 0.022 0.5 1 . . . . 6 ASP CA . 18236 1 26 . 1 1 6 6 ASP CB C 13 40.090 0.078 0.5 1 . . . . 6 ASP CB . 18236 1 27 . 1 1 6 6 ASP N N 15 122.983 0.022 0.5 1 . . . . 6 ASP N . 18236 1 28 . 1 1 7 7 TRP H H 1 8.679 0.003 0.1 1 . . . . 7 TRP H . 18236 1 29 . 1 1 7 7 TRP HE1 H 1 9.822 0.002 0.1 9 . . . . 7 TRP HE1 . 18236 1 30 . 1 1 7 7 TRP C C 13 178.425 0.000 0.5 1 . . . . 7 TRP C . 18236 1 31 . 1 1 7 7 TRP CA C 13 60.499 0.033 0.5 1 . . . . 7 TRP CA . 18236 1 32 . 1 1 7 7 TRP CB C 13 28.230 0.030 0.5 1 . . . . 7 TRP CB . 18236 1 33 . 1 1 7 7 TRP N N 15 123.594 0.043 0.5 1 . . . . 7 TRP N . 18236 1 34 . 1 1 7 7 TRP NE1 N 15 126.001 0.008 0.5 9 . . . . 7 TRP NE1 . 18236 1 35 . 1 1 8 8 ARG H H 1 8.617 0.002 0.1 1 . . . . 8 ARG H . 18236 1 36 . 1 1 8 8 ARG HE H 1 8.213 0.005 0.1 1 . . . . 8 ARG HE . 18236 1 37 . 1 1 8 8 ARG C C 13 180.468 0.000 0.5 1 . . . . 8 ARG C . 18236 1 38 . 1 1 8 8 ARG CA C 13 58.113 0.015 0.5 1 . . . . 8 ARG CA . 18236 1 39 . 1 1 8 8 ARG CB C 13 28.646 0.210 0.5 1 . . . . 8 ARG CB . 18236 1 40 . 1 1 8 8 ARG CG C 13 24.302 0.071 0.5 1 . . . . 8 ARG CG . 18236 1 41 . 1 1 8 8 ARG CD C 13 42.258 0.021 0.5 1 . . . . 8 ARG CD . 18236 1 42 . 1 1 8 8 ARG CZ C 13 159.157 0.000 0.5 1 . . . . 8 ARG CZ . 18236 1 43 . 1 1 8 8 ARG N N 15 118.833 0.036 0.5 1 . . . . 8 ARG N . 18236 1 44 . 1 1 8 8 ARG NE N 15 81.660 0.081 0.5 1 . . . . 8 ARG NE . 18236 1 45 . 1 1 9 9 ALA H H 1 7.204 0.003 0.1 1 . . . . 9 ALA H . 18236 1 46 . 1 1 9 9 ALA C C 13 178.087 0.000 0.5 1 . . . . 9 ALA C . 18236 1 47 . 1 1 9 9 ALA CA C 13 53.246 0.106 0.5 1 . . . . 9 ALA CA . 18236 1 48 . 1 1 9 9 ALA CB C 13 17.164 0.023 0.5 1 . . . . 9 ALA CB . 18236 1 49 . 1 1 9 9 ALA N N 15 120.248 0.039 0.5 1 . . . . 9 ALA N . 18236 1 50 . 1 1 10 10 ARG H H 1 6.879 0.001 0.1 1 . . . . 10 ARG H . 18236 1 51 . 1 1 10 10 ARG HE H 1 7.231 0.001 0.1 1 . . . . 10 ARG HE . 18236 1 52 . 1 1 10 10 ARG C C 13 176.173 0.000 0.5 1 . . . . 10 ARG C . 18236 1 53 . 1 1 10 10 ARG CA C 13 54.010 0.029 0.5 1 . . . . 10 ARG CA . 18236 1 54 . 1 1 10 10 ARG CB C 13 29.980 0.017 0.5 1 . . . . 10 ARG CB . 18236 1 55 . 1 1 10 10 ARG CG C 13 25.403 0.047 0.5 1 . . . . 10 ARG CG . 18236 1 56 . 1 1 10 10 ARG CD C 13 41.746 0.016 0.5 1 . . . . 10 ARG CD . 18236 1 57 . 1 1 10 10 ARG CZ C 13 159.268 0.000 0.5 1 . . . . 10 ARG CZ . 18236 1 58 . 1 1 10 10 ARG N N 15 114.180 0.018 0.5 1 . . . . 10 ARG N . 18236 1 59 . 1 1 10 10 ARG NE N 15 82.919 0.038 0.5 1 . . . . 10 ARG NE . 18236 1 60 . 1 1 11 11 GLY H H 1 7.601 0.001 0.1 1 . . . . 11 GLY H . 18236 1 61 . 1 1 11 11 GLY C C 13 172.938 0.000 0.5 1 . . . . 11 GLY C . 18236 1 62 . 1 1 11 11 GLY CA C 13 45.347 0.007 0.5 1 . . . . 11 GLY CA . 18236 1 63 . 1 1 11 11 GLY N N 15 106.625 0.022 0.5 1 . . . . 11 GLY N . 18236 1 64 . 1 1 12 12 ALA H H 1 6.678 0.002 0.1 1 . . . . 12 ALA H . 18236 1 65 . 1 1 12 12 ALA C C 13 173.943 0.000 0.5 1 . . . . 12 ALA C . 18236 1 66 . 1 1 12 12 ALA CA C 13 51.255 0.121 0.5 1 . . . . 12 ALA CA . 18236 1 67 . 1 1 12 12 ALA CB C 13 21.163 0.026 0.5 1 . . . . 12 ALA CB . 18236 1 68 . 1 1 12 12 ALA N N 15 113.453 0.018 0.5 1 . . . . 12 ALA N . 18236 1 69 . 1 1 13 13 VAL H H 1 7.644 0.002 0.1 1 . . . . 13 VAL H . 18236 1 70 . 1 1 13 13 VAL C C 13 176.348 0.000 0.5 1 . . . . 13 VAL C . 18236 1 71 . 1 1 13 13 VAL CA C 13 60.867 0.044 0.5 1 . . . . 13 VAL CA . 18236 1 72 . 1 1 13 13 VAL CB C 13 33.566 0.005 0.5 1 . . . . 13 VAL CB . 18236 1 73 . 1 1 13 13 VAL CG1 C 13 21.098 0.000 0.5 2 . . . . 13 VAL CG1 . 18236 1 74 . 1 1 13 13 VAL CG2 C 13 20.221 0.000 0.5 2 . . . . 13 VAL CG2 . 18236 1 75 . 1 1 13 13 VAL N N 15 114.539 0.032 0.5 1 . . . . 13 VAL N . 18236 1 76 . 1 1 14 14 THR H H 1 8.140 0.004 0.1 1 . . . . 14 THR H . 18236 1 77 . 1 1 14 14 THR C C 13 175.457 0.000 0.5 1 . . . . 14 THR C . 18236 1 78 . 1 1 14 14 THR CA C 13 61.510 0.038 0.5 1 . . . . 14 THR CA . 18236 1 79 . 1 1 14 14 THR CB C 13 70.478 0.009 0.5 1 . . . . 14 THR CB . 18236 1 80 . 1 1 14 14 THR CG2 C 13 20.656 0.000 0.5 1 . . . . 14 THR CG2 . 18236 1 81 . 1 1 14 14 THR N N 15 117.534 0.026 0.5 1 . . . . 14 THR N . 18236 1 82 . 1 1 15 15 ALA H H 1 8.429 0.002 0.1 1 . . . . 15 ALA H . 18236 1 83 . 1 1 15 15 ALA C C 13 177.761 0.000 0.5 1 . . . . 15 ALA C . 18236 1 84 . 1 1 15 15 ALA CA C 13 52.223 0.026 0.5 1 . . . . 15 ALA CA . 18236 1 85 . 1 1 15 15 ALA CB C 13 18.296 0.014 0.5 1 . . . . 15 ALA CB . 18236 1 86 . 1 1 15 15 ALA N N 15 121.888 0.030 0.5 1 . . . . 15 ALA N . 18236 1 87 . 1 1 16 16 VAL H H 1 8.349 0.001 0.1 1 . . . . 16 VAL H . 18236 1 88 . 1 1 16 16 VAL C C 13 176.023 0.000 0.5 1 . . . . 16 VAL C . 18236 1 89 . 1 1 16 16 VAL CA C 13 63.456 0.015 0.5 1 . . . . 16 VAL CA . 18236 1 90 . 1 1 16 16 VAL CB C 13 31.150 0.010 0.5 1 . . . . 16 VAL CB . 18236 1 91 . 1 1 16 16 VAL CG1 C 13 20.651 0.000 0.5 2 . . . . 16 VAL CG1 . 18236 1 92 . 1 1 16 16 VAL CG2 C 13 20.651 0.000 0.5 2 . . . . 16 VAL CG2 . 18236 1 93 . 1 1 16 16 VAL N N 15 121.790 0.034 0.5 1 . . . . 16 VAL N . 18236 1 94 . 1 1 17 17 LYS H H 1 9.430 0.005 0.1 1 . . . . 17 LYS H . 18236 1 95 . 1 1 17 17 LYS C C 13 173.497 0.000 0.5 1 . . . . 17 LYS C . 18236 1 96 . 1 1 17 17 LYS CA C 13 55.140 0.016 0.5 1 . . . . 17 LYS CA . 18236 1 97 . 1 1 17 17 LYS CB C 13 34.729 0.007 0.5 1 . . . . 17 LYS CB . 18236 1 98 . 1 1 17 17 LYS CG C 13 25.274 0.000 0.5 4 . . . . 17 LYS CG . 18236 1 99 . 1 1 17 17 LYS CD C 13 25.274 0.000 0.5 4 . . . . 17 LYS CD . 18236 1 100 . 1 1 17 17 LYS CE C 13 41.109 0.000 0.5 1 . . . . 17 LYS CE . 18236 1 101 . 1 1 17 17 LYS N N 15 130.547 0.036 0.5 1 . . . . 17 LYS N . 18236 1 102 . 1 1 18 18 ASP H H 1 7.124 0.003 0.1 1 . . . . 18 ASP H . 18236 1 103 . 1 1 18 18 ASP C C 13 176.034 0.000 0.5 1 . . . . 18 ASP C . 18236 1 104 . 1 1 18 18 ASP CA C 13 51.296 0.036 0.5 1 . . . . 18 ASP CA . 18236 1 105 . 1 1 18 18 ASP CB C 13 42.923 0.159 0.5 1 . . . . 18 ASP CB . 18236 1 106 . 1 1 18 18 ASP N N 15 113.831 0.021 0.5 1 . . . . 18 ASP N . 18236 1 107 . 1 1 19 19 GLN H H 1 8.089 0.007 0.1 1 . . . . 19 GLN H . 18236 1 108 . 1 1 19 19 GLN C C 13 178.743 0.000 0.5 1 . . . . 19 GLN C . 18236 1 109 . 1 1 19 19 GLN CA C 13 55.779 0.011 0.5 1 . . . . 19 GLN CA . 18236 1 110 . 1 1 19 19 GLN CB C 13 29.437 0.015 0.5 1 . . . . 19 GLN CB . 18236 1 111 . 1 1 19 19 GLN CG C 13 32.919 0.000 0.5 1 . . . . 19 GLN CG . 18236 1 112 . 1 1 19 19 GLN N N 15 123.178 0.038 0.5 1 . . . . 19 GLN N . 18236 1 113 . 1 1 20 20 GLY H H 1 8.678 0.002 0.1 1 . . . . 20 GLY H . 18236 1 114 . 1 1 20 20 GLY C C 13 174.765 0.000 0.5 1 . . . . 20 GLY C . 18236 1 115 . 1 1 20 20 GLY CA C 13 45.841 0.009 0.5 1 . . . . 20 GLY CA . 18236 1 116 . 1 1 20 20 GLY N N 15 111.421 0.034 0.5 1 . . . . 20 GLY N . 18236 1 117 . 1 1 21 21 GLN H H 1 8.883 0.005 0.1 1 . . . . 21 GLN H . 18236 1 118 . 1 1 21 21 GLN HE21 H 1 7.514 0.003 0.1 2 . . . . 21 GLN HE21 . 18236 1 119 . 1 1 21 21 GLN HE22 H 1 6.732 0.004 0.1 2 . . . . 21 GLN HE22 . 18236 1 120 . 1 1 21 21 GLN C C 13 174.493 0.000 0.5 1 . . . . 21 GLN C . 18236 1 121 . 1 1 21 21 GLN CA C 13 54.648 0.023 0.5 1 . . . . 21 GLN CA . 18236 1 122 . 1 1 21 21 GLN CB C 13 27.128 0.015 0.5 1 . . . . 21 GLN CB . 18236 1 123 . 1 1 21 21 GLN CG C 13 33.410 0.072 0.5 1 . . . . 21 GLN CG . 18236 1 124 . 1 1 21 21 GLN CD C 13 180.391 0.004 0.5 1 . . . . 21 GLN CD . 18236 1 125 . 1 1 21 21 GLN N N 15 123.160 0.037 0.5 1 . . . . 21 GLN N . 18236 1 126 . 1 1 21 21 GLN NE2 N 15 112.236 0.234 0.5 1 . . . . 21 GLN NE2 . 18236 1 127 . 1 1 22 22 CYS H H 1 7.074 0.004 0.1 1 . . . . 22 CYS H . 18236 1 128 . 1 1 22 22 CYS C C 13 174.926 0.000 0.5 1 . . . . 22 CYS C . 18236 1 129 . 1 1 22 22 CYS CA C 13 54.680 0.009 0.5 1 . . . . 22 CYS CA . 18236 1 130 . 1 1 22 22 CYS CB C 13 45.545 0.074 0.5 1 . . . . 22 CYS CB . 18236 1 131 . 1 1 22 22 CYS N N 15 117.245 0.015 0.5 1 . . . . 22 CYS N . 18236 1 132 . 1 1 23 23 GLY H H 1 8.620 0.002 0.1 1 . . . . 23 GLY H . 18236 1 133 . 1 1 23 23 GLY C C 13 174.350 0.000 0.5 1 . . . . 23 GLY C . 18236 1 134 . 1 1 23 23 GLY CA C 13 47.866 0.039 0.5 1 . . . . 23 GLY CA . 18236 1 135 . 1 1 23 23 GLY N N 15 121.070 0.043 0.5 1 . . . . 23 GLY N . 18236 1 136 . 1 1 24 24 SER H H 1 8.692 0.006 0.1 1 . . . . 24 SER H . 18236 1 137 . 1 1 24 24 SER C C 13 176.009 0.000 0.5 1 . . . . 24 SER C . 18236 1 138 . 1 1 24 24 SER CA C 13 55.873 0.000 0.5 1 . . . . 24 SER CA . 18236 1 139 . 1 1 24 24 SER CB C 13 62.124 0.000 0.5 1 . . . . 24 SER CB . 18236 1 140 . 1 1 24 24 SER N N 15 111.931 0.049 0.5 1 . . . . 24 SER N . 18236 1 141 . 1 1 25 25 CYS H H 1 7.135 0.002 0.1 1 . . . . 25 CYS H . 18236 1 142 . 1 1 25 25 CYS C C 13 172.428 0.000 0.5 1 . . . . 25 CYS C . 18236 1 143 . 1 1 25 25 CYS CA C 13 59.260 0.024 0.5 1 . . . . 25 CYS CA . 18236 1 144 . 1 1 25 25 CYS CB C 13 35.420 0.028 0.5 1 . . . . 25 CYS CB . 18236 1 145 . 1 1 25 25 CYS N N 15 120.393 0.028 0.5 1 . . . . 25 CYS N . 18236 1 146 . 1 1 26 26 TRP H H 1 7.111 0.002 0.1 1 . . . . 26 TRP H . 18236 1 147 . 1 1 26 26 TRP C C 13 174.589 0.000 0.5 1 . . . . 26 TRP C . 18236 1 148 . 1 1 26 26 TRP CA C 13 56.461 0.073 0.5 1 . . . . 26 TRP CA . 18236 1 149 . 1 1 26 26 TRP CB C 13 27.117 0.015 0.5 1 . . . . 26 TRP CB . 18236 1 150 . 1 1 26 26 TRP N N 15 120.810 0.024 0.5 1 . . . . 26 TRP N . 18236 1 151 . 1 1 27 27 ALA H H 1 5.979 0.005 0.1 1 . . . . 27 ALA H . 18236 1 152 . 1 1 27 27 ALA CA C 13 53.052 0.000 0.5 1 . . . . 27 ALA CA . 18236 1 153 . 1 1 27 27 ALA CB C 13 16.402 0.000 0.5 1 . . . . 27 ALA CB . 18236 1 154 . 