################################### # 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_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 50027 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _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 $chem_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' . . . 50027 1 3 '3D HNCA' . . . 50027 1 4 '3D HN(CO)CA' . . . 50027 1 5 '3D HNCACB' . . . 50027 1 6 '3D CBCA(CO)NH' . . . 50027 1 7 '3D HNCO' . . . 50027 1 8 '3D HN(CA)CO' . . . 50027 1 9 '3D HCCH-TOCSY' . . . 50027 1 13 '2D 1H-1H NOESY' . . . 50027 1 14 '2D 1H-1H TOCSY' . . . 50027 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_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.Ambiguity_set_ID _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 TRP HD1 H 1 7.391 0.005 . 1 . . 348 . . 1 TRP HD1 . 50027 1 2 . 1 . 1 1 1 TRP HE1 H 1 10.238 0.001 . 1 . . 347 . . 1 TRP HE1 . 50027 1 3 . 1 . 1 1 1 TRP HE3 H 1 7.503 0.002 . 1 . . 350 . . 1 TRP HE3 . 50027 1 4 . 1 . 1 1 1 TRP HZ2 H 1 7.236 0.008 . 1 . . 351 . . 1 TRP HZ2 . 50027 1 5 . 1 . 1 1 1 TRP HZ3 H 1 7.153 0.001 . 1 . . 359 . . 1 TRP HZ3 . 50027 1 6 . 1 . 1 1 1 TRP HH2 H 1 7.571 0.001 . 1 . . 360 . . 1 TRP HH2 . 50027 1 7 . 1 . 1 1 1 TRP C C 13 171.440 . . 1 . . 200 . . 1 TRP C . 50027 1 8 . 1 . 1 1 1 TRP CA C 13 55.884 . . 1 . . 199 . . 1 TRP CA . 50027 1 9 . 1 . 1 1 1 TRP CB C 13 29.750 . . 1 . . 198 . . 1 TRP CB . 50027 1 10 . 1 . 1 1 1 TRP NE1 N 15 131.719 . . 1 . . 349 . . 1 TRP NE1 . 50027 1 11 . 1 . 1 2 2 GLY H H 1 8.889 0.004 . 1 . . 77 . . 2 GLY H . 50027 1 12 . 1 . 1 2 2 GLY HA2 H 1 4.800 . . 2 . . 331 . . 2 GLY HA2 . 50027 1 13 . 1 . 1 2 2 GLY HA3 H 1 4.021 0.005 . 2 . . 332 . . 2 GLY HA3 . 50027 1 14 . 1 . 1 2 2 GLY C C 13 173.422 0.001 . 1 . . 197 . . 2 GLY C . 50027 1 15 . 1 . 1 2 2 GLY CA C 13 44.226 0.062 . 1 . . 196 . . 2 GLY CA . 50027 1 16 . 1 . 1 2 2 GLY N N 15 106.453 0.0 . 1 . . 78 . . 2 GLY N . 50027 1 17 . 1 . 1 3 3 CYS H H 1 8.718 0.004 . 1 . . 69 . . 3 CYS H . 50027 1 18 . 1 . 1 3 3 CYS HA H 1 5.576 0.007 . 1 . . 203 . . 3 CYS HA . 50027 1 19 . 1 . 1 3 3 CYS HB2 H 1 3.218 0.012 . 2 . . 245 . . 3 CYS HB2 . 50027 1 20 . 1 . 1 3 3 CYS HB3 H 1 2.766 0.008 . 2 . . 246 . . 3 CYS HB3 . 50027 1 21 . 1 . 1 3 3 CYS C C 13 172.472 0.031 . 1 . . 195 . . 3 CYS C . 50027 1 22 . 1 . 1 3 3 CYS CA C 13 53.051 0.004 . 1 . . 193 . . 3 CYS CA . 50027 1 23 . 1 . 1 3 3 CYS CB C 13 35.879 0.026 . 1 . . 192 . . 3 CYS CB . 50027 1 24 . 1 . 1 3 3 CYS N N 15 121.846 0.003 . 1 . . 70 . . 3 CYS N . 50027 1 25 . 1 . 1 4 4 VAL H H 1 8.505 0.003 . 1 . . 75 . . 4 VAL H . 50027 1 26 . 1 . 1 4 4 VAL HA H 1 4.307 0.008 . 1 . . 202 . . 4 VAL HA . 50027 1 27 . 1 . 1 4 4 VAL HB H 1 1.975 0.012 . 1 . . 235 . . 4 VAL HB . 50027 1 28 . 1 . 1 4 4 VAL HG11 H 1 0.811 0.01 . 1 . . 236 . . 4 VAL HG11 . 50027 1 29 . 1 . 1 4 4 VAL HG12 H 1 0.811 0.01 . 1 . . 236 . . 4 VAL HG12 . 50027 1 30 . 1 . 1 4 4 VAL HG13 H 1 0.811 0.01 . 1 . . 236 . . 4 VAL HG13 . 50027 1 31 . 1 . 1 4 4 VAL C C 13 175.113 0.02 . 1 . . 194 . . 4 VAL C . 50027 1 32 . 1 . 1 4 4 VAL CA C 13 61.759 0.052 . 1 . . 190 . . 4 VAL CA . 50027 1 33 . 1 . 1 4 4 VAL CB C 13 33.272 0.021 . 1 . . 191 . . 4 VAL CB . 50027 1 34 . 1 . 1 4 4 VAL CG1 C 13 20.820 0.001 . 1 . . 295 . . 4 VAL CG1 . 50027 1 35 . 1 . 1 4 4 VAL N N 15 128.216 0.003 . 1 . . 76 . . 4 VAL N . 50027 1 36 . 1 . 1 5 5 CYS H H 1 8.797 0.008 . 1 . . 188 . . 5 CYS H . 50027 1 37 . 1 . 1 5 5 CYS HA H 1 5.643 0.016 . 1 . . 204 . . 5 CYS HA . 50027 1 38 . 1 . 1 5 5 CYS HB2 H 1 3.139 0.013 . 2 . . 270 . . 5 CYS HB2 . 50027 1 39 . 1 . 1 5 5 CYS HB3 H 1 2.505 0.013 . 2 . . 271 . . 5 CYS HB3 . 50027 1 40 . 1 . 1 5 5 CYS C C 13 175.810 0.007 . 1 . . 187 . . 5 CYS C . 50027 1 41 . 1 . 1 5 5 CYS CA C 13 52.632 0.035 . 1 . . 125 . . 5 CYS CA . 50027 1 42 . 1 . 1 5 5 CYS CB C 13 35.660 0.013 . 1 . . 124 . . 5 CYS CB . 50027 1 43 . 1 . 1 5 5 CYS N N 15 123.859 0.031 . 1 . . 189 . . 5 CYS N . 50027 1 44 . 1 . 1 6 6 SER H H 1 8.000 0.002 . 1 . . 7 . . 6 SER H . 50027 1 45 . 1 . 