################################### # 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 50522 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'Fc fragment of mouse immunoglobulin G2b glycoprotein galactosylated (G2) glycoform' _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' . . . 50522 1 2 '2D 1H-13C HSQC' . . . 50522 1 3 '2D 1H-1H COSY' . . . 50522 1 4 '2D 1H-1H TOCSY' . . . 50522 1 5 '2D HCCH COSY' . . . 50522 1 6 '2D HCA(CO)' . . . 50522 1 7 '2D H(CA)CO' . . . 50522 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . 50522 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 3 3 ALA H H 1 8.1137 0.05 . 1 . . . . . 231 ALA H . 50522 1 2 . 1 . 1 3 3 ALA N N 15 125.70 0.05 . 1 . . . . . 231 ALA N . 50522 1 3 . 1 . 1 5 5 ASN H H 1 8.1727 0.05 . 1 . . . . . 233 ASN H . 50522 1 4 . 1 . 1 5 5 ASN N N 15 118.10 0.05 . 1 . . . . . 233 ASN N . 50522 1 5 . 1 . 1 6 6 LEU H H 1 8.0843 0.05 . 1 . . . . . 234 LEU H . 50522 1 6 . 1 . 1 6 6 LEU N N 15 123.59 0.05 . 1 . . . . . 234 LEU N . 50522 1 7 . 1 . 1 7 7 GLU H H 1 8.2906 0.05 . 1 . . . . . 235 GLU H . 50522 1 8 . 1 . 1 7 7 GLU N N 15 122.19 0.05 . 1 . . . . . 235 GLU N . 50522 1 9 . 1 . 1 8 8 GLY H H 1 8.2317 0.05 . 1 . . . . . 236 GLY H . 50522 1 10 . 1 . 1 8 8 GLY N N 15 109.88 0.05 . 1 . . . . . 236 GLY N . 50522 1 11 . 1 . 1 9 9 GLY H H 1 7.9074 0.05 . 1 . . . . . 237 GLY H . 50522 1 12 . 1 . 1 9 9 GLY N N 15 108.97 0.05 . 1 . . . . . 237 GLY N . 50522 1 13 . 1 . 1 11 11 SER H H 1 8.036 0.05 . 1 . . . . . 239 SER H . 50522 1 14 . 1 . 1 11 11 SER N N 15 114.82 0.05 . 1 . . . . . 239 SER N . 50522 1 15 . 1 . 1 12 12 VAL H H 1 7.6662 0.05 . 1 . . . . . 240 VAL H . 50522 1 16 . 1 . 1 12 12 VAL N N 15 121.20 0.05 . 1 . . . . . 240 VAL N . 50522 1 17 . 1 . 1 13 13 PHE H H 1 9.175 0.05 . 1 . . . . . 241 PHE H . 50522 1 18 . 1 . 1 13 13 PHE N N 15 127.11 0.05 . 1 . . . . . 241 PHE N . 50522 1 19 . 1 . 1 14 14 ILE H H 1 8.182 0.05 . 1 . . . . . 242 ILE H . 50522 1 20 . 1 . 1 14 14 ILE N N 15 122.46 0.05 . 1 . . . . . 242 ILE N . 50522 1 21 . 1 . 1 15 15 PHE H H 1 9.193 0.05 . 1 . . . . . 243 PHE H . 50522 1 22 . 1 . 1 15 15 PHE N N 15 123.65 0.05 . 1 . . . . . 243 PHE N . 50522 1 23 . 1 . 1 18 18 ASN H H 1 8.3791 0.05 . 1 . . . . . 246 ASN H . 50522 1 24 . 1 . 1 18 18 ASN N N 15 121.06 0.05 . 1 . . . . . 246 ASN N . 50522 1 25 . 1 . 1 19 19 ILE H H 1 8.5372 0.05 . 1 . . . . . 247 ILE H . 50522 1 26 . 1 . 1 19 19 ILE N N 15 127.47 0.05 . 1 . . . . . 247 ILE N . 50522 1 27 . 1 . 1 20 20 LYS H H 1 7.819 0.05 . 1 . . . . . 248 LYS H . 50522 1 28 . 1 . 1 20 20 LYS N N 15 121.98 0.05 . 1 . . . . . 248 LYS N . 50522 1 29 . 1 . 1 21 21 ASP H H 1 6.696 0.05 . 1 . . . . . 249 ASP H . 50522 1 30 . 1 . 1 21 21 ASP N N 15 114.64 0.05 . 1 . . . . . 249 ASP N . 50522 1 31 . 1 . 1 22 22 VAL H H 1 6.9935 0.05 . 1 . . . . . 250 VAL H . 50522 1 32 . 1 . 1 22 22 VAL N N 15 113.26 0.05 . 1 . . . . . 250 VAL N . 50522 1 33 . 1 . 1 23 23 LEU H H 1 7.377 0.05 . 1 . . . . . 251 LEU H . 50522 1 34 . 1 . 1 23 23 LEU N N 15 115.74 0.05 . 1 . . . . . 251 LEU N . 50522 1 35 . 1 . 1 24 24 MET H H 1 7.422 0.05 . 1 . . . . . 252 MET H . 50522 1 36 . 1 . 1 24 24 MET N N 15 120.49 0.05 . 1 . . . . . 252 MET N . 50522 1 37 . 1 . 1 25 25 ILE H H 1 7.867 0.05 . 1 . . . . . 253 ILE H . 50522 1 38 . 1 . 1 25 25 ILE N N 15 122.91 0.05 . 1 . . . . . 253 ILE N . 50522 1 39 . 1 . 1 26 26 SER H H 1 7.4652 0.05 . 1 . . . . . 254 SER H . 50522 1 40 . 1 . 1 26 26 SER N N 15 112.34 0.05 . 1 . . . . . 254 SER N . 50522 1 41 . 1 . 1 27 27 LEU H H 1 7.701 0.05 . 1 . . . . . 255 LEU H . 50522 1 42 . 1 . 1 27 27 LEU N N 15 124.58 0.05 . 1 . . . . . 255 LEU N . 50522 1 43 . 1 . 1 28 28 THR H H 1 8.113 0.05 . 1 . . . . . 256 THR H . 50522 1 44 . 1 . 1 28 28 THR N N 15 115.62 0.05 . 1 . . . . . 256 THR N . 50522 1 45 . 1 . 1 30 30 LYS H H 1 7.8813 0.05 . 1 . . . . . 258 LYS H . 50522 1 46 . 1 . 1 30 30 LYS N N 15 117.76 0.05 . 1 . . . . . 258 LYS N . 50522 1 47 . 1 . 1 31 31 VAL H H 1 7.9958 0.05 . 1 . . . . . 259 VAL H . 50522 1 48 . 1 . 1 31 31 VAL N N 15 121.48 0.05 . 1 . . . . . 259 VAL N . 50522 1 49 . 1 . 1 32 32 THR H H 1 7.934 0.05 . 1 . . . . . 260 THR H . 50522 1 50 . 1 . 1 32 32 THR N N 15 119.15 0.05 . 1 . . . . . 260 THR N . 50522 1 51 . 1 . 1 33 33 CYS H H 1 9.94 0.05 . 1 . . . . . 261 CYS H . 50522 1 52 . 1 . 1 33 33 CYS N N 15 127.42 0.05 . 1 . . . . . 261 CYS N . 50522 1 53 . 1 . 1 34 34 VAL H H 1 9.502 0.05 . 1 . . . . . 262 VAL H . 50522 1 54 . 1 . 1 34 34 VAL N N 15 126.09 0.05 . 1 . . . . . 262 VAL N . 50522 1 55 . 1 . 1 35 35 VAL H H 1 9.553 0.05 . 1 . . . . . 263 VAL H . 50522 1 56 . 1 . 1 35 35 VAL N N 15 128.43 0.05 . 1 . . . . . 263 VAL N . 50522 1 57 . 1 . 1 36 36 VAL H H 1 8.993 0.05 . 1 . . . . . 264 VAL H . 50522 1 58 . 1 . 1 36 36 VAL N N 15 122 0.05 . 1 . . . . . 264 VAL N . 50522 1 59 . 1 . 1 38 38 VAL H H 1 7.9074 0.05 . 1 . . . . . 266 VAL H . 50522 1 60 . 1 . 1 38 38 VAL N N 15 119.66 0.05 . 1 . . . . . 266 VAL N . 50522 1 61 . 