################################### # 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 52921 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'NMR assignments of the Fc fragment of human immunoglobulin G1 glycoprotein non-fucosylated, non-galactosylated (G0) 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' . . . 52921 1 2 '3D HNCO' . . . 52921 1 3 '3D HCACO' . . . 52921 1 4 '3D HCCH-COSY' . . . 52921 1 5 '1H-13C HMBC' . . . 52921 1 6 '2D 1H-13C HSQC-TOCSY' . . . 52921 1 7 '2D COSY' . . . 52921 1 8 '2D TOCSY' . . . 52921 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 . . 52921 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 2 2 CYS H H 1 8.2022 0.05 . 1 . . . . . 226 CYS H . 52921 1 2 . 1 . 1 2 2 CYS N N 15 118.95 0.05 . 1 . . . . . 226 CYS N . 52921 1 3 . 1 . 1 7 7 ALA H H 1 8.2925 0.05 . 1 . . . . . 231 ALA H . 52921 1 4 . 1 . 1 7 7 ALA N N 15 125.77 0.05 . 1 . . . . . 231 ALA N . 52921 1 5 . 1 . 1 9 9 GLU H H 1 8.5854 0.05 . 1 . . . . . 233 GLU H . 52921 1 6 . 1 . 1 9 9 GLU N N 15 120.36 0.05 . 1 . . . . . 233 GLU N . 52921 1 7 . 1 . 1 11 11 LEU H H 1 8.1311 0.05 . 1 . . . . . 235 LEU H . 52921 1 8 . 1 . 1 11 11 LEU N N 15 123.30 0.05 . 1 . . . . . 235 LEU N . 52921 1 9 . 1 . 1 12 12 GLY H H 1 8.3890 0.05 . 1 . . . . . 236 GLY H . 52921 1 10 . 1 . 1 12 12 GLY N N 15 109.54 0.05 . 1 . . . . . 236 GLY N . 52921 1 11 . 1 . 1 13 13 GLY H H 1 8.0072 0.05 . 1 . . . . . 237 GLY H . 52921 1 12 . 1 . 1 13 13 GLY N N 15 108.48 0.05 . 1 . . . . . 237 GLY N . 52921 1 13 . 1 . 1 15 15 SER H H 1 8.1038 0.05 . 1 . . . . . 239 SER H . 52921 1 14 . 1 . 1 15 15 SER N N 15 113.69 0.05 . 1 . . . . . 239 SER N . 52921 1 15 . 1 . 1 16 16 VAL H H 1 7.9699 0.05 . 1 . . . . . 240 VAL H . 52921 1 16 . 1 . 1 16 16 VAL N N 15 121.55 0.05 . 1 . . . . . 240 VAL N . 52921 1 17 . 1 . 1 17 17 PHE H H 1 9.4575 0.05 . 1 . . . . . 241 PHE H . 52921 1 18 . 1 . 1 17 17 PHE N N 15 124.52 0.05 . 1 . . . . . 241 PHE N . 52921 1 19 . 1 . 1 18 18 LEU H H 1 8.2693 0.05 . 1 . . . . . 242 LEU H . 52921 1 20 . 1 . 1 18 18 LEU N N 15 124.95 0.05 . 1 . . . . . 242 LEU N . 52921 1 21 . 1 . 1 19 19 PHE H H 1 9.3530 0.05 . 1 . . . . . 243 PHE H . 52921 1 22 . 1 . 1 19 19 PHE N N 15 123.91 0.05 . 1 . . . . . 243 PHE N . 52921 1 23 . 1 . 1 22 22 LYS H H 1 8.6625 0.05 . 1 . . . . . 246 LYS H . 52921 1 24 . 1 . 1 22 22 LYS N N 15 122.31 0.05 . 1 . . . . . 246 LYS N . 52921 1 25 . 1 . 1 24 24 LYS H H 1 8.8677 0.05 . 1 . . . . . 248 LYS H . 52921 1 26 . 1 . 1 24 24 LYS N N 15 115.63 0.05 . 1 . . . . . 248 LYS N . 52921 1 27 . 1 . 1 26 26 THR H H 1 7.1085 0.05 . 1 . . . . . 250 THR H . 52921 1 28 . 1 . 1 26 26 THR N N 15 104.62 0.05 . 1 . . . . . 250 THR N . 52921 1 29 . 1 . 1 27 27 LEU H H 1 7.1525 0.05 . 1 . . . . . 251 LEU H . 52921 1 30 . 1 . 1 27 27 LEU N N 15 117.49 0.05 . 1 . . . . . 251 LEU N . 52921 1 31 . 1 . 1 28 28 MET H H 1 7.2914 0.05 . 1 . . . . . 252 MET H . 52921 1 32 . 1 . 1 28 28 MET N N 15 119.10 0.05 . 1 . . . . . 252 MET N . 52921 1 33 . 1 . 1 29 29 ILE H H 1 8.2816 0.05 . 1 . . . . . 253 ILE H . 52921 1 34 . 1 . 1 29 29 ILE N N 15 123.01 0.05 . 1 . . . . . 253 ILE N . 52921 1 35 . 1 . 1 31 31 ARG H H 1 7.8310 0.05 . 1 . . . . . 255 ARG H . 52921 1 36 . 1 . 1 31 31 ARG N N 15 122.94 0.05 . 1 . . . . . 255 ARG N . 52921 1 37 . 1 . 1 32 32 THR H H 1 8.4608 0.05 . 1 . . . . . 256 THR H . 52921 1 38 . 1 . 1 32 32 THR N N 15 115.54 0.05 . 1 . . . . . 256 THR N . 52921 1 39 . 1 . 1 34 34 GLU H H 1 7.7699 0.05 . 1 . . . . . 258 GLU H . 52921 1 40 . 1 . 1 34 34 GLU N N 15 117.73 0.05 . 1 . . . . . 258 GLU N . 52921 1 41 . 1 . 1 35 35 VAL H H 1 8.6192 0.05 . 1 . . . . . 259 VAL H . 52921 1 42 . 1 . 1 35 35 VAL N N 15 120.46 0.05 . 1 . . . . . 259 VAL N . 52921 1 43 . 1 . 1 36 36 THR H H 1 7.9978 0.05 . 1 . . . . . 260 THR H . 52921 1 44 . 1 . 1 36 36 THR N N 15 119.59 0.05 . 1 . . . . . 260 THR N . 52921 1 45 . 1 . 1 37 37 CYS H H 1 10.108 0.05 . 1 . . . . . 261 CYS H . 52921 1 46 . 1 . 1 37 37 CYS N N 15 131.12 0.05 . 1 . . . . . 261 CYS N . 52921 1 47 . 1 . 1 38 38 VAL H H 1 9.6594 0.05 . 1 . . . . . 262 VAL H . 52921 1 48 . 1 . 1 38 38 VAL N N 15 127.30 0.05 . 