1 1 27 27 ALA N N 15 124.906 0.028 0.5 1 . . . . 27 ALA N . 18236 1 155 . 1 1 36 36 CYS H H 1 7.910 0.000 0.1 1 . . . . 36 CYS H . 18236 1 156 . 1 1 36 36 CYS N N 15 116.900 0.000 0.5 1 . . . . 36 CYS N . 18236 1 157 . 1 1 40 40 LEU C C 13 177.320 0.000 0.5 1 . . . . 40 LEU C . 18236 1 158 . 1 1 40 40 LEU CA C 13 56.277 0.008 0.5 1 . . . . 40 LEU CA . 18236 1 159 . 1 1 40 40 LEU CB C 13 39.819 0.032 0.5 1 . . . . 40 LEU CB . 18236 1 160 . 1 1 41 41 ALA H H 1 7.344 0.003 0.1 1 . . . . 41 ALA H . 18236 1 161 . 1 1 41 41 ALA C C 13 175.892 0.000 0.5 1 . . . . 41 ALA C . 18236 1 162 . 1 1 41 41 ALA CA C 13 51.510 0.150 0.5 1 . . . . 41 ALA CA . 18236 1 163 . 1 1 41 41 ALA CB C 13 17.757 0.037 0.5 1 . . . . 41 ALA CB . 18236 1 164 . 1 1 41 41 ALA N N 15 120.953 0.060 0.5 1 . . . . 41 ALA N . 18236 1 165 . 1 1 42 42 GLY H H 1 7.706 0.003 0.1 1 . . . . 42 GLY H . 18236 1 166 . 1 1 42 42 GLY C C 13 172.908 0.000 0.5 1 . . . . 42 GLY C . 18236 1 167 . 1 1 42 42 GLY CA C 13 44.698 0.024 0.5 1 . . . . 42 GLY CA . 18236 1 168 . 1 1 42 42 GLY N N 15 106.205 0.024 0.5 1 . . . . 42 GLY N . 18236 1 169 . 1 1 43 43 HIS H H 1 6.843 0.002 0.1 1 . . . . 43 HIS H . 18236 1 170 . 1 1 43 43 HIS CA C 13 52.179 0.000 0.5 1 . . . . 43 HIS CA . 18236 1 171 . 1 1 43 43 HIS CB C 13 27.644 0.000 0.5 1 . . . . 43 HIS CB . 18236 1 172 . 1 1 43 43 HIS N N 15 117.955 0.013 0.5 1 . . . . 43 HIS N . 18236 1 173 . 1 1 44 44 PRO C C 13 177.179 0.000 0.5 1 . . . . 44 PRO C . 18236 1 174 . 1 1 44 44 PRO CA C 13 62.552 0.062 0.5 1 . . . . 44 PRO CA . 18236 1 175 . 1 1 44 44 PRO CB C 13 31.088 0.047 0.5 1 . . . . 44 PRO CB . 18236 1 176 . 1 1 45 45 LEU H H 1 9.084 0.001 0.1 1 . . . . 45 LEU H . 18236 1 177 . 1 1 45 45 LEU C C 13 176.804 0.000 0.5 1 . . . . 45 LEU C . 18236 1 178 . 1 1 45 45 LEU CA C 13 56.958 0.008 0.5 1 . . . . 45 LEU CA . 18236 1 179 . 1 1 45 45 LEU CB C 13 39.985 0.004 0.5 1 . . . . 45 LEU CB . 18236 1 180 . 1 1 45 45 LEU N N 15 124.873 0.018 0.5 1 . . . . 45 LEU N . 18236 1 181 . 1 1 46 46 THR H H 1 9.453 0.002 0.1 1 . . . . 46 THR H . 18236 1 182 . 1 1 46 46 THR C C 13 172.542 0.000 0.5 1 . . . . 46 THR C . 18236 1 183 . 1 1 46 46 THR CA C 13 61.501 0.046 0.5 1 . . . . 46 THR CA . 18236 1 184 . 1 1 46 46 THR CB C 13 71.666 0.004 0.5 1 . . . . 46 THR CB . 18236 1 185 . 1 1 46 46 THR CG2 C 13 19.067 0.000 0.5 1 . . . . 46 THR CG2 . 18236 1 186 . 1 1 46 46 THR N N 15 127.437 0.012 0.5 1 . . . . 46 THR N . 18236 1 187 . 1 1 47 47 ASN H H 1 9.026 0.002 0.1 1 . . . . 47 ASN H . 18236 1 188 . 1 1 47 47 ASN HD21 H 1 7.735 0.005 0.1 2 . . . . 47 ASN HD21 . 18236 1 189 . 1 1 47 47 ASN HD22 H 1 6.949 0.004 0.1 2 . . . . 47 ASN HD22 . 18236 1 190 . 1 1 47 47 ASN C C 13 176.226 0.000 0.5 1 . . . . 47 ASN C . 18236 1 191 . 1 1 47 47 ASN CA C 13 52.961 0.092 0.5 1 . . . . 47 ASN CA . 18236 1 192 . 1 1 47 47 ASN CB C 13 37.650 0.030 0.5 1 . . . . 47 ASN CB . 18236 1 193 . 1 1 47 47 ASN CG C 13 176.334 0.006 0.5 1 . . . . 47 ASN CG . 18236 1 194 . 1 1 47 47 ASN N N 15 125.526 0.025 0.5 1 . . . . 47 ASN N . 18236 1 195 . 1 1 47 47 ASN ND2 N 15 112.840 0.216 0.5 1 . . . . 47 ASN ND2 . 18236 1 196 . 1 1 48 48 LEU H H 1 10.976 0.010 0.1 1 . . . . 48 LEU H . 18236 1 197 . 1 1 48 48 LEU CA C 13 53.951 0.000 0.5 1 . . . . 48 LEU CA . 18236 1 198 . 1 1 48 48 LEU CB C 13 42.170 0.000 0.5 1 . . . . 48 LEU CB . 18236 1 199 . 1 1 48 48 LEU N N 15 131.336 0.050 0.5 1 . . . . 48 LEU N . 18236 1 200 . 1 1 49 49 SER C C 13 174.382 0.000 0.5 1 . . . . 49 SER C . 18236 1 201 . 1 1 49 49 SER CA C 13 57.026 0.030 0.5 1 . . . . 49 SER CA . 18236 1 202 . 1 1 49 49 SER CB C 13 62.819 0.016 0.5 1 . . . . 49 SER CB . 18236 1 203 . 1 1 50 50 GLU H H 1 8.096 0.012 0.1 1 . . . . 50 GLU H . 18236 1 204 . 1 1 50 50 GLU C C 13 180.292 0.000 0.5 1 . . . . 50 GLU C . 18236 1 205 . 1 1 50 50 GLU CA C 13 61.027 0.044 0.5 1 . . . . 50 GLU CA . 18236 1 206 . 1 1 50 50 GLU CB C 13 27.649 0.014 0.5 1 . . . . 50 GLU CB . 18236 1 207 . 1 1 50 50 GLU CG C 13 34.674 0.000 0.5 1 . . . . 50 GLU CG . 18236 1 208 . 1 1 50 50 GLU N N 15 126.003 0.042 0.5 1 . . . . 50 GLU N . 18236 1 209 . 1 1 51 51 GLN H H 1 9.439 0.007 0.1 1 . . . . 51 GLN H . 18236 1 210 . 1 1 51 51 GLN C C 13 175.792 0.000 0.5 1 . . . . 51 GLN C . 18236 1 211 . 1 1 51 51 GLN CA C 13 56.905 0.033 0.5 1 . . . . 51 GLN CA . 18236 1 212 . 1 1 51 51 GLN CB C 13 28.274 0.025 0.5 1 . . . . 51 GLN CB . 18236 1 213 . 1 1 51 51 GLN CG C 13 33.484 0.000 0.5 1 . . . . 51 GLN CG . 18236 1 214 . 1 1 51 51 GLN N N 15 121.200 0.018 0.5 1 . . . . 51 GLN N . 18236 1 215 . 1 1 52 52 MET H H 1 7.409 0.001 0.1 1 . . . . 52 MET H . 18236 1 216 . 1 1 52 52 MET HE1 H 1 2.264 0.000 0.1 1 . . . . 52 MET HE . 18236 1 217 . 1 1 52 52 MET HE2 H 1 2.264 0.000 0.1 1 . . . . 52 MET HE . 18236 1 218 . 1 1 52 52 MET HE3 H 1 2.264 0.000 0.1 1 . . . . 52 MET HE . 18236 1 219 . 1 1 52 52 MET C C 13 177.431 0.000 0.5 1 . . . . 52 MET C . 18236 1 220 . 1 1 52 52 MET CA C 13 58.223 0.048 0.5 1 . . . . 52 MET CA . 18236 1 221 . 1 1 52 52 MET CB C 13 31.747 0.010 0.5 1 . . . . 52 MET CB . 18236 1 222 . 1 1 52 52 MET CG C 13 30.506 0.000 0.5 1 . . . . 52 MET CG . 18236 1 223 . 1 1 52 52 MET CE C 13 18.465 0.000 0.5 1 . . . . 52 MET CE . 18236 1 224 . 1 1 52 52 MET N N 15 115.576 0.021 0.5 1 . . . . 52 MET N . 18236 1 225 . 1 1 53 53 LEU H H 1 6.350 0.004 0.1 1 . . . . 53 LEU H . 18236 1 226 . 1 1 53 53 LEU C C 13 178.323 0.000 0.5 1 . . . . 53 LEU C . 18236 1 227 . 1 1 53 53 LEU CA C 13 55.729 0.025 0.5 1 . . . . 53 LEU CA . 18236 1 228 . 1 1 53 53 LEU CB C 13 41.213 0.039 0.5 1 . . . . 53 LEU CB . 18236 1 229 . 1 1 53 53 LEU CD1 C 13 25.281 0.000 0.5 2 . . . . 53 LEU CD1 . 18236 1 230 . 1 1 53 53 LEU CD2 C 13 25.281 0.000 0.5 2 . . . . 53 LEU CD2 . 18236 1 231 . 1 1 53 53 LEU N N 15 114.332 0.058 0.5 1 . . . . 53 LEU N . 18236 1 232 . 1 1 54 54 VAL H H 1 7.835 0.007 0.1 1 . . . . 54 VAL H . 18236 1 233 . 1 1 54 54 VAL C C 13 177.768 0.000 0.5 1 . . . . 54 VAL C . 18236 1 234 . 1 1 54 54 VAL CA C 13 66.901 0.033 0.5 1 . . . . 54 VAL CA . 18236 1 235 . 1 1 54 54 VAL CB C 13 30.634 0.016 0.5 1 . . . . 54 VAL CB . 18236 1 236 . 1 1 54 54 VAL CG1 C 13 22.633 0.000 0.5 2 . . . . 54 VAL CG1 . 18236 1 237 . 1 1 54 54 VAL CG2 C 13 20.685 0.000 0.5 2 . . . . 54 VAL CG2 . 18236 1 238 . 1 1 54 54 VAL N N 15 118.733 0.066 0.5 1 . . . . 54 VAL N . 18236 1 239 . 1 1 55 55 SER H H 1 8.693 0.003 0.1 1 . . . . 55 SER H . 18236 1 240 . 1 1 55 55 SER C C 13 175.265 0.000 0.5 1 . . . . 55 SER C . 18236 1 241 . 1 1 55 55 SER CA C 13 62.371 0.062 0.5 1 . . . . 55 SER CA . 18236 1 242 . 1 1 55 55 SER CB C 13 64.046 0.078 0.5 1 . . . . 55 SER CB . 18236 1 243 . 1 1 55 55 SER N N 15 109.578 0.044 0.5 1 . . . . 55 SER N . 18236 1 244 . 1 1 56 56 CYS H H 1 7.305 0.002 0.1 1 . . . . 56 CYS H . 18236 1 245 . 1 1 56 56 CYS C C 13 173.705 0.000 0.5 1 . . . . 56 CYS C . 18236 1 246 . 1 1 56 56 CYS CA C 13 55.869 0.018 0.5 1 . . . . 56 CYS CA . 18236 1 247 . 1 1 56 56 CYS CB C 13 45.560 0.073 0.5 1 . . . . 56 CYS CB . 18236 1 248 . 1 1 56 56 CYS N N 15 114.261 0.031 0.5 1 . . . . 56 CYS N . 18236 1 249 . 1 1 57 57 ASP H H 1 7.145 0.003 0.1 1 . . . . 57 ASP H . 18236 1 250 . 1 1 57 57 ASP C C 13 176.361 0.000 0.5 1 . . . . 57 ASP C . 18236 1 251 . 1 1 57 57 ASP CA C 13 51.110 0.036 0.5 1 . . . . 57 ASP CA . 18236 1 252 . 1 1 57 57 ASP CB C 13 37.313 0.038 0.5 1 . . . . 57 ASP CB . 18236 1 253 . 1 1 57 57 ASP N N 15 116.093 0.026 0.5 1 . . . . 57 ASP N . 18236 1 254 . 1 1 58 58 LYS H H 1 7.327 0.004 0.1 1 . . . . 58 LYS H . 18236 1 255 . 1 1 58 58 LYS C C 13 177.415 0.000 0.5 1 . . . . 58 LYS C . 18236 1 256 . 1 1 58 58 LYS CA C 13 55.670 0.011 0.5 1 . . . . 58 LYS CA . 18236 1 257 . 1 1 58 58 LYS CB C 13 29.552 0.003 0.5 1 . . . . 58 LYS CB . 18236 1 258 . 1 1 58 58 LYS CG C 13 23.140 0.000 0.5 1 . . . . 58 LYS CG . 18236 1 259 . 1 1 58 58 LYS CD C 13 27.168 0.000 0.5 1 . . . . 58 LYS CD . 18236 1 260 . 1 1 58 58 LYS N N 15 125.069 0.030 0.5 1 . . . . 58 LYS N . 18236 1 261 . 1 1 59 59 THR H H 1 8.190 0.002 0.1 1 . . . . 59 THR H . 18236 1 262 . 1 1 59 59 THR C C 13 173.723 0.000 0.5 1 . . . . 59 THR C . 18236 1 263 . 1 1 59 59 THR CA C 13 62.691 0.075 0.5 1 . . . . 59 THR CA . 18236 1 264 . 1 1 59 59 THR CB C 13 68.066 0.023 0.5 1 . . . . 59 THR CB . 18236 1 265 . 1 1 59 59 THR CG2 C 13 21.808 0.000 0.5 1 . . . . 59 THR CG2 . 18236 1 266 . 1 1 59 59 THR N N 15 113.614 0.020 0.5 1 . . . . 59 THR N . 18236 1 267 . 1 1 60 60 ASP H H 1 6.859 0.001 0.1 1 . . . . 60 ASP H . 18236 1 268 . 1 1 60 60 ASP C C 13 173.322 0.000 0.5 1 . . . . 60 ASP C . 18236 1 269 . 1 1 60 60 ASP CA C 13 53.250 0.070 0.5 1 . . . . 60 ASP CA . 18236 1 270 . 1 1 60 60 ASP CB C 13 42.190 0.053 0.5 1 . . . . 60 ASP CB . 18236 1 271 . 1 1 60 60 ASP N N 15 121.810 0.022 0.5 1 . . . . 60 ASP N . 18236 1 272 . 1 1 61 61 SER H H 1 7.564 0.002 0.1 1 . . . . 61 SER H . 18236 1 273 . 1 1 61 61 SER C C 13 176.772 0.000 0.5 1 . . . . 61 SER C . 18236 1 274 . 1 1 61 61 SER CA C 13 56.171 0.047 0.5 1 . . . . 61 SER CA . 18236 1 275 . 1 1 61 61 SER CB C 13 62.741 0.025 0.5 1 . . . . 61 SER CB . 18236 1 276 . 1 1 61 61 SER N N 15 111.284 0.026 0.5 1 . . . . 61 SER N . 18236 1 277 . 1 1 62 62 GLY H H 1 8.614 0.002 0.1 1 . . . . 62 GLY H . 18236 1 278 . 1 1 62 62 GLY C C 13 176.212 0.000 0.5 1 . . . . 62 GLY C . 18236 1 279 . 1 1 62 62 GLY CA C 13 48.099 0.030 0.5 1 . . . . 62 GLY CA . 18236 1 280 . 1 1 62 62 GLY N N 15 111.010 0.013 0.5 1 . . . . 62 GLY N . 18236 1 281 . 