1 6 6 SER HA H 1 4.402 0.009 . 1 . . 222 . . 6 SER HA . 50027 1 46 . 1 . 1 6 6 SER HB2 H 1 3.762 0.003 . 2 . . 282 . . 6 SER HB2 . 50027 1 47 . 1 . 1 6 6 SER HB3 H 1 3.137 0.006 . 2 . . 283 . . 6 SER HB3 . 50027 1 48 . 1 . 1 6 6 SER CA C 13 59.698 0.013 . 1 . . 122 . . 6 SER CA . 50027 1 49 . 1 . 1 6 6 SER CB C 13 63.260 0.031 . 1 . . 123 . . 6 SER CB . 50027 1 50 . 1 . 1 6 6 SER N N 15 121.242 0.007 . 1 . . 8 . . 6 SER N . 50027 1 51 . 1 . 1 7 7 GLY H H 1 8.402 0.003 . 1 . . 13 . . 7 GLY H . 50027 1 52 . 1 . 1 7 7 GLY HA2 H 1 4.356 0.008 . 2 . . 213 . . 7 GLY HA2 . 50027 1 53 . 1 . 1 7 7 GLY HA3 H 1 3.654 0.008 . 2 . . 273 . . 7 GLY HA3 . 50027 1 54 . 1 . 1 7 7 GLY C C 13 173.414 . . 1 . . 186 . . 7 GLY C . 50027 1 55 . 1 . 1 7 7 GLY CA C 13 45.172 0.038 . 1 . . 121 . . 7 GLY CA . 50027 1 56 . 1 . 1 7 7 GLY N N 15 112.830 0.013 . 1 . . 14 . . 7 GLY N . 50027 1 57 . 1 . 1 8 8 SER H H 1 7.918 0.003 . 1 . . 23 . . 8 SER H . 50027 1 58 . 1 . 1 8 8 SER HA H 1 4.595 0.012 . 1 . . 219 . . 8 SER HA . 50027 1 59 . 1 . 1 8 8 SER HB2 H 1 4.335 0.017 . 2 . . 287 . . 8 SER HB2 . 50027 1 60 . 1 . 1 8 8 SER HB3 H 1 4.036 0.008 . 2 . . 288 . . 8 SER HB3 . 50027 1 61 . 1 . 1 8 8 SER C C 13 175.005 0.033 . 1 . . 185 . . 8 SER C . 50027 1 62 . 1 . 1 8 8 SER CA C 13 57.640 0.044 . 1 . . 183 . . 8 SER CA . 50027 1 63 . 1 . 1 8 8 SER CB C 13 65.698 0.05 . 1 . . 184 . . 8 SER CB . 50027 1 64 . 1 . 1 8 8 SER N N 15 116.380 0.079 . 1 . . 24 . . 8 SER N . 50027 1 65 . 1 . 1 9 9 THR H H 1 8.886 0.009 . 1 . . 228 . . 9 THR H . 50027 1 66 . 1 . 1 9 9 THR HA H 1 4.554 0.002 . 1 . . 260 . . 9 THR HA . 50027 1 67 . 1 . 1 9 9 THR HB H 1 3.651 0.001 . 1 . . 333 . . 9 THR HB . 50027 1 68 . 1 . 1 9 9 THR HG21 H 1 1.322 0.023 . 1 . . 258 . . 9 THR HG1 . 50027 1 69 . 1 . 1 9 9 THR HG22 H 1 1.322 0.023 . 1 . . 258 . . 9 THR HG1 . 50027 1 70 . 1 . 1 9 9 THR HG23 H 1 1.322 0.023 . 1 . . 258 . . 9 THR HG1 . 50027 1 71 . 1 . 1 9 9 THR C C 13 175.766 . . 1 . . 120 . . 9 THR C . 50027 1 72 . 1 . 1 9 9 THR CA C 13 65.528 . . 1 . . 118 . . 9 THR CA . 50027 1 73 . 1 . 1 9 9 THR CB C 13 68.710 0.008 . 1 . . 119 . . 9 THR CB . 50027 1 74 . 1 . 1 9 9 THR CG2 C 13 22.364 . . 1 . . 294 . . 9 THR CG2 . 50027 1 75 . 1 . 1 9 9 THR N N 15 117.944 0.0 . 1 . . 229 . . 9 THR N . 50027 1 76 . 1 . 1 10 10 ALA H H 1 8.134 0.006 . 1 . . 45 . . 10 ALA H . 50027 1 77 . 1 . 1 10 10 ALA HA H 1 4.066 0.008 . 1 . . 278 . . 10 ALA HA . 50027 1 78 . 1 . 1 10 10 ALA HB1 H 1 1.361 0.017 . 1 . . 279 . . 10 ALA HB1 . 50027 1 79 . 1 . 1 10 10 ALA HB2 H 1 1.361 0.017 . 1 . . 279 . . 10 ALA HB2 . 50027 1 80 . 1 . 1 10 10 ALA HB3 H 1 1.361 0.017 . 1 . . 279 . . 10 ALA HB3 . 50027 1 81 . 1 . 1 10 10 ALA C C 13 181.214 0.042 . 1 . . 117 . . 10 ALA C . 50027 1 82 . 1 . 1 10 10 ALA CA C 13 55.332 0.013 . 1 . . 114 . . 10 ALA CA . 50027 1 83 . 1 . 1 10 10 ALA CB C 13 17.942 0.029 . 1 . . 112 . . 10 ALA CB . 50027 1 84 . 1 . 1 10 10 ALA N N 15 124.172 0.007 . 1 . . 46 . . 10 ALA N . 50027 1 85 . 1 . 1 11 11 VAL H H 1 7.582 0.003 . 1 . . 5 . . 11 VAL H . 50027 1 86 . 1 . 1 11 11 VAL HA H 1 3.555 0.017 . 1 . . 226 . . 11 VAL HA . 50027 1 87 . 1 . 1 11 11 VAL HB H 1 2.318 0.023 . 1 . . 247 . . 11 VAL HB . 50027 1 88 . 1 . 1 11 11 VAL HG11 H 1 1.043 0.013 . 2 . . 248 . . 11 VAL HG11 . 50027 1 89 . 1 . 1 11 11 VAL HG12 H 1 1.043 0.013 . 2 . . 248 . . 11 VAL HG12 . 50027 1 90 . 1 . 1 11 11 VAL HG13 H 1 1.043 0.013 . 2 . . 248 . . 11 VAL HG13 . 50027 1 91 . 1 . 1 11 11 VAL HG21 H 1 0.916 0.01 . 2 . . 249 . . 11 VAL HG21 . 50027 1 92 . 1 . 1 11 11 VAL HG22 H 1 0.916 0.01 . 2 . . 249 . . 11 VAL HG22 . 50027 1 93 . 1 . 1 11 11 VAL HG23 H 1 0.916 0.01 . 2 . . 249 . . 11 VAL HG23 . 50027 1 94 . 1 . 1 11 11 VAL C C 13 178.214 0.006 . 1 . . 116 . . 11 VAL C . 50027 1 95 . 1 . 1 11 11 VAL CA C 13 66.651 0.061 . 1 . . 115 . . 11 VAL CA . 50027 1 96 . 1 . 1 11 11 VAL CB C 13 31.471 0.022 . 1 . . 113 . . 11 VAL CB . 50027 1 97 . 1 . 1 11 11 VAL CG1 C 13 22.860 0.001 . 2 . . 296 . . 11 VAL CG1 . 50027 1 98 . 1 . 1 11 11 VAL CG2 C 13 21.309 0.001 . 