1 . . . . . 262 VAL N . 52921 1 49 . 1 . 1 39 39 VAL H H 1 9.4524 0.05 . 1 . . . . . 263 VAL H . 52921 1 50 . 1 . 1 39 39 VAL N N 15 127.49 0.05 . 1 . . . . . 263 VAL N . 52921 1 51 . 1 . 1 40 40 VAL H H 1 8.9888 0.05 . 1 . . . . . 264 VAL H . 52921 1 52 . 1 . 1 40 40 VAL N N 15 119.31 0.05 . 1 . . . . . 264 VAL N . 52921 1 53 . 1 . 1 42 42 VAL H H 1 7.8812 0.05 . 1 . . . . . 266 VAL H . 52921 1 54 . 1 . 1 42 42 VAL N N 15 117.99 0.05 . 1 . . . . . 266 VAL N . 52921 1 55 . 1 . 1 43 43 SER H H 1 8.5791 0.05 . 1 . . . . . 267 SER H . 52921 1 56 . 1 . 1 43 43 SER N N 15 123.76 0.05 . 1 . . . . . 267 SER N . 52921 1 57 . 1 . 1 44 44 HIS H H 1 8.8718 0.05 . 1 . . . . . 268 HIS H . 52921 1 58 . 1 . 1 44 44 HIS N N 15 118.13 0.05 . 1 . . . . . 268 HIS N . 52921 1 59 . 1 . 1 45 45 GLU H H 1 8.2975 0.05 . 1 . . . . . 269 GLU H . 52921 1 60 . 1 . 1 45 45 GLU N N 15 116.98 0.05 . 1 . . . . . 269 GLU N . 52921 1 61 . 1 . 1 46 46 ASP H H 1 7.3019 0.05 . 1 . . . . . 270 ASP H . 52921 1 62 . 1 . 1 46 46 ASP N N 15 116.55 0.05 . 1 . . . . . 270 ASP N . 52921 1 63 . 1 . 1 48 48 GLU H H 1 7.7345 0.05 . 1 . . . . . 272 GLU H . 52921 1 64 . 1 . 1 48 48 GLU N N 15 119.24 0.05 . 1 . . . . . 272 GLU N . 52921 1 65 . 1 . 1 50 50 LYS H H 1 8.2881 0.05 . 1 . . . . . 274 LYS H . 52921 1 66 . 1 . 1 50 50 LYS N N 15 126.49 0.05 . 1 . . . . . 274 LYS N . 52921 1 67 . 1 . 1 52 52 ASN H H 1 9.3009 0.05 . 1 . . . . . 276 ASN H . 52921 1 68 . 1 . 1 52 52 ASN N N 15 120.60 0.05 . 1 . . . . . 276 ASN N . 52921 1 69 . 1 . 1 53 53 TRP H H 1 8.8780 0.05 . 1 . . . . . 277 TRP H . 52921 1 70 . 1 . 1 53 53 TRP N N 15 122.96 0.05 . 1 . . . . . 277 TRP N . 52921 1 71 . 1 . 1 54 54 TYR H H 1 9.2164 0.05 . 1 . . . . . 278 TYR H . 52921 1 72 . 1 . 1 54 54 TYR N N 15 116.61 0.05 . 1 . . . . . 278 TYR N . 52921 1 73 . 1 . 1 55 55 VAL H H 1 8.9745 0.05 . 1 . . . . . 279 VAL H . 52921 1 74 . 1 . 1 55 55 VAL N N 15 121.88 0.05 . 1 . . . . . 279 VAL N . 52921 1 75 . 1 . 1 56 56 ASP H H 1 9.9539 0.05 . 1 . . . . . 280 ASP H . 52921 1 76 . 1 . 1 56 56 ASP N N 15 131.61 0.05 . 1 . . . . . 280 ASP N . 52921 1 77 . 1 . 1 57 57 GLY H H 1 9.0805 0.05 . 1 . . . . . 281 GLY H . 52921 1 78 . 1 . 1 57 57 GLY N N 15 102.23 0.05 . 1 . . . . . 281 GLY N . 52921 1 79 . 1 . 1 58 58 VAL H H 1 7.9967 0.05 . 1 . . . . . 282 VAL H . 52921 1 80 . 1 . 1 58 58 VAL N N 15 124.02 0.05 . 1 . . . . . 282 VAL N . 52921 1 81 . 1 . 1 59 59 GLU H H 1 8.9308 0.05 . 1 . . . . . 283 GLU H . 52921 1 82 . 1 . 1 59 59 GLU N N 15 129.74 0.05 . 1 . . . . . 283 GLU N . 52921 1 83 . 1 . 1 60 60 VAL H H 1 8.2201 0.05 . 1 . . . . . 284 VAL H . 52921 1 84 . 1 . 1 60 60 VAL N N 15 118.89 0.05 . 1 . . . . . 284 VAL N . 52921 1 85 . 1 . 1 62 62 ASN H H 1 8.1513 0.05 . 1 . . . . . 286 ASN H . 52921 1 86 . 1 . 1 62 62 ASN N N 15 115.83 0.05 . 1 . . . . . 286 ASN N . 52921 1 87 . 1 . 1 63 63 ALA H H 1 8.1524 0.05 . 1 . . . . . 287 ALA H . 52921 1 88 . 1 . 1 63 63 ALA N N 15 123.91 0.05 . 1 . . . . . 287 ALA N . 52921 1 89 . 1 . 1 64 64 LYS H H 1 8.5564 0.05 . 1 . . . . . 288 LYS H . 52921 1 90 . 1 . 1 64 64 LYS N N 15 120.73 0.05 . 1 . . . . . 288 LYS N . 52921 1 91 . 1 . 1 65 65 THR H H 1 8.6722 0.05 . 1 . . . . . 289 THR H . 52921 1 92 . 1 . 1 65 65 THR N N 15 122.67 0.05 . 1 . . . . . 289 THR N . 52921 1 93 . 1 . 1 66 66 LYS H H 1 8.9091 0.05 . 1 . . . . . 290 LYS H . 52921 1 94 . 1 . 1 66 66 LYS N N 15 129.49 0.05 . 1 . . . . . 290 LYS N . 52921 1 95 . 1 . 1 68 68 ARG H H 1 8.5146 0.05 . 1 . . . . . 292 ARG H . 52921 1 96 . 1 . 1 68 68 ARG N N 15 122.55 0.05 . 1 . . . . . 292 ARG N . 52921 1 97 . 1 . 1 69 69 GLU H H 1 8.8273 0.05 . 1 . . . . . 293 GLU H . 52921 1 98 . 1 . 1 69 69 GLU N N 15 121.55 0.05 . 1 . . . . . 293 GLU N . 52921 1 99 . 1 . 1 70 70 GLU H H 1 9.2814 0.05 . 1 . . . . . 294 GLU H . 52921 1 100 . 1 . 1 70 70 GLU N N 15 127.01 0.05 . 1 . . . . . 294 GLU N . 52921 1 101 . 1 . 1 71 71 GLN H H 1 8.4377 0.05 . 1 . . . . . 295 GLN H . 52921 1 102 . 1 . 1 71 71 GLN N N 15 123.61 0.05 . 1 . . . . . 295 GLN N . 52921 1 103 . 1 . 1 72 72 TYR H H 1 8.9679 0.05 . 1 . . . . . 296 TYR H . 52921 1 104 . 1 . 