1 . 1 39 39 SER H H 1 8.497 0.05 . 1 . . . . . 267 SER H . 50522 1 62 . 1 . 1 39 39 SER N N 15 122.33 0.05 . 1 . . . . . 267 SER N . 50522 1 63 . 1 . 1 40 40 GLU H H 1 8.6149 0.05 . 1 . . . . . 268 GLU H . 50522 1 64 . 1 . 1 40 40 GLU N N 15 123.66 0.05 . 1 . . . . . 268 GLU N . 50522 1 65 . 1 . 1 41 41 ASP H H 1 7.9074 0.05 . 1 . . . . . 269 ASP H . 50522 1 66 . 1 . 1 41 41 ASP N N 15 116.98 0.05 . 1 . . . . . 269 ASP N . 50522 1 67 . 1 . 1 42 42 ASP H H 1 7.196 0.05 . 1 . . . . . 270 ASP H . 50522 1 68 . 1 . 1 42 42 ASP N N 15 117.31 0.05 . 1 . . . . . 270 ASP N . 50522 1 69 . 1 . 1 44 44 ASP H H 1 7.7305 0.05 . 1 . . . . . 272 ASP H . 50522 1 70 . 1 . 1 44 44 ASP N N 15 121.41 0.05 . 1 . . . . . 272 ASP N . 50522 1 71 . 1 . 1 45 45 VAL H H 1 7.9074 0.05 . 1 . . . . . 273 VAL H . 50522 1 72 . 1 . 1 45 45 VAL N N 15 123.17 0.05 . 1 . . . . . 273 VAL N . 50522 1 73 . 1 . 1 47 47 ILE H H 1 8.4603 0.05 . 1 . . . . . 275 ILE H . 50522 1 74 . 1 . 1 47 47 ILE N N 15 126.49 0.05 . 1 . . . . . 275 ILE N . 50522 1 75 . 1 . 1 48 48 SER H H 1 9.066 0.05 . 1 . . . . . 276 SER H . 50522 1 76 . 1 . 1 48 48 SER N N 15 124.55 0.05 . 1 . . . . . 276 SER N . 50522 1 77 . 1 . 1 49 49 TRP H H 1 8.422 0.05 . 1 . . . . . 277 TRP H . 50522 1 78 . 1 . 1 49 49 TRP N N 15 123.22 0.05 . 1 . . . . . 277 TRP N . 50522 1 79 . 1 . 1 50 50 PHE H H 1 9.3224 0.05 . 1 . . . . . 278 PHE H . 50522 1 80 . 1 . 1 50 50 PHE N N 15 117.12 0.05 . 1 . . . . . 278 PHE N . 50522 1 81 . 1 . 1 51 51 VAL H H 1 8.8212 0.05 . 1 . . . . . 279 VAL H . 50522 1 82 . 1 . 1 51 51 VAL N N 15 122.12 0.05 . 1 . . . . . 279 VAL N . 50522 1 83 . 1 . 1 52 52 ASN H H 1 9.6467 0.05 . 1 . . . . . 280 ASN H . 50522 1 84 . 1 . 1 52 52 ASN N N 15 131.19 0.05 . 1 . . . . . 280 ASN N . 50522 1 85 . 1 . 1 53 53 ASN H H 1 9.175 0.05 . 1 . . . . . 281 ASN H . 50522 1 86 . 1 . 1 53 53 ASN N N 15 108.83 0.05 . 1 . . . . . 281 ASN N . 50522 1 87 . 1 . 1 54 54 VAL H H 1 7.7895 0.05 . 1 . . . . . 282 VAL H . 50522 1 88 . 1 . 1 54 54 VAL N N 15 123.52 0.05 . 1 . . . . . 282 VAL N . 50522 1 89 . 1 . 1 55 55 GLU H H 1 8.7328 0.05 . 1 . . . . . 283 GLU H . 50522 1 90 . 1 . 1 55 55 GLU N N 15 130.56 0.05 . 1 . . . . . 283 GLU N . 50522 1 91 . 1 . 1 56 56 VAL H H 1 7.9958 0.05 . 1 . . . . . 284 VAL H . 50522 1 92 . 1 . 1 56 56 VAL N N 15 119.94 0.05 . 1 . . . . . 284 VAL N . 50522 1 93 . 1 . 1 58 58 THR H H 1 7.023 0.05 . 1 . . . . . 286 THR H . 50522 1 94 . 1 . 1 58 58 THR N N 15 107.84 0.05 . 1 . . . . . 286 THR N . 50522 1 95 . 1 . 1 59 59 ALA H H 1 7.91 0.05 . 1 . . . . . 287 ALA H . 50522 1 96 . 1 . 1 59 59 ALA N N 15 124.29 0.05 . 1 . . . . . 287 ALA N . 50522 1 97 . 1 . 1 60 60 GLN H H 1 8.4085 0.05 . 1 . . . . . 288 GLN H . 50522 1 98 . 1 . 1 60 60 GLN N N 15 120.29 0.05 . 1 . . . . . 288 GLN N . 50522 1 99 . 1 . 1 61 61 THR H H 1 8.7033 0.05 . 1 . . . . . 289 THR H . 50522 1 100 . 1 . 1 61 61 THR N N 15 123.24 0.05 . 1 . . . . . 289 THR N . 50522 1 101 . 1 . 1 62 62 GLN H H 1 9.0866 0.05 . 1 . . . . . 290 GLN H . 50522 1 102 . 1 . 1 62 62 GLN N N 15 126.34 0.05 . 1 . . . . . 290 GLN N . 50522 1 103 . 1 . 1 63 63 THR H H 1 8.4085 0.05 . 1 . . . . . 291 THR H . 50522 1 104 . 1 . 1 63 63 THR N N 15 118.67 0.05 . 1 . . . . . 291 THR N . 50522 1 105 . 1 . 1 64 64 HIS H H 1 9.3519 0.05 . 1 . . . . . 292 HIS H . 50522 1 106 . 1 . 1 64 64 HIS N N 15 124.86 0.05 . 1 . . . . . 292 HIS N . 50522 1 107 . 1 . 1 65 65 ARG H H 1 8.5542 0.05 . 1 . . . . . 293 ARG H . 50522 1 108 . 1 . 1 65 65 ARG N N 15 124.66 0.05 . 1 . . . . . 293 ARG N . 50522 1 109 . 1 . 1 66 66 GLU H H 1 9.174 0.05 . 1 . . . . . 294 GLU H . 50522 1 110 . 1 . 1 66 66 GLU N N 15 129.53 0.05 . 1 . . . . . 294 GLU N . 50522 1 111 . 1 . 1 67 67 ASP H H 1 8.3710 0.05 . 1 . . . . . 295 ASP H . 50522 1 112 . 1 . 1 67 67 ASP N N 15 126.87 0.05 . 1 . . . . . 295 ASP N . 50522 1 113 . 1 . 1 68 68 TYR H H 1 9.525 0.05 . 1 . . . . . 296 TYR H . 50522 1 114 . 1 . 1 68 68 TYR N N 15 121.38 0.05 . 1 . . . . . 296 TYR N . 50522 1 115 . 1 . 1 69 69 ASN H H 1 6.873 0.05 . 1 . . . . . 297 ASN H . 50522 1 116 . 1 . 1 69 69 ASN N N 15 109.77 0.05 . 1 . . . . . 297 ASN N . 50522 1 117 . 1 . 1 70 70 SER H H 1 7.6923 0.05 . 1 . . . . . 298 SER H . 50522 1 118 . 1 . 1 70 70 SER N N 15 111.60 0.05 . 1 . . . . . 298 SER N . 50522 1 119 . 1 . 1 71 71 THR H H 1 7.753 0.05 . 1 . . . . . 299 THR H . 50522 1 120 . 1 . 1 71 71 THR N N 15 107.41 0.05 . 1 . . . . . 299 THR N . 50522 1 121 . 1 . 1 72 72 ILE H H 1 8.7328 0.05 . 1 . . . . . 300 ILE H . 50522 1 122 . 1 . 1 72 72 ILE N N 15 121.34 0.05 . 1 . . . . . 300 ILE N . 50522 1 123 . 1 . 1 73 73 ARG H H 1 8.8507 0.05 . 1 . . . . . 301 ARG H . 50522 1 124 . 1 . 1 73 73 ARG N N 15 126.48 0.05 . 1 . . . . . 301 ARG N . 50522 1 125 . 1 . 1 74 74 VAL H H 1 9.3519 0.05 . 1 . . . . . 302 VAL H . 50522 1 126 . 1 . 1 74 74 VAL N N 15 127.04 0.05 . 1 . . . . . 302 VAL N . 50522 1 127 . 1 . 1 75 75 VAL H H 1 9.174 0.05 . 1 . . . . . 303 VAL H . 50522 1 128 . 1 . 