1 1 63 63 CYS H H 1 9.562 0.002 0.1 1 . . . . 63 CYS H . 18236 1 282 . 1 1 63 63 CYS C C 13 175.472 0.000 0.5 1 . . . . 63 CYS C . 18236 1 283 . 1 1 63 63 CYS CA C 13 54.839 0.067 0.5 1 . . . . 63 CYS CA . 18236 1 284 . 1 1 63 63 CYS CB C 13 39.384 0.016 0.5 1 . . . . 63 CYS CB . 18236 1 285 . 1 1 63 63 CYS N N 15 123.629 0.026 0.5 1 . . . . 63 CYS N . 18236 1 286 . 1 1 64 64 SER H H 1 8.794 0.005 0.1 1 . . . . 64 SER H . 18236 1 287 . 1 1 64 64 SER C C 13 172.702 0.000 0.5 1 . . . . 64 SER C . 18236 1 288 . 1 1 64 64 SER CA C 13 58.051 0.010 0.5 1 . . . . 64 SER CA . 18236 1 289 . 1 1 64 64 SER CB C 13 62.138 0.054 0.5 1 . . . . 64 SER CB . 18236 1 290 . 1 1 64 64 SER N N 15 114.724 0.029 0.5 1 . . . . 64 SER N . 18236 1 291 . 1 1 65 65 GLY H H 1 7.007 0.003 0.1 1 . . . . 65 GLY H . 18236 1 292 . 1 1 65 65 GLY C C 13 171.873 0.000 0.5 1 . . . . 65 GLY C . 18236 1 293 . 1 1 65 65 GLY CA C 13 44.239 0.076 0.5 1 . . . . 65 GLY CA . 18236 1 294 . 1 1 65 65 GLY N N 15 106.477 0.018 0.5 1 . . . . 65 GLY N . 18236 1 295 . 1 1 66 66 GLY H H 1 7.962 0.002 0.1 1 . . . . 66 GLY H . 18236 1 296 . 1 1 66 66 GLY C C 13 170.547 0.000 0.5 1 . . . . 66 GLY C . 18236 1 297 . 1 1 66 66 GLY CA C 13 44.475 0.101 0.5 1 . . . . 66 GLY CA . 18236 1 298 . 1 1 66 66 GLY N N 15 104.973 0.008 0.5 1 . . . . 66 GLY N . 18236 1 299 . 1 1 67 67 LEU H H 1 7.590 0.005 0.1 1 . . . . 67 LEU H . 18236 1 300 . 1 1 67 67 LEU C C 13 176.029 0.000 0.5 1 . . . . 67 LEU C . 18236 1 301 . 1 1 67 67 LEU CA C 13 53.026 0.009 0.5 1 . . . . 67 LEU CA . 18236 1 302 . 1 1 67 67 LEU CB C 13 43.616 0.101 0.5 1 . . . . 67 LEU CB . 18236 1 303 . 1 1 67 67 LEU CD1 C 13 25.274 0.000 0.5 2 . . . . 67 LEU CD1 . 18236 1 304 . 1 1 67 67 LEU CD2 C 13 22.308 0.000 0.5 2 . . . . 67 LEU CD2 . 18236 1 305 . 1 1 67 67 LEU N N 15 117.517 0.011 0.5 1 . . . . 67 LEU N . 18236 1 306 . 1 1 68 68 MET H H 1 8.573 0.007 0.1 1 . . . . 68 MET H . 18236 1 307 . 1 1 68 68 MET HE1 H 1 2.129 0.000 0.1 1 . . . . 68 MET HE . 18236 1 308 . 1 1 68 68 MET HE2 H 1 2.129 0.000 0.1 1 . . . . 68 MET HE . 18236 1 309 . 1 1 68 68 MET HE3 H 1 2.129 0.000 0.1 1 . . . . 68 MET HE . 18236 1 310 . 1 1 68 68 MET C C 13 176.129 0.000 0.5 1 . . . . 68 MET C . 18236 1 311 . 1 1 68 68 MET CA C 13 63.395 0.044 0.5 1 . . . . 68 MET CA . 18236 1 312 . 1 1 68 68 MET CB C 13 26.953 0.004 0.5 1 . . . . 68 MET CB . 18236 1 313 . 1 1 68 68 MET CG C 13 33.550 0.000 0.5 1 . . . . 68 MET CG . 18236 1 314 . 1 1 68 68 MET CE C 13 16.881 0.000 0.5 1 . . . . 68 MET CE . 18236 1 315 . 1 1 68 68 MET N N 15 125.505 0.028 0.5 1 . . . . 68 MET N . 18236 1 316 . 1 1 69 69 ASN H H 1 9.032 0.009 0.1 1 . . . . 69 ASN H . 18236 1 317 . 1 1 69 69 ASN HD21 H 1 7.319 0.001 0.1 2 . . . . 69 ASN HD21 . 18236 1 318 . 1 1 69 69 ASN HD22 H 1 7.266 0.009 0.1 2 . . . . 69 ASN HD22 . 18236 1 319 . 1 1 69 69 ASN C C 13 177.788 0.000 0.5 1 . . . . 69 ASN C . 18236 1 320 . 1 1 69 69 ASN CA C 13 55.838 0.058 0.5 1 . . . . 69 ASN CA . 18236 1 321 . 1 1 69 69 ASN CB C 13 36.575 0.105 0.5 1 . . . . 69 ASN CB . 18236 1 322 . 1 1 69 69 ASN CG C 13 175.218 0.015 0.5 1 . . . . 69 ASN CG . 18236 1 323 . 1 1 69 69 ASN N N 15 114.356 0.038 0.5 1 . . . . 69 ASN N . 18236 1 324 . 1 1 69 69 ASN ND2 N 15 112.380 0.225 0.5 1 . . . . 69 ASN ND2 . 18236 1 325 . 1 1 70 70 ASN H H 1 6.255 0.004 0.1 1 . . . . 70 ASN H . 18236 1 326 . 1 1 70 70 ASN HD21 H 1 6.727 0.017 0.1 2 . . . . 70 ASN HD21 . 18236 1 327 . 1 1 70 70 ASN HD22 H 1 6.693 0.002 0.1 2 . . . . 70 ASN HD22 . 18236 1 328 . 1 1 70 70 ASN C C 13 177.656 0.000 0.5 1 . . . . 70 ASN C . 18236 1 329 . 1 1 70 70 ASN CA C 13 54.613 0.029 0.5 1 . . . . 70 ASN CA . 18236 1 330 . 1 1 70 70 ASN CB C 13 37.393 0.118 0.5 1 . . . . 70 ASN CB . 18236 1 331 . 1 1 70 70 ASN CG C 13 176.580 0.015 0.5 1 . . . . 70 ASN CG . 18236 1 332 . 1 1 70 70 ASN N N 15 116.889 0.020 0.5 1 . . . . 70 ASN N . 18236 1 333 . 1 1 70 70 ASN ND2 N 15 109.591 0.241 0.5 1 . . . . 70 ASN ND2 . 18236 1 334 . 1 1 71 71 ALA H H 1 7.712 0.004 0.1 1 . . . . 71 ALA H . 18236 1 335 . 1 1 71 71 ALA C C 13 179.843 0.000 0.5 1 . . . . 71 ALA C . 18236 1 336 . 1 1 71 71 ALA CA C 13 54.509 0.094 0.5 1 . . . . 71 ALA CA . 18236 1 337 . 1 1 71 71 ALA CB C 13 17.077 0.038 0.5 1 . . . . 71 ALA CB . 18236 1 338 . 1 1 71 71 ALA N N 15 125.366 0.035 0.5 1 . . . . 71 ALA N . 18236 1 339 . 1 1 72 72 PHE H H 1 8.069 0.004 0.1 1 . . . . 72 PHE H . 18236 1 340 . 1 1 72 72 PHE C C 13 179.209 0.000 0.5 1 . . . . 72 PHE C . 18236 1 341 . 1 1 72 72 PHE CA C 13 58.445 0.083 0.5 1 . . . . 72 PHE CA . 18236 1 342 . 1 1 72 72 PHE CB C 13 37.651 0.061 0.5 1 . . . . 72 PHE CB . 18236 1 343 . 1 1 72 72 PHE N N 15 113.788 0.047 0.5 1 . . . . 72 PHE N . 18236 1 344 . 1 1 73 73 GLU H H 1 7.575 0.006 0.1 1 . . . . 73 GLU H . 18236 1 345 . 1 1 73 73 GLU C C 13 177.258 0.000 0.5 1 . . . . 73 GLU C . 18236 1 346 . 1 1 73 73 GLU CA C 13 58.688 0.012 0.5 1 . . . . 73 GLU CA . 18236 1 347 . 1 1 73 73 GLU CB C 13 27.891 0.392 0.5 1 . . . . 73 GLU CB . 18236 1 348 . 1 1 73 73 GLU CG C 13 34.649 0.000 0.5 1 . . . . 73 GLU CG . 18236 1 349 . 1 1 73 73 GLU N N 15 118.598 0.068 0.5 1 . . . . 73 GLU N . 18236 1 350 . 1 1 74 74 TRP H H 1 8.924 0.006 0.1 1 . . . . 74 TRP H . 18236 1 351 . 1 1 74 74 TRP CA C 13 62.743 0.000 0.5 1 . . . . 74 TRP CA . 18236 1 352 . 1 1 74 74 TRP CB C 13 25.316 0.000 0.5 1 . . . . 74 TRP CB . 18236 1 353 . 1 1 74 74 TRP N N 15 122.206 0.012 0.5 1 . . . . 74 TRP N . 18236 1 354 . 1 1 76 76 VAL C C 13 176.768 0.000 0.5 1 . . . . 76 VAL C . 18236 1 355 . 1 1 76 76 VAL CA C 13 66.668 0.030 0.5 1 . . . . 76 VAL CA . 18236 1 356 . 1 1 76 76 VAL CB C 13 31.831 0.055 0.5 1 . . . . 76 VAL CB . 18236 1 357 . 1 1 76 76 VAL CG1 C 13 21.880 0.000 0.5 2 . . . . 76 VAL CG1 . 18236 1 358 . 1 1 76 76 VAL CG2 C 13 20.203 0.000 0.5 2 . . . . 76 VAL CG2 . 18236 1 359 . 1 1 77 77 GLN H H 1 8.972 0.003 0.1 1 . . . . 77 GLN H . 18236 1 360 . 1 1 77 77 GLN HE21 H 1 7.594 0.007 0.1 2 . . . . 77 GLN HE21 . 18236 1 361 . 1 1 77 77 GLN HE22 H 1 6.851 0.003 0.1 2 . . . . 77 GLN HE22 . 18236 1 362 . 1 1 77 77 GLN C C 13 178.094 0.000 0.5 1 . . . . 77 GLN C . 18236 1 363 . 1 1 77 77 GLN CA C 13 57.771 0.062 0.5 1 . . . . 77 GLN CA . 18236 1 364 . 1 1 77 77 GLN CB C 13 28.239 0.028 0.5 1 . . . . 77 GLN CB . 18236 1 365 . 1 1 77 77 GLN CG C 13 33.487 0.098 0.5 1 . . . . 77 GLN CG . 18236 1 366 . 1 1 77 77 GLN CD C 13 178.985 0.010 0.5 1 . . . . 77 GLN CD . 18236 1 367 . 1 1 77 77 GLN N N 15 115.579 0.050 0.5 1 . . . . 77 GLN N . 18236 1 368 . 1 1 77 77 GLN NE2 N 15 111.753 0.177 0.5 1 . . . . 77 GLN NE2 . 18236 1 369 . 1 1 78 78 GLU H H 1 8.201 0.002 0.1 1 . . . . 78 GLU H . 18236 1 370 . 1 1 78 78 GLU C C 13 176.568 0.000 0.5 1 . . . . 78 GLU C . 18236 1 371 . 1 1 78 78 GLU CA C 13 55.268 0.048 0.5 1 . . . . 78 GLU CA . 18236 1 372 . 1 1 78 78 GLU CB C 13 28.475 0.046 0.5 1 . . . . 78 GLU CB . 18236 1 373 . 1 1 78 78 GLU CG C 13 35.126 0.000 0.5 1 . . . . 78 GLU CG . 18236 1 374 . 1 1 78 78 GLU N N 15 114.438 0.032 0.5 1 . . . . 78 GLU N . 18236 1 375 . 1 1 79 79 ASN H H 1 6.589 0.002 0.1 1 . . . . 79 ASN H . 18236 1 376 . 1 1 79 79 ASN C C 13 177.211 0.000 0.5 1 . . . . 79 ASN C . 18236 1 377 . 1 1 79 79 ASN CA C 13 51.117 0.013 0.5 1 . . . . 79 ASN CA . 18236 1 378 . 1 1 79 79 ASN CB C 13 41.580 0.016 0.5 1 . . . . 79 ASN CB . 18236 1 379 . 1 1 79 79 ASN N N 15 118.221 0.031 0.5 1 . . . . 79 ASN N . 18236 1 380 . 1 1 80 80 ASN H H 1 8.021 0.004 0.1 1 . . . . 80 ASN H . 18236 1 381 . 1 1 80 80 ASN HD21 H 1 7.473 0.004 0.1 2 . . . . 80 ASN HD21 . 18236 1 382 . 1 1 80 80 ASN HD22 H 1 6.783 0.005 0.1 2 . . . . 80 ASN HD22 . 18236 1 383 . 1 1 80 80 ASN C C 13 174.575 0.000 0.5 1 . . . . 80 ASN C . 18236 1 384 . 1 1 80 80 ASN CA C 13 54.526 0.067 0.5 1 . . . . 80 ASN CA . 18236 1 385 . 1 1 80 80 ASN CB C 13 37.019 0.098 0.5 1 . . . . 80 ASN CB . 18236 1 386 . 1 1 80 80 ASN CG C 13 178.289 0.012 0.5 1 . . . . 80 ASN CG . 18236 1 387 . 1 1 80 80 ASN N N 15 115.690 0.020 0.5 1 . . . . 80 ASN N . 18236 1 388 . 1 1 80 80 ASN ND2 N 15 112.972 0.165 0.5 1 . . . . 80 ASN ND2 . 18236 1 389 . 1 1 81 81 GLY H H 1 8.752 0.004 0.1 1 . . . . 81 GLY H . 18236 1 390 . 1 1 81 81 GLY C C 13 172.018 0.000 0.5 1 . . . . 81 GLY C . 18236 1 391 . 1 1 81 81 GLY CA C 13 45.760 0.040 0.5 1 . . . . 81 GLY CA . 18236 1 392 . 1 1 81 81 GLY N N 15 105.838 0.022 0.5 1 . . . . 81 GLY N . 18236 1 393 . 1 1 82 82 ALA H H 1 7.477 0.005 0.1 1 . . . . 82 ALA H . 18236 1 394 . 1 1 82 82 ALA C C 13 176.342 0.000 0.5 1 . . . . 82 ALA C . 18236 1 395 . 1 1 82 82 ALA CA C 13 52.564 0.186 0.5 1 . . . . 82 ALA CA . 18236 1 396 . 1 1 82 82 ALA CB C 13 19.564 0.182 0.5 1 . . . . 82 ALA CB . 18236 1 397 . 1 1 82 82 ALA N N 15 120.852 0.105 0.5 1 . . . . 82 ALA N . 18236 1 398 . 1 1 83 83 VAL H H 1 8.266 0.005 0.1 1 . . . . 83 VAL H . 18236 1 399 . 1 1 83 83 VAL C C 13 176.250 0.000 0.5 1 . . . . 83 VAL C . 18236 1 400 . 1 1 83 83 VAL CA C 13 60.396 0.016 0.5 1 . . . . 83 VAL CA . 18236 1 401 . 1 1 83 83 VAL CB C 13 32.230 0.029 0.5 1 . . . . 83 VAL CB . 18236 1 402 . 1 1 83 83 VAL N N 15 117.158 0.049 0.5 1 . . . . 83 VAL N . 18236 1 403 . 1 1 84 84 TYR H H 1 6.824 0.002 0.1 1 . . . . 84 TYR H . 18236 1 404 . 1 1 84 84 TYR C C 13 174.726 0.000 0.5 1 . . . . 84 TYR C . 18236 1 405 . 1 1 84 84 TYR CA C 13 57.220 0.070 0.5 1 . . . . 84 TYR CA . 18236 1 406 . 1 1 84 84 TYR CB C 13 38.148 0.076 0.5 1 . . . . 84 TYR CB . 18236 1 407 . 1 1 84 84 TYR N N 15 125.992 0.018 0.5 1 . . . . 