################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 28033 _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 $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 28033 1 2 '3D HNCO' . . . 28033 1 3 '3D HNCA' . . . 28033 1 4 '3D HNCACB' . . . 28033 1 5 '3D HN(CO)CA' . . . 28033 1 6 '3D CBCA(CO)NH' . . . 28033 1 7 '3D HCACO' . . . 28033 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 $NMRPipe . . 28033 1 2 $NMRView . . 28033 1 3 $CARA . . 28033 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 5 5 MET H H 1 8.1720 0.0000 . 1 . . . . . 273 MET H . 28033 1 2 . 1 . 1 5 5 MET C C 13 175.9770 0.0000 . 1 . . . . . 273 MET C . 28033 1 3 . 1 . 1 5 5 MET CA C 13 55.2720 0.0000 . 1 . . . . . 273 MET CA . 28033 1 4 . 1 . 1 5 5 MET CB C 13 31.5260 0.0000 . 1 . . . . . 273 MET CB . 28033 1 5 . 1 . 1 5 5 MET N N 15 120.6950 0.0000 . 1 . . . . . 273 MET N . 28033 1 6 . 1 . 1 6 6 ASN H H 1 8.3180 0.0000 . 1 . . . . . 274 ASN H . 28033 1 7 . 1 . 1 6 6 ASN C C 13 174.9270 0.0000 . 1 . . . . . 274 ASN C . 28033 1 8 . 1 . 1 6 6 ASN CA C 13 53.3350 0.0000 . 1 . . . . . 274 ASN CA . 28033 1 9 . 1 . 1 6 6 ASN CB C 13 38.2210 0.0000 . 1 . . . . . 274 ASN CB . 28033 1 10 . 1 . 1 6 6 ASN N N 15 119.4190 0.0000 . 1 . . . . . 274 ASN N . 28033 1 11 . 1 . 1 7 7 GLU H H 1 8.1430 0.0000 . 1 . . . . . 275 GLU H . 28033 1 12 . 1 . 1 7 7 GLU C C 13 176.0620 0.0000 . 1 . . . . . 275 GLU C . 28033 1 13 . 1 . 1 7 7 GLU CA C 13 56.2860 0.0000 . 1 . . . . . 275 GLU CA . 28033 1 14 . 1 . 1 7 7 GLU CB C 13 29.2400 0.0000 . 1 . . . . . 275 GLU CB . 28033 1 15 . 1 . 1 7 7 GLU N N 15 121.2630 0.0000 . 1 . . . . . 275 GLU N . 28033 1 16 . 1 . 1 8 8 VAL H H 1 7.9600 0.0000 . 1 . . . . . 276 VAL H . 28033 1 17 . 1 . 1 8 8 VAL C C 13 175.7780 0.0000 . 1 . . . . . 276 VAL C . 28033 1 18 . 1 . 1 8 8 VAL CA C 13 61.9740 0.0000 . 1 . . . . . 276 VAL CA . 28033 1 19 . 1 . 1 8 8 VAL CB C 13 31.5070 0.0000 . 1 . . . . . 276 VAL CB . 28033 1 20 . 1 . 1 8 8 VAL N N 15 121.5460 0.0000 . 1 . . . . . 276 VAL N . 28033 1 21 . 1 . 1 9 9 LEU H H 1 8.0770 0.0000 . 1 . . . . . 277 LEU H . 28033 1 22 . 1 . 1 9 9 LEU C C 13 176.2670 0.0000 . 1 . . . . . 277 LEU C . 28033 1 23 . 1 . 1 9 9 LEU CA C 13 54.3800 0.0000 . 1 . . . . . 277 LEU CA . 28033 1 24 . 1 . 1 9 9 LEU CB C 13 41.2420 0.0000 . 1 . . . . . 277 LEU CB . 28033 1 25 . 1 . 1 9 9 LEU N N 15 126.2260 0.0000 . 1 . . . . . 277 LEU N . 28033 1 26 . 1 . 1 10 10 ALA H H 1 7.9780 0.0000 . 1 . . . . . 278 ALA H . 28033 1 27 . 1 . 1 10 10 ALA C C 13 175.0370 0.0000 . 1 . . . . . 278 ALA C . 28033 1 28 . 