################################### # 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 53111 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'AR allTau-5 4G CtoS PP' _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' . . . 53111 1 2 '3D HNCO' . . . 53111 1 3 '3D HNCA' . . . 53111 1 4 '3D HN(CA)CO' . . . 53111 1 5 '3D HNCACB' . . . 53111 1 6 '3D HN(CO)CACB' . . . 53111 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 . . 53111 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 1 1 ALA H H 1 8.685854315 0.001612494664 . 1 . . . . . 330 ALA H . 53111 1 2 . 1 . 1 1 1 ALA C C 13 177.7546344 0.001462504884 . 1 . . . . . 330 ALA C . 53111 1 3 . 1 . 1 1 1 ALA CA C 13 52.37278695 0.01026260364 . 1 . . . . . 330 ALA CA . 53111 1 4 . 1 . 1 1 1 ALA CB C 13 19.0847847 . . 1 . . . . . 330 ALA CB . 53111 1 5 . 1 . 1 1 1 ALA N N 15 125.1755212 0.01110751105 . 1 . . . . . 330 ALA N . 53111 1 6 . 1 . 1 2 2 ALA H H 1 8.578219835 0.0008945354599 . 1 . . . . . 331 ALA H . 53111 1 7 . 1 . 1 2 2 ALA C C 13 178.4625551 . . 1 . . . . . 331 ALA C . 53111 1 8 . 1 . 1 2 2 ALA CA C 13 52.67516574 0.04211765859 . 1 . . . . . 331 ALA CA . 53111 1 9 . 1 . 1 2 2 ALA CB C 13 19.02976154 . . 1 . . . . . 331 ALA CB . 53111 1 10 . 1 . 1 2 2 ALA N N 15 124.2449644 0.02513254163 . 1 . . . . . 331 ALA N . 53111 1 11 . 1 . 1 4 4 SER H H 1 8.343128663 0.004491103106 . 1 . . . . . 333 SER H . 53111 1 12 . 1 . 1 4 4 SER C C 13 174.9310523 . . 1 . . . . . 333 SER C . 53111 1 13 . 1 . 1 4 4 SER CA C 13 58.47292039 . . 1 . . . . . 333 SER CA . 53111 1 14 . 1 . 1 4 4 SER CB C 13 63.92320467 . . 1 . . . . . 333 SER CB . 53111 1 15 . 1 . 1 4 4 SER N N 15 115.710943 0 . 1 . . . . . 333 SER N . 53111 1 16 . 1 . 1 5 5 SER H H 1 8.619887602 0.002778513074 . 1 . . . . . 334 SER H . 53111 1 17 . 1 . 1 5 5 SER C C 13 175.102683 . . 1 . . . . . 334 SER C . 53111 1 18 . 1 . 1 5 5 SER CA C 13 58.77361571 0.01887754585 . 1 . . . . . 334 SER CA . 53111 1 19 . 1 . 1 5 5 SER CB C 13 63.75156749 0.06019259562 . 1 . . . . . 334 SER CB . 53111 1 20 . 1 . 1 5 5 SER N N 15 117.9485615 0.02750588984 . 1 . . . . . 334 SER N . 53111 1 21 . 1 . 1 6 6 GLY H H 1 8.543249654 0.003026871553 . 1 . . . . . 335 GLY H . 53111 1 22 . 1 . 1 6 6 GLY C C 13 174.2190672 0.004154246044 . 1 . . . . . 335 GLY C . 53111 1 23 . 1 . 1 6 6 GLY CA C 13 45.30054846 0.01513533318 . 1 . . . . . 335 GLY CA . 53111 1 24 . 1 . 1 6 6 GLY N N 15 110.9925582 0.03299569755 . 1 . . . . . 335 GLY N . 53111 1 25 . 1 . 1 7 7 THR H H 1 8.165049382 0.001257375057 . 1 . . . . . 336 THR H . 53111 1 26 . 1 . 1 7 7 THR C C 13 174.4298961 0.01225328816 . 1 . . . . . 336 THR C . 53111 1 27 . 1 . 1 7 7 THR CA C 13 61.84893335 0.009340969498 . 1 . . . . . 336 THR CA . 53111 1 28 . 1 . 1 7 7 THR CB C 13 69.90948034 . . 1 . . . . . 336 THR CB . 53111 1 29 . 1 . 1 7 7 THR N N 15 114.3630005 0.01163950568 . 1 . . . . . 336 THR N . 53111 1 30 . 1 . 1 8 8 LEU H H 1 8.426080903 0.001691243504 . 1 . . . . . 337 LEU H . 53111 1 31 . 1 . 1 8 8 LEU C C 13 177.0901522 0.005612646159 . 1 . . . . . 337 LEU C . 53111 1 32 . 1 . 1 8 8 LEU CA C 13 55.18168528 0.0149314513 . 1 . . . . . 337 LEU CA . 53111 1 33 . 1 . 1 8 8 LEU CB C 13 42.32091002 0.006415842085 . 1 . . . . . 337 LEU CB . 53111 1 34 . 1 . 1 8 8 LEU N N 15 125.0446904 0.0147600894 . 1 . . . . . 337 LEU N . 53111 1 35 . 1 . 1 9 9 GLU H H 1 8.470358775 0.001626809193 . 1 . . . . . 338 GLU H . 53111 1 36 . 1 . 1 9 9 GLU C C 13 176.0313547 0.001119235038 . 1 . . . . . 338 GLU C . 53111 1 37 . 1 . 1 9 9 GLU CA C 13 56.1233421 0.02583783867 . 1 . . . . . 338 GLU CA . 53111 1 38 . 1 . 1 9 9 GLU CB C 13 30.32241633 0.01934424985 . 1 . . . . . 338 GLU CB . 53111 1 39 . 1 . 1 9 9 GLU N N 15 122.6205679 0.01441772376 . 1 . . . . . 338 GLU N . 53111 1 40 . 1 . 1 10 10 LEU H H 1 8.489496304 0.0009344975882 . 1 . . . . . 339 LEU H . 53111 1 41 . 1 . 1 10 10 LEU C C 13 175.2704178 . . 1 . . . . . 339 LEU C . 53111 1 42 . 1 . 1 10 10 LEU CA C 13 53.01746445 0.03373474587 . 1 . . . . . 339 LEU CA . 53111 1 43 . 1 . 1 10 10 LEU CB C 13 41.53357315 0.03350592398 . 1 . . . . . 339 LEU CB . 53111 1 44 . 1 . 1 10 10 LEU N N 15 125.4492219 0.06284048387 . 1 . . . . . 339 LEU N . 53111 1 45 . 1 . 1 11 11 PRO C C 13 177.1072259 . . 1 . . . . . 340 PRO C . 53111 1 46 . 1 . 1 11 11 PRO CA C 13 63.19698953 0.004755530041 . 1 . . . . . 340 PRO CA . 53111 1 47 . 1 . 1 11 11 PRO CB C 13 32.08591857 . . 1 . . . . . 340 PRO CB . 53111 1 48 . 1 . 1 12 12 SER H H 1 8.577922741 0.001456886873 . 1 . . . . . 341 SER H . 53111 1 49 . 1 . 1 12 12 SER C C 13 175.3769943 . . 1 . . . . . 341 SER C . 53111 1 50 . 1 . 1 12 12 SER CA C 13 58.39448709 0.01884599948 . 1 . . . . . 341 SER CA . 53111 1 51 . 1 . 1 12 12 SER CB C 13 63.72670807 0.01721016593 . 1 . . . . . 341 SER CB . 53111 1 52 . 1 . 1 12 12 SER N N 15 116.0898378 0.01560528264 . 1 . . . . . 341 SER N . 53111 1 53 . 1 . 1 13 13 THR H H 1 8.323690547 0.001721465045 . 1 . . . . . 342 THR H . 53111 1 54 . 1 . 1 13 13 THR C C 13 174.8157274 0.0009280912284 . 1 . . . . . 342 THR C . 53111 1 55 . 1 . 1 13 13 THR CA C 13 62.45704296 0.04194700297 . 1 . . . . . 342 THR CA . 53111 1 56 . 1 . 1 13 13 THR CB C 13 69.49611919 0.04448393909 . 1 . . . . . 342 THR CB . 53111 1 57 . 1 . 1 13 13 THR N N 15 116.4288721 0.02260100636 . 1 . . . . . 342 THR N . 53111 1 58 . 1 . 1 14 14 LEU H H 1 8.223596336 0.001370833618 . 1 . . . . . 343 LEU H . 53111 1 59 . 1 . 1 14 14 LEU C C 13 177.6066904 0.006504335705 . 1 . . . . . 343 LEU C . 53111 1 60 . 1 . 1 14 14 LEU CA C 13 55.64997678 0.04790739414 . 1 . . . . . 343 LEU CA . 53111 1 61 . 1 . 1 14 14 LEU CB C 13 42.21769792 0.05344988625 . 1 . . . . . 343 LEU CB . 53111 1 62 . 1 . 1 14 14 LEU N N 15 123.9491902 0.02037967263 . 1 . . . . . 343 LEU N . 53111 1 63 . 1 . 1 15 15 SER H H 1 8.349256293 0.001349266277 . 1 . . . . . 344 SER H . 53111 1 64 . 1 . 1 15 15 SER C C 13 174.6815322 0.006460394517 . 1 . . . . . 344 SER C . 53111 1 65 . 1 . 1 15 15 SER CA C 13 58.57617295 0.05405675989 . 1 . . . . . 344 SER CA . 53111 1 66 . 1 . 1 15 15 SER CB C 13 63.52143386 . . 1 . . . . . 344 SER CB . 53111 1 67 . 1 . 1 15 15 SER N N 15 116.6339874 0.01897938307 . 1 . . . . . 344 SER N . 53111 1 68 . 1 . 1 16 16 LEU H H 1 8.237122398 0.0020338024 . 1 . . . . . 345 LEU H . 53111 1 69 . 1 . 1 16 16 LEU C C 13 177.1991474 0.001260832468 . 1 . . . . . 345 LEU C . 53111 1 70 . 1 . 1 16 16 LEU CA C 13 55.47316061 0.0492569831 . 1 . . . . . 345 LEU CA . 53111 1 71 . 1 . 1 16 16 LEU CB C 13 42.22287292 0.02416659066 . 1 . . . . . 345 LEU CB . 53111 1 72 . 1 . 1 16 16 LEU N N 15 124.0640504 0.009548055615 . 1 . . . . . 345 LEU N . 53111 1 73 . 1 . 1 17 17 TYR H H 1 8.175554108 0.001252880865 . 1 . . . . . 346 TYR H . 53111 1 74 . 1 . 1 17 17 TYR C C 13 175.7779081 0.0005693235985 . 1 . . . . . 346 TYR C . 53111 1 75 . 1 . 1 17 17 TYR CA C 13 58.04835683 0.01907511971 . 1 . . . . . 346 TYR CA . 53111 1 76 . 1 . 1 17 17 TYR CB C 13 38.7193749 . . 1 . . . . . 346 TYR CB . 53111 1 77 . 1 . 1 17 17 TYR N N 15 120.5167346 0.01532610166 . 1 . . . . . 346 TYR N . 53111 1 78 . 1 . 1 18 18 LYS H H 1 8.235511015 0.001424581331 . 1 . . . . . 347 LYS H . 53111 1 79 . 1 . 1 18 18 LYS C C 13 176.1675193 0.0002851278878 . 1 . . . . . 347 LYS C . 53111 1 80 . 1 . 1 18 18 LYS CA C 13 56.01100895 0.009559928676 . 1 . . . . . 347 LYS CA . 53111 1 81 . 1 . 1 18 18 LYS CB C 13 33.18420716 0.0297994043 . 1 . . . . . 347 LYS CB . 53111 1 82 . 1 . 1 18 18 LYS N N 15 124.0045844 0.004913664186 . 1 . . . . . 347 LYS N . 53111 1 83 . 1 . 1 19 19 SER H H 1 8.446560729 0.0016787168 . 1 . . . . . 348 SER H . 53111 1 84 . 1 . 1 19 19 SER C C 13 175.2150021 . . 1 . . . . . 348 SER C . 53111 1 85 . 1 . 1 19 19 SER CA C 13 58.66784292 0.05442072229 . 1 . . . . . 348 SER CA . 53111 1 86 . 1 . 1 19 19 SER CB C 13 63.71070124 0.0314895692 . 1 . . . . . 348 SER CB . 53111 1 87 . 1 . 1 19 19 SER N N 15 117.4443646 0.02051448159 . 1 . . . . . 348 SER N . 53111 1 88 . 1 . 1 20 20 GLY H H 1 8.569674863 0.001857757129 . 1 . . . . . 349 GLY H . 53111 1 89 . 1 . 1 20 20 GLY C C 13 173.9800273 0.005606196025 . 1 . . . . . 349 GLY C . 53111 1 90 . 1 . 1 20 20 GLY CA C 13 45.25597515 0.01109561241 . 1 . . . . . 349 GLY CA . 53111 1 91 . 1 . 1 20 20 GLY N N 15 111.4731132 0.01841529474 . 1 . . . . . 349 GLY N . 53111 1 92 . 1 . 1 21 21 ALA H H 1 8.205234921 0.001840490505 . 1 . . . . . 350 ALA H . 53111 1 93 . 1 . 1 21 21 ALA C C 13 178.0801619 0.0009002887594 . 1 . . . . . 350 ALA C . 53111 1 94 . 1 . 1 21 21 ALA CA C 13 52.67664758 0.01200325212 . 1 . . . . . 350 ALA CA . 53111 1 95 . 1 . 1 21 21 ALA CB C 13 19.35254838 0.01767467366 . 1 . . . . . 350 ALA CB . 53111 1 96 . 1 . 1 21 21 ALA N N 15 123.7405466 0.006668031897 . 1 . . . . . 350 ALA N . 53111 1 97 . 1 . 1 22 22 LEU H H 1 8.39055053 0.001350761991 . 1 . . . . . 351 LEU H . 53111 1 98 . 1 . 1 22 22 LEU C C 13 177.3881171 0.005219838254 . 1 . . . . . 351 LEU C . 53111 1 99 . 1 . 1 22 22 LEU CA C 13 55.42510896 0.03169781094 . 1 . . . . . 351 LEU CA . 53111 1 100 . 1 . 1 22 22 LEU CB C 13 42.19698946 0.04312283983 . 1 . . . . . 351 LEU CB . 53111 1 101 . 1 . 1 22 22 LEU N N 15 121.1396924 0.01629062453 . 1 . . . . . 351 LEU N . 53111 1 102 . 1 . 1 23 23 ASP H H 1 8.316841231 0.001103102412 . 1 . . . . . 352 ASP H . 53111 1 103 . 1 . 1 23 23 ASP C C 13 176.6799429 0.004062288563 . 1 . . . . . 352 ASP C . 53111 1 104 . 1 . 1 23 23 ASP CA C 13 54.27413382 0.02285250918 . 1 . . . . . 352 ASP CA . 53111 1 105 . 1 . 1 23 23 ASP CB C 13 40.92693427 0.008074680748 . 1 . . . . . 352 ASP CB . 53111 1 106 . 1 . 1 23 23 ASP N N 15 121.0711535 0.02906959612 . 1 . . . . . 352 ASP N . 53111 1 107 . 1 . 1 24 24 GLU H H 1 8.460281181 0.0009962412905 . 1 . . . . . 353 GLU H . 53111 1 108 . 1 . 1 24 24 GLU C C 13 176.971844 0.00448349591 . 1 . . . . . 353 GLU C . 53111 1 109 . 1 . 1 24 24 GLU CA C 13 57.54375256 0.02968215096 . 1 . . . . . 353 GLU CA . 53111 1 110 . 1 . 1 24 24 GLU CB C 13 29.95833236 0.03301773925 . 1 . . . . . 353 GLU CB . 53111 1 111 . 1 . 