2 . . 308 . . 11 VAL CG2 . 50027 1 99 . 1 . 1 11 11 VAL N N 15 120.032 0.002 . 1 . . 6 . . 11 VAL N . 50027 1 100 . 1 . 1 12 12 ALA H H 1 8.778 0.002 . 1 . . 29 . . 12 ALA H . 50027 1 101 . 1 . 1 12 12 ALA HB1 H 1 2.066 0.003 . 1 . . 310 . . 12 ALA HB1 . 50027 1 102 . 1 . 1 12 12 ALA HB2 H 1 2.066 0.003 . 1 . . 310 . . 12 ALA HB2 . 50027 1 103 . 1 . 1 12 12 ALA HB3 H 1 2.066 0.003 . 1 . . 310 . . 12 ALA HB3 . 50027 1 104 . 1 . 1 12 12 ALA C C 13 176.879 0.013 . 1 . . 145 . . 12 ALA C . 50027 1 105 . 1 . 1 12 12 ALA CA C 13 72.252 . . 1 . . 144 . . 12 ALA CA . 50027 1 106 . 1 . 1 12 12 ALA CB C 13 28.680 0.019 . 1 . . 143 . . 12 ALA CB . 50027 1 107 . 1 . 1 12 12 ALA N N 15 131.056 0.005 . 1 . . 30 . . 12 ALA N . 50027 1 108 . 1 . 1 13 13 ASN H H 1 8.631 0.009 . 1 . . 65 . . 13 ASN H . 50027 1 109 . 1 . 1 13 13 ASN HA H 1 4.535 0.014 . 1 . . 220 . . 13 ASN HA . 50027 1 110 . 1 . 1 13 13 ASN HB2 H 1 2.897 0.012 . 1 . . 272 . . 13 ASN HB2 . 50027 1 111 . 1 . 1 13 13 ASN HD21 H 1 6.975 0.004 . 1 . . 340 . . 13 ASN HD21 . 50027 1 112 . 1 . 1 13 13 ASN HD22 H 1 7.637 0.003 . 1 . . 341 . . 13 ASN HD22 . 50027 1 113 . 1 . 1 13 13 ASN C C 13 177.488 . . 1 . . 140 . . 13 ASN C . 50027 1 114 . 1 . 1 13 13 ASN CA C 13 55.558 0.019 . 1 . . 142 . . 13 ASN CA . 50027 1 115 . 1 . 1 13 13 ASN CB C 13 37.579 0.006 . 1 . . 141 . . 13 ASN CB . 50027 1 116 . 1 . 1 13 13 ASN N N 15 114.650 0.002 . 1 . . 66 . . 13 ASN N . 50027 1 117 . 1 . 1 13 13 ASN ND2 N 15 111.881 0.0 . 1 . . 342 . . 13 ASN ND2 . 50027 1 118 . 1 . 1 14 14 SER H H 1 7.775 0.002 . 1 . . 49 . . 14 SER H . 50027 1 119 . 1 . 1 14 14 SER HA H 1 4.203 0.019 . 1 . . 214 . . 14 SER HA . 50027 1 120 . 1 . 1 14 14 SER HB2 H 1 3.762 0.013 . 1 . . 264 . . 14 SER HB2 . 50027 1 121 . 1 . 1 14 14 SER C C 13 174.404 0.024 . 1 . . 135 . . 14 SER C . 50027 1 122 . 1 . 1 14 14 SER CA C 13 60.938 0.029 . 1 . . 138 . . 14 SER CA . 50027 1 123 . 1 . 1 14 14 SER CB C 13 62.479 0.014 . 1 . . 139 . . 14 SER CB . 50027 1 124 . 1 . 1 14 14 SER N N 15 117.615 0.002 . 1 . . 50 . . 14 SER N . 50027 1 125 . 1 . 1 15 15 HIS H H 1 7.103 0.014 . 1 . . 73 . . 15 HIS H . 50027 1 126 . 1 . 1 15 15 HIS HA H 1 4.319 0.012 . 1 . . 223 . . 15 HIS HA . 50027 1 127 . 1 . 1 15 15 HIS HB2 H 1 3.069 0.022 . 2 . . 290 . . 15 HIS HB2 . 50027 1 128 . 1 . 1 15 15 HIS HB3 H 1 2.915 0.016 . 2 . . 291 . . 15 HIS HB3 . 50027 1 129 . 1 . 1 15 15 HIS HD2 H 1 6.976 . . 1 . . 366 . . 15 HIS HD2 . 50027 1 130 . 1 . 1 15 15 HIS HE1 H 1 7.519 . . 1 . . 367 . . 15 HIS HE1 . 50027 1 131 . 1 . 1 15 15 HIS C C 13 172.699 0.016 . 1 . . 134 . . 15 HIS C . 50027 1 132 . 1 . 1 15 15 HIS CA C 13 57.646 0.04 . 1 . . 137 . . 15 HIS CA . 50027 1 133 . 1 . 1 15 15 HIS CB C 13 31.142 0.044 . 1 . . 136 . . 15 HIS CB . 50027 1 134 . 1 . 1 15 15 HIS N N 15 118.005 0.024 . 1 . . 74 . . 15 HIS N . 50027 1 135 . 1 . 1 16 16 ASN H H 1 7.296 0.007 . 1 . . 43 . . 16 ASN H . 50027 1 136 . 1 . 1 16 16 ASN HD21 H 1 6.714 . . 1 . . 368 . . 16 ASN HD21 . 50027 1 137 . 1 . 1 16 16 ASN HD22 H 1 8.508 . . 1 . . 370 . . 16 ASN HD22 . 50027 1 138 . 1 . 1 16 16 ASN C C 13 172.460 0.04 . 1 . . 128 . . 16 ASN C . 50027 1 139 . 1 . 1 16 16 ASN CA C 13 68.563 0.009 . 1 . . 133 . . 16 ASN CA . 50027 1 140 . 1 . 1 16 16 ASN CB C 13 45.131 0.062 . 1 . . 132 . . 16 ASN CB . 50027 1 141 . 1 . 1 16 16 ASN N N 15 128.931 0.0 . 1 . . 44 . . 16 ASN N . 50027 1 142 . 1 . 1 16 16 ASN ND2 N 15 118.465 . . 1 . . 369 . . 16 ASN ND2 . 50027 1 143 . 1 . 1 17 17 ALA H H 1 9.214 0.005 . 1 . . 63 . . 17 ALA H . 50027 1 144 . 1 . 1 17 17 ALA HA H 1 4.881 0.009 . 1 . . 215 . . 17 ALA HA . 50027 1 145 . 1 . 1 17 17 ALA HB1 H 1 1.349 0.004 . 1 . . 281 . . 17 ALA HB1 . 50027 1 146 . 1 . 1 17 17 ALA HB2 H 1 1.349 0.004 . 1 . . 281 . . 17 ALA HB2 . 50027 1 147 . 1 . 1 17 17 ALA HB3 H 1 1.349 0.004 . 1 . . 281 . . 17 ALA HB3 . 50027 1 148 . 1 . 1 17 17 ALA C C 13 177.573 0.038 . 1 . . 127 . . 17 ALA C . 50027 1 149 . 1 . 1 17 17 ALA CA C 13 51.663 0.058 . 1 . . 131 . . 17 ALA CA . 50027 1 150 . 1 . 1 17 17 ALA CB C 13 20.343 0.022 . 