################################### # 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 53096 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'ERa AD' _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' . . . 53096 1 2 '3D HNCO' . . . 53096 1 3 '3D HNCA' . . . 53096 1 4 '3D HN(CA)CO' . . . 53096 1 5 '3D HNCACB' . . . 53096 1 6 '3D HN(CO)CACB' . . . 53096 1 7 '3D HN(CA)NNH' . . . 53096 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 . . 53096 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 MET H H 1 8.76620333 0.004356219748 . 1 . . . . . 1 MET H . 53096 1 2 . 1 . 1 1 1 MET C C 13 176.450091 0.0164562514 . 1 . . . . . 1 MET C . 53096 1 3 . 1 . 1 1 1 MET CA C 13 55.55503053 0.02214968785 . 1 . . . . . 1 MET CA . 53096 1 4 . 1 . 1 1 1 MET N N 15 120.8822713 0.005652270871 . 1 . . . . . 1 MET N . 53096 1 5 . 1 . 1 2 2 THR H H 1 8.298663559 0.002325079654 . 1 . . . . . 2 THR H . 53096 1 6 . 1 . 1 2 2 THR C C 13 174.3593266 0.000552061296 . 1 . . . . . 2 THR C . 53096 1 7 . 1 . 1 2 2 THR CA C 13 62.15951795 0.01499602079 . 1 . . . . . 2 THR CA . 53096 1 8 . 1 . 1 2 2 THR CB C 13 69.62020904 . . 1 . . . . . 2 THR CB . 53096 1 9 . 1 . 1 2 2 THR N N 15 116.8073823 0.01344613513 . 1 . . . . . 2 THR N . 53096 1 10 . 1 . 1 3 3 MET H H 1 8.599676734 0.005293027365 . 1 . . . . . 3 MET H . 53096 1 11 . 1 . 1 3 3 MET C C 13 176.1709928 0.01134234465 . 1 . . . . . 3 MET C . 53096 1 12 . 1 . 1 3 3 MET CA C 13 55.29161422 . . 1 . . . . . 3 MET CA . 53096 1 13 . 1 . 1 3 3 MET CB C 13 32.84885375 . . 1 . . . . . 3 MET CB . 53096 1 14 . 1 . 1 3 3 MET N N 15 123.6538068 0.01460372538 . 1 . . . . . 3 MET N . 53096 1 15 . 1 . 1 4 4 THR H H 1 8.349938666 0.002509413742 . 1 . . . . . 4 THR H . 53096 1 16 . 1 . 1 4 4 THR C C 13 174.2207433 0.00171399022 . 1 . . . . . 4 THR C . 53096 1 17 . 1 . 1 4 4 THR CA C 13 62.13999397 . . 1 . . . . . 4 THR CA . 53096 1 18 . 1 . 1 4 4 THR CB C 13 69.79831929 . . 1 . . . . . 4 THR CB . 53096 1 19 . 1 . 1 4 4 THR N N 15 117.0030933 0.01545407052 . 1 . . . . . 4 THR N . 53096 1 20 . 1 . 1 5 5 LEU H H 1 8.423943976 0.002532474549 . 1 . . . . . 5 LEU H . 53096 1 21 . 1 . 1 5 5 LEU C C 13 177.0567359 0.01307260534 . 1 . . . . . 5 LEU C . 53096 1 22 . 1 . 1 5 5 LEU CA C 13 55.20069057 0.006658877447 . 1 . . . . . 5 LEU CA . 53096 1 23 . 1 . 1 5 5 LEU CB C 13 42.6567831 0.1742529651 . 1 . . . . . 5 LEU CB . 53096 1 24 . 1 . 1 5 5 LEU N N 15 125.06338 0.007778470565 . 1 . . . . . 5 LEU N . 53096 1 25 . 1 . 1 6 6 HIS H H 1 8.416967659 0.002630732795 . 1 . . . . . 6 HIS H . 53096 1 26 . 1 . 1 6 6 HIS C C 13 175.8218426 0.01805631333 . 1 . . . . . 6 HIS C . 53096 1 27 . 1 . 1 6 6 HIS CA C 13 56.46092989 . . 1 . . . . . 6 HIS CA . 53096 1 28 . 1 . 1 6 6 HIS N N 15 121.0524391 0.01213187889 . 1 . . . . . 6 HIS N . 53096 1 29 . 1 . 1 7 7 THR H H 1 8.199181032 0.003607078068 . 1 . . . . . 