################################### # 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 51750 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'OLF chemical shift list' _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' . . . 51750 1 2 '3D HNCA' . . . 51750 1 3 '3D HN(CO)CA' . . . 51750 1 4 '3D HNCACB' . . . 51750 1 5 '3D HN(CO)CACB' . . . 51750 1 6 '3D HNCO' . . . 51750 1 7 '3D HN(CA)CO' . . . 51750 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 . . 51750 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 GLU H H 1 8.3435578 0.010785475 . . . . . . . 230 GLU H . 51750 1 2 . 1 . 1 3 3 GLU CA C 13 56.61898535 0.04502204365 . . . . . . . 230 GLU CA . 51750 1 3 . 1 . 1 3 3 GLU CB C 13 30.59764223 0 . . . . . . . 230 GLU CB . 51750 1 4 . 1 . 1 3 3 GLU N N 15 122.9417064 0.1203893492 . . . . . . . 230 GLU N . 51750 1 5 . 1 . 1 4 4 SER H H 1 8.330433553 0.003859988547 . . . . . . . 231 SER H . 51750 1 6 . 1 . 1 4 4 SER C C 13 172.6183419 0 . . . . . . . 231 SER C . 51750 1 7 . 1 . 1 4 4 SER CA C 13 56.53794924 0 . . . . . . . 231 SER CA . 51750 1 8 . 1 . 1 4 4 SER CB C 13 63.55929334 0 . . . . . . . 231 SER CB . 51750 1 9 . 1 . 1 4 4 SER N N 15 118.8319285 0.08012464003 . . . . . . . 231 SER N . 51750 1 10 . 1 . 1 9 9 LEU H H 1 8.291960205 0.007526063144 . . . . . . . 236 LEU H . 51750 1 11 . 1 . 1 9 9 LEU C C 13 176.8994335 0 . . . . . . . 236 LEU C . 51750 1 12 . 1 . 1 9 9 LEU CA C 13 55.17650644 0.09479481556 . . . . . . . 236 LEU CA . 51750 1 13 . 1 . 1 9 9 LEU CB C 13 42.75137239 0 . . . . . . . 236 LEU CB . 51750 1 14 . 1 . 1 9 9 LEU N N 15 124.8547896 0.06351077181 . . . . . . . 236 LEU N . 51750 1 15 . 1 . 1 10 10 ARG H H 1 8.307497096 0.005468551142 . . . . . . . 237 ARG H . 51750 1 16 . 1 . 1 10 10 ARG C C 13 176.5856405 0.3165139353 . . . . . . . 237 ARG C . 51750 1 17 . 1 . 1 10 10 ARG CA C 13 55.97647113 0.06011972858 . . . . . . . 237 ARG CA . 51750 1 18 . 1 . 1 10 10 ARG CB C 13 30.95280734 0 . . . . . . . 237 ARG CB . 51750 1 19 . 1 . 1 10 10 ARG N N 15 122.724488 0.1494297483 . . . . . . . 237 ARG N . 51750 1 20 . 1 . 1 11 11 SER H H 1 8.367746487 0.006814582415 . . . . . . . 238 SER H . 51750 1 21 . 1 . 1 11 11 SER C C 13 175.1714277 0 . . . . . . . 238 SER C . 51750 1 22 . 1 . 1 11 11 SER CA C 13 58.64316931 0.08094627896 . . . . . . . 238 SER CA . 51750 1 23 . 1 . 1 11 11 SER CB C 13 63.98646127 0 . . . . . . . 238 SER CB . 51750 1 24 . 1 . 1 11 11 SER N N 15 117.6810051 0.04816856854 . . . . . . . 238 SER N . 51750 1 25 . 1 . 1 12 12 GLY H H 1 8.478176011 0.006542626078 . . . . . . . 239 GLY H . 51750 1 26 . 1 . 1 12 12 GLY C C 13 174.3241342 0 . . . . . . . 239 GLY C . 51750 1 27 . 1 . 1 12 12 GLY CA C 13 44.52944924 1.354258753 . . . . . . . 239 GLY CA . 51750 1 28 . 1 . 1 12 12 GLY N N 15 111.8644959 0.04899626059 . . . . . . . 239 GLY N . 51750 1 29 . 1 . 1 13 13 GLU H H 1 8.222148801 0.003970012419 . . . . . . . 240 GLU H . 51750 1 30 . 1 . 1 13 13 GLU C C 13 177.0853095 0 . . . . . . . 240 GLU C . 51750 1 31 . 1 . 1 13 13 GLU CA C 13 56.76032182 0.07206428266 . . . . . . . 240 GLU CA . 51750 1 32 . 1 . 1 13 13 GLU N N 15 120.921919 0.04145051357 . . . . . . . 240 GLU N . 51750 1 33 . 1 . 1 14 14 GLY H H 1 8.433641751 0.006224378213 . . . . . . . 241 GLY H . 51750 1 34 . 1 . 1 14 14 GLY C C 13 173.9342515 0 . . . . . . . 241 GLY C . 51750 1 35 . 1 . 1 14 14 GLY CA C 13 45.41002439 0.07297157322 . . . . . . . 241 GLY CA . 51750 1 36 . 1 . 1 14 14 GLY N N 15 110.1328032 0.0495163086 . . . . . . . 241 GLY N . 51750 1 37 . 1 . 1 15 15 ASP H H 1 8.161506853 0.003102987901 . . . . . . . 242 ASP H . 51750 1 38 . 1 . 1 15 15 ASP C C 13 177.006076 0.07923354378 . . . . . . . 242 ASP C . 51750 1 39 . 1 . 1 15 15 ASP CA C 13 54.3490452 0.09114536744 . . . . . . . 242 ASP CA . 51750 1 40 . 1 . 1 15 15 ASP CB C 13 41.57418342 0 . . . . . . . 242 ASP CB . 51750 1 41 . 1 . 1 15 15 ASP N N 15 121.0644262 0.08524442024 . . . . . . . 242 ASP N . 51750 1 42 . 1 . 1 16 16 THR H H 1 8.172715715 0.005449903787 . . . . . . . 243 THR H . 51750 1 43 . 1 . 1 16 16 THR C C 13 175.5242308 0 . . . . . . . 243 THR C . 51750 1 44 . 1 . 1 16 16 THR CA C 13 62.35170135 0.07091814776 . . . . . . . 243 THR CA . 51750 1 45 . 1 . 1 16 16 THR CB C 13 69.96413497 0 . . . . . . . 243 THR CB . 51750 1 46 . 1 . 1 16 16 THR N N 15 114.6407434 0.05247858628 . . . . . . . 243 THR N . 51750 1 47 . 1 . 1 17 17 GLY H H 1 8.528405997 0.006125004374 . . . . . . . 244 GLY H . 51750 1 48 . 1 . 1 17 17 GLY C C 13 174.1910214 0 . . . . . . . 244 GLY C . 51750 1 49 . 1 . 1 17 17 GLY CA C 13 45.57293699 0.07465283801 . . . . . . . 244 GLY CA . 51750 1 50 . 1 . 1 17 17 GLY N N 15 111.3611803 0.04204692574 . . . . . . . 244 GLY N . 51750 1 51 . 1 . 1 18 18 CYS H H 1 8.211660567 0.01033974833 . . . . . . . 245 CYS H . 51750 1 52 . 1 . 1 18 18 CYS C C 13 173.6093268 0 . . . . . . . 245 CYS C . 51750 1 53 . 1 . 1 18 18 CYS CA C 13 57.42034481 0.1168456077 . . . . . . . 245 CYS CA . 51750 1 54 . 1 . 1 18 18 CYS CB C 13 41.88764083 0 . . . . . . . 245 CYS CB . 51750 1 55 . 1 . 1 18 18 CYS N N 15 118.969611 0.0879476377 . . . . . . . 245 CYS N . 51750 1 56 . 1 . 1 19 19 GLY H H 1 7.308237766 0.004256399696 . . . . . . . 246 GLY H . 51750 1 57 . 1 . 1 19 19 GLY C C 13 171.6486578 0 . . . . . . . 246 GLY C . 51750 1 58 . 1 . 1 19 19 GLY CA C 13 44.47549457 0.0700637661 . . . . . . . 246 GLY CA . 51750 1 59 . 1 . 1 19 19 GLY N N 15 106.4984443 0.07625203181 . . . . . . . 246 GLY N . 51750 1 60 . 1 . 1 20 20 GLU H H 1 8.353650589 0.004273468759 . . . . . . . 247 GLU H . 51750 1 61 . 1 . 1 20 20 GLU C C 13 175.8729478 0 . . . . . . . 247 GLU C . 51750 1 62 . 1 . 1 20 20 GLU CA C 13 55.466569 0.087592881 . . . . . . . 247 GLU CA . 51750 1 63 . 1 . 1 20 20 GLU N N 15 120.8660458 0.05348490983 . . . . . . . 247 GLU N . 51750 1 64 . 1 . 1 21 21 LEU H H 1 7.870773208 0.004750909808 . . . . . . . 248 LEU H . 51750 1 65 . 1 . 1 21 21 LEU C C 13 175.8436046 0 . . . . . . . 248 LEU C . 51750 1 66 . 1 . 1 21 21 LEU CA C 13 56.03979193 0.06224339452 . . . . . . . 248 LEU CA . 51750 1 67 . 1 . 1 21 21 LEU N N 15 126.7942718 0.07663549736 . . . . . . . 248 LEU N . 51750 1 68 . 1 . 1 31 31 ARG H H 1 8.831053928 0.004449855685 . . . . . . . 258 ARG H . 51750 1 69 . 1 . 1 31 31 ARG C C 13 174.6827681 0 . . . . . . . 258 ARG C . 51750 1 70 . 1 . 1 31 31 ARG CA C 13 57.28251679 0.07889849477 . . . . . . . 258 ARG CA . 51750 1 71 . 1 . 1 31 31 ARG CB C 13 37.78183303 0 . . . . . . . 258 ARG CB . 51750 1 72 . 1 . 1 31 31 ARG N N 15 130.145515 0.07158493099 . . . . . . . 258 ARG N . 51750 1 73 . 1 . 1 32 32 THR H H 1 8.720817068 0.006355166365 . . . . . . . 259 THR H . 51750 1 74 . 1 . 1 32 32 THR C C 13 175.8993667 0 . . . . . . . 259 THR C . 51750 1 75 . 1 . 1 32 32 THR CA C 13 60.33970934 0.02249891911 . . . . . . . 259 THR CA . 51750 1 76 . 1 . 1 32 32 THR CB C 13 73.51295756 0 . . . . . . . 259 THR CB . 51750 1 77 . 1 . 1 32 32 THR N N 15 108.2032177 0.08884256403 . . . . . . . 259 THR N . 51750 1 78 . 1 . 1 33 33 ALA H H 1 9.152461037 0.006884763602 . . . . . . . 260 ALA H . 51750 1 79 . 1 . 1 33 33 ALA C C 13 175.2924886 0 . . . . . . . 260 ALA C . 51750 1 80 . 1 . 1 33 33 ALA CA C 13 58.10550912 0.07928601107 . . . . . . . 