1 . . 130 . . 17 ALA CB . 50027 1 151 . 1 . 1 17 17 ALA N N 15 129.781 0.002 . 1 . . 64 . . 17 ALA N . 50027 1 152 . 1 . 1 18 18 GLY H H 1 8.781 0.004 . 1 . . 27 . . 18 GLY H . 50027 1 153 . 1 . 1 18 18 GLY HA2 H 1 4.504 0.006 . 2 . . 211 . . 18 GLY HA2 . 50027 1 154 . 1 . 1 18 18 GLY HA3 H 1 3.872 0.005 . 2 . . 274 . . 18 GLY HA3 . 50027 1 155 . 1 . 1 18 18 GLY C C 13 173.280 . . 1 . . 126 . . 18 GLY C . 50027 1 156 . 1 . 1 18 18 GLY CA C 13 45.830 0.0 . 1 . . 129 . . 18 GLY CA . 50027 1 157 . 1 . 1 18 18 GLY N N 15 110.054 0.0 . 1 . . 28 . . 18 GLY N . 50027 1 158 . 1 . 1 19 19 PRO C C 13 175.958 . . 1 . . 160 . . 19 PRO C . 50027 1 159 . 1 . 1 19 19 PRO CA C 13 63.862 . . 1 . . 161 . . 19 PRO CA . 50027 1 160 . 1 . 1 19 19 PRO CB C 13 31.204 . . 1 . . 162 . . 19 PRO CB . 50027 1 161 . 1 . 1 20 20 ALA H H 1 8.166 0.002 . 1 . . 37 . . 20 ALA H . 50027 1 162 . 1 . 1 20 20 ALA HA H 1 3.917 0.015 . 1 . . 210 . . 20 ALA HA . 50027 1 163 . 1 . 1 20 20 ALA HB1 H 1 0.806 0.004 . 1 . . 234 . . 20 ALA HB1 . 50027 1 164 . 1 . 1 20 20 ALA HB2 H 1 0.806 0.004 . 1 . . 234 . . 20 ALA HB2 . 50027 1 165 . 1 . 1 20 20 ALA HB3 H 1 0.806 0.004 . 1 . . 234 . . 20 ALA HB3 . 50027 1 166 . 1 . 1 20 20 ALA C C 13 176.937 0.0 . 1 . . 157 . . 20 ALA C . 50027 1 167 . 1 . 1 20 20 ALA CA C 13 52.389 0.025 . 1 . . 158 . . 20 ALA CA . 50027 1 168 . 1 . 1 20 20 ALA CB C 13 18.399 0.004 . 1 . . 159 . . 20 ALA CB . 50027 1 169 . 1 . 1 20 20 ALA N N 15 119.859 0.003 . 1 . . 38 . . 20 ALA N . 50027 1 170 . 1 . 1 21 21 TYR H H 1 7.597 0.003 . 1 . . 55 . . 21 TYR H . 50027 1 171 . 1 . 1 21 21 TYR HA H 1 5.047 0.011 . 1 . . 205 . . 21 TYR HA . 50027 1 172 . 1 . 1 21 21 TYR HB2 H 1 3.045 0.013 . 2 . . 243 . . 21 TYR HB2 . 50027 1 173 . 1 . 1 21 21 TYR HB3 H 1 2.982 0.002 . 2 . . 244 . . 21 TYR HB3 . 50027 1 174 . 1 . 1 21 21 TYR HD1 H 1 7.094 0.002 . 1 . . 343 . . 21 TYR HD1 . 50027 1 175 . 1 . 1 21 21 TYR HD2 H 1 7.094 0.002 . 1 . . 343 . . 21 TYR HD2 . 50027 1 176 . 1 . 1 21 21 TYR HE1 H 1 6.818 0.003 . 1 . . 344 . . 21 TYR HE1 . 50027 1 177 . 1 . 1 21 21 TYR HE2 H 1 6.818 0.003 . 1 . . 344 . . 21 TYR HE2 . 50027 1 178 . 1 . 1 21 21 TYR C C 13 174.607 0.036 . 1 . . 154 . . 21 TYR C . 50027 1 179 . 1 . 1 21 21 TYR CA C 13 56.831 0.028 . 1 . . 156 . . 21 TYR CA . 50027 1 180 . 1 . 1 21 21 TYR CB C 13 42.990 0.011 . 1 . . 155 . . 21 TYR CB . 50027 1 181 . 1 . 1 21 21 TYR N N 15 114.011 0.004 . 1 . . 56 . . 21 TYR N . 50027 1 182 . 1 . 1 22 22 CYS H H 1 9.014 0.002 . 1 . . 17 . . 22 CYS H . 50027 1 183 . 1 . 1 22 22 CYS HA H 1 4.714 0.018 . 1 . . 284 . . 22 CYS HA . 50027 1 184 . 1 . 1 22 22 CYS HB2 H 1 3.278 0.019 . 2 . . 285 . . 22 CYS HB2 . 50027 1 185 . 1 . 1 22 22 CYS HB3 H 1 2.739 0.012 . 2 . . 286 . . 22 CYS HB3 . 50027 1 186 . 1 . 1 22 22 CYS C C 13 173.340 0.012 . 1 . . 151 . . 22 CYS C . 50027 1 187 . 1 . 1 22 22 CYS CA C 13 58.381 0.002 . 1 . . 153 . . 22 CYS CA . 50027 1 188 . 1 . 1 22 22 CYS CB C 13 31.819 0.026 . 1 . . 152 . . 22 CYS CB . 50027 1 189 . 1 . 1 22 22 CYS N N 15 121.215 0.0 . 1 . . 18 . . 22 CYS N . 50027 1 190 . 1 . 1 23 23 VAL H H 1 8.651 0.003 . 1 . . 31 . . 23 VAL H . 50027 1 191 . 1 . 1 23 23 VAL HA H 1 4.314 0.006 . 1 . . 224 . . 23 VAL HA . 50027 1 192 . 1 . 1 23 23 VAL HB H 1 2.448 0.017 . 1 . . 261 . . 23 VAL HB . 50027 1 193 . 1 . 1 23 23 VAL HG11 H 1 1.030 0.01 . 2 . . 262 . . 23 VAL HG11 . 50027 1 194 . 1 . 1 23 23 VAL HG12 H 1 1.030 0.01 . 2 . . 262 . . 23 VAL HG12 . 50027 1 195 . 1 . 1 23 23 VAL HG13 H 1 1.030 0.01 . 2 . . 262 . . 23 VAL HG13 . 50027 1 196 . 1 . 1 23 23 VAL HG21 H 1 0.865 0.009 . 2 . . 263 . . 23 VAL HG21 . 50027 1 197 . 1 . 1 23 23 VAL HG22 H 1 0.865 0.009 . 2 . . 263 . . 23 VAL HG22 . 50027 1 198 . 1 . 1 23 23 VAL HG23 H 1 0.865 0.009 . 2 . . 263 . . 23 VAL HG23 . 50027 1 199 . 1 . 1 23 23 VAL C C 13 174.773 0.022 . 1 . . 150 . . 23 VAL C . 50027 1 200 . 1 . 1 23 23 VAL CA C 13 61.972 0.031 . 1 . . 148 . . 23 VAL CA . 50027 1 201 . 1 . 1 23 23 VAL CB C 13 35.141 0.003 . 1 . . 147 . . 23 VAL CB . 50027 1 202 . 