################################### # 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 53100 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'AR Tau-5* noAro' _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' . . . 53100 1 2 '3D HNCO' . . . 53100 1 3 '3D HNCA' . . . 53100 1 4 '3D HN(CA)CO' . . . 53100 1 5 '3D HNCACB' . . . 53100 1 6 '3D HN(CO)CACB' . . . 53100 1 7 '3D HN(CA)NNH' . . . 53100 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 . . 53100 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 8.687215578 0.0039192322 . 1 . . . . . 330 ALA H . 53100 1 2 . 1 . 1 1 1 ALA C C 13 177.7553396 0.0086833646 . 1 . . . . . 330 ALA C . 53100 1 3 . 1 . 1 1 1 ALA CA C 13 52.35692352 0.0169803853 . 1 . . . . . 330 ALA CA . 53100 1 4 . 1 . 1 1 1 ALA CB C 13 19.09069337 0.0171624112 . 1 . . . . . 330 ALA CB . 53100 1 5 . 1 . 1 1 1 ALA N N 15 125.2148699 0.0092298949 . 1 . . . . . 330 ALA N . 53100 1 6 . 1 . 1 2 2 ALA H H 1 8.580636929 0.0039323231 . 1 . . . . . 331 ALA H . 53100 1 7 . 1 . 1 2 2 ALA C C 13 178.4957329 0.0091510356 . 1 . . . . . 331 ALA C . 53100 1 8 . 1 . 1 2 2 ALA CA C 13 52.73466956 0.0471930249 . 1 . . . . . 331 ALA CA . 53100 1 9 . 1 . 1 2 2 ALA CB C 13 19.03012744 0.0752356007 . 1 . . . . . 331 ALA CB . 53100 1 10 . 1 . 1 2 2 ALA N N 15 124.2778758 0.0073782279 . 1 . . . . . 331 ALA N . 53100 1 11 . 1 . 1 3 3 GLY H H 1 8.567758018 0.0071459196 . 1 . . . . . 332 GLY H . 53100 1 12 . 1 . 1 3 3 GLY C C 13 174.4067772 . . 1 . . . . . 332 GLY C . 53100 1 13 . 1 . 1 3 3 GLY CA C 13 45.22161159 0.0055927475 . 1 . . . . . 332 GLY CA . 53100 1 14 . 1 . 1 3 3 GLY N N 15 108.9219089 0.0071651379 . 1 . . . . . 332 GLY N . 53100 1 15 . 1 . 1 5 5 SER H H 1 8.629929264 0.0041388535 . 1 . . . . . 334 SER H . 53100 1 16 . 1 . 1 5 5 SER C C 13 175.1056395 . . 1 . . . . . 334 SER C . 53100 1 17 . 1 . 1 5 5 SER CA C 13 58.73212635 0.0268229836 . 1 . . . . . 334 SER CA . 53100 1 18 . 1 . 1 5 5 SER CB C 13 63.70837234 0.0169474175 . 1 . . . . . 334 SER CB . 53100 1 19 . 1 . 1 5 5 SER N N 15 118.0221671 0.0266895841 . 1 . . . . . 334 SER N . 53100 1 20 . 1 . 1 6 6 GLY H H 1 8.548559512 0.004164377 . 1 . . . . . 335 GLY H . 53100 1 21 . 1 . 1 6 6 GLY C C 13 174.2489618 0.0142768772 . 1 . . . . . 335 GLY C . 53100 1 22 . 1 . 1 6 6 GLY CA C 13 45.32699717 0.0139357746 . 1 . . . . . 335 GLY CA . 53100 1 23 . 1 . 1 6 6 GLY N N 15 110.9986661 0.0049305997 . 1 . . . . . 335 GLY N . 53100 1 24 . 1 . 1 7 7 THR H H 1 8.162647813 0.0038123108 . 1 . . . . . 336 THR H . 53100 1 25 . 1 . 1 7 7 THR C C 13 174.443344 0.0084958211 . 1 . . . . . 336 THR C . 53100 1 26 . 1 . 1 7 7 THR CA C 13 61.87762067 0.0302179903 . 1 . . . . . 336 THR CA . 53100 1 27 . 1 . 1 7 7 THR CB C 13 69.875588 0.018690028 . 1 . . . . . 336 THR CB . 53100 1 28 . 1 . 1 7 7 THR N N 15 114.3739717 0.0149500504 . 1 . . . . . 336 THR N . 53100 1 29 . 1 . 1 8 8 LEU H H 1 8.424678619 0.0044332159 . 1 . . . . . 337 LEU H . 53100 1 30 . 1 . 1 8 8 LEU C C 13 177.0937744 0.0076015446 . 1 . . . . . 337 LEU C . 53100 1 31 . 1 . 1 8 8 LEU CA C 13 55.17009873 0.0182315486 . 1 . . . . . 337 LEU CA . 53100 1 32 . 1 . 1 8 8 LEU CB C 13 42.34967044 0.0158387419 . 1 . . . . . 337 LEU CB . 53100 1 33 . 1 . 1 8 8 LEU N N 15 125.0998912 0.0116583118 . 1 . . . . . 337 LEU N . 53100 1 34 . 1 . 1 9 9 GLU H H 1 8.469837418 0.0032874886 . 1 . . . . . 338 GLU H . 53100 1 35 . 1 . 1 9 9 GLU C C 13 176.041039 0.006328727 . 1 . . . . . 338 GLU C . 53100 1 36 . 1 . 1 9 9 GLU CA C 13 56.11104371 0.018617754 . 1 . . . . . 338 GLU CA . 53100 1 37 . 1 . 1 9 9 GLU CB C 13 30.31977145 0.0346791191 . 1 . . . . . 338 GLU CB . 53100 1 38 . 1 . 1 9 9 GLU N N 15 122.6811342 0.0125274602 . 1 . . . . . 338 GLU N . 53100 1 39 . 1 . 1 10 10 LEU H H 1 8.497471935 0.0048295538 . 1 . . . . . 339 LEU H . 53100 1 40 . 1 . 1 10 10 LEU C C 13 175.2795273 . . 1 . . . . . 339 LEU C . 53100 1 41 . 1 . 1 10 10 LEU CA C 13 53.0039308 0.0099103211 . 1 . . . . . 339 LEU CA . 53100 1 42 . 1 . 1 10 10 LEU CB C 13 41.594845 . . 1 . . . . . 339 LEU CB . 53100 1 43 . 1 . 1 10 10 LEU N N 15 125.5372129 0.0073369983 . 1 . . . . . 339 LEU N . 53100 1 44 . 1 . 1 11 11 PRO C C 13 177.1120804 0.0085663295 . 1 . . . . . 340 PRO C . 53100 1 45 . 1 . 1 11 11 PRO CA C 13 63.16611317 0.0136181237 . 1 . . . . . 340 PRO CA . 53100 1 46 . 1 . 1 11 11 PRO CB C 13 32.15743861 0.0532293322 . 1 . . . . . 340 PRO CB . 53100 1 47 . 1 . 1 12 12 SER H H 1 8.592119384 0.0034886092 . 1 . . . . . 341 SER H . 53100 1 48 . 1 . 1 12 12 SER C C 13 175.3515081 0.0079952485 . 1 . . . . . 341 SER C . 53100 1 49 . 1 . 1 12 12 SER CA C 13 58.34538106 0.0268704282 . 1 . . . . . 341 SER CA . 53100 1 50 . 1 . 1 12 12 SER CB C 13 63.75393007 0.022607309 . 1 . . . . . 341 SER CB . 53100 1 51 . 1 . 1 12 12 SER N N 15 116.2219952 0.0099933327 . 1 . . . . . 341 SER N . 53100 1 52 . 1 . 1 13 13 THR H H 1 8.337874352 0.0039494861 . 1 . . . . . 342 THR H . 53100 1 53 . 1 . 1 13 13 THR C C 13 174.9027289 0.0115789765 . 1 . . . . . 342 THR C . 53100 1 54 . 1 . 1 13 13 THR CA C 13 62.39818016 0.0419876257 . 1 . . . . . 342 THR CA . 53100 1 55 . 1 . 1 13 13 THR CB C 13 69.53133148 0.0350209343 . 1 . . . . . 342 THR CB . 53100 1 56 . 1 . 1 13 13 THR N N 15 116.5256752 0.0098417508 . 1 . . . . . 342 THR N . 53100 1 57 . 1 . 1 14 14 LEU H H 1 8.244224714 0.0052467254 . 1 . . . . . 343 LEU H . 53100 1 58 . 1 . 1 14 14 LEU C C 13 177.602187 0.0083153654 . 1 . . . . . 343 LEU C . 53100 1 59 . 1 . 1 14 14 LEU CA C 13 55.58685333 0.0080802786 . 1 . . . . . 343 LEU CA . 53100 1 60 . 1 . 1 14 14 LEU CB C 13 42.32821919 0.0108909352 . 1 . . . . . 343 LEU CB . 53100 1 61 . 1 . 1 14 14 LEU N N 15 124.2110612 0.0189469889 . 1 . . . . . 343 LEU N . 53100 1 62 . 1 . 1 15 15 SER H H 1 8.362754156 0.0042185277 . 1 . . . . . 344 SER H . 53100 1 63 . 1 . 1 15 15 SER C C 13 174.8009403 0.0082280836 . 