1 24 24 GLU N N 15 122.2654852 0.01995484972 . 1 . . . . . 353 GLU N . 53111 1 112 . 1 . 1 25 25 ALA H H 1 8.328141027 0.001493596937 . 1 . . . . . 354 ALA H . 53111 1 113 . 1 . 1 25 25 ALA C C 13 178.3958075 0.001979174534 . 1 . . . . . 354 ALA C . 53111 1 114 . 1 . 1 25 25 ALA CA C 13 53.29171537 0.03698145594 . 1 . . . . . 354 ALA CA . 53111 1 115 . 1 . 1 25 25 ALA CB C 13 18.71569482 0.02770953489 . 1 . . . . . 354 ALA CB . 53111 1 116 . 1 . 1 25 25 ALA N N 15 123.6028738 0.05625330827 . 1 . . . . . 354 ALA N . 53111 1 117 . 1 . 1 26 26 ALA H H 1 8.089931313 0.001678188126 . 1 . . . . . 355 ALA H . 53111 1 118 . 1 . 1 26 26 ALA C C 13 178.2467794 0.004336439647 . 1 . . . . . 355 ALA C . 53111 1 119 . 1 . 1 26 26 ALA CA C 13 53.05475748 0.03041985729 . 1 . . . . . 355 ALA CA . 53111 1 120 . 1 . 1 26 26 ALA CB C 13 18.86057669 0.003831048797 . 1 . . . . . 355 ALA CB . 53111 1 121 . 1 . 1 26 26 ALA N N 15 122.1993902 0.0723591533 . 1 . . . . . 355 ALA N . 53111 1 122 . 1 . 1 27 27 ALA H H 1 8.128981667 0.001258707174 . 1 . . . . . 356 ALA H . 53111 1 123 . 1 . 1 27 27 ALA C C 13 178.07963 0.002121118328 . 1 . . . . . 356 ALA C . 53111 1 124 . 1 . 1 27 27 ALA CA C 13 53.04202537 0.04230865148 . 1 . . . . . 356 ALA CA . 53111 1 125 . 1 . 1 27 27 ALA CB C 13 18.86366388 0.00824440365 . 1 . . . . . 356 ALA CB . 53111 1 126 . 1 . 1 27 27 ALA N N 15 122.155708 0.01453580845 . 1 . . . . . 356 ALA N . 53111 1 127 . 1 . 1 28 28 TYR H H 1 8.047842765 0.001537484175 . 1 . . . . . 357 TYR H . 53111 1 128 . 1 . 1 28 28 TYR C C 13 176.0979833 0.009170573087 . 1 . . . . . 357 TYR C . 53111 1 129 . 1 . 1 28 28 TYR CA C 13 58.45900855 0.02371502351 . 1 . . . . . 357 TYR CA . 53111 1 130 . 1 . 1 28 28 TYR CB C 13 38.41969541 0.01169268938 . 1 . . . . . 357 TYR CB . 53111 1 131 . 1 . 1 28 28 TYR N N 15 118.7595189 0.02274918774 . 1 . . . . . 357 TYR N . 53111 1 132 . 1 . 1 29 29 GLN H H 1 8.104290257 0.00172809173 . 1 . . . . . 358 GLN H . 53111 1 133 . 1 . 1 29 29 GLN C C 13 175.7680053 0.00238674027 . 1 . . . . . 358 GLN C . 53111 1 134 . 1 . 1 29 29 GLN CA C 13 55.78327846 0.04253976298 . 1 . . . . . 358 GLN CA . 53111 1 135 . 1 . 1 29 29 GLN CB C 13 29.42006829 0.0226026904 . 1 . . . . . 358 GLN CB . 53111 1 136 . 1 . 1 29 29 GLN N N 15 121.4179637 0.01809981563 . 1 . . . . . 358 GLN N . 53111 1 137 . 1 . 1 30 30 SER H H 1 8.301902631 0.001457460882 . 1 . . . . . 359 SER H . 53111 1 138 . 1 . 1 30 30 SER C C 13 174.8530046 . . 1 . . . . . 359 SER C . 53111 1 139 . 1 . 1 30 30 SER CA C 13 58.60282706 . . 1 . . . . . 359 SER CA . 53111 1 140 . 1 . 1 30 30 SER CB C 13 63.66655079 . . 1 . . . . . 359 SER CB . 53111 1 141 . 1 . 1 30 30 SER N N 15 116.6509529 0.01255852961 . 1 . . . . . 359 SER N . 53111 1 142 . 1 . 1 31 31 ARG H H 1 8.357997399 0.001482880123 . 1 . . . . . 360 ARG H . 53111 1 143 . 1 . 1 31 31 ARG C C 13 175.923825 0.003470092054 . 1 . . . . . 360 ARG C . 53111 1 144 . 1 . 1 31 31 ARG CA C 13 56.45650929 . . 1 . . . . . 360 ARG CA . 53111 1 145 . 1 . 1 31 31 ARG CB C 13 30.6251 0.038 . 1 . . . . . 360 ARG CB . 53111 1 146 . 1 . 1 31 31 ARG N N 15 122.7499037 0.02492753986 . 1 . . . . . 360 ARG N . 53111 1 147 . 1 . 1 32 32 ASP H H 1 8.332094206 0.001992551006 . 1 . . . . . 361 ASP H . 53111 1 148 . 1 . 1 32 32 ASP C C 13 176.0859341 0.007524416383 . 1 . . . . . 361 ASP C . 53111 1 149 . 1 . 1 32 32 ASP CA C 13 54.34663405 0.03408910736 . 1 . . . . . 361 ASP CA . 53111 1 150 . 1 . 1 32 32 ASP CB C 13 40.87309395 0.05850785976 . 1 . . . . . 361 ASP CB . 53111 1 151 . 1 . 1 32 32 ASP N N 15 120.5896592 0.002483019607 . 1 . . . . . 361 ASP N . 53111 1 152 . 1 . 1 33 33 TYR H H 1 8.010718481 0.001819802489 . 1 . . . . . 362 TYR H . 53111 1 153 . 1 . 1 33 33 TYR C C 13 175.6279787 0.007379633168 . 1 . . . . . 362 TYR C . 53111 1 154 . 1 . 1 33 33 TYR CA C 13 58.74681964 0.03541148417 . 1 . . . . . 362 TYR CA . 53111 1 155 . 1 . 1 33 33 TYR CB C 13 38.59748459 0.01071069231 . 1 . . . . . 362 TYR CB . 53111 1 156 . 1 . 1 33 33 TYR N N 15 120.2634632 0.02266111202 . 1 . . . . . 362 TYR N . 53111 1 157 . 1 . 1 34 34 TYR H H 1 8.00482742 0.001004854771 . 1 . . . . . 363 TYR H . 53111 1 158 . 1 . 1 34 34 TYR C C 13 175.3302903 0.01224333164 . 1 . . . . . 363 TYR C . 53111 1 159 . 1 . 1 34 34 TYR CA C 13 58.44848872 0.05420930849 . 1 . . . . . 363 TYR CA . 53111 1 160 . 1 . 1 34 34 TYR CB C 13 38.59961037 0.009381623915 . 1 . . . . . 363 TYR CB . 53111 1 161 . 1 . 1 34 34 TYR N N 15 119.9429764 0.01726127772 . 1 . . . . . 363 TYR N . 53111 1 162 . 1 . 1 35 35 ASN H H 1 8.022497655 0.002036070824 . 1 . . . . . 364 ASN H . 53111 1 163 . 1 . 1 35 35 ASN C C 13 174.1319739 0.01328635825 . 1 . . . . . 364 ASN C . 53111 1 164 . 1 . 1 35 35 ASN CA C 13 53.03243455 0.02485963659 . 1 . . . . . 364 ASN CA . 53111 1 165 . 1 . 1 35 35 ASN CB C 13 38.92895381 0.06137746064 . 1 . . . . . 364 ASN CB . 53111 1 166 . 1 . 1 35 35 ASN N N 15 119.3251618 0.02654551639 . 1 . . . . . 364 ASN N . 53111 1 167 . 1 . 1 36 36 PHE H H 1 8.049137135 0.001407206123 . 1 . . . . . 365 PHE H . 53111 1 168 . 1 . 1 36 36 PHE C C 13 173.6256416 . . 1 . . . . . 365 PHE C . 53111 1 169 . 1 . 1 36 36 PHE CA C 13 55.96721598 0.00341194197 . 1 . . . . . 365 PHE CA . 53111 1 170 . 1 . 1 36 36 PHE CB C 13 38.83671017 . . 1 . . . . . 365 PHE CB . 53111 1 171 . 1 . 1 36 36 PHE N N 15 121.2806068 0.02443595028 . 1 . . . . . 365 PHE N . 53111 1 172 . 1 . 1 37 37 PRO C C 13 176.9776689 0.002627700017 . 1 . . . . . 366 PRO C . 53111 1 173 . 1 . 1 37 37 PRO CA C 13 63.36118155 0.01272332785 . 1 . . . . . 366 PRO CA . 53111 1 174 . 1 . 1 37 37 PRO CB C 13 31.89980037 . . 1 . . . . . 366 PRO CB . 53111 1 175 . 1 . 1 38 38 LEU H H 1 8.348418701 0.00172471039 . 1 . . . . . 367 LEU H . 53111 1 176 . 1 . 1 38 38 LEU C C 13 177.3651392 0.006236212791 . 1 . . . . . 367 LEU C . 53111 1 177 . 1 . 1 38 38 LEU CA C 13 55.24220935 . . 1 . . . . . 367 LEU CA . 53111 1 178 . 1 . 1 38 38 LEU CB C 13 42.38746189 . . 1 . . . . . 367 LEU CB . 53111 1 179 . 1 . 1 38 38 LEU N N 15 122.2832034 0.02829935034 . 1 . . . . . 367 LEU N . 53111 1 180 . 1 . 1 39 39 ALA H H 1 8.358479519 0.001106536528 . 1 . . . . . 368 ALA H . 53111 1 181 . 1 . 1 39 39 ALA C C 13 177.6039165 0.007825735455 . 1 . . . . . 368 ALA C . 53111 1 182 . 1 . 1 39 39 ALA CA C 13 52.4552092 . . 1 . . . . . 368 ALA CA . 53111 1 183 . 1 . 1 39 39 ALA CB C 13 19.06638582 . . 1 . . . . . 368 ALA CB . 53111 1 184 . 1 . 1 39 39 ALA N N 15 124.8136107 0.05163841383 . 1 . . . . . 368 ALA N . 53111 1 185 . 1 . 1 40 40 LEU H H 1 8.259358254 0.0009134671054 . 1 . . . . . 369 LEU H . 53111 1 186 . 1 . 1 40 40 LEU C C 13 177.12757 0.004981410049 . 1 . . . . . 369 LEU C . 53111 1 187 . 1 . 1 40 40 LEU CA C 13 54.99509862 0.05361973144 . 1 . . . . . 369 LEU CA . 53111 1 188 . 1 . 1 40 40 LEU CB C 13 42.2958219 0.05983318695 . 1 . . . . . 369 LEU CB . 53111 1 189 . 1 . 1 40 40 LEU N N 15 121.5884133 0.000098 . 1 . . . . . 369 LEU N . 53111 1 190 . 1 . 1 41 41 ALA H H 1 8.359382038 0.001522324794 . 1 . . . . . 370 ALA H . 53111 1 191 . 1 . 1 41 41 ALA C C 13 177.7306985 0.002263571253 . 1 . . . . . 370 ALA C . 53111 1 192 . 1 . 1 41 41 ALA CA C 13 52.41677333 0.01309686392 . 1 . . . . . 370 ALA CA . 53111 1 193 . 1 . 1 41 41 ALA CB C 13 19.39639676 . . 1 . . . . . 370 ALA CB . 53111 1 194 . 1 . 1 41 41 ALA N N 15 124.9711213 0.02946240028 . 1 . . . . . 370 ALA N . 53111 1 195 . 1 . 1 42 42 GLY H H 1 8.207315358 0.001941616801 . 1 . . . . . 371 GLY H . 53111 1 196 . 1 . 1 42 42 GLY C C 13 177.9516999 . . 1 . . . . . 371 GLY C . 53111 1 197 . 1 . 1 42 42 GLY CA C 13 44.34196692 0.006058781311 . 1 . . . . . 371 GLY CA . 53111 1 198 . 1 . 1 42 42 GLY N N 15 108.5050619 0.01733038411 . 1 . . . . . 371 GLY N . 53111 1 199 . 1 . 1 50 50 PRO C C 13 176.3369997 . . 1 . . . . . 379 PRO C . 53111 1 200 . 1 . 1 50 50 PRO CA C 13 62.71982357 . . 1 . . . . . 379 PRO CA . 53111 1 201 . 1 . 1 50 50 PRO CB C 13 31.86263223 . . 1 . . . . . 379 PRO CB . 53111 1 202 . 1 . 1 51 51 HIS H H 1 8.420417481 0.001277241974 . 1 . . . . . 380 HIS H . 53111 1 203 . 1 . 1 51 51 HIS C C 13 174.2703359 . . 1 . . . . . 380 HIS C . 53111 1 204 . 1 . 1 51 51 HIS CA C 13 54.55876284 0.02246646698 . 1 . . . . . 380 HIS CA . 53111 1 205 . 1 . 1 51 51 HIS CB C 13 30.57485234 . . 1 . . . . . 380 HIS CB . 53111 1 206 . 1 . 1 51 51 HIS N N 15 121.4158467 0.01473588003 . 1 . . . . . 380 HIS N . 53111 1 207 . 1 . 1 52 52 PRO C C 13 176.9285129 . . 1 . . . . . 381 PRO C . 53111 1 208 . 1 . 1 52 52 PRO CA C 13 63.71990257 0.008308478377 . 1 . . . . . 381 PRO CA . 53111 1 209 . 1 . 1 52 52 PRO CB C 13 31.93949895 0.0318704047 . 1 . . . . . 381 PRO CB . 53111 1 210 . 1 . 1 53 53 HIS H H 1 8.85601973 0.002918422867 . 1 . . . . . 382 HIS H . 53111 1 211 . 1 . 1 53 53 HIS C C 13 175.4427808 . . 1 . . . . . 382 HIS C . 53111 1 212 . 1 . 1 53 53 HIS CA C 13 56.1505578 . . 1 . . . . . 382 HIS CA . 53111 1 213 . 1 . 1 53 53 HIS CB C 13 30.82086581 . . 1 . . . . . 382 HIS CB . 53111 1 214 . 1 . 1 53 53 HIS N N 15 119.7974986 0.02068076757 . 1 . . . . . 382 HIS N . 53111 1 215 . 1 . 1 54 54 ALA H H 1 8.276197856 0.002539181788 . 1 . . . . . 383 ALA H . 53111 1 216 . 1 . 1 54 54 ALA C C 13 177.5759999 0.01532317822 . 1 . . . . . 383 ALA C . 53111 1 217 . 1 . 1 54 54 ALA CA C 13 52.61106841 0.02900636478 . 1 . . . . . 383 ALA CA . 53111 1 218 . 1 . 1 54 54 ALA CB C 13 19.18067647 0.005298367946 . 1 . . . . . 383 ALA CB . 53111 1 219 . 1 . 1 54 54 ALA N N 15 124.8800069 0.01039322382 . 1 . . . . . 383 ALA N . 53111 1 220 . 1 . 1 55 55 ARG H H 1 8.49946917 0.002389954606 . 1 . . . . . 384 ARG H . 53111 1 221 . 1 . 1 55 55 ARG C C 13 176.3146681 0.01315561279 . 1 . . . . . 384 ARG C . 53111 1 222 . 1 . 1 55 55 ARG CA C 13 56.16613371 0.02217063375 . 1 . . . . . 384 ARG CA . 53111 1 223 . 1 . 1 55 55 ARG CB C 13 30.784009 0.03667247699 . 1 . . . . . 384 ARG CB . 53111 1 224 . 1 . 1 55 55 ARG N N 15 120.8133533 0.02422780758 . 1 . . . . . 384 ARG N . 53111 1 225 . 1 . 1 56 56 ILE H H 1 8.257966817 0.002034168186 . 1 . . . . . 