1 . 1 10 10 ALA CA C 13 49.8920 0.0000 . 1 . . . . . 278 ALA CA . 28033 1 29 . 1 . 1 10 10 ALA CB C 13 17.4030 0.0000 . 1 . . . . . 278 ALA CB . 28033 1 30 . 1 . 1 10 10 ALA N N 15 126.3060 0.0000 . 1 . . . . . 278 ALA N . 28033 1 31 . 1 . 1 11 11 PRO CA C 13 62.4050 0.0000 . 1 . . . . . 279 PRO CA . 28033 1 32 . 1 . 1 11 11 PRO CB C 13 31.2000 0.0000 . 1 . . . . . 279 PRO CB . 28033 1 33 . 1 . 1 12 12 LEU H H 1 8.2540 0.0000 . 1 . . . . . 280 LEU H . 28033 1 34 . 1 . 1 12 12 LEU C C 13 176.1610 0.0000 . 1 . . . . . 280 LEU C . 28033 1 35 . 1 . 1 12 12 LEU CA C 13 55.1180 0.0000 . 1 . . . . . 280 LEU CA . 28033 1 36 . 1 . 1 12 12 LEU CB C 13 41.3230 0.0000 . 1 . . . . . 280 LEU CB . 28033 1 37 . 1 . 1 12 12 LEU N N 15 122.9820 0.0000 . 1 . . . . . 280 LEU N . 28033 1 38 . 1 . 1 13 13 LEU H H 1 7.7020 0.0000 . 1 . . . . . 281 LEU H . 28033 1 39 . 1 . 1 13 13 LEU C C 13 176.6010 0.0000 . 1 . . . . . 281 LEU C . 28033 1 40 . 1 . 1 13 13 LEU CA C 13 52.8890 0.0000 . 1 . . . . . 281 LEU CA . 28033 1 41 . 1 . 1 13 13 LEU CB C 13 42.9560 0.0000 . 1 . . . . . 281 LEU CB . 28033 1 42 . 1 . 1 13 13 LEU N N 15 122.0330 0.0000 . 1 . . . . . 281 LEU N . 28033 1 43 . 1 . 1 14 14 ARG H H 1 8.4080 0.0000 . 1 . . . . . 282 ARG H . 28033 1 44 . 1 . 1 14 14 ARG C C 13 173.0960 0.0000 . 1 . . . . . 282 ARG C . 28033 1 45 . 1 . 1 14 14 ARG CA C 13 54.2730 0.0000 . 1 . . . . . 282 ARG CA . 28033 1 46 . 1 . 1 14 14 ARG CB C 13 32.8330 0.0000 . 1 . . . . . 282 ARG CB . 28033 1 47 . 1 . 1 14 14 ARG N N 15 121.6940 0.0000 . 1 . . . . . 282 ARG N . 28033 1 48 . 1 . 1 15 15 ASP H H 1 7.9220 0.0000 . 1 . . . . . 283 ASP H . 28033 1 49 . 1 . 1 15 15 ASP C C 13 175.6930 0.0000 . 1 . . . . . 283 ASP C . 28033 1 50 . 1 . 1 15 15 ASP CA C 13 52.3660 0.0000 . 1 . . . . . 283 ASP CA . 28033 1 51 . 1 . 1 15 15 ASP CB C 13 40.7520 0.0000 . 1 . . . . . 283 ASP CB . 28033 1 52 . 1 . 1 15 15 ASP N N 15 123.6810 0.0000 . 1 . . . . . 283 ASP N . 28033 1 53 . 1 . 1 16 16 ILE H H 1 8.7300 0.0000 . 1 . . . . . 284 ILE H . 28033 1 54 . 1 . 1 16 16 ILE C C 13 170.0880 0.0000 . 1 . . . . . 284 ILE C . 28033 1 55 . 1 . 1 16 16 ILE CA C 13 57.6850 0.0000 . 1 . . . . . 284 ILE CA . 28033 1 56 . 1 . 1 16 16 ILE CB C 13 41.6500 0.0000 . 1 . . . . . 284 ILE CB . 28033 1 57 . 1 . 1 16 16 ILE N N 15 121.6520 0.0000 . 1 . . . . . 284 ILE N . 28033 1 58 . 1 . 1 17 17 GLU H H 1 7.0990 0.0000 . 1 . . . . . 285 GLU H . 28033 1 59 . 1 . 1 17 17 GLU C C 13 175.4090 0.0000 . 1 . . . . . 285 GLU C . 28033 1 60 . 1 . 1 17 17 GLU CA C 13 52.0280 0.0000 . 1 . . . . . 285 GLU CA . 