260 ALA CA . 51750 1 81 . 1 . 1 33 33 ALA CB C 13 27.77418024 0 . . . . . . . 260 ALA CB . 51750 1 82 . 1 . 1 33 33 ALA N N 15 118.3399533 0.08162226556 . . . . . . . 260 ALA N . 51750 1 83 . 1 . 1 34 34 GLU H H 1 8.115021085 0.003468440736 . . . . . . . 261 GLU H . 51750 1 84 . 1 . 1 34 34 GLU C C 13 175.1883676 0 . . . . . . . 261 GLU C . 51750 1 85 . 1 . 1 34 34 GLU CA C 13 58.0953969 0.1161851978 . . . . . . . 261 GLU CA . 51750 1 86 . 1 . 1 34 34 GLU CB C 13 31.41101639 0 . . . . . . . 261 GLU CB . 51750 1 87 . 1 . 1 34 34 GLU N N 15 117.7194608 0.06766564059 . . . . . . . 261 GLU N . 51750 1 88 . 1 . 1 35 35 THR H H 1 7.19449641 0.003243203211 . . . . . . . 262 THR H . 51750 1 89 . 1 . 1 35 35 THR C C 13 174.087364 0 . . . . . . . 262 THR C . 51750 1 90 . 1 . 1 35 35 THR CA C 13 64.63583407 0.05749420331 . . . . . . . 262 THR CA . 51750 1 91 . 1 . 1 35 35 THR CB C 13 69.08375195 0 . . . . . . . 262 THR CB . 51750 1 92 . 1 . 1 35 35 THR N N 15 117.6969491 0.08178750685 . . . . . . . 262 THR N . 51750 1 93 . 1 . 1 41 41 GLY H H 1 9.173174471 0.007096127218 . . . . . . . 268 GLY H . 51750 1 94 . 1 . 1 41 41 GLY CA C 13 45.8044317 0.1375902916 . . . . . . . 268 GLY CA . 51750 1 95 . 1 . 1 41 41 GLY N N 15 105.5111711 0.08224607557 . . . . . . . 268 GLY N . 51750 1 96 . 1 . 1 42 42 VAL H H 1 8.791766079 0.006695026543 . . . . . . . 269 VAL H . 51750 1 97 . 1 . 1 42 42 VAL CA C 13 58.25517102 0 . . . . . . . 269 VAL CA . 51750 1 98 . 1 . 1 42 42 VAL N N 15 125.368655 0.07911519102 . . . . . . . 269 VAL N . 51750 1 99 . 1 . 1 43 43 TRP H H 1 7.399692117 0.003538038129 . . . . . . . 270 TRP H . 51750 1 100 . 1 . 1 43 43 TRP C C 13 175.7006343 0 . . . . . . . 270 TRP C . 51750 1 101 . 1 . 1 43 43 TRP CA C 13 56.01486192 0.07241359139 . . . . . . . 270 TRP CA . 51750 1 102 . 1 . 1 43 43 TRP CB C 13 30.91060675 0.06844767012 . . . . . . . 270 TRP CB . 51750 1 103 . 1 . 1 43 43 TRP N N 15 115.0722338 0.05601506985 . . . . . . . 270 TRP N . 51750 1 104 . 1 . 1 50 50 THR H H 1 8.695042906 0.008593419603 . . . . . . . 277 THR H . 51750 1 105 . 1 . 1 50 50 THR C C 13 172.4137811 0 . . . . . . . 277 THR C . 51750 1 106 . 1 . 1 50 50 THR CA C 13 59.7207777 0.06128215477 . . . . . . . 277 THR CA . 51750 1 107 . 1 . 1 50 50 THR CB C 13 71.71448432 0 . . . . . . . 277 THR CB . 51750 1 108 . 1 . 1 50 50 THR N N 15 117.9402873 0.0544537687 . . . . . . . 277 THR N . 51750 1 109 . 1 . 1 51 51 TYR H H 1 8.425097559 0.006066331049 . . . . . . . 278 TYR H . 51750 1 110 . 1 . 1 51 51 TYR C C 13 174.8939062 0 . . . . . . . 278 TYR C . 51750 1 111 . 1 . 1 51 51 TYR CA C 13 57.65874434 0.07866876237 . . . . . . . 278 TYR CA . 51750 1 112 . 1 . 1 51 51 TYR CB C 13 38.71548017 0 . . . . . . . 278 TYR CB . 51750 1 113 . 1 . 1 51 51 TYR N N 15 126.3969918 0.07321384514 . . . . . . . 278 TYR N . 51750 1 114 . 1 . 1 60 60 ARG H H 1 9.69762163 0.004780765145 . . . . . . . 287 ARG H . 51750 1 115 . 1 . 1 60 60 ARG CA C 13 57.32052365 0.08928134509 . . . . . . . 287 ARG CA . 51750 1 116 . 1 . 1 60 60 ARG N N 15 125.0794753 0.06491691208 . . . . . . . 287 ARG N . 51750 1 117 . 1 . 1 61 61 ILE H H 1 8.591874995 0.003712931629 . . . . . . . 288 ILE H . 51750 1 118 . 1 . 1 61 61 ILE CA C 13 61.55136429 0 . . . . . . . 288 ILE CA . 51750 1 119 . 1 . 1 61 61 ILE N N 15 134.2759398 0.07976774536 . . . . . . . 288 ILE N . 51750 1 120 . 1 . 1 62 62 ASP H H 1 9.334520671 0.003838836859 . . . . . . . 289 ASP H . 51750 1 121 . 1 . 1 62 62 ASP CA C 13 58.5654068 0.04853411551 . . . . . . . 289 ASP CA . 51750 1 122 . 1 . 1 62 62 ASP N N 15 126.695383 0.1070697656 . . . . . . . 289 ASP N . 51750 1 123 . 1 . 1 65 65 GLY H H 1 8.422225988 0.00338979597 . . . . . . . 292 GLY H . 51750 1 124 . 1 . 1 65 65 GLY C C 13 173.3659804 0 . . . . . . . 292 GLY C . 51750 1 125 . 1 . 1 65 65 GLY CA C 13 44.27507017 0.1020501278 . . . . . . . 292 GLY CA . 51750 1 126 . 1 . 1 65 65 GLY N N 15 114.8539548 0.05328703097 . . . . . . . 292 GLY N . 51750 1 127 . 1 . 1 66 66 THR H H 1 8.123604222 0.007084325854 . . . . . . . 293 THR H . 51750 1 128 . 1 . 1 66 66 THR C C 13 174.3880412 0 . . . . . . . 293 THR C . 51750 1 129 . 1 . 1 66 66 THR CA C 13 61.42701952 0.06430422483 . . . . . . . 293 THR CA . 51750 1 130 . 1 . 1 66 66 THR CB C 13 70.24759717 0 . . . . . . . 293 THR CB . 51750 1 131 . 1 . 1 66 66 THR N N 15 110.2777176 0.03482675991 . . . . . . . 293 THR N . 51750 1 132 . 1 . 1 67 67 ASP H H 1 8.504207917 0.003372071404 . . . . . . . 294 ASP H . 51750 1 133 . 1 . 1 67 67 ASP CA C 13 54.24059202 0.08565628388 . . . . . . . 294 ASP CA . 51750 1 134 . 1 . 1 67 67 ASP CB C 13 40.95386232 0 . . . . . . . 294 ASP CB . 51750 1 135 . 1 . 1 67 67 ASP N N 15 124.5632979 0.06934007202 . . . . . . . 294 ASP N . 51750 1 136 . 1 . 1 68 68 VAL H H 1 8.736542902 0.004558968554 . . . . . . . 295 VAL H . 51750 1 137 . 1 . 1 68 68 VAL C C 13 175.8750667 0 . . . . . . . 295 VAL C . 51750 1 138 . 1 . 1 68 68 VAL CA C 13 64.38440414 0.07308202412 . . . . . . . 295 VAL CA . 51750 1 139 . 1 . 1 68 68 VAL CB C 13 30.9627114 0 . . . . . . . 295 VAL CB . 51750 1 140 . 1 . 1 68 68 VAL N N 15 123.9838768 0.04984342444 . . . . . . . 295 VAL N . 51750 1 141 . 1 . 1 72 72 PHE H H 1 9.621835567 0.004225123718 . . . . . . . 299 PHE H . 51750 1 142 . 1 . 1 72 72 PHE CA C 13 65.56490469 0 . . . . . . . 299 PHE CA . 51750 1 143 . 1 . 1 72 72 PHE N N 15 126.7870561 0.0657077287 . . . . . . . 299 PHE N . 51750 1 144 . 1 . 1 73 73 GLU H H 1 8.721941996 0.007116145321 . . . . . . . 300 GLU H . 51750 1 145 . 1 . 1 73 73 GLU CA C 13 61.13089447 0.004591261436 . . . . . . . 300 GLU CA . 51750 1 146 . 1 . 1 73 73 GLU N N 15 115.1765655 0.09038886361 . . . . . . . 300 GLU N . 51750 1 147 . 1 . 1 74 74 TYR H H 1 9.383573866 0.004969022656 . . . . . . . 301 TYR H . 51750 1 148 . 1 . 1 74 74 TYR C C 13 175.4461822 0 . . . . . . . 301 TYR C . 51750 1 149 . 1 . 1 74 74 TYR CA C 13 58.12741108 0.06403585945 . . . . . . . 301 TYR CA . 51750 1 150 . 1 . 1 74 74 TYR CB C 13 41.53439245 0 . . . . . . . 301 TYR CB . 51750 1 151 . 1 . 1 74 74 TYR N N 15 125.8713353 0.08244797345 . . . . . . . 301 TYR N . 51750 1 152 . 1 . 1 75 75 ASP H H 1 7.554646761 0.005172553116 . . . . . . . 302 ASP H . 51750 1 153 . 1 . 1 75 75 ASP CA C 13 52.14351508 0.04380514502 . . . . . . . 302 ASP CA . 51750 1 154 . 1 . 1 75 75 ASP CB C 13 46.01513298 0 . . . . . . . 302 ASP CB . 51750 1 155 . 1 . 1 75 75 ASP N N 15 114.3335395 0.06859868294 . . . . . . . 302 ASP N . 51750 1 156 . 1 . 1 86 86 SER H H 1 9.103361882 0.004178733817 . . . . . . . 313 SER H . 51750 1 157 . 1 . 1 86 86 SER CA C 13 59.55718024 0.03881328358 . . . . . . . 313 SER CA . 51750 1 158 . 1 . 1 86 86 SER CB C 13 63.8399453 0 . . . . . . . 313 SER CB . 51750 1 159 . 1 . 1 86 86 SER N N 15 120.181056 0.06377298584 . . . . . . . 313 SER N . 51750 1 160 . 1 . 1 87 87 LYS H H 1 7.751807882 0.004149415953 . . . . . . . 314 LYS H . 51750 1 161 . 1 . 1 87 87 LYS C C 13 172.7873212 0 . . . . . . . 314 LYS C . 51750 1 162 . 1 . 1 87 87 LYS CA C 13 55.83887217 0.09162364016 . . . . . . . 314 LYS CA . 51750 1 163 . 1 . 1 87 87 LYS CB C 13 36.38121928 0 . . . . . . . 314 LYS CB . 51750 1 164 . 1 . 1 87 87 LYS N N 15 121.5581448 0.06188284493 . . . . . . . 314 LYS N . 