################################### # 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 53110 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'AR allTau-5 4G CtoS' _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' . . . 53110 1 2 '3D HNCO' . . . 53110 1 3 '3D HNCA' . . . 53110 1 4 '3D HN(CA)CO' . . . 53110 1 5 '3D HNCACB' . . . 53110 1 6 '3D HN(CO)CACB' . . . 53110 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 . . 53110 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 PRO C C 13 176.7145704 0.0082750228 . 1 . . . . . 329 PRO C . 53110 1 2 . 1 . 1 2 2 PRO CA C 13 62.83980932 . . 1 . . . . . 329 PRO CA . 53110 1 3 . 1 . 1 2 2 PRO CB C 13 32.41579158 . . 1 . . . . . 329 PRO CB . 53110 1 4 . 1 . 1 3 3 ALA H H 1 8.684661387 0.0017187551 . 1 . . . . . 330 ALA H . 53110 1 5 . 1 . 1 3 3 ALA C C 13 177.7323861 0.0131757661 . 1 . . . . . 330 ALA C . 53110 1 6 . 1 . 1 3 3 ALA CA C 13 52.33953652 . . 1 . . . . . 330 ALA CA . 53110 1 7 . 1 . 1 3 3 ALA CB C 13 19.09997605 . . 1 . . . . . 330 ALA CB . 53110 1 8 . 1 . 1 3 3 ALA N N 15 125.1822364 0.014970919 . 1 . . . . . 330 ALA N . 53110 1 9 . 1 . 1 4 4 ALA H H 1 8.577112758 0.0007947627 . 1 . . . . . 331 ALA H . 53110 1 10 . 1 . 1 4 4 ALA C C 13 178.477451 0.0026136098 . 1 . . . . . 331 ALA C . 53110 1 11 . 1 . 1 4 4 ALA CA C 13 52.67564986 0.003492199 . 1 . . . . . 331 ALA CA . 53110 1 12 . 1 . 1 4 4 ALA CB C 13 19.07440404 . . 1 . . . . . 331 ALA CB . 53110 1 13 . 1 . 1 4 4 ALA N N 15 124.2535576 0.0120001624 . 1 . . . . . 331 ALA N . 53110 1 14 . 1 . 1 5 5 GLY H H 1 8.559898289 0.0015932106 . 1 . . . . . 332 GLY H . 53110 1 15 . 1 . 1 5 5 GLY C C 13 174.4003352 0.0065914848 . 1 . . . . . 332 GLY C . 53110 1 16 . 1 . 1 5 5 GLY CA C 13 45.1746355 0.0009124601 . 1 . . . . . 332 GLY CA . 53110 1 17 . 1 . 1 5 5 GLY N N 15 108.9417869 0.0051278826 . 1 . . . . . 332 GLY N . 53110 1 18 . 1 . 1 6 6 SER H H 1 8.345047131 0.003085054 . 1 . . . . . 333 SER H . 53110 1 19 . 1 . 1 6 6 SER C C 13 174.9281634 . . 1 . . . . . 333 SER C . 53110 1 20 . 1 . 1 6 6 SER CA C 13 58.48425421 0.0220755019 . 1 . . . . . 333 SER CA . 53110 1 21 . 1 . 1 6 6 SER CB C 13 63.96306673 . . 1 . . . . . 333 SER CB . 53110 1 22 . 1 . 1 6 6 SER N N 15 115.684761 0.0204393248 . 1 . . . . . 333 SER N . 53110 1 23 . 1 . 1 7 7 SER H H 1 8.628643199 0.0012406349 . 1 . . . . . 334 SER H . 53110 1 24 . 1 . 1 7 7 SER C C 13 175.0979664 . . 1 . . . . . 334 SER C . 53110 1 25 . 1 . 1 7 7 SER CA C 13 58.79283595 0.0654424496 . 1 . . . . . 334 SER CA . 53110 1 26 . 1 . 1 7 7 SER CB C 13 63.9599195 . . 1 . . . . . 334 SER CB . 53110 1 27 . 1 . 1 7 7 SER N N 15 117.9563767 0.0264694738 . 1 . . . . . 334 SER N . 53110 1 28 . 1 . 1 8 8 GLY H H 1 8.541051937 0.0037572204 . 1 . . . . . 335 GLY H . 53110 1 29 . 1 . 1 8 8 GLY C C 13 174.2264787 0.0014216709 . 1 . . . . . 335 GLY C . 53110 1 30 . 1 . 1 8 8 GLY CA C 13 45.32567842 0.0074433101 . 1 . . . . . 335 GLY CA . 53110 1 31 . 1 . 1 8 8 GLY N N 15 110.9971721 0.0133960967 . 1 . . . . . 335 GLY N . 53110 1 32 . 1 . 1 9 9 THR H H 1 8.164066507 0.0053641857 . 1 . . . . . 336 THR H . 53110 1 33 . 1 . 1 9 9 THR C C 13 174.424988 0.0061656103 . 1 . . . . . 336 THR C . 53110 1 34 . 1 . 1 9 9 THR CA C 13 61.82079906 0.0026126729 . 1 . . . . . 336 THR CA . 53110 1 35 . 1 . 1 9 9 THR CB C 13 69.93407812 . . 1 . . . . . 336 THR CB . 53110 1 36 . 1 . 1 9 9 THR N N 15 114.3665253 0.0084030242 . 1 . . . . . 336 THR N . 53110 1 37 . 1 . 1 10 10 LEU H H 1 8.4233042 0.0007256193 . 1 . . . . . 337 LEU H . 53110 1 38 . 1 . 1 10 10 LEU C C 13 177.0771663 0.000250858 . 1 . . . . . 337 LEU C . 53110 1 39 . 1 . 1 10 10 LEU CA C 13 55.15892172 0.0282321822 . 1 . . . . . 337 LEU CA . 53110 1 40 . 1 . 1 10 10 LEU CB C 13 42.36357168 . . 1 . . . . . 337 LEU CB . 53110 1 41 . 1 . 1 10 10 LEU N N 15 125.0392042 0.0158471355 . 1 . . . . . 337 LEU N . 53110 1 42 . 1 . 1 11 11 GLU H H 1 8.46784974 0.0012944544 . 1 . . . . . 338 GLU H . 53110 1 43 . 1 . 1 11 11 GLU C C 13 176.0191891 0.0083739732 . 1 . . . . . 338 GLU C . 53110 1 44 . 1 . 1 11 11 GLU CA C 13 56.11851363 0.0249500687 . 1 . . . . . 338 GLU CA . 53110 1 45 . 1 . 1 11 11 GLU CB C 13 30.29569693 . . 1 . . . . . 338 GLU CB . 53110 1 46 . 1 . 1 11 11 GLU N N 15 122.6249212 0.0153094589 . 1 . . . . . 338 GLU N . 53110 1 47 . 1 . 1 12 12 LEU H H 1 8.486772133 0.0010701989 . 1 . . . . . 339 LEU H . 53110 1 48 . 1 . 1 12 12 LEU C C 13 175.264825 . . 1 . . . . . 339 LEU C . 53110 1 49 . 1 . 1 12 12 LEU CA C 13 52.99088774 . . 1 . . . . . 339 LEU CA . 53110 1 50 . 1 . 1 12 12 LEU CB C 13 41.52817965 . . 1 . . . . . 339 LEU CB . 53110 1 51 . 1 . 1 12 12 LEU N N 15 125.4435902 0.0139212193 . 1 . . . . . 339 LEU N . 53110 1 52 . 1 . 1 13 13 PRO C C 13 177.0957522 . . 1 . . . . . 340 PRO C . 53110 1 53 . 1 . 1 13 13 PRO CA C 13 63.15736034 . . 1 . . . . . 340 PRO CA . 53110 1 54 . 1 . 1 13 13 PRO CB C 13 31.98699565 . . 1 . . . . . 340 PRO CB . 53110 1 55 . 1 . 1 14 14 SER H H 1 8.575909285 0.0021015297 . 1 . . . . . 341 SER H . 53110 1 56 . 1 . 1 14 14 SER C C 13 175.3700238 0.0010816466 . 1 . . . . . 341 SER C . 53110 1 57 . 1 . 1 14 14 SER CA C 13 58.39628298 . . 1 . . . . . 341 SER CA . 53110 1 58 . 1 . 1 14 14 SER CB C 13 63.87052761 . . 1 . . . . . 341 SER CB . 53110 1 59 . 1 . 1 14 14 SER N N 15 116.0959119 0.0195893577 . 1 . . . . . 341 SER N . 53110 1 60 . 1 . 1 15 15 THR H H 1 8.320670983 0.0024055585 . 1 . . . . . 342 THR H . 53110 1 61 . 1 . 1 15 15 THR C C 13 174.8044867 0.0181280677 . 1 . . . . . 342 THR C . 53110 1 62 . 1 . 1 15 15 THR CA C 13 62.41726882 0.0564219285 . 1 . . . . . 342 THR CA . 53110 1 63 . 1 . 1 15 15 THR CB C 13 69.49428259 . . 1 . . . . . 342 THR CB . 53110 1 64 . 1 . 1 15 15 THR N N 15 116.3898962 0.0332552209 . 1 . . . . . 342 THR N . 53110 1 65 . 1 . 1 16 16 LEU H H 1 8.222019266 0.0070633387 . 1 . . . . . 343 LEU H . 53110 1 66 . 1 . 1 16 16 LEU C C 13 177.5983454 0.010972823 . 1 . . . . . 343 LEU C . 53110 1 67 . 1 . 1 16 16 LEU CA C 13 55.65018763 0.053399596 . 1 . . . . . 343 LEU CA . 53110 1 68 . 1 . 1 16 16 LEU CB C 13 42.301 . . 1 . . . . . 343 LEU CB . 53110 1 69 . 1 . 1 16 16 LEU N N 15 123.9266785 0.0206303866 . 1 . . . . . 343 LEU N . 53110 1 70 . 1 . 1 17 17 SER H H 1 8.346422131 0.0013677051 . 1 . . . . . 344 SER H . 53110 1 71 . 1 . 1 17 17 SER C C 13 174.6721566 0.0080603824 . 1 . . . . . 344 SER C . 53110 1 72 . 1 . 1 17 17 SER CA C 13 58.54320542 0.0098929814 . 1 . . . . . 344 SER CA . 53110 1 73 . 1 . 1 17 17 SER CB C 13 63.55796493 . . 1 . . . . . 344 SER CB . 53110 1 74 . 1 . 1 17 17 SER N N 15 116.6191172 0.0140039496 . 1 . . . . . 344 SER N . 53110 1 75 . 1 . 1 18 18 LEU H H 1 8.236221321 0.0039897429 . 1 . . . . . 345 LEU H . 53110 1 76 . 1 . 1 18 18 LEU C C 13 177.1971817 0.0094862005 . 1 . . . . . 345 LEU C . 53110 1 77 . 1 . 1 18 18 LEU CA C 13 55.44502954 0.0576559775 . 1 . . . . . 345 LEU CA . 53110 1 78 . 1 . 1 18 18 LEU CB C 13 42.27471354 . . 1 . . . . . 345 LEU CB . 53110 1 79 . 1 . 1 18 18 LEU N N 15 124.0236217 0.0286438064 . 1 . . . . . 345 LEU N . 53110 1 80 . 1 . 1 19 19 TYR H H 1 8.174452896 0.0018550295 . 1 . . . . . 346 TYR H . 53110 1 81 . 1 . 1 19 19 TYR C C 13 175.7743788 0.0049240864 . 1 . . . . . 346 TYR C . 53110 1 82 . 1 . 1 19 19 TYR CA C 13 58.1104665 0.0354186017 . 1 . . . . . 346 TYR CA . 53110 1 83 . 1 . 1 19 19 TYR CB C 13 38.61242671 . . 1 . . . . . 346 TYR CB . 53110 1 84 . 1 . 1 19 19 TYR N N 15 120.4866629 0.0176880912 . 1 . . . . . 346 TYR N . 53110 1 85 . 1 . 1 20 20 LYS H H 1 8.231832684 0.002252211 . 1 . . . . . 347 LYS H . 53110 1 86 . 1 . 1 20 20 LYS C C 13 176.1673334 0.0133170082 . 1 . . . . . 347 LYS C . 53110 1 87 . 1 . 1 20 20 LYS CA C 13 56.02751174 0.010450551 . 1 . . . . . 347 LYS CA . 53110 1 88 . 1 . 1 20 20 LYS N N 15 124.0161878 0.0188199085 . 1 . . . . . 347 LYS N . 53110 1 89 . 1 . 1 21 21 SER H H 1 8.446597674 0.0031163796 . 1 . . . . . 348 SER H . 53110 1 90 . 1 . 1 21 21 SER C C 13 175.2156316 . . 1 . . . . . 348 SER C . 53110 1 91 . 1 . 1 21 21 SER CA C 13 58.67735042 0.0680825339 . 1 . . . . . 348 SER CA . 53110 1 92 . 1 . 1 21 21 SER CB C 13 63.78786938 . . 1 . . . . . 348 SER CB . 53110 1 93 . 1 . 1 21 21 SER N N 15 117.456779 0.0299687024 . 1 . . . . . 348 SER N . 53110 1 94 . 1 . 1 22 22 GLY H H 1 8.565221499 0.002522784 . 1 . . . . . 349 GLY H . 53110 1 95 . 1 . 1 22 22 GLY C C 13 173.9860902 0.0104358354 . 1 . . . . . 349 GLY C . 53110 1 96 . 1 . 1 22 22 GLY CA C 13 45.31163843 . . 1 . . . . . 349 GLY CA . 53110 1 97 . 1 . 1 22 22 GLY N N 15 111.4859095 0.017628638 . 1 . . . . . 349 GLY N . 53110 1 98 . 1 . 1 23 23 ALA H H 1 8.200175073 0.0021685035 . 1 . . . . . 350 ALA H . 53110 1 99 . 1 . 1 23 23 ALA C C 13 178.0701202 0.009392736551 . 1 . . . . . 350 ALA C . 53110 1 100 . 1 . 1 23 23 ALA CA C 13 52.65084893 0.0215658974 . 1 . . . . . 350 ALA CA . 53110 1 101 . 1 . 1 23 23 ALA CB C 13 19.4674114 . . 1 . . . . . 350 ALA CB . 53110 1 102 . 1 . 1 23 23 ALA N N 15 123.7368969 0.0131053426 . 1 . . . . . 350 ALA N . 53110 1 103 . 1 . 1 24 24 LEU H H 1 8.38622749 0.0005523035 . 1 . . . . . 351 LEU H . 53110 1 104 . 1 . 1 24 24 LEU C C 13 177.3871844 0.0106472455 . 1 . . . . . 351 LEU C . 53110 1 105 . 1 . 1 24 24 LEU CA C 13 55.40269963 0.0242382033 . 1 . . . . . 351 LEU CA . 53110 1 106 . 1 . 