7 THR H . 53096 1 30 . 1 . 1 7 7 THR C C 13 174.5863052 0.0110645572 . 1 . . . . . 7 THR C . 53096 1 31 . 1 . 1 7 7 THR CA C 13 61.95849694 . . 1 . . . . . 7 THR CA . 53096 1 32 . 1 . 1 7 7 THR CB C 13 69.93888334 . . 1 . . . . . 7 THR CB . 53096 1 33 . 1 . 1 7 7 THR N N 15 115.9521594 0.01806493077 . 1 . . . . . 7 THR N . 53096 1 34 . 1 . 1 8 8 LYS H H 1 8.554130534 0.002148099774 . 1 . . . . . 8 LYS H . 53096 1 35 . 1 . 1 8 8 LYS C C 13 176.6711656 0.006527149904 . 1 . . . . . 8 LYS C . 53096 1 36 . 1 . 1 8 8 LYS CA C 13 56.59245933 . . 1 . . . . . 8 LYS CA . 53096 1 37 . 1 . 1 8 8 LYS N N 15 124.1848341 0.01179253705 . 1 . . . . . 8 LYS N . 53096 1 38 . 1 . 1 9 9 ALA H H 1 8.498785455 0.003698867814 . 1 . . . . . 9 ALA H . 53096 1 39 . 1 . 1 9 9 ALA C C 13 178.0446845 0.0003361103329 . 1 . . . . . 9 ALA C . 53096 1 40 . 1 . 1 9 9 ALA CA C 13 52.69758197 . . 1 . . . . . 9 ALA CA . 53096 1 41 . 1 . 1 9 9 ALA CB C 13 19.1640663 . . 1 . . . . . 9 ALA CB . 53096 1 42 . 1 . 1 9 9 ALA N N 15 125.4238371 0.009082436404 . 1 . . . . . 9 ALA N . 53096 1 43 . 1 . 1 10 10 SER H H 1 8.427397442 0.004996580548 . 1 . . . . . 10 SER H . 53096 1 44 . 1 . 1 10 10 SER C C 13 175.3460677 0.007084222518 . 1 . . . . . 10 SER C . 53096 1 45 . 1 . 1 10 10 SER CA C 13 58.78062386 . . 1 . . . . . 10 SER CA . 53096 1 46 . 1 . 1 10 10 SER CB C 13 63.83894952 0 . 1 . . . . . 10 SER CB . 53096 1 47 . 1 . 1 10 10 SER N N 15 115.444382 0.01198137006 . 1 . . . . . 10 SER N . 53096 1 48 . 1 . 1 11 11 GLY H H 1 8.522364263 0.001033646949 . 1 . . . . . 11 GLY H . 53096 1 49 . 1 . 1 11 11 GLY C C 13 174.612022 0.001392641432 . 1 . . . . . 11 GLY C . 53096 1 50 . 1 . 1 11 11 GLY CA C 13 45.61183838 0.03841888904 . 1 . . . . . 11 GLY CA . 53096 1 51 . 1 . 1 11 11 GLY N N 15 110.6916116 0.004053633713 . 1 . . . . . 11 GLY N . 53096 1 52 . 1 . 1 12 12 MET H H 1 8.266102097 0.001468992181 . 1 . . . . . 12 MET H . 53096 1 53 . 1 . 1 12 12 MET C C 13 176.3236268 0.01414633909 . 1 . . . . . 12 MET C . 53096 1 54 . 1 . 1 12 12 MET CA C 13 55.75319493 0.02190544495 . 1 . . . . . 12 MET CA . 53096 1 55 . 1 . 1 12 12 MET CB C 13 32.78652645 0 . 1 . . . . . 12 MET CB . 53096 1 56 . 1 . 1 12 12 MET N N 15 120.3037279 0.008372052786 . 1 . . . . . 12 MET N . 53096 1 57 . 1 . 1 13 13 ALA H H 1 8.3520347 0.00129831702 . 1 . . . . . 13 ALA H . 53096 1 58 . 1 . 1 13 13 ALA C C 13 177.9323201 0.002512271403 . 1 . . . . . 13 ALA C . 53096 1 59 . 1 . 1 13 13 ALA CA C 13 52.87032671 0.01013787532 . 1 . . . . . 13 ALA CA . 53096 1 60 . 1 . 1 13 13 ALA CB C 13 18.93622843 0.0170686975 . 1 . . . . . 13 ALA CB . 53096 1 61 . 1 . 1 13 13 ALA N N 15 124.6111899 0.01837532476 . 1 . . . . . 13 ALA N . 53096 1 62 . 1 . 1 14 14 LEU H H 1 8.156179706 0.0008727947191 . 1 . . . . . 14 LEU H . 53096 1 63 . 1 . 1 14 14 LEU C C 13 177.5433583 0.008865779515 . 1 . . . . . 14 LEU C . 