51750 1 165 . 1 . 1 88 88 VAL H H 1 8.123641137 0.006444421945 . . . . . . . 315 VAL H . 51750 1 166 . 1 . 1 88 88 VAL C C 13 176.6555483 0 . . . . . . . 315 VAL C . 51750 1 167 . 1 . 1 88 88 VAL CA C 13 60.75010863 0.06053037158 . . . . . . . 315 VAL CA . 51750 1 168 . 1 . 1 88 88 VAL CB C 13 34.22937791 0 . . . . . . . 315 VAL CB . 51750 1 169 . 1 . 1 88 88 VAL N N 15 122.7949545 0.1329339238 . . . . . . . 315 VAL N . 51750 1 170 . 1 . 1 89 89 HIS H H 1 7.525820782 0.003201682653 . . . . . . . 316 HIS H . 51750 1 171 . 1 . 1 89 89 HIS C C 13 172.2898289 0 . . . . . . . 316 HIS C . 51750 1 172 . 1 . 1 89 89 HIS CA C 13 59.3634609 0.05578827925 . . . . . . . 316 HIS CA . 51750 1 173 . 1 . 1 89 89 HIS CB C 13 32.4799132 0 . . . . . . . 316 HIS CB . 51750 1 174 . 1 . 1 89 89 HIS N N 15 122.296868 0.05781209751 . . . . . . . 316 HIS N . 51750 1 175 . 1 . 1 90 90 ILE H H 1 7.339959134 0.004713118543 . . . . . . . 317 ILE H . 51750 1 176 . 1 . 1 90 90 ILE C C 13 174.8914554 0 . . . . . . . 317 ILE C . 51750 1 177 . 1 . 1 90 90 ILE CA C 13 61.08679826 0.08223478696 . . . . . . . 317 ILE CA . 51750 1 178 . 1 . 1 90 90 ILE CB C 13 34.2956917 0 . . . . . . . 317 ILE CB . 51750 1 179 . 1 . 1 90 90 ILE N N 15 126.3509448 0.08838598707 . . . . . . . 317 ILE N . 51750 1 180 . 1 . 1 93 93 ARG H H 1 8.814075821 0.003968979168 . . . . . . . 320 ARG H . 51750 1 181 . 1 . 1 93 93 ARG C C 13 171.0956862 0 . . . . . . . 320 ARG C . 51750 1 182 . 1 . 1 93 93 ARG CA C 13 53.48964111 0.09745275385 . . . . . . . 320 ARG CA . 51750 1 183 . 1 . 1 93 93 ARG CB C 13 34.01568202 0 . . . . . . . 320 ARG CB . 51750 1 184 . 1 . 1 93 93 ARG N N 15 124.4081897 0.06760028666 . . . . . . . 320 ARG N . 51750 1 185 . 1 . 1 95 95 LEU H H 1 7.586183851 0.004203705252 . . . . . . . 322 LEU H . 51750 1 186 . 1 . 1 95 95 LEU CA C 13 53.27024997 0 . . . . . . . 322 LEU CA . 51750 1 187 . 1 . 1 95 95 LEU CB C 13 47.75666207 0 . . . . . . . 322 LEU CB . 51750 1 188 . 1 . 1 95 95 LEU N N 15 124.3177276 0.03023646756 . . . . . . . 322 LEU N . 51750 1 189 . 1 . 1 96 96 GLU H H 1 8.245547829 0.00414266384 . . . . . . . 323 GLU H . 51750 1 190 . 1 . 1 96 96 GLU CA C 13 55.88452748 0 . . . . . . . 323 GLU CA . 51750 1 191 . 1 . 1 96 96 GLU N N 15 124.7118715 0.02032848531 . . . . . . . 323 GLU N . 51750 1 192 . 1 . 1 97 97 SER H H 1 8.34365747 0.004210279508 . . . . . . . 324 SER H . 51750 1 193 . 1 . 1 97 97 SER C C 13 173.6450221 0 . . . . . . . 324 SER C . 51750 1 194 . 1 . 1 97 97 SER CA C 13 58.60091294 0.04807705639 . . . . . . . 324 SER CA . 51750 1 195 . 1 . 1 97 97 SER CB C 13 64.03039334 0 . . . . . . . 324 SER CB . 51750 1 196 . 1 . 1 97 97 SER N N 15 117.5380446 0.005558077898 . . . . . . . 324 SER N . 51750 1 197 . 1 . 1 104 104 SER H H 1 8.540006334 0.004580095711 . . . . . . . 331 SER H . 51750 1 198 . 1 . 1 104 104 SER CA C 13 58.77611893 0.07103452649 . . . . . . . 331 SER CA . 51750 1 199 . 1 . 1 104 104 SER CB C 13 63.85151714 0 . . . . . . . 331 SER CB . 51750 1 200 . 1 . 1 104 104 SER N N 15 118.6497495 0.04675141788 . . . . . . . 331 SER N . 51750 1 201 . 1 . 1 105 105 GLY H H 1 8.556823829 0.003042676962 . . . . . . . 332 GLY H . 51750 1 202 . 1 . 1 105 105 GLY CA C 13 45.53035037 0.09978900592 . . . . . . . 332 GLY CA . 51750 1 203 . 1 . 1 105 105 GLY N N 15 112.326491 0.03347631824 . . . . . . . 332 GLY N . 51750 1 204 . 1 . 1 106 106 SER H H 1 7.685117783 0.003010555109 . . . . . . . 333 SER H . 51750 1 205 . 1 . 1 106 106 SER C C 13 170.9687214 0 . . . . . . . 333 SER C . 51750 1 206 . 1 . 1 106 106 SER CA C 13 57.68827611 0.06475031033 . . . . . . . 333 SER CA . 51750 1 207 . 1 . 1 106 106 SER CB C 13 66.76457508 0 . . . . . . . 333 SER CB . 51750 1 208 . 1 . 1 106 106 SER N N 15 115.1030682 0.06615855653 . . . . . . . 333 SER N . 51750 1 209 . 1 . 1 107 107 LEU H H 1 9.366123638 0.004147577696 . . . . . . . 334 LEU H . 51750 1 210 . 1 . 1 107 107 LEU CA C 13 53.63048239 0 . . . . . . . 334 LEU CA . 51750 1 211 . 1 . 1 107 107 LEU N N 15 125.5495311 0.06436359037 . . . . . . . 334 LEU N . 51750 1 212 . 1 . 1 108 108 TYR H H 1 7.362829454 0.003639172897 . . . . . . . 335 TYR H . 51750 1 213 . 1 . 1 108 108 TYR CA C 13 57.32266424 0.05641022324 . . . . . . . 335 TYR CA . 51750 1 214 . 1 . 1 108 108 TYR CB C 13 43.39312779 0 . . . . . . . 335 TYR CB . 51750 1 215 . 1 . 1 108 108 TYR N N 15 121.9042942 0.03579967595 . . . . . . . 335 TYR N . 51750 1 216 . 1 . 1 109 109 PHE H H 1 8.608845389 0.008557899173 . . . . . . . 336 PHE H . 51750 1 217 . 1 . 1 109 109 PHE C C 13 173.1349335 0 . . . . . . . 336 PHE C . 51750 1 218 . 1 . 1 109 109 PHE CA C 13 55.22445439 0.09366567964 . . . . . . . 336 PHE CA . 51750 1 219 . 1 . 1 109 109 PHE N N 15 126.044772 0.0782614568 . . . . . . . 336 PHE N . 51750 1 220 . 1 . 1 111 111 GLY H H 1 8.310603517 0.002194673415 . . . . . . . 338 GLY H . 51750 1 221 . 1 . 1 111 111 GLY CA C 13 45.57915934 0.05473457544 . . . . . . . 338 GLY CA . 51750 1 222 . 1 . 1 111 111 GLY N N 15 114.7526016 0.05015506726 . . . . . . . 338 GLY N . 51750 1 223 . 1 . 1 112 112 ALA H H 1 8.236553036 0.009308927182 . . . . . . . 339 ALA H . 51750 1 224 . 1 . 1 112 112 ALA CA C 13 54.93100882 0.09814564173 . . . . . . . 339 ALA CA . 51750 1 225 . 1 . 1 112 112 ALA N N 15 122.5569872 0.02845231721 . . . . . . . 339 ALA N . 51750 1 226 . 1 . 1 113 113 GLU H H 1 7.856468259 0.009403816727 . . . . . . . 340 GLU H . 51750 1 227 . 1 . 1 113 113 GLU C C 13 174.6130741 0 . . . . . . . 340 GLU C . 51750 1 228 . 1 . 1 113 113 GLU CA C 13 57.00597527 0.07375233142 . . . . . . . 340 GLU CA . 51750 1 229 . 1 . 1 113 113 GLU CB C 13 30.1720988 0 . . . . . . . 340 GLU CB . 51750 1 230 . 1 . 1 113 113 GLU N N 15 118.4664419 0.09734842952 . . . . . . . 340 GLU N . 51750 1 231 . 1 . 1 115 115 ARG H H 1 9.881050096 0.005984338099 . . . . . . . 342 ARG H . 51750 1 232 . 1 . 1 115 115 ARG CA C 13 53.00646312 0.02802797087 . . . . . . . 342 ARG CA . 51750 1 233 . 1 . 1 115 115 ARG N N 15 135.7208499 0.0848433922 . . . . . . . 342 ARG N . 51750 1 234 . 1 . 1 116 116 THR H H 1 8.184720215 0.004208470819 . . . . . . . 343 THR H . 51750 1 235 . 1 . 1 116 116 THR C C 13 173.3181228 0 . . . . . . . 343 THR C . 51750 1 236 . 1 . 1 116 116 THR CA C 13 62.9320315 0.02318796363 . . . . . . . 343 THR CA . 51750 1 237 . 1 . 1 116 116 THR CB C 13 70.16145775 0 . . . . . . . 343 THR CB . 51750 1 238 . 1 . 1 116 116 THR N N 15 118.4429944 0.06008888727 . . . . . . . 343 THR N . 51750 1 239 . 1 . 1 117 117 VAL H H 1 8.687911931 0.004505665042 . . . . . . . 344 VAL H . 51750 1 240 . 1 . 1 117 117 VAL C C 13 172.6937455 0 . . . . . . . 344 VAL C . 51750 1 241 . 1 . 1 117 117 VAL CA C 13 60.85651487 0.04568557738 . . . . . . . 344 VAL CA . 51750 1 242 . 1 . 1 117 117 VAL CB C 13 33.05455429 0 . . . . . . . 344 VAL CB . 51750 1 243 . 1 . 1 117 117 VAL N N 15 127.2777374 0.05061332332 . . . . . . . 344 VAL N . 51750 1 244 . 1 . 1 118 118 ILE H H 1 8.781474479 0.00485159498 . . . . . . . 345 ILE H . 51750 1 245 . 1 . 1 118 118 ILE C C 13 172.7060031 0 . . . . . . . 345 ILE C . 51750 1 246 . 1 . 1 118 118 ILE CA C 13 60.3493221 0.1843977143 . . . . . . . 345 ILE CA . 51750 1 247 . 1 . 1 118 118 ILE CB C 13 40.24800944 0 . . . . . . . 345 ILE CB . 51750 1 248 . 