1 . . . . . 344 SER C . 53100 1 64 . 1 . 1 15 15 SER CA C 13 58.48140606 0.0110511506 . 1 . . . . . 344 SER CA . 53100 1 65 . 1 . 1 15 15 SER CB C 13 63.53908345 0.0094339669 . 1 . . . . . 344 SER CB . 53100 1 66 . 1 . 1 15 15 SER N N 15 116.966296 0.0110011647 . 1 . . . . . 344 SER N . 53100 1 67 . 1 . 1 16 16 LEU H H 1 8.342046751 0.0035633118 . 1 . . . . . 345 LEU H . 53100 1 68 . 1 . 1 16 16 LEU C C 13 177.5220275 0.0076021184 . 1 . . . . . 345 LEU C . 53100 1 69 . 1 . 1 16 16 LEU CA C 13 55.23479125 0.0078121774 . 1 . . . . . 345 LEU CA . 53100 1 70 . 1 . 1 16 16 LEU CB C 13 42.2020047 0.0293781444 . 1 . . . . . 345 LEU CB . 53100 1 71 . 1 . 1 16 16 LEU N N 15 124.6135548 0.0100893295 . 1 . . . . . 345 LEU N . 53100 1 72 . 1 . 1 17 17 ALA H H 1 8.287019742 0.003444719 . 1 . . . . . 346 ALA H . 53100 1 73 . 1 . 1 17 17 ALA C C 13 178.0538273 0.0084565676 . 1 . . . . . 346 ALA C . 53100 1 74 . 1 . 1 17 17 ALA CA C 13 52.75706438 0.0187657126 . 1 . . . . . 346 ALA CA . 53100 1 75 . 1 . 1 17 17 ALA CB C 13 18.99339417 0.0209007018 . 1 . . . . . 346 ALA CB . 53100 1 76 . 1 . 1 17 17 ALA N N 15 124.6355725 0.0102124229 . 1 . . . . . 346 ALA N . 53100 1 77 . 1 . 1 18 18 LYS H H 1 8.402217157 0.0034437453 . 1 . . . . . 347 LYS H . 53100 1 78 . 1 . 1 18 18 LYS C C 13 176.9636604 0.005970896 . 1 . . . . . 347 LYS C . 53100 1 79 . 1 . 1 18 18 LYS CA C 13 56.31166438 0.0087097579 . 1 . . . . . 347 LYS CA . 53100 1 80 . 1 . 1 18 18 LYS CB C 13 32.95809355 0.0428892425 . 1 . . . . . 347 LYS CB . 53100 1 81 . 1 . 1 18 18 LYS N N 15 120.9674103 0.0119385251 . 1 . . . . . 347 LYS N . 53100 1 82 . 1 . 1 19 19 SER H H 1 8.499751178 0.0041093323 . 1 . . . . . 348 SER H . 53100 1 83 . 1 . 1 19 19 SER C C 13 175.2436199 0.0174080976 . 1 . . . . . 348 SER C . 53100 1 84 . 1 . 1 19 19 SER CA C 13 58.67160069 0.0205654266 . 1 . . . . . 348 SER CA . 53100 1 85 . 1 . 1 19 19 SER CB C 13 63.74081481 0.0586274949 . 1 . . . . . 348 SER CB . 53100 1 86 . 1 . 1 19 19 SER N N 15 117.3219688 0.0144045595 . 1 . . . . . 348 SER N . 53100 1 87 . 1 . 1 20 20 GLY H H 1 8.605230094 0.0036503759 . 1 . . . . . 349 GLY H . 53100 1 88 . 1 . 1 20 20 GLY C C 13 174.0953721 0.0078553215 . 1 . . . . . 349 GLY C . 53100 1 89 . 1 . 1 20 20 GLY CA C 13 45.32171757 0.0570066307 . 1 . . . . . 349 GLY CA . 53100 1 90 . 1 . 1 20 20 GLY N N 15 111.5240478 0.0039200356 . 1 . . . . . 349 GLY N . 53100 1 91 . 1 . 1 21 21 ALA H H 1 8.209130557 0.0034921447 . 1 . . . . . 350 ALA H . 53100 1 92 . 1 . 1 21 21 ALA C C 13 178.3328164 0.0078467444 . 1 . . . . . 350 ALA C . 53100 1 93 . 1 . 1 21 21 ALA CA C 13 52.84685366 0.0232757988 . 1 . . . . . 350 ALA CA . 53100 1 94 . 1 . 1 21 21 ALA CB C 13 19.23480655 0.027622901 . 1 . . . . . 350 ALA CB . 53100 1 95 . 1 . 1 21 21 ALA N N 15 123.7836377 0.0025552016 . 1 . . . . . 350 ALA N . 53100 1 96 . 1 . 1 22 22 LEU H H 1 8.394807065 0.0031048996 . 1 . . . . . 351 LEU H . 53100 1 97 . 1 . 1 22 22 LEU C C 13 177.6625218 0.0075777394 . 1 . . . . . 351 LEU C . 53100 1 98 . 1 . 1 22 22 LEU CA C 13 55.59412443 0.0157593101 . 1 . . . . . 351 LEU CA . 53100 1 99 . 1 . 1 22 22 LEU CB C 13 42.17410567 0.033036006 . 1 . . . . . 351 LEU CB . 53100 1 100 . 1 . 1 22 22 LEU N N 15 121.3657231 0.0107129422 . 1 . . . . . 351 LEU N . 53100 1 101 . 1 . 1 23 23 ASP H H 1 8.334765371 0.0035579127 . 1 . . . . . 352 ASP H . 53100 1 102 . 1 . 1 23 23 ASP C C 13 176.9193045 0.009486406 . 1 . . . . . 352 ASP C . 53100 1 103 . 1 . 1 23 23 ASP CA C 13 54.47870678 0.01087443 . 1 . . . . . 352 ASP CA . 53100 1 104 . 1 . 1 23 23 ASP CB C 13 40.84040621 0.0065237013 . 1 . . . . . 352 ASP CB . 53100 1 105 . 1 . 1 23 23 ASP N N 15 121.4194095 0.0060181142 . 1 . . . . . 352 ASP N . 53100 1 106 . 1 . 1 24 24 GLU H H 1 8.514396091 0.0030632234 . 1 . . . . . 353 GLU H . 53100 1 107 . 1 . 1 24 24 GLU C C 13 177.6100518 0.0080902062 . 1 . . . . . 353 GLU C . 53100 1 108 . 1 . 1 24 24 GLU CA C 13 57.94026292 0.0163604348 . 1 . . . . . 353 GLU CA . 53100 1 109 . 1 . 1 24 24 GLU CB C 13 29.87383684 0.0191521631 . 1 . . . . . 353 GLU CB . 53100 1 110 . 1 . 1 24 24 GLU N N 15 122.4367914 0.0047951991 . 1 . . . . . 353 GLU N . 53100 1 111 . 1 . 1 25 25 ALA H H 1 8.340871064 0.0027952251 . 1 . . . . . 354 ALA H . 53100 1 112 . 1 . 1 25 25 ALA C C 13 179.0075098 0.0089964841 . 1 . . . . . 354 ALA C . 53100 1 113 . 1 . 1 25 25 ALA CA C 13 53.72292983 0.0148008593 . 1 . . . . . 354 ALA CA . 53100 1 114 . 1 . 1 25 25 ALA CB C 13 18.45755976 0.0118011918 . 1 . . . . . 354 ALA CB . 53100 1 115 . 1 . 1 25 25 ALA N N 15 123.9796603 0.005765011 . 1 . . . . . 354 ALA N . 53100 1 116 . 1 . 1 26 26 ALA H H 1 8.144301696 0.0031654198 . 1 . . . . . 355 ALA H . 53100 1 117 . 1 . 1 26 26 ALA C C 13 179.1265867 0.0073028877 . 1 . . . . . 355 ALA C . 53100 1 118 . 1 . 1 26 26 ALA CA C 13 53.54897545 0.0300989293 . 1 . . . . . 355 ALA CA . 53100 1 119 . 1 . 1 26 26 ALA CB C 13 18.63147651 0.0186555366 . 1 . . . . . 355 ALA CB . 53100 1 120 . 1 . 1 26 26 ALA N N 15 122.460542 0.0097171287 . 1 . . . . . 355 ALA N . 53100 1 121 . 1 . 1 27 27 ALA H H 1 8.217226126 0.0030454255 . 1 . . . . . 356 ALA H . 53100 1 122 . 1 . 1 27 27 ALA C C 13 178.8189608 0.0081737126 . 1 . . . . . 356 ALA C . 53100 1 123 . 1 . 1 27 27 ALA CA C 13 53.45490679 0.0080945003 . 1 . . . . . 356 ALA CA . 53100 1 124 . 1 . 1 27 27 ALA CB C 13 18.61183151 0.0119404176 . 1 . . . . . 356 ALA CB . 53100 1 125 . 1 . 1 27 27 ALA N N 15 122.5016716 0.0075201271 . 1 . . . . . 356 ALA N . 53100 1 126 . 1 . 1 28 28 ALA H H 1 8.166004182 0.0033071064 . 1 . . . . . 357 ALA H . 53100 1 127 . 1 . 1 28 28 ALA C C 13 178.6110981 0.0083049354 . 1 . . . . . 357 ALA C . 53100 1 128 . 1 . 1 28 28 ALA CA C 13 53.53060673 0.0172246895 . 1 . . . . . 357 ALA CA . 53100 1 129 . 1 . 1 28 28 ALA CB C 13 18.64459311 0.0143057085 . 