1 24 24 LEU CB C 13 42.20765716 . . 1 . . . . . 351 LEU CB . 53110 1 107 . 1 . 1 24 24 LEU N N 15 121.1257281 0.0120561869 . 1 . . . . . 351 LEU N . 53110 1 108 . 1 . 1 25 25 ASP H H 1 8.312426627 0.0015365687 . 1 . . . . . 352 ASP H . 53110 1 109 . 1 . 1 25 25 ASP C C 13 176.6722354 0.0101873978 . 1 . . . . . 352 ASP C . 53110 1 110 . 1 . 1 25 25 ASP CA C 13 54.24778021 0.0124714859 . 1 . . . . . 352 ASP CA . 53110 1 111 . 1 . 1 25 25 ASP CB C 13 40.88806083 0.0376556421 . 1 . . . . . 352 ASP CB . 53110 1 112 . 1 . 1 25 25 ASP N N 15 121.0683494 0.0168137515 . 1 . . . . . 352 ASP N . 53110 1 113 . 1 . 1 26 26 GLU H H 1 8.456144386 0.0014761138 . 1 . . . . . 353 GLU H . 53110 1 114 . 1 . 1 26 26 GLU C C 13 176.9675288 0.0048506047 . 1 . . . . . 353 GLU C . 53110 1 115 . 1 . 1 26 26 GLU CA C 13 57.578222 0.0167181186 . 1 . . . . . 353 GLU CA . 53110 1 116 . 1 . 1 26 26 GLU CB C 13 30.06567832 0.0332346467 . 1 . . . . . 353 GLU CB . 53110 1 117 . 1 . 1 26 26 GLU N N 15 122.2667563 0.012035537 . 1 . . . . . 353 GLU N . 53110 1 118 . 1 . 1 27 27 ALA H H 1 8.324993666 0.0016159314 . 1 . . . . . 354 ALA H . 53110 1 119 . 1 . 1 27 27 ALA C C 13 178.3976412 0.0005780179 . 1 . . . . . 354 ALA C . 53110 1 120 . 1 . 1 27 27 ALA CA C 13 53.24310397 . . 1 . . . . . 354 ALA CA . 53110 1 121 . 1 . 1 27 27 ALA CB C 13 18.79036185 . . 1 . . . . . 354 ALA CB . 53110 1 122 . 1 . 1 27 27 ALA N N 15 123.6062012 0.0242669041 . 1 . . . . . 354 ALA N . 53110 1 123 . 1 . 1 28 28 ALA H H 1 8.088502948 0.0002940218527 . 1 . . . . . 355 ALA H . 53110 1 124 . 1 . 1 28 28 ALA C C 13 178.2482969 0.0054998129 . 1 . . . . . 355 ALA C . 53110 1 125 . 1 . 1 28 28 ALA CA C 13 53.07179563 . . 1 . . . . . 355 ALA CA . 53110 1 126 . 1 . 1 28 28 ALA CB C 13 18.86246896 . . 1 . . . . . 355 ALA CB . 53110 1 127 . 1 . 1 28 28 ALA N N 15 122.1527082 0.01255158611 . 1 . . . . . 355 ALA N . 53110 1 128 . 1 . 1 29 29 ALA H H 1 8.124630975 0.0020160322 . 1 . . . . . 356 ALA H . 53110 1 129 . 1 . 1 29 29 ALA C C 13 178.0719331 0.0046453663 . 1 . . . . . 356 ALA C . 53110 1 130 . 1 . 1 29 29 ALA CA C 13 53.00957185 0.0092049911 . 1 . . . . . 356 ALA CA . 53110 1 131 . 1 . 1 29 29 ALA CB C 13 18.9005887 0.0452619846 . 1 . . . . . 356 ALA CB . 53110 1 132 . 1 . 1 29 29 ALA N N 15 122.1343272 0.0180247054 . 1 . . . . . 356 ALA N . 53110 1 133 . 1 . 1 30 30 TYR H H 1 8.045320747 0.0015544131 . 1 . . . . . 357 TYR H . 53110 1 134 . 1 . 1 30 30 TYR C C 13 176.0815001 0.0077631135 . 1 . . . . . 357 TYR C . 53110 1 135 . 1 . 1 30 30 TYR CA C 13 58.47419962 0.0356883349 . 1 . . . . . 357 TYR CA . 53110 1 136 . 1 . 1 30 30 TYR CB C 13 38.38651614 0.0152721993 . 1 . . . . . 357 TYR CB . 53110 1 137 . 1 . 1 30 30 TYR N N 15 118.7415131 0.0201489159 . 1 . . . . . 357 TYR N . 53110 1 138 . 1 . 1 31 31 GLN H H 1 8.104263873 0.0014282417 . 1 . . . . . 358 GLN H . 53110 1 139 . 1 . 1 31 31 GLN C C 13 175.770257 0.0051381855 . 1 . . . . . 358 GLN C . 53110 1 140 . 1 . 1 31 31 GLN CA C 13 55.81080789 . . 1 . . . . . 358 GLN CA . 53110 1 141 . 1 . 1 31 31 GLN CB C 13 29.46936554 . . 1 . . . . . 358 GLN CB . 53110 1 142 . 1 . 1 31 31 GLN N N 15 121.3861782 0.0240740638 . 1 . . . . . 358 GLN N . 53110 1 143 . 1 . 1 32 32 SER H H 1 8.301535667 0.0034810305 . 1 . . . . . 359 SER H . 53110 1 144 . 1 . 1 32 32 SER C C 13 174.8324991 0.015851253 . 1 . . . . . 359 SER C . 53110 1 145 . 1 . 1 32 32 SER CA C 13 58.65543495 0.064434105 . 1 . . . . . 359 SER CA . 53110 1 146 . 1 . 1 32 32 SER CB C 13 63.52421297 . . 1 . . . . . 359 SER CB . 53110 1 147 . 1 . 1 32 32 SER N N 15 116.64695 0.0213543381 . 1 . . . . . 359 SER N . 53110 1 148 . 1 . 1 33 33 ARG H H 1 8.349206528 0.0025259629 . 1 . . . . . 360 ARG H . 53110 1 149 . 1 . 1 33 33 ARG C C 13 175.9180305 0.0080928227 . 1 . . . . . 360 ARG C . 53110 1 150 . 1 . 1 33 33 ARG CA C 13 56.52124996 0.0427100417 . 1 . . . . . 360 ARG CA . 53110 1 151 . 1 . 1 33 33 ARG N N 15 122.6767727 0.0437356476 . 1 . . . . . 360 ARG N . 53110 1 152 . 1 . 1 34 34 ASP H H 1 8.330198606 0.0023817755 . 1 . . . . . 361 ASP H . 53110 1 153 . 1 . 1 34 34 ASP C C 13 176.096843 . . 1 . . . . . 361 ASP C . 53110 1 154 . 1 . 1 34 34 ASP CA C 13 54.34025121 0.0116184764 . 1 . . . . . 361 ASP CA . 53110 1 155 . 1 . 1 34 34 ASP N N 15 120.5756836 0.0329743657 . 1 . . . . . 361 ASP N . 53110 1 156 . 1 . 1 35 35 TYR H H 1 8.007061426 0.0018895003 . 1 . . . . . 362 TYR H . 53110 1 157 . 1 . 1 35 35 TYR C C 13 175.6302765 0.0092709358 . 1 . . . . . 362 TYR C . 53110 1 158 . 1 . 1 35 35 TYR CA C 13 58.7755958 . . 1 . . . . . 362 TYR CA . 53110 1 159 . 1 . 1 35 35 TYR CB C 13 38.73283968 . . 1 . . . . . 362 TYR CB . 53110 1 160 . 1 . 1 35 35 TYR N N 15 120.2218671 0.0283535165 . 1 . . . . . 362 TYR N . 53110 1 161 . 1 . 1 36 36 TYR H H 1 8.001706108 0.0017067851 . 1 . . . . . 363 TYR H . 53110 1 162 . 1 . 1 36 36 TYR C C 13 175.3192371 0.0061304719 . 1 . . . . . 363 TYR C . 53110 1 163 . 1 . 1 36 36 TYR CA C 13 58.45053581 . . 1 . . . . . 363 TYR CA . 53110 1 164 . 1 . 1 36 36 TYR N N 15 119.8942801 0.0198596091 . 1 . . . . . 363 TYR N . 53110 1 165 . 1 . 1 37 37 ASN H H 1 8.023176315 0.0031300683 . 1 . . . . . 364 ASN H . 53110 1 166 . 1 . 1 37 37 ASN C C 13 174.1289735 0.0060540171 . 1 . . . . . 364 ASN C . 53110 1 167 . 1 . 1 37 37 ASN CA C 13 53.08388 0.0623617927 . 1 . . . . . 364 ASN CA . 53110 1 168 . 1 . 1 37 37 ASN CB C 13 38.92457365 . . 1 . . . . . 364 ASN CB . 53110 1 169 . 1 . 1 37 37 ASN N N 15 119.2894625 0.058227967 . 1 . . . . . 364 ASN N . 53110 1 170 . 1 . 1 38 38 PHE H H 1 8.049659167 0.0048145532 . 1 . . . . . 365 PHE H . 53110 1 171 . 1 . 1 38 38 PHE C C 13 173.6143402 . . 1 . . . . . 365 PHE C . 53110 1 172 . 1 . 1 38 38 PHE CA C 13 55.98653119 . . 1 . . . . . 365 PHE CA . 53110 1 173 . 1 . 1 38 38 PHE CB C 13 38.85551134 . . 1 . . . . . 365 PHE CB . 53110 1 174 . 1 . 1 38 38 PHE N N 15 121.2696248 0.0073069212 . 1 . . . . . 365 PHE N . 53110 1 175 . 1 . 1 39 39 PRO C C 13 176.983438 0.0029097496 . 1 . . . . . 366 PRO C . 53110 1 176 . 1 . 1 39 39 PRO CA C 13 63.28214015 . . 1 . . . . . 366 PRO CA . 53110 1 177 . 1 . 1 40 40 LEU H H 1 8.339033909 0.0034312503 . 1 . . . . . 367 LEU H . 53110 1 178 . 1 . 1 40 40 LEU C C 13 177.3475724 0.0152883867 . 1 . . . . . 367 LEU C . 53110 1 179 . 1 . 1 40 40 LEU CA C 13 55.1932438 0.0126180266 . 1 . . . . . 367 LEU CA . 53110 1 180 . 1 . 1 40 40 LEU CB C 13 42.39739656 . . 1 . . . . . 367 LEU CB . 53110 1 181 . 1 . 1 40 40 LEU N N 15 122.2439779 0.0053990477 . 1 . . . . . 367 LEU N . 53110 1 182 . 1 . 1 41 41 ALA H H 1 8.35467355 0.0016333983 . 1 . . . . . 368 ALA H . 53110 1 183 . 1 . 1 41 41 ALA C C 13 177.6055185 0.0113019159 . 1 . . . . . 368 ALA C . 53110 1 184 . 1 . 1 41 41 ALA CA C 13 52.39570006 . . 1 . . . . . 368 ALA CA . 53110 1 185 . 1 . 1 41 41 ALA N N 15 124.8655624 0.0614938391 . 1 . . . . . 368 ALA N . 53110 1 186 . 1 . 1 42 42 LEU H H 1 8.248554809 0.0019502696 . 1 . . . . . 369 LEU H . 53110 1 187 . 1 . 1 42 42 LEU C C 13 177.1155154 0.0095944461 . 1 . . . . . 369 LEU C . 53110 1 188 . 1 . 1 42 42 LEU CA C 13 54.97679858 0.0562369395 . 1 . . . . . 369 LEU CA . 53110 1 189 . 1 . 1 42 42 LEU CB C 13 42.34804902 . . 1 . . . . . 369 LEU CB . 53110 1 190 . 1 . 1 42 42 LEU N N 15 121.5431644 0.0114116554 . 1 . . . . . 369 LEU N . 53110 1 191 . 1 . 1 43 43 ALA H H 1 8.353095138 0.0020443459 . 1 . . . . . 370 ALA H . 53110 1 192 . 1 . 1 43 43 ALA C C 13 177.6974585 0.0154437472 . 1 . . . . . 370 ALA C . 53110 1 193 . 1 . 1 43 43 ALA CA C 13 52.38966499 0.0383337608 . 1 . . . . . 370 ALA CA . 53110 1 194 . 1 . 1 43 43 ALA CB C 13 19.34610179 0.0144951707 . 1 . . . . . 370 ALA CB . 53110 1 195 . 1 . 1 43 43 ALA N N 15 124.8884649 0.0546186268 . 1 . . . . . 370 ALA N . 53110 1 196 . 1 . 1 44 44 GLY H H 1 8.197572843 0.0015161858 . 1 . . . . . 371 GLY H . 53110 1 197 . 1 . 1 44 44 GLY C C 13 177.9463804 . . 1 . . . . . 371 GLY C . 53110 1 198 . 1 . 1 44 44 GLY CA C 13 44.32198353 . . 1 . . . . . 371 GLY CA . 53110 1 199 . 1 . 1 44 44 GLY N N 15 108.466798 0.0126955838 . 1 . . . . . 371 GLY N . 53110 1 200 . 1 . 1 52 52 PRO C C 13 176.3302461 . . 1 . . . . . 379 PRO C . 53110 1 201 . 1 . 1 53 53 HIS H H 1 8.417660221 0.0036752895 . 1 . . . . . 380 HIS H . 53110 1 202 . 1 . 1 53 53 HIS C C 13 174.2043447 . . 1 . . . . . 380 HIS C . 53110 1 203 . 1 . 1 53 53 HIS CA C 13 54.51037407 . . 1 . . . . . 380 HIS CA . 53110 1 204 . 1 . 1 53 53 HIS N N 15 121.2859832 0.0167321565 . 1 . . . . . 380 HIS N . 53110 1 205 . 1 . 1 54 54 PRO C C 13 176.9111881 . . 1 . . . . . 381 PRO C . 53110 1 206 . 1 . 1 55 55 HIS H H 1 8.872131391 0.002056841 . 1 . . . . . 382 HIS H . 53110 1 207 . 1 . 1 55 55 HIS C C 13 175.37512 . . 1 . . . . . 382 HIS C . 53110 1 208 . 1 . 1 55 55 HIS CA C 13 55.93401478 0.0594195317 . 1 . . . . . 382 HIS CA . 53110 1 209 . 1 . 1 55 55 HIS N N 15 119.7076022 0.0046151444 . 1 . . . . . 382 HIS N . 53110 1 210 . 1 . 1 56 56 ALA H H 1 8.27453452 0.0018495671 . 1 . . . . . 383 ALA H . 53110 1 211 . 1 . 1 56 56 ALA C C 13 177.5861544 . . 1 . . . . . 383 ALA C . 53110 1 212 . 1 . 1 56 56 ALA CA C 13 52.4603806 . . 1 . . . . . 383 ALA CA . 53110 1 213 . 1 . 1 56 56 ALA N N 15 124.8261841 0.0418619958 . 1 . . . . . 383 ALA N . 53110 1 214 . 1 . 1 57 57 ARG H H 1 8.501758145 0.0030870206 . 1 . . . . . 