1 . 1 118 118 ILE N N 15 127.1996945 0.07557710613 . . . . . . . 345 ILE N . 51750 1 249 . 1 . 1 123 123 ASN H H 1 9.460163475 0.005861952693 . . . . . . . 350 ASN H . 51750 1 250 . 1 . 1 123 123 ASN C C 13 177.1207146 0 . . . . . . . 350 ASN C . 51750 1 251 . 1 . 1 123 123 ASN CA C 13 56.79950836 0.05310609581 . . . . . . . 350 ASN CA . 51750 1 252 . 1 . 1 123 123 ASN CB C 13 39.28519637 0 . . . . . . . 350 ASN CB . 51750 1 253 . 1 . 1 123 123 ASN N N 15 114.7271393 0.06654024386 . . . . . . . 350 ASN N . 51750 1 254 . 1 . 1 124 124 THR H H 1 6.877059515 0.003948200072 . . . . . . . 351 THR H . 51750 1 255 . 1 . 1 124 124 THR C C 13 174.634213 0 . . . . . . . 351 THR C . 51750 1 256 . 1 . 1 124 124 THR CA C 13 60.57685051 0.04821326497 . . . . . . . 351 THR CA . 51750 1 257 . 1 . 1 124 124 THR CB C 13 70.14604882 0 . . . . . . . 351 THR CB . 51750 1 258 . 1 . 1 124 124 THR N N 15 104.1344946 0.06748061737 . . . . . . . 351 THR N . 51750 1 259 . 1 . 1 125 125 GLU H H 1 7.585099455 0.004627099376 . . . . . . . 352 GLU H . 51750 1 260 . 1 . 1 125 125 GLU C C 13 175.3231949 0 . . . . . . . 352 GLU C . 51750 1 261 . 1 . 1 125 125 GLU CA C 13 57.3095994 0.09298667904 . . . . . . . 352 GLU CA . 51750 1 262 . 1 . 1 125 125 GLU N N 15 121.8391177 0.05713344378 . . . . . . . 352 GLU N . 51750 1 263 . 1 . 1 126 126 THR H H 1 6.939215596 0.003543110235 . . . . . . . 353 THR H . 51750 1 264 . 1 . 1 126 126 THR C C 13 173.6520463 0 . . . . . . . 353 THR C . 51750 1 265 . 1 . 1 126 126 THR CA C 13 60.60739205 0.05559864495 . . . . . . . 353 THR CA . 51750 1 266 . 1 . 1 126 126 THR CB C 13 72.30183358 0 . . . . . . . 353 THR CB . 51750 1 267 . 1 . 1 126 126 THR N N 15 110.1288103 0.08431002575 . . . . . . . 353 THR N . 51750 1 268 . 1 . 1 127 127 VAL H H 1 9.044975878 0.006123492367 . . . . . . . 354 VAL H . 51750 1 269 . 1 . 1 127 127 VAL C C 13 176.0157195 0 . . . . . . . 354 VAL C . 51750 1 270 . 1 . 1 127 127 VAL CA C 13 63.9952526 0.1010768162 . . . . . . . 354 VAL CA . 51750 1 271 . 1 . 1 127 127 VAL CB C 13 31.37209157 0 . . . . . . . 354 VAL CB . 51750 1 272 . 1 . 1 127 127 VAL N N 15 126.9089259 0.03960821572 . . . . . . . 354 VAL N . 51750 1 273 . 1 . 1 128 128 LYS H H 1 8.661529504 0.003572701958 . . . . . . . 355 LYS H . 51750 1 274 . 1 . 1 128 128 LYS C C 13 176.0114265 0 . . . . . . . 355 LYS C . 51750 1 275 . 1 . 1 128 128 LYS CA C 13 55.11648384 0 . . . . . . . 355 LYS CA . 51750 1 276 . 1 . 1 128 128 LYS N N 15 128.6326346 0.09422317163 . . . . . . . 355 LYS N . 51750 1 277 . 1 . 1 129 129 ALA H H 1 7.471564376 0.002963226853 . . . . . . . 356 ALA H . 51750 1 278 . 1 . 1 129 129 ALA C C 13 174.5422658 0 . . . . . . . 356 ALA C . 51750 1 279 . 1 . 1 129 129 ALA CA C 13 52.46001447 0.07618970002 . . . . . . . 356 ALA CA . 51750 1 280 . 1 . 1 129 129 ALA CB C 13 21.8137318 0 . . . . . . . 356 ALA CB . 51750 1 281 . 1 . 1 129 129 ALA N N 15 118.7476426 0.06516863901 . . . . . . . 356 ALA N . 51750 1 282 . 1 . 1 130 130 GLU H H 1 8.16222028 0.005513174683 . . . . . . . 357 GLU H . 51750 1 283 . 1 . 1 130 130 GLU C C 13 174.6402615 0 . . . . . . . 357 GLU C . 51750 1 284 . 1 . 1 130 130 GLU CA C 13 55.41022489 0.06791184544 . . . . . . . 357 GLU CA . 51750 1 285 . 1 . 1 130 130 GLU CB C 13 33.0677585 0 . . . . . . . 357 GLU CB . 51750 1 286 . 1 . 1 130 130 GLU N N 15 119.0857567 0.06124415266 . . . . . . . 357 GLU N . 51750 1 287 . 1 . 1 131 131 LYS H H 1 8.931502844 0.004137750929 . . . . . . . 358 LYS H . 51750 1 288 . 1 . 1 131 131 LYS C C 13 174.6743739 0 . . . . . . . 358 LYS C . 51750 1 289 . 1 . 1 131 131 LYS CA C 13 55.15120552 0.1390019055 . . . . . . . 358 LYS CA . 51750 1 290 . 1 . 1 131 131 LYS CB C 13 38.12042288 0 . . . . . . . 358 LYS CB . 51750 1 291 . 1 . 1 131 131 LYS N N 15 124.9788604 0.06903845095 . . . . . . . 358 LYS N . 51750 1 292 . 1 . 1 132 132 GLU H H 1 8.479865382 0.005118608419 . . . . . . . 359 GLU H . 51750 1 293 . 1 . 1 132 132 GLU C C 13 176.5734861 0 . . . . . . . 359 GLU C . 51750 1 294 . 1 . 1 132 132 GLU CA C 13 55.80178293 0.04009568548 . . . . . . . 359 GLU CA . 51750 1 295 . 1 . 1 132 132 GLU CB C 13 30.43178446 0 . . . . . . . 359 GLU CB . 51750 1 296 . 1 . 1 132 132 GLU N N 15 125.1251789 0.1165316721 . . . . . . . 359 GLU N . 51750 1 297 . 1 . 1 133 133 ILE H H 1 7.818907962 0.00250195868 . . . . . . . 360 ILE H . 51750 1 298 . 1 . 1 133 133 ILE CA C 13 55.96639851 0 . . . . . . . 360 ILE CA . 51750 1 299 . 1 . 1 133 133 ILE N N 15 126.1153054 0.01111344387 . . . . . . . 360 ILE N . 51750 1 300 . 1 . 1 135 135 GLY H H 1 8.570404618 0.007285656397 . . . . . . . 362 GLY H . 51750 1 301 . 1 . 1 135 135 GLY C C 13 174.4103266 0 . . . . . . . 362 GLY C . 51750 1 302 . 1 . 1 135 135 GLY CA C 13 45.58691358 0.03913707554 . . . . . . . 362 GLY CA . 51750 1 303 . 1 . 1 135 135 GLY N N 15 110.9039556 0.05332241114 . . . . . . . 362 GLY N . 51750 1 304 . 1 . 1 136 136 ALA H H 1 7.648801347 0.004717524849 . . . . . . . 363 ALA H . 51750 1 305 . 1 . 1 136 136 ALA C C 13 180.1361596 0 . . . . . . . 363 ALA C . 51750 1 306 . 1 . 1 136 136 ALA CA C 13 52.61550681 0.06769362005 . . . . . . . 363 ALA CA . 51750 1 307 . 1 . 1 136 136 ALA CB C 13 18.97937206 0 . . . . . . . 363 ALA CB . 51750 1 308 . 1 . 1 136 136 ALA N N 15 123.0907165 0.06991673183 . . . . . . . 363 ALA N . 51750 1 309 . 1 . 1 137 137 GLY H H 1 8.846496163 0.003650053105 . . . . . . . 364 GLY H . 51750 1 310 . 1 . 1 137 137 GLY CA C 13 45.27317448 0.03051130184 . . . . . . . 364 GLY CA . 51750 1 311 . 1 . 1 137 137 GLY N N 15 109.7804782 0.08506573569 . . . . . . . 364 GLY N . 51750 1 312 . 1 . 1 138 138 TYR H H 1 7.975423117 0.006955612958 . . . . . . . 365 TYR H . 51750 1 313 . 1 . 1 138 138 TYR CA C 13 56.36132406 0.1018289514 . . . . . . . 365 TYR CA . 51750 1 314 . 1 . 1 138 138 TYR CB C 13 40.62604584 0 . . . . . . . 365 TYR CB . 51750 1 315 . 1 . 1 138 138 TYR N N 15 115.419693 0.05690233221 . . . . . . . 365 TYR N . 51750 1 316 . 1 . 1 144 144 TYR H H 1 9.121836614 0.005803769384 . . . . . . . 371 TYR H . 51750 1 317 . 1 . 1 144 144 TYR CA C 13 53.51443038 0.1000460253 . . . . . . . 371 TYR CA . 51750 1 318 . 1 . 1 144 144 TYR CB C 13 43.6587634 0 . . . . . . . 371 TYR CB . 51750 1 319 . 1 . 1 144 144 TYR N N 15 128.6789875 0.05102603454 . . . . . . . 371 TYR N . 51750 1 320 . 1 . 1 145 145 SER H H 1 8.479920967 0.004486661961 . . . . . . . 372 SER H . 51750 1 321 . 1 . 1 145 145 SER C C 13 174.0931597 0 . . . . . . . 372 SER C . 51750 1 322 . 1 . 1 145 145 SER CA C 13 63.47673139 0.1064951557 . . . . . . . 372 SER CA . 51750 1 323 . 1 . 1 145 145 SER CB C 13 68.90651399 13.96030596 . . . . . . . 372 SER CB . 51750 1 324 . 1 . 1 145 145 SER N N 15 122.11775 0.1325506283 . . . . . . . 372 SER N . 51750 1 325 . 1 . 1 146 146 TRP H H 1 7.0125374 0.004673631706 . . . . . . . 373 TRP H . 51750 1 326 . 1 . 1 146 146 TRP C C 13 171.0191605 0 . . . . . . . 373 TRP C . 51750 1 327 . 1 . 1 146 146 TRP CA C 13 52.3574377 0.08000501562 . . . . . . . 373 TRP CA . 51750 1 328 . 1 . 1 146 146 TRP CB C 13 32.45530157 0 . . . . . . . 373 TRP CB . 51750 1 329 . 1 . 1 146 146 TRP N N 15 118.5005657 0.0611650327 . . . . . . . 373 TRP N . 51750 1 330 . 1 . 1 153 153 ASP H H 1 10.05500194 0.002850683127 . . . . . . . 