385 ILE H . 53111 1 226 . 1 . 1 56 56 ILE C C 13 175.9576228 0.005529508955 . 1 . . . . . 385 ILE C . 53111 1 227 . 1 . 1 56 56 ILE CA C 13 61.14563003 0.05050056291 . 1 . . . . . 385 ILE CA . 53111 1 228 . 1 . 1 56 56 ILE CB C 13 38.7397892 0.0391787208 . 1 . . . . . 385 ILE CB . 53111 1 229 . 1 . 1 56 56 ILE N N 15 122.6382996 0.03847422212 . 1 . . . . . 385 ILE N . 53111 1 230 . 1 . 1 57 57 LYS H H 1 8.490489032 0.002012843467 . 1 . . . . . 386 LYS H . 53111 1 231 . 1 . 1 57 57 LYS C C 13 176.0548779 0.004321765385 . 1 . . . . . 386 LYS C . 53111 1 232 . 1 . 1 57 57 LYS CA C 13 56.17882537 0.02454149159 . 1 . . . . . 386 LYS CA . 53111 1 233 . 1 . 1 57 57 LYS CB C 13 33.00857492 . . 1 . . . . . 386 LYS CB . 53111 1 234 . 1 . 1 57 57 LYS N N 15 126.2742206 0.04308212096 . 1 . . . . . 386 LYS N . 53111 1 235 . 1 . 1 58 58 LEU H H 1 8.42118591 0.001731132972 . 1 . . . . . 387 LEU H . 53111 1 236 . 1 . 1 58 58 LEU C C 13 177.1458262 0.007127059247 . 1 . . . . . 387 LEU C . 53111 1 237 . 1 . 1 58 58 LEU CA C 13 54.90340147 0.03608987286 . 1 . . . . . 387 LEU CA . 53111 1 238 . 1 . 1 58 58 LEU CB C 13 42.21967937 0.04921469803 . 1 . . . . . 387 LEU CB . 53111 1 239 . 1 . 1 58 58 LEU N N 15 125.0886447 0.000992014756 . 1 . . . . . 387 LEU N . 53111 1 240 . 1 . 1 59 59 GLU H H 1 8.546797886 0.001695542695 . 1 . . . . . 388 GLU H . 53111 1 241 . 1 . 1 59 59 GLU C C 13 175.8083896 0.004613444232 . 1 . . . . . 388 GLU C . 53111 1 242 . 1 . 1 59 59 GLU CA C 13 56.47774281 0.004425806307 . 1 . . . . . 388 GLU CA . 53111 1 243 . 1 . 1 59 59 GLU CB C 13 30.40442591 . . 1 . . . . . 388 GLU CB . 53111 1 244 . 1 . 1 59 59 GLU N N 15 122.0572145 0.02513327529 . 1 . . . . . 388 GLU N . 53111 1 245 . 1 . 1 60 60 ASN H H 1 8.610227267 0.001492406882 . 1 . . . . . 389 ASN H . 53111 1 246 . 1 . 1 60 60 ASN C C 13 173.494595 . . 1 . . . . . 389 ASN C . 53111 1 247 . 1 . 1 60 60 ASN CA C 13 50.94651127 0.00106341892 . 1 . . . . . 389 ASN CA . 53111 1 248 . 1 . 1 60 60 ASN CB C 13 38.89459907 . . 1 . . . . . 389 ASN CB . 53111 1 249 . 1 . 1 60 60 ASN N N 15 120.478888 0.01378986601 . 1 . . . . . 389 ASN N . 53111 1 250 . 1 . 1 61 61 PRO C C 13 177.2199996 0.002289650289 . 1 . . . . . 390 PRO C . 53111 1 251 . 1 . 1 61 61 PRO CA C 13 63.66460534 0.0353771648 . 1 . . . . . 390 PRO CA . 53111 1 252 . 1 . 1 61 61 PRO CB C 13 32.15824859 . . 1 . . . . . 390 PRO CB . 53111 1 253 . 1 . 1 62 62 LEU H H 1 8.219026187 0.001323334065 . 1 . . . . . 391 LEU H . 53111 1 254 . 1 . 1 62 62 LEU C C 13 177.2098602 0.006448625283 . 1 . . . . . 391 LEU C . 53111 1 255 . 1 . 1 62 62 LEU CA C 13 55.36569016 0.03420756375 . 1 . . . . . 391 LEU CA . 53111 1 256 . 1 . 1 62 62 LEU CB C 13 41.70937097 0.04087745605 . 1 . . . . . 391 LEU CB . 53111 1 257 . 1 . 1 62 62 LEU N N 15 120.0096349 0.01449317424 . 1 . . . . . 391 LEU N . 53111 1 258 . 1 . 1 63 63 ASP H H 1 8.057016164 0.00143724051 . 1 . . . . . 392 ASP H . 53111 1 259 . 1 . 1 63 63 ASP C C 13 176.1717036 0.01100497699 . 1 . . . . . 392 ASP C . 53111 1 260 . 1 . 1 63 63 ASP CA C 13 54.07630158 0.01076336053 . 1 . . . . . 392 ASP CA . 53111 1 261 . 1 . 1 63 63 ASP CB C 13 40.9702335 . . 1 . . . . . 392 ASP CB . 53111 1 262 . 1 . 1 63 63 ASP N N 15 119.8745303 0.02148942061 . 1 . . . . . 392 ASP N . 53111 1 263 . 1 . 1 64 64 TYR H H 1 8.11135241 0.002820605068 . 1 . . . . . 393 TYR H . 53111 1 264 . 1 . 1 64 64 TYR C C 13 176.6934203 0.01168360242 . 1 . . . . . 393 TYR C . 53111 1 265 . 1 . 1 64 64 TYR CA C 13 58.5902225 0.02486072556 . 1 . . . . . 393 TYR CA . 53111 1 266 . 1 . 1 64 64 TYR CB C 13 38.40453841 0.05251671813 . 1 . . . . . 393 TYR CB . 53111 1 267 . 1 . 1 64 64 TYR N N 15 121.2572976 0.01658349898 . 1 . . . . . 393 TYR N . 53111 1 268 . 1 . 1 65 65 GLY H H 1 8.405121253 0.001893043098 . 1 . . . . . 394 GLY H . 53111 1 269 . 1 . 1 65 65 GLY C C 13 174.4015285 0.01412746712 . 1 . . . . . 394 GLY C . 53111 1 270 . 1 . 1 65 65 GLY CA C 13 45.45924732 0.02956468097 . 1 . . . . . 394 GLY CA . 53111 1 271 . 1 . 1 65 65 GLY N N 15 110.0172632 0.01564615307 . 1 . . . . . 394 GLY N . 53111 1 272 . 1 . 1 66 66 SER H H 1 8.1420591 0.001521274952 . 1 . . . . . 395 SER H . 53111 1 273 . 1 . 1 66 66 SER C C 13 174.1572908 . . 1 . . . . . 395 SER C . 53111 1 274 . 1 . 1 66 66 SER CA C 13 58.58690847 0.03586160375 . 1 . . . . . 395 SER CA . 53111 1 275 . 1 . 1 66 66 SER CB C 13 63.75257392 0.04974095096 . 1 . . . . . 395 SER CB . 53111 1 276 . 1 . 1 66 66 SER N N 15 115.628619 0.02156066346 . 1 . . . . . 395 SER N . 53111 1 277 . 1 . 1 67 67 ALA H H 1 8.265722848 0.001952445176 . 1 . . . . . 396 ALA H . 53111 1 278 . 1 . 1 67 67 ALA C C 13 177.032546 0.007244760927 . 1 . . . . . 396 ALA C . 53111 1 279 . 1 . 1 67 67 ALA CA C 13 52.36479548 0.03460972612 . 1 . . . . . 396 ALA CA . 53111 1 280 . 1 . 1 67 67 ALA CB C 13 19.09789067 0.0580132004 . 1 . . . . . 396 ALA CB . 53111 1 281 . 1 . 1 67 67 ALA N N 15 125.1347567 0.03929897753 . 1 . . . . . 396 ALA N . 53111 1 282 . 1 . 1 68 68 TRP H H 1 8.172794222 0.00207258493 . 1 . . . . . 397 TRP H . 53111 1 283 . 1 . 1 68 68 TRP C C 13 174.3344253 . . 1 . . . . . 397 TRP C . 53111 1 284 . 1 . 1 68 68 TRP CA C 13 55.1291566 0.01461344036 . 1 . . . . . 397 TRP CA . 53111 1 285 . 1 . 1 68 68 TRP CB C 13 28.93908848 . . 1 . . . . . 397 TRP CB . 53111 1 286 . 1 . 1 68 68 TRP N N 15 121.5626915 0.03314914365 . 1 . . . . . 397 TRP N . 53111 1 287 . 1 . 1 69 69 PRO C C 13 176.8822593 0.01096189003 . 1 . . . . . 398 PRO C . 53111 1 288 . 1 . 1 69 69 PRO CA C 13 63.40141344 0.02902015905 . 1 . . . . . 398 PRO CA . 53111 1 289 . 1 . 1 69 69 PRO CB C 13 31.80918041 . . 1 . . . . . 398 PRO CB . 53111 1 290 . 1 . 1 70 70 ALA H H 1 8.389206737 0.002121902801 . 1 . . . . . 399 ALA H . 53111 1 291 . 1 . 1 70 70 ALA C C 13 178.0629606 0.005062211789 . 1 . . . . . 399 ALA C . 53111 1 292 . 1 . 1 70 70 ALA CA C 13 52.834255 0.00994851136 . 1 . . . . . 399 ALA CA . 53111 1 293 . 1 . 1 70 70 ALA CB C 13 18.93184518 . . 1 . . . . . 399 ALA CB . 53111 1 294 . 1 . 1 70 70 ALA N N 15 124.1845482 0.03339077531 . 1 . . . . . 399 ALA N . 53111 1 295 . 1 . 1 71 71 ALA H H 1 8.340100874 0.001053505809 . 1 . . . . . 400 ALA H . 53111 1 296 . 1 . 1 71 71 ALA C C 13 177.9982827 . . 1 . . . . . 400 ALA C . 53111 1 297 . 1 . 1 71 71 ALA CA C 13 52.7841675 0.006588624786 . 1 . . . . . 400 ALA CA . 53111 1 298 . 1 . 1 71 71 ALA CB C 13 18.93877124 . . 1 . . . . . 400 ALA CB . 53111 1 299 . 1 . 1 71 71 ALA N N 15 122.6355792 0.003546204573 . 1 . . . . . 400 ALA N . 53111 1 300 . 1 . 1 72 72 ALA H H 1 8.27642114 0.0009299952948 . 1 . . . . . 401 ALA H . 53111 1 301 . 1 . 1 72 72 ALA C C 13 177.9928306 . . 1 . . . . . 401 ALA C . 53111 1 302 . 1 . 1 72 72 ALA CA C 13 52.7259474 . . 1 . . . . . 401 ALA CA . 53111 1 303 . 1 . 1 72 72 ALA CB C 13 19.02311466 . . 1 . . . . . 401 ALA CB . 53111 1 304 . 1 . 1 72 72 ALA N N 15 122.8850071 0.002307914702 . 1 . . . . . 401 ALA N . 53111 1 305 . 1 . 1 73 73 ALA C C 13 178.0636578 . . 1 . . . . . 402 ALA C . 53111 1 306 . 1 . 1 73 73 ALA CA C 13 52.95301513 0.06478570806 . 1 . . . . . 402 ALA CA . 53111 1 307 . 1 . 1 73 73 ALA CB C 13 18.93809529 . . 1 . . . . . 402 ALA CB . 53111 1 308 . 1 . 1 74 74 GLN H H 1 8.343679866 0.001623605058 . 1 . . . . . 403 GLN H . 53111 1 309 . 1 . 1 74 74 GLN C C 13 176.3031238 0.01144460884 . 1 . . . . . 403 GLN C . 53111 1 310 . 1 . 1 74 74 GLN CA C 13 56.10115483 0.05217219762 . 1 . . . . . 403 GLN CA . 53111 1 311 . 1 . 1 74 74 GLN CB C 13 29.38363343 . . 1 . . . . . 403 GLN CB . 53111 1 312 . 1 . 1 74 74 GLN N N 15 118.8719607 0.02714629819 . 1 . . . . . 403 GLN N . 53111 1 313 . 1 . 1 75 75 SER H H 1 8.362990202 0.005775980425 . 1 . . . . . 404 SER H . 53111 1 314 . 1 . 1 75 75 SER CA C 13 58.78214498 . . 1 . . . . . 404 SER CA . 53111 1 315 . 1 . 1 75 75 SER CB C 13 63.92910877 . . 1 . . . . . 404 SER CB . 53111 1 316 . 1 . 1 75 75 SER N N 15 116.8594305 0.0316911355 . 1 . . . . . 404 SER N . 53111 1 317 . 1 . 1 76 76 ARG C C 13 176.1487997 . . 1 . . . . . 405 ARG C . 53111 1 318 . 1 . 1 76 76 ARG CA C 13 56.37578273 . . 1 . . . . . 405 ARG CA . 53111 1 319 . 1 . 1 76 76 ARG CB C 13 30.51947154 0.038 . 1 . . . . . 405 ARG CB . 53111 1 320 . 1 . 1 77 77 TYR H H 1 8.283666568 0.0007335290598 . 1 . . . . . 406 TYR H . 53111 1 321 . 1 . 1 77 77 TYR C C 13 176.4986507 . . 1 . . . . . 406 TYR C . 53111 1 322 . 1 . 1 77 77 TYR CA C 13 58.25484101 0.03600547046 . 1 . . . . . 406 TYR CA . 53111 1 323 . 1 . 1 77 77 TYR CB C 13 38.6172092 0.03961025304 . 1 . . . . . 406 TYR CB . 53111 1 324 . 1 . 1 77 77 TYR N N 15 120.2725265 0.0002351808045 . 1 . . . . . 406 TYR N . 53111 1 325 . 1 . 1 78 78 GLY H H 1 8.291957011 0.002679063075 . 1 . . . . . 407 GLY H . 53111 1 326 . 1 . 1 78 78 GLY C C 13 173.9029041 0.008620283406 . 1 . . . . . 407 GLY C . 53111 1 327 . 1 . 1 78 78 GLY CA C 13 45.31073757 0.04276178609 . 1 . . . . . 407 GLY CA . 53111 1 328 . 1 . 1 78 78 GLY N N 15 110.2422789 0.03235193246 . 1 . . . . . 407 GLY N . 53111 1 329 . 1 . 1 79 79 ASP H H 1 8.257953319 0.001804867965 . 1 . . . . . 408 ASP H . 53111 1 330 . 1 . 1 79 79 ASP C C 13 176.7972145 0.0002039704038 . 1 . . . . . 408 ASP C . 53111 1 331 . 1 . 1 79 79 ASP CA C 13 54.36297718 0.0318776882 . 1 . . . . . 408 ASP CA . 53111 1 332 . 1 . 1 79 79 ASP CB C 13 41.04888613 . . 1 . . . . . 408 ASP CB . 53111 1 333 . 1 . 1 79 79 ASP N N 15 120.5900934 0.01628842683 . 1 . . . . . 408 ASP N . 53111 1 334 . 1 . 1 80 80 LEU H H 1 8.341504765 0.001310703574 . 1 . . . . . 409 LEU H . 53111 1 335 . 1 . 1 80 80 LEU C C 13 177.8978054 . . 1 . . . . . 409 LEU C . 53111 1 336 . 1 . 1 80 80 LEU CA C 13 56.11151291 . . 1 . . . . . 409 LEU CA . 53111 1 337 . 1 . 1 80 80 LEU CB C 13 41.91745651 . . 1 . . . . . 409 LEU CB . 53111 1 338 . 1 . 1 80 80 LEU N N 15 122.7529781 0.009086577958 . 1 . . . . . 409 LEU N . 53111 1 339 . 1 . 1 81 81 ALA H H 1 8.319144558 0.00240122929 . 1 . . . . . 410 ALA H . 53111 1 340 . 1 . 1 81 81 ALA C C 13 178.5113607 0.0159200304 . 1 . . . . . 410 ALA C . 53111 1 341 . 1 . 