1 72 72 TYR N N 15 120.50 0.05 . 1 . . . . . 296 TYR N . 52921 1 105 . 1 . 1 73 73 ASN H H 1 7.1881 0.05 . 1 . . . . . 297 ASN H . 52921 1 106 . 1 . 1 73 73 ASN N N 15 115.00 0.05 . 1 . . . . . 297 ASN N . 52921 1 107 . 1 . 1 74 74 SER H H 1 7.9551 0.05 . 1 . . . . . 298 SER H . 52921 1 108 . 1 . 1 74 74 SER N N 15 109.03 0.05 . 1 . . . . . 298 SER N . 52921 1 109 . 1 . 1 75 75 THR H H 1 6.8992 0.05 . 1 . . . . . 299 THR H . 52921 1 110 . 1 . 1 75 75 THR N N 15 105.48 0.05 . 1 . . . . . 299 THR N . 52921 1 111 . 1 . 1 76 76 TYR H H 1 9.3727 0.05 . 1 . . . . . 300 TYR H . 52921 1 112 . 1 . 1 76 76 TYR N N 15 116.15 0.05 . 1 . . . . . 300 TYR N . 52921 1 113 . 1 . 1 77 77 ARG H H 1 8.7484 0.05 . 1 . . . . . 301 ARG H . 52921 1 114 . 1 . 1 77 77 ARG N N 15 122.73 0.05 . 1 . . . . . 301 ARG N . 52921 1 115 . 1 . 1 78 78 VAL H H 1 9.4020 0.05 . 1 . . . . . 302 VAL H . 52921 1 116 . 1 . 1 78 78 VAL N N 15 127.05 0.05 . 1 . . . . . 302 VAL N . 52921 1 117 . 1 . 1 79 79 VAL H H 1 8.3535 0.05 . 1 . . . . . 303 VAL H . 52921 1 118 . 1 . 1 79 79 VAL N N 15 127.22 0.05 . 1 . . . . . 303 VAL N . 52921 1 119 . 1 . 1 80 80 SER H H 1 9.0408 0.05 . 1 . . . . . 304 SER H . 52921 1 120 . 1 . 1 80 80 SER N N 15 120.73 0.05 . 1 . . . . . 304 SER N . 52921 1 121 . 1 . 1 81 81 VAL H H 1 8.7279 0.05 . 1 . . . . . 305 VAL H . 52921 1 122 . 1 . 1 81 81 VAL N N 15 126.41 0.05 . 1 . . . . . 305 VAL N . 52921 1 123 . 1 . 1 82 82 LEU H H 1 8.5534 0.05 . 1 . . . . . 306 LEU H . 52921 1 124 . 1 . 1 82 82 LEU N N 15 130.19 0.05 . 1 . . . . . 306 LEU N . 52921 1 125 . 1 . 1 83 83 THR H H 1 7.9962 0.05 . 1 . . . . . 307 THR H . 52921 1 126 . 1 . 1 83 83 THR N N 15 122.73 0.05 . 1 . . . . . 307 THR N . 52921 1 127 . 1 . 1 84 84 VAL H H 1 7.9107 0.05 . 1 . . . . . 308 VAL H . 52921 1 128 . 1 . 1 84 84 VAL N N 15 120.47 0.05 . 1 . . . . . 308 VAL N . 52921 1 129 . 1 . 1 85 85 LEU H H 1 8.4281 0.05 . 1 . . . . . 309 LEU H . 52921 1 130 . 1 . 1 85 85 LEU N N 15 122.31 0.05 . 1 . . . . . 309 LEU N . 52921 1 131 . 1 . 1 87 87 GLN H H 1 9.1742 0.05 . 1 . . . . . 311 GLN H . 52921 1 132 . 1 . 1 87 87 GLN N N 15 113.25 0.05 . 1 . . . . . 311 GLN N . 52921 1 133 . 1 . 1 88 88 ASP H H 1 7.0320 0.05 . 1 . . . . . 312 ASP H . 52921 1 134 . 1 . 1 88 88 ASP N N 15 119.83 0.05 . 1 . . . . . 312 ASP N . 52921 1 135 . 1 . 1 89 89 TRP H H 1 7.7369 0.05 . 1 . . . . . 313 TRP H . 52921 1 136 . 1 . 1 89 89 TRP N N 15 118.95 0.05 . 1 . . . . . 313 TRP N . 52921 1 137 . 1 . 1 90 90 LEU H H 1 8.3182 0.05 . 1 . . . . . 314 LEU H . 52921 1 138 . 1 . 1 90 90 LEU N N 15 115.93 0.05 . 1 . . . . . 314 LEU N . 52921 1 139 . 1 . 1 91 91 ASN H H 1 8.1017 0.05 . 1 . . . . . 315 ASN H . 52921 1 140 . 1 . 1 91 91 ASN N N 15 115.76 0.05 . 1 . . . . . 315 ASN N . 52921 1 141 . 1 . 1 92 92 GLY H H 1 7.7594 0.05 . 1 . . . . . 316 GLY H . 52921 1 142 . 1 . 1 92 92 GLY N N 15 107.19 0.05 . 1 . . . . . 316 GLY N . 52921 1 143 . 1 . 1 93 93 LYS H H 1 7.4541 0.05 . 1 . . . . . 317 LYS H . 52921 1 144 . 1 . 1 93 93 LYS N N 15 118.55 0.05 . 1 . . . . . 317 LYS N . 52921 1 145 . 1 . 1 94 94 GLU H H 1 8.5419 0.05 . 1 . . . . . 318 GLU H . 52921 1 146 . 1 . 1 94 94 GLU N N 15 119.43 0.05 . 1 . . . . . 318 GLU N . 52921 1 147 . 1 . 1 95 95 TYR H H 1 9.1434 0.05 . 1 . . . . . 319 TYR H . 52921 1 148 . 1 . 1 95 95 TYR N N 15 127.12 0.05 . 1 . . . . . 319 TYR N . 52921 1 149 . 1 . 1 96 96 LYS H H 1 9.4521 0.05 . 1 . . . . . 320 LYS H . 52921 1 150 . 1 . 1 96 96 LYS N N 15 123.82 0.05 . 1 . . . . . 320 LYS N . 52921 1 151 . 1 . 1 97 97 CYS H H 1 8.7180 0.05 . 1 . . . . . 321 CYS H . 52921 1 152 . 1 . 1 97 97 CYS N N 15 125.52 0.05 . 1 . . . . . 321 CYS N . 52921 1 153 . 1 . 1 98 98 LYS H H 1 9.1134 0.05 . 1 . . . . . 322 LYS H . 52921 1 154 . 1 . 1 98 98 LYS N N 15 128.61 0.05 . 1 . . . . . 322 LYS N . 52921 1 155 . 1 . 1 99 99 VAL H H 1 9.2271 0.05 . 1 . . . . . 323 VAL H . 52921 1 156 . 1 . 1 99 99 VAL N N 15 128.61 0.05 . 1 . . . . . 323 VAL N . 52921 1 157 . 1 . 1 100 100 SER H H 1 8.3980 0.05 . 1 . . . . . 324 SER H . 52921 1 158 . 1 . 1 100 100 SER N N 15 118.66 0.05 . 1 . . . . . 324 SER N . 52921 1 159 . 1 . 1 101 101 ASN H H 1 8.1796 0.05 . 