384 ARG H . 53110 1 215 . 1 . 1 57 57 ARG C C 13 176.2799412 0.0163798057 . 1 . . . . . 384 ARG C . 53110 1 216 . 1 . 1 57 57 ARG CA C 13 56.25647741 0.0572828311 . 1 . . . . . 384 ARG CA . 53110 1 217 . 1 . 1 57 57 ARG CB C 13 31.05762121 . . 1 . . . . . 384 ARG CB . 53110 1 218 . 1 . 1 57 57 ARG N N 15 120.7512413 0.0132534693 . 1 . . . . . 384 ARG N . 53110 1 219 . 1 . 1 58 58 ILE H H 1 8.25108297 0.0061031159 . 1 . . . . . 385 ILE H . 53110 1 220 . 1 . 1 58 58 ILE C C 13 175.852605 0.0456868917 . 1 . . . . . 385 ILE C . 53110 1 221 . 1 . 1 58 58 ILE CA C 13 61.27129399 0.0167288562 . 1 . . . . . 385 ILE CA . 53110 1 222 . 1 . 1 58 58 ILE N N 15 122.5088985 0.0725006527 . 1 . . . . . 385 ILE N . 53110 1 223 . 1 . 1 59 59 LYS H H 1 8.479357487 0.0032950141 . 1 . . . . . 386 LYS H . 53110 1 224 . 1 . 1 59 59 LYS C C 13 176.0337201 0.0074030854 . 1 . . . . . 386 LYS C . 53110 1 225 . 1 . 1 59 59 LYS CA C 13 56.14646136 0.0155477621 . 1 . . . . . 386 LYS CA . 53110 1 226 . 1 . 1 59 59 LYS N N 15 126.2200961 0.0271396775 . 1 . . . . . 386 LYS N . 53110 1 227 . 1 . 1 60 60 LEU H H 1 8.417704104 0.0001702913 . 1 . . . . . 387 LEU H . 53110 1 228 . 1 . 1 60 60 LEU C C 13 177.1290233 . . 1 . . . . . 387 LEU C . 53110 1 229 . 1 . 1 60 60 LEU CA C 13 54.82793742 0.046554591 . 1 . . . . . 387 LEU CA . 53110 1 230 . 1 . 1 60 60 LEU N N 15 125.0971914 0.0011622274 . 1 . . . . . 387 LEU N . 53110 1 231 . 1 . 1 61 61 GLU H H 1 8.55086916 0.0026247838 . 1 . . . . . 388 GLU H . 53110 1 232 . 1 . 1 61 61 GLU C C 13 175.8053789 0.0047467163 . 1 . . . . . 388 GLU C . 53110 1 233 . 1 . 1 61 61 GLU CA C 13 56.49130372 . . 1 . . . . . 388 GLU CA . 53110 1 234 . 1 . 1 61 61 GLU CB C 13 30.3570981 . . 1 . . . . . 388 GLU CB . 53110 1 235 . 1 . 1 61 61 GLU N N 15 122.0827744 0.0300758934 . 1 . . . . . 388 GLU N . 53110 1 236 . 1 . 1 62 62 ASN H H 1 8.604550464 0.0027971449 . 1 . . . . . 389 ASN H . 53110 1 237 . 1 . 1 62 62 ASN C C 13 173.5214167 . . 1 . . . . . 389 ASN C . 53110 1 238 . 1 . 1 62 62 ASN CA C 13 50.83814754 . . 1 . . . . . 389 ASN CA . 53110 1 239 . 1 . 1 62 62 ASN N N 15 120.3914585 0.0118811795 . 1 . . . . . 389 ASN N . 53110 1 240 . 1 . 1 63 63 PRO C C 13 177.231004 . . 1 . . . . . 390 PRO C . 53110 1 241 . 1 . 1 63 63 PRO CA C 13 63.73011554 . . 1 . . . . . 390 PRO CA . 53110 1 242 . 1 . 1 64 64 LEU H H 1 8.207622448 0.0030724992 . 1 . . . . . 391 LEU H . 53110 1 243 . 1 . 1 64 64 LEU C C 13 177.2536467 . . 1 . . . . . 391 LEU C . 53110 1 244 . 1 . 1 64 64 LEU CA C 13 55.39036646 0.0120168398 . 1 . . . . . 391 LEU CA . 53110 1 245 . 1 . 1 64 64 LEU N N 15 119.793124 0.0293268527 . 1 . . . . . 391 LEU N . 53110 1 246 . 1 . 1 65 65 ASP H H 1 8.026289949 0.0004866815 . 1 . . . . . 392 ASP H . 53110 1 247 . 1 . 1 65 65 ASP C C 13 176.2215499 . . 1 . . . . . 392 ASP C . 53110 1 248 . 1 . 1 65 65 ASP CA C 13 54.06319867 . . 1 . . . . . 392 ASP CA . 53110 1 249 . 1 . 1 65 65 ASP CB C 13 41.07495951 . . 1 . . . . . 392 ASP CB . 53110 1 250 . 1 . 1 65 65 ASP N N 15 119.8832409 0.0351225327 . 1 . . . . . 392 ASP N . 53110 1 251 . 1 . 1 66 66 TYR H H 1 8.088206706 0.0029293941 . 1 . . . . . 393 TYR H . 53110 1 252 . 1 . 1 66 66 TYR C C 13 176.7939709 . . 1 . . . . . 393 TYR C . 53110 1 253 . 1 . 1 66 66 TYR CA C 13 58.90597226 0.0030092467 . 1 . . . . . 393 TYR CA . 53110 1 254 . 1 . 1 66 66 TYR CB C 13 38.43374411 . . 1 . . . . . 393 TYR CB . 53110 1 255 . 1 . 1 66 66 TYR N N 15 121.1519737 0.0028595803 . 1 . . . . . 393 TYR N . 53110 1 256 . 1 . 1 67 67 GLY H H 1 8.454338592 0.0024483776 . 1 . . . . . 394 GLY H . 53110 1 257 . 1 . 1 67 67 GLY C C 13 174.9491629 . . 1 . . . . . 394 GLY C . 53110 1 258 . 1 . 1 67 67 GLY CA C 13 45.76800524 0.0023951595 . 1 . . . . . 394 GLY CA . 53110 1 259 . 1 . 1 67 67 GLY N N 15 109.491147 0.008737122 . 1 . . . . . 394 GLY N . 53110 1 260 . 1 . 1 68 68 SER H H 1 8.218114999 0.0021378148 . 1 . . . . . 395 SER H . 53110 1 261 . 1 . 1 68 68 SER C C 13 175.5559419 . . 1 . . . . . 395 SER C . 53110 1 262 . 1 . 1 68 68 SER CA C 13 59.50601557 . . 1 . . . . . 395 SER CA . 53110 1 263 . 1 . 1 68 68 SER N N 15 116.1204483 0.0190701892 . 1 . . . . . 395 SER N . 53110 1 264 . 1 . 1 69 69 ALA H H 1 8.531110875 0.005375434824 . 1 . . . . . 396 ALA H . 53110 1 265 . 1 . 1 69 69 ALA C C 13 179.1837941 0.0152628718 . 1 . . . . . 396 ALA C . 53110 1 266 . 1 . 1 69 69 ALA CA C 13 54.04112069 0.0019874897 . 1 . . . . . 396 ALA CA . 53110 1 267 . 1 . 1 69 69 ALA N N 15 125.9072004 0.03677578842 . 1 . . . . . 396 ALA N . 53110 1 268 . 1 . 1 70 70 TRP H H 1 8.192917561 0.0036140466 . 1 . . . . . 397 TRP H . 53110 1 269 . 1 . 1 70 70 TRP C C 13 177.2856638 0 . 1 . . . . . 397 TRP C . 53110 1 270 . 1 . 1 70 70 TRP CA C 13 59.00861634 0.0386174929 . 1 . . . . . 397 TRP CA . 53110 1 271 . 1 . 1 70 70 TRP N N 15 119.9684809 0.0143943879 . 1 . . . . . 397 TRP N . 53110 1 272 . 1 . 1 71 71 ALA H H 1 7.952484681 0.0014812554 . 1 . . . . . 398 ALA H . 53110 1 273 . 1 . 1 71 71 ALA C C 13 178.9315167 . . 1 . . . . . 398 ALA C . 53110 1 274 . 1 . 1 71 71 ALA CA C 13 53.77468123 . . 1 . . . . . 398 ALA CA . 53110 1 275 . 1 . 1 71 71 ALA N N 15 123.7145263 0.0287022436 . 1 . . . . . 398 ALA N . 53110 1 276 . 1 . 1 72 72 ALA H H 1 8.003691401 0.0028855982 . 1 . . . . . 399 ALA H . 53110 1 277 . 1 . 1 72 72 ALA C C 13 178.9964704 . . 1 . . . . . 399 ALA C . 53110 1 278 . 1 . 1 72 72 ALA CA C 13 53.73797488 . . 1 . . . . . 399 ALA CA . 53110 1 279 . 1 . 1 72 72 ALA CB C 13 18.38924747 . . 1 . . . . . 399 ALA CB . 53110 1 280 . 1 . 1 72 72 ALA N N 15 121.8861374 0.0113592805 . 1 . . . . . 399 ALA N . 53110 1 281 . 1 . 1 73 73 ALA H H 1 7.966892498 0.000425964 . 1 . . . . . 400 ALA H . 53110 1 282 . 1 . 1 73 73 ALA C C 13 179.1050134 . . 1 . . . . . 400 ALA C . 53110 1 283 . 1 . 1 73 73 ALA CA C 13 53.71911042 . . 1 . . . . . 400 ALA CA . 53110 1 284 . 1 . 1 73 73 ALA N N 15 121.8474883 0.0128885276 . 1 . . . . . 400 ALA N . 53110 1 285 . 1 . 1 74 74 ALA H H 1 8.117053113 0.0008364406 . 1 . . . . . 401 ALA H . 53110 1 286 . 1 . 1 74 74 ALA C C 13 178.836796 . . 1 . . . . . 401 ALA C . 53110 1 287 . 1 . 1 74 74 ALA CA C 13 53.57786766 . . 1 . . . . . 401 ALA CA . 53110 1 288 . 1 . 1 74 74 ALA N N 15 122.1176693 0.0009410161 . 1 . . . . . 401 ALA N . 53110 1 289 . 1 . 1 75 75 ALA H H 1 7.969208038 0.0034254655 . 1 . . . . . 402 ALA H . 53110 1 290 . 1 . 1 75 75 ALA C C 13 178.5979075 0.0021648147 . 1 . . . . . 402 ALA C . 53110 1 291 . 1 . 1 75 75 ALA CA C 13 53.5815637 0.0171550745 . 1 . . . . . 402 ALA CA . 53110 1 292 . 1 . 1 75 75 ALA CB C 13 18.49091404 . . 1 . . . . . 402 ALA CB . 53110 1 293 . 1 . 1 75 75 ALA N N 15 121.4600098 0.0165665907 . 1 . . . . . 402 ALA N . 53110 1 294 . 1 . 1 76 76 GLN H H 1 8.049038778 0.0034044851 . 1 . . . . . 403 GLN H . 53110 1 295 . 1 . 1 76 76 GLN C C 13 176.8233053 0.0064326935 . 1 . . . . . 403 GLN C . 53110 1 296 . 1 . 1 76 76 GLN CA C 13 56.58237411 0.0051408986 . 1 . . . . . 403 GLN CA . 53110 1 297 . 1 . 1 76 76 GLN CB C 13 29.44040948 . . 1 . . . . . 403 GLN CB . 53110 1 298 . 1 . 1 76 76 GLN N N 15 117.8649904 0.018281493 . 1 . . . . . 403 GLN N . 53110 1 299 . 1 . 1 77 77 SER H H 1 8.160950774 0.0034186937 . 1 . . . . . 404 SER H . 53110 1 300 . 1 . 1 77 77 SER C C 13 174.8564522 . . 1 . . . . . 404 SER C . 53110 1 301 . 1 . 1 77 77 SER CA C 13 59.03523878 0.0007940334 . 1 . . . . . 404 SER CA . 53110 1 302 . 1 . 1 77 77 SER N N 15 115.8839791 0.0118914666 . 1 . . . . . 404 SER N . 53110 1 303 . 1 . 1 78 78 ARG H H 1 8.190100076 0.002300487 . 1 . . . . . 405 ARG H . 53110 1 304 . 1 . 1 78 78 ARG C C 13 176.4019114 . . 1 . . . . . 405 ARG C . 53110 1 305 . 1 . 1 78 78 ARG CA C 13 56.607685 . . 1 . . . . . 405 ARG CA . 53110 1 306 . 1 . 1 78 78 ARG N N 15 122.1083068 0.0100045859 . 1 . . . . . 405 ARG N . 53110 1 307 . 1 . 1 79 79 TYR H H 1 8.202662964 0.0021646758 . 1 . . . . . 406 TYR H . 53110 1 308 . 1 . 1 79 79 TYR C C 13 176.6377102 0.012168617 . 1 . . . . . 406 TYR C . 53110 1 309 . 1 . 1 79 79 TYR CA C 13 58.45130673 0.0298503195 . 1 . . . . . 406 TYR CA . 53110 1 310 . 1 . 1 79 79 TYR N N 15 119.6138118 0.0055598223 . 1 . . . . . 406 TYR N . 53110 1 311 . 1 . 1 80 80 GLY H H 1 8.254231473 0.0030162008 . 1 . . . . . 407 GLY H . 53110 1 312 . 1 . 1 80 80 GLY C C 13 174.0254193 . . 1 . . . . . 407 GLY C . 53110 1 313 . 1 . 1 80 80 GLY CA C 13 45.44785229 0.0285667014 . 1 . . . . . 407 GLY CA . 53110 1 314 . 1 . 1 80 80 GLY N N 15 109.831175 0.0288062073 . 1 . . . . . 407 GLY N . 53110 1 315 . 1 . 1 81 81 ASP H H 1 8.256379723 0.0024365248 . 1 . . . . . 408 ASP H . 53110 1 316 . 1 . 1 81 81 ASP C C 13 176.9041591 0.008436864706 . 1 . . . . . 408 ASP C . 53110 1 317 . 1 . 1 81 81 ASP CA C 13 54.5056994 0.0420819172 . 1 . . . . . 408 ASP CA . 53110 1 318 . 1 . 1 81 81 ASP CB C 13 41.03296059 . . 1 . . . . . 408 ASP CB . 53110 1 319 . 1 . 1 81 81 ASP N N 15 120.6344574 0.0269522454 . 1 . . . . . 408 ASP N . 53110 1 320 . 1 . 1 82 82 LEU H H 1 8.305066195 0.003955346786 . 1 . . . . . 409 LEU H . 53110 1 321 . 1 . 1 82 82 LEU C C 13 177.9220483 0.02394925837 . 1 . . . . . 409 LEU C . 53110 1 322 . 1 . 1 82 82 LEU CA C 13 56.03735633 0.0304804649 . 1 . . . . . 409 LEU CA . 53110 1 323 . 1 . 1 82 82 LEU CB C 13 42.34928561 . . 1 . . . . . 409 LEU CB . 53110 1 324 . 1 . 