1 . 1 23 23 VAL CG1 C 13 21.771 . . 2 . . 297 . . 23 VAL CG1 . 50027 1 203 . 1 . 1 23 23 VAL CG2 C 13 20.995 0.005 . 2 . . 298 . . 23 VAL CG2 . 50027 1 204 . 1 . 1 23 23 VAL N N 15 125.616 0.007 . 1 . . 32 . . 23 VAL N . 50027 1 205 . 1 . 1 24 24 GLY H H 1 8.807 0.005 . 1 . . 19 . . 24 GLY H . 50027 1 206 . 1 . 1 24 24 GLY HA2 H 1 3.150 0.022 . 2 . . 242 . . 24 GLY HA2 . 50027 1 207 . 1 . 1 24 24 GLY HA3 H 1 5.059 0.007 . 2 . . 275 . . 24 GLY HA3 . 50027 1 208 . 1 . 1 24 24 GLY C C 13 172.084 0.022 . 1 . . 149 . . 24 GLY C . 50027 1 209 . 1 . 1 24 24 GLY CA C 13 43.553 0.017 . 1 . . 146 . . 24 GLY CA . 50027 1 210 . 1 . 1 24 24 GLY N N 15 113.918 0.0 . 1 . . 20 . . 24 GLY N . 50027 1 211 . 1 . 1 25 25 TYR H H 1 8.910 0.005 . 1 . . 47 . . 25 TYR H . 50027 1 212 . 1 . 1 25 25 TYR HA H 1 4.684 0.021 . 1 . . 206 . . 25 TYR HA . 50027 1 213 . 1 . 1 25 25 TYR HB2 H 1 2.202 0.023 . 1 . . 259 . . 25 TYR HB2 . 50027 1 214 . 1 . 1 25 25 TYR HD1 H 1 7.033 0.002 . 1 . . 345 . . 25 TYR HD1 . 50027 1 215 . 1 . 1 25 25 TYR HD2 H 1 7.033 0.002 . 1 . . 345 . . 25 TYR HD2 . 50027 1 216 . 1 . 1 25 25 TYR HE1 H 1 6.777 0.004 . 1 . . 346 . . 25 TYR HE1 . 50027 1 217 . 1 . 1 25 25 TYR HE2 H 1 6.777 0.004 . 1 . . 346 . . 25 TYR HE2 . 50027 1 218 . 1 . 1 25 25 TYR C C 13 176.627 . . 1 . . 180 . . 25 TYR C . 50027 1 219 . 1 . 1 25 25 TYR CA C 13 57.390 0.0 . 1 . . 182 . . 25 TYR CA . 50027 1 220 . 1 . 1 25 25 TYR CB C 13 40.089 0.001 . 1 . . 181 . . 25 TYR CB . 50027 1 221 . 1 . 1 25 25 TYR N N 15 125.128 0.005 . 1 . . 48 . . 25 TYR N . 50027 1 222 . 1 . 1 26 26 CYS HA H 1 5.267 0.002 . 1 . . 363 . . 26 CYS HA . 50027 1 223 . 1 . 1 26 26 CYS HB2 H 1 3.515 0.001 . 2 . . 364 . . 26 CYS HB2 . 50027 1 224 . 1 . 1 26 26 CYS HB3 H 1 3.584 0.001 . 2 . . 365 . . 26 CYS HB3 . 50027 1 225 . 1 . 1 28 28 ASN HA H 1 4.948 0.003 . 1 . . 313 . . 28 ASN HA . 50027 1 226 . 1 . 1 28 28 ASN HB2 H 1 2.926 . . 2 . . 312 . . 28 ASN HB2 . 50027 1 227 . 1 . 1 28 28 ASN HB3 H 1 2.722 0.003 . 2 . . 314 . . 28 ASN HB3 . 50027 1 228 . 1 . 1 28 28 ASN HD21 H 1 6.904 0.002 . 1 . . 357 . . 28 ASN HD21 . 50027 1 229 . 1 . 1 28 28 ASN HD22 H 1 7.593 0.002 . 1 . . 358 . . 28 ASN HD22 . 50027 1 230 . 1 . 1 28 28 ASN C C 13 176.041 . . 1 . . 177 . . 28 ASN C . 50027 1 231 . 1 . 1 28 28 ASN CA C 13 52.160 . . 1 . . 179 . . 28 ASN CA . 50027 1 232 . 1 . 1 28 28 ASN CB C 13 37.729 0.001 . 1 . . 178 . . 28 ASN CB . 50027 1 233 . 1 . 1 28 28 ASN ND2 N 15 112.899 0.009 . 1 . . 361 . . 28 ASN ND2 . 50027 1 234 . 1 . 1 29 29 ASN H H 1 7.978 0.003 . 1 . . 1 . . 29 ASN H . 50027 1 235 . 1 . 1 29 29 ASN HA H 1 4.587 0.009 . 1 . . 208 . . 29 ASN HA . 50027 1 236 . 1 . 1 29 29 ASN HB2 H 1 2.803 0.01 . 2 . . 232 . . 29 ASN HB2 . 50027 1 237 . 1 . 1 29 29 ASN HB3 H 1 2.928 0.008 . 2 . . 233 . . 29 ASN HB3 . 50027 1 238 . 1 . 1 29 29 ASN HD21 H 1 6.856 0.003 . 1 . . 334 . . 29 ASN HD21 . 50027 1 239 . 1 . 1 29 29 ASN HD22 H 1 7.378 0.002 . 1 . . 335 . . 29 ASN HD22 . 50027 1 240 . 1 . 1 29 29 ASN C C 13 175.342 0.018 . 1 . . 174 . . 29 ASN C . 50027 1 241 . 1 . 1 29 29 ASN CA C 13 54.999 0.05 . 1 . . 175 . . 29 ASN CA . 50027 1 242 . 1 . 1 29 29 ASN CB C 13 39.999 0.02 . 1 . . 176 . . 29 ASN CB . 50027 1 243 . 1 . 1 29 29 ASN N N 15 115.765 0.005 . 1 . . 2 . . 29 ASN N . 50027 1 244 . 1 . 1 29 29 ASN ND2 N 15 115.212 0.01 . 1 . . 336 . . 29 ASN ND2 . 50027 1 245 . 1 . 1 30 30 GLY H H 1 8.516 0.003 . 1 . . 53 . . 30 GLY H . 50027 1 246 . 1 . 1 30 30 GLY HA2 H 1 3.779 0.005 . 2 . . 257 . . 30 GLY HA2 . 50027 1 247 . 1 . 1 30 30 GLY HA3 H 1 4.377 0.005 . 2 . . 311 . . 30 GLY HA3 . 50027 1 248 . 1 . 1 30 30 GLY C C 13 173.711 0.024 . 1 . . 172 . . 30 GLY C . 50027 1 249 . 1 . 1 30 30 GLY CA C 13 44.181 0.025 . 1 . . 173 . . 30 GLY CA . 50027 1 250 . 1 . 1 30 30 GLY N N 15 109.894 0.0 . 1 . . 54 . . 30 GLY N . 50027 1 251 . 1 . 1 31 31 VAL H H 1 8.204 0.004 . 1 . . 39 . . 31 VAL H . 50027 1 252 . 1 . 1 31 31 VAL HA H 1 3.511 0.006 . 1 . . 225 . . 31 VAL HA . 50027 1 253 . 1 . 1 31 31 VAL HB H 1 1.988 0.009 . 1 . . 276 . . 