1 75 75 VAL N N 15 127.05 0.05 . 1 . . . . . 303 VAL N . 50522 1 129 . 1 . 1 76 76 SER H H 1 9.4993 0.05 . 1 . . . . . 304 SER H . 50522 1 130 . 1 . 1 76 76 SER N N 15 124.23 0.05 . 1 . . . . . 304 SER N . 50522 1 131 . 1 . 1 77 77 THR H H 1 9.109 0.05 . 1 . . . . . 305 THR H . 50522 1 132 . 1 . 1 77 77 THR N N 15 123.63 0.05 . 1 . . . . . 305 THR N . 50522 1 133 . 1 . 1 78 78 LEU H H 1 8.7576 0.05 . 1 . . . . . 306 LEU H . 50522 1 134 . 1 . 1 78 78 LEU N N 15 130.06 0.05 . 1 . . . . . 306 LEU N . 50522 1 135 . 1 . 1 80 80 ILE H H 1 7.9369 0.05 . 1 . . . . . 308 ILE H . 50522 1 136 . 1 . 1 80 80 ILE N N 15 117.62 0.05 . 1 . . . . . 308 ILE N . 50522 1 137 . 1 . 1 81 81 GLN H H 1 8.9097 0.05 . 1 . . . . . 309 GLN H . 50522 1 138 . 1 . 1 81 81 GLN N N 15 118.60 0.05 . 1 . . . . . 309 GLN N . 50522 1 139 . 1 . 1 83 83 GLN H H 1 9.2929 0.05 . 1 . . . . . 311 GLN H . 50522 1 140 . 1 . 1 83 83 GLN N N 15 115.58 0.05 . 1 . . . . . 311 GLN N . 50522 1 141 . 1 . 1 84 84 ASP H H 1 7.4357 0.05 . 1 . . . . . 312 ASP H . 50522 1 142 . 1 . 1 84 84 ASP N N 15 121.41 0.05 . 1 . . . . . 312 ASP N . 50522 1 143 . 1 . 1 85 85 TRP H H 1 7.343 0.05 . 1 . . . . . 313 TRP H . 50522 1 144 . 1 . 1 85 85 TRP N N 15 118.51 0.05 . 1 . . . . . 313 TRP N . 50522 1 145 . 1 . 1 86 86 MET H H 1 8.004 0.05 . 1 . . . . . 314 MET H . 50522 1 146 . 1 . 1 86 86 MET N N 15 113.31 0.05 . 1 . . . . . 314 MET N . 50522 1 147 . 1 . 1 87 87 SER H H 1 7.9074 0.05 . 1 . . . . . 315 SER H . 50522 1 148 . 1 . 1 87 87 SER N N 15 111.64 0.05 . 1 . . . . . 315 SER N . 50522 1 149 . 1 . 1 88 88 GLY H H 1 7.5242 0.05 . 1 . . . . . 316 GLY H . 50522 1 150 . 1 . 1 88 88 GLY N N 15 108.90 0.05 . 1 . . . . . 316 GLY N . 50522 1 151 . 1 . 1 89 89 LYS H H 1 7.1409 0.05 . 1 . . . . . 317 LYS H . 50522 1 152 . 1 . 1 89 89 LYS N N 15 117.90 0.05 . 1 . . . . . 317 LYS N . 50522 1 153 . 1 . 1 90 90 GLU H H 1 8.0253 0.05 . 1 . . . . . 318 GLU H . 50522 1 154 . 1 . 1 90 90 GLU N N 15 118.67 0.05 . 1 . . . . . 318 GLU N . 50522 1 155 . 1 . 1 91 91 PHE H H 1 8.9686 0.05 . 1 . . . . . 319 PHE H . 50522 1 156 . 1 . 1 91 91 PHE N N 15 127.32 0.05 . 1 . . . . . 319 PHE N . 50522 1 157 . 1 . 1 92 92 LYS H H 1 9.2929 0.05 . 1 . . . . . 320 LYS H . 50522 1 158 . 1 . 1 92 92 LYS N N 15 124.51 0.05 . 1 . . . . . 320 LYS N . 50522 1 159 . 1 . 1 93 93 CYS H H 1 8.7328 0.05 . 1 . . . . . 321 CYS H . 50522 1 160 . 1 . 1 93 93 CYS N N 15 124.09 0.05 . 1 . . . . . 321 CYS N . 50522 1 161 . 1 . 1 94 94 LYS H H 1 8.9981 0.05 . 1 . . . . . 322 LYS H . 50522 1 162 . 1 . 1 94 94 LYS N N 15 126.34 0.05 . 1 . . . . . 322 LYS N . 50522 1 163 . 1 . 1 95 95 VAL H H 1 9.2045 0.05 . 1 . . . . . 323 VAL H . 50522 1 164 . 1 . 1 95 95 VAL N N 15 127.95 0.05 . 1 . . . . . 323 VAL N . 50522 1 165 . 1 . 1 96 96 ASN H H 1 8.8212 0.05 . 1 . . . . . 324 ASN H . 50522 1 166 . 1 . 1 96 96 ASN N N 15 123.95 0.05 . 1 . . . . . 324 ASN N . 50522 1 167 . 1 . 1 97 97 ASN H H 1 7.9439 0.05 . 1 . . . . . 325 ASN H . 50522 1 168 . 1 . 1 97 97 ASN N N 15 120.01 0.05 . 1 . . . . . 325 ASN N . 50522 1 169 . 1 . 1 98 98 LYS H H 1 8.569 0.05 . 1 . . . . . 326 LYS H . 50522 1 170 . 1 . 1 98 98 LYS N N 15 121.07 0.05 . 1 . . . . . 326 LYS N . 50522 1 171 . 1 . 1 99 99 ASP H H 1 7.9074 0.05 . 1 . . . . . 327 ASP H . 50522 1 172 . 1 . 1 99 99 ASP N N 15 117.97 0.05 . 1 . . . . . 327 ASP N . 50522 1 173 . 1 . 1 100 100 LEU H H 1 7.4947 0.05 . 1 . . . . . 328 LEU H . 50522 1 174 . 1 . 1 100 100 LEU N N 15 121.91 0.05 . 1 . . . . . 328 LEU N . 50522 1 175 . 1 . 1 102 102 SER H H 1 7.1409 0.05 . 1 . . . . . 330 SER H . 50522 1 176 . 1 . 1 102 102 SER N N 15 111.50 0.05 . 1 . . . . . 330 SER N . 50522 1 177 . 1 . 1 104 104 ILE H H 1 8.438 0.05 . 1 . . . . . 332 ILE H . 50522 1 178 . 1 . 1 104 104 ILE N N 15 122.96 0.05 . 1 . . . . . 332 ILE N . 50522 1 179 . 1 . 1 105 105 GLU H H 1 8.3664 0.05 . 1 . . . . . 333 GLU H . 50522 1 180 . 1 . 1 105 105 GLU N N 15 125.13 0.05 . 1 . . . . . 333 GLU N . 50522 1 181 . 1 . 1 106 106 ARG H H 1 8.6444 0.05 . 1 . . . . . 334 ARG H . 50522 1 182 . 1 . 1 106 106 ARG N N 15 122.89 0.05 . 1 . . . . . 334 ARG N . 50522 1 183 . 1 . 1 107 107 THR H H 1 8.192 0.05 . 1 . . . . . 335 THR H . 50522 1 184 . 1 . 1 107 107 THR N N 15 113.64 0.05 . 1 . . . . . 335 THR N . 50522 1 185 . 1 . 1 108 108 ILE H H 1 9.3519 0.05 . 1 . . . . . 336 ILE H . 50522 1 186 . 1 . 1 108 108 ILE N N 15 123.17 0.05 . 1 . . . . . 336 ILE N . 50522 1 187 . 1 . 1 109 109 SER H H 1 7.4357 0.05 . 1 . . . . . 337 SER H . 50522 1 188 . 1 . 1 109 109 SER N N 15 116.56 0.05 . 1 . . . . . 337 SER N . 50522 1 189 . 1 . 1 110 110 LYS H H 1 8.6149 0.05 . 1 . . . . . 338 LYS H . 50522 1 190 . 1 . 1 110 110 LYS N N 15 125.49 0.05 . 1 . . . . . 338 LYS N . 50522 1 191 . 1 . 1 111 111 ILE H H 1 8.2611 0.05 . 1 . . . . . 339 ILE H . 50522 1 192 . 1 . 1 111 111 ILE N N 15 129.08 0.05 . 1 . . . . . 339 ILE N . 50522 1 193 . 1 . 1 112 112 LYS H H 1 8.2906 0.05 . 1 . . . . . 340 LYS H . 50522 1 194 . 1 . 