380 ASP H . 51750 1 331 . 1 . 1 153 153 ASP CA C 13 50.89265092 0 . . . . . . . 380 ASP CA . 51750 1 332 . 1 . 1 153 153 ASP N N 15 124.7758483 0.02985903926 . . . . . . . 380 ASP N . 51750 1 333 . 1 . 1 154 154 LEU H H 1 9.0857957 0.005687844748 . . . . . . . 381 LEU H . 51750 1 334 . 1 . 1 154 154 LEU CA C 13 56.48127569 0 . . . . . . . 381 LEU CA . 51750 1 335 . 1 . 1 154 154 LEU N N 15 128.3106617 0.05424032322 . . . . . . . 381 LEU N . 51750 1 336 . 1 . 1 155 155 ALA H H 1 9.6374026 0.005380846917 . . . . . . . 382 ALA H . 51750 1 337 . 1 . 1 155 155 ALA CA C 13 53.28114161 0 . . . . . . . 382 ALA CA . 51750 1 338 . 1 . 1 155 155 ALA N N 15 128.7223215 0.07928132295 . . . . . . . 382 ALA N . 51750 1 339 . 1 . 1 158 158 GLU H H 1 8.398309174 0.003443738257 . . . . . . . 385 GLU H . 51750 1 340 . 1 . 1 158 158 GLU CA C 13 61.66581247 0 . . . . . . . 385 GLU CA . 51750 1 341 . 1 . 1 158 158 GLU N N 15 120.7111531 0.06614603873 . . . . . . . 385 GLU N . 51750 1 342 . 1 . 1 159 159 ALA H H 1 9.22226119 0.003830645687 . . . . . . . 386 ALA H . 51750 1 343 . 1 . 1 159 159 ALA C C 13 177.9740849 0 . . . . . . . 386 ALA C . 51750 1 344 . 1 . 1 159 159 ALA CA C 13 52.13601619 0.05133509228 . . . . . . . 386 ALA CA . 51750 1 345 . 1 . 1 159 159 ALA CB C 13 21.09720139 0 . . . . . . . 386 ALA CB . 51750 1 346 . 1 . 1 159 159 ALA N N 15 121.3500196 0.04650661798 . . . . . . . 386 ALA N . 51750 1 347 . 1 . 1 160 160 GLY H H 1 7.993273502 0.003113884011 . . . . . . . 387 GLY H . 51750 1 348 . 1 . 1 160 160 GLY C C 13 169.3846477 0 . . . . . . . 387 GLY C . 51750 1 349 . 1 . 1 160 160 GLY CA C 13 45.35192591 0.06425172532 . . . . . . . 387 GLY CA . 51750 1 350 . 1 . 1 160 160 GLY N N 15 109.8021984 0.0795549609 . . . . . . . 387 GLY N . 51750 1 351 . 1 . 1 161 161 LEU H H 1 8.112030599 0.006788287973 . . . . . . . 388 LEU H . 51750 1 352 . 1 . 1 161 161 LEU CA C 13 54.44388791 0.05951318533 . . . . . . . 388 LEU CA . 51750 1 353 . 1 . 1 161 161 LEU N N 15 125.3305303 0.06062303925 . . . . . . . 388 LEU N . 51750 1 354 . 1 . 1 163 163 VAL H H 1 7.019491696 0.00408484365 . . . . . . . 390 VAL H . 51750 1 355 . 1 . 1 163 163 VAL C C 13 177.8387352 0 . . . . . . . 390 VAL C . 51750 1 356 . 1 . 1 163 163 VAL CA C 13 60.41996525 0.03181887597 . . . . . . . 390 VAL CA . 51750 1 357 . 1 . 1 163 163 VAL CB C 13 34.70226047 0 . . . . . . . 390 VAL CB . 51750 1 358 . 1 . 1 163 163 VAL N N 15 117.1007941 0.1073689887 . . . . . . . 390 VAL N . 51750 1 359 . 1 . 1 164 164 ILE H H 1 9.474796464 0.004131608687 . . . . . . . 391 ILE H . 51750 1 360 . 1 . 1 164 164 ILE CA C 13 61.5301468 0 . . . . . . . 391 ILE CA . 51750 1 361 . 1 . 1 164 164 ILE N N 15 122.5671259 0.1066809739 . . . . . . . 391 ILE N . 51750 1 362 . 1 . 1 165 165 TYR H H 1 9.051605127 0.005320788345 . . . . . . . 392 TYR H . 51750 1 363 . 1 . 1 165 165 TYR C C 13 173.0531597 0 . . . . . . . 392 TYR C . 51750 1 364 . 1 . 1 165 165 TYR CA C 13 56.34183947 0.08350971919 . . . . . . . 392 TYR CA . 51750 1 365 . 1 . 1 165 165 TYR CB C 13 37.73450143 0 . . . . . . . 392 TYR CB . 51750 1 366 . 1 . 1 165 165 TYR N N 15 125.1400254 0.06509862136 . . . . . . . 392 TYR N . 51750 1 367 . 1 . 1 166 166 SER H H 1 9.328797687 0.002331582441 . . . . . . . 393 SER H . 51750 1 368 . 1 . 1 166 166 SER CA C 13 57.86986269 0.1152759199 . . . . . . . 393 SER CA . 51750 1 369 . 1 . 1 166 166 SER CB C 13 62.04277001 0 . . . . . . . 393 SER CB . 51750 1 370 . 1 . 1 166 166 SER N N 15 112.0745749 0.1225089834 . . . . . . . 393 SER N . 51750 1 371 . 1 . 1 167 167 THR H H 1 7.936487703 0.003739428959 . . . . . . . 394 THR H . 51750 1 372 . 1 . 1 167 167 THR C C 13 174.1303254 0 . . . . . . . 394 THR C . 51750 1 373 . 1 . 1 167 167 THR CA C 13 58.90846418 0.02683252932 . . . . . . . 394 THR CA . 51750 1 374 . 1 . 1 167 167 THR CB C 13 73.52458012 0 . . . . . . . 394 THR CB . 51750 1 375 . 1 . 1 167 167 THR N N 15 110.9122795 0.04346214364 . . . . . . . 394 THR N . 51750 1 376 . 1 . 1 168 168 ASP H H 1 9.194151403 0.006508095344 . . . . . . . 395 ASP H . 51750 1 377 . 1 . 1 168 168 ASP C C 13 180.8877482 0 . . . . . . . 395 ASP C . 51750 1 378 . 1 . 1 168 168 ASP CA C 13 57.84522099 0.1147393365 . . . . . . . 395 ASP CA . 51750 1 379 . 1 . 1 168 168 ASP CB C 13 40.60722127 0 . . . . . . . 395 ASP CB . 51750 1 380 . 1 . 1 168 168 ASP N N 15 120.8495346 0.09261418543 . . . . . . . 395 ASP N . 51750 1 381 . 1 . 1 169 169 GLU H H 1 8.541312148 0.007693305208 . . . . . . . 396 GLU H . 51750 1 382 . 1 . 1 169 169 GLU C C 13 177.6979061 0 . . . . . . . 396 GLU C . 51750 1 383 . 1 . 1 169 169 GLU CA C 13 59.9746626 0.07388298293 . . . . . . . 396 GLU CA . 51750 1 384 . 1 . 1 169 169 GLU CB C 13 29.05539858 0 . . . . . . . 396 GLU CB . 51750 1 385 . 1 . 1 169 169 GLU N N 15 122.6811376 0.05788691089 . . . . . . . 396 GLU N . 51750 1 386 . 1 . 1 170 170 ALA H H 1 7.760234188 0.0041053039 . . . . . . . 397 ALA H . 51750 1 387 . 1 . 1 170 170 ALA C C 13 177.6268402 0 . . . . . . . 397 ALA C . 51750 1 388 . 1 . 1 170 170 ALA CA C 13 51.92323557 0.08019384871 . . . . . . . 397 ALA CA . 51750 1 389 . 1 . 1 170 170 ALA CB C 13 18.64746417 0 . . . . . . . 397 ALA CB . 51750 1 390 . 1 . 1 170 170 ALA N N 15 121.1594447 0.09289294344 . . . . . . . 397 ALA N . 51750 1 391 . 1 . 1 171 171 LYS H H 1 7.992636475 0.006152947256 . . . . . . . 398 LYS H . 51750 1 392 . 1 . 1 171 171 LYS C C 13 177.0042146 0 . . . . . . . 398 LYS C . 51750 1 393 . 1 . 1 171 171 LYS CA C 13 56.33273992 0.1094503174 . . . . . . . 398 LYS CA . 51750 1 394 . 1 . 1 171 171 LYS CB C 13 29.59672586 0 . . . . . . . 398 LYS CB . 51750 1 395 . 1 . 1 171 171 LYS N N 15 118.2285712 0.06339327944 . . . . . . . 398 LYS N . 51750 1 396 . 1 . 1 172 172 GLY H H 1 6.701069894 0.003920636424 . . . . . . . 399 GLY H . 51750 1 397 . 1 . 1 172 172 GLY C C 13 175.0067822 0 . . . . . . . 399 GLY C . 51750 1 398 . 1 . 1 172 172 GLY CA C 13 46.49972432 0.05064557764 . . . . . . . 399 GLY CA . 51750 1 399 . 1 . 1 172 172 GLY N N 15 102.0220651 0.02040253241 . . . . . . . 399 GLY N . 51750 1 400 . 1 . 1 173 173 ALA H H 1 7.308790913 0.004246571776 . . . . . . . 400 ALA H . 51750 1 401 . 1 . 1 173 173 ALA C C 13 178.3561063 0 . . . . . . . 400 ALA C . 51750 1 402 . 1 . 1 173 173 ALA CA C 13 51.16387631 0.08200351328 . . . . . . . 400 ALA CA . 51750 1 403 . 1 . 1 173 173 ALA CB C 13 19.16077612 0 . . . . . . . 400 ALA CB . 51750 1 404 . 1 . 1 173 173 ALA N N 15 123.6795262 0.05534334082 . . . . . . . 400 ALA N . 51750 1 405 . 1 . 1 175 175 VAL H H 1 9.143118248 0.005872143283 . . . . . . . 402 VAL H . 51750 1 406 . 1 . 1 175 175 VAL C C 13 172.2554763 0 . . . . . . . 402 VAL C . 51750 1 407 . 1 . 1 175 175 VAL CA C 13 60.98258101 0.09731559181 . . . . . . . 402 VAL CA . 51750 1 408 . 1 . 1 175 175 VAL CB C 13 33.95524077 0 . . . . . . . 402 VAL CB . 51750 1 409 . 1 . 1 175 175 VAL N N 15 133.9022272 0.08505892299 . . . . . . . 402 VAL N . 51750 1 410 . 1 . 1 176 176 LEU H H 1 8.749524811 0.004045433084 . . . . . . . 403 LEU H . 51750 1 411 . 1 . 1 176 176 LEU C C 13 172.2825472 0 . . . . . . . 403 LEU C . 51750 1 412 . 1 . 1 176 176 LEU CA C 13 52.97640488 0.05700748334 . . . . . . . 403 LEU CA . 51750 1 413 . 1 . 