1 . . . . . 357 ALA CB . 53100 1 130 . 1 . 1 28 28 ALA N N 15 122.2993484 0.0094883841 . 1 . . . . . 357 ALA N . 53100 1 131 . 1 . 1 29 29 GLN H H 1 8.180593653 0.0032816228 . 1 . . . . . 358 GLN H . 53100 1 132 . 1 . 1 29 29 GLN C C 13 177.0448029 0.0071473031 . 1 . . . . . 358 GLN C . 53100 1 133 . 1 . 1 29 29 GLN CA C 13 56.70710388 0.0260654844 . 1 . . . . . 358 GLN CA . 53100 1 134 . 1 . 1 29 29 GLN CB C 13 29.05401622 0.035898054 . 1 . . . . . 358 GLN CB . 53100 1 135 . 1 . 1 29 29 GLN N N 15 118.5045344 0.0108474582 . 1 . . . . . 358 GLN N . 53100 1 136 . 1 . 1 30 30 SER H H 1 8.284005099 0.0037854331 . 1 . . . . . 359 SER H . 53100 1 137 . 1 . 1 30 30 SER C C 13 175.3506512 0.0133414941 . 1 . . . . . 359 SER C . 53100 1 138 . 1 . 1 30 30 SER CA C 13 59.20022058 0.0203037314 . 1 . . . . . 359 SER CA . 53100 1 139 . 1 . 1 30 30 SER CB C 13 63.42654497 0.0365454129 . 1 . . . . . 359 SER CB . 53100 1 140 . 1 . 1 30 30 SER N N 15 116.4087905 0.0116373001 . 1 . . . . . 359 SER N . 53100 1 141 . 1 . 1 31 31 ARG H H 1 8.330095761 0.0040245434 . 1 . . . . . 360 ARG H . 53100 1 142 . 1 . 1 31 31 ARG C C 13 176.7440216 0.0096753 . 1 . . . . . 360 ARG C . 53100 1 143 . 1 . 1 31 31 ARG CA C 13 57.01468842 0.0238863244 . 1 . . . . . 360 ARG CA . 53100 1 144 . 1 . 1 31 31 ARG CB C 13 30.636943 0.0405157154 . 1 . . . . . 360 ARG CB . 53100 1 145 . 1 . 1 31 31 ARG N N 15 123.1655899 0.0100190388 . 1 . . . . . 360 ARG N . 53100 1 146 . 1 . 1 32 32 ASP H H 1 8.326455202 0.0028315242 . 1 . . . . . 361 ASP H . 53100 1 147 . 1 . 1 32 32 ASP C C 13 176.7833959 0.0077921586 . 1 . . . . . 361 ASP C . 53100 1 148 . 1 . 1 32 32 ASP CA C 13 54.89223007 0.0314375043 . 1 . . . . . 361 ASP CA . 53100 1 149 . 1 . 1 32 32 ASP CB C 13 40.99370534 0.042267641 . 1 . . . . . 361 ASP CB . 53100 1 150 . 1 . 1 32 32 ASP N N 15 120.745073 0.0038394551 . 1 . . . . . 361 ASP N . 53100 1 151 . 1 . 1 33 33 ALA H H 1 8.23469612 0.0025978141 . 1 . . . . . 362 ALA H . 53100 1 152 . 1 . 1 33 33 ALA C C 13 178.2006469 0.0077917008 . 1 . . . . . 362 ALA C . 53100 1 153 . 1 . 1 33 33 ALA CA C 13 53.25915703 0.011658914 . 1 . . . . . 362 ALA CA . 53100 1 154 . 1 . 1 33 33 ALA CB C 13 18.86144632 0.0071363622 . 1 . . . . . 362 ALA CB . 53100 1 155 . 1 . 1 33 33 ALA N N 15 124.2730924 0.0168740114 . 1 . . . . . 362 ALA N . 53100 1 156 . 1 . 1 34 34 ALA H H 1 8.227503624 0.0026521922 . 1 . . . . . 363 ALA H . 53100 1 157 . 1 . 1 34 34 ALA C C 13 177.8455365 0.0070842882 . 1 . . . . . 363 ALA C . 53100 1 158 . 1 . 1 34 34 ALA CA C 13 53.02495878 0.0169618422 . 1 . . . . . 363 ALA CA . 53100 1 159 . 1 . 1 34 34 ALA CB C 13 18.86817278 0.0058364021 . 1 . . . . . 363 ALA CB . 53100 1 160 . 1 . 1 34 34 ALA N N 15 121.7676774 0.0108047918 . 1 . . . . . 363 ALA N . 53100 1 161 . 1 . 1 35 35 ASN H H 1 8.16486395 0.0025869496 . 1 . . . . . 364 ASN H . 53100 1 162 . 1 . 1 35 35 ASN C C 13 174.5599396 0.0067834947 . 1 . . . . . 364 ASN C . 53100 1 163 . 1 . 1 35 35 ASN CA C 13 52.9280308 0.0169658779 . 1 . . . . . 364 ASN CA . 53100 1 164 . 1 . 1 35 35 ASN CB C 13 38.99054361 0.0034067919 . 1 . . . . . 364 ASN CB . 53100 1 165 . 1 . 1 35 35 ASN N N 15 116.7183691 0.0098560212 . 1 . . . . . 364 ASN N . 53100 1 166 . 1 . 1 36 36 ALA H H 1 8.098190678 0.0030417184 . 1 . . . . . 365 ALA H . 53100 1 167 . 1 . 1 36 36 ALA C C 13 175.364025 . . 1 . . . . . 365 ALA C . 53100 1 168 . 1 . 1 36 36 ALA CA C 13 50.97479494 0.0069714227 . 1 . . . . . 365 ALA CA . 53100 1 169 . 1 . 1 36 36 ALA CB C 13 17.98202976 . . 1 . . . . . 365 ALA CB . 53100 1 170 . 1 . 1 36 36 ALA N N 15 125.5133712 0.0080356512 . 1 . . . . . 365 ALA N . 53100 1 171 . 1 . 1 37 37 PRO C C 13 177.0583068 0.0065482115 . 1 . . . . . 366 PRO C . 53100 1 172 . 1 . 1 37 37 PRO CA C 13 63.02651511 0.0131703579 . 1 . . . . . 366 PRO CA . 53100 1 173 . 1 . 1 37 37 PRO CB C 13 32.0011687 0.0059085126 . 1 . . . . . 366 PRO CB . 53100 1 174 . 1 . 1 38 38 LEU H H 1 8.416629127 0.0034022999 . 1 . . . . . 367 LEU H . 53100 1 175 . 1 . 1 38 38 LEU C C 13 177.3480782 0.0079984587 . 1 . . . . . 367 LEU C . 53100 1 176 . 1 . 1 38 38 LEU CA C 13 55.11811071 0.0436691468 . 1 . . . . . 367 LEU CA . 53100 1 177 . 1 . 1 38 38 LEU CB C 13 42.32932826 0.0054852016 . 1 . . . . . 367 LEU CB . 53100 1 178 . 1 . 1 38 38 LEU N N 15 122.5666317 0.0107902884 . 1 . . . . . 367 LEU N . 53100 1 179 . 1 . 1 39 39 ALA H H 1 8.389474092 0.0053762754 . 1 . . . . . 368 ALA H . 53100 1 180 . 1 . 1 39 39 ALA C C 13 177.5956336 0.0098969821 . 1 . . . . . 368 ALA C . 53100 1 181 . 1 . 1 39 39 ALA CA C 13 52.33764322 0.0181285416 . 1 . . . . . 368 ALA CA . 53100 1 182 . 1 . 1 39 39 ALA CB C 13 19.12132406 0.0165326915 . 1 . . . . . 368 ALA CB . 53100 1 183 . 1 . 1 39 39 ALA N N 15 125.4105498 0.0116500627 . 1 . . . . . 368 ALA N . 53100 1 184 . 1 . 1 40 40 LEU H H 1 8.305051684 0.0037690537 . 1 . . . . . 369 LEU H . 53100 1 185 . 1 . 1 40 40 LEU C C 13 177.2002491 0.0075368321 . 1 . . . . . 369 LEU C . 53100 1 186 . 1 . 1 40 40 LEU CA C 13 54.94064533 0.010880575 . 1 . . . . . 369 LEU CA . 53100 1 187 . 1 . 1 40 40 LEU CB C 13 42.40125257 . . 1 . . . . . 369 LEU CB . 53100 1 188 . 1 . 1 40 40 LEU N N 15 122.0303031 0.0120761564 . 1 . . . . . 369 LEU N . 53100 1 189 . 1 . 1 41 41 ALA H H 1 8.396521576 0.000073 . 1 . . . . . 370 ALA H . 53100 1 190 . 1 . 1 41 41 ALA C C 13 177.8182874 0.0139586432 . 1 . . . . . 370 ALA C . 53100 1 191 . 1 . 1 41 41 ALA CA C 13 52.41141248 0.009225533445 . 1 . . . . . 370 ALA CA . 53100 1 192 . 1 . 1 41 41 ALA CB C 13 19.44148368 0.03143696535 . 1 . . . . . 370 ALA CB . 53100 1 193 . 1 . 1 41 41 ALA N N 15 125.4452642 0 . 1 . . . . . 370 ALA N . 53100 1 194 . 1 . 1 42 42 GLY H H 1 8.248907073 0.0003461958659 . 1 . . . . . 371 GLY H . 53100 1 195 . 1 . 1 42 42 GLY C C 13 179.0495557 . . 1 . . . . . 371 GLY C . 53100 1 196 . 1 . 