1 112 112 LYS N N 15 129.71 0.05 . 1 . . . . . 340 LYS N . 50522 1 195 . 1 . 1 113 113 GLY H H 1 7.7305 0.05 . 1 . . . . . 341 GLY H . 50522 1 196 . 1 . 1 113 113 GLY N N 15 111.78 0.05 . 1 . . . . . 341 GLY N . 50522 1 197 . 1 . 1 114 114 LEU H H 1 7.9369 0.05 . 1 . . . . . 342 LEU H . 50522 1 198 . 1 . 1 114 114 LEU N N 15 123.95 0.05 . 1 . . . . . 342 LEU N . 50522 1 199 . 1 . 1 115 115 VAL H H 1 8.0548 0.05 . 1 . . . . . 343 VAL H . 50522 1 200 . 1 . 1 115 115 VAL N N 15 125.28 0.05 . 1 . . . . . 343 VAL N . 50522 1 201 . 1 . 1 116 116 ARG H H 1 9.3224 0.05 . 1 . . . . . 344 ARG H . 50522 1 202 . 1 . 1 116 116 ARG N N 15 128.80 0.05 . 1 . . . . . 344 ARG N . 50522 1 203 . 1 . 1 117 117 ALA H H 1 8.4603 0.05 . 1 . . . . . 345 ALA H . 50522 1 204 . 1 . 1 117 117 ALA N N 15 126.49 0.05 . 1 . . . . . 345 ALA N . 50522 1 205 . 1 . 1 119 119 GLN H H 1 8.3791 0.05 . 1 . . . . . 347 GLN H . 50522 1 206 . 1 . 1 119 119 GLN N N 15 117.41 0.05 . 1 . . . . . 347 GLN N . 50522 1 207 . 1 . 1 120 120 VAL H H 1 7.5242 0.05 . 1 . . . . . 348 VAL H . 50522 1 208 . 1 . 1 120 120 VAL N N 15 121.48 0.05 . 1 . . . . . 348 VAL N . 50522 1 209 . 1 . 1 121 121 TYR H H 1 9.001 0.05 . 1 . . . . . 349 TYR H . 50522 1 210 . 1 . 1 121 121 TYR N N 15 124.5 0.05 . 1 . . . . . 349 TYR N . 50522 1 211 . 1 . 1 122 122 ILE H H 1 8.6444 0.05 . 1 . . . . . 350 ILE H . 50522 1 212 . 1 . 1 122 122 ILE N N 15 121.56 0.05 . 1 . . . . . 350 ILE N . 50522 1 213 . 1 . 1 123 123 LEU H H 1 9.4108 0.05 . 1 . . . . . 351 LEU H . 50522 1 214 . 1 . 1 123 123 LEU N N 15 129.92 0.05 . 1 . . . . . 351 LEU N . 50522 1 215 . 1 . 1 127 127 ALA H H 1 8.412 0.05 . 1 . . . . . 355 ALA H . 50522 1 216 . 1 . 1 127 127 ALA N N 15 126.73 0.05 . 1 . . . . . 355 ALA N . 50522 1 217 . 1 . 1 128 128 GLU H H 1 9.262 0.05 . 1 . . . . . 356 GLU H . 50522 1 218 . 1 . 1 128 128 GLU N N 15 115.68 0.05 . 1 . . . . . 356 GLU N . 50522 1 219 . 1 . 1 129 129 GLN H H 1 7.7305 0.05 . 1 . . . . . 357 GLN H . 50522 1 220 . 1 . 1 129 129 GLN N N 15 118.81 0.05 . 1 . . . . . 357 GLN N . 50522 1 221 . 1 . 1 130 130 LEU H H 1 7.1115 0.05 . 1 . . . . . 358 LEU H . 50522 1 222 . 1 . 1 130 130 LEU N N 15 115.58 0.05 . 1 . . . . . 358 LEU N . 50522 1 223 . 1 . 1 131 131 SER H H 1 7.082 0.05 . 1 . . . . . 359 SER H . 50522 1 224 . 1 . 1 131 131 SER N N 15 110.30 0.05 . 1 . . . . . 359 SER N . 50522 1 225 . 1 . 1 132 132 ARG H H 1 7.83 0.05 . 1 . . . . . 360 ARG H . 50522 1 226 . 1 . 1 132 132 ARG N N 15 122.53 0.05 . 1 . . . . . 360 ARG N . 50522 1 227 . 1 . 1 133 133 LYS H H 1 8.2611 0.05 . 1 . . . . . 361 LYS H . 50522 1 228 . 1 . 1 133 133 LYS N N 15 118.39 0.05 . 1 . . . . . 361 LYS N . 50522 1 229 . 1 . 1 134 134 ASP H H 1 7.1115 0.05 . 1 . . . . . 362 ASP H . 50522 1 230 . 1 . 1 134 134 ASP N N 15 118.46 0.05 . 1 . . . . . 362 ASP N . 50522 1 231 . 1 . 1 135 135 VAL H H 1 8.7328 0.05 . 1 . . . . . 363 VAL H . 50522 1 232 . 1 . 1 135 135 VAL N N 15 112.06 0.05 . 1 . . . . . 363 VAL N . 50522 1 233 . 1 . 1 136 136 SER H H 1 8.0548 0.05 . 1 . . . . . 364 SER H . 50522 1 234 . 1 . 1 136 136 SER N N 15 114.38 0.05 . 1 . . . . . 364 SER N . 50522 1 235 . 1 . 1 137 137 LEU H H 1 8.8507 0.05 . 1 . . . . . 365 LEU H . 50522 1 236 . 1 . 1 137 137 LEU N N 15 128.24 0.05 . 1 . . . . . 365 LEU N . 50522 1 237 . 1 . 1 138 138 THR H H 1 7.5831 0.05 . 1 . . . . . 366 THR H . 50522 1 238 . 1 . 1 138 138 THR N N 15 119.94 0.05 . 1 . . . . . 366 THR N . 50522 1 239 . 1 . 1 139 139 CYS H H 1 10.000 0.05 . 1 . . . . . 367 CYS H . 50522 1 240 . 1 . 1 139 139 CYS N N 15 129.22 0.05 . 1 . . . . . 367 CYS N . 50522 1 241 . 1 . 1 140 140 LEU H H 1 9.2929 0.05 . 1 . . . . . 368 LEU H . 50522 1 242 . 1 . 1 140 140 LEU N N 15 131.54 0.05 . 1 . . . . . 368 LEU N . 50522 1 243 . 1 . 1 141 141 VAL H H 1 8.378 0.05 . 1 . . . . . 369 VAL H . 50522 1 244 . 1 . 1 141 141 VAL N N 15 128.74 0.05 . 1 . . . . . 369 VAL N . 50522 1 245 . 1 . 1 142 142 VAL H H 1 8.8507 0.05 . 1 . . . . . 370 VAL H . 50522 1 246 . 1 . 1 142 142 VAL N N 15 120.22 0.05 . 1 . . . . . 370 VAL N . 50522 1 247 . 1 . 1 143 143 GLY H H 1 8.0253 0.05 . 1 . . . . . 371 GLY H . 50522 1 248 . 1 . 1 143 143 GLY N N 15 112.13 0.05 . 1 . . . . . 371 GLY N . 50522 1 249 . 1 . 1 144 144 PHE H H 1 7.6716 0.05 . 1 . . . . . 372 PHE H . 50522 1 250 . 1 . 1 144 144 PHE N N 15 112.34 0.05 . 1 . . . . . 372 PHE N . 50522 1 251 . 1 . 1 145 145 ASN H H 1 8.5854 0.05 . 1 . . . . . 373 ASN H . 50522 1 252 . 1 . 1 145 145 ASN N N 15 116.63 0.05 . 1 . . . . . 373 ASN N . 50522 1 253 . 1 . 1 147 147 GLY H H 1 8.6739 0.05 . 1 . . . . . 375 GLY H . 50522 1 254 . 1 . 1 147 147 GLY N N 15 109.11 0.05 . 1 . . . . . 375 GLY N . 50522 1 255 . 1 . 1 148 148 ASP H H 1 6.7872 0.05 . 1 . . . . . 376 ASP H . 50522 1 256 . 1 . 1 148 148 ASP N N 15 118.74 0.05 . 1 . . . . . 376 ASP N . 50522 1 257 . 1 . 1 149 149 ILE H H 1 8.3496 0.05 . 1 . . . . . 377 ILE H . 50522 1 258 . 1 . 1 149 149 ILE N N 15 123.74 0.05 . 1 . . . . . 377 ILE N . 50522 1 259 . 