84 TYR N . 18236 1 408 . 1 1 85 85 THR H H 1 8.690 0.004 0.1 1 . . . . 85 THR H . 18236 1 409 . 1 1 85 85 THR C C 13 174.632 0.000 0.5 1 . . . . 85 THR C . 18236 1 410 . 1 1 85 85 THR CA C 13 60.961 0.017 0.5 1 . . . . 85 THR CA . 18236 1 411 . 1 1 85 85 THR CB C 13 68.629 0.018 0.5 1 . . . . 85 THR CB . 18236 1 412 . 1 1 85 85 THR CG2 C 13 21.652 0.000 0.5 1 . . . . 85 THR CG2 . 18236 1 413 . 1 1 85 85 THR N N 15 108.891 0.045 0.5 1 . . . . 85 THR N . 18236 1 414 . 1 1 86 86 GLU H H 1 8.693 0.003 0.1 1 . . . . 86 GLU H . 18236 1 415 . 1 1 86 86 GLU C C 13 178.545 0.000 0.5 1 . . . . 86 GLU C . 18236 1 416 . 1 1 86 86 GLU CA C 13 58.546 0.007 0.5 1 . . . . 86 GLU CA . 18236 1 417 . 1 1 86 86 GLU CB C 13 28.754 0.002 0.5 1 . . . . 86 GLU CB . 18236 1 418 . 1 1 86 86 GLU CG C 13 34.858 0.000 0.5 1 . . . . 86 GLU CG . 18236 1 419 . 1 1 86 86 GLU N N 15 125.032 0.036 0.5 1 . . . . 86 GLU N . 18236 1 420 . 1 1 87 87 ASP H H 1 8.517 0.003 0.1 1 . . . . 87 ASP H . 18236 1 421 . 1 1 87 87 ASP C C 13 177.359 0.000 0.5 1 . . . . 87 ASP C . 18236 1 422 . 1 1 87 87 ASP CA C 13 56.214 0.016 0.5 1 . . . . 87 ASP CA . 18236 1 423 . 1 1 87 87 ASP CB C 13 39.945 0.014 0.5 1 . . . . 87 ASP CB . 18236 1 424 . 1 1 87 87 ASP N N 15 113.288 0.018 0.5 1 . . . . 87 ASP N . 18236 1 425 . 1 1 88 88 SER H H 1 7.494 0.002 0.1 1 . . . . 88 SER H . 18236 1 426 . 1 1 88 88 SER C C 13 175.163 0.000 0.5 1 . . . . 88 SER C . 18236 1 427 . 1 1 88 88 SER CA C 13 58.103 0.019 0.5 1 . . . . 88 SER CA . 18236 1 428 . 1 1 88 88 SER CB C 13 64.535 0.040 0.5 1 . . . . 88 SER CB . 18236 1 429 . 1 1 88 88 SER N N 15 109.797 0.010 0.5 1 . . . . 88 SER N . 18236 1 430 . 1 1 89 89 TYR H H 1 7.836 0.003 0.1 1 . . . . 89 TYR H . 18236 1 431 . 1 1 89 89 TYR CA C 13 54.145 0.000 0.5 1 . . . . 89 TYR CA . 18236 1 432 . 1 1 89 89 TYR CB C 13 35.373 0.000 0.5 1 . . . . 89 TYR CB . 18236 1 433 . 1 1 89 89 TYR N N 15 127.680 0.025 0.5 1 . . . . 89 TYR N . 18236 1 434 . 1 1 90 90 PRO C C 13 176.357 0.000 0.5 1 . . . . 90 PRO C . 18236 1 435 . 1 1 90 90 PRO CA C 13 63.053 0.033 0.5 1 . . . . 90 PRO CA . 18236 1 436 . 1 1 90 90 PRO CB C 13 32.354 0.030 0.5 1 . . . . 90 PRO CB . 18236 1 437 . 1 1 90 90 PRO CG C 13 26.027 0.000 0.5 1 . . . . 90 PRO CG . 18236 1 438 . 1 1 91 91 TYR H H 1 9.312 0.012 0.1 1 . . . . 91 TYR H . 18236 1 439 . 1 1 91 91 TYR C C 13 177.102 0.000 0.5 1 . . . . 91 TYR C . 18236 1 440 . 1 1 91 91 TYR CA C 13 60.254 0.086 0.5 1 . . . . 91 TYR CA . 18236 1 441 . 1 1 91 91 TYR CB C 13 37.218 0.029 0.5 1 . . . . 91 TYR CB . 18236 1 442 . 1 1 91 91 TYR N N 15 121.379 0.043 0.5 1 . . . . 91 TYR N . 18236 1 443 . 1 1 92 92 ALA H H 1 8.763 0.003 0.1 1 . . . . 92 ALA H . 18236 1 444 . 1 1 92 92 ALA CA C 13 51.042 0.000 0.5 1 . . . . 92 ALA CA . 18236 1 445 . 1 1 92 92 ALA CB C 13 20.108 0.000 0.5 1 . . . . 92 ALA CB . 18236 1 446 . 1 1 92 92 ALA N N 15 131.283 0.026 0.5 1 . . . . 92 ALA N . 18236 1 447 . 1 1 93 93 SER C C 13 175.579 0.000 0.5 1 . . . . 93 SER C . 18236 1 448 . 1 1 93 93 SER CA C 13 57.907 0.023 0.5 1 . . . . 93 SER CA . 18236 1 449 . 1 1 93 93 SER CB C 13 63.674 0.247 0.5 1 . . . . 93 SER CB . 18236 1 450 . 1 1 94 94 GLY H H 1 8.692 0.002 0.1 1 . . . . 94 GLY H . 18236 1 451 . 1 1 94 94 GLY C C 13 175.671 0.000 0.5 1 . . . . 94 GLY C . 18236 1 452 . 1 1 94 94 GLY CA C 13 47.092 0.016 0.5 1 . . . . 94 GLY CA . 18236 1 453 . 1 1 94 94 GLY N N 15 109.546 0.062 0.5 1 . . . . 94 GLY N . 18236 1 454 . 1 1 95 95 GLU H H 1 8.312 0.003 0.1 1 . . . . 95 GLU H . 18236 1 455 . 1 1 95 95 GLU C C 13 176.784 0.000 0.5 1 . . . . 95 GLU C . 18236 1 456 . 1 1 95 95 GLU CA C 13 55.761 0.014 0.5 1 . . . . 95 GLU CA . 18236 1 457 . 1 1 95 95 GLU CB C 13 27.851 0.057 0.5 1 . . . . 95 GLU CB . 18236 1 458 . 1 1 95 95 GLU CG C 13 35.802 0.000 0.5 1 . . . . 95 GLU CG . 18236 1 459 . 1 1 95 95 GLU N N 15 117.917 0.014 0.5 1 . . . . 95 GLU N . 18236 1 460 . 1 1 96 96 GLY H H 1 8.266 0.002 0.1 1 . . . . 96 GLY H . 18236 1 461 . 1 1 96 96 GLY C C 13 172.732 0.000 0.5 1 . . . . 96 GLY C . 18236 1 462 . 1 1 96 96 GLY CA C 13 45.009 0.065 0.5 1 . . . . 96 GLY CA . 18236 1 463 . 1 1 96 96 GLY N N 15 106.111 0.019 0.5 1 . . . . 96 GLY N . 18236 1 464 . 1 1 97 97 ILE H H 1 7.415 0.001 0.1 1 . . . . 97 ILE H . 18236 1 465 . 1 1 97 97 ILE C C 13 175.440 0.000 0.5 1 . . . . 97 ILE C . 18236 1 466 . 1 1 97 97 ILE CA C 13 58.961 0.037 0.5 1 . . . . 97 ILE CA . 18236 1 467 . 1 1 97 97 ILE CB C 13 38.485 0.028 0.5 1 . . . . 97 ILE CB . 18236 1 468 . 1 1 97 97 ILE CG1 C 13 25.864 0.000 0.5 4 . . . . 97 ILE CG1 . 18236 1 469 . 1 1 97 97 ILE CD1 C 13 16.473 0.000 0.5 1 . . . . 97 ILE CD1 . 18236 1 470 . 1 1 97 97 ILE N N 15 119.601 0.023 0.5 1 . . . . 97 ILE N . 18236 1 471 . 1 1 98 98 SER H H 1 8.716 0.002 0.1 1 . . . . 98 SER H . 18236 1 472 . 1 1 98 98 SER CA C 13 53.874 0.000 0.5 1 . . . . 98 SER CA . 18236 1 473 . 1 1 98 98 SER CB C 13 63.377 0.000 0.5 1 . . . . 98 SER CB . 18236 1 474 . 1 1 98 98 SER N N 15 122.101 0.019 0.5 1 . . . . 98 SER N . 18236 1 475 . 1 1 100 100 PRO C C 13 176.306 0.000 0.5 1 . . . . 100 PRO C . 18236 1 476 . 1 1 100 100 PRO CA C 13 62.151 0.004 0.5 1 . . . . 100 PRO CA . 18236 1 477 . 1 1 100 100 PRO CB C 13 31.181 0.010 0.5 1 . . . . 100 PRO CB . 18236 1 478 . 1 1 100 100 PRO CG C 13 26.273 0.000 0.5 1 . . . . 100 PRO CG . 18236 1 479 . 1 1 100 100 PRO CD C 13 49.963 0.000 0.5 1 . . . . 100 PRO CD . 18236 1 480 . 1 1 101 101 CYS H H 1 8.795 0.003 0.1 1 . . . . 101 CYS H . 18236 1 481 . 1 1 101 101 CYS C C 13 174.627 0.000 0.5 1 . . . . 101 CYS C . 18236 1 482 . 1 1 101 101 CYS CA C 13 57.151 0.105 0.5 1 . . . . 101 CYS CA . 18236 1 483 . 1 1 101 101 CYS CB C 13 41.694 0.102 0.5 1 . . . . 101 CYS CB . 18236 1 484 . 1 1 101 101 CYS N N 15 120.905 0.041 0.5 1 . . . . 101 CYS N . 18236 1 485 . 1 1 102 102 THR H H 1 7.899 0.002 0.1 1 . . . . 102 THR H . 18236 1 486 . 1 1 102 102 THR C C 13 175.467 0.000 0.5 1 . . . . 102 THR C . 18236 1 487 . 1 1 102 102 THR CA C 13 58.659 0.015 0.5 1 . . . . 102 THR CA . 18236 1 488 . 1 1 102 102 THR CB C 13 70.377 0.020 0.5 1 . . . . 102 THR CB . 18236 1 489 . 1 1 102 102 THR CG2 C 13 21.206 0.000 0.5 1 . . . . 102 THR CG2 . 18236 1 490 . 1 1 102 102 THR N N 15 120.984 0.020 0.5 1 . . . . 102 THR N . 18236 1 491 . 1 1 103 103 THR H H 1 8.600 0.002 0.1 1 . . . . 103 THR H . 18236 1 492 . 1 1 103 103 THR C C 13 174.705 0.000 0.5 1 . . . . 103 THR C . 18236 1 493 . 1 1 103 103 THR CA C 13 61.680 0.027 0.5 1 . . . . 103 THR CA . 18236 1 494 . 1 1 103 103 THR CB C 13 68.583 0.009 0.5 1 . . . . 103 THR CB . 18236 1 495 . 1 1 103 103 THR CG2 C 13 21.231 0.000 0.5 1 . . . . 103 THR CG2 . 18236 1 496 . 1 1 103 103 THR N N 15 114.115 0.032 0.5 1 . . . . 103 THR N . 18236 1 497 . 1 1 104 104 SER H H 1 7.524 0.002 0.1 1 . . . . 104 SER H . 18236 1 498 . 1 1 104 104 SER C C 13 173.713 0.000 0.5 1 . . . . 104 SER C . 18236 1 499 . 1 1 104 104 SER CA C 13 56.902 0.049 0.5 1 . . . . 104 SER CA . 18236 1 500 . 1 1 104 104 SER CB C 13 64.031 0.006 0.5 1 . . . . 104 SER CB . 18236 1 501 . 1 1 104 104 SER N N 15 116.024 0.034 0.5 1 . . . . 104 SER N . 18236 1 502 . 1 1 105 105 GLY H H 1 8.422 0.001 0.1 1 . . . . 105 GLY H . 18236 1 503 . 1 1 105 105 GLY C C 13 173.924 0.000 0.5 1 . . . . 105 GLY C . 18236 1 504 . 1 1 105 105 GLY CA C 13 45.139 0.028 0.5 1 . . . . 105 GLY CA . 18236 1 505 . 1 1 105 105 GLY N N 15 106.923 0.015 0.5 1 . . . . 105 GLY N . 18236 1 506 . 1 1 106 106 HIS H H 1 7.990 0.000 0.1 1 . . . . 106 HIS H . 18236 1 507 . 1 1 106 106 HIS C C 13 172.633 0.000 0.5 1 . . . . 106 HIS C . 18236 1 508 . 1 1 106 106 HIS CA C 13 51.835 0.018 0.5 1 . . . . 106 HIS CA . 18236 1 509 . 1 1 106 106 HIS CB C 13 27.748 0.014 0.5 1 . . . . 106 HIS CB . 18236 1 510 . 1 1 106 106 HIS N N 15 116.466 0.014 0.5 1 . . . . 106 HIS N . 18236 1 511 . 1 1 107 107 THR H H 1 8.975 0.001 0.1 1 . . . . 107 THR H . 18236 1 512 . 1 1 107 107 THR C C 13 174.061 0.000 0.5 1 . . . . 107 THR C . 18236 1 513 . 1 1 107 107 THR CA C 13 61.426 0.027 0.5 1 . . . . 107 THR CA . 18236 1 514 . 1 1 107 107 THR CB C 13 70.891 0.012 0.5 1 . . . . 107 THR CB . 18236 1 515 . 1 1 107 107 THR CG2 C 13 20.725 0.000 0.5 1 . . . . 107 THR CG2 . 18236 1 516 . 1 1 107 107 THR N N 15 117.571 0.018 0.5 1 . . . . 107 THR N . 18236 1 517 . 1 1 108 108 VAL H H 1 9.379 0.002 0.1 1 . . . . 108 VAL H . 18236 1 518 . 1 1 108 108 VAL C C 13 175.204 0.000 0.5 1 . . . . 108 VAL C . 18236 1 519 . 1 1 108 108 VAL CA C 13 65.727 0.004 0.5 1 . . . . 108 VAL CA . 18236 1 520 . 1 1 108 108 VAL CB C 13 30.961 0.038 0.5 1 . . . . 108 VAL CB . 18236 1 521 . 1 1 108 108 VAL CG1 C 13 21.851 0.000 0.5 2 . . . . 108 VAL CG1 . 18236 1 522 . 1 1 108 108 VAL CG2 C 13 20.637 0.000 0.5 2 . . . . 108 VAL CG2 . 18236 1 523 . 1 1 108 108 VAL N N 15 129.414 0.030 0.5 1 . . . . 108 VAL N . 18236 1 524 . 1 1 109 109 GLY H H 1 9.150 0.004 0.1 1 . . . . 109 GLY H . 18236 1 525 . 1 1 109 109 GLY C C 13 170.300 0.000 0.5 1 . . . . 109 GLY C . 18236 1 526 . 1 1 109 109 GLY CA C 13 45.129 0.029 0.5 1 . . . . 109 GLY CA . 18236 1 527 . 1 1 109 109 GLY N N 15 115.493 0.032 0.5 1 . . . . 109 GLY N . 18236 1 528 . 1 1 110 110 ALA H H 1 7.315 0.002 0.1 1 . . . . 110 ALA H . 18236 1 529 . 1 1 110 110 ALA C C 13 173.835 0.000 0.5 1 . . . . 110 ALA C . 18236 1 530 . 1 1 110 110 ALA CA C 13 49.943 0.029 0.5 1 . . . . 110 ALA CA . 18236 1 531 . 1 1 110 110 ALA CB C 13 21.788 0.029 0.5 1 . . . . 110 ALA CB . 18236 1 532 . 