31 VAL HB . 50027 1 254 . 1 . 1 31 31 VAL HG11 H 1 0.935 0.014 . 1 . . 277 . . 31 VAL HG11 . 50027 1 255 . 1 . 1 31 31 VAL HG12 H 1 0.935 0.014 . 1 . . 277 . . 31 VAL HG12 . 50027 1 256 . 1 . 1 31 31 VAL HG13 H 1 0.935 0.014 . 1 . . 277 . . 31 VAL HG13 . 50027 1 257 . 1 . 1 31 31 VAL C C 13 176.764 0.018 . 1 . . 169 . . 31 VAL C . 50027 1 258 . 1 . 1 31 31 VAL CA C 13 65.470 0.074 . 1 . . 170 . . 31 VAL CA . 50027 1 259 . 1 . 1 31 31 VAL CB C 13 32.102 0.029 . 1 . . 171 . . 31 VAL CB . 50027 1 260 . 1 . 1 31 31 VAL CG1 C 13 21.711 0.002 . 1 . . 304 . . 31 VAL CG1 . 50027 1 261 . 1 . 1 31 31 VAL N N 15 118.758 0.0 . 1 . . 40 . . 31 VAL N . 50027 1 262 . 1 . 1 32 32 VAL H H 1 8.066 0.003 . 1 . . 67 . . 32 VAL H . 50027 1 263 . 1 . 1 32 32 VAL HA H 1 3.633 0.008 . 1 . . 209 . . 32 VAL HA . 50027 1 264 . 1 . 1 32 32 VAL HB H 1 2.001 0.009 . 1 . . 252 . . 32 VAL HB . 50027 1 265 . 1 . 1 32 32 VAL HG11 H 1 0.994 0.036 . 2 . . 253 . . 32 VAL HG11 . 50027 1 266 . 1 . 1 32 32 VAL HG12 H 1 0.994 0.036 . 2 . . 253 . . 32 VAL HG12 . 50027 1 267 . 1 . 1 32 32 VAL HG13 H 1 0.994 0.036 . 2 . . 253 . . 32 VAL HG13 . 50027 1 268 . 1 . 1 32 32 VAL HG21 H 1 0.888 0.007 . 2 . . 254 . . 32 VAL HG21 . 50027 1 269 . 1 . 1 32 32 VAL HG22 H 1 0.888 0.007 . 2 . . 254 . . 32 VAL HG22 . 50027 1 270 . 1 . 1 32 32 VAL HG23 H 1 0.888 0.007 . 2 . . 254 . . 32 VAL HG23 . 50027 1 271 . 1 . 1 32 32 VAL C C 13 179.862 0.016 . 1 . . 168 . . 32 VAL C . 50027 1 272 . 1 . 1 32 32 VAL CA C 13 66.872 0.024 . 1 . . 166 . . 32 VAL CA . 50027 1 273 . 1 . 1 32 32 VAL CB C 13 30.690 0.018 . 1 . . 167 . . 32 VAL CB . 50027 1 274 . 1 . 1 32 32 VAL CG1 C 13 22.830 0.0 . 2 . . 305 . . 32 VAL CG1 . 50027 1 275 . 1 . 1 32 32 VAL CG2 C 13 21.060 0.0 . 2 . . 306 . . 32 VAL CG2 . 50027 1 276 . 1 . 1 32 32 VAL N N 15 122.172 0.002 . 1 . . 68 . . 32 VAL N . 50027 1 277 . 1 . 1 33 33 THR H H 1 7.940 0.002 . 1 . . 71 . . 33 THR H . 50027 1 278 . 1 . 1 33 33 THR HA H 1 3.850 0.007 . 1 . . 218 . . 33 THR HA . 50027 1 279 . 1 . 1 33 33 THR HB H 1 3.705 0.01 . 1 . . 266 . . 33 THR HB . 50027 1 280 . 1 . 1 33 33 THR HG21 H 1 1.033 0.011 . 1 . . 265 . . 33 THR HG1 . 50027 1 281 . 1 . 1 33 33 THR HG22 H 1 1.033 0.011 . 1 . . 265 . . 33 THR HG1 . 50027 1 282 . 1 . 1 33 33 THR HG23 H 1 1.033 0.011 . 1 . . 265 . . 33 THR HG1 . 50027 1 283 . 1 . 1 33 33 THR C C 13 173.137 . . 1 . . 163 . . 33 THR C . 50027 1 284 . 1 . 1 33 33 THR CA C 13 67.222 0.022 . 1 . . 164 . . 33 THR CA . 50027 1 285 . 1 . 1 33 33 THR CB C 13 68.410 0.054 . 1 . . 165 . . 33 THR CB . 50027 1 286 . 1 . 1 33 33 THR CG2 C 13 21.288 0.002 . 1 . . 293 . . 33 THR CG2 . 50027 1 287 . 1 . 1 33 33 THR N N 15 118.888 0.003 . 1 . . 72 . . 33 THR N . 50027 1 288 . 1 . 1 34 34 ARG H H 1 8.778 0.004 . 1 . . 9 . . 34 ARG H . 50027 1 289 . 1 . 1 34 34 ARG HB2 H 1 2.298 0.011 . 2 . . 318 . . 34 ARG HB2 . 50027 1 290 . 1 . 1 34 34 ARG HB3 H 1 2.011 0.002 . 2 . . 319 . . 34 ARG HB3 . 50027 1 291 . 1 . 1 34 34 ARG HG2 H 1 1.914 0.017 . 2 . . 320 . . 34 ARG HG2 . 50027 1 292 . 1 . 1 34 34 ARG HG3 H 1 1.271 0.005 . 2 . . 321 . . 34 ARG HG3 . 50027 1 293 . 1 . 1 34 34 ARG HD2 H 1 3.206 0.008 . 2 . . 316 . . 34 ARG HD2 . 50027 1 294 . 1 . 1 34 34 ARG HD3 H 1 3.141 0.01 . 2 . . 317 . . 34 ARG HD3 . 50027 1 295 . 1 . 1 34 34 ARG C C 13 175.366 0.006 . 1 . . 109 . . 34 ARG C . 50027 1 296 . 1 . 1 34 34 ARG CA C 13 74.477 0.076 . 1 . . 110 . . 34 ARG CA . 50027 1 297 . 1 . 1 34 34 ARG CB C 13 35.110 0.013 . 1 . . 111 . . 34 ARG CB . 50027 1 298 . 1 . 1 34 34 ARG CG C 13 25.731 0.0 . 1 . . 330 . . 34 ARG CG . 50027 1 299 . 1 . 1 34 34 ARG CD C 13 43.044 0.026 . 1 . . 315 . . 34 ARG CD . 50027 1 300 . 1 . 1 34 34 ARG N N 15 130.011 0.0 . 1 . . 10 . . 34 ARG N . 50027 1 301 . 1 . 1 35 35 ASN H H 1 8.530 0.004 . 1 . . 61 . . 35 ASN H . 50027 1 302 . 1 . 1 35 35 ASN HA H 1 4.350 0.005 . 1 . . 227 . . 35 ASN HA . 50027 1 303 . 1 . 1 35 35 ASN HB2 H 1 2.886 0.01 . 2 . . 230 . . 35 ASN HB2 . 50027 1 304 . 1 . 1 35 35 ASN HB3 H 1 2.780 0.01 . 2 . . 231 . . 35 ASN HB3 . 50027 1 305 . 