1 81 81 ALA CA C 13 53.38060737 0.02716079236 . 1 . . . . . 410 ALA CA . 53111 1 342 . 1 . 1 81 81 ALA CB C 13 18.70438065 0.06511314474 . 1 . . . . . 410 ALA CB . 53111 1 343 . 1 . 1 81 81 ALA N N 15 123.3507149 0.01979655587 . 1 . . . . . 410 ALA N . 53111 1 344 . 1 . 1 82 82 SER H H 1 8.125818323 0.001626002111 . 1 . . . . . 411 SER H . 53111 1 345 . 1 . 1 82 82 SER C C 13 175.013312 0.0035654994 . 1 . . . . . 411 SER C . 53111 1 346 . 1 . 1 82 82 SER CA C 13 58.8338095 0.02115780017 . 1 . . . . . 411 SER CA . 53111 1 347 . 1 . 1 82 82 SER CB C 13 63.4967889 0.01480347695 . 1 . . . . . 411 SER CB . 53111 1 348 . 1 . 1 82 82 SER N N 15 113.9339771 0.01579145861 . 1 . . . . . 411 SER N . 53111 1 349 . 1 . 1 83 83 LEU H H 1 8.096973748 0.002285880103 . 1 . . . . . 412 LEU H . 53111 1 350 . 1 . 1 83 83 LEU C C 13 177.5155686 0.002412979963 . 1 . . . . . 412 LEU C . 53111 1 351 . 1 . 1 83 83 LEU CA C 13 55.65734525 0.0513541366 . 1 . . . . . 412 LEU CA . 53111 1 352 . 1 . 1 83 83 LEU CB C 13 42.10959339 0.01847394856 . 1 . . . . . 412 LEU CB . 53111 1 353 . 1 . 1 83 83 LEU N N 15 123.4379934 0.008578302968 . 1 . . . . . 412 LEU N . 53111 1 354 . 1 . 1 84 84 HIS H H 1 8.215668896 0.002108171962 . 1 . . . . . 413 HIS H . 53111 1 355 . 1 . 1 84 84 HIS C C 13 176.0835519 0.006497240828 . 1 . . . . . 413 HIS C . 53111 1 356 . 1 . 1 84 84 HIS CA C 13 56.40837484 0.02675488486 . 1 . . . . . 413 HIS CA . 53111 1 357 . 1 . 1 84 84 HIS CB C 13 30.69590898 0.04228864455 . 1 . . . . . 413 HIS CB . 53111 1 358 . 1 . 1 84 84 HIS N N 15 118.8409259 0.01932384047 . 1 . . . . . 413 HIS N . 53111 1 359 . 1 . 1 85 85 GLY H H 1 8.328373115 0.002019976082 . 1 . . . . . 414 GLY H . 53111 1 360 . 1 . 1 85 85 GLY C C 13 174.0746526 0.01873052581 . 1 . . . . . 414 GLY C . 53111 1 361 . 1 . 1 85 85 GLY CA C 13 45.29078189 0.04450037532 . 1 . . . . . 414 GLY CA . 53111 1 362 . 1 . 1 85 85 GLY N N 15 109.8861831 0.0161965571 . 1 . . . . . 414 GLY N . 53111 1 363 . 1 . 1 86 86 ALA H H 1 8.341801696 0.002026499853 . 1 . . . . . 415 ALA H . 53111 1 364 . 1 . 1 86 86 ALA C C 13 178.423126 0.008720655346 . 1 . . . . . 415 ALA C . 53111 1 365 . 1 . 1 86 86 ALA CA C 13 52.80171819 0.03873136108 . 1 . . . . . 415 ALA CA . 53111 1 366 . 1 . 1 86 86 ALA CB C 13 19.15532167 0.01789625486 . 1 . . . . . 415 ALA CB . 53111 1 367 . 1 . 1 86 86 ALA N N 15 123.9170951 0.02007540315 . 1 . . . . . 415 ALA N . 53111 1 368 . 1 . 1 87 87 GLY H H 1 8.495430453 0.001331781715 . 1 . . . . . 416 GLY H . 53111 1 369 . 1 . 1 87 87 GLY C C 13 174.0248536 0.002289526353 . 1 . . . . . 416 GLY C . 53111 1 370 . 1 . 1 87 87 GLY CA C 13 45.18332788 0.02234254923 . 1 . . . . . 416 GLY CA . 53111 1 371 . 1 . 1 87 87 GLY N N 15 108.2939912 0.02038295954 . 1 . . . . . 416 GLY N . 53111 1 372 . 1 . 1 88 88 ALA H H 1 8.187570445 0.0009632738637 . 1 . . . . . 417 ALA H . 53111 1 373 . 1 . 1 88 88 ALA C C 13 177.4794531 0.003009084127 . 1 . . . . . 417 ALA C . 53111 1 374 . 1 . 1 88 88 ALA CA C 13 52.49075433 0.01843219716 . 1 . . . . . 417 ALA CA . 53111 1 375 . 1 . 1 88 88 ALA CB C 13 19.34840847 . . 1 . . . . . 417 ALA CB . 53111 1 376 . 1 . 1 88 88 ALA N N 15 123.845868 0.004582449648 . 1 . . . . . 417 ALA N . 53111 1 377 . 1 . 1 89 89 ALA H H 1 8.378562471 0.0008135082116 . 1 . . . . . 418 ALA H . 53111 1 378 . 1 . 1 89 89 ALA C C 13 177.8907262 0.001248743932 . 1 . . . . . 418 ALA C . 53111 1 379 . 1 . 1 89 89 ALA CA C 13 52.32822723 0.03014676 . 1 . . . . . 418 ALA CA . 53111 1 380 . 1 . 1 89 89 ALA CB C 13 19.379659 0.01161546185 . 1 . . . . . 418 ALA CB . 53111 1 381 . 1 . 1 89 89 ALA N N 15 123.110271 0.01373539339 . 1 . . . . . 418 ALA N . 53111 1 382 . 1 . 1 90 90 GLY H H 1 8.229341114 0.001545000761 . 1 . . . . . 419 GLY H . 53111 1 383 . 1 . 1 90 90 GLY C C 13 179.0255993 . . 1 . . . . . 419 GLY C . 53111 1 384 . 1 . 1 90 90 GLY CA C 13 44.49444147 0.01044612461 . 1 . . . . . 419 GLY CA . 53111 1 385 . 1 . 1 90 90 GLY N N 15 108.1164784 0.01927138653 . 1 . . . . . 419 GLY N . 53111 1 386 . 1 . 1 91 91 PRO C C 13 177.862302 . . 1 . . . . . 420 PRO C . 53111 1 387 . 1 . 1 91 91 PRO CA C 13 63.5721596 0.02084859558 . 1 . . . . . 420 PRO CA . 53111 1 388 . 1 . 1 91 91 PRO CB C 13 32.02289088 . . 1 . . . . . 420 PRO CB . 53111 1 389 . 1 . 1 92 92 GLY H H 1 8.69692536 0.001533977833 . 1 . . . . . 421 GLY H . 53111 1 390 . 1 . 1 92 92 GLY C C 13 174.450038 0.0003460931265 . 1 . . . . . 421 GLY C . 53111 1 391 . 1 . 1 92 92 GLY CA C 13 45.22512791 0.01082449078 . 1 . . . . . 421 GLY CA . 53111 1 392 . 1 . 1 92 92 GLY N N 15 110.1024548 0.01579084988 . 1 . . . . . 421 GLY N . 53111 1 393 . 1 . 1 93 93 SER H H 1 8.310845065 0.001606889077 . 1 . . . . . 422 SER H . 53111 1 394 . 1 . 1 93 93 SER C C 13 175.1466399 . . 1 . . . . . 422 SER C . 53111 1 395 . 1 . 1 93 93 SER CA C 13 58.71262649 0.02631267273 . 1 . . . . . 422 SER CA . 53111 1 396 . 1 . 1 93 93 SER CB C 13 63.94302844 0.0136882618 . 1 . . . . . 422 SER CB . 53111 1 397 . 1 . 1 93 93 SER N N 15 115.6207583 0.01689947937 . 1 . . . . . 422 SER N . 53111 1 398 . 1 . 1 94 94 GLY H H 1 8.59284798 0.001632078184 . 1 . . . . . 423 GLY H . 53111 1 399 . 1 . 1 94 94 GLY C C 13 173.830834 0.0007471817649 . 1 . . . . . 423 GLY C . 53111 1 400 . 1 . 1 94 94 GLY CA C 13 45.0612215 0.01071783775 . 1 . . . . . 423 GLY CA . 53111 1 401 . 1 . 1 94 94 GLY N N 15 110.9187824 0.01854014111 . 1 . . . . . 423 GLY N . 53111 1 402 . 1 . 1 95 95 SER H H 1 8.28058026 0.001175800044 . 1 . . . . . 424 SER H . 53111 1 403 . 1 . 1 95 95 SER CA C 13 56.44309209 0.01684355579 . 1 . . . . . 424 SER CA . 53111 1 404 . 1 . 1 95 95 SER CB C 13 63.24380517 . . 1 . . . . . 424 SER CB . 53111 1 405 . 1 . 1 95 95 SER N N 15 116.9061004 0.0130008955 . 1 . . . . . 424 SER N . 53111 1 406 . 1 . 1 96 96 PRO C C 13 177.1523229 . . 1 . . . . . 425 PRO C . 53111 1 407 . 1 . 1 96 96 PRO CA C 13 63.4833835 0.01092954022 . 1 . . . . . 425 PRO CA . 53111 1 408 . 1 . 1 96 96 PRO CB C 13 32.0191932 . . 1 . . . . . 425 PRO CB . 53111 1 409 . 1 . 1 97 97 SER H H 1 8.452207455 0.001426148118 . 1 . . . . . 426 SER H . 53111 1 410 . 1 . 1 97 97 SER C C 13 174.5331522 . . 1 . . . . . 426 SER C . 53111 1 411 . 1 . 1 97 97 SER CA C 13 58.36161631 0.02025060412 . 1 . . . . . 426 SER CA . 53111 1 412 . 1 . 1 97 97 SER CB C 13 63.79476476 0.08112636733 . 1 . . . . . 426 SER CB . 53111 1 413 . 1 . 1 97 97 SER N N 15 115.980515 0.01350508931 . 1 . . . . . 426 SER N . 53111 1 414 . 1 . 1 98 98 ALA H H 1 8.412298162 0.001798764431 . 1 . . . . . 427 ALA H . 53111 1 415 . 1 . 1 98 98 ALA C C 13 177.7119966 0.002514076515 . 1 . . . . . 427 ALA C . 53111 1 416 . 1 . 1 98 98 ALA CA C 13 52.75750215 0.0467327974 . 1 . . . . . 427 ALA CA . 53111 1 417 . 1 . 1 98 98 ALA CB C 13 19.08409086 . . 1 . . . . . 427 ALA CB . 53111 1 418 . 1 . 1 98 98 ALA N N 15 126.3826195 0.01037114887 . 1 . . . . . 427 ALA N . 53111 1 419 . 1 . 1 99 99 ALA H H 1 8.296084606 0.001528481033 . 1 . . . . . 428 ALA H . 53111 1 420 . 1 . 1 99 99 ALA C C 13 177.8651975 0.0114731561 . 1 . . . . . 428 ALA C . 53111 1 421 . 1 . 1 99 99 ALA CA C 13 52.66635316 . . 1 . . . . . 428 ALA CA . 53111 1 422 . 1 . 1 99 99 ALA CB C 13 19.05966769 . . 1 . . . . . 428 ALA CB . 53111 1 423 . 1 . 1 99 99 ALA N N 15 123.015488 0.01912895681 . 1 . . . . . 428 ALA N . 53111 1 424 . 1 . 1 100 100 ALA H H 1 8.318390277 0.001993113545 . 1 . . . . . 429 ALA H . 53111 1 425 . 1 . 1 100 100 ALA C C 13 178.0705171 0.005152482309 . 1 . . . . . 429 ALA C . 53111 1 426 . 1 . 1 100 100 ALA CA C 13 52.67005678 0.01440139166 . 1 . . . . . 429 ALA CA . 53111 1 427 . 1 . 1 100 100 ALA CB C 13 19.09954674 . . 1 . . . . . 429 ALA CB . 53111 1 428 . 1 . 1 100 100 ALA N N 15 123.2329005 0 . 1 . . . . . 429 ALA N . 53111 1 429 . 1 . 1 101 101 SER H H 1 8.29361497 0.001908023037 . 1 . . . . . 430 SER H . 53111 1 430 . 1 . 1 101 101 SER C C 13 174.8297823 . . 1 . . . . . 430 SER C . 53111 1 431 . 1 . 1 101 101 SER CA C 13 58.43717466 0.009295205376 . 1 . . . . . 430 SER CA . 53111 1 432 . 1 . 1 101 101 SER CB C 13 63.75183796 0.0526190265 . 1 . . . . . 430 SER CB . 53111 1 433 . 1 . 1 101 101 SER N N 15 114.8305459 0.01751466837 . 1 . . . . . 430 SER N . 53111 1 434 . 1 . 1 102 102 SER H H 1 8.385468974 0.001908992137 . 1 . . . . . 431 SER H . 53111 1 435 . 1 . 1 102 102 SER C C 13 174.5406495 . . 1 . . . . . 431 SER C . 53111 1 436 . 1 . 1 102 102 SER CA C 13 58.4779699 0.06219655344 . 1 . . . . . 431 SER CA . 53111 1 437 . 1 . 1 102 102 SER CB C 13 63.78559901 0.04019654505 . 1 . . . . . 431 SER CB . 53111 1 438 . 1 . 1 102 102 SER N N 15 117.7745312 0.02664465213 . 1 . . . . . 431 SER N . 53111 1 439 . 1 . 1 103 103 SER H H 1 8.326705154 0.002387021494 . 1 . . . . . 432 SER H . 53111 1 440 . 1 . 1 103 103 SER C C 13 174.0770867 . . 1 . . . . . 432 SER C . 53111 1 441 . 1 . 1 103 103 SER CA C 13 58.57152088 0.02972128806 . 1 . . . . . 432 SER CA . 53111 1 442 . 1 . 1 103 103 SER CB C 13 63.67320982 0.006870037542 . 1 . . . . . 432 SER CB . 53111 1 443 . 1 . 1 103 103 SER N N 15 117.48188 0.04928054794 . 1 . . . . . 432 SER N . 53111 1 444 . 1 . 1 104 104 TRP H H 1 8.066384705 0.001216124755 . 1 . . . . . 433 TRP H . 53111 1 445 . 1 . 1 104 104 TRP C C 13 175.6892512 0.004430116432 . 1 . . . . . 433 TRP C . 53111 1 446 . 1 . 1 104 104 TRP CA C 13 57.32836646 0.02448539962 . 1 . . . . . 433 TRP CA . 53111 1 447 . 1 . 1 104 104 TRP CB C 13 29.54638058 0.03777901548 . 1 . . . . . 433 TRP CB . 53111 1 448 . 1 . 1 104 104 TRP N N 15 122.4659379 0.0241849448 . 1 . . . . . 433 TRP N . 53111 1 449 . 1 . 1 105 105 HIS H H 1 7.878472354 0.002144676968 . 1 . . . . . 434 HIS H . 53111 1 450 . 1 . 1 105 105 HIS C C 13 174.4622744 . . 1 . . . . . 434 HIS C . 53111 1 451 . 1 . 1 105 105 HIS CA C 13 55.76178726 0.04940865389 . 1 . . . . . 434 HIS CA . 53111 1 452 . 1 . 1 105 105 HIS CB C 13 30.87443225 0.03102511223 . 1 . . . . . 434 HIS CB . 53111 1 453 . 1 . 1 105 105 HIS N N 15 121.0327219 0.01277717624 . 1 . . . . . 434 HIS N . 53111 1 454 . 1 . 1 106 106 THR H H 1 8.084803569 0.001377847609 . 