1 1 110 110 ALA N N 15 119.194 0.022 0.5 1 . . . . 110 ALA N . 18236 1 533 . 1 1 111 111 THR H H 1 5.904 0.002 0.1 1 . . . . 111 THR H . 18236 1 534 . 1 1 111 111 THR CA C 13 59.415 0.000 0.5 1 . . . . 111 THR CA . 18236 1 535 . 1 1 111 111 THR CB C 13 71.014 0.000 0.5 1 . . . . 111 THR CB . 18236 1 536 . 1 1 111 111 THR N N 15 111.794 0.029 0.5 1 . . . . 111 THR N . 18236 1 537 . 1 1 112 112 ILE C C 13 175.585 0.000 0.5 1 . . . . 112 ILE C . 18236 1 538 . 1 1 112 112 ILE CA C 13 58.533 0.018 0.5 1 . . . . 112 ILE CA . 18236 1 539 . 1 1 112 112 ILE CB C 13 40.041 0.006 0.5 1 . . . . 112 ILE CB . 18236 1 540 . 1 1 113 113 THR H H 1 8.788 0.002 0.1 1 . . . . 113 THR H . 18236 1 541 . 1 1 113 113 THR C C 13 175.049 0.000 0.5 1 . . . . 113 THR C . 18236 1 542 . 1 1 113 113 THR CA C 13 60.389 0.062 0.5 1 . . . . 113 THR CA . 18236 1 543 . 1 1 113 113 THR CB C 13 69.311 0.010 0.5 1 . . . . 113 THR CB . 18236 1 544 . 1 1 113 113 THR CG2 C 13 20.685 0.000 0.5 1 . . . . 113 THR CG2 . 18236 1 545 . 1 1 113 113 THR N N 15 107.868 0.024 0.5 1 . . . . 113 THR N . 18236 1 546 . 1 1 114 114 GLY H H 1 7.451 0.002 0.1 1 . . . . 114 GLY H . 18236 1 547 . 1 1 114 114 GLY C C 13 171.618 0.000 0.5 1 . . . . 114 GLY C . 18236 1 548 . 1 1 114 114 GLY CA C 13 45.215 0.031 0.5 1 . . . . 114 GLY CA . 18236 1 549 . 1 1 114 114 GLY N N 15 107.822 0.019 0.5 1 . . . . 114 GLY N . 18236 1 550 . 1 1 115 115 HIS H H 1 8.636 0.001 0.1 1 . . . . 115 HIS H . 18236 1 551 . 1 1 115 115 HIS CA C 13 55.101 0.000 0.5 1 . . . . 115 HIS CA . 18236 1 552 . 1 1 115 115 HIS CB C 13 30.606 0.000 0.5 1 . . . . 115 HIS CB . 18236 1 553 . 1 1 115 115 HIS N N 15 115.150 0.025 0.5 1 . . . . 115 HIS N . 18236 1 554 . 1 1 116 116 VAL C C 13 173.851 0.000 0.5 1 . . . . 116 VAL C . 18236 1 555 . 1 1 116 116 VAL CA C 13 58.549 0.003 0.5 1 . . . . 116 VAL CA . 18236 1 556 . 1 1 116 116 VAL CB C 13 34.051 0.009 0.5 1 . . . . 116 VAL CB . 18236 1 557 . 1 1 116 116 VAL CG1 C 13 19.465 0.000 0.5 2 . . . . 116 VAL CG1 . 18236 1 558 . 1 1 116 116 VAL CG2 C 13 18.246 0.000 0.5 2 . . . . 116 VAL CG2 . 18236 1 559 . 1 1 117 117 GLU H H 1 8.403 0.002 0.1 1 . . . . 117 GLU H . 18236 1 560 . 1 1 117 117 GLU C C 13 175.739 0.000 0.5 1 . . . . 117 GLU C . 18236 1 561 . 1 1 117 117 GLU CA C 13 54.828 0.141 0.5 1 . . . . 117 GLU CA . 18236 1 562 . 1 1 117 117 GLU CB C 13 28.236 0.013 0.5 1 . . . . 117 GLU CB . 18236 1 563 . 1 1 117 117 GLU CG C 13 35.131 0.000 0.5 1 . . . . 117 GLU CG . 18236 1 564 . 1 1 117 117 GLU N N 15 124.189 0.017 0.5 1 . . . . 117 GLU N . 18236 1 565 . 1 1 118 118 LEU H H 1 8.317 0.004 0.1 1 . . . . 118 LEU H . 18236 1 566 . 1 1 118 118 LEU CA C 13 52.769 0.000 0.5 1 . . . . 118 LEU CA . 18236 1 567 . 1 1 118 118 LEU CB C 13 39.433 0.000 0.5 1 . . . . 118 LEU CB . 18236 1 568 . 1 1 118 118 LEU N N 15 125.521 0.026 0.5 1 . . . . 118 LEU N . 18236 1 569 . 1 1 119 119 PRO C C 13 176.260 0.000 0.5 1 . . . . 119 PRO C . 18236 1 570 . 1 1 119 119 PRO CA C 13 61.655 0.000 0.5 1 . . . . 119 PRO CA . 18236 1 571 . 1 1 119 119 PRO CB C 13 32.084 0.202 0.5 1 . . . . 119 PRO CB . 18236 1 572 . 1 1 119 119 PRO CG C 13 27.008 0.000 0.5 1 . . . . 119 PRO CG . 18236 1 573 . 1 1 119 119 PRO CD C 13 49.825 0.000 0.5 1 . . . . 119 PRO CD . 18236 1 574 . 1 1 120 120 GLN H H 1 8.260 0.004 0.1 1 . . . . 120 GLN H . 18236 1 575 . 1 1 120 120 GLN HE21 H 1 8.418 0.002 0.1 2 . . . . 120 GLN HE21 . 18236 1 576 . 1 1 120 120 GLN HE22 H 1 6.854 0.004 0.1 2 . . . . 120 GLN HE22 . 18236 1 577 . 1 1 120 120 GLN C C 13 176.461 0.000 0.5 1 . . . . 120 GLN C . 18236 1 578 . 1 1 120 120 GLN CA C 13 52.860 0.028 0.5 1 . . . . 120 GLN CA . 18236 1 579 . 1 1 120 120 GLN CB C 13 25.880 0.045 0.5 1 . . . . 120 GLN CB . 18236 1 580 . 1 1 120 120 GLN CG C 13 32.741 0.029 0.5 1 . . . . 120 GLN CG . 18236 1 581 . 1 1 120 120 GLN CD C 13 181.480 0.004 0.5 1 . . . . 120 GLN CD . 18236 1 582 . 1 1 120 120 GLN N N 15 119.033 0.027 0.5 1 . . . . 120 GLN N . 18236 1 583 . 1 1 120 120 GLN NE2 N 15 115.287 0.188 0.5 1 . . . . 120 GLN NE2 . 18236 1 584 . 1 1 121 121 ASP H H 1 7.923 0.006 0.1 1 . . . . 121 ASP H . 18236 1 585 . 1 1 121 121 ASP C C 13 176.209 0.000 0.5 1 . . . . 121 ASP C . 18236 1 586 . 1 1 121 121 ASP CA C 13 53.388 0.059 0.5 1 . . . . 121 ASP CA . 18236 1 587 . 1 1 121 121 ASP CB C 13 43.187 0.151 0.5 1 . . . . 121 ASP CB . 18236 1 588 . 1 1 121 121 ASP N N 15 121.335 0.032 0.5 1 . . . . 121 ASP N . 18236 1 589 . 1 1 122 122 GLU H H 1 9.693 0.002 0.1 1 . . . . 122 GLU H . 18236 1 590 . 1 1 122 122 GLU C C 13 177.237 0.000 0.5 1 . . . . 122 GLU C . 18236 1 591 . 1 1 122 122 GLU CA C 13 61.639 0.010 0.5 1 . . . . 122 GLU CA . 18236 1 592 . 1 1 122 122 GLU CB C 13 31.124 0.007 0.5 1 . . . . 122 GLU CB . 18236 1 593 . 1 1 122 122 GLU CG C 13 40.561 0.000 0.5 1 . . . . 122 GLU CG . 18236 1 594 . 1 1 122 122 GLU N N 15 125.841 0.028 0.5 1 . . . . 122 GLU N . 18236 1 595 . 1 1 123 123 ALA H H 1 8.248 0.002 0.1 1 . . . . 123 ALA H . 18236 1 596 . 1 1 123 123 ALA C C 13 181.500 0.000 0.5 1 . . . . 123 ALA C . 18236 1 597 . 1 1 123 123 ALA CA C 13 54.703 0.014 0.5 1 . . . . 123 ALA CA . 18236 1 598 . 1 1 123 123 ALA CB C 13 17.107 0.025 0.5 1 . . . . 123 ALA CB . 18236 1 599 . 1 1 123 123 ALA N N 15 121.195 0.019 0.5 1 . . . . 123 ALA N . 18236 1 600 . 1 1 124 124 GLN H H 1 8.252 0.003 0.1 1 . . . . 124 GLN H . 18236 1 601 . 1 1 124 124 GLN C C 13 180.011 0.000 0.5 1 . . . . 124 GLN C . 18236 1 602 . 1 1 124 124 GLN CA C 13 58.614 0.039 0.5 1 . . . . 124 GLN CA . 18236 1 603 . 1 1 124 124 GLN CB C 13 28.246 0.020 0.5 1 . . . . 124 GLN CB . 18236 1 604 . 1 1 124 124 GLN CG C 13 33.899 0.000 0.5 1 . . . . 124 GLN CG . 18236 1 605 . 1 1 124 124 GLN N N 15 118.695 0.028 0.5 1 . . . . 124 GLN N . 18236 1 606 . 1 1 125 125 ILE H H 1 8.630 0.005 0.1 1 . . . . 125 ILE H . 18236 1 607 . 1 1 125 125 ILE C C 13 177.416 0.000 0.5 1 . . . . 125 ILE C . 18236 1 608 . 1 1 125 125 ILE CA C 13 65.804 0.054 0.5 1 . . . . 125 ILE CA . 18236 1 609 . 1 1 125 125 ILE CB C 13 37.578 0.012 0.5 1 . . . . 125 ILE CB . 18236 1 610 . 1 1 125 125 ILE N N 15 122.120 0.046 0.5 1 . . . . 125 ILE N . 18236 1 611 . 1 1 126 126 ALA H H 1 8.366 0.003 0.1 1 . . . . 126 ALA H . 18236 1 612 . 1 1 126 126 ALA C C 13 178.409 0.000 0.5 1 . . . . 126 ALA C . 18236 1 613 . 1 1 126 126 ALA CA C 13 55.600 0.096 0.5 1 . . . . 126 ALA CA . 18236 1 614 . 1 1 126 126 ALA CB C 13 17.021 0.030 0.5 1 . . . . 126 ALA CB . 18236 1 615 . 1 1 126 126 ALA N N 15 121.587 0.066 0.5 1 . . . . 126 ALA N . 18236 1 616 . 1 1 127 127 ALA H H 1 7.857 0.003 0.1 1 . . . . 127 ALA H . 18236 1 617 . 1 1 127 127 ALA C C 13 180.405 0.000 0.5 1 . . . . 127 ALA C . 18236 1 618 . 1 1 127 127 ALA CA C 13 54.581 0.014 0.5 1 . . . . 127 ALA CA . 18236 1 619 . 1 1 127 127 ALA CB C 13 17.351 0.157 0.5 1 . . . . 127 ALA CB . 18236 1 620 . 1 1 127 127 ALA N N 15 117.671 0.037 0.5 1 . . . . 127 ALA N . 18236 1 621 . 1 1 128 128 TRP H H 1 8.139 0.004 0.1 1 . . . . 128 TRP H . 18236 1 622 . 1 1 128 128 TRP CA C 13 61.535 0.000 0.5 1 . . . . 128 TRP CA . 18236 1 623 . 1 1 128 128 TRP N N 15 119.804 0.048 0.5 1 . . . . 128 TRP N . 18236 1 624 . 1 1 130 130 ALA C C 13 176.996 0.000 0.5 1 . . . . 130 ALA C . 18236 1 625 . 1 1 130 130 ALA CA C 13 55.194 0.021 0.5 1 . . . . 130 ALA CA . 18236 1 626 . 1 1 130 130 ALA CB C 13 17.786 0.045 0.5 1 . . . . 130 ALA CB . 18236 1 627 . 1 1 131 131 VAL H H 1 6.945 0.003 0.1 1 . . . . 131 VAL H . 18236 1 628 . 1 1 131 131 VAL C C 13 176.477 0.000 0.5 1 . . . . 131 VAL C . 18236 1 629 . 1 1 131 131 VAL CA C 13 62.694 0.096 0.5 1 . . . . 131 VAL CA . 18236 1 630 . 1 1 131 131 VAL CB C 13 33.438 0.009 0.5 1 . . . . 131 VAL CB . 18236 1 631 . 1 1 131 131 VAL CG1 C 13 20.070 0.000 0.5 2 . . . . 131 VAL CG1 . 18236 1 632 . 1 1 131 131 VAL CG2 C 13 20.070 0.000 0.5 2 . . . . 131 VAL CG2 . 18236 1 633 . 1 1 131 131 VAL N N 15 110.838 0.017 0.5 1 . . . . 131 VAL N . 18236 1 634 . 1 1 132 132 ASN H H 1 8.702 0.004 0.1 1 . . . . 132 ASN H . 18236 1 635 . 1 1 132 132 ASN HD21 H 1 7.635 0.004 0.1 2 . . . . 132 ASN HD21 . 18236 1 636 . 1 1 132 132 ASN HD22 H 1 7.151 0.011 0.1 2 . . . . 132 ASN HD22 . 18236 1 637 . 1 1 132 132 ASN CA C 13 53.139 0.053 0.5 1 . . . . 132 ASN CA . 18236 1 638 . 1 1 132 132 ASN CB C 13 37.653 0.045 0.5 1 . . . . 132 ASN CB . 18236 1 639 . 1 1 132 132 ASN CG C 13 181.346 0.010 0.5 1 . . . . 132 ASN CG . 18236 1 640 . 1 1 132 132 ASN N N 15 114.821 0.033 0.5 1 . . . . 132 ASN N . 18236 1 641 . 1 1 132 132 ASN ND2 N 15 109.150 0.272 0.5 1 . . . . 132 ASN ND2 . 18236 1 642 . 1 1 136 136 ALA C C 13 175.549 0.000 0.5 1 . . . . 136 ALA C . 18236 1 643 . 1 1 136 136 ALA CA C 13 56.348 0.000 0.5 1 . . . . 136 ALA CA . 18236 1 644 . 1 1 136 136 ALA CB C 13 17.626 0.036 0.5 1 . . . . 136 ALA CB . 18236 1 645 . 1 1 137 137 VAL H H 1 7.712 0.006 0.1 1 . . . . 137 VAL H . 18236 1 646 . 1 1 137 137 VAL C C 13 173.497 0.000 0.5 1 . . . . 137 VAL C . 18236 1 647 . 1 1 137 137 VAL CA C 13 58.614 0.061 0.5 1 . . . . 137 VAL CA . 18236 1 648 . 1 1 137 137 VAL CB C 13 34.091 0.015 0.5 1 . . . . 137 VAL CB . 18236 1 649 . 1 1 137 137 VAL N N 15 111.691 0.057 0.5 1 . . . . 137 VAL N . 18236 1 650 . 1 1 138 138 ALA H H 1 7.161 0.003 0.1 1 . . . . 138 ALA H . 18236 1 651 . 1 1 138 138 ALA CA C 13 48.619 0.000 0.5 1 . . . . 138 ALA CA . 18236 1 652 . 1 1 138 138 ALA CB C 13 22.456 0.000 0.5 1 . . . . 138 ALA CB . 18236 1 653 . 1 1 138 138 ALA N N 15 124.881 0.025 0.5 1 . . . . 138 ALA N . 