1 82 82 LEU N N 15 122.6153734 0.001894170056 . 1 . . . . . 409 LEU N . 53110 1 325 . 1 . 1 83 83 ALA H H 1 8.300956901 0.00249772772 . 1 . . . . . 410 ALA H . 53110 1 326 . 1 . 1 83 83 ALA C C 13 178.6416286 0.0007003607 . 1 . . . . . 410 ALA C . 53110 1 327 . 1 . 1 83 83 ALA CA C 13 53.51279592 0.0451832287 . 1 . . . . . 410 ALA CA . 53110 1 328 . 1 . 1 83 83 ALA N N 15 123.1040318 0.0021911676 . 1 . . . . . 410 ALA N . 53110 1 329 . 1 . 1 84 84 SER H H 1 8.103378745 0.0021481974 . 1 . . . . . 411 SER H . 53110 1 330 . 1 . 1 84 84 SER C C 13 175.0604986 . . 1 . . . . . 411 SER C . 53110 1 331 . 1 . 1 84 84 SER CA C 13 58.91637736 0.0005021274 . 1 . . . . . 411 SER CA . 53110 1 332 . 1 . 1 84 84 SER CB C 13 63.51472933 0.0541735158 . 1 . . . . . 411 SER CB . 53110 1 333 . 1 . 1 84 84 SER N N 15 113.7891568 0.029340318 . 1 . . . . . 411 SER N . 53110 1 334 . 1 . 1 85 85 LEU H H 1 8.053143336 0.0020915765 . 1 . . . . . 412 LEU H . 53110 1 335 . 1 . 1 85 85 LEU C C 13 177.52112 0.0133375105 . 1 . . . . . 412 LEU C . 53110 1 336 . 1 . 1 85 85 LEU CA C 13 55.72398193 0.0280936032 . 1 . . . . . 412 LEU CA . 53110 1 337 . 1 . 1 85 85 LEU CB C 13 42.04457416 . . 1 . . . . . 412 LEU CB . 53110 1 338 . 1 . 1 85 85 LEU N N 15 123.2576465 0.0379672061 . 1 . . . . . 412 LEU N . 53110 1 339 . 1 . 1 86 86 HIS H H 1 8.210222001 0.0016726964 . 1 . . . . . 413 HIS H . 53110 1 340 . 1 . 1 86 86 HIS C C 13 176.0043489 0.0153851528 . 1 . . . . . 413 HIS C . 53110 1 341 . 1 . 1 86 86 HIS CA C 13 56.26278506 0.0532954989 . 1 . . . . . 413 HIS CA . 53110 1 342 . 1 . 1 86 86 HIS CB C 13 30.54312322 . . 1 . . . . . 413 HIS CB . 53110 1 343 . 1 . 1 86 86 HIS N N 15 118.6049599 0.0140969201 . 1 . . . . . 413 HIS N . 53110 1 344 . 1 . 1 87 87 GLY H H 1 8.319807985 0.0027561705 . 1 . . . . . 414 GLY H . 53110 1 345 . 1 . 1 87 87 GLY C C 13 174.0885124 0.0088908008 . 1 . . . . . 414 GLY C . 53110 1 346 . 1 . 1 87 87 GLY CA C 13 45.33530543 0.0121825823 . 1 . . . . . 414 GLY CA . 53110 1 347 . 1 . 1 87 87 GLY N N 15 109.7552594 0.0413373364 . 1 . . . . . 414 GLY N . 53110 1 348 . 1 . 1 88 88 ALA H H 1 8.330756703 0.0015458881 . 1 . . . . . 415 ALA H . 53110 1 349 . 1 . 1 88 88 ALA C C 13 178.4082834 0.0057999515 . 1 . . . . . 415 ALA C . 53110 1 350 . 1 . 1 88 88 ALA CA C 13 52.7940962 0.0150933232 . 1 . . . . . 415 ALA CA . 53110 1 351 . 1 . 1 88 88 ALA CB C 13 19.13502405 . . 1 . . . . . 415 ALA CB . 53110 1 352 . 1 . 1 88 88 ALA N N 15 123.8604554 0.0134269067 . 1 . . . . . 415 ALA N . 53110 1 353 . 1 . 1 89 89 GLY H H 1 8.485334506 0.0010375889 . 1 . . . . . 416 GLY H . 53110 1 354 . 1 . 1 89 89 GLY C C 13 174.0221571 0.0076907 . 1 . . . . . 416 GLY C . 53110 1 355 . 1 . 1 89 89 GLY CA C 13 45.19893591 0.0005250064 . 1 . . . . . 416 GLY CA . 53110 1 356 . 1 . 1 89 89 GLY N N 15 108.2336741 0.0320728965 . 1 . . . . . 416 GLY N . 53110 1 357 . 1 . 1 90 90 ALA H H 1 8.182557824 0.0014879082 . 1 . . . . . 417 ALA H . 53110 1 358 . 1 . 1 90 90 ALA C C 13 177.463585 0.0094178618 . 1 . . . . . 417 ALA C . 53110 1 359 . 1 . 1 90 90 ALA CA C 13 52.5361512 . . 1 . . . . . 417 ALA CA . 53110 1 360 . 1 . 1 90 90 ALA CB C 13 19.39066779 . . 1 . . . . . 417 ALA CB . 53110 1 361 . 1 . 1 90 90 ALA N N 15 123.7793036 0.0273693 . 1 . . . . . 417 ALA N . 53110 1 362 . 1 . 1 91 91 ALA H H 1 8.369225987 0.0016868396 . 1 . . . . . 418 ALA H . 53110 1 363 . 1 . 1 91 91 ALA C C 13 177.8507619 0.0141238923 . 1 . . . . . 418 ALA C . 53110 1 364 . 1 . 1 91 91 ALA CA C 13 52.33150456 0.0454579834 . 1 . . . . . 418 ALA CA . 53110 1 365 . 1 . 1 91 91 ALA CB C 13 19.46172458 . . 1 . . . . . 418 ALA CB . 53110 1 366 . 1 . 1 91 91 ALA N N 15 123.029591 0.0138377725 . 1 . . . . . 418 ALA N . 53110 1 367 . 1 . 1 92 92 GLY H H 1 8.216207505 0.0009634318 . 1 . . . . . 419 GLY H . 53110 1 368 . 1 . 1 92 92 GLY C C 13 179.0047466 . . 1 . . . . . 419 GLY C . 53110 1 369 . 1 . 1 92 92 GLY CA C 13 44.50817665 . . 1 . . . . . 419 GLY CA . 53110 1 370 . 1 . 1 92 92 GLY N N 15 108.0712281 0.0226614315 . 1 . . . . . 419 GLY N . 53110 1 371 . 1 . 1 93 93 PRO C C 13 177.8332683 0.0130655946 . 1 . . . . . 420 PRO C . 53110 1 372 . 1 . 1 93 93 PRO CA C 13 63.58957574 . . 1 . . . . . 420 PRO CA . 53110 1 373 . 1 . 1 94 94 GLY H H 1 8.693782392 0.0018751095 . 1 . . . . . 421 GLY H . 53110 1 374 . 1 . 1 94 94 GLY C C 13 174.4411143 0.0079043853 . 1 . . . . . 421 GLY C . 53110 1 375 . 1 . 1 94 94 GLY CA C 13 45.27743481 0.0128738052 . 1 . . . . . 421 GLY CA . 53110 1 376 . 1 . 1 94 94 GLY N N 15 110.1068881 0.0045188239 . 1 . . . . . 421 GLY N . 53110 1 377 . 1 . 1 95 95 SER H H 1 8.299305236 0.001933917 . 1 . . . . . 422 SER H . 53110 1 378 . 1 . 1 95 95 SER C C 13 175.1237643 . . 1 . . . . . 422 SER C . 53110 1 379 . 1 . 1 95 95 SER CA C 13 58.72615124 0.020342597 . 1 . . . . . 422 SER CA . 53110 1 380 . 1 . 1 95 95 SER CB C 13 63.98742598 . . 1 . . . . . 422 SER CB . 53110 1 381 . 1 . 1 95 95 SER N N 15 115.6134406 0.0186168726 . 1 . . . . . 422 SER N . 53110 1 382 . 1 . 1 96 96 GLY H H 1 8.589191379 0.0009275014 . 1 . . . . . 423 GLY H . 53110 1 383 . 1 . 1 96 96 GLY C C 13 173.8036917 0.0101350864 . 1 . . . . . 423 GLY C . 53110 1 384 . 1 . 1 96 96 GLY CA C 13 45.04054728 0.0080713095 . 1 . . . . . 423 GLY CA . 53110 1 385 . 1 . 1 96 96 GLY N N 15 110.8825495 0.0268413918 . 1 . . . . . 423 GLY N . 53110 1 386 . 1 . 1 97 97 SER H H 1 8.269911387 0.0015114792 . 1 . . . . . 424 SER H . 53110 1 387 . 1 . 1 97 97 SER C C 13 172.9622447 . . 1 . . . . . 424 SER C . 53110 1 388 . 1 . 1 97 97 SER CA C 13 56.45077199 . . 1 . . . . . 424 SER CA . 53110 1 389 . 1 . 1 97 97 SER CB C 13 63.42833453 . . 1 . . . . . 424 SER CB . 53110 1 390 . 1 . 1 97 97 SER N N 15 116.840516 0.0195353124 . 1 . . . . . 424 SER N . 53110 1 391 . 1 . 1 98 98 PRO C C 13 177.165858 . . 1 . . . . . 425 PRO C . 53110 1 392 . 1 . 1 98 98 PRO CA C 13 63.53950955 . . 1 . . . . . 425 PRO CA . 53110 1 393 . 1 . 1 99 99 SER H H 1 8.440306438 0.0023645393 . 1 . . . . . 426 SER H . 53110 1 394 . 1 . 1 99 99 SER C C 13 174.5734234 . . 1 . . . . . 426 SER C . 53110 1 395 . 1 . 1 99 99 SER CA C 13 58.39686014 0.0096603804 . 1 . . . . . 426 SER CA . 53110 1 396 . 1 . 1 99 99 SER CB C 13 63.91989253 . . 1 . . . . . 426 SER CB . 53110 1 397 . 1 . 1 99 99 SER N N 15 115.8849058 0.0117597799 . 1 . . . . . 426 SER N . 53110 1 398 . 1 . 1 100 100 ALA H H 1 8.405907517 0.0012005233 . 1 . . . . . 427 ALA H . 53110 1 399 . 1 . 1 100 100 ALA C C 13 177.7809716 0.01755975583 . 1 . . . . . 427 ALA C . 53110 1 400 . 1 . 1 100 100 ALA CA C 13 52.73009853 . . 1 . . . . . 427 ALA CA . 53110 1 401 . 1 . 1 100 100 ALA CB C 13 19.12022409 . . 1 . . . . . 427 ALA CB . 53110 1 402 . 1 . 1 100 100 ALA N N 15 126.3400601 0.0164014735 . 1 . . . . . 427 ALA N . 53110 1 403 . 1 . 1 101 101 ALA H H 1 8.289580713 0.00483071187 . 1 . . . . . 428 ALA H . 53110 1 404 . 1 . 1 101 101 ALA C C 13 177.7924958 0.001716728207 . 1 . . . . . 428 ALA C . 53110 1 405 . 1 . 1 101 101 ALA CA C 13 52.72979196 0.02936770837 . 1 . . . . . 428 ALA CA . 53110 1 406 . 1 . 1 101 101 ALA CB C 13 18.99744386 . . 1 . . . . . 428 ALA CB . 53110 1 407 . 1 . 1 101 101 ALA N N 15 122.9412804 0.03426364198 . 1 . . . . . 428 ALA N . 53110 1 408 . 1 . 1 102 102 ALA H H 1 8.294240435 0.005290780935 . 1 . . . . . 429 ALA H . 53110 1 409 . 1 . 1 102 102 ALA C C 13 178.1291163 . . 1 . . . . . 429 ALA C . 53110 1 410 . 1 . 1 102 102 ALA CA C 13 52.90232378 . . 1 . . . . . 429 ALA CA . 53110 1 411 . 1 . 1 102 102 ALA CB C 13 18.97917032 . . 1 . . . . . 429 ALA CB . 53110 1 412 . 1 . 1 102 102 ALA N N 15 123.0354471 0.07500443615 . 1 . . . . . 429 ALA N . 53110 1 413 . 1 . 1 103 103 SER H H 1 8.274372813 0.004131713 . 1 . . . . . 430 SER H . 53110 1 414 . 1 . 1 103 103 SER C C 13 174.8659375 . . 1 . . . . . 430 SER C . 53110 1 415 . 1 . 1 103 103 SER CA C 13 58.53199177 . . 1 . . . . . 430 SER CA . 53110 1 416 . 1 . 1 103 103 SER CB C 13 63.60904974 . . 1 . . . . . 430 SER CB . 53110 1 417 . 1 . 1 103 103 SER N N 15 114.6598819 0.0367626403 . 1 . . . . . 430 SER N . 53110 1 418 . 1 . 1 104 104 SER H H 1 8.369092093 0.0032574059 . 1 . . . . . 431 SER H . 53110 1 419 . 1 . 1 104 104 SER C C 13 174.7310941 . . 1 . . . . . 431 SER C . 53110 1 420 . 1 . 1 104 104 SER CA C 13 58.70571682 . . 1 . . . . . 431 SER CA . 53110 1 421 . 1 . 1 104 104 SER CB C 13 63.62750053 0 . 1 . . . . . 431 SER CB . 53110 1 422 . 1 . 1 104 104 SER N N 15 117.6945411 0.0258320692 . 1 . . . . . 431 SER N . 53110 1 423 . 1 . 1 105 105 SER H H 1 8.34823969 0.0044582067 . 1 . . . . . 432 SER H . 53110 1 424 . 1 . 1 105 105 SER C C 13 174.5128154 . . 1 . . . . . 432 SER C . 53110 1 425 . 1 . 1 105 105 SER CA C 13 58.68301907 0.0429500469 . 1 . . . . . 432 SER CA . 53110 1 426 . 1 . 1 105 105 SER N N 15 117.4911036 0.0146346576 . 1 . . . . . 432 SER N . 53110 1 427 . 1 . 1 106 106 TRP H H 1 8.099494934 0.0041637576 . 1 . . . . . 433 TRP H . 53110 1 428 . 1 . 1 106 106 TRP C C 13 176.1251758 0.016134049 . 1 . . . . . 433 TRP C . 53110 1 429 . 1 . 1 106 106 TRP CA C 13 57.9407495 0.0329388423 . 1 . . . . . 433 TRP CA . 53110 1 430 . 1 . 1 106 106 TRP N N 15 122.6359666 0.0203576828 . 1 . . . . . 433 TRP N . 53110 1 431 . 1 . 1 107 107 HIS H H 1 7.941145028 0.004353118 . 1 . . . . . 434 HIS H . 53110 1 432 . 1 . 