1 176 176 LEU CB C 13 46.19523197 0 . . . . . . . 403 LEU CB . 51750 1 414 . 1 . 1 176 176 LEU N N 15 122.968511 0.03984074369 . . . . . . . 403 LEU N . 51750 1 415 . 1 . 1 177 177 SER H H 1 9.437231324 0.005214017273 . . . . . . . 404 SER H . 51750 1 416 . 1 . 1 177 177 SER C C 13 172.9179837 0 . . . . . . . 404 SER C . 51750 1 417 . 1 . 1 177 177 SER CA C 13 57.95563753 0.07739958328 . . . . . . . 404 SER CA . 51750 1 418 . 1 . 1 177 177 SER CB C 13 66.74049859 0 . . . . . . . 404 SER CB . 51750 1 419 . 1 . 1 177 177 SER N N 15 116.3588505 0.05842419822 . . . . . . . 404 SER N . 51750 1 420 . 1 . 1 178 178 LYS H H 1 8.724146607 0.003774275369 . . . . . . . 405 LYS H . 51750 1 421 . 1 . 1 178 178 LYS C C 13 175.1460325 0 . . . . . . . 405 LYS C . 51750 1 422 . 1 . 1 178 178 LYS CA C 13 55.36375977 0.07784725397 . . . . . . . 405 LYS CA . 51750 1 423 . 1 . 1 178 178 LYS N N 15 127.568469 0.0684344286 . . . . . . . 405 LYS N . 51750 1 424 . 1 . 1 179 179 LEU H H 1 9.37407023 0.003527963824 . . . . . . . 406 LEU H . 51750 1 425 . 1 . 1 179 179 LEU C C 13 171.4619609 0 . . . . . . . 406 LEU C . 51750 1 426 . 1 . 1 179 179 LEU CA C 13 60.5366059 0.06226125194 . . . . . . . 406 LEU CA . 51750 1 427 . 1 . 1 179 179 LEU N N 15 117.5671761 0.06171385006 . . . . . . . 406 LEU N . 51750 1 428 . 1 . 1 187 187 GLU H H 1 8.98299239 0.00510367512 . . . . . . . 414 GLU H . 51750 1 429 . 1 . 1 187 187 GLU C C 13 176.3456964 0 . . . . . . . 414 GLU C . 51750 1 430 . 1 . 1 187 187 GLU CA C 13 57.25580347 0.1043778762 . . . . . . . 414 GLU CA . 51750 1 431 . 1 . 1 187 187 GLU CB C 13 30.79984905 0 . . . . . . . 414 GLU CB . 51750 1 432 . 1 . 1 187 187 GLU N N 15 132.177485 0.05571528256 . . . . . . . 414 GLU N . 51750 1 433 . 1 . 1 188 188 GLN H H 1 7.09503329 0.002884779623 . . . . . . . 415 GLN H . 51750 1 434 . 1 . 1 188 188 GLN C C 13 173.6165478 0 . . . . . . . 415 GLN C . 51750 1 435 . 1 . 1 188 188 GLN CA C 13 56.33271772 0.1053519224 . . . . . . . 415 GLN CA . 51750 1 436 . 1 . 1 188 188 GLN CB C 13 30.59598029 0 . . . . . . . 415 GLN CB . 51750 1 437 . 1 . 1 188 188 GLN N N 15 117.1972478 0.05728863255 . . . . . . . 415 GLN N . 51750 1 438 . 1 . 1 189 189 THR H H 1 7.948288927 0.00549301231 . . . . . . . 416 THR H . 51750 1 439 . 1 . 1 189 189 THR C C 13 172.6234893 0 . . . . . . . 416 THR C . 51750 1 440 . 1 . 1 189 189 THR CA C 13 62.33950242 0.07124276281 . . . . . . . 416 THR CA . 51750 1 441 . 1 . 1 189 189 THR CB C 13 73.0492659 0 . . . . . . . 416 THR CB . 51750 1 442 . 1 . 1 189 189 THR N N 15 121.3389136 0.0622357968 . . . . . . . 416 THR N . 51750 1 443 . 1 . 1 190 190 TRP H H 1 10.02449713 0.005660409435 . . . . . . . 417 TRP H . 51750 1 444 . 1 . 1 190 190 TRP C C 13 173.2766682 0 . . . . . . . 417 TRP C . 51750 1 445 . 1 . 1 190 190 TRP CA C 13 58.78799601 0.1086187998 . . . . . . . 417 TRP CA . 51750 1 446 . 1 . 1 190 190 TRP CB C 13 33.5973359 0 . . . . . . . 417 TRP CB . 51750 1 447 . 1 . 1 190 190 TRP N N 15 129.8325156 0.07866859952 . . . . . . . 417 TRP N . 51750 1 448 . 1 . 1 191 191 GLU H H 1 8.53618866 0.007898708119 . . . . . . . 418 GLU H . 51750 1 449 . 1 . 1 191 191 GLU C C 13 175.4955956 0 . . . . . . . 418 GLU C . 51750 1 450 . 1 . 1 191 191 GLU CA C 13 55.60082408 0.05555605577 . . . . . . . 418 GLU CA . 51750 1 451 . 1 . 1 191 191 GLU CB C 13 31.38857034 0 . . . . . . . 418 GLU CB . 51750 1 452 . 1 . 1 191 191 GLU N N 15 121.8287961 0.09756144782 . . . . . . . 418 GLU N . 51750 1 453 . 1 . 1 192 192 THR H H 1 7.659100256 0.003913683648 . . . . . . . 419 THR H . 51750 1 454 . 1 . 1 192 192 THR C C 13 172.3256335 0 . . . . . . . 419 THR C . 51750 1 455 . 1 . 1 192 192 THR CA C 13 60.82016279 0.09548897552 . . . . . . . 419 THR CA . 51750 1 456 . 1 . 1 192 192 THR CB C 13 70.62648171 0 . . . . . . . 419 THR CB . 51750 1 457 . 1 . 1 192 192 THR N N 15 115.2976074 0.04243114579 . . . . . . . 419 THR N . 51750 1 458 . 1 . 1 194 194 ILE H H 1 8.516618586 0.003516894287 . . . . . . . 421 ILE H . 51750 1 459 . 1 . 1 194 194 ILE C C 13 177.6139387 0 . . . . . . . 421 ILE C . 51750 1 460 . 1 . 1 194 194 ILE CA C 13 57.59947341 0.107978229 . . . . . . . 421 ILE CA . 51750 1 461 . 1 . 1 194 194 ILE N N 15 118.3191984 0.07801699065 . . . . . . . 421 ILE N . 51750 1 462 . 1 . 1 195 195 ARG H H 1 7.087593888 0.005789495669 . . . . . . . 422 ARG H . 51750 1 463 . 1 . 1 195 195 ARG C C 13 175.4397582 0 . . . . . . . 422 ARG C . 51750 1 464 . 1 . 1 195 195 ARG CA C 13 51.54425629 0.1034322962 . . . . . . . 422 ARG CA . 51750 1 465 . 1 . 1 195 195 ARG N N 15 113.2551187 0.05178107865 . . . . . . . 422 ARG N . 51750 1 466 . 1 . 1 196 196 LYS H H 1 8.085829235 0.004275316672 . . . . . . . 423 LYS H . 51750 1 467 . 1 . 1 196 196 LYS C C 13 173.5652704 0 . . . . . . . 423 LYS C . 51750 1 468 . 1 . 1 196 196 LYS CA C 13 56.31541171 0.1111979344 . . . . . . . 423 LYS CA . 51750 1 469 . 1 . 1 196 196 LYS CB C 13 38.95642504 0 . . . . . . . 423 LYS CB . 51750 1 470 . 1 . 1 196 196 LYS N N 15 113.6019946 0.05293903838 . . . . . . . 423 LYS N . 51750 1 471 . 1 . 1 197 197 GLN H H 1 7.607792403 0.003868975121 . . . . . . . 424 GLN H . 51750 1 472 . 1 . 1 197 197 GLN C C 13 176.5330572 0 . . . . . . . 424 GLN C . 51750 1 473 . 1 . 1 197 197 GLN CA C 13 56.71783046 0.08038758918 . . . . . . . 424 GLN CA . 51750 1 474 . 1 . 1 197 197 GLN CB C 13 29.92636406 0.2298124628 . . . . . . . 424 GLN CB . 51750 1 475 . 1 . 1 197 197 GLN N N 15 115.0203618 0.06123461186 . . . . . . . 424 GLN N . 51750 1 476 . 1 . 1 198 198 SER H H 1 7.622909192 0.003460604309 . . . . . . . 425 SER H . 51750 1 477 . 1 . 1 198 198 SER C C 13 174.5353049 0 . . . . . . . 425 SER C . 51750 1 478 . 1 . 1 198 198 SER CA C 13 59.04466786 0.09748443282 . . . . . . . 425 SER CA . 51750 1 479 . 1 . 1 198 198 SER CB C 13 65.07555731 0 . . . . . . . 425 SER CB . 51750 1 480 . 1 . 1 198 198 SER N N 15 111.9809653 0.05111134842 . . . . . . . 425 SER N . 51750 1 481 . 1 . 1 199 199 VAL H H 1 7.772049452 0.004258713141 . . . . . . . 426 VAL H . 51750 1 482 . 1 . 1 199 199 VAL C C 13 174.5258319 0 . . . . . . . 426 VAL C . 51750 1 483 . 1 . 1 199 199 VAL CA C 13 59.35878647 0.06343110667 . . . . . . . 426 VAL CA . 51750 1 484 . 1 . 1 199 199 VAL CB C 13 34.55774808 0 . . . . . . . 426 VAL CB . 51750 1 485 . 1 . 1 199 199 VAL N N 15 115.7246372 0.06867404622 . . . . . . . 426 VAL N . 51750 1 486 . 1 . 1 201 201 ASN H H 1 7.41566189 0.004105900151 . . . . . . . 428 ASN H . 51750 1 487 . 1 . 1 201 201 ASN C C 13 172.1994314 0 . . . . . . . 428 ASN C . 51750 1 488 . 1 . 1 201 201 ASN CA C 13 50.22442448 0.02167708786 . . . . . . . 428 ASN CA . 51750 1 489 . 1 . 1 201 201 ASN CB C 13 41.27902215 0 . . . . . . . 428 ASN CB . 51750 1 490 . 1 . 1 201 201 ASN N N 15 108.8040625 0.06719037421 . . . . . . . 428 ASN N . 51750 1 491 . 1 . 1 202 202 ALA H H 1 9.80488587 0.004938760807 . . . . . . . 429 ALA H . 51750 1 492 . 1 . 1 202 202 ALA C C 13 174.8119087 0 . . . . . . . 429 ALA C . 51750 1 493 . 1 . 1 202 202 ALA CA C 13 52.00545235 0.08940507728 . . . . . . . 429 ALA CA . 51750 1 494 . 1 . 1 202 202 ALA CB C 13 22.63881873 0 . . . . . . . 429 ALA CB . 51750 1 495 . 1 . 1 202 202 ALA N N 15 120.3653805 0.06934208022 . . . . . . . 429 ALA N . 51750 1 496 . 1 . 