18236 1 654 . 1 1 139 139 VAL C C 13 173.187 0.000 0.5 1 . . . . 139 VAL C . 18236 1 655 . 1 1 139 139 VAL CA C 13 57.499 0.004 0.5 1 . . . . 139 VAL CA . 18236 1 656 . 1 1 139 139 VAL CB C 13 35.926 0.024 0.5 1 . . . . 139 VAL CB . 18236 1 657 . 1 1 139 139 VAL CG1 C 13 20.775 0.000 0.5 2 . . . . 139 VAL CG1 . 18236 1 658 . 1 1 139 139 VAL CG2 C 13 20.775 0.000 0.5 2 . . . . 139 VAL CG2 . 18236 1 659 . 1 1 140 140 ASP H H 1 8.357 0.004 0.1 1 . . . . 140 ASP H . 18236 1 660 . 1 1 140 140 ASP C C 13 176.130 0.000 0.5 1 . . . . 140 ASP C . 18236 1 661 . 1 1 140 140 ASP CA C 13 53.467 0.031 0.5 1 . . . . 140 ASP CA . 18236 1 662 . 1 1 140 140 ASP CB C 13 41.218 0.060 0.5 1 . . . . 140 ASP CB . 18236 1 663 . 1 1 140 140 ASP N N 15 120.322 0.077 0.5 1 . . . . 140 ASP N . 18236 1 664 . 1 1 141 141 ALA H H 1 9.320 0.004 0.1 1 . . . . 141 ALA H . 18236 1 665 . 1 1 141 141 ALA C C 13 178.742 0.000 0.5 1 . . . . 141 ALA C . 18236 1 666 . 1 1 141 141 ALA CA C 13 49.361 0.026 0.5 1 . . . . 141 ALA CA . 18236 1 667 . 1 1 141 141 ALA CB C 13 20.025 0.060 0.5 1 . . . . 141 ALA CB . 18236 1 668 . 1 1 141 141 ALA N N 15 128.533 0.028 0.5 1 . . . . 141 ALA N . 18236 1 669 . 1 1 142 142 SER H H 1 9.356 0.003 0.1 1 . . . . 142 SER H . 18236 1 670 . 1 1 142 142 SER C C 13 177.421 0.000 0.5 1 . . . . 142 SER C . 18236 1 671 . 1 1 142 142 SER CA C 13 61.477 0.014 0.5 1 . . . . 142 SER CA . 18236 1 672 . 1 1 142 142 SER CB C 13 62.661 0.064 0.5 1 . . . . 142 SER CB . 18236 1 673 . 1 1 142 142 SER N N 15 122.178 0.032 0.5 1 . . . . 142 SER N . 18236 1 674 . 1 1 143 143 SER H H 1 9.243 0.006 0.1 1 . . . . 143 SER H . 18236 1 675 . 1 1 143 143 SER C C 13 175.915 0.000 0.5 1 . . . . 143 SER C . 18236 1 676 . 1 1 143 143 SER CA C 13 59.135 0.052 0.5 1 . . . . 143 SER CA . 18236 1 677 . 1 1 143 143 SER CB C 13 64.244 0.087 0.5 1 . . . . 143 SER CB . 18236 1 678 . 1 1 143 143 SER N N 15 115.868 0.049 0.5 1 . . . . 143 SER N . 18236 1 679 . 1 1 144 144 TRP H H 1 8.504 0.003 0.1 1 . . . . 144 TRP H . 18236 1 680 . 1 1 144 144 TRP C C 13 178.640 0.000 0.5 1 . . . . 144 TRP C . 18236 1 681 . 1 1 144 144 TRP CA C 13 58.778 0.037 0.5 1 . . . . 144 TRP CA . 18236 1 682 . 1 1 144 144 TRP CB C 13 28.729 0.025 0.5 1 . . . . 144 TRP CB . 18236 1 683 . 1 1 144 144 TRP N N 15 121.445 0.059 0.5 1 . . . . 144 TRP N . 18236 1 684 . 1 1 145 145 MET H H 1 8.692 0.003 0.1 1 . . . . 145 MET H . 18236 1 685 . 1 1 145 145 MET HE1 H 1 1.653 0.000 0.1 1 . . . . 145 MET HE . 18236 1 686 . 1 1 145 145 MET HE2 H 1 1.653 0.000 0.1 1 . . . . 145 MET HE . 18236 1 687 . 1 1 145 145 MET HE3 H 1 1.653 0.000 0.1 1 . . . . 145 MET HE . 18236 1 688 . 1 1 145 145 MET C C 13 177.966 0.000 0.5 1 . . . . 145 MET C . 18236 1 689 . 1 1 145 145 MET CA C 13 58.148 0.019 0.5 1 . . . . 145 MET CA . 18236 1 690 . 1 1 145 145 MET CB C 13 29.572 0.027 0.5 1 . . . . 145 MET CB . 18236 1 691 . 1 1 145 145 MET CG C 13 30.727 0.000 0.5 1 . . . . 145 MET CG . 18236 1 692 . 1 1 145 145 MET CE C 13 17.271 0.000 0.5 1 . . . . 145 MET CE . 18236 1 693 . 1 1 145 145 MET N N 15 118.940 0.024 0.5 1 . . . . 145 MET N . 18236 1 694 . 1 1 146 146 THR H H 1 7.662 0.006 0.1 1 . . . . 146 THR H . 18236 1 695 . 1 1 146 146 THR C C 13 174.245 0.000 0.5 1 . . . . 146 THR C . 18236 1 696 . 1 1 146 146 THR CA C 13 60.448 0.054 0.5 1 . . . . 146 THR CA . 18236 1 697 . 1 1 146 146 THR CB C 13 68.572 0.014 0.5 1 . . . . 146 THR CB . 18236 1 698 . 1 1 146 146 THR CG2 C 13 20.573 0.000 0.5 1 . . . . 146 THR CG2 . 18236 1 699 . 1 1 146 146 THR N N 15 105.305 0.025 0.5 1 . . . . 146 THR N . 18236 1 700 . 1 1 147 147 TYR H H 1 7.500 0.003 0.1 1 . . . . 147 TYR H . 18236 1 701 . 1 1 147 147 TYR C C 13 175.674 0.000 0.5 1 . . . . 147 TYR C . 18236 1 702 . 1 1 147 147 TYR CA C 13 58.600 0.028 0.5 1 . . . . 147 TYR CA . 18236 1 703 . 1 1 147 147 TYR CB C 13 38.076 0.085 0.5 1 . . . . 147 TYR CB . 18236 1 704 . 1 1 147 147 TYR N N 15 123.080 0.076 0.5 1 . . . . 147 TYR N . 18236 1 705 . 1 1 148 148 THR H H 1 8.401 0.002 0.1 1 . . . . 148 THR H . 18236 1 706 . 1 1 148 148 THR CA C 13 59.904 0.000 0.5 1 . . . . 148 THR CA . 18236 1 707 . 1 1 148 148 THR CB C 13 68.908 0.000 0.5 1 . . . . 148 THR CB . 18236 1 708 . 1 1 148 148 THR N N 15 117.403 0.022 0.5 1 . . . . 148 THR N . 18236 1 709 . 1 1 149 149 GLY C C 13 172.947 0.000 0.5 1 . . . . 149 GLY C . 18236 1 710 . 1 1 149 149 GLY CA C 13 44.066 0.008 0.5 1 . . . . 149 GLY CA . 18236 1 711 . 1 1 150 150 GLY H H 1 8.860 0.002 0.1 1 . . . . 150 GLY H . 18236 1 712 . 1 1 150 150 GLY C C 13 173.420 0.000 0.5 1 . . . . 150 GLY C . 18236 1 713 . 1 1 150 150 GLY CA C 13 42.893 0.008 0.5 1 . . . . 150 GLY CA . 18236 1 714 . 1 1 150 150 GLY N N 15 108.317 0.023 0.5 1 . . . . 150 GLY N . 18236 1 715 . 1 1 151 151 VAL H H 1 8.412 0.002 0.1 1 . . . . 151 VAL H . 18236 1 716 . 1 1 151 151 VAL C C 13 175.817 0.000 0.5 1 . . . . 151 VAL C . 18236 1 717 . 1 1 151 151 VAL CA C 13 61.298 0.185 0.5 1 . . . . 151 VAL CA . 18236 1 718 . 1 1 151 151 VAL CB C 13 30.529 0.040 0.5 1 . . . . 151 VAL CB . 18236 1 719 . 1 1 151 151 VAL CG1 C 13 20.756 0.000 0.5 2 . . . . 151 VAL CG1 . 18236 1 720 . 1 1 151 151 VAL CG2 C 13 20.756 0.000 0.5 2 . . . . 151 VAL CG2 . 18236 1 721 . 1 1 151 151 VAL N N 15 119.299 0.028 0.5 1 . . . . 151 VAL N . 18236 1 722 . 1 1 152 152 MET H H 1 8.853 0.002 0.1 1 . . . . 152 MET H . 18236 1 723 . 1 1 152 152 MET HE1 H 1 2.021 0.000 0.1 1 . . . . 152 MET HE . 18236 1 724 . 1 1 152 152 MET HE2 H 1 2.021 0.000 0.1 1 . . . . 152 MET HE . 18236 1 725 . 1 1 152 152 MET HE3 H 1 2.021 0.000 0.1 1 . . . . 152 MET HE . 18236 1 726 . 1 1 152 152 MET C C 13 175.779 0.000 0.5 1 . . . . 152 MET C . 18236 1 727 . 1 1 152 152 MET CA C 13 56.920 0.010 0.5 1 . . . . 152 MET CA . 18236 1 728 . 1 1 152 152 MET CB C 13 33.460 0.033 0.5 1 . . . . 152 MET CB . 18236 1 729 . 1 1 152 152 MET CG C 13 31.514 0.000 0.5 1 . . . . 152 MET CG . 18236 1 730 . 1 1 152 152 MET CE C 13 18.024 0.000 0.5 1 . . . . 152 MET CE . 18236 1 731 . 1 1 152 152 MET N N 15 129.828 0.029 0.5 1 . . . . 152 MET N . 18236 1 732 . 1 1 153 153 THR H H 1 8.430 0.004 0.1 1 . . . . 153 THR H . 18236 1 733 . 1 1 153 153 THR C C 13 174.498 0.000 0.5 1 . . . . 153 THR C . 18236 1 734 . 1 1 153 153 THR CA C 13 61.211 0.081 0.5 1 . . . . 153 THR CA . 18236 1 735 . 1 1 153 153 THR CB C 13 69.161 0.034 0.5 1 . . . . 153 THR CB . 18236 1 736 . 1 1 153 153 THR CG2 C 13 21.240 0.000 0.5 1 . . . . 153 THR CG2 . 18236 1 737 . 1 1 153 153 THR N N 15 116.721 0.035 0.5 1 . . . . 153 THR N . 18236 1 738 . 1 1 154 154 SER H H 1 7.674 0.003 0.1 1 . . . . 154 SER H . 18236 1 739 . 1 1 154 154 SER C C 13 173.641 0.000 0.5 1 . . . . 154 SER C . 18236 1 740 . 1 1 154 154 SER CA C 13 55.767 0.064 0.5 1 . . . . 154 SER CA . 18236 1 741 . 1 1 154 154 SER CB C 13 62.376 0.102 0.5 1 . . . . 154 SER CB . 18236 1 742 . 1 1 154 154 SER N N 15 117.184 0.020 0.5 1 . . . . 154 SER N . 18236 1 743 . 1 1 155 155 CYS H H 1 8.932 0.001 0.1 1 . . . . 155 CYS H . 18236 1 744 . 1 1 155 155 CYS C C 13 175.903 0.000 0.5 1 . . . . 155 CYS C . 18236 1 745 . 1 1 155 155 CYS CA C 13 54.657 0.007 0.5 1 . . . . 155 CYS CA . 18236 1 746 . 1 1 155 155 CYS CB C 13 43.017 0.102 0.5 1 . . . . 155 CYS CB . 18236 1 747 . 1 1 155 155 CYS N N 15 123.712 0.019 0.5 1 . . . . 155 CYS N . 18236 1 748 . 1 1 156 156 VAL H H 1 7.813 0.003 0.1 1 . . . . 156 VAL H . 18236 1 749 . 1 1 156 156 VAL C C 13 175.307 0.000 0.5 1 . . . . 156 VAL C . 18236 1 750 . 1 1 156 156 VAL CA C 13 65.151 0.012 0.5 1 . . . . 156 VAL CA . 18236 1 751 . 1 1 156 156 VAL CB C 13 30.609 0.008 0.5 1 . . . . 156 VAL CB . 18236 1 752 . 1 1 156 156 VAL CG1 C 13 21.154 0.000 0.5 2 . . . . 156 VAL CG1 . 18236 1 753 . 1 1 156 156 VAL CG2 C 13 18.885 0.000 0.5 2 . . . . 156 VAL CG2 . 18236 1 754 . 1 1 156 156 VAL N N 15 131.863 0.049 0.5 1 . . . . 156 VAL N . 18236 1 755 . 1 1 157 157 SER H H 1 9.028 0.002 0.1 1 . . . . 157 SER H . 18236 1 756 . 1 1 157 157 SER C C 13 172.513 0.000 0.5 1 . . . . 157 SER C . 18236 1 757 . 1 1 157 157 SER CA C 13 55.587 0.044 0.5 1 . . . . 157 SER CA . 18236 1 758 . 1 1 157 157 SER CB C 13 63.278 0.037 0.5 1 . . . . 157 SER CB . 18236 1 759 . 1 1 157 157 SER N N 15 126.070 0.036 0.5 1 . . . . 157 SER N . 18236 1 760 . 1 1 158 158 GLU H H 1 9.540 0.002 0.1 1 . . . . 158 GLU H . 18236 1 761 . 1 1 158 158 GLU C C 13 176.346 0.000 0.5 1 . . . . 158 GLU C . 18236 1 762 . 1 1 158 158 GLU CA C 13 56.808 0.035 0.5 1 . . . . 158 GLU CA . 18236 1 763 . 1 1 158 158 GLU CB C 13 31.823 0.063 0.5 1 . . . . 158 GLU CB . 18236 1 764 . 1 1 158 158 GLU CG C 13 34.638 0.000 0.5 1 . . . . 158 GLU CG . 18236 1 765 . 1 1 158 158 GLU N N 15 121.896 0.013 0.5 1 . . . . 158 GLU N . 18236 1 766 . 1 1 159 159 GLN H H 1 9.213 0.006 0.1 1 . . . . 159 GLN H . 18236 1 767 . 1 1 159 159 GLN HE21 H 1 7.575 0.005 0.1 2 . . . . 159 GLN HE21 . 18236 1 768 . 1 1 159 159 GLN HE22 H 1 6.793 0.004 0.1 2 . . . . 159 GLN HE22 . 18236 1 769 . 1 1 159 159 GLN C C 13 173.589 0.000 0.5 1 . . . . 159 GLN C . 18236 1 770 . 1 1 159 159 GLN CA C 13 54.442 0.047 0.5 1 . . . . 159 GLN CA . 18236 1 771 . 1 1 159 159 GLN CB C 13 30.609 0.014 0.5 1 . . . . 159 GLN CB . 18236 1 772 . 1 1 159 159 GLN CG C 13 32.693 0.068 0.5 1 . . . . 159 GLN CG . 18236 1 773 . 1 1 159 159 GLN CD C 13 180.713 0.007 0.5 1 . . . . 159 GLN CD . 18236 1 774 . 1 1 159 159 GLN N N 15 121.285 0.046 0.5 1 . . . . 159 GLN N . 18236 1 775 . 1 1 159 159 GLN NE2 N 15 111.976 0.259 0.5 1 . . . . 