1 42 42 GLY CA C 13 44.33730402 0.0057922724 . 1 . . . . . 371 GLY CA . 53100 1 197 . 1 . 1 42 42 GLY N N 15 108.6322361 0.006470548183 . 1 . . . . . 371 GLY N . 53100 1 198 . 1 . 1 50 50 PRO C C 13 176.3133517 0.0070738683 . 1 . . . . . 379 PRO C . 53100 1 199 . 1 . 1 50 50 PRO CA C 13 62.57978955 0.0030577583 . 1 . . . . . 379 PRO CA . 53100 1 200 . 1 . 1 50 50 PRO CB C 13 32.02437329 0.0167836287 . 1 . . . . . 379 PRO CB . 53100 1 201 . 1 . 1 51 51 ALA H H 1 8.528666439 0.0036920347 . 1 . . . . . 380 ALA H . 53100 1 202 . 1 . 1 51 51 ALA C C 13 175.6359219 . . 1 . . . . . 380 ALA C . 53100 1 203 . 1 . 1 51 51 ALA CA C 13 50.39930986 0.0115939111 . 1 . . . . . 380 ALA CA . 53100 1 204 . 1 . 1 51 51 ALA CB C 13 17.89680662 . . 1 . . . . . 380 ALA CB . 53100 1 205 . 1 . 1 51 51 ALA N N 15 125.9268114 0.0056708936 . 1 . . . . . 380 ALA N . 53100 1 206 . 1 . 1 52 52 PRO C C 13 176.7651233 0.006299922 . 1 . . . . . 381 PRO C . 53100 1 207 . 1 . 1 52 52 PRO CA C 13 62.95751924 0.0066031711 . 1 . . . . . 381 PRO CA . 53100 1 208 . 1 . 1 52 52 PRO CB C 13 32.01999614 0.0202544566 . 1 . . . . . 381 PRO CB . 53100 1 209 . 1 . 1 53 53 ALA H H 1 8.506942122 0.003364006 . 1 . . . . . 382 ALA H . 53100 1 210 . 1 . 1 53 53 ALA C C 13 177.6354274 0.0094009217 . 1 . . . . . 382 ALA C . 53100 1 211 . 1 . 1 53 53 ALA CA C 13 52.3849884 0.0144223362 . 1 . . . . . 382 ALA CA . 53100 1 212 . 1 . 1 53 53 ALA CB C 13 19.11293709 0.0018750716 . 1 . . . . . 382 ALA CB . 53100 1 213 . 1 . 1 53 53 ALA N N 15 124.5221314 0.0044385343 . 1 . . . . . 382 ALA N . 53100 1 214 . 1 . 1 54 54 ALA H H 1 8.407162396 0.0036623617 . 1 . . . . . 383 ALA H . 53100 1 215 . 1 . 1 54 54 ALA C C 13 177.7553805 0.0243337135 . 1 . . . . . 383 ALA C . 53100 1 216 . 1 . 1 54 54 ALA CA C 13 52.35410629 0.0151469391 . 1 . . . . . 383 ALA CA . 53100 1 217 . 1 . 1 54 54 ALA CB C 13 19.18867347 0.0126914286 . 1 . . . . . 383 ALA CB . 53100 1 218 . 1 . 1 54 54 ALA N N 15 123.7458823 0.0045112378 . 1 . . . . . 383 ALA N . 53100 1 219 . 1 . 1 55 55 ARG H H 1 8.431308278 0.0036085084 . 1 . . . . . 384 ARG H . 53100 1 220 . 1 . 1 55 55 ARG C C 13 176.2878579 0.0097380211 . 1 . . . . . 384 ARG C . 53100 1 221 . 1 . 1 55 55 ARG CA C 13 56.02038177 0.0073368725 . 1 . . . . . 384 ARG CA . 53100 1 222 . 1 . 1 55 55 ARG CB C 13 30.7058777 0.0608448413 . 1 . . . . . 384 ARG CB . 53100 1 223 . 1 . 1 55 55 ARG N N 15 121.1747671 0.0064214212 . 1 . . . . . 384 ARG N . 53100 1 224 . 1 . 1 56 56 ILE H H 1 8.308573863 0.0049647189 . 1 . . . . . 385 ILE H . 53100 1 225 . 1 . 1 56 56 ILE C C 13 175.9761949 0.0082042331 . 1 . . . . . 385 ILE C . 53100 1 226 . 1 . 1 56 56 ILE CA C 13 61.06046508 0.0082020693 . 1 . . . . . 385 ILE CA . 53100 1 227 . 1 . 1 56 56 ILE CB C 13 38.7104377 0.0329450117 . 1 . . . . . 385 ILE CB . 53100 1 228 . 1 . 1 56 56 ILE N N 15 123.2016401 0.0065393211 . 1 . . . . . 385 ILE N . 53100 1 229 . 1 . 1 57 57 LYS H H 1 8.527704965 0.0040544759 . 1 . . . . . 386 LYS H . 53100 1 230 . 1 . 1 57 57 LYS C C 13 176.0153335 0.0206653532 . 1 . . . . . 386 LYS C . 53100 1 231 . 1 . 1 57 57 LYS CA C 13 56.13256846 0.0217985665 . 1 . . . . . 386 LYS CA . 53100 1 232 . 1 . 1 57 57 LYS CB C 13 33.11111616 0.0085375412 . 1 . . . . . 386 LYS CB . 53100 1 233 . 1 . 1 57 57 LYS N N 15 126.7707027 0.0151070001 . 1 . . . . . 386 LYS N . 53100 1 234 . 1 . 1 58 58 LEU H H 1 8.478828719 0.0050403091 . 1 . . . . . 387 LEU H . 53100 1 235 . 1 . 1 58 58 LEU C C 13 177.1484617 0.007161465 . 1 . . . . . 387 LEU C . 53100 1 236 . 1 . 1 58 58 LEU CA C 13 54.84870984 0.0167223086 . 1 . . . . . 387 LEU CA . 53100 1 237 . 1 . 1 58 58 LEU CB C 13 42.38003341 0.0168189563 . 1 . . . . . 387 LEU CB . 53100 1 238 . 1 . 1 58 58 LEU N N 15 125.5435326 0.0094196543 . 1 . . . . . 387 LEU N . 53100 1 239 . 1 . 1 59 59 GLU H H 1 8.565367744 0.0035276208 . 1 . . . . . 388 GLU H . 53100 1 240 . 1 . 1 59 59 GLU C C 13 175.8366749 0.0087700575 . 1 . . . . . 388 GLU C . 53100 1 241 . 1 . 1 59 59 GLU CA C 13 56.34399299 0.0146952059 . 1 . . . . . 388 GLU CA . 53100 1 242 . 1 . 1 59 59 GLU CB C 13 30.44433049 0.0207685549 . 1 . . . . . 388 GLU CB . 53100 1 243 . 1 . 1 59 59 GLU N N 15 122.482529 0.0161677071 . 1 . . . . . 388 GLU N . 53100 1 244 . 1 . 1 60 60 ASN H H 1 8.686649674 0.0037301642 . 1 . . . . . 389 ASN H . 53100 1 245 . 1 . 1 60 60 ASN C C 13 173.59709 . . 1 . . . . . 389 ASN C . 53100 1 246 . 1 . 1 60 60 ASN CA C 13 51.06405846 0.0148817919 . 1 . . . . . 389 ASN CA . 53100 1 247 . 1 . 1 60 60 ASN CB C 13 38.91762469 . . 1 . . . . . 389 ASN CB . 53100 1 248 . 1 . 1 60 60 ASN N N 15 121.00215 0.0182449285 . 1 . . . . . 389 ASN N . 53100 1 249 . 1 . 1 61 61 PRO C C 13 177.2484389 . . 1 . . . . . 390 PRO C . 53100 1 250 . 1 . 1 61 61 PRO CA C 13 63.56675194 0.0146801772 . 1 . . . . . 390 PRO CA . 53100 1 251 . 1 . 1 62 62 LEU H H 1 8.325934483 0.0032646258 . 1 . . . . . 391 LEU H . 53100 1 252 . 1 . 1 62 62 LEU C C 13 177.5247404 0.007762489 . 1 . . . . . 391 LEU C . 53100 1 253 . 1 . 1 62 62 LEU CA C 13 55.31087609 0.0098170825 . 1 . . . . . 391 LEU CA . 53100 1 254 . 1 . 1 62 62 LEU CB C 13 41.95181255 0.0417146799 . 1 . . . . . 391 LEU CB . 53100 1 255 . 1 . 1 62 62 LEU N N 15 120.6214271 0.0263452604 . 1 . . . . . 391 LEU N . 53100 1 256 . 1 . 1 63 63 ASP H H 1 8.165210235 0.0028296337 . 1 . . . . . 392 ASP H . 53100 1 257 . 1 . 1 63 63 ASP C C 13 176.3723075 0.0076649358 . 1 . . . . . 392 ASP C . 53100 1 258 . 1 . 1 63 63 ASP CA C 13 54.22457436 0.0178731656 . 1 . . . . . 392 ASP CA . 53100 1 259 . 1 . 1 63 63 ASP CB C 13 41.22095486 0.0024865778 . 1 . . . . . 392 ASP CB . 53100 1 260 . 1 . 1 63 63 ASP N N 15 120.9690165 0.0200550188 . 1 . . . . . 392 ASP N . 53100 1 261 . 1 . 1 64 64 ALA H H 1 8.461084863 0.0074082999 . 1 . . . . . 393 ALA H . 53100 1 262 . 1 . 1 64 64 ALA C C 13 179.1957129 0.0098384077 . 