1 . . . . . 325 ASN H . 52921 1 160 . 1 . 1 101 101 ASN N N 15 121.09 0.05 . 1 . . . . . 325 ASN N . 52921 1 161 . 1 . 1 103 103 ALA H H 1 7.8380 0.05 . 1 . . . . . 327 ALA H . 52921 1 162 . 1 . 1 103 103 ALA N N 15 118.91 0.05 . 1 . . . . . 327 ALA N . 52921 1 163 . 1 . 1 104 104 LEU H H 1 7.6888 0.05 . 1 . . . . . 328 LEU H . 52921 1 164 . 1 . 1 104 104 LEU N N 15 118.58 0.05 . 1 . . . . . 328 LEU N . 52921 1 165 . 1 . 1 106 106 ALA H H 1 7.3155 0.05 . 1 . . . . . 330 ALA H . 52921 1 166 . 1 . 1 106 106 ALA N N 15 118.43 0.05 . 1 . . . . . 330 ALA N . 52921 1 167 . 1 . 1 108 108 ILE H H 1 8.3526 0.05 . 1 . . . . . 332 ILE H . 52921 1 168 . 1 . 1 108 108 ILE N N 15 121.68 0.05 . 1 . . . . . 332 ILE N . 52921 1 169 . 1 . 1 110 110 LYS H H 1 8.7108 0.05 . 1 . . . . . 334 LYS H . 52921 1 170 . 1 . 1 110 110 LYS N N 15 121.95 0.05 . 1 . . . . . 334 LYS N . 52921 1 171 . 1 . 1 111 111 THR H H 1 8.2842 0.05 . 1 . . . . . 335 THR H . 52921 1 172 . 1 . 1 111 111 THR N N 15 113.12 0.05 . 1 . . . . . 335 THR N . 52921 1 173 . 1 . 1 112 112 ILE H H 1 9.4039 0.05 . 1 . . . . . 336 ILE H . 52921 1 174 . 1 . 1 112 112 ILE N N 15 121.60 0.05 . 1 . . . . . 336 ILE N . 52921 1 175 . 1 . 1 113 113 SER H H 1 7.7184 0.05 . 1 . . . . . 337 SER H . 52921 1 176 . 1 . 1 113 113 SER N N 15 115.04 0.05 . 1 . . . . . 337 SER N . 52921 1 177 . 1 . 1 114 114 LYS H H 1 8.7310 0.05 . 1 . . . . . 338 LYS H . 52921 1 178 . 1 . 1 114 114 LYS N N 15 124.80 0.05 . 1 . . . . . 338 LYS N . 52921 1 179 . 1 . 1 115 115 ALA H H 1 8.6661 0.05 . 1 . . . . . 339 ALA H . 52921 1 180 . 1 . 1 115 115 ALA N N 15 129.05 0.05 . 1 . . . . . 339 ALA N . 52921 1 181 . 1 . 1 116 116 LYS H H 1 8.4040 0.05 . 1 . . . . . 340 LYS H . 52921 1 182 . 1 . 1 116 116 LYS N N 15 120.92 0.05 . 1 . . . . . 340 LYS N . 52921 1 183 . 1 . 1 117 117 GLY H H 1 8.5144 0.05 . 1 . . . . . 341 GLY H . 52921 1 184 . 1 . 1 117 117 GLY N N 15 111.25 0.05 . 1 . . . . . 341 GLY N . 52921 1 185 . 1 . 1 118 118 GLN H H 1 8.1773 0.05 . 1 . . . . . 342 GLN H . 52921 1 186 . 1 . 1 118 118 GLN N N 15 122.40 0.05 . 1 . . . . . 342 GLN N . 52921 1 187 . 1 . 1 120 120 ARG H H 1 9.4602 0.05 . 1 . . . . . 344 ARG H . 52921 1 188 . 1 . 1 120 120 ARG N N 15 122.43 0.05 . 1 . . . . . 344 ARG N . 52921 1 189 . 1 . 1 121 121 GLU H H 1 8.6641 0.05 . 1 . . . . . 345 GLU H . 52921 1 190 . 1 . 1 121 121 GLU N N 15 124.11 0.05 . 1 . . . . . 345 GLU N . 52921 1 191 . 1 . 1 123 123 GLN H H 1 7.9036 0.05 . 1 . . . . . 347 GLN H . 52921 1 192 . 1 . 1 123 123 GLN N N 15 122.37 0.05 . 1 . . . . . 347 GLN N . 52921 1 193 . 1 . 1 124 124 VAL H H 1 7.8426 0.05 . 1 . . . . . 348 VAL H . 52921 1 194 . 1 . 1 124 124 VAL N N 15 122.38 0.05 . 1 . . . . . 348 VAL N . 52921 1 195 . 1 . 1 125 125 TYR H H 1 9.3851 0.05 . 1 . . . . . 349 TYR H . 52921 1 196 . 1 . 1 125 125 TYR N N 15 124.94 0.05 . 1 . . . . . 349 TYR N . 52921 1 197 . 1 . 1 126 126 THR H H 1 8.6807 0.05 . 1 . . . . . 350 THR H . 52921 1 198 . 1 . 1 126 126 THR N N 15 112.29 0.05 . 1 . . . . . 350 THR N . 52921 1 199 . 1 . 1 127 127 LEU H H 1 9.4889 0.05 . 1 . . . . . 351 LEU H . 52921 1 200 . 1 . 1 127 127 LEU N N 15 124.42 0.05 . 1 . . . . . 351 LEU N . 52921 1 201 . 1 . 1 130 130 SER H H 1 8.9427 0.05 . 1 . . . . . 354 SER H . 52921 1 202 . 1 . 1 130 130 SER N N 15 117.63 0.05 . 1 . . . . . 354 SER N . 52921 1 203 . 1 . 1 131 131 ARG H H 1 9.0551 0.05 . 1 . . . . . 355 ARG H . 52921 1 204 . 1 . 1 131 131 ARG N N 15 128.27 0.05 . 1 . . . . . 355 ARG N . 52921 1 205 . 1 . 1 132 132 ASP H H 1 8.3911 0.05 . 1 . . . . . 356 ASP H . 52921 1 206 . 1 . 1 132 132 ASP N N 15 117.67 0.05 . 1 . . . . . 356 ASP N . 52921 1 207 . 1 . 1 134 134 LEU H H 1 7.2403 0.05 . 1 . . . . . 358 LEU H . 52921 1 208 . 1 . 1 134 134 LEU N N 15 114.39 0.05 . 1 . . . . . 358 LEU N . 52921 1 209 . 1 . 1 135 135 THR H H 1 7.0499 0.05 . 1 . . . . . 359 THR H . 52921 1 210 . 1 . 1 135 135 THR N N 15 106.89 0.05 . 1 . . . . . 359 THR N . 52921 1 211 . 1 . 1 136 136 LYS H H 1 7.9351 0.05 . 1 . . . . . 360 LYS H . 52921 1 212 . 1 . 1 136 136 LYS N N 15 122.39 0.05 . 1 . . . . . 360 LYS N . 52921 1 213 . 