1 203 203 PHE H H 1 8.272606474 0.003054469574 . . . . . . . 430 PHE H . 51750 1 497 . 1 . 1 203 203 PHE C C 13 171.6247804 0 . . . . . . . 430 PHE C . 51750 1 498 . 1 . 1 203 203 PHE CA C 13 56.76978186 0.07118878464 . . . . . . . 430 PHE CA . 51750 1 499 . 1 . 1 203 203 PHE CB C 13 40.18047511 0 . . . . . . . 430 PHE CB . 51750 1 500 . 1 . 1 203 203 PHE N N 15 115.0449834 0.06738656495 . . . . . . . 430 PHE N . 51750 1 501 . 1 . 1 204 204 ILE H H 1 6.412681868 0.002956622747 . . . . . . . 431 ILE H . 51750 1 502 . 1 . 1 204 204 ILE CA C 13 59.62197964 0 . . . . . . . 431 ILE CA . 51750 1 503 . 1 . 1 204 204 ILE N N 15 118.6814519 0.1167418289 . . . . . . . 431 ILE N . 51750 1 504 . 1 . 1 205 205 ILE H H 1 7.574713144 0.008368221462 . . . . . . . 432 ILE H . 51750 1 505 . 1 . 1 205 205 ILE CA C 13 59.51000262 0.06146978354 . . . . . . . 432 ILE CA . 51750 1 506 . 1 . 1 205 205 ILE N N 15 131.0627613 0.03339632741 . . . . . . . 432 ILE N . 51750 1 507 . 1 . 1 206 206 CYS H H 1 9.111898787 0.005601588094 . . . . . . . 433 CYS H . 51750 1 508 . 1 . 1 206 206 CYS C C 13 173.3306143 0 . . . . . . . 433 CYS C . 51750 1 509 . 1 . 1 206 206 CYS CA C 13 56.31250207 0.1065687062 . . . . . . . 433 CYS CA . 51750 1 510 . 1 . 1 206 206 CYS CB C 13 41.00508203 0 . . . . . . . 433 CYS CB . 51750 1 511 . 1 . 1 206 206 CYS N N 15 117.666071 0.06529123423 . . . . . . . 433 CYS N . 51750 1 512 . 1 . 1 207 207 GLY H H 1 10.07537165 0.004013906033 . . . . . . . 434 GLY H . 51750 1 513 . 1 . 1 207 207 GLY C C 13 174.6429967 0 . . . . . . . 434 GLY C . 51750 1 514 . 1 . 1 207 207 GLY CA C 13 45.6956011 0 . . . . . . . 434 GLY CA . 51750 1 515 . 1 . 1 207 207 GLY N N 15 107.0747926 0.06353213106 . . . . . . . 434 GLY N . 51750 1 516 . 1 . 1 208 208 THR H H 1 8.035495346 0.003808503295 . . . . . . . 435 THR H . 51750 1 517 . 1 . 1 208 208 THR CA C 13 60.9501428 0.03682303269 . . . . . . . 435 THR CA . 51750 1 518 . 1 . 1 208 208 THR CB C 13 69.46467773 0 . . . . . . . 435 THR CB . 51750 1 519 . 1 . 1 208 208 THR N N 15 120.3616144 0.05861566514 . . . . . . . 435 THR N . 51750 1 520 . 1 . 1 209 209 LEU H H 1 8.68840812 0.002831271871 . . . . . . . 436 LEU H . 51750 1 521 . 1 . 1 209 209 LEU CA C 13 53.95445381 0.2139371761 . . . . . . . 436 LEU CA . 51750 1 522 . 1 . 1 209 209 LEU CB C 13 43.71487952 0 . . . . . . . 436 LEU CB . 51750 1 523 . 1 . 1 209 209 LEU N N 15 129.0955827 0.119636765 . . . . . . . 436 LEU N . 51750 1 524 . 1 . 1 210 210 TYR H H 1 9.414237552 0.003932558072 . . . . . . . 437 TYR H . 51750 1 525 . 1 . 1 210 210 TYR C C 13 176.0054867 0 . . . . . . . 437 TYR C . 51750 1 526 . 1 . 1 210 210 TYR CA C 13 56.45459516 0 . . . . . . . 437 TYR CA . 51750 1 527 . 1 . 1 210 210 TYR N N 15 128.3631977 0.02793839803 . . . . . . . 437 TYR N . 51750 1 528 . 1 . 1 211 211 THR H H 1 7.756655128 0.005121902974 . . . . . . . 438 THR H . 51750 1 529 . 1 . 1 211 211 THR C C 13 172.3022744 0 . . . . . . . 438 THR C . 51750 1 530 . 1 . 1 211 211 THR CA C 13 59.31778184 0.1167111105 . . . . . . . 438 THR CA . 51750 1 531 . 1 . 1 211 211 THR CB C 13 70.89365174 0 . . . . . . . 438 THR CB . 51750 1 532 . 1 . 1 211 211 THR N N 15 107.5117359 0.06701643137 . . . . . . . 438 THR N . 51750 1 533 . 1 . 1 219 219 ASP H H 1 8.180578473 0.005010912125 . . . . . . . 446 ASP H . 51750 1 534 . 1 . 1 219 219 ASP C C 13 175.0391603 0.004796242704 . . . . . . . 446 ASP C . 51750 1 535 . 1 . 1 219 219 ASP CA C 13 52.82908512 0.07466332153 . . . . . . . 446 ASP CA . 51750 1 536 . 1 . 1 219 219 ASP CB C 13 41.15917522 0.01331339152 . . . . . . . 446 ASP CB . 51750 1 537 . 1 . 1 219 219 ASP N N 15 117.7644135 0.07873839981 . . . . . . . 446 ASP N . 51750 1 538 . 1 . 1 220 220 ALA H H 1 7.462338142 0.006694238818 . . . . . . . 447 ALA H . 51750 1 539 . 1 . 1 220 220 ALA C C 13 176.2085617 0 . . . . . . . 447 ALA C . 51750 1 540 . 1 . 1 220 220 ALA CA C 13 51.02198293 0.1004970018 . . . . . . . 447 ALA CA . 51750 1 541 . 1 . 1 220 220 ALA CB C 13 20.99157446 0 . . . . . . . 447 ALA CB . 51750 1 542 . 1 . 1 220 220 ALA N N 15 124.2472187 0.06110905142 . . . . . . . 447 ALA N . 51750 1 543 . 1 . 1 221 221 THR H H 1 8.461378734 0.00372351458 . . . . . . . 448 THR H . 51750 1 544 . 1 . 1 221 221 THR C C 13 175.2783623 0 . . . . . . . 448 THR C . 51750 1 545 . 1 . 1 221 221 THR CA C 13 59.61143847 0.07360272188 . . . . . . . 448 THR CA . 51750 1 546 . 1 . 1 221 221 THR CB C 13 72.63103348 0 . . . . . . . 448 THR CB . 51750 1 547 . 1 . 1 221 221 THR N N 15 109.692527 0.1245283992 . . . . . . . 448 THR N . 51750 1 548 . 1 . 1 222 222 VAL H H 1 9.147609366 0.007217577044 . . . . . . . 449 VAL H . 51750 1 549 . 1 . 1 222 222 VAL CA C 13 62.61055249 0.08355951529 . . . . . . . 449 VAL CA . 51750 1 550 . 1 . 1 222 222 VAL CB C 13 31.11344625 0 . . . . . . . 449 VAL CB . 51750 1 551 . 1 . 1 222 222 VAL N N 15 124.382783 0.1006731213 . . . . . . . 449 VAL N . 51750 1 552 . 1 . 1 227 227 ASP H H 1 7.477097566 0.003637166561 . . . . . . . 454 ASP H . 51750 1 553 . 1 . 1 227 227 ASP C C 13 176.3665584 0 . . . . . . . 454 ASP C . 51750 1 554 . 1 . 1 227 227 ASP CA C 13 53.15106643 0.06075115963 . . . . . . . 454 ASP CA . 51750 1 555 . 1 . 1 227 227 ASP CB C 13 42.38545067 0 . . . . . . . 454 ASP CB . 51750 1 556 . 1 . 1 227 227 ASP N N 15 128.7831537 0.08776707689 . . . . . . . 454 ASP N . 51750 1 557 . 1 . 1 228 228 THR H H 1 7.567284219 0.005646964838 . . . . . . . 455 THR H . 51750 1 558 . 1 . 1 228 228 THR CA C 13 64.97580046 0.03998073749 . . . . . . . 455 THR CA . 51750 1 559 . 1 . 1 228 228 THR CB C 13 68.23681489 0 . . . . . . . 455 THR CB . 51750 1 560 . 1 . 1 228 228 THR N N 15 117.5799206 0.08695570944 . . . . . . . 455 THR N . 51750 1 561 . 1 . 1 229 229 GLY H H 1 8.519636685 0.003255478118 . . . . . . . 456 GLY H . 51750 1 562 . 1 . 1 229 229 GLY C C 13 175.4124245 0 . . . . . . . 456 GLY C . 51750 1 563 . 1 . 1 229 229 GLY CA C 13 46.48410248 0.04210869676 . . . . . . . 456 GLY CA . 51750 1 564 . 1 . 1 229 229 GLY N N 15 110.4163393 0.1197779082 . . . . . . . 456 GLY N . 51750 1 565 . 1 . 1 230 230 THR H H 1 6.947210269 0.00363302095 . . . . . . . 457 THR H . 51750 1 566 . 1 . 1 230 230 THR C C 13 176.3887916 0 . . . . . . . 457 THR C . 51750 1 567 . 1 . 1 230 230 THR CA C 13 61.2048607 0.0257907579 . . . . . . . 457 THR CA . 51750 1 568 . 1 . 1 230 230 THR CB C 13 71.23039392 0 . . . . . . . 457 THR CB . 51750 1 569 . 1 . 1 230 230 THR N N 15 107.2518977 0.05723147231 . . . . . . . 457 THR N . 51750 1 570 . 1 . 1 231 231 GLY H H 1 8.485997817 0.006066615091 . . . . . . . 458 GLY H . 51750 1 571 . 1 . 1 231 231 GLY CA C 13 45.57479226 0.03435356566 . . . . . . . 458 GLY CA . 51750 1 572 . 1 . 1 231 231 GLY N N 15 112.8463415 0.1169923706 . . . . . . . 458 GLY N . 51750 1 573 . 1 . 1 232 232 ILE H H 1 7.148009993 0.003970431035 . . . . . . . 459 ILE H . 51750 1 574 . 1 . 1 232 232 ILE C C 13 175.5455264 0 . . . . . . . 459 ILE C . 51750 1 575 . 1 . 1 232 232 ILE CA C 13 60.95469273 0.06630451647 . . . . . . . 459 ILE CA . 51750 1 576 . 1 . 1 232 232 ILE CB C 13 39.2769253 0 . . . . . . . 459 ILE CB . 51750 1 577 . 1 . 1 232 232 ILE N N 15 120.6330223 0.05490228412 . . . . . . . 459 ILE N . 51750 1 578 . 1 . 1 233 233 SER H H 1 8.412968718 0.00586972541 . . . . . . . 