28033 1 61 . 1 . 1 17 17 GLU CB C 13 32.0980 0.0000 . 1 . . . . . 285 GLU CB . 28033 1 62 . 1 . 1 17 17 GLU N N 15 120.0460 0.0000 . 1 . . . . . 285 GLU N . 28033 1 63 . 1 . 1 18 18 THR H H 1 7.9850 0.0000 . 1 . . . . . 286 THR H . 28033 1 64 . 1 . 1 18 18 THR CA C 13 60.0990 0.0000 . 1 . . . . . 286 THR CA . 28033 1 65 . 1 . 1 18 18 THR CB C 13 70.5850 0.0000 . 1 . . . . . 286 THR CB . 28033 1 66 . 1 . 1 18 18 THR N N 15 111.0120 0.0000 . 1 . . . . . 286 THR N . 28033 1 67 . 1 . 1 19 19 GLN H H 1 7.6820 0.0000 . 1 . . . . . 287 GLN H . 28033 1 68 . 1 . 1 19 19 GLN CA C 13 55.3950 0.0000 . 1 . . . . . 287 GLN CA . 28033 1 69 . 1 . 1 19 19 GLN CB C 13 31.5600 0.0000 . 1 . . . . . 287 GLN CB . 28033 1 70 . 1 . 1 19 19 GLN N N 15 120.2960 0.0000 . 1 . . . . . 287 GLN N . 28033 1 71 . 1 . 1 25 25 GLY H H 1 8.0970 0.0000 . 1 . . . . . 293 GLY H . 28033 1 72 . 1 . 1 25 25 GLY CA C 13 43.8960 0.0000 . 1 . . . . . 293 GLY CA . 28033 1 73 . 1 . 1 25 25 GLY N N 15 107.9310 0.0000 . 1 . . . . . 293 GLY N . 28033 1 74 . 1 . 1 26 26 ASP H H 1 7.8610 0.0000 . 1 . . . . . 294 ASP H . 28033 1 75 . 1 . 1 26 26 ASP CA C 13 52.0280 0.0000 . 1 . . . . . 294 ASP CA . 28033 1 76 . 1 . 1 26 26 ASP CB C 13 41.4690 0.0000 . 1 . . . . . 294 ASP CB . 28033 1 77 . 1 . 1 26 26 ASP N N 15 119.9240 0.0000 . 1 . . . . . 294 ASP N . 28033 1 78 . 1 . 1 27 27 ILE H H 1 8.5790 0.0000 . 1 . . . . . 295 ILE H . 28033 1 79 . 1 . 1 27 27 ILE C C 13 170.3860 0.0000 . 1 . . . . . 295 ILE C . 28033 1 80 . 1 . 1 27 27 ILE CA C 13 58.9310 0.0000 . 1 . . . . . 295 ILE CA . 28033 1 81 . 1 . 1 27 27 ILE CB C 13 41.1040 0.0000 . 1 . . . . . 295 ILE CB . 28033 1 82 . 1 . 1 27 27 ILE N N 15 122.9290 0.0000 . 1 . . . . . 295 ILE N . 28033 1 83 . 1 . 1 28 28 GLY H H 1 7.4830 0.0000 . 1 . . . . . 296 GLY H . 28033 1 84 . 1 . 1 28 28 GLY CA C 13 44.0500 0.0000 . 1 . . . . . 296 GLY CA . 28033 1 85 . 1 . 1 28 28 GLY N N 15 109.9180 0.0000 . 1 . . . . . 296 GLY N . 28033 1 86 . 1 . 1 29 29 THR CA C 13 59.6380 0.0000 . 1 . . . . . 297 THR CA . 28033 1 87 . 1 . 1 29 29 THR CB C 13 71.1560 0.0000 . 1 . . . . . 297 THR CB . 28033 1 88 . 1 . 1 30 30 MET H H 1 8.0350 0.0000 . 1 . . . . . 298 MET H . 28033 1 89 . 1 . 1 30 30 MET C C 13 177.8640 0.0000 . 1 . . . . . 298 MET C . 28033 1 90 . 1 . 1 30 30 MET CA C 13 53.7960 0.0000 . 1 . . . . . 298 MET CA . 28033 1 91 . 1 . 1 30 30 MET CB C 13 35.6420 0.0000 . 1 . . . . . 298 MET CB . 28033 1 92 . 1 . 1 30 30 MET N N 15 119.3940 0.0000 . 1 . . . . . 298 MET N . 28033 1 93 . 1 . 1 31 31 THR H H 1 7.7010 0.0000 . 1 . . . . . 