1 107 107 HIS C C 13 175.4106496 . . 1 . . . . . 434 HIS C . 53110 1 433 . 1 . 1 107 107 HIS CA C 13 56.66842136 0.0136572579 . 1 . . . . . 434 HIS CA . 53110 1 434 . 1 . 1 107 107 HIS N N 15 119.5989315 0.0365733359 . 1 . . . . . 434 HIS N . 53110 1 435 . 1 . 1 108 108 THR H H 1 7.965393883 0.0024467072 . 1 . . . . . 435 THR H . 53110 1 436 . 1 . 1 108 108 THR C C 13 174.3406909 . . 1 . . . . . 435 THR C . 53110 1 437 . 1 . 1 108 108 THR CA C 13 62.37899965 0.0208497636 . 1 . . . . . 435 THR CA . 53110 1 438 . 1 . 1 108 108 THR N N 15 114.8432704 0.0028938807 . 1 . . . . . 435 THR N . 53110 1 439 . 1 . 1 109 109 LEU H H 1 8.177823214 0.0026277848 . 1 . . . . . 436 LEU H . 53110 1 440 . 1 . 1 109 109 LEU C C 13 176.9579169 . . 1 . . . . . 436 LEU C . 53110 1 441 . 1 . 1 109 109 LEU CA C 13 55.5230939 0.030710551 . 1 . . . . . 436 LEU CA . 53110 1 442 . 1 . 1 109 109 LEU N N 15 123.8449004 0.0138114298 . 1 . . . . . 436 LEU N . 53110 1 443 . 1 . 1 110 110 PHE H H 1 8.219407015 0.0061279465 . 1 . . . . . 437 PHE H . 53110 1 444 . 1 . 1 110 110 PHE C C 13 175.8326452 . . 1 . . . . . 437 PHE C . 53110 1 445 . 1 . 1 110 110 PHE CA C 13 57.79286636 0.0585145084 . 1 . . . . . 437 PHE CA . 53110 1 446 . 1 . 1 110 110 PHE N N 15 120.6521036 0.0576139492 . 1 . . . . . 437 PHE N . 53110 1 447 . 1 . 1 111 111 THR H H 1 8.177045186 0.0036876489 . 1 . . . . . 438 THR H . 53110 1 448 . 1 . 1 111 111 THR C C 13 174.1010443 . . 1 . . . . . 438 THR C . 53110 1 449 . 1 . 1 111 111 THR CA C 13 61.56752754 0.0250407688 . 1 . . . . . 438 THR CA . 53110 1 450 . 1 . 1 111 111 THR N N 15 115.8470345 0.0209329466 . 1 . . . . . 438 THR N . 53110 1 451 . 1 . 1 112 112 ALA H H 1 8.438985994 0.0027519103 . 1 . . . . . 439 ALA H . 53110 1 452 . 1 . 1 112 112 ALA C C 13 178.0758832 0.0093390914 . 1 . . . . . 439 ALA C . 53110 1 453 . 1 . 1 112 112 ALA CA C 13 52.88823377 0.0127071999 . 1 . . . . . 439 ALA CA . 53110 1 454 . 1 . 1 112 112 ALA CB C 13 19.22271712 . . 1 . . . . . 439 ALA CB . 53110 1 455 . 1 . 1 112 112 ALA N N 15 126.2067818 0.0112490295 . 1 . . . . . 439 ALA N . 53110 1 456 . 1 . 1 113 113 GLU H H 1 8.491169955 0.0024182403 . 1 . . . . . 440 GLU H . 53110 1 457 . 1 . 1 113 113 GLU C C 13 177.0161957 0.0064314368 . 1 . . . . . 440 GLU C . 53110 1 458 . 1 . 1 113 113 GLU CA C 13 57.02471409 . . 1 . . . . . 440 GLU CA . 53110 1 459 . 1 . 1 113 113 GLU CB C 13 30.19958192 . . 1 . . . . . 440 GLU CB . 53110 1 460 . 1 . 1 113 113 GLU N N 15 119.9397573 0.0141075587 . 1 . . . . . 440 GLU N . 53110 1 461 . 1 . 1 114 114 GLU H H 1 8.478077608 0.0023043092 . 1 . . . . . 441 GLU H . 53110 1 462 . 1 . 1 114 114 GLU C C 13 177.3335391 0.0084871133 . 1 . . . . . 441 GLU C . 53110 1 463 . 1 . 1 114 114 GLU CA C 13 57.33380968 0.0296449492 . 1 . . . . . 441 GLU CA . 53110 1 464 . 1 . 1 114 114 GLU CB C 13 30.12861978 . . 1 . . . . . 441 GLU CB . 53110 1 465 . 1 . 1 114 114 GLU N N 15 121.8140136 0.0254851568 . 1 . . . . . 441 GLU N . 53110 1 466 . 1 . 1 115 115 GLY H H 1 8.517562981 0.0014900002 . 1 . . . . . 442 GLY H . 53110 1 467 . 1 . 1 115 115 GLY C C 13 174.2557343 0.0141036016 . 1 . . . . . 442 GLY C . 53110 1 468 . 1 . 1 115 115 GLY CA C 13 45.53447889 0.0077803606 . 1 . . . . . 442 GLY CA . 53110 1 469 . 1 . 1 115 115 GLY N N 15 109.5959948 0.0054972797 . 1 . . . . . 442 GLY N . 53110 1 470 . 1 . 1 116 116 GLN H H 1 8.110893468 0.0020725021 . 1 . . . . . 443 GLN H . 53110 1 471 . 1 . 1 116 116 GLN C C 13 175.8844398 0.0173919377 . 1 . . . . . 443 GLN C . 53110 1 472 . 1 . 1 116 116 GLN CA C 13 55.77276836 0.0155823447 . 1 . . . . . 443 GLN CA . 53110 1 473 . 1 . 1 116 116 GLN CB C 13 29.28130695 . . 1 . . . . . 443 GLN CB . 53110 1 474 . 1 . 1 116 116 GLN N N 15 119.4679291 0.0158320379 . 1 . . . . . 443 GLN N . 53110 1 475 . 1 . 1 117 117 LEU H H 1 8.231239173 0.0019857489 . 1 . . . . . 444 LEU H . 53110 1 476 . 1 . 1 117 117 LEU C C 13 177.0241453 0.0095952587 . 1 . . . . . 444 LEU C . 53110 1 477 . 1 . 1 117 117 LEU CA C 13 55.43140121 0.0117479845 . 1 . . . . . 444 LEU CA . 53110 1 478 . 1 . 1 117 117 LEU N N 15 122.8514249 0.0349747184 . 1 . . . . . 444 LEU N . 53110 1 479 . 1 . 1 118 118 TYR H H 1 8.242113001 0.0030732685 . 1 . . . . . 445 TYR H . 53110 1 480 . 1 . 1 118 118 TYR C C 13 175.9707581 0.0174174685 . 1 . . . . . 445 TYR C . 53110 1 481 . 1 . 1 118 118 TYR CA C 13 57.44567026 0.0379585355 . 1 . . . . . 445 TYR CA . 53110 1 482 . 1 . 1 118 118 TYR CB C 13 39.05075479 . . 1 . . . . . 445 TYR CB . 53110 1 483 . 1 . 1 118 118 TYR N N 15 119.4772974 0.0162400679 . 1 . . . . . 445 TYR N . 53110 1 484 . 1 . 1 119 119 GLY H H 1 8.166176658 0.0024977783 . 1 . . . . . 446 GLY H . 53110 1 485 . 1 . 1 119 119 GLY C C 13 178.7612263 . . 1 . . . . . 446 GLY C . 53110 1 486 . 1 . 1 119 119 GLY CA C 13 44.6173222 . . 1 . . . . . 446 GLY CA . 53110 1 487 . 1 . 1 119 119 GLY N N 15 109.720793 0.0244040806 . 1 . . . . . 446 GLY N . 53110 1 488 . 1 . 1 120 120 PRO C C 13 177.5711659 0.0077376094 . 1 . . . . . 447 PRO C . 53110 1 489 . 1 . 1 120 120 PRO CA C 13 63.29181007 . . 1 . . . . . 447 PRO CA . 53110 1 490 . 1 . 1 120 120 PRO CB C 13 31.94797658 . . 1 . . . . . 447 PRO CB . 53110 1 491 . 1 . 1 121 121 SER H H 1 8.633309658 0.0021276223 . 1 . . . . . 448 SER H . 53110 1 492 . 1 . 1 121 121 SER C C 13 175.3239915 . . 1 . . . . . 448 SER C . 53110 1 493 . 1 . 1 121 121 SER CA C 13 58.60154177 0.0545610848 . 1 . . . . . 448 SER CA . 53110 1 494 . 1 . 1 121 121 SER CB C 13 63.94152996 . . 1 . . . . . 448 SER CB . 53110 1 495 . 1 . 1 121 121 SER N N 15 116.0911167 0.026346861 . 1 . . . . . 448 SER N . 53110 1 496 . 1 . 1 122 122 GLY H H 1 8.495519641 0.0026019919 . 1 . . . . . 449 GLY H . 53110 1 497 . 1 . 1 122 122 GLY C C 13 174.7042845 0.0138697774 . 1 . . . . . 449 GLY C . 53110 1 498 . 1 . 1 122 122 GLY CA C 13 45.35619363 0.0446058194 . 1 . . . . . 449 GLY CA . 53110 1 499 . 1 . 1 122 122 GLY N N 15 110.8894118 0.0224751528 . 1 . . . . . 449 GLY N . 53110 1 500 . 1 . 1 123 123 GLY H H 1 8.371194503 0.0011638321 . 1 . . . . . 450 GLY H . 53110 1 501 . 1 . 1 123 123 GLY C C 13 174.7674531 0.0286907707 . 1 . . . . . 450 GLY C . 53110 1 502 . 1 . 1 123 123 GLY CA C 13 45.30138643 . . 1 . . . . . 450 GLY CA . 53110 1 503 . 1 . 1 123 123 GLY N N 15 108.6221911 0.0100231862 . 1 . . . . . 450 GLY N . 53110 1 504 . 1 . 1 124 124 GLY H H 1 8.472727059 0.0339009399 . 1 . . . . . 451 GLY H . 53110 1 505 . 1 . 1 124 124 GLY C C 13 174.8213985 . . 1 . . . . . 451 GLY C . 53110 1 506 . 1 . 1 124 124 GLY CA C 13 45.22788392 . . 1 . . . . . 451 GLY CA . 53110 1 507 . 1 . 1 124 124 GLY N N 15 108.9221486 0.0102230383 . 1 . . . . . 451 GLY N . 53110 1 508 . 1 . 1 125 125 GLY H H 1 8.413431031 0.0008928345 . 1 . . . . . 452 GLY H . 53110 1 509 . 1 . 1 125 125 GLY C C 13 174.3415769 0.002406396 . 1 . . . . . 452 GLY C . 53110 1 510 . 1 . 1 125 125 GLY CA C 13 45.10001595 0.0133354584 . 1 . . . . . 452 GLY CA . 53110 1 511 . 1 . 1 125 125 GLY N N 15 108.9270792 0.0102329192 . 1 . . . . . 452 GLY N . 53110 1 512 . 1 . 1 126 126 GLU H H 1 8.551941364 0.0023424686 . 1 . . . . . 453 GLU H . 53110 1 513 . 1 . 1 126 126 GLU C C 13 176.7026397 0.0058337448 . 1 . . . . . 453 GLU C . 53110 1 514 . 1 . 1 126 126 GLU CA C 13 56.65892309 0.0188410019 . 1 . . . . . 453 GLU CA . 53110 1 515 . 1 . 1 126 126 GLU CB C 13 30.10065089 . . 1 . . . . . 453 GLU CB . 53110 1 516 . 1 . 1 126 126 GLU N N 15 121.0156406 0.0315422676 . 1 . . . . . 453 GLU N . 53110 1 517 . 1 . 1 127 127 ALA H H 1 8.561707905 0.0013343372 . 1 . . . . . 454 ALA H . 53110 1 518 . 1 . 1 127 127 ALA C C 13 178.41298 0.0056190892 . 1 . . . . . 454 ALA C . 53110 1 519 . 1 . 1 127 127 ALA CA C 13 52.95841814 0.0020224373 . 1 . . . . . 454 ALA CA . 53110 1 520 . 1 . 1 127 127 ALA CB C 13 18.91031954 . . 1 . . . . . 454 ALA CB . 53110 1 521 . 1 . 1 127 127 ALA N N 15 125.2067004 0.0156717744 . 1 . . . . . 454 ALA N . 53110 1 522 . 1 . 1 128 128 GLY H H 1 8.409001228 0.0017149001 . 1 . . . . . 455 GLY H . 53110 1 523 . 1 . 1 128 128 GLY C C 13 173.7506089 0.0093337134 . 1 . . . . . 455 GLY C . 53110 1 524 . 1 . 1 128 128 GLY CA C 13 45.11788104 0.004999699 . 1 . . . . . 455 GLY CA . 53110 1 525 . 1 . 1 128 128 GLY N N 15 108.2197836 0.0210446816 . 1 . . . . . 455 GLY N . 53110 1 526 . 1 . 1 129 129 ALA H H 1 8.085582565 0.0013522738 . 1 . . . . . 456 ALA H . 53110 1 527 . 1 . 1 129 129 ALA C C 13 177.6392902 0.0055548155 . 1 . . . . . 456 ALA C . 53110 1 528 . 1 . 1 129 129 ALA CA C 13 52.35314246 0.0026073976 . 1 . . . . . 456 ALA CA . 53110 1 529 . 1 . 1 129 129 ALA CB C 13 19.48783833 0.0508023581 . 1 . . . . . 456 ALA CB . 53110 1 530 . 1 . 1 129 129 ALA N N 15 123.5773424 0.0133549165 . 1 . . . . . 456 ALA N . 53110 1 531 . 1 . 1 130 130 VAL H H 1 8.211227724 0.0024141984 . 1 . . . . . 457 VAL H . 53110 1 532 . 1 . 1 130 130 VAL C C 13 175.5533816 0.0025027743 . 1 . . . . . 457 VAL C . 53110 1 533 . 1 . 1 130 130 VAL CA C 13 61.8234212 0.0044434951 . 1 . . . . . 457 VAL CA . 53110 1 534 . 1 . 1 130 130 VAL CB C 13 33.21525914 . . 1 . . . . . 457 VAL CB . 53110 1 535 . 1 . 1 130 130 VAL N N 15 119.6136953 0.0327268484 . 1 . . . . . 457 VAL N . 53110 1 536 . 1 . 1 131 131 ALA H H 1 8.456979182 0.0020442997 . 1 . . . . . 458 ALA H . 53110 1 537 . 1 . 1 131 131 ALA C C 13 175.3513365 . . 1 . . . . . 