1 . . . . . 393 ALA C . 53100 1 263 . 1 . 1 64 64 ALA CA C 13 53.73935721 0.0308093587 . 1 . . . . . 393 ALA CA . 53100 1 264 . 1 . 1 64 64 ALA CB C 13 18.77429362 0.0029076461 . 1 . . . . . 393 ALA CB . 53100 1 265 . 1 . 1 64 64 ALA N N 15 125.2739421 0.0104172535 . 1 . . . . . 393 ALA N . 53100 1 266 . 1 . 1 65 65 GLY H H 1 8.610540818 0.0060917377 . 1 . . . . . 394 GLY H . 53100 1 267 . 1 . 1 65 65 GLY C C 13 175.4110407 0.0096081678 . 1 . . . . . 394 GLY C . 53100 1 268 . 1 . 1 65 65 GLY CA C 13 45.77074705 0.0103406444 . 1 . . . . . 394 GLY CA . 53100 1 269 . 1 . 1 65 65 GLY N N 15 107.8780121 0.0043349908 . 1 . . . . . 394 GLY N . 53100 1 270 . 1 . 1 66 66 SER H H 1 8.236830451 0.0033780406 . 1 . . . . . 395 SER H . 53100 1 271 . 1 . 1 66 66 SER C C 13 175.8590558 0.0094001514 . 1 . . . . . 395 SER C . 53100 1 272 . 1 . 1 66 66 SER CA C 13 59.6078623 0.0638348485 . 1 . . . . . 395 SER CA . 53100 1 273 . 1 . 1 66 66 SER CB C 13 63.47223865 0.0493380715 . 1 . . . . . 395 SER CB . 53100 1 274 . 1 . 1 66 66 SER N N 15 117.2069308 0.0075564444 . 1 . . . . . 395 SER N . 53100 1 275 . 1 . 1 67 67 ALA H H 1 8.600787443 0.0114764263 . 1 . . . . . 396 ALA H . 53100 1 276 . 1 . 1 67 67 ALA C C 13 179.5626769 0.0052381874 . 1 . . . . . 396 ALA C . 53100 1 277 . 1 . 1 67 67 ALA CA C 13 54.16868064 0.0161732013 . 1 . . . . . 396 ALA CA . 53100 1 278 . 1 . 1 67 67 ALA CB C 13 18.28598811 0.0045369335 . 1 . . . . . 396 ALA CB . 53100 1 279 . 1 . 1 67 67 ALA N N 15 126.4235257 0.016230233 . 1 . . . . . 396 ALA N . 53100 1 280 . 1 . 1 68 68 ALA H H 1 8.351171857 0.0065007459 . 1 . . . . . 397 ALA H . 53100 1 281 . 1 . 1 68 68 ALA C C 13 179.5789709 0.0008296462 . 1 . . . . . 397 ALA C . 53100 1 282 . 1 . 1 68 68 ALA CA C 13 53.99238758 0.0389419006 . 1 . . . . . 397 ALA CA . 53100 1 283 . 1 . 1 68 68 ALA CB C 13 18.3174721 0.0210305957 . 1 . . . . . 397 ALA CB . 53100 1 284 . 1 . 1 68 68 ALA N N 15 122.5653008 0.0164590129 . 1 . . . . . 397 ALA N . 53100 1 285 . 1 . 1 69 69 ALA H H 1 8.151233832 0.0047594152 . 1 . . . . . 398 ALA H . 53100 1 286 . 1 . 1 69 69 ALA C C 13 179.5580547 . . 1 . . . . . 398 ALA C . 53100 1 287 . 1 . 1 69 69 ALA CA C 13 53.90105096 0.0031272562 . 1 . . . . . 398 ALA CA . 53100 1 288 . 1 . 1 69 69 ALA CB C 13 18.31426334 . . 1 . . . . . 398 ALA CB . 53100 1 289 . 1 . 1 69 69 ALA N N 15 122.7009289 0.0184470348 . 1 . . . . . 398 ALA N . 53100 1 290 . 1 . 1 70 70 ALA H H 1 8.150897255 0.000098 . 1 . . . . . 399 ALA H . 53100 1 291 . 1 . 1 70 70 ALA C C 13 179.3169978 0.0049815419 . 1 . . . . . 399 ALA C . 53100 1 292 . 1 . 1 70 70 ALA CA C 13 53.80191574 0.0410875672 . 1 . . . . . 399 ALA CA . 53100 1 293 . 1 . 1 70 70 ALA CB C 13 18.34619053 . . 1 . . . . . 399 ALA CB . 53100 1 294 . 1 . 1 70 70 ALA N N 15 122.6386515 0 . 1 . . . . . 399 ALA N . 53100 1 295 . 1 . 1 71 71 ALA H H 1 8.099107071 0.0036280971 . 1 . . . . . 400 ALA H . 53100 1 296 . 1 . 1 71 71 ALA C C 13 179.2895444 0.0034545106 . 1 . . . . . 400 ALA C . 53100 1 297 . 1 . 1 71 71 ALA CA C 13 53.75301013 0.0159509037 . 1 . . . . . 400 ALA CA . 53100 1 298 . 1 . 1 71 71 ALA CB C 13 18.34388469 0.0062186908 . 1 . . . . . 400 ALA CB . 53100 1 299 . 1 . 1 71 71 ALA N N 15 122.0219026 0.0174221166 . 1 . . . . . 400 ALA N . 53100 1 300 . 1 . 1 72 72 ALA H H 1 8.079679234 0.0063437965 . 1 . . . . . 401 ALA H . 53100 1 301 . 1 . 1 72 72 ALA C C 13 178.8896968 0.0074290497 . 1 . . . . . 401 ALA C . 53100 1 302 . 1 . 1 72 72 ALA CA C 13 53.58358656 0.0532985647 . 1 . . . . . 401 ALA CA . 53100 1 303 . 1 . 1 72 72 ALA CB C 13 18.41602517 0.0089548815 . 1 . . . . . 401 ALA CB . 53100 1 304 . 1 . 1 72 72 ALA N N 15 121.9563548 0.008234696 . 1 . . . . . 401 ALA N . 53100 1 305 . 1 . 1 73 73 ALA H H 1 8.02254078 0.0027232189 . 1 . . . . . 402 ALA H . 53100 1 306 . 1 . 1 73 73 ALA C C 13 178.809248 0.0080102462 . 1 . . . . . 402 ALA C . 53100 1 307 . 1 . 1 73 73 ALA CA C 13 53.43356087 0.0309277256 . 1 . . . . . 402 ALA CA . 53100 1 308 . 1 . 1 73 73 ALA CB C 13 18.59391754 0.0081006291 . 1 . . . . . 402 ALA CB . 53100 1 309 . 1 . 1 73 73 ALA N N 15 121.568381 0.0089850608 . 1 . . . . . 402 ALA N . 53100 1 310 . 1 . 1 74 74 GLN H H 1 8.096524671 0.0026214286 . 1 . . . . . 403 GLN H . 53100 1 311 . 1 . 1 74 74 GLN C C 13 176.6781761 0.0057102084 . 1 . . . . . 403 GLN C . 53100 1 312 . 1 . 1 74 74 GLN CA C 13 56.57448273 0.0306858323 . 1 . . . . . 403 GLN CA . 53100 1 313 . 1 . 1 74 74 GLN CB C 13 29.09636124 0.0169327585 . 1 . . . . . 403 GLN CB . 53100 1 314 . 1 . 1 74 74 GLN N N 15 118.6227071 0.0117035272 . 1 . . . . . 403 GLN N . 53100 1 315 . 1 . 1 75 75 CYS H H 1 8.223367942 0.0031234532 . 1 . . . . . 404 CYS H . 53100 1 316 . 1 . 1 75 75 CYS C C 13 175.2339648 0.0029218483 . 1 . . . . . 404 CYS C . 53100 1 317 . 1 . 1 75 75 CYS CA C 13 59.66901448 0.0132707271 . 1 . . . . . 404 CYS CA . 53100 1 318 . 1 . 1 75 75 CYS CB C 13 27.66874262 0.0440601071 . 1 . . . . . 404 CYS CB . 53100 1 319 . 1 . 1 75 75 CYS N N 15 119.9781757 0.0235959737 . 1 . . . . . 404 CYS N . 53100 1 320 . 1 . 1 76 76 ARG H H 1 8.418240626 0.0019165991 . 1 . . . . . 405 ARG H . 53100 1 321 . 1 . 1 76 76 ARG C C 13 176.5217001 0.0054642126 . 1 . . . . . 405 ARG C . 53100 1 322 . 1 . 1 76 76 ARG CA C 13 56.48570542 0.0088520328 . 1 . . . . . 405 ARG CA . 53100 1 323 . 1 . 1 76 76 ARG CB C 13 30.65089521 0.0161030767 . 1 . . . . . 405 ARG CB . 53100 1 324 . 1 . 1 76 76 ARG N N 15 123.1952374 0.0222769195 . 1 . . . . . 405 ARG N . 53100 1 325 . 1 . 1 77 77 ALA H H 1 8.404768644 0.0066271003 . 1 . . . . . 406 ALA H . 53100 1 326 . 1 . 1 77 77 ALA C C 13 178.8027535 0.0080630142 . 1 . . . . . 406 ALA C . 53100 1 327 . 1 . 1 77 77 ALA CA C 13 53.41126161 0.0137824342 . 1 . . . . . 406 ALA CA . 53100 1 328 . 1 . 1 77 77 ALA CB C 13 18.90140444 0.0042129026 . 1 . . . . . 406 ALA CB . 53100 1 329 . 