299 THR H . 28033 1 94 . 1 . 1 31 31 THR CA C 13 60.7750 0.0000 . 1 . . . . . 299 THR CA . 28033 1 95 . 1 . 1 31 31 THR CB C 13 68.7070 0.0000 . 1 . . . . . 299 THR CB . 28033 1 96 . 1 . 1 31 31 THR N N 15 117.2590 0.0000 . 1 . . . . . 299 THR N . 28033 1 97 . 1 . 1 32 32 ASP H H 1 7.9060 0.0000 . 1 . . . . . 300 ASP H . 28033 1 98 . 1 . 1 32 32 ASP CA C 13 53.7350 0.0000 . 1 . . . . . 300 ASP CA . 28033 1 99 . 1 . 1 32 32 ASP CB C 13 41.3570 0.0000 . 1 . . . . . 300 ASP CB . 28033 1 100 . 1 . 1 32 32 ASP N N 15 120.7290 0.0000 . 1 . . . . . 300 ASP N . 28033 1 101 . 1 . 1 35 35 PRO CA C 13 62.8040 0.0000 . 1 . . . . . 303 PRO CA . 28033 1 102 . 1 . 1 35 35 PRO CB C 13 30.9550 0.0000 . 1 . . . . . 303 PRO CB . 28033 1 103 . 1 . 1 36 36 GLU H H 1 8.3510 0.0000 . 1 . . . . . 304 GLU H . 28033 1 104 . 1 . 1 36 36 GLU CA C 13 56.2560 0.0000 . 1 . . . . . 304 GLU CA . 28033 1 105 . 1 . 1 36 36 GLU CB C 13 29.3220 0.0000 . 1 . . . . . 304 GLU CB . 28033 1 106 . 1 . 1 36 36 GLU N N 15 121.3690 0.0000 . 1 . . . . . 304 GLU N . 28033 1 107 . 1 . 1 37 37 GLU H H 1 8.3010 0.0000 . 1 . . . . . 305 GLU H . 28033 1 108 . 1 . 1 37 37 GLU C C 13 175.0800 0.0000 . 1 . . . . . 305 GLU C . 28033 1 109 . 1 . 1 37 37 GLU CA C 13 56.0710 0.0000 . 1 . . . . . 305 GLU CA . 28033 1 110 . 1 . 1 37 37 GLU CB C 13 29.4040 0.0000 . 1 . . . . . 305 GLU CB . 28033 1 111 . 1 . 1 37 37 GLU N N 15 122.0780 0.0000 . 1 . . . . . 305 GLU N . 28033 1 112 . 1 . 1 38 38 GLN H H 1 8.2220 0.0000 . 1 . . . . . 306 GLN H . 28033 1 113 . 1 . 1 38 38 GLN C C 13 175.5080 0.0000 . 1 . . . . . 306 GLN C . 28033 1 114 . 1 . 1 38 38 GLN CA C 13 55.0870 0.0000 . 1 . . . . . 306 GLN CA . 28033 1 115 . 1 . 1 38 38 GLN CB C 13 29.0770 0.0000 . 1 . . . . . 306 GLN CB . 28033 1 116 . 1 . 1 38 38 GLN N N 15 121.6100 0.0000 . 1 . . . . . 306 GLN N . 28033 1 117 . 1 . 1 39 39 GLU H H 1 8.3010 0.0000 . 1 . . . . . 307 GLU H . 28033 1 118 . 1 . 1 39 39 GLU C C 13 174.4160 0.0000 . 1 . . . . . 307 GLU C . 28033 1 119 . 1 . 1 39 39 GLU CA C 13 54.0420 0.0000 . 1 . . . . . 307 GLU CA . 28033 1 120 . 1 . 1 39 39 GLU CB C 13 28.7970 0.0000 . 1 . . . . . 307 GLU CB . 28033 1 121 . 1 . 1 39 39 GLU N N 15 123.8600 0.0000 . 1 . . . . . 307 GLU N . 28033 1 122 . 1 . 1 40 40 PRO CA C 13 62.7430 0.0000 . 1 . . . . . 308 PRO CA . 28033 1 123 . 1 . 1 40 40 PRO CB C 13 30.9410 0.0000 . 1 . . . . . 308 PRO CB . 28033 1 124 . 1 . 1 41 41 VAL H H 1 7.9920 0.0000 . 1 . . . . . 309 VAL H . 28033 1 125 . 1 . 1 41 41 VAL C C 13 175.6930 0.0000 . 1 . . . . . 309 VAL C . 28033 1 126 . 1 . 