159 GLN NE2 . 18236 1 776 . 1 1 160 160 LEU H H 1 8.452 0.004 0.1 1 . . . . 160 LEU H . 18236 1 777 . 1 1 160 160 LEU C C 13 177.864 0.000 0.5 1 . . . . 160 LEU C . 18236 1 778 . 1 1 160 160 LEU CA C 13 54.939 0.150 0.5 1 . . . . 160 LEU CA . 18236 1 779 . 1 1 160 160 LEU CB C 13 42.231 0.028 0.5 1 . . . . 160 LEU CB . 18236 1 780 . 1 1 160 160 LEU CG C 13 24.612 0.000 0.5 4 . . . . 160 LEU CG . 18236 1 781 . 1 1 160 160 LEU CD1 C 13 24.612 0.000 0.5 4 . . . . 160 LEU CD1 . 18236 1 782 . 1 1 160 160 LEU CD2 C 13 24.612 0.000 0.5 4 . . . . 160 LEU CD2 . 18236 1 783 . 1 1 160 160 LEU N N 15 124.212 0.026 0.5 1 . . . . 160 LEU N . 18236 1 784 . 1 1 161 161 ASP H H 1 8.914 0.008 0.1 1 . . . . 161 ASP H . 18236 1 785 . 1 1 161 161 ASP C C 13 175.003 0.000 0.5 1 . . . . 161 ASP C . 18236 1 786 . 1 1 161 161 ASP CA C 13 53.138 0.106 0.5 1 . . . . 161 ASP CA . 18236 1 787 . 1 1 161 161 ASP CB C 13 40.285 0.064 0.5 1 . . . . 161 ASP CB . 18236 1 788 . 1 1 161 161 ASP N N 15 119.716 0.056 0.5 1 . . . . 161 ASP N . 18236 1 789 . 1 1 162 162 HIS H H 1 8.128 0.003 0.1 1 . . . . 162 HIS H . 18236 1 790 . 1 1 162 162 HIS C C 13 172.826 0.000 0.5 1 . . . . 162 HIS C . 18236 1 791 . 1 1 162 162 HIS CA C 13 54.600 0.009 0.5 1 . . . . 162 HIS CA . 18236 1 792 . 1 1 162 162 HIS CB C 13 34.103 0.021 0.5 1 . . . . 162 HIS CB . 18236 1 793 . 1 1 162 162 HIS N N 15 121.374 0.028 0.5 1 . . . . 162 HIS N . 18236 1 794 . 1 1 163 163 GLY H H 1 6.828 0.002 0.1 1 . . . . 163 GLY H . 18236 1 795 . 1 1 163 163 GLY CA C 13 43.967 0.000 0.5 1 . . . . 163 GLY CA . 18236 1 796 . 1 1 163 163 GLY N N 15 110.751 0.022 0.5 1 . . . . 163 GLY N . 18236 1 797 . 1 1 167 167 VAL C C 13 178.073 0.000 0.5 1 . . . . 167 VAL C . 18236 1 798 . 1 1 167 167 VAL CA C 13 60.331 0.001 0.5 1 . . . . 167 VAL CA . 18236 1 799 . 1 1 167 167 VAL CB C 13 32.270 0.015 0.5 1 . . . . 167 VAL CB . 18236 1 800 . 1 1 168 168 GLY H H 1 8.345 0.004 0.1 1 . . . . 168 GLY H . 18236 1 801 . 1 1 168 168 GLY C C 13 173.636 0.000 0.5 1 . . . . 168 GLY C . 18236 1 802 . 1 1 168 168 GLY CA C 13 46.624 0.314 0.5 1 . . . . 168 GLY CA . 18236 1 803 . 1 1 168 168 GLY N N 15 109.201 0.034 0.5 1 . . . . 168 GLY N . 18236 1 804 . 1 1 169 169 TYR H H 1 7.722 0.006 0.1 1 . . . . 169 TYR H . 18236 1 805 . 1 1 169 169 TYR CA C 13 56.051 0.000 0.5 1 . . . . 169 TYR CA . 18236 1 806 . 1 1 169 169 TYR CB C 13 41.143 0.000 0.5 1 . . . . 169 TYR CB . 18236 1 807 . 1 1 169 169 TYR N N 15 118.304 0.043 0.5 1 . . . . 169 TYR N . 18236 1 808 . 1 1 170 170 ASN HD21 H 1 6.890 0.002 0.1 2 . . . . 170 ASN HD21 . 18236 1 809 . 1 1 170 170 ASN HD22 H 1 6.833 0.004 0.1 2 . . . . 170 ASN HD22 . 18236 1 810 . 1 1 170 170 ASN C C 13 174.034 0.000 0.5 1 . . . . 170 ASN C . 18236 1 811 . 1 1 170 170 ASN CA C 13 52.303 0.039 0.5 1 . . . . 170 ASN CA . 18236 1 812 . 1 1 170 170 ASN CB C 13 38.955 0.035 0.5 1 . . . . 170 ASN CB . 18236 1 813 . 1 1 170 170 ASN CG C 13 176.345 0.003 0.5 1 . . . . 170 ASN CG . 18236 1 814 . 1 1 170 170 ASN ND2 N 15 108.697 0.235 0.5 1 . . . . 170 ASN ND2 . 18236 1 815 . 1 1 171 171 ASP H H 1 9.400 0.003 0.1 1 . . . . 171 ASP H . 18236 1 816 . 1 1 171 171 ASP C C 13 177.201 0.000 0.5 1 . . . . 171 ASP C . 18236 1 817 . 1 1 171 171 ASP CA C 13 54.687 0.039 0.5 1 . . . . 171 ASP CA . 18236 1 818 . 1 1 171 171 ASP CB C 13 40.576 0.022 0.5 1 . . . . 171 ASP CB . 18236 1 819 . 1 1 171 171 ASP N N 15 123.600 0.011 0.5 1 . . . . 171 ASP N . 18236 1 820 . 1 1 172 172 SER H H 1 8.176 0.004 0.1 1 . . . . 172 SER H . 18236 1 821 . 1 1 172 172 SER C C 13 173.545 0.000 0.5 1 . . . . 172 SER C . 18236 1 822 . 1 1 172 172 SER CA C 13 57.526 0.012 0.5 1 . . . . 172 SER CA . 18236 1 823 . 1 1 172 172 SER CB C 13 62.796 0.046 0.5 1 . . . . 172 SER CB . 18236 1 824 . 1 1 172 172 SER N N 15 116.396 0.024 0.5 1 . . . . 172 SER N . 18236 1 825 . 1 1 173 173 ALA H H 1 6.397 0.003 0.1 1 . . . . 173 ALA H . 18236 1 826 . 1 1 173 173 ALA C C 13 175.792 0.000 0.5 1 . . . . 173 ALA C . 18236 1 827 . 1 1 173 173 ALA CA C 13 50.511 0.006 0.5 1 . . . . 173 ALA CA . 18236 1 828 . 1 1 173 173 ALA CB C 13 20.175 0.123 0.5 1 . . . . 173 ALA CB . 18236 1 829 . 1 1 173 173 ALA N N 15 123.003 0.027 0.5 1 . . . . 173 ALA N . 18236 1 830 . 1 1 174 174 ALA H H 1 8.504 0.001 0.1 1 . . . . 174 ALA H . 18236 1 831 . 1 1 174 174 ALA C C 13 179.196 0.000 0.5 1 . . . . 174 ALA C . 18236 1 832 . 1 1 174 174 ALA CA C 13 54.741 0.056 0.5 1 . . . . 174 ALA CA . 18236 1 833 . 1 1 174 174 ALA CB C 13 17.211 0.053 0.5 1 . . . . 174 ALA CB . 18236 1 834 . 1 1 174 174 ALA N N 15 122.218 0.036 0.5 1 . . . . 174 ALA N . 18236 1 835 . 1 1 175 175 VAL H H 1 7.309 0.003 0.1 1 . . . . 175 VAL H . 18236 1 836 . 1 1 175 175 VAL CA C 13 58.793 0.000 0.5 1 . . . . 175 VAL CA . 18236 1 837 . 1 1 175 175 VAL CB C 13 32.340 0.000 0.5 1 . . . . 175 VAL CB . 18236 1 838 . 1 1 175 175 VAL N N 15 114.270 0.028 0.5 1 . . . . 175 VAL N . 18236 1 839 . 1 1 176 176 PRO C C 13 175.220 0.000 0.5 1 . . . . 176 PRO C . 18236 1 840 . 1 1 176 176 PRO CA C 13 56.124 0.029 0.5 1 . . . . 176 PRO CA . 18236 1 841 . 1 1 176 176 PRO CB C 13 29.428 0.051 0.5 1 . . . . 176 PRO CB . 18236 1 842 . 1 1 176 176 PRO CD C 13 41.767 0.000 0.5 9 . . . . 176 PRO CD . 18236 1 843 . 1 1 177 177 TYR H H 1 7.404 0.007 0.1 1 . . . . 177 TYR H . 18236 1 844 . 1 1 177 177 TYR C C 13 173.293 0.000 0.5 1 . . . . 177 TYR C . 18236 1 845 . 1 1 177 177 TYR CA C 13 56.940 0.012 0.5 1 . . . . 177 TYR CA . 18236 1 846 . 1 1 177 177 TYR CB C 13 39.946 0.049 0.5 1 . . . . 177 TYR CB . 18236 1 847 . 1 1 177 177 TYR N N 15 129.290 0.040 0.5 1 . . . . 177 TYR N . 18236 1 848 . 1 1 178 178 TRP H H 1 8.615 0.007 0.1 1 . . . . 178 TRP H . 18236 1 849 . 1 1 178 178 TRP C C 13 176.261 0.000 0.5 1 . . . . 178 TRP C . 18236 1 850 . 1 1 178 178 TRP CA C 13 58.071 0.034 0.5 1 . . . . 178 TRP CA . 18236 1 851 . 1 1 178 178 TRP CB C 13 28.769 0.000 0.5 1 . . . . 178 TRP CB . 18236 1 852 . 1 1 178 178 TRP N N 15 117.206 0.027 0.5 1 . . . . 178 TRP N . 18236 1 853 . 1 1 179 179 ILE H H 1 8.611 0.008 0.1 1 . . . . 179 ILE H . 18236 1 854 . 1 1 179 179 ILE C C 13 179.959 0.000 0.5 1 . . . . 179 ILE C . 18236 1 855 . 1 1 179 179 ILE CA C 13 61.006 0.088 0.5 1 . . . . 179 ILE CA . 18236 1 856 . 1 1 179 179 ILE CB C 13 37.603 0.036 0.5 1 . . . . 179 ILE CB . 18236 1 857 . 1 1 179 179 ILE N N 15 127.968 0.210 0.5 1 . . . . 179 ILE N . 18236 1 858 . 1 1 180 180 ILE H H 1 8.129 0.003 0.1 1 . . . . 180 ILE H . 18236 1 859 . 1 1 180 180 ILE CA C 13 63.968 0.000 0.5 1 . . . . 180 ILE CA . 18236 1 860 . 1 1 180 180 ILE CB C 13 42.910 0.000 0.5 1 . . . . 180 ILE CB . 18236 1 861 . 1 1 180 180 ILE N N 15 115.783 0.048 0.5 1 . . . . 180 ILE N . 18236 1 862 . 1 1 182 182 ASN C C 13 173.082 0.000 0.5 1 . . . . 182 ASN C . 18236 1 863 . 1 1 182 182 ASN CA C 13 48.864 0.039 0.5 1 . . . . 182 ASN CA . 18236 1 864 . 1 1 182 182 ASN CB C 13 39.878 0.072 0.5 1 . . . . 182 ASN CB . 18236 1 865 . 1 1 183 183 SER H H 1 7.413 0.001 0.1 1 . . . . 183 SER H . 18236 1 866 . 1 1 183 183 SER CA C 13 55.870 0.000 0.5 1 . . . . 183 SER CA . 18236 1 867 . 1 1 183 183 SER CB C 13 60.996 0.000 0.5 1 . . . . 183 SER CB . 18236 1 868 . 1 1 183 183 SER N N 15 110.626 0.027 0.5 1 . . . . 183 SER N . 18236 1 869 . 1 1 184 184 TRP C C 13 177.834 0.000 0.5 1 . . . . 184 TRP C . 18236 1 870 . 1 1 184 184 TRP CA C 13 52.229 0.068 0.5 1 . . . . 184 TRP CA . 18236 1 871 . 1 1 184 184 TRP CB C 13 28.157 0.038 0.5 1 . . . . 184 TRP CB . 18236 1 872 . 1 1 185 185 THR H H 1 7.654 0.010 0.1 1 . . . . 185 THR H . 18236 1 873 . 1 1 185 185 THR C C 13 175.711 0.000 0.5 1 . . . . 185 THR C . 18236 1 874 . 1 1 185 185 THR CA C 13 64.615 0.022 0.5 1 . . . . 185 THR CA . 18236 1 875 . 1 1 185 185 THR CB C 13 71.496 0.075 0.5 1 . . . . 185 THR CB . 18236 1 876 . 1 1 185 185 THR CG2 C 13 20.706 0.000 0.5 1 . . . . 185 THR CG2 . 18236 1 877 . 1 1 185 185 THR N N 15 108.900 0.036 0.5 1 . . . . 185 THR N . 18236 1 878 . 1 1 186 186 THR H H 1 8.476 0.002 0.1 1 . . . . 186 THR H . 18236 1 879 . 1 1 186 186 THR C C 13 174.770 0.000 0.5 1 . . . . 186 THR C . 18236 1 880 . 1 1 186 186 THR CA C 13 62.792 0.056 0.5 1 . . . . 186 THR CA . 18236 1 881 . 1 1 186 186 THR CB C 13 68.532 0.027 0.5 1 . . . . 186 THR CB . 18236 1 882 . 1 1 186 186 THR CG2 C 13 22.320 0.000 0.5 1 . . . . 186 THR CG2 . 18236 1 883 . 1 1 186 186 THR N N 15 107.891 0.030 0.5 1 . . . . 186 THR N . 18236 1 884 . 1 1 187 187 GLN H H 1 8.553 0.002 0.1 1 . . . . 187 GLN H . 18236 1 885 . 1 1 187 187 GLN HE21 H 1 7.492 0.001 0.1 2 . . . . 187 GLN HE21 . 18236 1 886 . 1 1 187 187 GLN HE22 H 1 6.804 0.003 0.1 2 . . . . 187 GLN HE22 . 18236 1 887 . 1 1 187 187 GLN C C 13 175.264 0.000 0.5 1 . . . . 187 GLN C . 18236 1 888 . 1 1 187 187 GLN CA C 13 55.864 0.014 0.5 1 . . . . 187 GLN CA . 18236 1 889 . 1 1 187 187 GLN CB C 13 27.869 0.131 0.5 1 . . . . 187 GLN CB . 18236 1 890 . 1 1 187 187 GLN CG C 13 33.992 0.062 0.5 1 . . . . 187 GLN CG . 18236 1 891 . 1 1 187 187 GLN CD C 13 180.614 0.008 0.5 1 . . . . 187 GLN CD . 18236 1 892 . 1 1 187 187 GLN N N 15 119.340 0.027 0.5 1 . . . . 187 GLN N . 18236 1 893 . 1 1 187 187 GLN NE2 N 15 112.182 0.182 0.5 1 . . . . 187 GLN NE2 . 18236 1 894 . 1 1 188 188 TRP H H 1 6.964 0.002 0.1 1 . . . . 188 TRP H . 18236 1 895 . 1 1 188 188 TRP HE1 H 1 9.852 0.002 0.1 9 . . . . 188 TRP HE1 . 18236 1 896 . 1 1 188 188 TRP C C 13 176.006 0.000 0.5 1 . . . . 188 TRP C . 18236 1 897 . 1 1 188 188 TRP CA C 13 56.803 0.144 0.5 1 . . . . 