1 . 1 138 138 GLN H H 1 7.4773 0.05 . 1 . . . . . 362 GLN H . 52921 1 214 . 1 . 1 138 138 GLN N N 15 118.22 0.05 . 1 . . . . . 362 GLN N . 52921 1 215 . 1 . 1 139 139 VAL H H 1 8.7045 0.05 . 1 . . . . . 363 VAL H . 52921 1 216 . 1 . 1 139 139 VAL N N 15 111.01 0.05 . 1 . . . . . 363 VAL N . 52921 1 217 . 1 . 1 140 140 SER H H 1 8.8902 0.05 . 1 . . . . . 364 SER H . 52921 1 218 . 1 . 1 140 140 SER N N 15 114.95 0.05 . 1 . . . . . 364 SER N . 52921 1 219 . 1 . 1 141 141 LEU H H 1 9.3273 0.05 . 1 . . . . . 365 LEU H . 52921 1 220 . 1 . 1 141 141 LEU N N 15 128.83 0.05 . 1 . . . . . 365 LEU N . 52921 1 221 . 1 . 1 142 142 THR H H 1 7.9727 0.05 . 1 . . . . . 366 THR H . 52921 1 222 . 1 . 1 142 142 THR N N 15 117.91 0.05 . 1 . . . . . 366 THR N . 52921 1 223 . 1 . 1 143 143 CYS H H 1 9.7992 0.05 . 1 . . . . . 367 CYS H . 52921 1 224 . 1 . 1 143 143 CYS N N 15 128.85 0.05 . 1 . . . . . 367 CYS N . 52921 1 225 . 1 . 1 144 144 LEU H H 1 9.4776 0.05 . 1 . . . . . 368 LEU H . 52921 1 226 . 1 . 1 144 144 LEU N N 15 131.42 0.05 . 1 . . . . . 368 LEU N . 52921 1 227 . 1 . 1 145 145 VAL H H 1 8.3149 0.05 . 1 . . . . . 369 VAL H . 52921 1 228 . 1 . 1 145 145 VAL N N 15 127.20 0.05 . 1 . . . . . 369 VAL N . 52921 1 229 . 1 . 1 146 146 LYS H H 1 9.3460 0.05 . 1 . . . . . 370 LYS H . 52921 1 230 . 1 . 1 146 146 LYS N N 15 122.64 0.05 . 1 . . . . . 370 LYS N . 52921 1 231 . 1 . 1 147 147 GLY H H 1 8.3455 0.05 . 1 . . . . . 371 GLY H . 52921 1 232 . 1 . 1 147 147 GLY N N 15 111.11 0.05 . 1 . . . . . 371 GLY N . 52921 1 233 . 1 . 1 148 148 PHE H H 1 7.8099 0.05 . 1 . . . . . 372 PHE H . 52921 1 234 . 1 . 1 148 148 PHE N N 15 111.43 0.05 . 1 . . . . . 372 PHE N . 52921 1 235 . 1 . 1 149 149 TYR H H 1 8.3622 0.05 . 1 . . . . . 373 TYR H . 52921 1 236 . 1 . 1 149 149 TYR N N 15 119.93 0.05 . 1 . . . . . 373 TYR N . 52921 1 237 . 1 . 1 151 151 SER H H 1 8.3152 0.05 . 1 . . . . . 375 SER H . 52921 1 238 . 1 . 1 151 151 SER N N 15 112.04 0.05 . 1 . . . . . 375 SER N . 52921 1 239 . 1 . 1 152 152 ASP H H 1 6.7951 0.05 . 1 . . . . . 376 ASP H . 52921 1 240 . 1 . 1 152 152 ASP N N 15 120.66 0.05 . 1 . . . . . 376 ASP N . 52921 1 241 . 1 . 1 153 153 ILE H H 1 7.9967 0.05 . 1 . . . . . 377 ILE H . 52921 1 242 . 1 . 1 153 153 ILE N N 15 124.02 0.05 . 1 . . . . . 377 ILE N . 52921 1 243 . 1 . 1 154 154 ALA H H 1 8.1804 0.05 . 1 . . . . . 378 ALA H . 52921 1 244 . 1 . 1 154 154 ALA N N 15 126.46 0.05 . 1 . . . . . 378 ALA N . 52921 1 245 . 1 . 1 156 156 GLU H H 1 8.9182 0.05 . 1 . . . . . 380 GLU H . 52921 1 246 . 1 . 1 156 156 GLU N N 15 125.85 0.05 . 1 . . . . . 380 GLU N . 52921 1 247 . 1 . 1 157 157 TRP H H 1 6.1843 0.05 . 1 . . . . . 381 TRP H . 52921 1 248 . 1 . 1 157 157 TRP N N 15 114.86 0.05 . 1 . . . . . 381 TRP N . 52921 1 249 . 1 . 1 158 158 GLU H H 1 9.1438 0.05 . 1 . . . . . 382 GLU H . 52921 1 250 . 1 . 1 158 158 GLU N N 15 118.50 0.05 . 1 . . . . . 382 GLU N . 52921 1 251 . 1 . 1 159 159 SER H H 1 8.9823 0.05 . 1 . . . . . 383 SER H . 52921 1 252 . 1 . 1 159 159 SER N N 15 113.13 0.05 . 1 . . . . . 383 SER N . 52921 1 253 . 1 . 1 160 160 ASN H H 1 9.4637 0.05 . 1 . . . . . 384 ASN H . 52921 1 254 . 1 . 1 160 160 ASN N N 15 126.54 0.05 . 1 . . . . . 384 ASN N . 52921 1 255 . 1 . 1 161 161 GLY H H 1 8.7678 0.05 . 1 . . . . . 385 GLY H . 52921 1 256 . 1 . 1 161 161 GLY N N 15 103.82 0.05 . 1 . . . . . 385 GLY N . 52921 1 257 . 1 . 1 162 162 GLN H H 1 7.9835 0.05 . 1 . . . . . 386 GLN H . 52921 1 258 . 1 . 1 162 162 GLN N N 15 119.93 0.05 . 1 . . . . . 386 GLN N . 52921 1 259 . 1 . 1 163 163 ASN H H 1 8.4664 0.05 . 1 . . . . . 387 ASN H . 52921 1 260 . 1 . 1 163 163 ASN N N 15 115.76 0.05 . 1 . . . . . 387 ASN N . 52921 1 261 . 1 . 1 167 167 TYR H H 1 7.5936 0.05 . 1 . . . . . 391 TYR H . 52921 1 262 . 1 . 1 167 167 TYR N N 15 115.45 0.05 . 1 . . . . . 391 TYR N . 52921 1 263 . 1 . 1 168 168 LYS H H 1 8.5287 0.05 . 1 . . . . . 392 LYS H . 52921 1 264 . 1 . 1 168 168 LYS N N 15 119.44 0.05 . 1 . . . . . 392 LYS N . 52921 1 265 . 1 . 1 169 169 THR H H 1 9.1272 0.05 . 1 . . . . . 393 THR H . 52921 1 266 . 1 . 1 169 169 THR N N 15 121.18 0.05 . 1 . . . . . 393 THR N . 