1 . 1 77 77 ALA N N 15 124.9096834 0.0185453036 . 1 . . . . . 406 ALA N . 53100 1 330 . 1 . 1 78 78 GLY H H 1 8.449337889 0.0098522282 . 1 . . . . . 407 GLY H . 53100 1 331 . 1 . 1 78 78 GLY C C 13 174.3202075 0.0085887792 . 1 . . . . . 407 GLY C . 53100 1 332 . 1 . 1 78 78 GLY CA C 13 45.43120932 0.012097049 . 1 . . . . . 407 GLY CA . 53100 1 333 . 1 . 1 78 78 GLY N N 15 107.9742717 0.032607547 . 1 . . . . . 407 GLY N . 53100 1 334 . 1 . 1 79 79 ASP H H 1 8.187683152 0.0048428179 . 1 . . . . . 408 ASP H . 53100 1 335 . 1 . 1 79 79 ASP C C 13 176.9986687 0.0083918394 . 1 . . . . . 408 ASP C . 53100 1 336 . 1 . 1 79 79 ASP CA C 13 54.61055992 0.0333461244 . 1 . . . . . 408 ASP CA . 53100 1 337 . 1 . 1 79 79 ASP CB C 13 40.97817528 0.0064747307 . 1 . . . . . 408 ASP CB . 53100 1 338 . 1 . 1 79 79 ASP N N 15 120.9074519 0.0056156519 . 1 . . . . . 408 ASP N . 53100 1 339 . 1 . 1 80 80 LEU H H 1 8.303646592 0.0029694788 . 1 . . . . . 409 LEU H . 53100 1 340 . 1 . 1 80 80 LEU C C 13 178.2114971 0.0074752981 . 1 . . . . . 409 LEU C . 53100 1 341 . 1 . 1 80 80 LEU CA C 13 56.07278624 0.0081097106 . 1 . . . . . 409 LEU CA . 53100 1 342 . 1 . 1 80 80 LEU CB C 13 41.98095452 0.0018896971 . 1 . . . . . 409 LEU CB . 53100 1 343 . 1 . 1 80 80 LEU N N 15 122.5501996 0.0040556902 . 1 . . . . . 409 LEU N . 53100 1 344 . 1 . 1 81 81 ALA H H 1 8.323135057 0.0089568879 . 1 . . . . . 410 ALA H . 53100 1 345 . 1 . 1 81 81 ALA C C 13 178.6486943 0.0079734501 . 1 . . . . . 410 ALA C . 53100 1 346 . 1 . 1 81 81 ALA CA C 13 53.39516305 0.0143725997 . 1 . . . . . 410 ALA CA . 53100 1 347 . 1 . 1 81 81 ALA CB C 13 18.75148606 0.0034991713 . 1 . . . . . 410 ALA CB . 53100 1 348 . 1 . 1 81 81 ALA N N 15 123.5329748 0.0569799854 . 1 . . . . . 410 ALA N . 53100 1 349 . 1 . 1 82 82 SER H H 1 8.169929515 0.0041545513 . 1 . . . . . 411 SER H . 53100 1 350 . 1 . 1 82 82 SER C C 13 175.1957675 0.0072197195 . 1 . . . . . 411 SER C . 53100 1 351 . 1 . 1 82 82 SER CA C 13 58.94009313 0.0142817946 . 1 . . . . . 411 SER CA . 53100 1 352 . 1 . 1 82 82 SER CB C 13 63.53159431 0.0141552872 . 1 . . . . . 411 SER CB . 53100 1 353 . 1 . 1 82 82 SER N N 15 114.4126236 0.0134949313 . 1 . . . . . 411 SER N . 53100 1 354 . 1 . 1 83 83 LEU H H 1 8.152727673 0.003133384 . 1 . . . . . 412 LEU H . 53100 1 355 . 1 . 1 83 83 LEU C C 13 177.6636478 0.0093282927 . 1 . . . . . 412 LEU C . 53100 1 356 . 1 . 1 83 83 LEU CA C 13 55.5091055 0.0006087412 . 1 . . . . . 412 LEU CA . 53100 1 357 . 1 . 1 83 83 LEU CB C 13 42.12638865 0.0094354431 . 1 . . . . . 412 LEU CB . 53100 1 358 . 1 . 1 83 83 LEU N N 15 123.799107 0.0215982793 . 1 . . . . . 412 LEU N . 53100 1 359 . 1 . 1 84 84 ALA H H 1 8.221661933 0.0035266923 . 1 . . . . . 413 ALA H . 53100 1 360 . 1 . 1 84 84 ALA C C 13 178.5019675 0.0083909246 . 1 . . . . . 413 ALA C . 53100 1 361 . 1 . 1 84 84 ALA CA C 13 52.9978018 0.0163252562 . 1 . . . . . 413 ALA CA . 53100 1 362 . 1 . 1 84 84 ALA CB C 13 18.95713733 0.010146821 . 1 . . . . . 413 ALA CB . 53100 1 363 . 1 . 1 84 84 ALA N N 15 123.9428239 0.0208277438 . 1 . . . . . 413 ALA N . 53100 1 364 . 1 . 1 85 85 GLY H H 1 8.364828268 0.0039244338 . 1 . . . . . 414 GLY H . 53100 1 365 . 1 . 1 85 85 GLY C C 13 174.2543371 0.0075340469 . 1 . . . . . 414 GLY C . 53100 1 366 . 1 . 1 85 85 GLY CA C 13 45.26449918 0.0039422907 . 1 . . . . . 414 GLY CA . 53100 1 367 . 1 . 1 85 85 GLY N N 15 108.0674165 0.016129267 . 1 . . . . . 414 GLY N . 53100 1 368 . 1 . 1 86 86 ALA H H 1 8.246702359 0.0045037313 . 1 . . . . . 415 ALA H . 53100 1 369 . 1 . 1 86 86 ALA C C 13 178.5130273 0.0101016103 . 1 . . . . . 415 ALA C . 53100 1 370 . 1 . 1 86 86 ALA CA C 13 52.86860159 0.0436163357 . 1 . . . . . 415 ALA CA . 53100 1 371 . 1 . 1 86 86 ALA CB C 13 19.149223 0.0302746025 . 1 . . . . . 415 ALA CB . 53100 1 372 . 1 . 1 86 86 ALA N N 15 123.8602283 0.0192669232 . 1 . . . . . 415 ALA N . 53100 1 373 . 1 . 1 87 87 GLY H H 1 8.511458927 0.0040308576 . 1 . . . . . 416 GLY H . 53100 1 374 . 1 . 1 87 87 GLY C C 13 174.0908453 0.014295579 . 1 . . . . . 416 GLY C . 53100 1 375 . 1 . 1 87 87 GLY CA C 13 45.23077321 0.0124992719 . 1 . . . . . 416 GLY CA . 53100 1 376 . 1 . 1 87 87 GLY N N 15 108.3107622 0.0136117446 . 1 . . . . . 416 GLY N . 53100 1 377 . 1 . 1 88 88 ALA H H 1 8.198691288 0.0053187139 . 1 . . . . . 417 ALA H . 53100 1 378 . 1 . 1 88 88 ALA C C 13 177.56582 0.0090729044 . 1 . . . . . 417 ALA C . 53100 1 379 . 1 . 1 88 88 ALA CA C 13 52.52199325 0.0283520383 . 1 . . . . . 417 ALA CA . 53100 1 380 . 1 . 1 88 88 ALA CB C 13 19.29124316 0.0130692473 . 1 . . . . . 417 ALA CB . 53100 1 381 . 1 . 1 88 88 ALA N N 15 123.9216159 0.0177982606 . 1 . . . . . 417 ALA N . 53100 1 382 . 1 . 1 89 89 ALA H H 1 8.401517284 0.001197826805 . 1 . . . . . 418 ALA H . 53100 1 383 . 1 . 1 89 89 ALA C C 13 177.9886003 0.0112478204 . 1 . . . . . 418 ALA C . 53100 1 384 . 1 . 1 89 89 ALA CA C 13 52.38598565 0.023010799 . 1 . . . . . 418 ALA CA . 53100 1 385 . 1 . 1 89 89 ALA CB C 13 19.36899893 . . 1 . . . . . 418 ALA CB . 53100 1 386 . 1 . 1 89 89 ALA N N 15 123.3284355 0.009087925398 . 1 . . . . . 418 ALA N . 53100 1 387 . 1 . 1 90 90 GLY H H 1 8.279477703 0.0042964851 . 1 . . . . . 419 GLY H . 53100 1 388 . 1 . 1 90 90 GLY C C 13 172.126 . . 1 . . . . . 419 GLY C . 53100 1 389 . 1 . 1 90 90 GLY CA C 13 44.55241857 0.0082080552 . 1 . . . . . 419 GLY CA . 53100 1 390 . 1 . 1 90 90 GLY N N 15 108.2638822 0.010149582 . 1 . . . . . 419 GLY N . 53100 1 391 . 1 . 1 91 91 PRO C C 13 177.9256894 0.0098553761 . 1 . . . . . 420 PRO C . 53100 1 392 . 1 . 1 91 91 PRO CA C 13 63.57456212 0.0240516551 . 1 . . . . . 420 PRO CA . 53100 1 393 . 1 . 1 91 91 PRO CB C 13 32.1123635 . . 1 . . . . . 420 PRO CB . 53100 1 394 . 1 . 1 92 92 GLY H H 1 8.722904594 0.0040788262 . 1 . . . . . 421 GLY H . 53100 1 395 . 1 . 1 92 92 GLY C C 13 174.498057 0.0022073323 . 