188 TRP CA . 18236 1 898 . 1 1 188 188 TRP CB C 13 30.049 0.039 0.5 1 . . . . 188 TRP CB . 18236 1 899 . 1 1 188 188 TRP CE2 C 13 140.141 0.000 0.5 9 . . . . 188 TRP CE2 . 18236 1 900 . 1 1 188 188 TRP N N 15 119.889 0.025 0.5 1 . . . . 188 TRP N . 18236 1 901 . 1 1 188 188 TRP NE1 N 15 130.830 0.021 0.5 9 . . . . 188 TRP NE1 . 18236 1 902 . 1 1 189 189 GLY H H 1 7.758 0.003 0.1 1 . . . . 189 GLY H . 18236 1 903 . 1 1 189 189 GLY C C 13 173.829 0.000 0.5 1 . . . . 189 GLY C . 18236 1 904 . 1 1 189 189 GLY CA C 13 46.559 0.036 0.5 1 . . . . 189 GLY CA . 18236 1 905 . 1 1 189 189 GLY N N 15 113.726 0.038 0.5 1 . . . . 189 GLY N . 18236 1 906 . 1 1 190 190 GLU H H 1 9.485 0.011 0.1 1 . . . . 190 GLU H . 18236 1 907 . 1 1 190 190 GLU C C 13 176.895 0.000 0.5 1 . . . . 190 GLU C . 18236 1 908 . 1 1 190 190 GLU CA C 13 53.936 0.028 0.5 1 . . . . 190 GLU CA . 18236 1 909 . 1 1 190 190 GLU CB C 13 25.923 0.035 0.5 1 . . . . 190 GLU CB . 18236 1 910 . 1 1 190 190 GLU CG C 13 35.796 0.000 0.5 1 . . . . 190 GLU CG . 18236 1 911 . 1 1 190 190 GLU N N 15 123.185 0.023 0.5 1 . . . . 190 GLU N . 18236 1 912 . 1 1 191 191 GLU H H 1 8.550 0.005 0.1 1 . . . . 191 GLU H . 18236 1 913 . 1 1 191 191 GLU C C 13 176.470 0.000 0.5 1 . . . . 191 GLU C . 18236 1 914 . 1 1 191 191 GLU CA C 13 56.716 0.198 0.5 1 . . . . 191 GLU CA . 18236 1 915 . 1 1 191 191 GLU CB C 13 27.028 0.002 0.5 1 . . . . 191 GLU CB . 18236 1 916 . 1 1 191 191 GLU CG C 13 35.913 0.000 0.5 1 . . . . 191 GLU CG . 18236 1 917 . 1 1 191 191 GLU N N 15 121.335 0.047 0.5 1 . . . . 191 GLU N . 18236 1 918 . 1 1 192 192 GLY H H 1 8.335 0.007 0.1 1 . . . . 192 GLY H . 18236 1 919 . 1 1 192 192 GLY CA C 13 45.882 0.000 0.5 1 . . . . 192 GLY CA . 18236 1 920 . 1 1 192 192 GLY N N 15 103.939 0.091 0.5 1 . . . . 192 GLY N . 18236 1 921 . 1 1 195 195 ARG HE H 1 8.868 0.002 0.1 1 . . . . 195 ARG HE . 18236 1 922 . 1 1 195 195 ARG CG C 13 25.363 0.000 0.5 1 . . . . 195 ARG CG . 18236 1 923 . 1 1 195 195 ARG CD C 13 41.942 0.000 0.5 1 . . . . 195 ARG CD . 18236 1 924 . 1 1 195 195 ARG CZ C 13 159.999 0.000 0.5 1 . . . . 195 ARG CZ . 18236 1 925 . 1 1 195 195 ARG NE N 15 85.527 0.021 0.5 1 . . . . 195 ARG NE . 18236 1 926 . 1 1 197 197 ALA C C 13 175.254 0.000 0.5 1 . . . . 197 ALA C . 18236 1 927 . 1 1 197 197 ALA CA C 13 52.133 0.038 0.5 1 . . . . 197 ALA CA . 18236 1 928 . 1 1 197 197 ALA CB C 13 18.208 0.026 0.5 1 . . . . 197 ALA CB . 18236 1 929 . 1 1 198 198 LYS H H 1 8.219 0.003 0.1 1 . . . . 198 LYS H . 18236 1 930 . 1 1 198 198 LYS C C 13 176.132 0.000 0.5 1 . . . . 198 LYS C . 18236 1 931 . 1 1 198 198 LYS CA C 13 54.876 0.039 0.5 1 . . . . 198 LYS CA . 18236 1 932 . 1 1 198 198 LYS CB C 13 35.243 0.004 0.5 1 . . . . 198 LYS CB . 18236 1 933 . 1 1 198 198 LYS N N 15 123.220 0.036 0.5 1 . . . . 198 LYS N . 18236 1 934 . 1 1 199 199 GLY H H 1 9.189 0.003 0.1 1 . . . . 199 GLY H . 18236 1 935 . 1 1 199 199 GLY C C 13 174.063 0.000 0.5 1 . . . . 199 GLY C . 18236 1 936 . 1 1 199 199 GLY CA C 13 45.211 0.036 0.5 1 . . . . 199 GLY CA . 18236 1 937 . 1 1 199 199 GLY N N 15 115.282 0.020 0.5 1 . . . . 199 GLY N . 18236 1 938 . 1 1 200 200 SER H H 1 8.518 0.002 0.1 1 . . . . 200 SER H . 18236 1 939 . 1 1 200 200 SER C C 13 173.745 0.000 0.5 1 . . . . 200 SER C . 18236 1 940 . 1 1 200 200 SER CA C 13 55.945 0.054 0.5 1 . . . . 200 SER CA . 18236 1 941 . 1 1 200 200 SER CB C 13 61.677 0.008 0.5 1 . . . . 200 SER CB . 18236 1 942 . 1 1 200 200 SER N N 15 115.046 0.052 0.5 1 . . . . 200 SER N . 18236 1 943 . 1 1 201 201 ASN H H 1 9.813 0.004 0.1 1 . . . . 201 ASN H . 18236 1 944 . 1 1 201 201 ASN C C 13 176.687 0.000 0.5 1 . . . . 201 ASN C . 18236 1 945 . 1 1 201 201 ASN CA C 13 52.271 0.020 0.5 1 . . . . 201 ASN CA . 18236 1 946 . 1 1 201 201 ASN CB C 13 36.873 0.034 0.5 1 . . . . 201 ASN CB . 18236 1 947 . 1 1 201 201 ASN N N 15 124.986 0.021 0.5 1 . . . . 201 ASN N . 18236 1 948 . 1 1 202 202 GLN H H 1 10.217 0.003 0.1 1 . . . . 202 GLN H . 18236 1 949 . 1 1 202 202 GLN C C 13 177.981 0.000 0.5 1 . . . . 202 GLN C . 18236 1 950 . 1 1 202 202 GLN CA C 13 56.701 0.051 0.5 1 . . . . 202 GLN CA . 18236 1 951 . 1 1 202 202 GLN CB C 13 27.626 0.007 0.5 1 . . . . 202 GLN CB . 18236 1 952 . 1 1 202 202 GLN CG C 13 33.550 0.000 0.5 1 . . . . 202 GLN CG . 18236 1 953 . 1 1 202 202 GLN N N 15 121.936 0.022 0.5 1 . . . . 202 GLN N . 18236 1 954 . 1 1 203 203 CYS H H 1 8.665 0.003 0.1 1 . . . . 203 CYS H . 18236 1 955 . 1 1 203 203 CYS C C 13 175.039 0.000 0.5 1 . . . . 203 CYS C . 18236 1 956 . 1 1 203 203 CYS CA C 13 52.720 0.055 0.5 1 . . . . 203 CYS CA . 18236 1 957 . 1 1 203 203 CYS CB C 13 35.876 0.056 0.5 1 . . . . 203 CYS CB . 18236 1 958 . 1 1 203 203 CYS N N 15 113.113 0.027 0.5 1 . . . . 203 CYS N . 18236 1 959 . 1 1 204 204 LEU H H 1 8.179 0.004 0.1 1 . . . . 204 LEU H . 18236 1 960 . 1 1 204 204 LEU C C 13 176.247 0.000 0.5 1 . . . . 204 LEU C . 18236 1 961 . 1 1 204 204 LEU CA C 13 55.768 0.019 0.5 1 . . . . 204 LEU CA . 18236 1 962 . 1 1 204 204 LEU CB C 13 37.023 0.039 0.5 1 . . . . 204 LEU CB . 18236 1 963 . 1 1 204 204 LEU CD1 C 13 21.557 0.000 0.5 2 . . . . 204 LEU CD1 . 18236 1 964 . 1 1 204 204 LEU CD2 C 13 21.557 0.000 0.5 2 . . . . 204 LEU CD2 . 18236 1 965 . 1 1 204 204 LEU N N 15 111.247 0.034 0.5 1 . . . . 204 LEU N . 18236 1 966 . 1 1 205 205 VAL H H 1 6.614 0.002 0.1 1 . . . . 205 VAL H . 18236 1 967 . 1 1 205 205 VAL C C 13 174.944 0.000 0.5 1 . . . . 205 VAL C . 18236 1 968 . 1 1 205 205 VAL CA C 13 63.414 0.066 0.5 1 . . . . 205 VAL CA . 18236 1 969 . 1 1 205 205 VAL CB C 13 31.071 0.058 0.5 1 . . . . 205 VAL CB . 18236 1 970 . 1 1 205 205 VAL CG1 C 13 21.121 0.000 0.5 2 . . . . 205 VAL CG1 . 18236 1 971 . 1 1 205 205 VAL CG2 C 13 20.254 0.000 0.5 2 . . . . 205 VAL CG2 . 18236 1 972 . 1 1 205 205 VAL N N 15 114.370 0.019 0.5 1 . . . . 205 VAL N . 18236 1 973 . 1 1 206 206 LYS H H 1 8.094 0.008 0.1 1 . . . . 206 LYS H . 18236 1 974 . 1 1 206 206 LYS C C 13 177.219 0.000 0.5 1 . . . . 206 LYS C . 18236 1 975 . 1 1 206 206 LYS CA C 13 54.610 0.012 0.5 1 . . . . 206 LYS CA . 18236 1 976 . 1 1 206 206 LYS CB C 13 33.513 0.018 0.5 1 . . . . 206 LYS CB . 18236 1 977 . 1 1 206 206 LYS N N 15 117.919 0.028 0.5 1 . . . . 206 LYS N . 18236 1 978 . 1 1 207 207 GLU H H 1 7.908 0.005 0.1 1 . . . . 207 GLU H . 18236 1 979 . 1 1 207 207 GLU C C 13 177.574 0.000 0.5 1 . . . . 207 GLU C . 18236 1 980 . 1 1 207 207 GLU CA C 13 58.657 0.024 0.5 1 . . . . 207 GLU CA . 18236 1 981 . 1 1 207 207 GLU CB C 13 29.345 0.045 0.5 1 . . . . 207 GLU CB . 18236 1 982 . 1 1 207 207 GLU CG C 13 35.861 0.000 0.5 1 . . . . 207 GLU CG . 18236 1 983 . 1 1 207 207 GLU N N 15 118.285 0.049 0.5 1 . . . . 207 GLU N . 18236 1 984 . 1 1 208 208 GLU H H 1 10.378 0.002 0.1 1 . . . . 208 GLU H . 18236 1 985 . 1 1 208 208 GLU C C 13 172.649 0.000 0.5 1 . . . . 208 GLU C . 18236 1 986 . 1 1 208 208 GLU CA C 13 55.337 0.039 0.5 1 . . . . 208 GLU CA . 18236 1 987 . 1 1 208 208 GLU CB C 13 28.814 0.024 0.5 1 . . . . 208 GLU CB . 18236 1 988 . 1 1 208 208 GLU CG C 13 33.951 0.000 0.5 1 . . . . 208 GLU CG . 18236 1 989 . 1 1 208 208 GLU N N 15 126.198 0.038 0.5 1 . . . . 208 GLU N . 18236 1 990 . 1 1 209 209 ALA H H 1 8.972 0.005 0.1 1 . . . . 209 ALA H . 18236 1 991 . 1 1 209 209 ALA C C 13 177.862 0.000 0.5 1 . . . . 209 ALA C . 18236 1 992 . 1 1 209 209 ALA CA C 13 49.285 0.003 0.5 1 . . . . 209 ALA CA . 18236 1 993 . 1 1 209 209 ALA CB C 13 20.623 0.005 0.5 1 . . . . 209 ALA CB . 18236 1 994 . 1 1 209 209 ALA N N 15 128.441 0.046 0.5 1 . . . . 209 ALA N . 18236 1 995 . 1 1 210 210 SER H H 1 9.759 0.003 0.1 1 . . . . 210 SER H . 18236 1 996 . 1 1 210 210 SER CA C 13 56.447 0.000 0.5 1 . . . . 210 SER CA . 18236 1 997 . 1 1 210 210 SER CB C 13 66.806 0.000 0.5 1 . . . . 210 SER CB . 18236 1 998 . 1 1 210 210 SER N N 15 116.951 0.040 0.5 1 . . . . 210 SER N . 18236 1 999 . 1 1 212 212 ALA C C 13 176.452 0.000 0.5 1 . . . . 212 ALA C . 18236 1 1000 . 1 1 212 212 ALA CA C 13 51.840 0.198 0.5 1 . . . . 212 ALA CA . 18236 1 1001 . 1 1 212 212 ALA CB C 13 19.800 0.139 0.5 1 . . . . 212 ALA CB . 18236 1 1002 . 1 1 213 213 VAL H H 1 7.839 0.004 0.1 1 . . . . 213 VAL H . 18236 1 1003 . 1 1 213 213 VAL C C 13 174.908 0.000 0.5 1 . . . . 213 VAL C . 18236 1 1004 . 1 1 213 213 VAL CA C 13 61.128 0.104 0.5 1 . . . . 213 VAL CA . 18236 1 1005 . 1 1 213 213 VAL CB C 13 33.025 0.061 0.5 1 . . . . 213 VAL CB . 18236 1 1006 . 1 1 213 213 VAL CG1 C 13 20.004 0.000 0.5 2 . . . . 213 VAL CG1 . 18236 1 1007 . 1 1 213 213 VAL CG2 C 13 19.273 0.000 0.5 2 . . . . 213 VAL CG2 . 18236 1 1008 . 1 1 213 213 VAL N N 15 121.080 0.046 0.5 1 . . . . 213 VAL N . 18236 1 1009 . 1 1 214 214 VAL H H 1 8.943 0.002 0.1 1 . . . . 214 VAL H . 18236 1 1010 . 1 1 214 214 VAL C C 13 175.498 0.000 0.5 1 . . . . 214 VAL C . 18236 1 1011 . 1 1 214 214 VAL CA C 13 62.180 0.021 0.5 1 . . . . 214 VAL CA . 18236 1 1012 . 1 1 214 214 VAL CB C 13 32.276 0.017 0.5 1 . . . . 214 VAL CB . 18236 1 1013 . 1 1 214 214 VAL CG1 C 13 21.235 0.000 0.5 2 . . . . 214 VAL CG1 . 18236 1 1014 . 1 1 214 214 VAL CG2 C 13 20.231 0.000 0.5 2 . . . . 214 VAL CG2 . 18236 1 1015 . 1 1 214 214 VAL N N 15 125.029 0.052 0.5 1 . . . . 214 VAL N . 18236 1 1016 . 1 1 215 215 GLY H H 1 8.068 0.003 0.1 1 . . . . 215 GLY H . 18236 1 1017 . 1 1 215 215 GLY CA C 13 45.797 0.000 0.5 1 . . . . 215 GLY CA . 18236 1 1018 . 1 1 215 215 GLY N N 15 117.636 0.030 0.5 1 . . . . 215 GLY N . 18236 1 stop_ save_