460 SER H . 51750 1 579 . 1 . 1 233 233 SER C C 13 173.5328389 0 . . . . . . . 460 SER C . 51750 1 580 . 1 . 1 233 233 SER CA C 13 56.16413109 0.07553944179 . . . . . . . 460 SER CA . 51750 1 581 . 1 . 1 233 233 SER CB C 13 66.25280694 0 . . . . . . . 460 SER CB . 51750 1 582 . 1 . 1 233 233 SER N N 15 123.613317 0.05886681043 . . . . . . . 460 SER N . 51750 1 583 . 1 . 1 234 234 LYS H H 1 8.902078242 0.004665388544 . . . . . . . 461 LYS H . 51750 1 584 . 1 . 1 234 234 LYS C C 13 174.7656644 0 . . . . . . . 461 LYS C . 51750 1 585 . 1 . 1 234 234 LYS CA C 13 55.01316945 0.08341193391 . . . . . . . 461 LYS CA . 51750 1 586 . 1 . 1 234 234 LYS CB C 13 36.56976438 0 . . . . . . . 461 LYS CB . 51750 1 587 . 1 . 1 234 234 LYS N N 15 121.5679214 0.05801176257 . . . . . . . 461 LYS N . 51750 1 588 . 1 . 1 235 235 THR H H 1 8.16052044 0.005054930373 . . . . . . . 462 THR H . 51750 1 589 . 1 . 1 235 235 THR C C 13 173.59646 0 . . . . . . . 462 THR C . 51750 1 590 . 1 . 1 235 235 THR CA C 13 61.4656025 0.005612979474 . . . . . . . 462 THR CA . 51750 1 591 . 1 . 1 235 235 THR CB C 13 70.01176843 0 . . . . . . . 462 THR CB . 51750 1 592 . 1 . 1 235 235 THR N N 15 114.7182504 0.03988641726 . . . . . . . 462 THR N . 51750 1 593 . 1 . 1 236 236 LEU H H 1 7.615710089 0.004012539985 . . . . . . . 463 LEU H . 51750 1 594 . 1 . 1 236 236 LEU C C 13 173.6284423 0 . . . . . . . 463 LEU C . 51750 1 595 . 1 . 1 236 236 LEU CA C 13 53.40022143 0.1003106472 . . . . . . . 463 LEU CA . 51750 1 596 . 1 . 1 236 236 LEU CB C 13 48.03078292 0 . . . . . . . 463 LEU CB . 51750 1 597 . 1 . 1 236 236 LEU N N 15 124.1104767 0.08370054686 . . . . . . . 463 LEU N . 51750 1 598 . 1 . 1 251 251 ASP H H 1 8.495507869 0.003048676923 . . . . . . . 478 ASP H . 51750 1 599 . 1 . 1 251 251 ASP CA C 13 58.0710644 0 . . . . . . . 478 ASP CA . 51750 1 600 . 1 . 1 251 251 ASP N N 15 124.9190924 0.07309881156 . . . . . . . 478 ASP N . 51750 1 601 . 1 . 1 252 252 TYR H H 1 7.716187313 0.004265217617 . . . . . . . 479 TYR H . 51750 1 602 . 1 . 1 252 252 TYR CA C 13 60.2023522 0 . . . . . . . 479 TYR CA . 51750 1 603 . 1 . 1 252 252 TYR N N 15 121.1545738 0.07341325523 . . . . . . . 479 TYR N . 51750 1 604 . 1 . 1 253 253 ASN H H 1 8.29838824 0.003259421801 . . . . . . . 480 ASN H . 51750 1 605 . 1 . 1 253 253 ASN CA C 13 54.23804464 0 . . . . . . . 480 ASN CA . 51750 1 606 . 1 . 1 253 253 ASN N N 15 124.5821724 0.07279843215 . . . . . . . 480 ASN N . 51750 1 607 . 1 . 1 257 257 LYS H H 1 8.226272881 0.004881676579 . . . . . . . 484 LYS H . 51750 1 608 . 1 . 1 257 257 LYS CA C 13 54.85923873 0 . . . . . . . 484 LYS CA . 51750 1 609 . 1 . 1 257 257 LYS N N 15 123.1748461 0.1557315046 . . . . . . . 484 LYS N . 51750 1 610 . 1 . 1 258 258 LYS H H 1 7.624837858 0.01140953995 . . . . . . . 485 LYS H . 51750 1 611 . 1 . 1 258 258 LYS CA C 13 52.48193152 0.03674710726 . . . . . . . 485 LYS CA . 51750 1 612 . 1 . 1 258 258 LYS N N 15 125.4509569 0.04638201329 . . . . . . . 485 LYS N . 51750 1 613 . 1 . 1 259 259 LEU H H 1 8.755833024 0.003635413028 . . . . . . . 486 LEU H . 51750 1 614 . 1 . 1 259 259 LEU C C 13 175.5799111 0 . . . . . . . 486 LEU C . 51750 1 615 . 1 . 1 259 259 LEU CA C 13 51.24587704 0.1153375837 . . . . . . . 486 LEU CA . 51750 1 616 . 1 . 1 259 259 LEU CB C 13 39.64118789 0 . . . . . . . 486 LEU CB . 51750 1 617 . 1 . 1 259 259 LEU N N 15 124.2495151 0.06510501389 . . . . . . . 486 LEU N . 51750 1 618 . 1 . 1 260 260 PHE H H 1 8.5573738 0.004704631823 . . . . . . . 487 PHE H . 51750 1 619 . 1 . 1 260 260 PHE CA C 13 55.9536976 0.04856990259 . . . . . . . 487 PHE CA . 51750 1 620 . 1 . 1 260 260 PHE CB C 13 43.1454149 0 . . . . . . . 487 PHE CB . 51750 1 621 . 1 . 1 260 260 PHE N N 15 127.9524086 0.02711956472 . . . . . . . 487 PHE N . 51750 1 622 . 1 . 1 261 261 ALA H H 1 8.847968461 0.003954857579 . . . . . . . 488 ALA H . 51750 1 623 . 1 . 1 261 261 ALA C C 13 174.7611921 0 . . . . . . . 488 ALA C . 51750 1 624 . 1 . 1 261 261 ALA CA C 13 51.7389629 0.08150984889 . . . . . . . 488 ALA CA . 51750 1 625 . 1 . 1 261 261 ALA CB C 13 23.45042468 0 . . . . . . . 488 ALA CB . 51750 1 626 . 1 . 1 261 261 ALA N N 15 123.8472387 0.08662013435 . . . . . . . 488 ALA N . 51750 1 627 . 1 . 1 262 262 TRP H H 1 9.23715843 0.004923067636 . . . . . . . 489 TRP H . 51750 1 628 . 1 . 1 262 262 TRP CA C 13 59.69956654 0 . . . . . . . 489 TRP CA . 51750 1 629 . 1 . 1 262 262 TRP N N 15 119.8776412 0.06804987332 . . . . . . . 489 TRP N . 51750 1 630 . 1 . 1 271 271 ASP H H 1 8.952578859 0.00385816909 . . . . . . . 498 ASP H . 51750 1 631 . 1 . 1 271 271 ASP C C 13 175.5023557 0 . . . . . . . 498 ASP C . 51750 1 632 . 1 . 1 271 271 ASP CA C 13 54.66799189 0.05535406734 . . . . . . . 498 ASP CA . 51750 1 633 . 1 . 1 271 271 ASP CB C 13 41.70934009 0.004939702269 . . . . . . . 498 ASP CB . 51750 1 634 . 1 . 1 271 271 ASP N N 15 123.9961345 0.04257970691 . . . . . . . 498 ASP N . 51750 1 635 . 1 . 1 272 272 ILE H H 1 8.217605226 0.009863222931 . . . . . . . 499 ILE H . 51750 1 636 . 1 . 1 272 272 ILE CA C 13 58.86374833 0 . . . . . . . 499 ILE CA . 51750 1 637 . 1 . 1 272 272 ILE N N 15 111.4465254 0.1148521661 . . . . . . . 499 ILE N . 51750 1 638 . 1 . 1 273 273 LYS H H 1 8.341683486 0.004086612647 . . . . . . . 500 LYS H . 51750 1 639 . 1 . 1 273 273 LYS C C 13 174.440108 0 . . . . . . . 500 LYS C . 51750 1 640 . 1 . 1 273 273 LYS CA C 13 56.31526773 0.1907121414 . . . . . . . 500 LYS CA . 51750 1 641 . 1 . 1 273 273 LYS CB C 13 37.56539076 0 . . . . . . . 500 LYS CB . 51750 1 642 . 1 . 1 273 273 LYS N N 15 120.023812 0.09039060105 . . . . . . . 500 LYS N . 51750 1 643 . 1 . 1 274 274 LEU H H 1 8.691066919 0.007039347583 . . . . . . . 501 LEU H . 51750 1 644 . 1 . 1 274 274 LEU CA C 13 52.46054305 0.05614032026 . . . . . . . 501 LEU CA . 51750 1 645 . 1 . 1 274 274 LEU CB C 13 43.86249468 0 . . . . . . . 501 LEU CB . 51750 1 646 . 1 . 1 274 274 LEU N N 15 124.6150136 0.05206858076 . . . . . . . 501 LEU N . 51750 1 647 . 1 . 1 275 275 SER H H 1 9.186138569 0.004678094772 . . . . . . . 502 SER H . 51750 1 648 . 1 . 1 275 275 SER C C 13 174.003384 0 . . . . . . . 502 SER C . 51750 1 649 . 1 . 1 275 275 SER CA C 13 58.0968518 0.07718636641 . . . . . . . 502 SER CA . 51750 1 650 . 1 . 1 275 275 SER CB C 13 64.72284182 0 . . . . . . . 502 SER CB . 51750 1 651 . 1 . 1 275 275 SER N N 15 116.4601276 0.103387877 . . . . . . . 502 SER N . 51750 1 652 . 1 . 1 276 276 LYS H H 1 8.298709717 0.004229344628 . . . . . . . 503 LYS H . 51750 1 653 . 1 . 1 276 276 LYS CA C 13 56.28163854 0.08330307965 . . . . . . . 503 LYS CA . 51750 1 654 . 1 . 1 276 276 LYS CB C 13 33.35412976 0 . . . . . . . 503 LYS CB . 51750 1 655 . 1 . 1 276 276 LYS N N 15 124.7302628 0.06688657426 . . . . . . . 503 LYS N . 51750 1 656 . 1 . 1 277 277 MET H H 1 8.055478104 0.008201916854 . . . . . . . 504 MET H . 51750 1 657 . 1 . 1 277 277 MET C C 13 180.9381009 0 . . . . . . . 504 MET C . 51750 1 658 . 1 . 1 277 277 MET CA C 13 57.02904381 0.05974170926 . . . . . . . 504 MET CA . 51750 1 659 . 1 . 1 277 277 MET CB C 13 33.85412101 0 . . . . . . . 504 MET CB . 51750 1 660 . 1 . 1 277 277 MET N N 15 128.1719704 0.07581857325 . . . . . . . 504 MET N . 51750 1 stop_ save_