1 . 1 150 150 SER H H 1 7.734 0.05 . 1 . . . . . 378 SER H . 50522 1 260 . 1 . 1 150 150 SER N N 15 118.52 0.05 . 1 . . . . . 378 SER N . 50522 1 261 . 1 . 1 151 151 VAL H H 1 8.3834 0.05 . 1 . . . . . 379 VAL H . 50522 1 262 . 1 . 1 151 151 VAL N N 15 128.94 0.05 . 1 . . . . . 379 VAL N . 50522 1 263 . 1 . 1 152 152 GLU H H 1 8.7093 0.05 . 1 . . . . . 380 GLU H . 50522 1 264 . 1 . 1 152 152 GLU N N 15 126.40 0.05 . 1 . . . . . 380 GLU N . 50522 1 265 . 1 . 1 153 153 TRP H H 1 7.2294 0.05 . 1 . . . . . 381 TRP H . 50522 1 266 . 1 . 1 153 153 TRP N N 15 120.92 0.05 . 1 . . . . . 381 TRP N . 50522 1 267 . 1 . 1 154 154 THR H H 1 9.0571 0.05 . 1 . . . . . 382 THR H . 50522 1 268 . 1 . 1 154 154 THR N N 15 112.76 0.05 . 1 . . . . . 382 THR N . 50522 1 269 . 1 . 1 155 155 SER H H 1 9.2045 0.05 . 1 . . . . . 383 SER H . 50522 1 270 . 1 . 1 155 155 SER N N 15 116.14 0.05 . 1 . . . . . 383 SER N . 50522 1 271 . 1 . 1 156 156 ASN H H 1 8.2317 0.05 . 1 . . . . . 384 ASN H . 50522 1 272 . 1 . 1 156 156 ASN N N 15 125.28 0.05 . 1 . . . . . 384 ASN N . 50522 1 273 . 1 . 1 157 157 GLY H H 1 8.3201 0.05 . 1 . . . . . 385 GLY H . 50522 1 274 . 1 . 1 157 157 GLY N N 15 112.91 0.05 . 1 . . . . . 385 GLY N . 50522 1 275 . 1 . 1 158 158 HIS H H 1 9.116 0.05 . 1 . . . . . 386 HIS H . 50522 1 276 . 1 . 1 158 158 HIS N N 15 121.84 0.05 . 1 . . . . . 386 HIS N . 50522 1 277 . 1 . 1 159 159 THR H H 1 8.4675 0.05 . 1 . . . . . 387 THR H . 50522 1 278 . 1 . 1 159 159 THR N N 15 121.70 0.05 . 1 . . . . . 387 THR N . 50522 1 279 . 1 . 1 160 160 GLU H H 1 7.819 0.05 . 1 . . . . . 388 GLU H . 50522 1 280 . 1 . 1 160 160 GLU N N 15 126.41 0.05 . 1 . . . . . 388 GLU N . 50522 1 281 . 1 . 1 161 161 GLU H H 1 8.444 0.05 . 1 . . . . . 389 GLU H . 50522 1 282 . 1 . 1 161 161 GLU N N 15 118.51 0.05 . 1 . . . . . 389 GLU N . 50522 1 283 . 1 . 1 162 162 ASN H H 1 8.6149 0.05 . 1 . . . . . 390 ASN H . 50522 1 284 . 1 . 1 162 162 ASN N N 15 121.13 0.05 . 1 . . . . . 390 ASN N . 50522 1 285 . 1 . 1 163 163 TYR H H 1 7.5536 0.05 . 1 . . . . . 391 TYR H . 50522 1 286 . 1 . 1 163 163 TYR N N 15 117.12 0.05 . 1 . . . . . 391 TYR N . 50522 1 287 . 1 . 1 164 164 LYS H H 1 8.5559 0.05 . 1 . . . . . 392 LYS H . 50522 1 288 . 1 . 1 164 164 LYS N N 15 120.29 0.05 . 1 . . . . . 392 LYS N . 50522 1 289 . 1 . 1 165 165 ASP H H 1 8.635 0.05 . 1 . . . . . 393 ASP H . 50522 1 290 . 1 . 1 165 165 ASP N N 15 121.11 0.05 . 1 . . . . . 393 ASP N . 50522 1 291 . 1 . 1 166 166 THR H H 1 8.6444 0.05 . 1 . . . . . 394 THR H . 50522 1 292 . 1 . 1 166 166 THR N N 15 110.09 0.05 . 1 . . . . . 394 THR N . 50522 1 293 . 1 . 1 167 167 ALA H H 1 8.2317 0.05 . 1 . . . . . 395 ALA H . 50522 1 294 . 1 . 1 167 167 ALA N N 15 121.91 0.05 . 1 . . . . . 395 ALA N . 50522 1 295 . 1 . 1 169 169 VAL H H 1 8.621 0.05 . 1 . . . . . 397 VAL H . 50522 1 296 . 1 . 1 169 169 VAL N N 15 126.71 0.05 . 1 . . . . . 397 VAL N . 50522 1 297 . 1 . 1 170 170 LEU H H 1 8.0253 0.05 . 1 . . . . . 398 LEU H . 50522 1 298 . 1 . 1 170 170 LEU N N 15 127.60 0.05 . 1 . . . . . 398 LEU N . 50522 1 299 . 1 . 1 171 171 ASP H H 1 9.4108 0.05 . 1 . . . . . 399 ASP H . 50522 1 300 . 1 . 1 171 171 ASP N N 15 129.01 0.05 . 1 . . . . . 399 ASP N . 50522 1 301 . 1 . 1 172 172 SER H H 1 9.4698 0.05 . 1 . . . . . 400 SER H . 50522 1 302 . 1 . 1 172 172 SER N N 15 116.77 0.05 . 1 . . . . . 400 SER N . 50522 1 303 . 1 . 1 173 173 ASP H H 1 7.5536 0.05 . 1 . . . . . 401 ASP H . 50522 1 304 . 1 . 1 173 173 ASP N N 15 118.11 0.05 . 1 . . . . . 401 ASP N . 50522 1 305 . 1 . 1 174 174 GLY H H 1 7.701 0.05 . 1 . . . . . 402 GLY H . 50522 1 306 . 1 . 1 174 174 GLY N N 15 107.77 0.05 . 1 . . . . . 402 GLY N . 50522 1 307 . 1 . 1 175 175 SER H H 1 7.6126 0.05 . 1 . . . . . 403 SER H . 50522 1 308 . 1 . 1 175 175 SER N N 15 117.62 0.05 . 1 . . . . . 403 SER N . 50522 1 309 . 1 . 1 176 176 TYR H H 1 8.4675 0.05 . 1 . . . . . 404 TYR H . 50522 1 310 . 1 . 1 176 176 TYR N N 15 117.83 0.05 . 1 . . . . . 404 TYR N . 50522 1 311 . 1 . 1 177 177 PHE H H 1 8.3496 0.05 . 1 . . . . . 405 PHE H . 50522 1 312 . 1 . 1 177 177 PHE N N 15 111.22 0.05 . 1 . . . . . 405 PHE N . 50522 1 313 . 1 . 1 178 178 ILE H H 1 9.232 0.05 . 1 . . . . . 406 ILE H . 50522 1 314 . 1 . 1 178 178 ILE N N 15 117.56 0.05 . 1 . . . . . 406 ILE N . 50522 1 315 . 1 . 1 179 179 TYR H H 1 7.6421 0.05 . 1 . . . . . 407 TYR H . 50522 1 316 . 1 . 1 179 179 TYR N N 15 120.78 0.05 . 1 . . . . . 407 TYR N . 50522 1 317 . 1 . 1 180 180 SER H H 1 8.9686 0.05 . 1 . . . . . 408 SER H . 50522 1 318 . 1 . 1 180 180 SER N N 15 114.31 0.05 . 1 . . . . . 408 SER N . 50522 1 319 . 1 . 1 181 181 LYS H H 1 9.3519 0.05 . 1 . . . . . 409 LYS H . 50522 1 320 . 1 . 1 181 181 LYS N N 15 132.74 0.05 . 1 . . . . . 409 LYS N . 50522 1 321 . 1 . 1 182 182 LEU H H 1 8.8501 0.05 . 1 . . . . . 410 LEU H . 50522 1 322 . 1 . 1 182 182 LEU N N 15 131.65 0.05 . 1 . . . . . 410 LEU N . 50522 1 323 . 1 . 1 183 183 ASN H H 1 8.1137 0.05 . 1 . . . . . 411 ASN H . 