52921 1 267 . 1 . 1 170 170 THR H H 1 9.6122 0.05 . 1 . . . . . 394 THR H . 52921 1 268 . 1 . 1 170 170 THR N N 15 118.29 0.05 . 1 . . . . . 394 THR N . 52921 1 269 . 1 . 1 173 173 VAL H H 1 9.3004 0.05 . 1 . . . . . 397 VAL H . 52921 1 270 . 1 . 1 173 173 VAL N N 15 126.45 0.05 . 1 . . . . . 397 VAL N . 52921 1 271 . 1 . 1 174 174 LEU H H 1 8.3905 0.05 . 1 . . . . . 398 LEU H . 52921 1 272 . 1 . 1 174 174 LEU N N 15 128.03 0.05 . 1 . . . . . 398 LEU N . 52921 1 273 . 1 . 1 175 175 ASP H H 1 9.6119 0.05 . 1 . . . . . 399 ASP H . 52921 1 274 . 1 . 1 175 175 ASP N N 15 128.91 0.05 . 1 . . . . . 399 ASP N . 52921 1 275 . 1 . 1 176 176 SER H H 1 9.8540 0.05 . 1 . . . . . 400 SER H . 52921 1 276 . 1 . 1 176 176 SER N N 15 116.38 0.05 . 1 . . . . . 400 SER N . 52921 1 277 . 1 . 1 177 177 ASP H H 1 7.6487 0.05 . 1 . . . . . 401 ASP H . 52921 1 278 . 1 . 1 177 177 ASP N N 15 117.68 0.05 . 1 . . . . . 401 ASP N . 52921 1 279 . 1 . 1 178 178 GLY H H 1 7.7346 0.05 . 1 . . . . . 402 GLY H . 52921 1 280 . 1 . 1 178 178 GLY N N 15 107.73 0.05 . 1 . . . . . 402 GLY N . 52921 1 281 . 1 . 1 179 179 SER H H 1 7.5885 0.05 . 1 . . . . . 403 SER H . 52921 1 282 . 1 . 1 179 179 SER N N 15 114.99 0.05 . 1 . . . . . 403 SER N . 52921 1 283 . 1 . 1 180 180 PHE H H 1 8.7434 0.05 . 1 . . . . . 404 PHE H . 52921 1 284 . 1 . 1 180 180 PHE N N 15 115.67 0.05 . 1 . . . . . 404 PHE N . 52921 1 285 . 1 . 1 181 181 PHE H H 1 8.7704 0.05 . 1 . . . . . 405 PHE H . 52921 1 286 . 1 . 1 181 181 PHE N N 15 111.78 0.05 . 1 . . . . . 405 PHE N . 52921 1 287 . 1 . 1 182 182 LEU H H 1 9.6147 0.05 . 1 . . . . . 406 LEU H . 52921 1 288 . 1 . 1 182 182 LEU N N 15 114.86 0.05 . 1 . . . . . 406 LEU N . 52921 1 289 . 1 . 1 183 183 TYR H H 1 8.1513 0.05 . 1 . . . . . 407 TYR H . 52921 1 290 . 1 . 1 183 183 TYR N N 15 115.83 0.05 . 1 . . . . . 407 TYR N . 52921 1 291 . 1 . 1 184 184 SER H H 1 9.4027 0.05 . 1 . . . . . 408 SER H . 52921 1 292 . 1 . 1 184 184 SER N N 15 114.56 0.05 . 1 . . . . . 408 SER N . 52921 1 293 . 1 . 1 185 185 LYS H H 1 9.6031 0.05 . 1 . . . . . 409 LYS H . 52921 1 294 . 1 . 1 185 185 LYS N N 15 131.37 0.05 . 1 . . . . . 409 LYS N . 52921 1 295 . 1 . 1 186 186 LEU H H 1 9.3302 0.05 . 1 . . . . . 410 LEU H . 52921 1 296 . 1 . 1 186 186 LEU N N 15 134.47 0.05 . 1 . . . . . 410 LEU N . 52921 1 297 . 1 . 1 188 188 VAL H H 1 8.5073 0.05 . 1 . . . . . 412 VAL H . 52921 1 298 . 1 . 1 188 188 VAL N N 15 119.72 0.05 . 1 . . . . . 412 VAL N . 52921 1 299 . 1 . 1 190 190 LYS H H 1 8.7812 0.05 . 1 . . . . . 414 LYS H . 52921 1 300 . 1 . 1 190 190 LYS N N 15 126.99 0.05 . 1 . . . . . 414 LYS N . 52921 1 301 . 1 . 1 191 191 SER H H 1 8.8702 0.05 . 1 . . . . . 415 SER H . 52921 1 302 . 1 . 1 191 191 SER N N 15 113.57 0.05 . 1 . . . . . 415 SER N . 52921 1 303 . 1 . 1 192 192 ARG H H 1 7.5006 0.05 . 1 . . . . . 416 ARG H . 52921 1 304 . 1 . 1 192 192 ARG N N 15 120.28 0.05 . 1 . . . . . 416 ARG N . 52921 1 305 . 1 . 1 193 193 TRP H H 1 7.5563 0.05 . 1 . . . . . 417 TRP H . 52921 1 306 . 1 . 1 193 193 TRP N N 15 119.58 0.05 . 1 . . . . . 417 TRP N . 52921 1 307 . 1 . 1 194 194 GLN H H 1 8.6034 0.05 . 1 . . . . . 418 GLN H . 52921 1 308 . 1 . 1 194 194 GLN N N 15 115.44 0.05 . 1 . . . . . 418 GLN N . 52921 1 309 . 1 . 1 195 195 GLN H H 1 7.7722 0.05 . 1 . . . . . 419 GLN H . 52921 1 310 . 1 . 1 195 195 GLN N N 15 115.88 0.05 . 1 . . . . . 419 GLN N . 52921 1 311 . 1 . 1 196 196 GLY H H 1 7.6425 0.05 . 1 . . . . . 420 GLY H . 52921 1 312 . 1 . 1 196 196 GLY N N 15 105.26 0.05 . 1 . . . . . 420 GLY N . 52921 1 313 . 1 . 1 197 197 ASN H H 1 6.9274 0.05 . 1 . . . . . 421 ASN H . 52921 1 314 . 1 . 1 197 197 ASN N N 15 116.24 0.05 . 1 . . . . . 421 ASN N . 52921 1 315 . 1 . 1 198 198 VAL H H 1 8.3677 0.05 . 1 . . . . . 422 VAL H . 52921 1 316 . 1 . 1 198 198 VAL N N 15 121.26 0.05 . 1 . . . . . 422 VAL N . 52921 1 317 . 1 . 1 199 199 PHE H H 1 9.1602 0.05 . 1 . . . . . 423 PHE H . 52921 1 318 . 1 . 1 199 199 PHE N N 15 128.64 0.05 . 1 . . . . . 423 PHE N . 52921 1 319 . 1 . 1 200 200 SER H H 1 9.5912 0.05 . 1 . . . . . 424 SER H . 52921 1 320 . 1 . 1 200 200 SER N N 15 115.43 0.05 . 