458 ALA C . 53110 1 538 . 1 . 1 131 131 ALA CA C 13 50.3283394 . . 1 . . . . . 458 ALA CA . 53110 1 539 . 1 . 1 131 131 ALA CB C 13 18.25514879 . . 1 . . . . . 458 ALA CB . 53110 1 540 . 1 . 1 131 131 ALA N N 15 129.381005 0.0156149977 . 1 . . . . . 458 ALA N . 53110 1 541 . 1 . 1 132 132 PRO C C 13 176.5062707 . . 1 . . . . . 459 PRO C . 53110 1 542 . 1 . 1 132 132 PRO CA C 13 63.07820892 . . 1 . . . . . 459 PRO CA . 53110 1 543 . 1 . 1 133 133 TYR H H 1 8.280395003 0.0020799858 . 1 . . . . . 460 TYR H . 53110 1 544 . 1 . 1 133 133 TYR C C 13 176.4566517 0.0065205563 . 1 . . . . . 460 TYR C . 53110 1 545 . 1 . 1 133 133 TYR CA C 13 58.18213354 0.0212764586 . 1 . . . . . 460 TYR CA . 53110 1 546 . 1 . 1 133 133 TYR N N 15 120.1050775 0.0399672739 . 1 . . . . . 460 TYR N . 53110 1 547 . 1 . 1 134 134 GLY H H 1 8.260750513 0.0046377784 . 1 . . . . . 461 GLY H . 53110 1 548 . 1 . 1 134 134 GLY C C 13 173.4520745 . . 1 . . . . . 461 GLY C . 53110 1 549 . 1 . 1 134 134 GLY CA C 13 45.10215715 0.0449466853 . 1 . . . . . 461 GLY CA . 53110 1 550 . 1 . 1 134 134 GLY N N 15 111.1907404 0.0212097392 . 1 . . . . . 461 GLY N . 53110 1 551 . 1 . 1 135 135 TYR H H 1 7.980407429 0.0030014929 . 1 . . . . . 462 TYR H . 53110 1 552 . 1 . 1 135 135 TYR C C 13 175.6358091 0.0099324482 . 1 . . . . . 462 TYR C . 53110 1 553 . 1 . 1 135 135 TYR CA C 13 57.98029815 0.03226873 . 1 . . . . . 462 TYR CA . 53110 1 554 . 1 . 1 135 135 TYR N N 15 120.2166843 0.0121358103 . 1 . . . . . 462 TYR N . 53110 1 555 . 1 . 1 136 136 THR H H 1 8.118573965 0.0011941345 . 1 . . . . . 463 THR H . 53110 1 556 . 1 . 1 136 136 THR C C 13 173.3015985 . . 1 . . . . . 463 THR C . 53110 1 557 . 1 . 1 136 136 THR CA C 13 61.45290369 0.0402154801 . 1 . . . . . 463 THR CA . 53110 1 558 . 1 . 1 136 136 THR N N 15 117.9985991 0.0225023886 . 1 . . . . . 463 THR N . 53110 1 559 . 1 . 1 137 137 ARG H H 1 8.40766576 0.0018273961 . 1 . . . . . 464 ARG H . 53110 1 560 . 1 . 1 137 137 ARG C C 13 173.6296827 . . 1 . . . . . 464 ARG C . 53110 1 561 . 1 . 1 137 137 ARG CA C 13 54.01345809 . . 1 . . . . . 464 ARG CA . 53110 1 562 . 1 . 1 137 137 ARG CB C 13 29.89080674 . . 1 . . . . . 464 ARG CB . 53110 1 563 . 1 . 1 137 137 ARG N N 15 125.3337143 0.0351948208 . 1 . . . . . 464 ARG N . 53110 1 564 . 1 . 1 139 139 PRO C C 13 176.8426855 0.0083926428 . 1 . . . . . 466 PRO C . 53110 1 565 . 1 . 1 139 139 PRO CA C 13 63.05972795 . . 1 . . . . . 466 PRO CA . 53110 1 566 . 1 . 1 139 139 PRO CB C 13 31.75064015 . . 1 . . . . . 466 PRO CB . 53110 1 567 . 1 . 1 140 140 GLN H H 1 8.610509088 0.0018229104 . 1 . . . . . 467 GLN H . 53110 1 568 . 1 . 1 140 140 GLN C C 13 176.4488045 0.0189303114 . 1 . . . . . 467 GLN C . 53110 1 569 . 1 . 1 140 140 GLN CA C 13 55.86743056 0.0075820732 . 1 . . . . . 467 GLN CA . 53110 1 570 . 1 . 1 140 140 GLN CB C 13 29.90144523 . . 1 . . . . . 467 GLN CB . 53110 1 571 . 1 . 1 140 140 GLN N N 15 120.5335741 0.0197364904 . 1 . . . . . 467 GLN N . 53110 1 572 . 1 . 1 141 141 GLY H H 1 8.522843368 0.0010172358 . 1 . . . . . 468 GLY H . 53110 1 573 . 1 . 1 141 141 GLY C C 13 173.9764188 0.0056951028 . 1 . . . . . 468 GLY C . 53110 1 574 . 1 . 1 141 141 GLY CA C 13 45.166977 0.0049799954 . 1 . . . . . 468 GLY CA . 53110 1 575 . 1 . 1 141 141 GLY N N 15 110.329628 0.0084144271 . 1 . . . . . 468 GLY N . 53110 1 576 . 1 . 1 142 142 LEU H H 1 8.263490959 0.002128233 . 1 . . . . . 469 LEU H . 53110 1 577 . 1 . 1 142 142 LEU C C 13 177.3543426 0.0111590543 . 1 . . . . . 469 LEU C . 53110 1 578 . 1 . 1 142 142 LEU CA C 13 54.9751282 0.0036774813 . 1 . . . . . 469 LEU CA . 53110 1 579 . 1 . 1 142 142 LEU CB C 13 42.59114642 0.0706839092 . 1 . . . . . 469 LEU CB . 53110 1 580 . 1 . 1 142 142 LEU N N 15 121.8403887 0.0128842899 . 1 . . . . . 469 LEU N . 53110 1 581 . 1 . 1 143 143 ALA H H 1 8.491031368 0.0011325866 . 1 . . . . . 470 ALA H . 53110 1 582 . 1 . 1 143 143 ALA C C 13 178.3719946 0.012037841 . 1 . . . . . 470 ALA C . 53110 1 583 . 1 . 1 143 143 ALA CA C 13 52.78045303 0.038589281 . 1 . . . . . 470 ALA CA . 53110 1 584 . 1 . 1 143 143 ALA CB C 13 18.96866741 . . 1 . . . . . 470 ALA CB . 53110 1 585 . 1 . 1 143 143 ALA N N 15 124.8937266 0.025454381 . 1 . . . . . 470 ALA N . 53110 1 586 . 1 . 1 144 144 GLY H H 1 8.567914658 0.0017182862 . 1 . . . . . 471 GLY H . 53110 1 587 . 1 . 1 144 144 GLY C C 13 174.2834851 0.007287426 . 1 . . . . . 471 GLY C . 53110 1 588 . 1 . 1 144 144 GLY CA C 13 45.29644052 0.0236413347 . 1 . . . . . 471 GLY CA . 53110 1 589 . 1 . 1 144 144 GLY N N 15 108.9358265 0.0107521926 . 1 . . . . . 471 GLY N . 53110 1 590 . 1 . 1 145 145 GLN H H 1 8.278730227 0.0018567375 . 1 . . . . . 472 GLN H . 53110 1 591 . 1 . 1 145 145 GLN C C 13 176.2282609 0.0136146606 . 1 . . . . . 472 GLN C . 53110 1 592 . 1 . 1 145 145 GLN CA C 13 55.61596894 0.0308979027 . 1 . . . . . 472 GLN CA . 53110 1 593 . 1 . 1 145 145 GLN CB C 13 29.59096383 . . 1 . . . . . 472 GLN CB . 53110 1 594 . 1 . 1 145 145 GLN N N 15 119.6312973 0.0063088238 . 1 . . . . . 472 GLN N . 53110 1 595 . 1 . 1 146 146 GLU H H 1 8.795050395 0.0014462977 . 1 . . . . . 473 GLU H . 53110 1 596 . 1 . 1 146 146 GLU C C 13 176.8110788 0.00592682 . 1 . . . . . 473 GLU C . 53110 1 597 . 1 . 1 146 146 GLU CA C 13 57.19463056 0.009682308 . 1 . . . . . 473 GLU CA . 53110 1 598 . 1 . 1 146 146 GLU CB C 13 29.80886294 . . 1 . . . . . 473 GLU CB . 53110 1 599 . 1 . 1 146 146 GLU N N 15 122.3342839 0.0099203646 . 1 . . . . . 473 GLU N . 53110 1 600 . 1 . 1 147 147 SER H H 1 8.417460621 0.0004830146 . 1 . . . . . 474 SER H . 53110 1 601 . 1 . 1 147 147 SER C C 13 174.0605519 0.0100175321 . 1 . . . . . 474 SER C . 53110 1 602 . 1 . 1 147 147 SER CA C 13 58.53045585 0.0362638276 . 1 . . . . . 474 SER CA . 53110 1 603 . 1 . 1 147 147 SER CB C 13 63.95140864 0.0277510328 . 1 . . . . . 474 SER CB . 53110 1 604 . 1 . 1 147 147 SER N N 15 116.0985158 0.0164594761 . 1 . . . . . 474 SER N . 53110 1 605 . 1 . 1 148 148 ASP H H 1 8.357597354 0.0022311969 . 1 . . . . . 475 ASP H . 53110 1 606 . 1 . 1 148 148 ASP C C 13 175.9357246 0.019129051 . 1 . . . . . 475 ASP C . 53110 1 607 . 1 . 1 148 148 ASP CA C 13 54.35360421 0.0003835941 . 1 . . . . . 475 ASP CA . 53110 1 608 . 1 . 1 148 148 ASP CB C 13 40.9169235 0.005500515 . 1 . . . . . 475 ASP CB . 53110 1 609 . 1 . 1 148 148 ASP N N 15 122.0909377 0.0085609143 . 1 . . . . . 475 ASP N . 53110 1 610 . 1 . 1 149 149 PHE H H 1 8.232781784 0.0019391582 . 1 . . . . . 476 PHE H . 53110 1 611 . 1 . 1 149 149 PHE C C 13 175.6589028 0.0137557084 . 1 . . . . . 476 PHE C . 53110 1 612 . 1 . 1 149 149 PHE CA C 13 57.91575373 0.0175028716 . 1 . . . . . 476 PHE CA . 53110 1 613 . 1 . 1 149 149 PHE CB C 13 39.5273522 . . 1 . . . . . 476 PHE CB . 53110 1 614 . 1 . 1 149 149 PHE N N 15 120.6763604 0.0142605821 . 1 . . . . . 476 PHE N . 53110 1 615 . 1 . 1 150 150 THR H H 1 8.111578785 0.0021407291 . 1 . . . . . 477 THR H . 53110 1 616 . 1 . 1 150 150 THR C C 13 173.4456616 0.0110682 . 1 . . . . . 477 THR C . 53110 1 617 . 1 . 1 150 150 THR CA C 13 61.65875613 0.0543006602 . 1 . . . . . 477 THR CA . 53110 1 618 . 1 . 1 150 150 THR CB C 13 70.03339146 . . 1 . . . . . 477 THR CB . 53110 1 619 . 1 . 1 150 150 THR N N 15 116.9726677 0.0221290035 . 1 . . . . . 477 THR N . 53110 1 620 . 1 . 1 151 151 ALA H H 1 8.351065609 0.0013268229 . 1 . . . . . 478 ALA H . 53110 1 621 . 1 . 1 151 151 ALA C C 13 175.4332945 . . 1 . . . . . 478 ALA C . 53110 1 622 . 1 . 1 151 151 ALA CA C 13 50.6038587 . . 1 . . . . . 478 ALA CA . 53110 1 623 . 1 . 1 151 151 ALA CB C 13 18.18447481 . . 1 . . . . . 478 ALA CB . 53110 1 624 . 1 . 1 151 151 ALA N N 15 128.4050124 0.0156976268 . 1 . . . . . 478 ALA N . 53110 1 625 . 1 . 1 152 152 PRO C C 13 176.4755995 0.0113824246 . 1 . . . . . 479 PRO C . 53110 1 626 . 1 . 1 152 152 PRO CA C 13 63.05823115 . . 1 . . . . . 479 PRO CA . 53110 1 627 . 1 . 1 153 153 ASP H H 1 8.464846562 0.0018738428 . 1 . . . . . 480 ASP H . 53110 1 628 . 1 . 1 153 153 ASP C C 13 176.0452762 0.027654673 . 1 . . . . . 480 ASP C . 53110 1 629 . 1 . 1 153 153 ASP CA C 13 54.50004717 0.0526965614 . 1 . . . . . 480 ASP CA . 53110 1 630 . 1 . 1 153 153 ASP CB C 13 41.21009397 . . 1 . . . . . 480 ASP CB . 53110 1 631 . 1 . 1 153 153 ASP N N 15 119.9074645 0.015657527 . 1 . . . . . 480 ASP N . 53110 1 632 . 1 . 1 154 154 VAL H H 1 7.969194413 0.0040542273 . 1 . . . . . 481 VAL H . 53110 1 633 . 1 . 1 154 154 VAL C C 13 175.1111909 0.0157007369 . 1 . . . . . 481 VAL C . 53110 1 634 . 1 . 1 154 154 VAL CA C 13 62.200732 0.0476544896 . 1 . . . . . 481 VAL CA . 53110 1 635 . 1 . 1 154 154 VAL CB C 13 33.65104172 . . 1 . . . . . 481 VAL CB . 53110 1 636 . 1 . 1 154 154 VAL N N 15 119.5335749 0.0228533454 . 1 . . . . . 481 VAL N . 53110 1 637 . 1 . 1 155 155 TRP H H 1 8.275098244 0.0008312366 . 1 . . . . . 482 TRP H . 53110 1 638 . 1 . 1 155 155 TRP C C 13 174.9125947 . . 1 . . . . . 482 TRP C . 53110 1 639 . 1 . 1 155 155 TRP CA C 13 57.40238719 0.0100253727 . 1 . . . . . 482 TRP CA . 53110 1 640 . 1 . 1 155 155 TRP N N 15 124.8583341 0.0368093623 . 1 . . . . . 482 TRP N . 53110 1 641 . 1 . 1 156 156 TYR H H 1 7.835800369 0.0019474517 . 1 . . . . . 483 TYR H . 53110 1 642 . 1 . 1 156 156 TYR CA C 13 55.33484768 . . 1 . . . . . 483 TYR CA . 53110 1 643 . 1 . 1 156 156 TYR N N 15 123.4172808 0.0234590207 . 