1 41 41 VAL CA C 13 61.7280 0.0000 . 1 . . . . . 309 VAL CA . 28033 1 127 . 1 . 1 41 41 VAL CB C 13 31.5260 0.0000 . 1 . . . . . 309 VAL CB . 28033 1 128 . 1 . 1 41 41 VAL N N 15 120.2700 0.0000 . 1 . . . . . 309 VAL N . 28033 1 129 . 1 . 1 42 42 ALA H H 1 8.1810 0.0000 . 1 . . . . . 310 ALA H . 28033 1 130 . 1 . 1 42 42 ALA C C 13 177.4100 0.0000 . 1 . . . . . 310 ALA C . 28033 1 131 . 1 . 1 42 42 ALA CA C 13 51.7670 0.0000 . 1 . . . . . 310 ALA CA . 28033 1 132 . 1 . 1 42 42 ALA CB C 13 18.3010 0.0000 . 1 . . . . . 310 ALA CB . 28033 1 133 . 1 . 1 42 42 ALA N N 15 127.7420 0.0000 . 1 . . . . . 310 ALA N . 28033 1 134 . 1 . 1 43 43 VAL H H 1 7.9500 0.0000 . 1 . . . . . 311 VAL H . 28033 1 135 . 1 . 1 43 43 VAL C C 13 176.5590 0.0000 . 1 . . . . . 311 VAL C . 28033 1 136 . 1 . 1 43 43 VAL CA C 13 62.0050 0.0000 . 1 . . . . . 311 VAL CA . 28033 1 137 . 1 . 1 43 43 VAL CB C 13 31.7710 0.0000 . 1 . . . . . 311 VAL CB . 28033 1 138 . 1 . 1 43 43 VAL N N 15 119.8180 0.0000 . 1 . . . . . 311 VAL N . 28033 1 139 . 1 . 1 44 44 GLY H H 1 8.3030 0.0000 . 1 . . . . . 312 GLY H . 28033 1 140 . 1 . 1 44 44 GLY C C 13 173.9900 0.0000 . 1 . . . . . 312 GLY C . 28033 1 141 . 1 . 1 44 44 GLY CA C 13 44.8190 0.0000 . 1 . . . . . 312 GLY CA . 28033 1 142 . 1 . 1 44 44 GLY N N 15 112.1860 0.0000 . 1 . . . . . 312 GLY N . 28033 1 143 . 1 . 1 45 45 SER H H 1 8.0160 0.0000 . 1 . . . . . 313 SER H . 28033 1 144 . 1 . 1 45 45 SER N N 15 115.6300 0.0000 . 1 . . . . . 313 SER N . 28033 1 145 . 1 . 1 50 50 TYR H H 1 8.0070 0.0000 . 1 . . . . . 318 TYR H . 28033 1 146 . 1 . 1 50 50 TYR C C 13 175.6220 0.0000 . 1 . . . . . 318 TYR C . 28033 1 147 . 1 . 1 50 50 TYR CA C 13 57.6520 0.0000 . 1 . . . . . 318 TYR CA . 28033 1 148 . 1 . 1 50 50 TYR CB C 13 37.8940 0.0000 . 1 . . . . . 318 TYR CB . 28033 1 149 . 1 . 1 50 50 TYR N N 15 119.7910 0.0000 . 1 . . . . . 318 TYR N . 28033 1 150 . 1 . 1 51 51 SER H H 1 7.9930 0.0000 . 1 . . . . . 319 SER H . 28033 1 151 . 1 . 1 51 51 SER C C 13 175.5510 0.0000 . 1 . . . . . 319 SER C . 28033 1 152 . 1 . 1 51 51 SER CA C 13 57.6520 0.0000 . 1 . . . . . 319 SER CA . 28033 1 153 . 1 . 1 51 51 SER CB C 13 63.5300 0.0000 . 1 . . . . . 319 SER CB . 28033 1 154 . 1 . 1 51 51 SER N N 15 117.4680 0.0000 . 1 . . . . . 319 SER N . 28033 1 155 . 1 . 1 52 52 GLU H H 1 8.3060 0.0000 . 1 . . . . . 320 GLU H . 28033 1 156 . 1 . 1 52 52 GLU C C 13 176.4170 0.0000 . 1 . . . . . 320 GLU C . 28033 1 157 . 1 . 1 52 52 GLU CA C 13 56.4400 0.0000 . 1 . . . . . 320 GLU CA . 28033 1 158 . 1 . 1 52 52 GLU CB C 13 29.2400 0.0000 . 1 . . . . . 