1 . . . . . 435 THR H . 53111 1 455 . 1 . 1 106 106 THR CA C 13 59.76127711 0.04411694922 . 1 . . . . . 435 THR CA . 53111 1 456 . 1 . 1 106 106 THR CB C 13 69.61068312 . . 1 . . . . . 435 THR CB . 53111 1 457 . 1 . 1 106 106 THR N N 15 118.4482576 0.02518853155 . 1 . . . . . 435 THR N . 53111 1 458 . 1 . 1 107 107 PRO C C 13 176.4757516 0.005885389316 . 1 . . . . . 436 PRO C . 53111 1 459 . 1 . 1 107 107 PRO CA C 13 63.27422397 0.06287869536 . 1 . . . . . 436 PRO CA . 53111 1 460 . 1 . 1 107 107 PRO CB C 13 31.98571077 . . 1 . . . . . 436 PRO CB . 53111 1 461 . 1 . 1 108 108 PHE H H 1 8.360080472 0.002159548209 . 1 . . . . . 437 PHE H . 53111 1 462 . 1 . 1 108 108 PHE C C 13 175.8785413 0.01188717343 . 1 . . . . . 437 PHE C . 53111 1 463 . 1 . 1 108 108 PHE CA C 13 57.76632007 0.06962055321 . 1 . . . . . 437 PHE CA . 53111 1 464 . 1 . 1 108 108 PHE CB C 13 39.5811121 0.04357226355 . 1 . . . . . 437 PHE CB . 53111 1 465 . 1 . 1 108 108 PHE N N 15 120.7311786 0.02694488583 . 1 . . . . . 437 PHE N . 53111 1 466 . 1 . 1 109 109 THR H H 1 8.170736123 0.00143080025 . 1 . . . . . 438 THR H . 53111 1 467 . 1 . 1 109 109 THR C C 13 173.822501 0.006223697294 . 1 . . . . . 438 THR C . 53111 1 468 . 1 . 1 109 109 THR CA C 13 61.34866385 0.06642419373 . 1 . . . . . 438 THR CA . 53111 1 469 . 1 . 1 109 109 THR CB C 13 70.27445454 0.03582969542 . 1 . . . . . 438 THR CB . 53111 1 470 . 1 . 1 109 109 THR N N 15 116.651045 0.03014474274 . 1 . . . . . 438 THR N . 53111 1 471 . 1 . 1 110 110 ALA H H 1 8.468705309 0.001181248128 . 1 . . . . . 439 ALA H . 53111 1 472 . 1 . 1 110 110 ALA C C 13 178.0163245 0.002576980473 . 1 . . . . . 439 ALA C . 53111 1 473 . 1 . 1 110 110 ALA CA C 13 52.77731967 0.03027062243 . 1 . . . . . 439 ALA CA . 53111 1 474 . 1 . 1 110 110 ALA CB C 13 19.06874026 0.01835708126 . 1 . . . . . 439 ALA CB . 53111 1 475 . 1 . 1 110 110 ALA N N 15 126.4351326 0.02147035173 . 1 . . . . . 439 ALA N . 53111 1 476 . 1 . 1 111 111 GLU H H 1 8.508636636 0.001183744968 . 1 . . . . . 440 GLU H . 53111 1 477 . 1 . 1 111 111 GLU C C 13 176.9739537 0.008170494491 . 1 . . . . . 440 GLU C . 53111 1 478 . 1 . 1 111 111 GLU CA C 13 56.96014437 0.009768147976 . 1 . . . . . 440 GLU CA . 53111 1 479 . 1 . 1 111 111 GLU CB C 13 30.163017 0.01044566966 . 1 . . . . . 440 GLU CB . 53111 1 480 . 1 . 1 111 111 GLU N N 15 120.0976657 0.03510615318 . 1 . . . . . 440 GLU N . 53111 1 481 . 1 . 1 112 112 GLU H H 1 8.490972176 0.001874937542 . 1 . . . . . 441 GLU H . 53111 1 482 . 1 . 1 112 112 GLU C C 13 177.3195718 0.00375388986 . 1 . . . . . 441 GLU C . 53111 1 483 . 1 . 1 112 112 GLU CA C 13 57.24507553 0.03105786942 . 1 . . . . . 441 GLU CA . 53111 1 484 . 1 . 1 112 112 GLU CB C 13 30.14294658 0.0263454483 . 1 . . . . . 441 GLU CB . 53111 1 485 . 1 . 1 112 112 GLU N N 15 122.0337418 0.02289590356 . 1 . . . . . 441 GLU N . 53111 1 486 . 1 . 1 113 113 GLY H H 1 8.547127349 0.002116852853 . 1 . . . . . 442 GLY H . 53111 1 487 . 1 . 1 113 113 GLY C C 13 174.2244857 0.008143720891 . 1 . . . . . 442 GLY C . 53111 1 488 . 1 . 1 113 113 GLY CA C 13 45.47887724 0.01210811664 . 1 . . . . . 442 GLY CA . 53111 1 489 . 1 . 1 113 113 GLY N N 15 109.7332928 0.022575696 . 1 . . . . . 442 GLY N . 53111 1 490 . 1 . 1 114 114 GLN H H 1 8.131051388 0.001727726538 . 1 . . . . . 443 GLN H . 53111 1 491 . 1 . 1 114 114 GLN C C 13 175.8914701 0.01088955147 . 1 . . . . . 443 GLN C . 53111 1 492 . 1 . 1 114 114 GLN CA C 13 55.7687735 0.02283258451 . 1 . . . . . 443 GLN CA . 53111 1 493 . 1 . 1 114 114 GLN CB C 13 29.30736524 0.004418090617 . 1 . . . . . 443 GLN CB . 53111 1 494 . 1 . 1 114 114 GLN N N 15 119.5358436 0.0156345204 . 1 . . . . . 443 GLN N . 53111 1 495 . 1 . 1 115 115 LEU H H 1 8.247433601 0.001880268417 . 1 . . . . . 444 LEU H . 53111 1 496 . 1 . 1 115 115 LEU C C 13 177.0342239 0.003743245434 . 1 . . . . . 444 LEU C . 53111 1 497 . 1 . 1 115 115 LEU CA C 13 55.39787458 0.0441929995 . 1 . . . . . 444 LEU CA . 53111 1 498 . 1 . 1 115 115 LEU CB C 13 42.4778388 0.05423306242 . 1 . . . . . 444 LEU CB . 53111 1 499 . 1 . 1 115 115 LEU N N 15 122.9913204 0.01108822671 . 1 . . . . . 444 LEU N . 53111 1 500 . 1 . 1 116 116 TYR H H 1 8.252027864 0.001678415379 . 1 . . . . . 445 TYR H . 53111 1 501 . 1 . 1 116 116 TYR C C 13 176.0000998 0.006230412627 . 1 . . . . . 445 TYR C . 53111 1 502 . 1 . 1 116 116 TYR CA C 13 57.42713501 0.05391661973 . 1 . . . . . 445 TYR CA . 53111 1 503 . 1 . 1 116 116 TYR CB C 13 39.0757164 0.006666729561 . 1 . . . . . 445 TYR CB . 53111 1 504 . 1 . 1 116 116 TYR N N 15 119.6356371 0.01609958013 . 1 . . . . . 445 TYR N . 53111 1 505 . 1 . 1 117 117 GLY H H 1 8.182130109 0.001775316443 . 1 . . . . . 446 GLY H . 53111 1 506 . 1 . 1 117 117 GLY C C 13 178.794458 . . 1 . . . . . 446 GLY C . 53111 1 507 . 1 . 1 117 117 GLY CA C 13 44.62556575 0.008268328384 . 1 . . . . . 446 GLY CA . 53111 1 508 . 1 . 1 117 117 GLY N N 15 109.8167982 0.01722440389 . 1 . . . . . 446 GLY N . 53111 1 509 . 1 . 1 118 118 PRO C C 13 177.5931087 . . 1 . . . . . 447 PRO C . 53111 1 510 . 1 . 1 118 118 PRO CA C 13 63.39144921 0.008289227329 . 1 . . . . . 447 PRO CA . 53111 1 511 . 1 . 1 118 118 PRO CB C 13 32.12156575 0.009145729733 . 1 . . . . . 447 PRO CB . 53111 1 512 . 1 . 1 119 119 SER H H 1 8.640247739 0.001310105336 . 1 . . . . . 448 SER H . 53111 1 513 . 1 . 1 119 119 SER C C 13 175.3276538 . . 1 . . . . . 448 SER C . 53111 1 514 . 1 . 1 119 119 SER CA C 13 58.62974372 0.05227000355 . 1 . . . . . 448 SER CA . 53111 1 515 . 1 . 1 119 119 SER CB C 13 63.73740566 0.07929769631 . 1 . . . . . 448 SER CB . 53111 1 516 . 1 . 1 119 119 SER N N 15 116.1288054 0.02154425176 . 1 . . . . . 448 SER N . 53111 1 517 . 1 . 1 120 120 GLY H H 1 8.501652465 0.003224045996 . 1 . . . . . 449 GLY H . 53111 1 518 . 1 . 1 120 120 GLY C C 13 174.7262348 0.00302660711 . 1 . . . . . 449 GLY C . 53111 1 519 . 1 . 1 120 120 GLY CA C 13 45.38091063 0.00734708982 . 1 . . . . . 449 GLY CA . 53111 1 520 . 1 . 1 120 120 GLY N N 15 110.9194092 0.03590127698 . 1 . . . . . 449 GLY N . 53111 1 521 . 1 . 1 121 121 GLY H H 1 8.376193291 0.001297424789 . 1 . . . . . 450 GLY H . 53111 1 522 . 1 . 1 121 121 GLY C C 13 174.7344694 0.01002430859 . 1 . . . . . 450 GLY C . 53111 1 523 . 1 . 1 121 121 GLY CA C 13 45.25125988 0.03581077641 . 1 . . . . . 450 GLY CA . 53111 1 524 . 1 . 1 121 121 GLY N N 15 108.6309169 0.01671392831 . 1 . . . . . 450 GLY N . 53111 1 525 . 1 . 1 122 122 GLY H H 1 8.496990221 0.001366589917 . 1 . . . . . 451 GLY H . 53111 1 526 . 1 . 1 122 122 GLY C C 13 174.8207481 0.0148133896 . 1 . . . . . 451 GLY C . 53111 1 527 . 1 . 1 122 122 GLY CA C 13 45.20391557 0.01797728163 . 1 . . . . . 451 GLY CA . 53111 1 528 . 1 . 1 122 122 GLY N N 15 108.9563309 0.0191645654 . 1 . . . . . 451 GLY N . 53111 1 529 . 1 . 1 123 123 GLY H H 1 8.420849451 0.002461588309 . 1 . . . . . 452 GLY H . 53111 1 530 . 1 . 1 123 123 GLY C C 13 174.3300516 . . 1 . . . . . 452 GLY C . 53111 1 531 . 1 . 1 123 123 GLY CA C 13 45.10705619 0.02264997057 . 1 . . . . . 452 GLY CA . 53111 1 532 . 1 . 1 123 123 GLY N N 15 108.9281207 0.02600109805 . 1 . . . . . 452 GLY N . 53111 1 533 . 1 . 1 124 124 GLU H H 1 8.556070732 0.001407071113 . 1 . . . . . 453 GLU H . 53111 1 534 . 1 . 1 124 124 GLU C C 13 176.7145892 0.0007290913436 . 1 . . . . . 453 GLU C . 53111 1 535 . 1 . 1 124 124 GLU CA C 13 56.66575699 0.02580823369 . 1 . . . . . 453 GLU CA . 53111 1 536 . 1 . 1 124 124 GLU CB C 13 30.08650449 0.008414004839 . 1 . . . . . 453 GLU CB . 53111 1 537 . 1 . 1 124 124 GLU N N 15 121.034929 0.01712600897 . 1 . . . . . 453 GLU N . 53111 1 538 . 1 . 1 125 125 ALA H H 1 8.567111137 0.001097913085 . 1 . . . . . 454 ALA H . 53111 1 539 . 1 . 1 125 125 ALA C C 13 178.417239 0.005707716484 . 1 . . . . . 454 ALA C . 53111 1 540 . 1 . 1 125 125 ALA CA C 13 52.9559876 0.01640414432 . 1 . . . . . 454 ALA CA . 53111 1 541 . 1 . 1 125 125 ALA CB C 13 18.89260988 0.03042711473 . 1 . . . . . 454 ALA CB . 53111 1 542 . 1 . 1 125 125 ALA N N 15 125.2356629 0.01779569 . 1 . . . . . 454 ALA N . 53111 1 543 . 1 . 1 126 126 GLY H H 1 8.417246839 0.002168330861 . 1 . . . . . 455 GLY H . 53111 1 544 . 1 . 1 126 126 GLY C C 13 173.7694684 0.004989699486 . 1 . . . . . 455 GLY C . 53111 1 545 . 1 . 1 126 126 GLY CA C 13 45.10499409 0.01443278316 . 1 . . . . . 455 GLY CA . 53111 1 546 . 1 . 1 126 126 GLY N N 15 108.2520357 0.02868972954 . 1 . . . . . 455 GLY N . 53111 1 547 . 1 . 1 127 127 ALA H H 1 8.091887678 0.001241944451 . 1 . . . . . 456 ALA H . 53111 1 548 . 1 . 1 127 127 ALA C C 13 177.6667607 0.001682636111 . 1 . . . . . 456 ALA C . 53111 1 549 . 1 . 1 127 127 ALA CA C 13 52.38589707 0.01898450557 . 1 . . . . . 456 ALA CA . 53111 1 550 . 1 . 1 127 127 ALA CB C 13 19.38531166 0.001352378653 . 1 . . . . . 456 ALA CB . 53111 1 551 . 1 . 1 127 127 ALA N N 15 123.6213817 0.02061388736 . 1 . . . . . 456 ALA N . 53111 1 552 . 1 . 1 128 128 VAL H H 1 8.220119532 0.001584319435 . 1 . . . . . 457 VAL H . 53111 1 553 . 1 . 1 128 128 VAL C C 13 175.577064 0.003168785234 . 1 . . . . . 457 VAL C . 53111 1 554 . 1 . 1 128 128 VAL CA C 13 61.89500818 0.04167575061 . 1 . . . . . 457 VAL CA . 53111 1 555 . 1 . 1 128 128 VAL CB C 13 32.93901052 0.03419693799 . 1 . . . . . 457 VAL CB . 53111 1 556 . 1 . 1 128 128 VAL N N 15 119.6995323 0.02017608251 . 1 . . . . . 457 VAL N . 53111 1 557 . 1 . 1 129 129 ALA H H 1 8.467026762 0.001434626175 . 1 . . . . . 458 ALA H . 53111 1 558 . 1 . 1 129 129 ALA C C 13 175.3776729 . . 1 . . . . . 458 ALA C . 53111 1 559 . 1 . 1 129 129 ALA CA C 13 50.35183131 0.004860004646 . 1 . . . . . 458 ALA CA . 53111 1 560 . 1 . 1 129 129 ALA CB C 13 18.1986561 . . 1 . . . . . 458 ALA CB . 53111 1 561 . 1 . 1 129 129 ALA N N 15 129.460465 0.02469237068 . 1 . . . . . 458 ALA N . 53111 1 562 . 1 . 1 131 131 TYR H H 1 8.276243318 . . 1 . . . . . 460 TYR H . 53111 1 563 . 1 . 1 131 131 TYR C C 13 176.4870844 . . 1 . . . . . 460 TYR C . 53111 1 564 . 1 . 1 131 131 TYR CA C 13 58.23378162 . . 1 . . . . . 460 TYR CA . 53111 1 565 . 1 . 1 131 131 TYR CB C 13 38.52182621 . . 