1 . . . . . 483 TYR N . 53110 1 644 . 1 . 1 157 157 PRO C C 13 177.5398117 0 . 1 . . . . . 484 PRO C . 53110 1 645 . 1 . 1 158 158 GLY H H 1 8.285736208 0.0023289026 . 1 . . . . . 485 GLY H . 53110 1 646 . 1 . 1 158 158 GLY C C 13 174.7621625 . . 1 . . . . . 485 GLY C . 53110 1 647 . 1 . 1 158 158 GLY CA C 13 45.22793265 . . 1 . . . . . 485 GLY CA . 53110 1 648 . 1 . 1 158 158 GLY N N 15 109.3733776 0.0000033 . 1 . . . . . 485 GLY N . 53110 1 649 . 1 . 1 159 159 GLY H H 1 8.201638436 0.0010109584 . 1 . . . . . 486 GLY H . 53110 1 650 . 1 . 1 159 159 GLY C C 13 173.8771997 0.003889039 . 1 . . . . . 486 GLY C . 53110 1 651 . 1 . 1 159 159 GLY CA C 13 45.24792633 0.0208290058 . 1 . . . . . 486 GLY CA . 53110 1 652 . 1 . 1 159 159 GLY N N 15 108.5064128 0.0264439391 . 1 . . . . . 486 GLY N . 53110 1 653 . 1 . 1 160 160 MET H H 1 8.275998872 0.0007113209 . 1 . . . . . 487 MET H . 53110 1 654 . 1 . 1 160 160 MET C C 13 176.1405609 . . 1 . . . . . 487 MET C . 53110 1 655 . 1 . 1 160 160 MET CB C 13 33.01153545 . . 1 . . . . . 487 MET CB . 53110 1 656 . 1 . 1 160 160 MET N N 15 119.6577834 0.0443739031 . 1 . . . . . 487 MET N . 53110 1 657 . 1 . 1 161 161 VAL H H 1 8.252507189 0.0029759164 . 1 . . . . . 488 VAL H . 53110 1 658 . 1 . 1 161 161 VAL C C 13 175.9669836 . . 1 . . . . . 488 VAL C . 53110 1 659 . 1 . 1 161 161 VAL CA C 13 62.2883117 0.0193508923 . 1 . . . . . 488 VAL CA . 53110 1 660 . 1 . 1 161 161 VAL N N 15 121.4175245 0.0061774324 . 1 . . . . . 488 VAL N . 53110 1 661 . 1 . 1 162 162 SER H H 1 8.42933408 0.0037235307 . 1 . . . . . 489 SER H . 53110 1 662 . 1 . 1 162 162 SER C C 13 174.2662698 . . 1 . . . . . 489 SER C . 53110 1 663 . 1 . 1 162 162 SER CA C 13 58.12681214 0.0009911163 . 1 . . . . . 489 SER CA . 53110 1 664 . 1 . 1 162 162 SER N N 15 119.5419234 0.0180842436 . 1 . . . . . 489 SER N . 53110 1 665 . 1 . 1 163 163 ARG H H 1 8.480790326 0.001232308 . 1 . . . . . 490 ARG H . 53110 1 666 . 1 . 1 163 163 ARG C C 13 175.9331109 0 . 1 . . . . . 490 ARG C . 53110 1 667 . 1 . 1 163 163 ARG CA C 13 56.02343557 0.0252893508 . 1 . . . . . 490 ARG CA . 53110 1 668 . 1 . 1 163 163 ARG N N 15 123.5427576 0.0191506672 . 1 . . . . . 490 ARG N . 53110 1 669 . 1 . 1 164 164 VAL H H 1 8.213933099 0.0025158615 . 1 . . . . . 491 VAL H . 53110 1 670 . 1 . 1 164 164 VAL CA C 13 59.67810169 . . 1 . . . . . 491 VAL CA . 53110 1 671 . 1 . 1 164 164 VAL N N 15 122.4230841 0.0000033 . 1 . . . . . 491 VAL N . 53110 1 672 . 1 . 1 165 165 PRO C C 13 176.1293081 . . 1 . . . . . 492 PRO C . 53110 1 673 . 1 . 1 165 165 PRO CA C 13 63.11857263 . . 1 . . . . . 492 PRO CA . 53110 1 674 . 1 . 1 166 166 TYR H H 1 8.182005777 0.0022826966 . 1 . . . . . 493 TYR H . 53110 1 675 . 1 . 1 166 166 TYR C C 13 173.993235 . . 1 . . . . . 493 TYR C . 53110 1 676 . 1 . 1 166 166 TYR CA C 13 55.75141558 . . 1 . . . . . 493 TYR CA . 53110 1 677 . 1 . 1 166 166 TYR N N 15 121.5624651 0.0412659188 . 1 . . . . . 493 TYR N . 53110 1 678 . 1 . 1 167 167 PRO C C 13 176.3598016 . . 1 . . . . . 494 PRO C . 53110 1 679 . 1 . 1 167 167 PRO CA C 13 62.97759533 . . 1 . . . . . 494 PRO CA . 53110 1 680 . 1 . 1 168 168 SER H H 1 8.477349986 0.0021354229 . 1 . . . . . 495 SER H . 53110 1 681 . 1 . 1 168 168 SER CA C 13 56.43218139 . . 1 . . . . . 495 SER CA . 53110 1 682 . 1 . 1 168 168 SER CB C 13 63.63472997 . . 1 . . . . . 495 SER CB . 53110 1 683 . 1 . 1 168 168 SER N N 15 117.87398 0.0596861063 . 1 . . . . . 495 SER N . 53110 1 684 . 1 . 1 169 169 PRO C C 13 177.2437677 . . 1 . . . . . 496 PRO C . 53110 1 685 . 1 . 1 169 169 PRO CA C 13 63.7658635 . . 1 . . . . . 496 PRO CA . 53110 1 686 . 1 . 1 170 170 THR H H 1 8.244538779 0.0031108606 . 1 . . . . . 497 THR H . 53110 1 687 . 1 . 1 170 170 THR C C 13 174.5921281 0.0263312771 . 1 . . . . . 497 THR C . 53110 1 688 . 1 . 1 170 170 THR CA C 13 61.77367878 0.0466178276 . 1 . . . . . 497 THR CA . 53110 1 689 . 1 . 1 170 170 THR N N 15 113.0138523 0.0103158942 . 1 . . . . . 497 THR N . 53110 1 690 . 1 . 1 171 171 SER H H 1 8.278964741 0.0013600098 . 1 . . . . . 498 SER H . 53110 1 691 . 1 . 1 171 171 SER C C 13 174.3662086 . . 1 . . . . . 498 SER C . 53110 1 692 . 1 . 1 171 171 SER CA C 13 58.4139434 0.009196361 . 1 . . . . . 498 SER CA . 53110 1 693 . 1 . 1 171 171 SER N N 15 118.3197802 0.0163522376 . 1 . . . . . 498 SER N . 53110 1 694 . 1 . 1 172 172 VAL H H 1 8.255707504 0.0029106184 . 1 . . . . . 499 VAL H . 53110 1 695 . 1 . 1 172 172 VAL C C 13 176.1541831 0.0176217919 . 1 . . . . . 499 VAL C . 53110 1 696 . 1 . 1 172 172 VAL CA C 13 62.35994125 0.000872489 . 1 . . . . . 499 VAL CA . 53110 1 697 . 1 . 1 172 172 VAL CB C 13 32.8425622 . . 1 . . . . . 499 VAL CB . 53110 1 698 . 1 . 1 172 172 VAL N N 15 122.1951319 0.0475774427 . 1 . . . . . 499 VAL N . 53110 1 699 . 1 . 1 173 173 LYS H H 1 8.507465973 0.00186197 . 1 . . . . . 500 LYS H . 53110 1 700 . 1 . 1 173 173 LYS C C 13 176.6250613 0.0116319878 . 1 . . . . . 500 LYS C . 53110 1 701 . 1 . 1 173 173 LYS CA C 13 56.41917541 0.0205471291 . 1 . . . . . 500 LYS CA . 53110 1 702 . 1 . 1 173 173 LYS CB C 13 32.79889568 . . 1 . . . . . 500 LYS CB . 53110 1 703 . 1 . 1 173 173 LYS N N 15 125.6893647 0.023028275 . 1 . . . . . 500 LYS N . 53110 1 704 . 1 . 1 174 174 SER H H 1 8.456887485 0.0007895289 . 1 . . . . . 501 SER H . 53110 1 705 . 1 . 1 174 174 SER C C 13 174.6376434 . . 1 . . . . . 501 SER C . 53110 1 706 . 1 . 1 174 174 SER CA C 13 58.52630178 0.0648579921 . 1 . . . . . 501 SER CA . 53110 1 707 . 1 . 1 174 174 SER CB C 13 63.57970923 0 . 1 . . . . . 501 SER CB . 53110 1 708 . 1 . 1 174 174 SER N N 15 117.6668955 0.002282935 . 1 . . . . . 501 SER N . 53110 1 709 . 1 . 1 175 175 GLU H H 1 8.625314168 0.0016294578 . 1 . . . . . 502 GLU H . 53110 1 710 . 1 . 1 175 175 GLU C C 13 176.397288 0.0102514194 . 1 . . . . . 502 GLU C . 53110 1 711 . 1 . 1 175 175 GLU CA C 13 56.63036059 0.0216037705 . 1 . . . . . 502 GLU CA . 53110 1 712 . 1 . 1 175 175 GLU CB C 13 30.11722268 . . 1 . . . . . 502 GLU CB . 53110 1 713 . 1 . 1 175 175 GLU N N 15 123.0405555 0.0180322881 . 1 . . . . . 502 GLU N . 53110 1 714 . 1 . 1 176 176 MET H H 1 8.441712802 0.0012516395 . 1 . . . . . 503 MET H . 53110 1 715 . 1 . 1 176 176 MET C C 13 176.2159998 0.0111911379 . 1 . . . . . 503 MET C . 53110 1 716 . 1 . 1 176 176 MET CA C 13 55.34456426 0.0328719307 . 1 . . . . . 503 MET CA . 53110 1 717 . 1 . 1 176 176 MET CB C 13 33.24868013 . . 1 . . . . . 503 MET CB . 53110 1 718 . 1 . 1 176 176 MET N N 15 120.4908513 0.0172695127 . 1 . . . . . 503 MET N . 53110 1 719 . 1 . 1 177 177 GLY H H 1 8.004363803 0.0016807612 . 1 . . . . . 504 GLY H . 53110 1 720 . 1 . 1 177 177 GLY CA C 13 44.71067236 . . 1 . . . . . 504 GLY CA . 53110 1 721 . 1 . 1 177 177 GLY N N 15 109.645094 0.0137389726 . 1 . . . . . 504 GLY N . 53110 1 722 . 1 . 1 178 178 PRO C C 13 176.7253246 . . 1 . . . . . 505 PRO C . 53110 1 723 . 1 . 1 178 178 PRO CA C 13 63.38851308 . . 1 . . . . . 505 PRO CA . 53110 1 724 . 1 . 1 179 179 TRP H H 1 8.008014367 0.0008766888 . 1 . . . . . 506 TRP H . 53110 1 725 . 1 . 1 179 179 TRP C C 13 176.361928 . . 1 . . . . . 506 TRP C . 53110 1 726 . 1 . 1 179 179 TRP CA C 13 57.78481696 0.0203568427 . 1 . . . . . 506 TRP CA . 53110 1 727 . 1 . 1 179 179 TRP N N 15 120.1948112 0.0004915005 . 1 . . . . . 506 TRP N . 53110 1 728 . 1 . 1 180 180 MET H H 1 7.852914357 0.0028444418 . 1 . . . . . 507 MET H . 53110 1 729 . 1 . 1 180 180 MET C C 13 175.7479015 . . 1 . . . . . 507 MET C . 53110 1 730 . 1 . 1 180 180 MET CA C 13 55.38468105 . . 1 . . . . . 507 MET CA . 53110 1 731 . 1 . 1 180 180 MET N N 15 121.8786353 0.0166241535 . 1 . . . . . 507 MET N . 53110 1 732 . 1 . 1 181 181 ASP H H 1 8.224097787 0.0044241682 . 1 . . . . . 508 ASP H . 53110 1 733 . 1 . 1 181 181 ASP C C 13 176.3686131 . . 1 . . . . . 508 ASP C . 53110 1 734 . 1 . 1 181 181 ASP CA C 13 54.81470236 0.0181679239 . 1 . . . . . 508 ASP CA . 53110 1 735 . 1 . 1 181 181 ASP N N 15 121.1296096 0.0000038 . 1 . . . . . 508 ASP N . 53110 1 736 . 1 . 1 182 182 SER H H 1 8.159880019 0.0043415097 . 1 . . . . . 509 SER H . 53110 1 737 . 1 . 1 182 182 SER C C 13 174.1968659 . . 1 . . . . . 509 SER C . 53110 1 738 . 1 . 1 182 182 SER CA C 13 58.51321318 0.020825089 . 1 . . . . . 509 SER CA . 53110 1 739 . 1 . 1 182 182 SER N N 15 115.0357249 0.010370258 . 1 . . . . . 509 SER N . 53110 1 740 . 1 . 1 183 183 TYR H H 1 8.256764472 0.0031958058 . 1 . . . . . 510 TYR H . 53110 1 741 . 1 . 1 183 183 TYR C C 13 175.7964549 . . 1 . . . . . 510 TYR C . 53110 1 742 . 1 . 1 183 183 TYR CA C 13 58.31085385 0.0114695728 . 1 . . . . . 510 TYR CA . 53110 1 743 . 1 . 1 183 183 TYR N N 15 122.4592519 0.0004899102 . 1 . . . . . 510 TYR N . 53110 1 744 . 1 . 1 184 184 SER H H 1 8.277331539 0.0015633968 . 1 . . . . . 511 SER H . 53110 1 745 . 1 . 1 184 184 SER C C 13 174.1605217 . . 1 . . . . . 511 SER C . 53110 1 746 . 1 . 1 184 184 SER CA C 13 58.00942565 0.0661233532 . 1 . . . . . 511 SER CA . 53110 1 747 . 1 . 1 184 184 SER N N 15 118.3374534 0.0023364752 . 1 . . . . . 511 SER N . 53110 1 748 . 1 . 1 185 185 GLY H H 1 7.43067427 0.002952127 . 1 . . . . . 512 GLY H . 53110 1 749 . 1 . 1 185 185 GLY CA C 13 44.8037335 . . 1 . . . . . 512 GLY CA . 53110 1 750 . 1 . 1 185 185 GLY N N 15 109.988902 0.0170716511 . 1 . . . . . 512 GLY N . 