1 . . . . . 421 GLY C . 53100 1 396 . 1 . 1 92 92 GLY CA C 13 45.25534729 0.0139192434 . 1 . . . . . 421 GLY CA . 53100 1 397 . 1 . 1 92 92 GLY N N 15 110.1606289 0.0049940975 . 1 . . . . . 421 GLY N . 53100 1 398 . 1 . 1 93 93 SER H H 1 8.345294492 0.0043838056 . 1 . . . . . 422 SER H . 53100 1 399 . 1 . 1 93 93 SER C C 13 175.1681721 0.0231380874 . 1 . . . . . 422 SER C . 53100 1 400 . 1 . 1 93 93 SER CA C 13 58.65377981 0.0615127065 . 1 . . . . . 422 SER CA . 53100 1 401 . 1 . 1 93 93 SER CB C 13 64.02074601 0.0702743273 . 1 . . . . . 422 SER CB . 53100 1 402 . 1 . 1 93 93 SER N N 15 115.7269335 0.0143325009 . 1 . . . . . 422 SER N . 53100 1 403 . 1 . 1 94 94 GLY H H 1 8.609545631 0.0031980212 . 1 . . . . . 423 GLY H . 53100 1 404 . 1 . 1 94 94 GLY C C 13 173.8857214 0.0047813274 . 1 . . . . . 423 GLY C . 53100 1 405 . 1 . 1 94 94 GLY CA C 13 45.05555564 0.0177655822 . 1 . . . . . 423 GLY CA . 53100 1 406 . 1 . 1 94 94 GLY N N 15 110.9904422 0.0107824249 . 1 . . . . . 423 GLY N . 53100 1 407 . 1 . 1 95 95 SER H H 1 8.306374629 0.0098875176 . 1 . . . . . 424 SER H . 53100 1 408 . 1 . 1 95 95 SER C C 13 172.8903049 . . 1 . . . . . 424 SER C . 53100 1 409 . 1 . 1 95 95 SER CA C 13 56.46594813 0.0057407906 . 1 . . . . . 424 SER CA . 53100 1 410 . 1 . 1 95 95 SER CB C 13 63.32812871 . . 1 . . . . . 424 SER CB . 53100 1 411 . 1 . 1 95 95 SER N N 15 117.0325573 0.0296385343 . 1 . . . . . 424 SER N . 53100 1 412 . 1 . 1 96 96 PRO C C 13 177.1934363 0.0077580301 . 1 . . . . . 425 PRO C . 53100 1 413 . 1 . 1 96 96 PRO CA C 13 63.38008691 0.055176237 . 1 . . . . . 425 PRO CA . 53100 1 414 . 1 . 1 96 96 PRO CB C 13 32.09114299 . . 1 . . . . . 425 PRO CB . 53100 1 415 . 1 . 1 97 97 SER H H 1 8.504556484 0.0035912704 . 1 . . . . . 426 SER H . 53100 1 416 . 1 . 1 97 97 SER C C 13 174.4517062 0.0485556282 . 1 . . . . . 426 SER C . 53100 1 417 . 1 . 1 97 97 SER CA C 13 58.41420414 0.0737417391 . 1 . . . . . 426 SER CA . 53100 1 418 . 1 . 1 97 97 SER CB C 13 63.81593312 0.0369649653 . 1 . . . . . 426 SER CB . 53100 1 419 . 1 . 1 97 97 SER N N 15 116.283468 0.0077135188 . 1 . . . . . 426 SER N . 53100 1 420 . 1 . 1 98 98 ALA H H 1 8.375364255 0.0034405556 . 1 . . . . . 427 ALA H . 53100 1 421 . 1 . 1 98 98 ALA C C 13 177.7337152 0.0247139372 . 1 . . . . . 427 ALA C . 53100 1 422 . 1 . 1 98 98 ALA CA C 13 52.73685748 0.0849836983 . 1 . . . . . 427 ALA CA . 53100 1 423 . 1 . 1 98 98 ALA CB C 13 19.08724383 0.0300243711 . 1 . . . . . 427 ALA CB . 53100 1 424 . 1 . 1 98 98 ALA N N 15 125.9835665 0.0094541701 . 1 . . . . . 427 ALA N . 53100 1 425 . 1 . 1 99 99 ALA H H 1 8.348088803 0.0042817357 . 1 . . . . . 428 ALA H . 53100 1 426 . 1 . 1 99 99 ALA C C 13 177.8724678 0.0088545654 . 1 . . . . . 428 ALA C . 53100 1 427 . 1 . 1 99 99 ALA CA C 13 52.56984476 0.0294349414 . 1 . . . . . 428 ALA CA . 53100 1 428 . 1 . 1 99 99 ALA CB C 13 19.07306836 0.0214645597 . 1 . . . . . 428 ALA CB . 53100 1 429 . 1 . 1 99 99 ALA N N 15 123.4081248 0.0182536432 . 1 . . . . . 428 ALA N . 53100 1 430 . 1 . 1 100 100 ALA H H 1 8.388439548 0.0031890461 . 1 . . . . . 429 ALA H . 53100 1 431 . 1 . 1 100 100 ALA C C 13 178.1622066 0.0104688193 . 1 . . . . . 429 ALA C . 53100 1 432 . 1 . 1 100 100 ALA CA C 13 52.65429364 0.0260517963 . 1 . . . . . 429 ALA CA . 53100 1 433 . 1 . 1 100 100 ALA CB C 13 19.1058396 0.0082945793 . 1 . . . . . 429 ALA CB . 53100 1 434 . 1 . 1 100 100 ALA N N 15 123.6089219 0.0093507832 . 1 . . . . . 429 ALA N . 53100 1 435 . 1 . 1 101 101 SER H H 1 8.409217096 0.0043984897 . 1 . . . . . 430 SER H . 53100 1 436 . 1 . 1 101 101 SER C C 13 174.8636655 0.0094976181 . 1 . . . . . 430 SER C . 53100 1 437 . 1 . 1 101 101 SER CA C 13 58.40733874 0.0227690238 . 1 . . . . . 430 SER CA . 53100 1 438 . 1 . 1 101 101 SER CB C 13 63.7282713 0.0038598758 . 1 . . . . . 430 SER CB . 53100 1 439 . 1 . 1 101 101 SER N N 15 115.2406889 0.0081073471 . 1 . . . . . 430 SER N . 53100 1 440 . 1 . 1 102 102 SER H H 1 8.468366832 0.0029916846 . 1 . . . . . 431 SER H . 53100 1 441 . 1 . 1 102 102 SER C C 13 174.7772046 . . 1 . . . . . 431 SER C . 53100 1 442 . 1 . 1 102 102 SER CA C 13 58.43559069 0.0495848875 . 1 . . . . . 431 SER CA . 53100 1 443 . 1 . 1 102 102 SER CB C 13 63.6805783 . . 1 . . . . . 431 SER CB . 53100 1 444 . 1 . 1 102 102 SER N N 15 118.1104408 0.020886854 . 1 . . . . . 431 SER N . 53100 1 445 . 1 . 1 103 103 SER H H 1 8.457853616 0.0114172409 . 1 . . . . . 432 SER H . 53100 1 446 . 1 . 1 103 103 SER C C 13 174.5698577 . . 1 . . . . . 432 SER C . 53100 1 447 . 1 . 1 103 103 SER CA C 13 58.37417542 0.0371528517 . 1 . . . . . 432 SER CA . 53100 1 448 . 1 . 1 103 103 SER CB C 13 63.75748526 0.0109132359 . 1 . . . . . 432 SER CB . 53100 1 449 . 1 . 1 103 103 SER N N 15 118.056719 0.0746652027 . 1 . . . . . 432 SER N . 53100 1 450 . 1 . 1 104 104 ALA H H 1 8.445495513 0.0038734492 . 1 . . . . . 433 ALA H . 53100 1 451 . 1 . 1 104 104 ALA C C 13 177.7502928 0.0441405932 . 1 . . . . . 433 ALA C . 53100 1 452 . 1 . 1 104 104 ALA CA C 13 52.77027636 0.0290018554 . 1 . . . . . 433 ALA CA . 53100 1 453 . 1 . 1 104 104 ALA CB C 13 19.19474172 0.0679563194 . 1 . . . . . 433 ALA CB . 53100 1 454 . 1 . 1 104 104 ALA N N 15 126.5205864 0.0183910373 . 1 . . . . . 433 ALA N . 53100 1 455 . 1 . 1 105 105 ALA H H 1 8.332088712 0.0035042391 . 1 . . . . . 434 ALA H . 53100 1 456 . 1 . 1 105 105 ALA C C 13 178.1857335 0.0089021361 . 1 . . . . . 434 ALA C . 53100 1 457 . 1 . 1 105 105 ALA CA C 13 52.77859355 0.019744089 . 1 . . . . . 434 ALA CA . 53100 1 458 . 1 . 1 105 105 ALA CB C 13 19.0807706 0.0096699753 . 1 . . . . . 434 ALA CB . 53100 1 459 . 1 . 1 105 105 ALA N N 15 123.1884563 0.0067666875 . 1 . . . . . 434 ALA N . 53100 1 460 . 1 . 1 106 106 THR H H 1 8.195053032 0.0041290254 . 1 . . . . . 435 THR H . 53100 1 461 . 1 . 