1 . . . . . 424 SER N . 52921 1 321 . 1 . 1 201 201 CYS H H 1 8.6791 0.05 . 1 . . . . . 425 CYS H . 52921 1 322 . 1 . 1 201 201 CYS N N 15 126.58 0.05 . 1 . . . . . 425 CYS N . 52921 1 323 . 1 . 1 202 202 SER H H 1 8.8863 0.05 . 1 . . . . . 426 SER H . 52921 1 324 . 1 . 1 202 202 SER N N 15 123.90 0.05 . 1 . . . . . 426 SER N . 52921 1 325 . 1 . 1 203 203 VAL H H 1 8.5468 0.05 . 1 . . . . . 427 VAL H . 52921 1 326 . 1 . 1 203 203 VAL N N 15 124.02 0.05 . 1 . . . . . 427 VAL N . 52921 1 327 . 1 . 1 204 204 MET H H 1 8.8101 0.05 . 1 . . . . . 428 MET H . 52921 1 328 . 1 . 1 204 204 MET N N 15 123.50 0.05 . 1 . . . . . 428 MET N . 52921 1 329 . 1 . 1 205 205 HIS H H 1 7.1824 0.05 . 1 . . . . . 429 HIS H . 52921 1 330 . 1 . 1 205 205 HIS N N 15 120.23 0.05 . 1 . . . . . 429 HIS N . 52921 1 331 . 1 . 1 206 206 GLU H H 1 8.7699 0.05 . 1 . . . . . 430 GLU H . 52921 1 332 . 1 . 1 206 206 GLU N N 15 126.13 0.05 . 1 . . . . . 430 GLU N . 52921 1 333 . 1 . 1 207 207 ALA H H 1 10.552 0.05 . 1 . . . . . 431 ALA H . 52921 1 334 . 1 . 1 207 207 ALA N N 15 124.40 0.05 . 1 . . . . . 431 ALA N . 52921 1 335 . 1 . 1 208 208 LEU H H 1 7.2893 0.05 . 1 . . . . . 432 LEU H . 52921 1 336 . 1 . 1 208 208 LEU N N 15 116.71 0.05 . 1 . . . . . 432 LEU N . 52921 1 337 . 1 . 1 209 209 HIS H H 1 8.0333 0.05 . 1 . . . . . 433 HIS H . 52921 1 338 . 1 . 1 209 209 HIS N N 15 121.08 0.05 . 1 . . . . . 433 HIS N . 52921 1 339 . 1 . 1 211 211 HIS H H 1 8.5552 0.05 . 1 . . . . . 435 HIS H . 52921 1 340 . 1 . 1 211 211 HIS N N 15 108.83 0.05 . 1 . . . . . 435 HIS N . 52921 1 341 . 1 . 1 212 212 TYR H H 1 7.4151 0.05 . 1 . . . . . 436 TYR H . 52921 1 342 . 1 . 1 212 212 TYR N N 15 118.70 0.05 . 1 . . . . . 436 TYR N . 52921 1 343 . 1 . 1 213 213 THR H H 1 8.4495 0.05 . 1 . . . . . 437 THR H . 52921 1 344 . 1 . 1 213 213 THR N N 15 120.98 0.05 . 1 . . . . . 437 THR N . 52921 1 345 . 1 . 1 214 214 GLN H H 1 7.7450 0.05 . 1 . . . . . 438 GLN H . 52921 1 346 . 1 . 1 214 214 GLN N N 15 120.02 0.05 . 1 . . . . . 438 GLN N . 52921 1 347 . 1 . 1 215 215 LYS H H 1 8.5598 0.05 . 1 . . . . . 439 LYS H . 52921 1 348 . 1 . 1 215 215 LYS N N 15 123.47 0.05 . 1 . . . . . 439 LYS N . 52921 1 349 . 1 . 1 216 216 SER H H 1 8.7076 0.05 . 1 . . . . . 440 SER H . 52921 1 350 . 1 . 1 216 216 SER N N 15 118.84 0.05 . 1 . . . . . 440 SER N . 52921 1 351 . 1 . 1 217 217 LEU H H 1 9.5676 0.05 . 1 . . . . . 441 LEU H . 52921 1 352 . 1 . 1 217 217 LEU N N 15 124.41 0.05 . 1 . . . . . 441 LEU N . 52921 1 353 . 1 . 1 218 218 SER H H 1 8.3650 0.05 . 1 . . . . . 442 SER H . 52921 1 354 . 1 . 1 218 218 SER N N 15 115.96 0.05 . 1 . . . . . 442 SER N . 52921 1 355 . 1 . 1 219 219 LEU H H 1 8.7095 0.05 . 1 . . . . . 443 LEU H . 52921 1 356 . 1 . 1 219 219 LEU N N 15 124.47 0.05 . 1 . . . . . 443 LEU N . 52921 1 357 . 1 . 1 220 220 SER H H 1 8.2522 0.05 . 1 . . . . . 444 SER H . 52921 1 358 . 1 . 1 220 220 SER N N 15 119.80 0.05 . 1 . . . . . 444 SER N . 52921 1 359 . 1 . 1 222 222 GLY H H 1 7.9618 0.05 . 1 . . . . . 446 GLY H . 52921 1 360 . 1 . 1 222 222 GLY N N 15 115.30 0.05 . 1 . . . . . 446 GLY N . 52921 1 361 . 1 . 1 224 224 GN1 H1 H 1 4.977 0.05 . 1 . . . . . 447 GN1 H1 . 52921 1 362 . 1 . 1 224 224 GN1 H3 H 1 3.8857 0.05 . 1 . . . . . 447 GN1 H3 . 52921 1 363 . 1 . 1 224 224 GN1 H4 H 1 3.721 0.05 . 1 . . . . . 447 GN1 H4 . 52921 1 364 . 1 . 1 224 224 GN1 H8 H 1 2.0613 0.05 . 1 . . . . . 447 GN1 H8 . 52921 1 365 . 1 . 1 224 224 GN1 C1 C 13 79.044 0.05 . 1 . . . . . 447 GN1 C1 . 52921 1 366 . 1 . 1 224 224 GN1 C3 C 13 72.110 0.05 . 1 . . . . . 447 GN1 C3 . 52921 1 367 . 1 . 1 224 224 GN1 C4 C 13 82.53 0.05 . 1 . . . . . 447 GN1 C4 . 52921 1 368 . 1 . 1 224 224 GN1 C7 C 13 175.59 0.05 . 1 . . . . . 447 GN1 C7 . 52921 1 369 . 1 . 1 224 224 GN1 C8 C 13 22.187 0.05 . 1 . . . . . 447 GN1 C8 . 52921 1 370 . 1 . 1 225 225 GN2 H1 H 1 4.671 0.05 . 1 . . . . . 448 GN2 H1 . 52921 1 371 . 1 . 1 225 225 GN2 H4 H 1 2.966 0.05 . 1 . . . . . 448 GN2 H4 . 52921 1 372 . 1 . 1 225 225 GN2 H8 H 1 2.1619 0.05 . 1 . . . . . 448 GN2 H8 . 52921 1 373 . 1 . 1 225 225 GN2 C1 C 13 103.24 0.05 . 1 . . . . . 448 GN2 C1 . 52921 1 374 . 