1 . . . . . 460 TYR CB . 53111 1 566 . 1 . 1 131 131 TYR N N 15 120.3323404 . . 1 . . . . . 460 TYR N . 53111 1 567 . 1 . 1 132 132 GLY H H 1 8.272354406 0.00431579304 . 1 . . . . . 461 GLY H . 53111 1 568 . 1 . 1 132 132 GLY C C 13 173.4749709 . . 1 . . . . . 461 GLY C . 53111 1 569 . 1 . 1 132 132 GLY CA C 13 45.10747278 0.02040204578 . 1 . . . . . 461 GLY CA . 53111 1 570 . 1 . 1 132 132 GLY N N 15 111.3017013 0.02661802758 . 1 . . . . . 461 GLY N . 53111 1 571 . 1 . 1 133 133 TYR H H 1 7.97734062 0.0007644819057 . 1 . . . . . 462 TYR H . 53111 1 572 . 1 . 1 133 133 TYR C C 13 175.6676869 . . 1 . . . . . 462 TYR C . 53111 1 573 . 1 . 1 133 133 TYR CA C 13 58.10106723 0.007978421035 . 1 . . . . . 462 TYR CA . 53111 1 574 . 1 . 1 133 133 TYR CB C 13 39.2245184 . . 1 . . . . . 462 TYR CB . 53111 1 575 . 1 . 1 133 133 TYR N N 15 120.2611378 0.02382686544 . 1 . . . . . 462 TYR N . 53111 1 576 . 1 . 1 134 134 THR H H 1 8.115024468 0.002875409384 . 1 . . . . . 463 THR H . 53111 1 577 . 1 . 1 134 134 THR C C 13 173.289191 . . 1 . . . . . 463 THR C . 53111 1 578 . 1 . 1 134 134 THR CA C 13 61.43165989 0.07996411329 . 1 . . . . . 463 THR CA . 53111 1 579 . 1 . 1 134 134 THR CB C 13 70.2018464 0.04361377327 . 1 . . . . . 463 THR CB . 53111 1 580 . 1 . 1 134 134 THR N N 15 118.1417678 0.02345079361 . 1 . . . . . 463 THR N . 53111 1 581 . 1 . 1 135 135 ARG H H 1 8.412552482 0.001459300877 . 1 . . . . . 464 ARG H . 53111 1 582 . 1 . 1 135 135 ARG C C 13 173.6396443 . . 1 . . . . . 464 ARG C . 53111 1 583 . 1 . 1 135 135 ARG CA C 13 54.0135923 0.004307441477 . 1 . . . . . 464 ARG CA . 53111 1 584 . 1 . 1 135 135 ARG CB C 13 30.20501049 . . 1 . . . . . 464 ARG CB . 53111 1 585 . 1 . 1 135 135 ARG N N 15 125.4230906 0.01268205558 . 1 . . . . . 464 ARG N . 53111 1 586 . 1 . 1 137 137 PRO C C 13 176.8669277 . . 1 . . . . . 466 PRO C . 53111 1 587 . 1 . 1 137 137 PRO CA C 13 63.15800874 0.01295352591 . 1 . . . . . 466 PRO CA . 53111 1 588 . 1 . 1 137 137 PRO CB C 13 31.97782488 0.01502124193 . 1 . . . . . 466 PRO CB . 53111 1 589 . 1 . 1 138 138 GLN H H 1 8.614264438 0.00167048832 . 1 . . . . . 467 GLN H . 53111 1 590 . 1 . 1 138 138 GLN C C 13 176.456379 0.008590827402 . 1 . . . . . 467 GLN C . 53111 1 591 . 1 . 1 138 138 GLN CA C 13 55.89836576 0.02181132742 . 1 . . . . . 467 GLN CA . 53111 1 592 . 1 . 1 138 138 GLN CB C 13 29.83647005 0.04103197123 . 1 . . . . . 467 GLN CB . 53111 1 593 . 1 . 1 138 138 GLN N N 15 120.5586346 0.01861966797 . 1 . . . . . 467 GLN N . 53111 1 594 . 1 . 1 139 139 GLY H H 1 8.527796733 0.002201403143 . 1 . . . . . 468 GLY H . 53111 1 595 . 1 . 1 139 139 GLY C C 13 173.9684926 0.002963674248 . 1 . . . . . 468 GLY C . 53111 1 596 . 1 . 1 139 139 GLY CA C 13 45.14895551 0.02667084249 . 1 . . . . . 468 GLY CA . 53111 1 597 . 1 . 1 139 139 GLY N N 15 110.3376701 0.0164240804 . 1 . . . . . 468 GLY N . 53111 1 598 . 1 . 1 140 140 LEU H H 1 8.271998135 0.001715068975 . 1 . . . . . 469 LEU H . 53111 1 599 . 1 . 1 140 140 LEU C C 13 177.3535357 0.01058640573 . 1 . . . . . 469 LEU C . 53111 1 600 . 1 . 1 140 140 LEU CA C 13 54.96278351 0.03175457642 . 1 . . . . . 469 LEU CA . 53111 1 601 . 1 . 1 140 140 LEU CB C 13 42.49977874 0.06006330721 . 1 . . . . . 469 LEU CB . 53111 1 602 . 1 . 1 140 140 LEU N N 15 121.8466689 0.02746773018 . 1 . . . . . 469 LEU N . 53111 1 603 . 1 . 1 141 141 ALA H H 1 8.495420454 0.001212662959 . 1 . . . . . 470 ALA H . 53111 1 604 . 1 . 1 141 141 ALA C C 13 178.3770687 0.008813345786 . 1 . . . . . 470 ALA C . 53111 1 605 . 1 . 1 141 141 ALA CA C 13 52.77167167 0.004243187906 . 1 . . . . . 470 ALA CA . 53111 1 606 . 1 . 1 141 141 ALA CB C 13 18.94753429 0.002379095998 . 1 . . . . . 470 ALA CB . 53111 1 607 . 1 . 1 141 141 ALA N N 15 124.9268564 0.02008298962 . 1 . . . . . 470 ALA N . 53111 1 608 . 1 . 1 142 142 GLY H H 1 8.572089628 0.001966634573 . 1 . . . . . 471 GLY H . 53111 1 609 . 1 . 1 142 142 GLY C C 13 174.2828796 0.002318800218 . 1 . . . . . 471 GLY C . 53111 1 610 . 1 . 1 142 142 GLY CA C 13 45.27679415 0.04649348075 . 1 . . . . . 471 GLY CA . 53111 1 611 . 1 . 1 142 142 GLY N N 15 108.9627137 0.008319619047 . 1 . . . . . 471 GLY N . 53111 1 612 . 1 . 1 143 143 GLN H H 1 8.282143757 0.001371127748 . 1 . . . . . 472 GLN H . 53111 1 613 . 1 . 1 143 143 GLN C C 13 176.2434976 0.005153263862 . 1 . . . . . 472 GLN C . 53111 1 614 . 1 . 1 143 143 GLN CA C 13 55.62889307 0.02742716358 . 1 . . . . . 472 GLN CA . 53111 1 615 . 1 . 1 143 143 GLN CB C 13 29.53020963 0.03186541973 . 1 . . . . . 472 GLN CB . 53111 1 616 . 1 . 1 143 143 GLN N N 15 119.6376461 0.0174966306 . 1 . . . . . 472 GLN N . 53111 1 617 . 1 . 1 144 144 GLU H H 1 8.797510732 0.001687553574 . 1 . . . . . 473 GLU H . 53111 1 618 . 1 . 1 144 144 GLU C C 13 176.8239867 0.006536979089 . 1 . . . . . 473 GLU C . 53111 1 619 . 1 . 1 144 144 GLU CA C 13 57.21362152 0.0337612648 . 1 . . . . . 473 GLU CA . 53111 1 620 . 1 . 1 144 144 GLU CB C 13 29.93043082 0.06259219328 . 1 . . . . . 473 GLU CB . 53111 1 621 . 1 . 1 144 144 GLU N N 15 122.3600601 0.01281960084 . 1 . . . . . 473 GLU N . 53111 1 622 . 1 . 1 145 145 SER H H 1 8.423081843 0.001873786689 . 1 . . . . . 474 SER H . 53111 1 623 . 1 . 1 145 145 SER C C 13 174.0568492 0.002695169333 . 1 . . . . . 474 SER C . 53111 1 624 . 1 . 1 145 145 SER CA C 13 58.54209466 0.02836247743 . 1 . . . . . 474 SER CA . 53111 1 625 . 1 . 1 145 145 SER CB C 13 63.87100819 0.02647535636 . 1 . . . . . 474 SER CB . 53111 1 626 . 1 . 1 145 145 SER N N 15 116.1318956 0.02598823883 . 1 . . . . . 474 SER N . 53111 1 627 . 1 . 1 146 146 ASP H H 1 8.362335087 0.00194146416 . 1 . . . . . 475 ASP H . 53111 1 628 . 1 . 1 146 146 ASP C C 13 175.9499769 0.006476985822 . 1 . . . . . 475 ASP C . 53111 1 629 . 1 . 1 146 146 ASP CA C 13 54.30453142 0.01263774713 . 1 . . . . . 475 ASP CA . 53111 1 630 . 1 . 1 146 146 ASP CB C 13 40.9276654 0.0008465892924 . 1 . . . . . 475 ASP CB . 53111 1 631 . 1 . 1 146 146 ASP N N 15 122.0832591 0.01950961056 . 1 . . . . . 475 ASP N . 53111 1 632 . 1 . 1 147 147 PHE H H 1 8.23653757 0.001522249603 . 1 . . . . . 476 PHE H . 53111 1 633 . 1 . 1 147 147 PHE C C 13 175.6736837 0.01208907145 . 1 . . . . . 476 PHE C . 53111 1 634 . 1 . 1 147 147 PHE CA C 13 57.93962393 0.04279561404 . 1 . . . . . 476 PHE CA . 53111 1 635 . 1 . 1 147 147 PHE CB C 13 39.51278173 0.02890094671 . 1 . . . . . 476 PHE CB . 53111 1 636 . 1 . 1 147 147 PHE N N 15 120.7380936 0.0195157102 . 1 . . . . . 476 PHE N . 53111 1 637 . 1 . 1 148 148 THR H H 1 8.114763975 0.001098111795 . 1 . . . . . 477 THR H . 53111 1 638 . 1 . 1 148 148 THR C C 13 173.4509848 0.004175351272 . 1 . . . . . 477 THR C . 53111 1 639 . 1 . 1 148 148 THR CA C 13 61.71662087 0.03474360886 . 1 . . . . . 477 THR CA . 53111 1 640 . 1 . 1 148 148 THR CB C 13 69.96292306 0.04058513913 . 1 . . . . . 477 THR CB . 53111 1 641 . 1 . 1 148 148 THR N N 15 117.0403703 0.0207522472 . 1 . . . . . 477 THR N . 53111 1 642 . 1 . 1 149 149 ALA H H 1 8.360651101 0.001996451753 . 1 . . . . . 478 ALA H . 53111 1 643 . 1 . 1 149 149 ALA C C 13 175.4331704 . . 1 . . . . . 478 ALA C . 53111 1 644 . 1 . 1 149 149 ALA CA C 13 50.62174128 0.01263058285 . 1 . . . . . 478 ALA CA . 53111 1 645 . 1 . 1 149 149 ALA CB C 13 18.22932411 . . 1 . . . . . 478 ALA CB . 53111 1 646 . 1 . 1 149 149 ALA N N 15 128.4642673 0.02669352143 . 1 . . . . . 478 ALA N . 53111 1 647 . 1 . 1 150 150 PRO C C 13 176.5042114 0.00288201767 . 1 . . . . . 479 PRO C . 53111 1 648 . 1 . 1 150 150 PRO CA C 13 63.14350673 0.0454031413 . 1 . . . . . 479 PRO CA . 53111 1 649 . 1 . 1 150 150 PRO CB C 13 32.06170961 . . 1 . . . . . 479 PRO CB . 53111 1 650 . 1 . 1 151 151 ASP H H 1 8.469466583 0.001982486764 . 1 . . . . . 480 ASP H . 53111 1 651 . 1 . 1 151 151 ASP C C 13 176.052437 0.009191725009 . 1 . . . . . 480 ASP C . 53111 1 652 . 1 . 1 151 151 ASP CA C 13 54.43611895 0.03739243169 . 1 . . . . . 480 ASP CA . 53111 1 653 . 1 . 1 151 151 ASP CB C 13 40.98988447 0.05117990963 . 1 . . . . . 480 ASP CB . 53111 1 654 . 1 . 1 151 151 ASP N N 15 119.9110217 0.04541156373 . 1 . . . . . 480 ASP N . 53111 1 655 . 1 . 1 152 152 VAL H H 1 7.976795209 0.001895045523 . 1 . . . . . 481 VAL H . 53111 1 656 . 1 . 1 152 152 VAL C C 13 175.1368439 0.005880486063 . 1 . . . . . 481 VAL C . 53111 1 657 . 1 . 1 152 152 VAL CA C 13 62.19445249 0.04147921905 . 1 . . . . . 481 VAL CA . 53111 1 658 . 1 . 1 152 152 VAL CB C 13 33.03696116 . . 1 . . . . . 481 VAL CB . 53111 1 659 . 1 . 1 152 152 VAL N N 15 119.6339556 0.01837612994 . 1 . . . . . 481 VAL N . 53111 1 660 . 1 . 1 153 153 TRP H H 1 8.277915268 0.0001329832389 . 1 . . . . . 482 TRP H . 53111 1 661 . 1 . 1 153 153 TRP C C 13 174.9337752 0.003555761868 . 1 . . . . . 482 TRP C . 53111 1 662 . 1 . 1 153 153 TRP CA C 13 57.32750487 . . 1 . . . . . 482 TRP CA . 53111 1 663 . 1 . 1 153 153 TRP N N 15 124.9541761 0.01392131329 . 1 . . . . . 482 TRP N . 53111 1 664 . 1 . 1 154 154 TYR H H 1 7.834978965 0.001480706767 . 1 . . . . . 483 TYR H . 53111 1 665 . 1 . 1 154 154 TYR C C 13 173.1499051 . . 1 . . . . . 483 TYR C . 53111 1 666 . 1 . 1 154 154 TYR CA C 13 55.26273268 . . 1 . . . . . 483 TYR CA . 53111 1 667 . 1 . 1 154 154 TYR CB C 13 38.64352917 . . 1 . . . . . 483 TYR CB . 53111 1 668 . 1 . 1 154 154 TYR N N 15 123.5055263 0.008500455853 . 1 . . . . . 483 TYR N . 53111 1 669 . 1 . 1 155 155 PRO C C 13 177.5863896 . . 1 . . . . . 484 PRO C . 53111 1 670 . 1 . 1 156 156 GLY H H 1 8.298219534 0.001791561603 . 1 . . . . . 485 GLY H . 53111 1 671 . 1 . 1 156 156 GLY C C 13 174.7936771 . . 1 . . . . . 485 GLY C . 53111 1 672 . 1 . 1 156 156 GLY CA C 13 45.3006101 0.04000171402 . 1 . . . . . 485 GLY CA . 53111 1 673 . 1 . 1 156 156 GLY N N 15 109.3965052 0.01277757121 . 1 . . . . . 485 GLY N . 53111 1 674 . 1 . 1 157 157 GLY H H 1 8.206014699 0.001730419381 . 1 . . . . . 486 GLY H . 53111 1 675 . 1 . 1 157 157 GLY C C 13 173.8891223 0.02013371197 . 1 . . . . . 486 GLY C . 53111 1 676 . 1 . 1 157 157 GLY CA C 13 45.180 . . 1 . . . . . 486 GLY CA . 53111 1 677 . 1 . 