50522 1 324 . 1 . 1 183 183 ASN N N 15 127.11 0.05 . 1 . . . . . 411 ASN N . 50522 1 325 . 1 . 1 184 184 MET H H 1 8.509 0.05 . 1 . . . . . 412 MET H . 50522 1 326 . 1 . 1 184 184 MET N N 15 117.73 0.05 . 1 . . . . . 412 MET N . 50522 1 327 . 1 . 1 185 185 LYS H H 1 8.428 0.05 . 1 . . . . . 413 LYS H . 50522 1 328 . 1 . 1 185 185 LYS N N 15 120.93 0.05 . 1 . . . . . 413 LYS N . 50522 1 329 . 1 . 1 186 186 THR H H 1 8.8802 0.05 . 1 . . . . . 414 THR H . 50522 1 330 . 1 . 1 186 186 THR N N 15 124.37 0.05 . 1 . . . . . 414 THR N . 50522 1 331 . 1 . 1 187 187 SER H H 1 8.146 0.05 . 1 . . . . . 415 SER H . 50522 1 332 . 1 . 1 187 187 SER N N 15 113.87 0.05 . 1 . . . . . 415 SER N . 50522 1 333 . 1 . 1 188 188 LYS H H 1 7.1704 0.05 . 1 . . . . . 416 LYS H . 50522 1 334 . 1 . 1 188 188 LYS N N 15 123.45 0.05 . 1 . . . . . 416 LYS N . 50522 1 335 . 1 . 1 189 189 TRP H H 1 7.6716 0.05 . 1 . . . . . 417 TRP H . 50522 1 336 . 1 . 1 189 189 TRP N N 15 124.16 0.05 . 1 . . . . . 417 TRP N . 50522 1 337 . 1 . 1 190 190 GLU H H 1 7.927 0.05 . 1 . . . . . 418 GLU H . 50522 1 338 . 1 . 1 190 190 GLU N N 15 113.36 0.05 . 1 . . . . . 418 GLU N . 50522 1 339 . 1 . 1 191 191 LYS H H 1 7.1999 0.05 . 1 . . . . . 419 LYS H . 50522 1 340 . 1 . 1 191 191 LYS N N 15 115.37 0.05 . 1 . . . . . 419 LYS N . 50522 1 341 . 1 . 1 192 192 THR H H 1 7.1704 0.05 . 1 . . . . . 420 THR H . 50522 1 342 . 1 . 1 192 192 THR N N 15 119.23 0.05 . 1 . . . . . 420 THR N . 50522 1 343 . 1 . 1 193 193 ASP H H 1 8.683 0.05 . 1 . . . . . 421 ASP H . 50522 1 344 . 1 . 1 193 193 ASP N N 15 126.54 0.05 . 1 . . . . . 421 ASP N . 50522 1 345 . 1 . 1 194 194 SER H H 1 7.76 0.05 . 1 . . . . . 422 SER H . 50522 1 346 . 1 . 1 194 194 SER N N 15 112.84 0.05 . 1 . . . . . 422 SER N . 50522 1 347 . 1 . 1 195 195 PHE H H 1 8.6444 0.05 . 1 . . . . . 423 PHE H . 50522 1 348 . 1 . 1 195 195 PHE N N 15 117.27 0.05 . 1 . . . . . 423 PHE N . 50522 1 349 . 1 . 1 196 196 SER H H 1 9.4108 0.05 . 1 . . . . . 424 SER H . 50522 1 350 . 1 . 1 196 196 SER N N 15 115.79 0.05 . 1 . . . . . 424 SER N . 50522 1 351 . 1 . 1 197 197 CYS H H 1 8.7623 0.05 . 1 . . . . . 425 CYS H . 50522 1 352 . 1 . 1 197 197 CYS N N 15 126.13 0.05 . 1 . . . . . 425 CYS N . 50522 1 353 . 1 . 1 198 198 ASN H H 1 8.6149 0.05 . 1 . . . . . 426 ASN H . 50522 1 354 . 1 . 1 198 198 ASN N N 15 125.14 0.05 . 1 . . . . . 426 ASN N . 50522 1 355 . 1 . 1 199 199 VAL H H 1 8.8802 0.05 . 1 . . . . . 427 VAL H . 50522 1 356 . 1 . 1 199 199 VAL N N 15 125.70 0.05 . 1 . . . . . 427 VAL N . 50522 1 357 . 1 . 1 200 200 ARG H H 1 8.5854 0.05 . 1 . . . . . 428 ARG H . 50522 1 358 . 1 . 1 200 200 ARG N N 15 124.86 0.05 . 1 . . . . . 428 ARG N . 50522 1 359 . 1 . 1 201 201 HIS H H 1 6.9641 0.05 . 1 . . . . . 429 HIS H . 50522 1 360 . 1 . 1 201 201 HIS N N 15 120.85 0.05 . 1 . . . . . 429 HIS N . 50522 1 361 . 1 . 1 202 202 GLU H H 1 8.8212 0.05 . 1 . . . . . 430 GLU H . 50522 1 362 . 1 . 1 202 202 GLU N N 15 126.97 0.05 . 1 . . . . . 430 GLU N . 50522 1 363 . 1 . 1 203 203 GLY H H 1 10.796 0.05 . 1 . . . . . 431 GLY H . 50522 1 364 . 1 . 1 203 203 GLY N N 15 113.04 0.05 . 1 . . . . . 431 GLY N . 50522 1 365 . 1 . 1 204 204 LEU H H 1 7.2883 0.05 . 1 . . . . . 432 LEU H . 50522 1 366 . 1 . 1 204 204 LEU N N 15 120.08 0.05 . 1 . . . . . 432 LEU N . 50522 1 367 . 1 . 1 205 205 LYS H H 1 8.6444 0.05 . 1 . . . . . 433 LYS H . 50522 1 368 . 1 . 1 205 205 LYS N N 15 126.55 0.05 . 1 . . . . . 433 LYS N . 50522 1 369 . 1 . 1 207 207 TYR H H 1 8.2022 0.05 . 1 . . . . . 435 TYR H . 50522 1 370 . 1 . 1 207 207 TYR N N 15 111.64 0.05 . 1 . . . . . 435 TYR N . 50522 1 371 . 1 . 1 208 208 TYR H H 1 7.1704 0.05 . 1 . . . . . 436 TYR H . 50522 1 372 . 1 . 1 208 208 TYR N N 15 119.87 0.05 . 1 . . . . . 436 TYR N . 50522 1 373 . 1 . 1 209 209 LEU H H 1 8.5265 0.05 . 1 . . . . . 437 LEU H . 50522 1 374 . 1 . 1 209 209 LEU N N 15 130.63 0.05 . 1 . . . . . 437 LEU N . 50522 1 375 . 1 . 1 210 210 LYS H H 1 7.9369 0.05 . 1 . . . . . 438 LYS H . 50522 1 376 . 1 . 1 210 210 LYS N N 15 126.27 0.05 . 1 . . . . . 438 LYS N . 50522 1 377 . 1 . 1 211 211 LYS H H 1 8.2906 0.05 . 1 . . . . . 439 LYS H . 50522 1 378 . 1 . 1 211 211 LYS N N 15 128.52 0.05 . 1 . . . . . 439 LYS N . 50522 1 379 . 1 . 1 212 212 THR H H 1 8.4746 0.05 . 1 . . . . . 440 THR H . 50522 1 380 . 1 . 1 212 212 THR N N 15 122.45 0.05 . 1 . . . . . 440 THR N . 50522 1 381 . 1 . 1 213 213 ILE H H 1 9.3519 0.05 . 1 . . . . . 441 ILE H . 50522 1 382 . 1 . 1 213 213 ILE N N 15 125.56 0.05 . 1 . . . . . 441 ILE N . 50522 1 383 . 1 . 1 214 214 SER H H 1 8.2022 0.05 . 1 . . . . . 442 SER H . 50522 1 384 . 1 . 1 214 214 SER N N 15 120.22 0.05 . 1 . . . . . 442 SER N . 50522 1 385 . 1 . 1 215 215 ARG H H 1 8.4133 0.05 . 1 . . . . . 443 ARG H . 50522 1 386 . 1 . 1 215 215 ARG N N 15 124.94 0.05 . 1 . . . . . 443 ARG N . 50522 1 387 . 1 . 1 216 216 SER H H 1 8.1727 0.05 . 1 . . . . . 444 SER H . 50522 1 388 . 1 . 1 216 216 SER N N 15 117.69 0.05 . 1 . . . . . 