320 GLU CB . 28033 1 159 . 1 . 1 52 52 GLU N N 15 123.0090 0.0000 . 1 . . . . . 320 GLU N . 28033 1 160 . 1 . 1 53 53 THR H H 1 7.9380 0.0000 . 1 . . . . . 321 THR H . 28033 1 161 . 1 . 1 53 53 THR C C 13 174.0890 0.0000 . 1 . . . . . 321 THR C . 28033 1 162 . 1 . 1 53 53 THR CA C 13 61.3290 0.0000 . 1 . . . . . 321 THR CA . 28033 1 163 . 1 . 1 53 53 THR CB C 13 69.3260 0.0000 . 1 . . . . . 321 THR CB . 28033 1 164 . 1 . 1 53 53 THR N N 15 113.8340 0.0000 . 1 . . . . . 321 THR N . 28033 1 165 . 1 . 1 54 54 GLU H H 1 8.0820 0.0000 . 1 . . . . . 322 GLU H . 28033 1 166 . 1 . 1 54 54 GLU CA C 13 53.9810 0.0000 . 1 . . . . . 322 GLU CA . 28033 1 167 . 1 . 1 54 54 GLU CB C 13 28.8320 0.0000 . 1 . . . . . 322 GLU CB . 28033 1 168 . 1 . 1 54 54 GLU N N 15 124.5240 0.0000 . 1 . . . . . 322 GLU N . 28033 1 169 . 1 . 1 55 55 PRO CA C 13 62.8770 0.0000 . 1 . . . . . 323 PRO CA . 28033 1 170 . 1 . 1 55 55 PRO CB C 13 30.8730 0.0000 . 1 . . . . . 323 PRO CB . 28033 1 171 . 1 . 1 56 56 MET H H 1 8.1390 0.0000 . 1 . . . . . 324 MET H . 28033 1 172 . 1 . 1 56 56 MET CA C 13 54.9570 0.0000 . 1 . . . . . 324 MET CA . 28033 1 173 . 1 . 1 56 56 MET CB C 13 31.8530 0.0000 . 1 . . . . . 324 MET CB . 28033 1 174 . 1 . 1 56 56 MET N N 15 120.2220 0.0000 . 1 . . . . . 324 MET N . 28033 1 175 . 1 . 1 57 57 PHE H H 1 7.9330 0.0000 . 1 . . . . . 325 PHE H . 28033 1 176 . 1 . 1 57 57 PHE CA C 13 57.0550 0.0000 . 1 . . . . . 325 PHE CA . 28033 1 177 . 1 . 1 57 57 PHE CB C 13 38.9560 0.0000 . 1 . . . . . 325 PHE CB . 28033 1 178 . 1 . 1 57 57 PHE N N 15 120.7480 0.0000 . 1 . . . . . 325 PHE N . 28033 1 179 . 1 . 1 58 58 ASP H H 1 8.2170 0.0000 . 1 . . . . . 326 ASP H . 28033 1 180 . 1 . 1 58 58 ASP CA C 13 53.7000 0.0000 . 1 . . . . . 326 ASP CA . 28033 1 181 . 1 . 1 58 58 ASP CB C 13 40.4020 0.0000 . 1 . . . . . 326 ASP CB . 28033 1 182 . 1 . 1 58 58 ASP N N 15 121.8320 0.0000 . 1 . . . . . 326 ASP N . 28033 1 183 . 1 . 1 59 59 LEU H H 1 7.9500 0.0000 . 1 . . . . . 327 LEU H . 28033 1 184 . 1 . 1 59 59 LEU C C 13 177.0410 0.0000 . 1 . . . . . 327 LEU C . 28033 1 185 . 1 . 1 59 59 LEU CA C 13 54.9340 0.0000 . 1 . . . . . 327 LEU CA . 28033 1 186 . 1 . 1 59 59 LEU CB C 13 41.0780 0.0000 . 1 . . . . . 327 LEU CB . 28033 1 187 . 1 . 1 59 59 LEU N N 15 123.0090 0.0000 . 1 . . . . . 327 LEU N . 28033 1 188 . 1 . 1 60 60 GLN H H 1 8.3080 0.0000 . 1 . . . . . 328 GLN H . 28033 1 189 . 1 . 1 60 60 GLN C C 13 176.4170 0.0000 . 1 . . . . . 328 GLN C . 28033 1 190 . 1 . 1 60 60 GLN CA C 13 55.6410 0.0000 . 1 . . . . . 328 GLN CA . 28033 1 191 . 1 . 