1 157 157 GLY N N 15 108.5946278 0.04051625945 . 1 . . . . . 486 GLY N . 53111 1 678 . 1 . 1 158 158 MET H H 1 8.285390006 0.001469033517 . 1 . . . . . 487 MET H . 53111 1 679 . 1 . 1 158 158 MET C C 13 176.1648314 . . 1 . . . . . 487 MET C . 53111 1 680 . 1 . 1 158 158 MET CA C 13 55.5861512 . . 1 . . . . . 487 MET CA . 53111 1 681 . 1 . 1 158 158 MET CB C 13 32.96246119 . . 1 . . . . . 487 MET CB . 53111 1 682 . 1 . 1 158 158 MET N N 15 119.7588867 0.009146211729 . 1 . . . . . 487 MET N . 53111 1 683 . 1 . 1 159 159 VAL H H 1 8.258189377 0.0008909610669 . 1 . . . . . 488 VAL H . 53111 1 684 . 1 . 1 159 159 VAL C C 13 175.9887227 0.004079361257 . 1 . . . . . 488 VAL C . 53111 1 685 . 1 . 1 159 159 VAL CA C 13 62.48010913 . . 1 . . . . . 488 VAL CA . 53111 1 686 . 1 . 1 159 159 VAL CB C 13 32.83271529 0.0269206354 . 1 . . . . . 488 VAL CB . 53111 1 687 . 1 . 1 159 159 VAL N N 15 121.4946539 0.02913263959 . 1 . . . . . 488 VAL N . 53111 1 688 . 1 . 1 160 160 SER H H 1 8.432259261 0.00253692512 . 1 . . . . . 489 SER H . 53111 1 689 . 1 . 1 160 160 SER C C 13 174.2626343 . . 1 . . . . . 489 SER C . 53111 1 690 . 1 . 1 160 160 SER CA C 13 58.13243725 0.04734430312 . 1 . . . . . 489 SER CA . 53111 1 691 . 1 . 1 160 160 SER CB C 13 63.72012325 . . 1 . . . . . 489 SER CB . 53111 1 692 . 1 . 1 160 160 SER N N 15 119.6132608 0.0306161705 . 1 . . . . . 489 SER N . 53111 1 693 . 1 . 1 161 161 ARG H H 1 8.489078092 0.003800635776 . 1 . . . . . 490 ARG H . 53111 1 694 . 1 . 1 161 161 ARG C C 13 175.9539624 . . 1 . . . . . 490 ARG C . 53111 1 695 . 1 . 1 161 161 ARG CA C 13 55.99869745 . . 1 . . . . . 490 ARG CA . 53111 1 696 . 1 . 1 161 161 ARG CB C 13 30.86921778 . . 1 . . . . . 490 ARG CB . 53111 1 697 . 1 . 1 161 161 ARG N N 15 123.5730839 0.02157167355 . 1 . . . . . 490 ARG N . 53111 1 698 . 1 . 1 162 162 VAL H H 1 8.210269123 0.002180699737 . 1 . . . . . 491 VAL H . 53111 1 699 . 1 . 1 162 162 VAL C C 13 174.3170075 . . 1 . . . . . 491 VAL C . 53111 1 700 . 1 . 1 162 162 VAL CA C 13 59.94335725 . . 1 . . . . . 491 VAL CA . 53111 1 701 . 1 . 1 162 162 VAL CB C 13 32.50033851 . . 1 . . . . . 491 VAL CB . 53111 1 702 . 1 . 1 162 162 VAL N N 15 122.4934785 0.021507878 . 1 . . . . . 491 VAL N . 53111 1 703 . 1 . 1 163 163 PRO C C 13 176.138246 . . 1 . . . . . 492 PRO C . 53111 1 704 . 1 . 1 163 163 PRO CA C 13 63.07886285 0.02421540412 . 1 . . . . . 492 PRO CA . 53111 1 705 . 1 . 1 163 163 PRO CB C 13 31.9561239 . . 1 . . . . . 492 PRO CB . 53111 1 706 . 1 . 1 164 164 TYR H H 1 8.191677715 0.003243267133 . 1 . . . . . 493 TYR H . 53111 1 707 . 1 . 1 164 164 TYR C C 13 174.0120558 . . 1 . . . . . 493 TYR C . 53111 1 708 . 1 . 1 164 164 TYR N N 15 121.5986108 0.01870953313 . 1 . . . . . 493 TYR N . 53111 1 709 . 1 . 1 165 165 PRO C C 13 176.3857027 . . 1 . . . . . 494 PRO C . 53111 1 710 . 1 . 1 165 165 PRO CA C 13 62.9488712 0.03369639256 . 1 . . . . . 494 PRO CA . 53111 1 711 . 1 . 1 165 165 PRO CB C 13 31.93738881 . . 1 . . . . . 494 PRO CB . 53111 1 712 . 1 . 1 166 166 SER H H 1 8.484231358 0.002608897568 . 1 . . . . . 495 SER H . 53111 1 713 . 1 . 1 166 166 SER CA C 13 56.44565031 0.02352687187 . 1 . . . . . 495 SER CA . 53111 1 714 . 1 . 1 166 166 SER CB C 13 63.41696858 . . 1 . . . . . 495 SER CB . 53111 1 715 . 1 . 1 166 166 SER N N 15 117.8808033 0.02890737817 . 1 . . . . . 495 SER N . 53111 1 716 . 1 . 1 167 167 PRO C C 13 177.2511823 . . 1 . . . . . 496 PRO C . 53111 1 717 . 1 . 1 167 167 PRO CA C 13 63.67182229 . . 1 . . . . . 496 PRO CA . 53111 1 718 . 1 . 1 167 167 PRO CB C 13 32.19670498 . . 1 . . . . . 496 PRO CB . 53111 1 719 . 1 . 1 168 168 THR H H 1 8.255637673 0.005535319666 . 1 . . . . . 497 THR H . 53111 1 720 . 1 . 1 168 168 THR C C 13 174.6269935 . . 1 . . . . . 497 THR C . 53111 1 721 . 1 . 1 168 168 THR CA C 13 62.00690261 0.02178046113 . 1 . . . . . 497 THR CA . 53111 1 722 . 1 . 1 168 168 THR CB C 13 69.47035208 0.007074760974 . 1 . . . . . 497 THR CB . 53111 1 723 . 1 . 1 168 168 THR N N 15 113.1308649 0.06607431292 . 1 . . . . . 497 THR N . 53111 1 724 . 1 . 1 169 169 SER H H 1 8.287751439 0.00406221368 . 1 . . . . . 498 SER H . 53111 1 725 . 1 . 1 169 169 SER C C 13 174.3776002 . . 1 . . . . . 498 SER C . 53111 1 726 . 1 . 1 169 169 SER CA C 13 58.4094751 0.07948399247 . 1 . . . . . 498 SER CA . 53111 1 727 . 1 . 1 169 169 SER CB C 13 63.89847622 0.05087300641 . 1 . . . . . 498 SER CB . 53111 1 728 . 1 . 1 169 169 SER N N 15 118.3683492 0.03755390004 . 1 . . . . . 498 SER N . 53111 1 729 . 1 . 1 170 170 VAL H H 1 8.262739286 0.002139726032 . 1 . . . . . 499 VAL H . 53111 1 730 . 1 . 1 170 170 VAL C C 13 176.1686491 0.0004039528455 . 1 . . . . . 499 VAL C . 53111 1 731 . 1 . 1 170 170 VAL CA C 13 62.40907365 0.06616806654 . 1 . . . . . 499 VAL CA . 53111 1 732 . 1 . 1 170 170 VAL CB C 13 32.71076895 0.0189183654 . 1 . . . . . 499 VAL CB . 53111 1 733 . 1 . 1 170 170 VAL N N 15 122.2467062 0.06433625134 . 1 . . . . . 499 VAL N . 53111 1 734 . 1 . 1 171 171 LYS H H 1 8.511460635 0.001816066752 . 1 . . . . . 500 LYS H . 53111 1 735 . 1 . 1 171 171 LYS C C 13 176.6191118 0.0009981521878 . 1 . . . . . 500 LYS C . 53111 1 736 . 1 . 1 171 171 LYS CA C 13 56.52463424 0.04418926953 . 1 . . . . . 500 LYS CA . 53111 1 737 . 1 . 1 171 171 LYS CB C 13 32.88032284 0.06986509084 . 1 . . . . . 500 LYS CB . 53111 1 738 . 1 . 1 171 171 LYS N N 15 125.7200557 0.0244959462 . 1 . . . . . 500 LYS N . 53111 1 739 . 1 . 1 172 172 SER H H 1 8.464052923 0.00244393912 . 1 . . . . . 501 SER H . 53111 1 740 . 1 . 1 172 172 SER C C 13 174.6321596 . . 1 . . . . . 501 SER C . 53111 1 741 . 1 . 1 172 172 SER CA C 13 58.54053791 0.03992676144 . 1 . . . . . 501 SER CA . 53111 1 742 . 1 . 1 172 172 SER CB C 13 63.7185129 0.01378793244 . 1 . . . . . 501 SER CB . 53111 1 743 . 1 . 1 172 172 SER N N 15 117.7015473 0.01774433501 . 1 . . . . . 501 SER N . 53111 1 744 . 1 . 1 173 173 GLU H H 1 8.629773951 0.001677466487 . 1 . . . . . 502 GLU H . 53111 1 745 . 1 . 1 173 173 GLU C C 13 176.419909 0.008653871543 . 1 . . . . . 502 GLU C . 53111 1 746 . 1 . 1 173 173 GLU CA C 13 56.64005655 0.03002906912 . 1 . . . . . 502 GLU CA . 53111 1 747 . 1 . 1 173 173 GLU CB C 13 30.187334 0.05069240765 . 1 . . . . . 502 GLU CB . 53111 1 748 . 1 . 1 173 173 GLU N N 15 123.0278405 0.01720357098 . 1 . . . . . 502 GLU N . 53111 1 749 . 1 . 1 174 174 MET H H 1 8.449543165 0.002519239542 . 1 . . . . . 503 MET H . 53111 1 750 . 1 . 1 174 174 MET C C 13 176.2336536 0.006295056147 . 1 . . . . . 503 MET C . 53111 1 751 . 1 . 1 174 174 MET CA C 13 55.35312058 0.034361545 . 1 . . . . . 503 MET CA . 53111 1 752 . 1 . 1 174 174 MET CB C 13 33.02779576 0.02089613943 . 1 . . . . . 503 MET CB . 53111 1 753 . 1 . 1 174 174 MET N N 15 120.569553 0.02122014329 . 1 . . . . . 503 MET N . 53111 1 754 . 1 . 1 175 175 GLY H H 1 8.007625761 0.001614565073 . 1 . . . . . 504 GLY H . 53111 1 755 . 1 . 1 175 175 GLY C C 13 178.7628082 . . 1 . . . . . 504 GLY C . 53111 1 756 . 1 . 1 175 175 GLY CA C 13 44.68851677 0.002658450164 . 1 . . . . . 504 GLY CA . 53111 1 757 . 1 . 1 175 175 GLY N N 15 109.6964113 0.009950401818 . 1 . . . . . 504 GLY N . 53111 1 758 . 1 . 1 176 176 PRO C C 13 176.7283272 . . 1 . . . . . 505 PRO C . 53111 1 759 . 1 . 1 176 176 PRO CA C 13 63.41014363 0.009581161863 . 1 . . . . . 505 PRO CA . 53111 1 760 . 1 . 1 176 176 PRO CB C 13 31.6488561 . . 1 . . . . . 505 PRO CB . 53111 1 761 . 1 . 1 177 177 TRP H H 1 8.019780723 0.004995502805 . 1 . . . . . 506 TRP H . 53111 1 762 . 1 . 1 177 177 TRP C C 13 176.3490783 . . 1 . . . . . 506 TRP C . 53111 1 763 . 1 . 1 177 177 TRP CA C 13 57.77275563 . . 1 . . . . . 506 TRP CA . 53111 1 764 . 1 . 1 177 177 TRP CB C 13 28.84359159 0.04434719456 . 1 . . . . . 506 TRP CB . 53111 1 765 . 1 . 1 177 177 TRP N N 15 120.2229586 0.0256416285 . 1 . . . . . 506 TRP N . 53111 1 766 . 1 . 1 178 178 MET H H 1 7.850094737 0.001794852884 . 1 . . . . . 507 MET H . 53111 1 767 . 1 . 1 178 178 MET C C 13 175.726557 . . 1 . . . . . 507 MET C . 53111 1 768 . 1 . 1 178 178 MET CA C 13 55.36279799 0.06275933248 . 1 . . . . . 507 MET CA . 53111 1 769 . 1 . 1 178 178 MET CB C 13 32.82172176 . . 1 . . . . . 507 MET CB . 53111 1 770 . 1 . 1 178 178 MET N N 15 121.9410063 0.02679349294 . 1 . . . . . 507 MET N . 53111 1 771 . 1 . 1 179 179 ASP H H 1 8.225461526 0.002216573106 . 1 . . . . . 508 ASP H . 53111 1 772 . 1 . 1 179 179 ASP C C 13 176.3614542 0.02062005893 . 1 . . . . . 508 ASP C . 53111 1 773 . 1 . 1 179 179 ASP CA C 13 54.82157685 0.004156218092 . 1 . . . . . 508 ASP CA . 53111 1 774 . 1 . 1 179 179 ASP CB C 13 41.0448558 . . 1 . . . . . 508 ASP CB . 53111 1 775 . 1 . 1 179 179 ASP N N 15 121.2191383 0.03480012485 . 1 . . . . . 508 ASP N . 53111 1 776 . 1 . 1 180 180 SER H H 1 8.158875204 0.002258340916 . 1 . . . . . 509 SER H . 53111 1 777 . 1 . 1 180 180 SER CA C 13 58.61018537 0.06615544362 . 1 . . . . . 509 SER CA . 53111 1 778 . 1 . 1 180 180 SER CB C 13 63.66649357 . . 1 . . . . . 509 SER CB . 53111 1 779 . 1 . 1 180 180 SER N N 15 115.0527092 0.02428539341 . 1 . . . . . 509 SER N . 53111 1 780 . 1 . 1 181 181 TYR H H 1 8.259254008 . . 1 . . . . . 510 TYR H . 53111 1 781 . 1 . 1 181 181 TYR N N 15 122.4408056 . . 1 . . . . . 510 TYR N . 53111 1 782 . 1 . 1 182 182 SER H H 1 8.281086743 . . 1 . . . . . 511 SER H . 53111 1 783 . 1 . 1 182 182 SER C C 13 174.1594953 . . 1 . . . . . 511 SER C . 53111 1 784 . 1 . 1 182 182 SER N N 15 118.396359 . . 1 . . . . . 511 SER N . 53111 1 785 . 1 . 1 183 183 GLY H H 1 7.433135555 0.001794411392 . 1 . . . . . 512 GLY H . 53111 1 786 . 1 . 1 183 183 GLY CA C 13 44.7880591 . . 1 . . . . . 512 GLY CA . 53111 1 787 . 1 . 1 183 183 GLY N N 15 110.0318063 0.02170838119 . 1 . . . . . 512 GLY N . 53111 1 788 . 1 . 1 184 184 PRO C C 13 177.104905 . . 1 . . . . . 513 PRO C . 53111 1 789 . 1 . 1 184 184 PRO CA C 13 63.58900807 0.05617863909 . 1 . . . . . 513 PRO CA . 53111 1 790 . 1 . 1 184 184 PRO CB C 13 31.90773676 . . 1 . . . . . 513 PRO CB . 53111 1 791 . 1 . 1 185 185 TYR H H 1 8.385467724 0.001251336693 . 1 . . . . . 514 TYR H . 