444 SER N . 50522 1 389 . 1 . 1 218 218 GLY H H 1 7.76 0.05 . 1 . . . . . 446 GLY H . 50522 1 390 . 1 . 1 218 218 GLY N N 15 115.58 0.05 . 1 . . . . . 446 GLY N . 50522 1 391 . 1 . 1 219 219 LYS H H 1 7.5831 0.05 . 1 . . . . . 447 LYS H . 50522 1 392 . 1 . 1 219 219 LYS N N 15 126.41 0.05 . 1 . . . . . 447 LYS N . 50522 1 393 . 3 . 2 1 1 NAG H1 H 1 4.9150 0.05 . 1 . . . . . 1 GN1 H1 . 50522 1 394 . 3 . 2 1 1 NAG H2 H 1 3.9910 0.05 . 1 . . . . . 1 GN1 H2 . 50522 1 395 . 3 . 2 1 1 NAG H3 H 1 3.9568 0.05 . 1 . . . . . 1 GN1 H3 . 50522 1 396 . 3 . 2 1 1 NAG H4 H 1 3.9568 0.05 . 1 . . . . . 1 GN1 H4 . 50522 1 397 . 3 . 2 1 1 NAG H5 H 1 3.5706 0.05 . 1 . . . . . 1 GN1 H5 . 50522 1 398 . 3 . 2 1 1 NAG H8 H 1 2.013 0.05 . 1 . . . . . 1 GN1 H8 . 50522 1 399 . 3 . 2 1 1 NAG C1 C 13 81.589 0.05 . 1 . . . . . 1 GN1 C1 . 50522 1 400 . 3 . 2 1 1 NAG C2 C 13 55.318 0.05 . 1 . . . . . 1 GN1 C2 . 50522 1 401 . 3 . 2 1 1 NAG C3 C 13 74.362 0.05 . 1 . . . . . 1 GN1 C3 . 50522 1 402 . 3 . 2 1 1 NAG C4 C 13 83.542 0.05 . 1 . . . . . 1 GN1 C4 . 50522 1 403 . 3 . 2 1 1 NAG C5 C 13 75.925 0.05 . 1 . . . . . 1 GN1 C5 . 50522 1 404 . 3 . 2 1 1 NAG C7 C 13 178.4 0.05 . 1 . . . . . 1 GN1 C7 . 50522 1 405 . 3 . 2 1 1 NAG C8 C 13 24.548 0.05 . 1 . . . . . 1 GN1 C8 . 50522 1 406 . 3 . 2 2 2 NAG H1 H 1 4.4750 0.05 . 1 . . . . . 2 GN2 H1 . 50522 1 407 . 3 . 2 2 2 NAG H2 H 1 3.9421 0.05 . 1 . . . . . 2 GN2 H2 . 50522 1 408 . 3 . 2 2 2 NAG H3 H 1 3.6537 0.05 . 1 . . . . . 2 GN2 H3 . 50522 1 409 . 3 . 2 2 2 NAG H4 H 1 2.9937 0.05 . 1 . . . . . 2 GN2 H4 . 50522 1 410 . 3 . 2 2 2 NAG H5 H 1 3.6195 0.05 . 1 . . . . . 2 GN2 H5 . 50522 1 411 . 3 . 2 2 2 NAG H8 H 1 1.954 0.05 . 1 . . . . . 2 GN2 H8 . 50522 1 412 . 3 . 2 2 2 NAG C1 C 13 105.41 0.05 . 1 . . . . . 2 GN2 C1 . 50522 1 413 . 3 . 2 2 2 NAG C2 C 13 55.806 0.05 . 1 . . . . . 2 GN2 C2 . 50522 1 414 . 3 . 2 2 2 NAG C3 C 13 75.046 0.05 . 1 . . . . . 2 GN2 C3 . 50522 1 415 . 3 . 2 2 2 NAG C4 C 13 85.3 0.05 . 1 . . . . . 2 GN2 C4 . 50522 1 416 . 3 . 2 2 2 NAG C5 C 13 76.608 0.05 . 1 . . . . . 2 GN2 C5 . 50522 1 417 . 3 . 2 2 2 NAG C7 C 13 176.72 0.05 . 1 . . . . . 2 GN2 C7 . 50522 1 418 . 3 . 2 2 2 NAG C8 C 13 25.314 0.05 . 1 . . . . . 2 GN2 C8 . 50522 1 419 . 3 . 2 2 2 NAG N N 15 121.89 0.05 . 1 . . . . . 2 GN2 N . 50522 1 420 . 3 . 2 2 2 NAG NH N 15 7.799 0.05 . 1 . . . . . 2 GN2 NH . 50522 1 421 . 3 . 2 3 3 MAN H1 H 1 3.133 0.05 . 1 . . . . . 3 M3 H1 . 50522 1 422 . 3 . 2 3 3 MAN H2 H 1 4.013 0.05 . 1 . . . . . 3 M3 H2 . 50522 1 423 . 3 . 2 3 3 MAN H3 H 1 3.3653 0.05 . 1 . . . . . 3 M3 H3 . 50522 1 424 . 3 . 2 3 3 MAN H4 H 1 3.5608 0.05 . 1 . . . . . 3 M3 H4 . 50522 1 425 . 3 . 2 3 3 MAN H5 H 1 3.0475 0.05 . 1 . . . . . 3 M3 H5 . 50522 1 426 . 3 . 2 3 3 MAN H61 H 1 3.627 0.05 . 1 . . . . . 3 M3 H61 . 50522 1 427 . 3 . 2 3 3 MAN H62 H 1 3.736 0.05 . 1 . . . . . 3 M3 H62 . 50522 1 428 . 3 . 2 3 3 MAN C1 C 13 102.7 0.05 . 1 . . . . . 3 M3 C1 . 50522 1 429 . 3 . 2 3 3 MAN C2 C 13 72.44 0.05 . 1 . . . . . 3 M3 C2 . 50522 1 430 . 3 . 2 3 3 MAN C3 C 13 82.663 0.05 . 1 . . . . . 3 M3 C3 . 50522 1 431 . 3 . 2 3 3 MAN C4 C 13 68.502 0.05 . 1 . . . . . 3 M3 C4 . 50522 1 432 . 3 . 2 3 3 MAN C5 C 13 75.137 0.05 . 1 . . . . . 3 M3 C5 . 50522 1 433 . 3 . 2 3 3 MAN C6 C 13 66.64 0.05 . 1 . . . . . 3 M3 C6 . 50522 1 434 . 3 . 2 4 4 MAN H1 H 1 5.2425 0.05 . 1 . . . . . 4 M4 H1 . 50522 1 435 . 3 . 2 4 4 MAN H2 H 1 4.2648 0.05 . 1 . . . . . 4 M4 H2 . 50522 1 436 . 3 . 2 4 4 MAN H3 H 1 3.937 0.05 . 1 . . . . . 4 M4 H3 . 50522 1 437 . 3 . 2 4 4 MAN H4 H 1 3.6928 0.05 . 1 . . . . . 4 M4 H4 . 50522 1 438 . 3 . 2 4 4 MAN H5 H 1 3.833 0.05 . 1 . . . . . 4 M4 H5 . 50522 1 439 . 3 . 2 4 4 MAN H61 H 1 3.721 0.05 . 1 . . . . . 4 M4 H61 . 50522 1 440 . 3 . 2 4 4 MAN H62 H 1 3.801 0.05 . 1 . . . . . 4 M4 H62 . 50522 1 441 . 3 . 2 4 4 MAN C1 C 13 102.97 0.05 . 1 . . . . . 4 M4 C1 . 50522 1 442 . 3 . 2 4 4 MAN C2 C 13 80.026 0.05 . 1 . . . . . 4 M4 C2 . 50522 1 443 . 3 . 2 4 4 MAN C3 C 13 71.94 0.05 . 1 . . . . . 4 M4 C3 . 50522 1 444 . 3 . 2 4 4 MAN C4 C 13 69.85 0.05 . 1 . . . . . 4 M4 C4 . 50522 1 445 . 3 . 2 4 4 MAN C5 C 13 76.59 0.05 . 1 . . . . . 4 M4 C5 . 50522 1 446 . 3 . 2 4 4 MAN C6 C 13 65.182 0.05 . 1 . . . . . 4 M4 C6 . 50522 1 447 . 3 . 2 5 5 NAG H1 H 1 4.7537 0.05 . 1 . . . . . 5 GN5 H1 . 50522 1 448 . 3 . 2 5 5 NAG H2 H 1 3.7955 0.05 . 1 . . . . . 5 GN5 H2 . 50522 1 449 . 3 . 2 5 5 NAG H3 H 1 3.856 0.05 . 1 . . . . . 5 GN5 H3 . 50522 1 450 . 3 . 2 5 5 NAG H4 H 1 3.711 0.05 . 1 . . . . . 5 GN5 H4 . 50522 1 451 . 3 . 2 5 5 NAG H5 H 1 3.803 0.05 . 1 . . . . . 5 GN5 H5 . 50522 1 452 . 3 . 2 5 5 NAG H8 H 1 2.141 0.05 . 1 . . . . . 5 GN5 H8 . 50522 1 453 . 3 . 2 5 5 NAG H61 H 1 3.724 0.05 . 1 . . . . . 5 GN5 H61 . 50522 1 454 . 3 . 2 5 5 NAG H62 H 1 3.807 0.05 . 1 . . . . . 5 GN5 H62 . 50522 1 455 . 3 . 2 5 5 NAG C1 C 13 102.97 0.05 . 1 . . . . . 5 GN5 C1 . 50522 1 456 . 3 . 2 5 5 NAG C2 C 13 58.443 0.05 . 1 . . . . . 5 GN5 C2 . 50522 1 457 . 3 . 2 5 5 NAG C3 C 13 75.02 0.05 . 