1 . 1 35 35 ASN HD21 H 1 7.650 0.003 . 1 . . 352 . . 35 ASN HD21 . 50027 1 306 . 1 . 1 35 35 ASN HD22 H 1 7.005 0.004 . 1 . . 354 . . 35 ASN HD22 . 50027 1 307 . 1 . 1 35 35 ASN C C 13 177.375 0.004 . 1 . . 106 . . 35 ASN C . 50027 1 308 . 1 . 1 35 35 ASN CA C 13 55.459 0.022 . 1 . . 108 . . 35 ASN CA . 50027 1 309 . 1 . 1 35 35 ASN CB C 13 37.372 0.025 . 1 . . 107 . . 35 ASN CB . 50027 1 310 . 1 . 1 35 35 ASN N N 15 115.856 0.021 . 1 . . 62 . . 35 ASN N . 50027 1 311 . 1 . 1 35 35 ASN ND2 N 15 112.396 0.005 . 1 . . 353 . . 35 ASN ND2 . 50027 1 312 . 1 . 1 36 36 ALA H H 1 8.128 0.002 . 1 . . 35 . . 36 ALA H . 50027 1 313 . 1 . 1 36 36 ALA HA H 1 4.161 0.01 . 1 . . 212 . . 36 ALA HA . 50027 1 314 . 1 . 1 36 36 ALA HB1 H 1 1.504 0.005 . 1 . . 280 . . 36 ALA HB1 . 50027 1 315 . 1 . 1 36 36 ALA HB2 H 1 1.504 0.005 . 1 . . 280 . . 36 ALA HB2 . 50027 1 316 . 1 . 1 36 36 ALA HB3 H 1 1.504 0.005 . 1 . . 280 . . 36 ALA HB3 . 50027 1 317 . 1 . 1 36 36 ALA C C 13 180.441 0.01 . 1 . . 103 . . 36 ALA C . 50027 1 318 . 1 . 1 36 36 ALA CA C 13 55.491 0.002 . 1 . . 105 . . 36 ALA CA . 50027 1 319 . 1 . 1 36 36 ALA CB C 13 17.410 0.0 . 1 . . 104 . . 36 ALA CB . 50027 1 320 . 1 . 1 36 36 ALA N N 15 126.943 0.002 . 1 . . 36 . . 36 ALA N . 50027 1 321 . 1 . 1 37 37 ASN H H 1 8.379 0.003 . 1 . . 57 . . 37 ASN H . 50027 1 322 . 1 . 1 37 37 ASN HA H 1 4.251 0.011 . 1 . . 207 . . 37 ASN HA . 50027 1 323 . 1 . 1 37 37 ASN HB2 H 1 3.008 0.008 . 2 . . 250 . . 37 ASN HB2 . 50027 1 324 . 1 . 1 37 37 ASN HB3 H 1 2.518 0.011 . 2 . . 251 . . 37 ASN HB3 . 50027 1 325 . 1 . 1 37 37 ASN HD21 H 1 6.132 0.004 . 1 . . 337 . . 37 ASN HD21 . 50027 1 326 . 1 . 1 37 37 ASN HD22 H 1 6.376 0.004 . 1 . . 338 . . 37 ASN HD22 . 50027 1 327 . 1 . 1 37 37 ASN C C 13 177.053 0.004 . 1 . . 100 . . 37 ASN C . 50027 1 328 . 1 . 1 37 37 ASN CA C 13 55.210 0.0 . 1 . . 102 . . 37 ASN CA . 50027 1 329 . 1 . 1 37 37 ASN CB C 13 36.739 0.019 . 1 . . 101 . . 37 ASN CB . 50027 1 330 . 1 . 1 37 37 ASN N N 15 118.457 0.004 . 1 . . 58 . . 37 ASN N . 50027 1 331 . 1 . 1 37 37 ASN ND2 N 15 107.713 0.0 . 1 . . 339 . . 37 ASN ND2 . 50027 1 332 . 1 . 1 38 38 ALA H H 1 7.709 0.004 . 1 . . 11 . . 38 ALA H . 50027 1 333 . 1 . 1 38 38 ALA HA H 1 3.697 0.01 . 1 . . 256 . . 38 ALA HA . 50027 1 334 . 1 . 1 38 38 ALA HB1 H 1 1.522 0.008 . 1 . . 255 . . 38 ALA HB1 . 50027 1 335 . 1 . 1 38 38 ALA HB2 H 1 1.522 0.008 . 1 . . 255 . . 38 ALA HB2 . 50027 1 336 . 1 . 1 38 38 ALA HB3 H 1 1.522 0.008 . 1 . . 255 . . 38 ALA HB3 . 50027 1 337 . 1 . 1 38 38 ALA C C 13 179.077 0.009 . 1 . . 97 . . 38 ALA C . 50027 1 338 . 1 . 1 38 38 ALA CA C 13 55.190 0.001 . 1 . . 98 . . 38 ALA CA . 50027 1 339 . 1 . 1 38 38 ALA CB C 13 17.998 0.031 . 1 . . 99 . . 38 ALA CB . 50027 1 340 . 1 . 1 38 38 ALA N N 15 123.433 0.005 . 1 . . 12 . . 38 ALA N . 50027 1 341 . 1 . 1 39 39 ASN H H 1 8.099 0.003 . 1 . . 33 . . 39 ASN H . 50027 1 342 . 1 . 1 39 39 ASN HA H 1 4.402 0.013 . 1 . . 216 . . 39 ASN HA . 50027 1 343 . 1 . 1 39 39 ASN HB2 H 1 2.825 0.008 . 1 . . 289 . . 39 ASN HB2 . 50027 1 344 . 1 . 1 39 39 ASN HD21 H 1 6.939 0.002 . 1 . . 355 . . 39 ASN HD21 . 50027 1 345 . 1 . 1 39 39 ASN HD22 H 1 7.571 0.002 . 1 . . 356 . . 39 ASN HD22 . 50027 1 346 . 1 . 1 39 39 ASN C C 13 177.906 0.024 . 1 . . 94 . . 39 ASN C . 50027 1 347 . 1 . 1 39 39 ASN CA C 13 56.420 0.028 . 1 . . 95 . . 39 ASN CA . 50027 1 348 . 1 . 1 39 39 ASN CB C 13 38.612 0.021 . 1 . . 96 . . 39 ASN CB . 50027 1 349 . 1 . 1 39 39 ASN N N 15 117.945 0.003 . 1 . . 34 . . 39 ASN N . 50027 1 350 . 1 . 1 39 39 ASN ND2 N 15 113.968 . . 1 . . 362 . . 39 ASN ND2 . 50027 1 351 . 1 . 1 40 40 VAL H H 1 7.973 0.004 . 1 . . 25 . . 40 VAL H . 50027 1 352 . 1 . 1 40 40 VAL HA H 1 3.591 0.01 . 1 . . 201 . . 40 VAL HA . 50027 1 353 . 1 . 1 40 40 VAL HB H 1 2.087 0.013 . 1 . . 239 . . 40 VAL HB . 50027 1 354 . 1 . 1 40 40 VAL HG11 H 1 1.079 0.006 . 2 . . 240 . . 40 VAL HG11 . 50027 1 355 . 1 . 1 40 40 VAL HG12 H 1 1.079 0.006 . 2 . . 240 . . 40 VAL HG12 . 50027 1 356 . 1 . 1 40 40 VAL HG13 H 1 1.079 0.006 . 