53111 1 792 . 1 . 1 185 185 TYR C C 13 176.4492445 0.004167084482 . 1 . . . . . 514 TYR C . 53111 1 793 . 1 . 1 185 185 TYR CA C 13 57.7428432 0.03638529791 . 1 . . . . . 514 TYR CA . 53111 1 794 . 1 . 1 185 185 TYR CB C 13 38.39275746 0.01149105583 . 1 . . . . . 514 TYR CB . 53111 1 795 . 1 . 1 185 185 TYR N N 15 119.5374963 0.03460029508 . 1 . . . . . 514 TYR N . 53111 1 796 . 1 . 1 186 186 GLY H H 1 8.128076765 0.002957200463 . 1 . . . . . 515 GLY H . 53111 1 797 . 1 . 1 186 186 GLY C C 13 173.7799458 0.01079620016 . 1 . . . . . 515 GLY C . 53111 1 798 . 1 . 1 186 186 GLY CA C 13 45.48677404 0.00530463887 . 1 . . . . . 515 GLY CA . 53111 1 799 . 1 . 1 186 186 GLY N N 15 109.8240591 0.0153697656 . 1 . . . . . 515 GLY N . 53111 1 800 . 1 . 1 187 187 ASP H H 1 8.27603765 0.0000047 . 1 . . . . . 516 ASP H . 53111 1 801 . 1 . 1 187 187 ASP C C 13 176.6195352 . . 1 . . . . . 516 ASP C . 53111 1 802 . 1 . 1 187 187 ASP CA C 13 54.28292944 . . 1 . . . . . 516 ASP CA . 53111 1 803 . 1 . 1 187 187 ASP CB C 13 40.97998932 . . 1 . . . . . 516 ASP CB . 53111 1 804 . 1 . 1 187 187 ASP N N 15 120.3988754 0.01382515227 . 1 . . . . . 516 ASP N . 53111 1 805 . 1 . 1 188 188 MET H H 1 8.446690959 0.002383889353 . 1 . . . . . 517 MET H . 53111 1 806 . 1 . 1 188 188 MET C C 13 176.4592069 0.003351000398 . 1 . . . . . 517 MET C . 53111 1 807 . 1 . 1 188 188 MET CA C 13 55.86116006 0.01438833941 . 1 . . . . . 517 MET CA . 53111 1 808 . 1 . 1 188 188 MET CB C 13 32.30277886 0.0006698094068 . 1 . . . . . 517 MET CB . 53111 1 809 . 1 . 1 188 188 MET N N 15 121.425657 0.03093639968 . 1 . . . . . 517 MET N . 53111 1 810 . 1 . 1 189 189 ARG H H 1 8.378909271 0.001899185583 . 1 . . . . . 518 ARG H . 53111 1 811 . 1 . 1 189 189 ARG C C 13 176.4545594 . . 1 . . . . . 518 ARG C . 53111 1 812 . 1 . 1 189 189 ARG CA C 13 56.55420451 0.02783202836 . 1 . . . . . 518 ARG CA . 53111 1 813 . 1 . 1 189 189 ARG CB C 13 30.38672625 . . 1 . . . . . 518 ARG CB . 53111 1 814 . 1 . 1 189 189 ARG N N 15 121.5963171 0.02013760486 . 1 . . . . . 518 ARG N . 53111 1 815 . 1 . 1 190 190 LEU H H 1 8.286310274 . . 1 . . . . . 519 LEU H . 53111 1 816 . 1 . 1 190 190 LEU C C 13 177.6725295 0.002393873749 . 1 . . . . . 519 LEU C . 53111 1 817 . 1 . 1 190 190 LEU CA C 13 55.26996165 0.01899822313 . 1 . . . . . 519 LEU CA . 53111 1 818 . 1 . 1 190 190 LEU CB C 13 42.17278784 . . 1 . . . . . 519 LEU CB . 53111 1 819 . 1 . 1 190 190 LEU N N 15 122.5630857 . . 1 . . . . . 519 LEU N . 53111 1 820 . 1 . 1 191 191 GLU H H 1 8.561034634 0.002705297686 . 1 . . . . . 520 GLU H . 53111 1 821 . 1 . 1 191 191 GLU C C 13 176.8045259 0.002472640452 . 1 . . . . . 520 GLU C . 53111 1 822 . 1 . 1 191 191 GLU CA C 13 56.97379518 0.03426714853 . 1 . . . . . 520 GLU CA . 53111 1 823 . 1 . 1 191 191 GLU CB C 13 30.09475415 0.0303715467 . 1 . . . . . 520 GLU CB . 53111 1 824 . 1 . 1 191 191 GLU N N 15 121.6537605 0.0240337708 . 1 . . . . . 520 GLU N . 53111 1 825 . 1 . 1 192 192 THR H H 1 8.149158348 0.002798371723 . 1 . . . . . 521 THR H . 53111 1 826 . 1 . 1 192 192 THR C C 13 174.4939794 0.008183600837 . 1 . . . . . 521 THR C . 53111 1 827 . 1 . 1 192 192 THR CA C 13 62.09049544 0.06349374867 . 1 . . . . . 521 THR CA . 53111 1 828 . 1 . 1 192 192 THR CB C 13 69.7944957 0.0185130497 . 1 . . . . . 521 THR CB . 53111 1 829 . 1 . 1 192 192 THR N N 15 114.6181374 0.03967007435 . 1 . . . . . 521 THR N . 53111 1 830 . 1 . 1 193 193 ALA H H 1 8.357946437 0.002483229211 . 1 . . . . . 522 ALA H . 53111 1 831 . 1 . 1 193 193 ALA C C 13 177.8478986 0.004745117324 . 1 . . . . . 522 ALA C . 53111 1 832 . 1 . 1 193 193 ALA CA C 13 52.80551846 0.01580164985 . 1 . . . . . 522 ALA CA . 53111 1 833 . 1 . 1 193 193 ALA CB C 13 19.03590564 0.0636502054 . 1 . . . . . 522 ALA CB . 53111 1 834 . 1 . 1 193 193 ALA N N 15 126.3768688 0.01364818258 . 1 . . . . . 522 ALA N . 53111 1 835 . 1 . 1 194 194 ARG H H 1 8.325419245 0.001738030711 . 1 . . . . . 523 ARG H . 53111 1 836 . 1 . 1 194 194 ARG C C 13 176.10468 0.005480275664 . 1 . . . . . 523 ARG C . 53111 1 837 . 1 . 1 194 194 ARG CA C 13 56.21377078 0.002901424454 . 1 . . . . . 523 ARG CA . 53111 1 838 . 1 . 1 194 194 ARG CB C 13 30.83182046 . . 1 . . . . . 523 ARG CB . 53111 1 839 . 1 . 1 194 194 ARG N N 15 120.1232809 0.00192169374 . 1 . . . . . 523 ARG N . 53111 1 840 . 1 . 1 195 195 ASP H H 1 8.324155445 0.001497306081 . 1 . . . . . 524 ASP H . 53111 1 841 . 1 . 1 195 195 ASP C C 13 175.812969 . . 1 . . . . . 524 ASP C . 53111 1 842 . 1 . 1 195 195 ASP CA C 13 54.44031983 0.05914249248 . 1 . . . . . 524 ASP CA . 53111 1 843 . 1 . 1 195 195 ASP CB C 13 40.95546931 0.01689396756 . 1 . . . . . 524 ASP CB . 53111 1 844 . 1 . 1 195 195 ASP N N 15 120.2952022 0.01185523011 . 1 . . . . . 524 ASP N . 53111 1 845 . 1 . 1 196 196 HIS H H 1 8.215244054 0.002051614461 . 1 . . . . . 525 HIS H . 53111 1 846 . 1 . 1 196 196 HIS C C 13 174.8120626 . . 1 . . . . . 525 HIS C . 53111 1 847 . 1 . 1 196 196 HIS CA C 13 56.01319053 0.001300286581 . 1 . . . . . 525 HIS CA . 53111 1 848 . 1 . 1 196 196 HIS CB C 13 30.50596305 . . 1 . . . . . 525 HIS CB . 53111 1 849 . 1 . 1 196 196 HIS N N 15 119.4298698 0.03106692059 . 1 . . . . . 525 HIS N . 53111 1 850 . 1 . 1 197 197 VAL H H 1 8.141418397 . . 1 . . . . . 526 VAL H . 53111 1 851 . 1 . 1 197 197 VAL C C 13 175.829756 . . 1 . . . . . 526 VAL C . 53111 1 852 . 1 . 1 197 197 VAL CA C 13 62.23825994 0.03109930448 . 1 . . . . . 526 VAL CA . 53111 1 853 . 1 . 1 197 197 VAL CB C 13 32.67689731 0.008658411193 . 1 . . . . . 526 VAL CB . 53111 1 854 . 1 . 1 197 197 VAL N N 15 122.1052381 . . 1 . . . . . 526 VAL N . 53111 1 855 . 1 . 1 198 198 LEU H H 1 8.454676513 0.001202053177 . 1 . . . . . 527 LEU H . 53111 1 856 . 1 . 1 198 198 LEU C C 13 175.0382556 . . 1 . . . . . 527 LEU C . 53111 1 857 . 1 . 1 198 198 LEU CA C 13 52.84242752 0.0339008403 . 1 . . . . . 527 LEU CA . 53111 1 858 . 1 . 1 198 198 LEU CB C 13 41.49792494 . . 1 . . . . . 527 LEU CB . 53111 1 859 . 1 . 1 198 198 LEU N N 15 127.8166307 0.01627105599 . 1 . . . . . 527 LEU N . 53111 1 860 . 1 . 1 199 199 PRO C C 13 177.1306322 . . 1 . . . . . 528 PRO C . 53111 1 861 . 1 . 1 199 199 PRO CA C 13 62.90149053 . . 1 . . . . . 528 PRO CA . 53111 1 862 . 1 . 1 199 199 PRO CB C 13 32.22840944 . . 1 . . . . . 528 PRO CB . 53111 1 863 . 1 . 1 200 200 ILE H H 1 8.320991951 0.001318877329 . 1 . . . . . 529 ILE H . 53111 1 864 . 1 . 1 200 200 ILE C C 13 175.8728987 . . 1 . . . . . 529 ILE C . 53111 1 865 . 1 . 1 200 200 ILE CA C 13 61.91873106 0.05707027371 . 1 . . . . . 529 ILE CA . 53111 1 866 . 1 . 1 200 200 ILE N N 15 120.6633182 0.01547410846 . 1 . . . . . 529 ILE N . 53111 1 867 . 1 . 1 201 201 ASP H H 1 8.320608433 0.001751473062 . 1 . . . . . 530 ASP H . 53111 1 868 . 1 . 1 201 201 ASP C C 13 175.8032233 0.01185732406 . 1 . . . . . 530 ASP C . 53111 1 869 . 1 . 1 201 201 ASP CA C 13 53.90338338 0.02959028978 . 1 . . . . . 530 ASP CA . 53111 1 870 . 1 . 1 201 201 ASP CB C 13 40.94481288 0.02994891941 . 1 . . . . . 530 ASP CB . 53111 1 871 . 1 . 1 201 201 ASP N N 15 122.0921084 0.02483481882 . 1 . . . . . 530 ASP N . 53111 1 872 . 1 . 1 202 202 TYR H H 1 7.962106328 0.001388560308 . 1 . . . . . 531 TYR H . 53111 1 873 . 1 . 1 202 202 TYR C C 13 175.1387093 0.01378968424 . 1 . . . . . 531 TYR C . 53111 1 874 . 1 . 1 202 202 TYR CA C 13 58.78250634 0.02358074046 . 1 . . . . . 531 TYR CA . 53111 1 875 . 1 . 1 202 202 TYR CB C 13 39.05597486 . . 1 . . . . . 531 TYR CB . 53111 1 876 . 1 . 1 202 202 TYR N N 15 120.6328093 0.0250262907 . 1 . . . . . 531 TYR N . 53111 1 877 . 1 . 1 203 203 TYR H H 1 7.999170418 0.001795082534 . 1 . . . . . 532 TYR H . 53111 1 878 . 1 . 1 203 203 TYR C C 13 174.3177115 0.002680021666 . 1 . . . . . 532 TYR C . 53111 1 879 . 1 . 1 203 203 TYR CA C 13 57.99561068 . . 1 . . . . . 532 TYR CA . 53111 1 880 . 1 . 1 203 203 TYR CB C 13 39.04663681 . . 1 . . . . . 532 TYR CB . 53111 1 881 . 1 . 1 203 203 TYR N N 15 121.2039463 0.02598643683 . 1 . . . . . 532 TYR N . 53111 1 882 . 1 . 1 204 204 PHE H H 1 7.954961286 0.002653399022 . 1 . . . . . 533 PHE H . 53111 1 883 . 1 . 1 204 204 PHE C C 13 179.4848941 . . 1 . . . . . 533 PHE C . 53111 1 884 . 1 . 1 204 204 PHE CA C 13 55.00483776 . . 1 . . . . . 533 PHE CA . 53111 1 885 . 1 . 1 204 204 PHE CB C 13 39.22414583 . . 1 . . . . . 533 PHE CB . 53111 1 886 . 1 . 1 204 204 PHE N N 15 123.9666707 0.01644491629 . 1 . . . . . 533 PHE N . 53111 1 887 . 1 . 1 206 206 PRO C C 13 176.9662303 0.01042314896 . 1 . . . . . 535 PRO C . 53111 1 888 . 1 . 1 206 206 PRO CA C 13 62.86928197 0.03472246446 . 1 . . . . . 535 PRO CA . 53111 1 889 . 1 . 1 206 206 PRO CB C 13 32.06754534 0.004532383743 . 1 . . . . . 535 PRO CB . 53111 1 890 . 1 . 1 207 207 GLN H H 1 8.631337404 0.001645194677 . 1 . . . . . 536 GLN H . 53111 1 891 . 1 . 1 207 207 GLN C C 13 175.9234207 . . 1 . . . . . 536 GLN C . 53111 1 892 . 1 . 1 207 207 GLN CA C 13 55.58070509 0.003756188884 . 1 . . . . . 536 GLN CA . 53111 1 893 . 1 . 1 207 207 GLN CB C 13 29.69690497 . . 1 . . . . . 536 GLN CB . 53111 1 894 . 1 . 1 207 207 GLN N N 15 121.1832022 0.01760362614 . 1 . . . . . 536 GLN N . 53111 1 895 . 1 . 1 208 208 LYS H H 1 8.592942508 0.004195125827 . 1 . . . . . 537 LYS H . 53111 1 896 . 1 . 1 208 208 LYS C C 13 175.9778028 0.004865479625 . 1 . . . . . 537 LYS C . 53111 1 897 . 1 . 1 208 208 LYS CA C 13 56.45709672 0.01787542783 . 1 . . . . . 537 LYS CA . 53111 1 898 . 1 . 1 208 208 LYS CB C 13 33.11234105 0.01630963822 . 1 . . . . . 537 LYS CB . 53111 1 899 . 1 . 1 208 208 LYS N N 15 124.2478252 0.01663519864 . 1 . . . . . 537 LYS N . 53111 1 900 . 1 . 1 209 209 THR H H 1 8.002208663 0.0009890518889 . 1 . . . . . 538 THR H . 53111 1 901 . 1 . 1 209 209 THR C C 13 179.307886 . . 1 . . . . . 538 THR C . 53111 1 902 . 1 . 1 209 209 THR CA C 13 63.30080303 0.01910531 . 1 . . . . . 538 THR CA . 53111 1 903 . 1 . 1 209 209 THR CB C 13 70.70000207 . . 1 . . . . . 538 THR CB . 53111 1 904 . 1 . 1 209 209 THR N N 15 121.6494078 0.01951337426 . 1 . . . . . 538 THR N . 53111 1 stop_ save_