53096 1 64 . 1 . 1 14 14 LEU CA C 13 55.36862774 0.1251913223 . 1 . . . . . 14 LEU CA . 53096 1 65 . 1 . 1 14 14 LEU CB C 13 42.1454141 0.02690532077 . 1 . . . . . 14 LEU CB . 53096 1 66 . 1 . 1 14 14 LEU N N 15 120.8305811 0.006363111717 . 1 . . . . . 14 LEU N . 53096 1 67 . 1 . 1 15 15 LEU H H 1 8.133086926 0.001224848133 . 1 . . . . . 15 LEU H . 53096 1 68 . 1 . 1 15 15 LEU C C 13 177.294641 0.005673312563 . 1 . . . . . 15 LEU C . 53096 1 69 . 1 . 1 15 15 LEU CA C 13 55.59869591 0.01648420235 . 1 . . . . . 15 LEU CA . 53096 1 70 . 1 . 1 15 15 LEU CB C 13 42.23251104 . . 1 . . . . . 15 LEU CB . 53096 1 71 . 1 . 1 15 15 LEU N N 15 122.0299218 0.005196201786 . 1 . . . . . 15 LEU N . 53096 1 72 . 1 . 1 16 16 HIS H H 1 8.222582857 0.002583895095 . 1 . . . . . 16 HIS H . 53096 1 73 . 1 . 1 16 16 HIS C C 13 175.3986471 0.004918481144 . 1 . . . . . 16 HIS C . 53096 1 74 . 1 . 1 16 16 HIS CA C 13 56.41023254 0.0708403538 . 1 . . . . . 16 HIS CA . 53096 1 75 . 1 . 1 16 16 HIS CB C 13 30.75996551 0.03196353891 . 1 . . . . . 16 HIS CB . 53096 1 76 . 1 . 1 16 16 HIS N N 15 119.377836 0.01657357699 . 1 . . . . . 16 HIS N . 53096 1 77 . 1 . 1 17 17 GLN H H 1 8.266030193 0.002872487763 . 1 . . . . . 17 GLN H . 53096 1 78 . 1 . 1 17 17 GLN C C 13 175.8891415 0.005020586533 . 1 . . . . . 17 GLN C . 53096 1 79 . 1 . 1 17 17 GLN CA C 13 55.81905912 0.002821462268 . 1 . . . . . 17 GLN CA . 53096 1 80 . 1 . 1 17 17 GLN CB C 13 29.44031494 0.07482610119 . 1 . . . . . 17 GLN CB . 53096 1 81 . 1 . 1 17 17 GLN N N 15 121.5848421 0.01222090789 . 1 . . . . . 17 GLN N . 53096 1 82 . 1 . 1 18 18 ILE H H 1 8.352376075 0.0008042263066 . 1 . . . . . 18 ILE H . 53096 1 83 . 1 . 1 18 18 ILE C C 13 176.4371123 0.007506973367 . 1 . . . . . 18 ILE C . 53096 1 84 . 1 . 1 18 18 ILE CA C 13 61.41760601 0.006294327757 . 1 . . . . . 18 ILE CA . 53096 1 85 . 1 . 1 18 18 ILE CB C 13 38.59193155 0.02544049104 . 1 . . . . . 18 ILE CB . 53096 1 86 . 1 . 1 18 18 ILE N N 15 122.7173161 0.004558105725 . 1 . . . . . 18 ILE N . 53096 1 87 . 1 . 1 19 19 GLN H H 1 8.70369971 0.00103358783 . 1 . . . . . 19 GLN H . 53096 1 88 . 1 . 1 19 19 GLN C C 13 176.4371198 . . 1 . . . . . 19 GLN C . 53096 1 89 . 1 . 1 19 19 GLN CA C 13 55.98273259 0.04130856528 . 1 . . . . . 19 GLN CA . 53096 1 90 . 1 . 1 19 19 GLN CB C 13 29.55918132 0.03056125393 . 1 . . . . . 19 GLN CB . 53096 1 91 . 1 . 1 19 19 GLN N N 15 124.8928294 0.005013237027 . 1 . . . . . 19 GLN N . 53096 1 92 . 1 . 1 20 20 GLY H H 1 8.647185033 0.001479612635 . 1 . . . . . 20 GLY H . 53096 1 93 . 1 . 1 20 20 GLY C C 13 173.9003352 0.005470560178 . 1 . . . . . 20 GLY C . 53096 1 94 . 1 . 1 20 20 GLY CA C 13 45.34985925 0.001755183884 . 1 . . . . . 20 GLY CA . 53096 1 95 . 1 . 1 20 20 GLY N N 15 110.8515586 0.01150666408 . 1 . . . . . 20 GLY N . 53096 1 96 . 1 . 1 21 21 ASN H H 1 8.443051008 0.001276824696 . 1 . . . . . 