2 . . 240 . . 40 VAL HG13 . 50027 1 357 . 1 . 1 40 40 VAL HG21 H 1 0.884 0.006 . 2 . . 241 . . 40 VAL HG21 . 50027 1 358 . 1 . 1 40 40 VAL HG22 H 1 0.884 0.006 . 2 . . 241 . . 40 VAL HG22 . 50027 1 359 . 1 . 1 40 40 VAL HG23 H 1 0.884 0.006 . 2 . . 241 . . 40 VAL HG23 . 50027 1 360 . 1 . 1 40 40 VAL C C 13 178.521 0.018 . 1 . . 93 . . 40 VAL C . 50027 1 361 . 1 . 1 40 40 VAL CA C 13 65.989 0.044 . 1 . . 91 . . 40 VAL CA . 50027 1 362 . 1 . 1 40 40 VAL CB C 13 31.502 0.056 . 1 . . 90 . . 40 VAL CB . 50027 1 363 . 1 . 1 40 40 VAL CG1 C 13 22.840 0.0 . 2 . . 307 . . 40 VAL CG1 . 50027 1 364 . 1 . 1 40 40 VAL CG2 C 13 21.259 0.001 . 2 . . 309 . . 40 VAL CG2 . 50027 1 365 . 1 . 1 40 40 VAL N N 15 121.679 0.008 . 1 . . 26 . . 40 VAL N . 50027 1 366 . 1 . 1 41 41 ALA H H 1 7.726 0.002 . 1 . . 41 . . 41 ALA H . 50027 1 367 . 1 . 1 41 41 ALA HA H 1 3.668 0.011 . 1 . . 237 . . 41 ALA HA . 50027 1 368 . 1 . 1 41 41 ALA HB1 H 1 1.257 0.005 . 1 . . 238 . . 41 ALA HB1 . 50027 1 369 . 1 . 1 41 41 ALA HB2 H 1 1.257 0.005 . 1 . . 238 . . 41 ALA HB2 . 50027 1 370 . 1 . 1 41 41 ALA HB3 H 1 1.257 0.005 . 1 . . 238 . . 41 ALA HB3 . 50027 1 371 . 1 . 1 41 41 ALA C C 13 177.990 0.012 . 1 . . 92 . . 41 ALA C . 50027 1 372 . 1 . 1 41 41 ALA CA C 13 55.229 0.041 . 1 . . 89 . . 41 ALA CA . 50027 1 373 . 1 . 1 41 41 ALA CB C 13 19.001 0.023 . 1 . . 88 . . 41 ALA CB . 50027 1 374 . 1 . 1 41 41 ALA N N 15 120.583 0.002 . 1 . . 42 . . 41 ALA N . 50027 1 375 . 1 . 1 42 42 LYS H H 1 8.790 0.005 . 1 . . 21 . . 42 LYS H . 50027 1 376 . 1 . 1 42 42 LYS HB2 H 1 2.394 0.005 . 2 . . 324 . . 42 LYS HB2 . 50027 1 377 . 1 . 1 42 42 LYS HB3 H 1 2.105 0.008 . 2 . . 325 . . 42 LYS HB3 . 50027 1 378 . 1 . 1 42 42 LYS HG2 H 1 1.081 0.003 . 1 . . 327 . . 42 LYS HG2 . 50027 1 379 . 1 . 1 42 42 LYS HD2 H 1 1.748 0.008 . 1 . . 326 . . 42 LYS HD2 . 50027 1 380 . 1 . 1 42 42 LYS HE2 H 1 2.983 0.003 . 1 . . 322 . . 42 LYS HE2 . 50027 1 381 . 1 . 1 42 42 LYS C C 13 175.193 . . 1 . . 85 . . 42 LYS C . 50027 1 382 . 1 . 1 42 42 LYS CA C 13 75.496 0.073 . 1 . . 86 . . 42 LYS CA . 50027 1 383 . 1 . 1 42 42 LYS CB C 13 39.429 0.025 . 1 . . 87 . . 42 LYS CB . 50027 1 384 . 1 . 1 42 42 LYS CG C 13 23.032 . . 1 . . 329 . . 42 LYS CG . 50027 1 385 . 1 . 1 42 42 LYS CD C 13 28.889 0.0 . 1 . . 328 . . 42 LYS CD . 50027 1 386 . 1 . 1 42 42 LYS CE C 13 42.254 0.0 . 1 . . 323 . . 42 LYS CE . 50027 1 387 . 1 . 1 42 42 LYS N N 15 123.860 0.013 . 1 . . 22 . . 42 LYS N . 50027 1 388 . 1 . 1 43 43 THR H H 1 7.051 0.003 . 1 . . 15 . . 43 THR H . 50027 1 389 . 1 . 1 43 43 THR HA H 1 4.251 0.02 . 1 . . 217 . . 43 THR HA . 50027 1 390 . 1 . 1 43 43 THR HB H 1 4.443 0.008 . 1 . . 268 . . 43 THR HB . 50027 1 391 . 1 . 1 43 43 THR HG21 H 1 1.173 0.015 . 1 . . 269 . . 43 THR HG1 . 50027 1 392 . 1 . 1 43 43 THR HG22 H 1 1.173 0.015 . 1 . . 269 . . 43 THR HG1 . 50027 1 393 . 1 . 1 43 43 THR HG23 H 1 1.173 0.015 . 1 . . 269 . . 43 THR HG1 . 50027 1 394 . 1 . 1 43 43 THR C C 13 173.645 0.03 . 1 . . 84 . . 43 THR C . 50027 1 395 . 1 . 1 43 43 THR CA C 13 61.884 0.014 . 1 . . 81 . . 43 THR CA . 50027 1 396 . 1 . 1 43 43 THR CB C 13 69.224 0.043 . 1 . . 82 . . 43 THR CB . 50027 1 397 . 1 . 1 43 43 THR CG2 C 13 21.870 0.0 . 1 . . 292 . . 43 THR CG2 . 50027 1 398 . 1 . 1 43 43 THR N N 15 105.266 0.005 . 1 . . 16 . . 43 THR N . 50027 1 399 . 1 . 1 44 44 ALA H H 1 7.155 0.003 . 1 . . 51 . . 44 ALA H . 50027 1 400 . 1 . 1 44 44 ALA HA H 1 3.886 0.002 . 1 . . 221 . . 44 ALA HA . 50027 1 401 . 1 . 1 44 44 ALA HB1 H 1 1.269 0.002 . 1 . . 267 . . 44 ALA HB1 . 50027 1 402 . 1 . 1 44 44 ALA HB2 H 1 1.269 0.002 . 1 . . 267 . . 44 ALA HB2 . 50027 1 403 . 1 . 1 44 44 ALA HB3 H 1 1.269 0.002 . 1 . . 267 . . 44 ALA HB3 . 50027 1 404 . 1 . 1 44 44 ALA C C 13 182.761 . . 1 . . 83 . . 44 ALA C . 50027 1 405 . 1 . 1 44 44 ALA CA C 13 54.926 . . 1 . . 80 . . 44 ALA CA . 50027 1 406 . 1 . 1 44 44 ALA CB C 13 18.715 0.064 . 1 . . 79 . . 44 ALA CB . 50027 1 407 . 1 . 1 44 44 ALA N N 15 132.531 0.003 . 1 . . 52 . . 44 ALA N . 50027 1 stop_ save_