1 . 1 225 225 GN2 C4 C 13 83.31 0.05 . 1 . . . . . 448 GN2 C4 . 52921 1 375 . 1 . 1 225 225 GN2 C7 C 13 174.45 0.05 . 1 . . . . . 448 GN2 C7 . 52921 1 376 . 1 . 1 225 225 GN2 C8 C 13 22.764 0.05 . 1 . . . . . 448 GN2 C8 . 52921 1 377 . 1 . 1 225 225 GN2 N N 15 122.28 0.05 . 1 . . . . . 448 GN2 N . 52921 1 378 . 1 . 1 225 225 GN2 NH N 15 8.1106 0.05 . 1 . . . . . 448 GN2 NH . 52921 1 379 . 1 . 1 226 226 M3 H1 H 1 3.2942 0.05 . 1 . . . . . 449 M3 H1 . 52921 1 380 . 1 . 1 226 226 M3 H3 H 1 3.5337 0.05 . 1 . . . . . 449 M3 H3 . 52921 1 381 . 1 . 1 226 226 M3 H4 H 1 3.7146 0.05 . 1 . . . . . 449 M3 H4 . 52921 1 382 . 1 . 1 226 226 M3 H5 H 1 3.2013 0.05 . 1 . . . . . 449 M3 H5 . 52921 1 383 . 1 . 1 226 226 M3 C1 C 13 100.82 0.05 . 1 . . . . . 449 M3 C1 . 52921 1 384 . 1 . 1 226 226 M3 C3 C 13 80.313 0.05 . 1 . . . . . 449 M3 C3 . 52921 1 385 . 1 . 1 226 226 M3 C4 C 13 66.250 0.05 . 1 . . . . . 449 M3 C4 . 52921 1 386 . 1 . 1 226 226 M3 C5 C 13 75.430 0.05 . 1 . . . . . 449 M3 C5 . 52921 1 387 . 1 . 1 227 227 M4 H1 H 1 5.4061 0.05 . 1 . . . . . 450 M4 H1 . 52921 1 388 . 1 . 1 227 227 M4 H2 H 1 4.3941 0.05 . 1 . . . . . 450 M4 H2 . 52921 1 389 . 1 . 1 227 227 M4 H3 H 1 4.0666 0.05 . 1 . . . . . 450 M4 H3 . 52921 1 390 . 1 . 1 227 227 M4 H4 H 1 3.8515 0.05 . 1 . . . . . 450 M4 H4 . 52921 1 391 . 1 . 1 227 227 M4 H5 H 1 3.9835 0.05 . 1 . . . . . 450 M4 H5 . 52921 1 392 . 1 . 1 227 227 M4 C1 C 13 101.01 0.05 . 1 . . . . . 450 M4 C1 . 52921 1 393 . 1 . 1 227 227 M4 C2 C 13 78.458 0.05 . 1 . . . . . 450 M4 C2 . 52921 1 394 . 1 . 1 227 227 M4 C3 C 13 68.398 0.05 . 1 . . . . . 450 M4 C3 . 52921 1 395 . 1 . 1 227 227 M4 C4 C 13 67.52 0.05 . 1 . . . . . 450 M4 C4 . 52921 1 396 . 1 . 1 227 227 M4 C5 C 13 73.868 0.05 . 1 . . . . . 450 M4 C5 . 52921 1 397 . 1 . 1 228 228 GN5 H1 H 1 4.8781 0.05 . 1 . . . . . 451 GN5 H1 . 52921 1 398 . 1 . 1 228 228 GN5 H5 H 1 3.7146 0.05 . 1 . . . . . 451 GN5 H5 . 52921 1 399 . 1 . 1 228 228 GN5 H8 H 1 2.2062 0.05 . 1 . . . . . 451 GN5 H8 . 52921 1 400 . 1 . 1 228 228 GN5 C1 C 13 101.21 0.05 . 1 . . . . . 451 GN5 C1 . 52921 1 401 . 1 . 1 228 228 GN5 C5 C 13 76.407 0.05 . 1 . . . . . 451 GN5 C5 . 52921 1 402 . 1 . 1 228 228 GN5 C7 C 13 175.03 0.05 . 1 . . . . . 451 GN5 C7 . 52921 1 403 . 1 . 1 228 228 GN5 C8 C 13 23.156 0.05 . 1 . . . . . 451 GN5 C8 . 52921 1 404 . 1 . 1 228 228 GN5 N N 15 121.90 0.05 . 1 . . . . . 451 GN5 N . 52921 1 405 . 1 . 1 228 228 GN5 NH N 15 8.3206 0.05 . 1 . . . . . 451 GN5 NH . 52921 1 406 . 1 . 1 229 229 M4 H1 H 1 4.7999 0.05 . 1 . . . . . 453 M4 H1 . 52921 1 407 . 1 . 1 229 229 M4 H2 H 1 3.5777 0.05 . 1 . . . . . 453 M4 H2 . 52921 1 408 . 1 . 1 229 229 M4 H4 H 1 3.4751 0.05 . 1 . . . . . 453 M4 H4 . 52921 1 409 . 1 . 1 229 229 M4 H5 H 1 3.6022 0.05 . 1 . . . . . 453 M4 H5 . 52921 1 410 . 1 . 1 229 229 M4 C1 C 13 98.088 0.05 . 1 . . . . . 453 M4 C1 . 52921 1 411 . 1 . 1 229 229 M4 C2 C 13 76.114 0.05 . 1 . . . . . 453 M4 C2 . 52921 1 412 . 1 . 1 229 229 M4 C4 C 13 68.106 0.05 . 1 . . . . . 453 M4 C4 . 52921 1 413 . 1 . 1 229 229 M4 C5 C 13 72.891 0.05 . 1 . . . . . 453 M4 C5 . 52921 1 414 . 1 . 1 230 230 GN5 H1 H 1 3.225 0.05 . 1 . . . . . 454 GN5 H1 . 52921 1 415 . 1 . 1 230 230 GN5 H3 H 1 3.2942 0.05 . 1 . . . . . 454 GN5 H3 . 52921 1 416 . 1 . 1 230 230 GN5 H4 H 1 3.4751 0.05 . 1 . . . . . 454 GN5 H4 . 52921 1 417 . 1 . 1 230 230 GN5 H5 H 1 2.188 0.05 . 1 . . . . . 454 GN5 H5 . 52921 1 418 . 1 . 1 230 230 GN5 H8 H 1 2.1452 0.05 . 1 . . . . . 454 GN5 H8 . 52921 1 419 . 1 . 1 230 230 GN5 C1 C 13 100.69 0.05 . 1 . . . . . 454 GN5 C1 . 52921 1 420 . 1 . 1 230 230 GN5 C3 C 13 72.891 0.05 . 1 . . . . . 454 GN5 C3 . 52921 1 421 . 1 . 1 230 230 GN5 C4 C 13 68.106 0.05 . 1 . . . . . 454 GN5 C4 . 52921 1 422 . 1 . 1 230 230 GN5 C5 C 13 75.47 0.05 . 1 . . . . . 454 GN5 C5 . 52921 1 423 . 1 . 1 230 230 GN5 C7 C 13 175.04 0.05 . 1 . . . . . 454 GN5 C7 . 52921 1 424 . 1 . 1 230 230 GN5 C8 C 13 22.656 0.05 . 1 . . . . . 454 GN5 C8 . 52921 1 425 . 1 . 1 230 230 GN5 N N 15 121.03 0.05 . 1 . . . . . 454 GN5 N . 52921 1 426 . 1 . 1 230 230 GN5 NH N 15 8.0206 0.05 . 1 . . . . . 454 GN5 NH . 52921 1 stop_ save_