1 60 60 GLN CB C 13 28.3420 0.0000 . 1 . . . . . 328 GLN CB . 28033 1 192 . 1 . 1 60 60 GLN N N 15 120.8550 0.0000 . 1 . . . . . 328 GLN N . 28033 1 193 . 1 . 1 61 61 THR H H 1 8.0870 0.0000 . 1 . . . . . 329 THR H . 28033 1 194 . 1 . 1 61 61 THR C C 13 174.2310 0.0000 . 1 . . . . . 329 THR C . 28033 1 195 . 1 . 1 61 61 THR CA C 13 61.4210 0.0000 . 1 . . . . . 329 THR CA . 28033 1 196 . 1 . 1 61 61 THR CB C 13 69.1630 0.0000 . 1 . . . . . 329 THR CB . 28033 1 197 . 1 . 1 61 61 THR N N 15 113.6750 0.0000 . 1 . . . . . 329 THR N . 28033 1 198 . 1 . 1 62 62 SER H H 1 7.7760 0.0000 . 1 . . . . . 330 SER H . 28033 1 199 . 1 . 1 62 62 SER C C 13 171.8190 0.0000 . 1 . . . . . 330 SER C . 28033 1 200 . 1 . 1 62 62 SER CA C 13 56.6860 0.0000 . 1 . . . . . 330 SER CA . 28033 1 201 . 1 . 1 62 62 SER CB C 13 65.3260 0.0000 . 1 . . . . . 330 SER CB . 28033 1 202 . 1 . 1 62 62 SER N N 15 117.6370 0.0000 . 1 . . . . . 330 SER N . 28033 1 203 . 1 . 1 63 63 ALA H H 1 8.2010 0.0000 . 1 . . . . . 331 ALA H . 28033 1 204 . 1 . 1 63 63 ALA C C 13 173.6500 0.0000 . 1 . . . . . 331 ALA C . 28033 1 205 . 1 . 1 63 63 ALA CA C 13 50.2910 0.0000 . 1 . . . . . 331 ALA CA . 28033 1 206 . 1 . 1 63 63 ALA CB C 13 21.1920 0.0000 . 1 . . . . . 331 ALA CB . 28033 1 207 . 1 . 1 63 63 ALA N N 15 123.7530 0.0000 . 1 . . . . . 331 ALA N . 28033 1 208 . 1 . 1 64 64 HIS H H 1 7.5800 0.0000 . 1 . . . . . 332 HIS H . 28033 1 209 . 1 . 1 64 64 HIS C C 13 176.7150 0.0000 . 1 . . . . . 332 HIS C . 28033 1 210 . 1 . 1 64 64 HIS CA C 13 53.2430 0.0000 . 1 . . . . . 332 HIS CA . 28033 1 211 . 1 . 1 64 64 HIS CB C 13 31.2000 0.0000 . 1 . . . . . 332 HIS CB . 28033 1 212 . 1 . 1 64 64 HIS N N 15 118.1690 0.0000 . 1 . . . . . 332 HIS N . 28033 1 213 . 1 . 1 65 65 MET H H 1 8.9100 0.0000 . 1 . . . . . 333 MET H . 28033 1 214 . 1 . 1 65 65 MET C C 13 172.7700 0.0000 . 1 . . . . . 333 MET C . 28033 1 215 . 1 . 1 65 65 MET CA C 13 52.5510 0.0000 . 1 . . . . . 333 MET CA . 28033 1 216 . 1 . 1 65 65 MET CB C 13 34.7440 0.0000 . 1 . . . . . 333 MET CB . 28033 1 217 . 1 . 1 65 65 MET N N 15 122.8780 0.0000 . 1 . . . . . 333 MET N . 28033 1 218 . 1 . 1 66 66 TYR H H 1 7.3100 0.0000 . 1 . . . . . 334 TYR H . 28033 1 219 . 1 . 1 66 66 TYR C C 13 176.0620 0.0000 . 1 . . . . . 334 TYR C . 28033 1 220 . 1 . 1 66 66 TYR CA C 13 54.9800 0.0000 . 1 . . . . . 334 TYR CA . 28033 1 221 . 1 . 1 66 66 TYR CB C 13 41.5200 0.0000 . 1 . . . . . 334 TYR CB . 28033 1 222 . 1 . 1 66 66 TYR N N 15 118.5250 0.0000 . 1 . . . . . 334 TYR N . 28033 1 223 . 1 . 1 67 67 THR H H 1 8.1440 0.0000 . 1 . . . . . 