53110 1 751 . 1 . 1 186 186 PRO C C 13 177.1008136 . . 1 . . . . . 513 PRO C . 53110 1 752 . 1 . 1 186 186 PRO CA C 13 63.69858163 . . 1 . . . . . 513 PRO CA . 53110 1 753 . 1 . 1 187 187 TYR H H 1 8.379832763 0.0020145411 . 1 . . . . . 514 TYR H . 53110 1 754 . 1 . 1 187 187 TYR C C 13 176.4539596 0.0145635793 . 1 . . . . . 514 TYR C . 53110 1 755 . 1 . 1 187 187 TYR CA C 13 57.85625333 0.0621225691 . 1 . . . . . 514 TYR CA . 53110 1 756 . 1 . 1 187 187 TYR N N 15 119.4751743 0.0054666913 . 1 . . . . . 514 TYR N . 53110 1 757 . 1 . 1 188 188 GLY H H 1 8.117584435 0.0019443347 . 1 . . . . . 515 GLY H . 53110 1 758 . 1 . 1 188 188 GLY C C 13 173.7528353 . . 1 . . . . . 515 GLY C . 53110 1 759 . 1 . 1 188 188 GLY CA C 13 45.50816827 0.0172811197 . 1 . . . . . 515 GLY CA . 53110 1 760 . 1 . 1 188 188 GLY N N 15 109.7306102 0.0497618478 . 1 . . . . . 515 GLY N . 53110 1 761 . 1 . 1 189 189 ASP H H 1 8.276767236 0.000747629 . 1 . . . . . 516 ASP H . 53110 1 762 . 1 . 1 189 189 ASP C C 13 176.6110261 . . 1 . . . . . 516 ASP C . 53110 1 763 . 1 . 1 189 189 ASP CA C 13 54.256692 0.0529975099 . 1 . . . . . 516 ASP CA . 53110 1 764 . 1 . 1 189 189 ASP CB C 13 40.80121266 . . 1 . . . . . 516 ASP CB . 53110 1 765 . 1 . 1 189 189 ASP N N 15 120.3502983 0.0299598713 . 1 . . . . . 516 ASP N . 53110 1 766 . 1 . 1 190 190 MET H H 1 8.448901502 0.0059816557 . 1 . . . . . 517 MET H . 53110 1 767 . 1 . 1 190 190 MET C C 13 176.4612348 0.0061598857 . 1 . . . . . 517 MET C . 53110 1 768 . 1 . 1 190 190 MET CA C 13 55.86655249 0.0087925396 . 1 . . . . . 517 MET CA . 53110 1 769 . 1 . 1 190 190 MET CB C 13 30.1845731 . . 1 . . . . . 517 MET CB . 53110 1 770 . 1 . 1 190 190 MET N N 15 121.4349938 0.02262803 . 1 . . . . . 517 MET N . 53110 1 771 . 1 . 1 191 191 ARG H H 1 8.376008987 0.0014548353 . 1 . . . . . 518 ARG H . 53110 1 772 . 1 . 1 191 191 ARG C C 13 176.4843312 0.0130935241 . 1 . . . . . 518 ARG C . 53110 1 773 . 1 . 1 191 191 ARG CA C 13 56.46586734 0.0169516692 . 1 . . . . . 518 ARG CA . 53110 1 774 . 1 . 1 191 191 ARG N N 15 121.5338036 0.0327864779 . 1 . . . . . 518 ARG N . 53110 1 775 . 1 . 1 192 192 LEU H H 1 8.291997932 0.0123798419 . 1 . . . . . 519 LEU H . 53110 1 776 . 1 . 1 192 192 LEU C C 13 177.6799825 . . 1 . . . . . 519 LEU C . 53110 1 777 . 1 . 1 192 192 LEU CA C 13 55.27349731 0.0120395746 . 1 . . . . . 519 LEU CA . 53110 1 778 . 1 . 1 192 192 LEU CB C 13 41.89049683 . . 1 . . . . . 519 LEU CB . 53110 1 779 . 1 . 1 192 192 LEU N N 15 122.545966 0.0154320084 . 1 . . . . . 519 LEU N . 53110 1 780 . 1 . 1 193 193 GLU H H 1 8.556891012 0.0024083821 . 1 . . . . . 520 GLU H . 53110 1 781 . 1 . 1 193 193 GLU C C 13 176.8125788 0.0027806703 . 1 . . . . . 520 GLU C . 53110 1 782 . 1 . 1 193 193 GLU CA C 13 57.06207614 . . 1 . . . . . 520 GLU CA . 53110 1 783 . 1 . 1 193 193 GLU N N 15 121.6198651 0.0243281699 . 1 . . . . . 520 GLU N . 53110 1 784 . 1 . 1 194 194 THR H H 1 8.148430369 0.0015954448 . 1 . . . . . 521 THR H . 53110 1 785 . 1 . 1 194 194 THR C C 13 174.5075421 0.0081761658 . 1 . . . . . 521 THR C . 53110 1 786 . 1 . 1 194 194 THR CA C 13 62.05303901 0.0163350328 . 1 . . . . . 521 THR CA . 53110 1 787 . 1 . 1 194 194 THR N N 15 114.5897246 0.0073027648 . 1 . . . . . 521 THR N . 53110 1 788 . 1 . 1 195 195 ALA H H 1 8.349889471 0.0011499444 . 1 . . . . . 522 ALA H . 53110 1 789 . 1 . 1 195 195 ALA C C 13 177.859096 0.0187905753 . 1 . . . . . 522 ALA C . 53110 1 790 . 1 . 1 195 195 ALA CA C 13 52.847847 0.0049471486 . 1 . . . . . 522 ALA CA . 53110 1 791 . 1 . 1 195 195 ALA CB C 13 19.23414669 . . 1 . . . . . 522 ALA CB . 53110 1 792 . 1 . 1 195 195 ALA N N 15 126.3140545 0.0315421189 . 1 . . . . . 522 ALA N . 53110 1 793 . 1 . 1 196 196 ARG H H 1 8.316633229 0.0028715973 . 1 . . . . . 523 ARG H . 53110 1 794 . 1 . 1 196 196 ARG C C 13 176.1138096 0.0166831653 . 1 . . . . . 523 ARG C . 53110 1 795 . 1 . 1 196 196 ARG CA C 13 56.2724127 0.0204450588 . 1 . . . . . 523 ARG CA . 53110 1 796 . 1 . 1 196 196 ARG N N 15 120.0713498 0.0522947717 . 1 . . . . . 523 ARG N . 53110 1 797 . 1 . 1 197 197 ASP H H 1 8.319425393 0.0022497133 . 1 . . . . . 524 ASP H . 53110 1 798 . 1 . 1 197 197 ASP C C 13 175.8012219 0.0027297244 . 1 . . . . . 524 ASP C . 53110 1 799 . 1 . 1 197 197 ASP CA C 13 54.36561578 . . 1 . . . . . 524 ASP CA . 53110 1 800 . 1 . 1 197 197 ASP N N 15 120.2339806 0.0365865006 . 1 . . . . . 524 ASP N . 53110 1 801 . 1 . 1 198 198 HIS H H 1 8.222836818 0.0028663137 . 1 . . . . . 525 HIS H . 53110 1 802 . 1 . 1 198 198 HIS C C 13 174.7013831 0.0090033529 . 1 . . . . . 525 HIS C . 53110 1 803 . 1 . 1 198 198 HIS CA C 13 56.04416054 0.0229872783 . 1 . . . . . 525 HIS CA . 53110 1 804 . 1 . 1 198 198 HIS N N 15 119.2451624 0.0036613796 . 1 . . . . . 525 HIS N . 53110 1 805 . 1 . 1 199 199 VAL H H 1 8.149285215 0.0029788263 . 1 . . . . . 526 VAL H . 53110 1 806 . 1 . 1 199 199 VAL C C 13 175.8210731 0.0146906058 . 1 . . . . . 526 VAL C . 53110 1 807 . 1 . 1 199 199 VAL CA C 13 62.23215416 0.0110615912 . 1 . . . . . 526 VAL CA . 53110 1 808 . 1 . 1 199 199 VAL CB C 13 32.75036653 . . 1 . . . . . 526 VAL CB . 53110 1 809 . 1 . 1 199 199 VAL N N 15 121.9656669 0.0339132182 . 1 . . . . . 526 VAL N . 53110 1 810 . 1 . 1 200 200 LEU H H 1 8.456234151 0.0019639158 . 1 . . . . . 527 LEU H . 53110 1 811 . 1 . 1 200 200 LEU C C 13 174.9985582 . . 1 . . . . . 527 LEU C . 53110 1 812 . 1 . 1 200 200 LEU CA C 13 52.87499456 . . 1 . . . . . 527 LEU CA . 53110 1 813 . 1 . 1 200 200 LEU CB C 13 41.72636715 . . 1 . . . . . 527 LEU CB . 53110 1 814 . 1 . 1 200 200 LEU N N 15 127.7710871 0.0281213058 . 1 . . . . . 527 LEU N . 53110 1 815 . 1 . 1 201 201 PRO C C 13 177.1334469 . . 1 . . . . . 528 PRO C . 53110 1 816 . 1 . 1 201 201 PRO CA C 13 62.75752591 . . 1 . . . . . 528 PRO CA . 53110 1 817 . 1 . 1 202 202 ILE H H 1 8.31532243 0.0051192062 . 1 . . . . . 529 ILE H . 53110 1 818 . 1 . 1 202 202 ILE C C 13 175.8371286 0.0021787641 . 1 . . . . . 529 ILE C . 53110 1 819 . 1 . 1 202 202 ILE CA C 13 61.99240474 0.009028092 . 1 . . . . . 529 ILE CA . 53110 1 820 . 1 . 1 202 202 ILE CB C 13 41.09356367 . . 1 . . . . . 529 ILE CB . 53110 1 821 . 1 . 1 202 202 ILE N N 15 120.5805622 0.0516858341 . 1 . . . . . 529 ILE N . 53110 1 822 . 1 . 1 203 203 ASP H H 1 8.31473132 0.004045539 . 1 . . . . . 530 ASP H . 53110 1 823 . 1 . 1 203 203 ASP C C 13 175.8135846 0.0114584404 . 1 . . . . . 530 ASP C . 53110 1 824 . 1 . 1 203 203 ASP CA C 13 53.90657506 0.0629907601 . 1 . . . . . 530 ASP CA . 53110 1 825 . 1 . 1 203 203 ASP N N 15 122.0191817 0.0222138316 . 1 . . . . . 530 ASP N . 53110 1 826 . 1 . 1 204 204 TYR H H 1 7.958704812 0.0012854818 . 1 . . . . . 531 TYR H . 53110 1 827 . 1 . 1 204 204 TYR C C 13 175.14003 0.0121485271 . 1 . . . . . 531 TYR C . 53110 1 828 . 1 . 1 204 204 TYR CA C 13 58.85550576 . . 1 . . . . . 531 TYR CA . 53110 1 829 . 1 . 1 204 204 TYR N N 15 120.5964697 0.0333005895 . 1 . . . . . 531 TYR N . 53110 1 830 . 1 . 1 205 205 TYR H H 1 7.995117068 0.0023723188 . 1 . . . . . 532 TYR H . 53110 1 831 . 1 . 1 205 205 TYR C C 13 174.3123997 0.0064166077 . 1 . . . . . 532 TYR C . 53110 1 832 . 1 . 1 205 205 TYR CA C 13 57.84762656 0.0408545798 . 1 . . . . . 532 TYR CA . 53110 1 833 . 1 . 1 205 205 TYR N N 15 121.1088657 0.0213293604 . 1 . . . . . 532 TYR N . 53110 1 834 . 1 . 1 206 206 PHE H H 1 7.955745217 0.0021850399 . 1 . . . . . 533 PHE H . 53110 1 835 . 1 . 1 206 206 PHE C C 13 179.46841 . . 1 . . . . . 533 PHE C . 53110 1 836 . 1 . 1 206 206 PHE CA C 13 55.00596351 . . 1 . . . . . 533 PHE CA . 53110 1 837 . 1 . 1 206 206 PHE CB C 13 39.27944712 . . 1 . . . . . 533 PHE CB . 53110 1 838 . 1 . 1 206 206 PHE N N 15 123.8380207 0.0358575611 . 1 . . . . . 533 PHE N . 53110 1 839 . 1 . 1 208 208 PRO C C 13 176.958604 0.0017320227 . 1 . . . . . 535 PRO C . 53110 1 840 . 1 . 1 208 208 PRO CA C 13 62.79744748 . . 1 . . . . . 535 PRO CA . 53110 1 841 . 1 . 1 208 208 PRO CB C 13 32.22017319 . . 1 . . . . . 535 PRO CB . 53110 1 842 . 1 . 1 209 209 GLN H H 1 8.628836593 0.0023823189 . 1 . . . . . 536 GLN H . 53110 1 843 . 1 . 1 209 209 GLN C C 13 175.9161574 0.0065610439 . 1 . . . . . 536 GLN C . 53110 1 844 . 1 . 1 209 209 GLN CA C 13 55.56328762 0.0269724616 . 1 . . . . . 536 GLN CA . 53110 1 845 . 1 . 1 209 209 GLN CB C 13 29.74880712 0.0551580659 . 1 . . . . . 536 GLN CB . 53110 1 846 . 1 . 1 209 209 GLN N N 15 121.154904 0.0155531698 . 1 . . . . . 536 GLN N . 53110 1 847 . 1 . 1 210 210 LYS H H 1 8.590645216 0.0033428898 . 1 . . . . . 537 LYS H . 53110 1 848 . 1 . 1 210 210 LYS C C 13 175.9735628 0.0087264195 . 1 . . . . . 537 LYS C . 53110 1 849 . 1 . 1 210 210 LYS CA C 13 56.42391041 0.0178620934 . 1 . . . . . 537 LYS CA . 53110 1 850 . 1 . 1 210 210 LYS CB C 13 33.097254 . . 1 . . . . . 537 LYS CB . 53110 1 851 . 1 . 1 210 210 LYS N N 15 124.2520834 0.018927563 . 1 . . . . . 537 LYS N . 53110 1 852 . 1 . 1 211 211 THR H H 1 8.000082781 0.0008875013 . 1 . . . . . 538 THR H . 53110 1 853 . 1 . 1 211 211 THR C C 13 179.2827477 . . 1 . . . . . 538 THR C . 53110 1 854 . 1 . 1 211 211 THR CA C 13 63.28850024 . . 1 . . . . . 538 THR CA . 53110 1 855 . 1 . 1 211 211 THR CB C 13 70.69122154 . . 1 . . . . . 538 THR CB . 53110 1 856 . 1 . 1 211 211 THR N N 15 121.6339808 0.0150862369 . 1 . . . . . 538 THR N . 53110 1 stop_ save_