1 106 106 THR C C 13 174.6342033 0.0096145854 . 1 . . . . . 435 THR C . 53100 1 462 . 1 . 1 106 106 THR CA C 13 62.12941432 0.0145873843 . 1 . . . . . 435 THR CA . 53100 1 463 . 1 . 1 106 106 THR CB C 13 69.79517479 0.0211821207 . 1 . . . . . 435 THR CB . 53100 1 464 . 1 . 1 106 106 THR N N 15 114.3827758 0.0081315785 . 1 . . . . . 435 THR N . 53100 1 465 . 1 . 1 107 107 LEU H H 1 8.342268249 0.003266651 . 1 . . . . . 436 LEU H . 53100 1 466 . 1 . 1 107 107 LEU C C 13 177.2035729 0.006889503 . 1 . . . . . 436 LEU C . 53100 1 467 . 1 . 1 107 107 LEU CA C 13 55.16551226 0.0138200908 . 1 . . . . . 436 LEU CA . 53100 1 468 . 1 . 1 107 107 LEU CB C 13 42.37949739 0.0031492157 . 1 . . . . . 436 LEU CB . 53100 1 469 . 1 . 1 107 107 LEU N N 15 125.1837018 0.0102371664 . 1 . . . . . 436 LEU N . 53100 1 470 . 1 . 1 108 108 ALA H H 1 8.427218275 0.0101436872 . 1 . . . . . 437 ALA H . 53100 1 471 . 1 . 1 108 108 ALA C C 13 178.0517197 0.0090196684 . 1 . . . . . 437 ALA C . 53100 1 472 . 1 . 1 108 108 ALA CA C 13 52.6255213 0.0409416882 . 1 . . . . . 437 ALA CA . 53100 1 473 . 1 . 1 108 108 ALA CB C 13 19.21339501 0.0713389295 . 1 . . . . . 437 ALA CB . 53100 1 474 . 1 . 1 108 108 ALA N N 15 125.4008293 0.0326212264 . 1 . . . . . 437 ALA N . 53100 1 475 . 1 . 1 109 109 THR H H 1 8.207024339 0.0037326676 . 1 . . . . . 438 THR H . 53100 1 476 . 1 . 1 109 109 THR C C 13 174.5612473 0.0072746244 . 1 . . . . . 438 THR C . 53100 1 477 . 1 . 1 109 109 THR CA C 13 61.8017828 0.0166090705 . 1 . . . . . 438 THR CA . 53100 1 478 . 1 . 1 109 109 THR CB C 13 69.96741407 0.0023507366 . 1 . . . . . 438 THR CB . 53100 1 479 . 1 . 1 109 109 THR N N 15 113.7632483 0.0081967285 . 1 . . . . . 438 THR N . 53100 1 480 . 1 . 1 110 110 ALA H H 1 8.44962211 0.0038231483 . 1 . . . . . 439 ALA H . 53100 1 481 . 1 . 1 110 110 ALA C C 13 177.9999348 0.0084061507 . 1 . . . . . 439 ALA C . 53100 1 482 . 1 . 1 110 110 ALA CA C 13 52.75753363 0.0209752433 . 1 . . . . . 439 ALA CA . 53100 1 483 . 1 . 1 110 110 ALA CB C 13 19.19127982 0.0009925982 . 1 . . . . . 439 ALA CB . 53100 1 484 . 1 . 1 110 110 ALA N N 15 126.4639604 0.0155825585 . 1 . . . . . 439 ALA N . 53100 1 485 . 1 . 1 111 111 GLU H H 1 8.497052279 0.0029411225 . 1 . . . . . 440 GLU H . 53100 1 486 . 1 . 1 111 111 GLU C C 13 176.8948713 0.0062585837 . 1 . . . . . 440 GLU C . 53100 1 487 . 1 . 1 111 111 GLU CA C 13 56.74598689 0.0089269843 . 1 . . . . . 440 GLU CA . 53100 1 488 . 1 . 1 111 111 GLU CB C 13 30.23780526 0.019179041 . 1 . . . . . 440 GLU CB . 53100 1 489 . 1 . 1 111 111 GLU N N 15 120.4183015 0.0046403687 . 1 . . . . . 440 GLU N . 53100 1 490 . 1 . 1 112 112 GLU H H 1 8.528845862 0.0031174541 . 1 . . . . . 441 GLU H . 53100 1 491 . 1 . 1 112 112 GLU C C 13 177.3530982 0.0078905067 . 1 . . . . . 441 GLU C . 53100 1 492 . 1 . 1 112 112 GLU CA C 13 57.08848189 0.0344400464 . 1 . . . . . 441 GLU CA . 53100 1 493 . 1 . 1 112 112 GLU CB C 13 30.21819764 0.0139730572 . 1 . . . . . 441 GLU CB . 53100 1 494 . 1 . 1 112 112 GLU N N 15 122.2727364 0.0052256527 . 1 . . . . . 441 GLU N . 53100 1 495 . 1 . 1 113 113 GLY H H 1 8.574685382 0.0044259838 . 1 . . . . . 442 GLY H . 53100 1 496 . 1 . 1 113 113 GLY C C 13 174.1889568 0.0078742257 . 1 . . . . . 442 GLY C . 53100 1 497 . 1 . 1 113 113 GLY CA C 13 45.3778737 0.0162671802 . 1 . . . . . 442 GLY CA . 53100 1 498 . 1 . 1 113 113 GLY N N 15 110.1179907 0.0102370625 . 1 . . . . . 442 GLY N . 53100 1 499 . 1 . 1 114 114 GLN H H 1 8.251756192 0.0029817572 . 1 . . . . . 443 GLN H . 53100 1 500 . 1 . 1 114 114 GLN C C 13 176.1335142 0.0093199567 . 1 . . . . . 443 GLN C . 53100 1 501 . 1 . 1 114 114 GLN CA C 13 55.67065892 0.0059388199 . 1 . . . . . 443 GLN CA . 53100 1 502 . 1 . 1 114 114 GLN CB C 13 29.43687239 0.0123147077 . 1 . . . . . 443 GLN CB . 53100 1 503 . 1 . 1 114 114 GLN N N 15 119.7769097 0.0080617788 . 1 . . . . . 443 GLN N . 53100 1 504 . 1 . 1 115 115 LEU H H 1 8.428262653 0.0034556459 . 1 . . . . . 444 LEU H . 53100 1 505 . 1 . 1 115 115 LEU C C 13 177.1819197 0.0148750314 . 1 . . . . . 444 LEU C . 53100 1 506 . 1 . 1 115 115 LEU CA C 13 55.11055672 0.0061342145 . 1 . . . . . 444 LEU CA . 53100 1 507 . 1 . 1 115 115 LEU CB C 13 42.38541645 0.0367486619 . 1 . . . . . 444 LEU CB . 53100 1 508 . 1 . 1 115 115 LEU N N 15 123.96612 0.0165736728 . 1 . . . . . 444 LEU N . 53100 1 509 . 1 . 1 116 116 ALA H H 1 8.425206271 0.0136423631 . 1 . . . . . 445 ALA H . 53100 1 510 . 1 . 1 116 116 ALA C C 13 177.8466069 0.0081740304 . 1 . . . . . 445 ALA C . 53100 1 511 . 1 . 1 116 116 ALA CA C 13 52.44426872 0.0401396178 . 1 . . . . . 445 ALA CA . 53100 1 512 . 1 . 1 116 116 ALA CB C 13 19.37022949 0.0461262714 . 1 . . . . . 445 ALA CB . 53100 1 513 . 1 . 1 116 116 ALA N N 15 125.4613572 0.0174202924 . 1 . . . . . 445 ALA N . 53100 1 514 . 1 . 1 117 117 GLY H H 1 8.296337528 0.0040910677 . 1 . . . . . 446 GLY H . 53100 1 515 . 1 . 1 117 117 GLY C C 13 179.6484306 . . 1 . . . . . 446 GLY C . 53100 1 516 . 1 . 1 117 117 GLY CA C 13 44.42584248 0.001348667 . 1 . . . . . 446 GLY CA . 53100 1 517 . 1 . 1 117 117 GLY N N 15 108.7355912 0.013248677 . 1 . . . . . 446 GLY N . 53100 1 518 . 1 . 1 118 118 PRO C C 13 176.4969468 0.0071193289 . 1 . . . . . 447 PRO C . 53100 1 519 . 1 . 1 118 118 PRO CA C 13 63.36215302 0.0198397005 . 1 . . . . . 447 PRO CA . 53100 1 520 . 1 . 1 118 118 PRO CB C 13 32.08661232 0.0091789619 . 1 . . . . . 447 PRO CB . 53100 1 521 . 1 . 1 119 119 CYS H H 1 8.213296375 0.0022811185 . 1 . . . . . 448 CYS H . 53100 1 522 . 1 . 1 119 119 CYS C C 13 178.8538926 . . 1 . . . . . 448 CYS C . 53100 1 523 . 1 . 1 119 119 CYS CA C 13 59.50477275 0.0016947641 . 1 . . . . . 448 CYS CA . 53100 1 524 . 1 . 1 119 119 CYS CB C 13 29.08232062 . . 1 . . . . . 448 CYS CB . 53100 1 525 . 1 . 1 119 119 CYS N N 15 123.904887 0.0272967282 . 1 . . . . . 448 CYS N . 53100 1 stop_ save_