335 THR H . 28033 1 224 . 1 . 1 67 67 THR C C 13 172.0040 0.0000 . 1 . . . . . 335 THR C . 28033 1 225 . 1 . 1 67 67 THR CA C 13 60.6520 0.0000 . 1 . . . . . 335 THR CA . 28033 1 226 . 1 . 1 67 67 THR CB C 13 70.7480 0.0000 . 1 . . . . . 335 THR CB . 28033 1 227 . 1 . 1 67 67 THR N N 15 110.0580 0.0000 . 1 . . . . . 335 THR N . 28033 1 228 . 1 . 1 68 68 GLN H H 1 7.8130 0.0000 . 1 . . . . . 336 GLN H . 28033 1 229 . 1 . 1 68 68 GLN CA C 13 55.2720 0.0000 . 1 . . . . . 336 GLN CA . 28033 1 230 . 1 . 1 68 68 GLN CB C 13 31.2340 0.0000 . 1 . . . . . 336 GLN CB . 28033 1 231 . 1 . 1 68 68 GLN N N 15 121.2270 0.0000 . 1 . . . . . 336 GLN N . 28033 1 232 . 1 . 1 72 72 ASP H H 1 8.1590 0.0000 . 1 . . . . . 340 ASP H . 28033 1 233 . 1 . 1 72 72 ASP CA C 13 54.3800 0.0000 . 1 . . . . . 340 ASP CA . 28033 1 234 . 1 . 1 72 72 ASP CB C 13 39.9690 0.0000 . 1 . . . . . 340 ASP CB . 28033 1 235 . 1 . 1 72 72 ASP N N 15 119.3660 0.0000 . 1 . . . . . 340 ASP N . 28033 1 236 . 1 . 1 73 73 LEU H H 1 7.6490 0.0000 . 1 . . . . . 341 LEU H . 28033 1 237 . 1 . 1 73 73 LEU C C 13 176.5870 0.0000 . 1 . . . . . 341 LEU C . 28033 1 238 . 1 . 1 73 73 LEU CA C 13 55.1800 0.0000 . 1 . . . . . 341 LEU CA . 28033 1 239 . 1 . 1 73 73 LEU CB C 13 40.7550 0.0000 . 1 . . . . . 341 LEU CB . 28033 1 240 . 1 . 1 73 73 LEU N N 15 121.3860 0.0000 . 1 . . . . . 341 LEU N . 28033 1 241 . 1 . 1 74 74 PHE H H 1 7.5720 0.0000 . 1 . . . . . 342 PHE H . 28033 1 242 . 1 . 1 74 74 PHE C C 13 175.3380 0.0000 . 1 . . . . . 342 PHE C . 28033 1 243 . 1 . 1 74 74 PHE CA C 13 56.9320 0.0000 . 1 . . . . . 342 PHE CA . 28033 1 244 . 1 . 1 74 74 PHE CB C 13 38.6290 0.0000 . 1 . . . . . 342 PHE CB . 28033 1 245 . 1 . 1 74 74 PHE N N 15 118.5410 0.0000 . 1 . . . . . 342 PHE N . 28033 1 246 . 1 . 1 75 75 GLU H H 1 7.8690 0.0000 . 1 . . . . . 343 GLU H . 28033 1 247 . 1 . 1 75 75 GLU C C 13 175.0830 0.0000 . 1 . . . . . 343 GLU C . 28033 1 248 . 1 . 1 75 75 GLU CA C 13 55.9480 0.0000 . 1 . . . . . 343 GLU CA . 28033 1 249 . 1 . 1 75 75 GLU CB C 13 29.8940 0.0000 . 1 . . . . . 343 GLU CB . 28033 1 250 . 1 . 1 75 75 GLU N N 15 122.4370 0.0000 . 1 . . . . . 343 GLU N . 28033 1 251 . 1 . 1 76 76 GLU H H 1 7.8520 0.0000 . 1 . . . . . 344 GLU H . 28033 1 252 . 1 . 1 76 76 GLU C C 13 180.8580 0.0000 . 1 . . . . . 344 GLU C . 28033 1 253 . 1 . 1 76 76 GLU CA C 13 57.6390 0.0000 . 1 . . . . . 344 GLU CA . 28033 1 254 . 1 . 1 76 76 GLU CB C 13 30.2200 0.0000 . 1 . . . . . 344 GLU CB . 28033 1 255 . 1 . 1 76 76 GLU N N 15 127.4020 0.0000 . 1 . . . . . 344 GLU N . 28033 1 stop_ save_