1 . . . . . 5 GN5 C3 . 50522 1 458 . 3 . 2 5 5 NAG C4 C 13 77.7 0.05 . 1 . . . . . 5 GN5 C4 . 50522 1 459 . 3 . 2 5 5 NAG C5 C 13 81.75 0.05 . 1 . . . . . 5 GN5 C5 . 50522 1 460 . 3 . 2 5 5 NAG C6 C 13 66 0.05 . 1 . . . . . 5 GN5 C6 . 50522 1 461 . 3 . 2 5 5 NAG C7 C 13 177.2 0.05 . 1 . . . . . 5 GN5 C7 . 50522 1 462 . 3 . 2 5 5 NAG C8 C 13 25.549 0.05 . 1 . . . . . 5 GN5 C8 . 50522 1 463 . 3 . 2 5 5 NAG N N 15 121.88 0.05 . 1 . . . . . 5 GN5 N . 50522 1 464 . 3 . 2 5 5 NAG NH N 15 8.081 0.05 . 1 . . . . . 5 GN5 NH . 50522 1 465 . 3 . 2 6 6 G H1 H 1 4.568 0.05 . 1 . . . . . 6 G6 H1 . 50522 1 466 . 3 . 2 6 6 G H2 H 1 3.652 0.05 . 1 . . . . . 6 G6 H2 . 50522 1 467 . 3 . 2 6 6 G H3 H 1 3.735 0.05 . 1 . . . . . 6 G6 H3 . 50522 1 468 . 3 . 2 6 6 G H4 H 1 4.025 0.05 . 1 . . . . . 6 G6 H4 . 50522 1 469 . 3 . 2 6 6 G H5 H 1 3.807 0.05 . 1 . . . . . 6 G6 H5 . 50522 1 470 . 3 . 2 6 6 G H6 H 1 3.859 0.05 . 1 . . . . . 6 G6 H6 . 50522 1 471 . 3 . 2 6 6 G C1 C 13 105.7 0.05 . 1 . . . . . 6 G6 C1 . 50522 1 472 . 3 . 2 6 6 G C2 C 13 73.7 0.05 . 1 . . . . . 6 G6 C2 . 50522 1 473 . 3 . 2 6 6 G C3 C 13 75.6 0.05 . 1 . . . . . 6 G6 C3 . 50522 1 474 . 3 . 2 6 6 G C4 C 13 71.6 0.05 . 1 . . . . . 6 G6 C4 . 50522 1 475 . 3 . 2 6 6 G C5 C 13 68.97 0.05 . 1 . . . . . 6 G6 C5 . 50522 1 476 . 3 . 2 6 6 G C6 C 13 63.7 0.05 . 1 . . . . . 6 G6 C6 . 50522 1 477 . 3 . 2 7 7 MAN H1 H 1 4.74 0.05 . 1 . . . . . 7 M4' H1 . 50522 1 478 . 3 . 2 7 7 MAN H2 H 1 3.463 0.05 . 1 . . . . . 7 M4' H2 . 50522 1 479 . 3 . 2 7 7 MAN H3 H 1 3.447 0.05 . 1 . . . . . 7 M4' H3 . 50522 1 480 . 3 . 2 7 7 MAN H4 H 1 3.3653 0.05 . 1 . . . . . 7 M4' H4 . 50522 1 481 . 3 . 2 7 7 MAN H5 H 1 3.4337 0.05 . 1 . . . . . 7 M4' H5 . 50522 1 482 . 3 . 2 7 7 MAN H61 H 1 3.721 0.05 . 1 . . . . . 7 M4' H61 . 50522 1 483 . 3 . 2 7 7 MAN H62 H 1 3.801 0.05 . 1 . . . . . 7 M4' H62 . 50522 1 484 . 3 . 2 7 7 MAN C1 C 13 100.25 0.05 . 1 . . . . . 7 M4' C1 . 50522 1 485 . 3 . 2 7 7 MAN C2 C 13 77.63 0.05 . 1 . . . . . 7 M4' C2 . 50522 1 486 . 3 . 2 7 7 MAN C3 C 13 71.725 0.05 . 1 . . . . . 7 M4' C3 . 50522 1 487 . 3 . 2 7 7 MAN C4 C 13 69.772 0.05 . 1 . . . . . 7 M4' C4 . 50522 1 488 . 3 . 2 7 7 MAN C5 C 13 75.241 0.05 . 1 . . . . . 7 M4' C5 . 50522 1 489 . 3 . 2 7 7 MAN C6 C 13 65.182 0.05 . 1 . . . . . 7 M4' C6 . 50522 1 490 . 3 . 2 8 8 NAG H1 H 1 3.568 0.05 . 1 . . . . . 8 GN5' H1 . 50522 1 491 . 3 . 2 8 8 NAG H2 H 1 3.437 0.05 . 1 . . . . . 8 GN5' H2 . 50522 1 492 . 3 . 2 8 8 NAG H3 H 1 3.368 0.05 . 1 . . . . . 8 GN5' H3 . 50522 1 493 . 3 . 2 8 8 NAG H4 H 1 3.899 0.05 . 1 . . . . . 8 GN5' H4 . 50522 1 494 . 3 . 2 8 8 NAG H5 H 1 2.046 0.05 . 1 . . . . . 8 GN5' H5 . 50522 1 495 . 3 . 2 8 8 NAG H8 H 1 2.044 0.05 . 1 . . . . . 8 GN5' H8 . 50522 1 496 . 3 . 2 8 8 NAG C1 C 13 100.78 0.05 . 1 . . . . . 8 GN5' C1 . 50522 1 497 . 3 . 2 8 8 NAG C2 C 13 57.76 0.05 . 1 . . . . . 8 GN5' C2 . 50522 1 498 . 3 . 2 8 8 NAG C3 C 13 74.22 0.05 . 1 . . . . . 8 GN5' C3 . 50522 1 499 . 3 . 2 8 8 NAG C4 C 13 74.67 0.05 . 1 . . . . . 8 GN5' C4 . 50522 1 500 . 3 . 2 8 8 NAG C5 C 13 76.2 0.05 . 1 . . . . . 8 GN5' C5 . 50522 1 501 . 3 . 2 8 8 NAG C7 C 13 177.36 0.05 . 1 . . . . . 8 GN5' C7 . 50522 1 502 . 3 . 2 8 8 NAG C8 C 13 25.10 0.05 . 1 . . . . . 8 GN5' C8 . 50522 1 503 . 3 . 2 8 8 NAG N N 15 121.12 0.05 . 1 . . . . . 8 GN5' N . 50522 1 504 . 3 . 2 8 8 NAG NH N 15 7.968 0.05 . 1 . . . . . 8 GN5' NH . 50522 1 505 . 3 . 2 9 9 FUC H1 H 1 4.7048 0.05 . 1 . . . . . 9 F H1 . 50522 1 506 . 3 . 2 9 9 FUC H2 H 1 3.6048 0.05 . 1 . . . . . 9 F H2 . 50522 1 507 . 3 . 2 9 9 FUC H3 H 1 3.4142 0.05 . 1 . . . . . 9 F H3 . 50522 1 508 . 3 . 2 9 9 FUC H4 H 1 2.656 0.05 . 1 . . . . . 9 F H4 . 50522 1 509 . 3 . 2 9 9 FUC H5 H 1 3.1645 0.05 . 1 . . . . . 9 F H5 . 50522 1 510 . 3 . 2 9 9 FUC C1 C 13 101.8 0.05 . 1 . . . . . 9 F C1 . 50522 1 511 . 3 . 2 9 9 FUC C2 C 13 71.048 0.05 . 1 . . . . . 9 F C2 . 50522 1 512 . 3 . 2 9 9 FUC C3 C 13 71.92 0.05 . 1 . . . . . 9 F C3 . 50522 1 513 . 3 . 2 9 9 FUC C4 C 13 73.9 0.05 . 1 . . . . . 9 F C4 . 50522 1 514 . 3 . 2 9 9 FUC C5 C 13 68.97 0.05 . 1 . . . . . 9 F C5 . 50522 1 515 . 3 . 2 10 10 G H1 H 1 4.314 0.05 . 1 . . . . . 10 G6' H1 . 50522 1 516 . 3 . 2 10 10 G H2 H 1 3.544 0.05 . 1 . . . . . 10 G6' H2 . 50522 1 517 . 3 . 2 10 10 G H3 H 1 3.316 0.05 . 1 . . . . . 10 G6' H3 . 50522 1 518 . 3 . 2 10 10 G H4 H 1 3.838 0.05 . 1 . . . . . 10 G6' H4 . 50522 1 519 . 3 . 2 10 10 G H5 H 1 3.554 0.05 . 1 . . . . . 10 G6' H5 . 50522 1 520 . 3 . 2 10 10 G H6 H 1 3.683 0.05 . 1 . . . . . 10 G6' H6 . 50522 1 521 . 3 . 2 10 10 G C1 C 13 102.6 0.05 . 1 . . . . . 10 G6' C1 . 50522 1 522 . 3 . 2 10 10 G C2 C 13 74.5 0.05 . 1 . . . . . 10 G6' C2 . 50522 1 523 . 3 . 2 10 10 G C3 C 13 74.8 0.05 . 1 . . . . . 10 G6' C3 . 50522 1 524 . 3 . 2 10 10 G C4 C 13 70.6 0.05 . 1 . . . . . 10 G6' C4 . 50522 1 525 . 3 . 2 10 10 G C5 C 13 78.1 0.05 . 1 . . . . . 10 G6' C5 . 50522 1 526 . 3 . 2 10 10 G C6 C 13 63.2 0.05 . 1 . . . . . 10 G6' C6 . 50522 1 stop_ save_