21 ASN H . 53096 1 97 . 1 . 1 21 21 ASN C C 13 175.47742 0.00630269409 . 1 . . . . . 21 ASN C . 53096 1 98 . 1 . 1 21 21 ASN CA C 13 53.15204959 0.03625288479 . 1 . . . . . 21 ASN CA . 53096 1 99 . 1 . 1 21 21 ASN CB C 13 38.95090822 0.05793943615 . 1 . . . . . 21 ASN CB . 53096 1 100 . 1 . 1 21 21 ASN N N 15 118.7367447 0.01498817293 . 1 . . . . . 21 ASN N . 53096 1 101 . 1 . 1 22 22 GLU H H 1 8.726843759 0.001344560805 . 1 . . . . . 22 GLU H . 53096 1 102 . 1 . 1 22 22 GLU C C 13 176.4849638 0.007409767872 . 1 . . . . . 22 GLU C . 53096 1 103 . 1 . 1 22 22 GLU CA C 13 57.12983476 0.009467329683 . 1 . . . . . 22 GLU CA . 53096 1 104 . 1 . 1 22 22 GLU CB C 13 29.8609495 0.05671806529 . 1 . . . . . 22 GLU CB . 53096 1 105 . 1 . 1 22 22 GLU N N 15 121.2793444 0.007728654799 . 1 . . . . . 22 GLU N . 53096 1 106 . 1 . 1 23 23 LEU H H 1 8.337550127 0.003862696461 . 1 . . . . . 23 LEU H . 53096 1 107 . 1 . 1 23 23 LEU C C 13 177.3038154 0.003811516867 . 1 . . . . . 23 LEU C . 53096 1 108 . 1 . 1 23 23 LEU CA C 13 55.08495161 0.01347032562 . 1 . . . . . 23 LEU CA . 53096 1 109 . 1 . 1 23 23 LEU CB C 13 42.23328801 0.02929699311 . 1 . . . . . 23 LEU CB . 53096 1 110 . 1 . 1 23 23 LEU N N 15 122.2453259 0.00484575068 . 1 . . . . . 23 LEU N . 53096 1 111 . 1 . 1 24 24 GLU H H 1 8.310895426 0.002126999084 . 1 . . . . . 24 GLU H . 53096 1 112 . 1 . 1 24 24 GLU C C 13 174.5023742 . . 1 . . . . . 24 GLU C . 53096 1 113 . 1 . 1 24 24 GLU CA C 13 54.4507857 . . 1 . . . . . 24 GLU CA . 53096 1 114 . 1 . 1 24 24 GLU CB C 13 29.7007628 . . 1 . . . . . 24 GLU CB . 53096 1 115 . 1 . 1 24 24 GLU N N 15 122.712138 0.006533617939 . 1 . . . . . 24 GLU N . 53096 1 116 . 1 . 1 25 25 PRO C C 13 177.1695771 . . 1 . . . . . 25 PRO C . 53096 1 117 . 1 . 1 25 25 PRO CA C 13 63.39187143 . . 1 . . . . . 25 PRO CA . 53096 1 118 . 1 . 1 25 25 PRO CB C 13 32.0990766 0.0000935 . 1 . . . . . 25 PRO CB . 53096 1 119 . 1 . 1 26 26 LEU H H 1 8.488994526 0.001623449336 . 1 . . . . . 26 LEU H . 53096 1 120 . 1 . 1 26 26 LEU C C 13 177.3324311 0.003576354471 . 1 . . . . . 26 LEU C . 53096 1 121 . 1 . 1 26 26 LEU CA C 13 55.50688601 0.006614323915 . 1 . . . . . 26 LEU CA . 53096 1 122 . 1 . 1 26 26 LEU CB C 13 42.15639548 0.01232563897 . 1 . . . . . 26 LEU CB . 53096 1 123 . 1 . 1 26 26 LEU N N 15 121.3607716 0.011632533 . 1 . . . . . 26 LEU N . 53096 1 124 . 1 . 1 27 27 ASN H H 1 8.435308007 0.001977433788 . 1 . . . . . 27 ASN H . 53096 1 125 . 1 . 1 27 27 ASN C C 13 174.642897 0.001427163338 . 1 . . . . . 27 ASN C . 53096 1 126 . 1 . 1 27 27 ASN CA C 13 52.90327138 0.02656548656 . 1 . . . . . 27 ASN CA . 53096 1 127 . 1 . 1 27 27 ASN CB C 13 38.72499331 0.007892225337 . 1 . . . . . 27 ASN CB . 53096 1 128 . 1 . 1 27 27 ASN N N 15 118.6357287 0.00224475406 . 1 . . . . . 27 ASN N . 53096 1 129 . 1 . 1 28 28 ARG H H 1 8.234684836 0.001242733916 . 1 . . . . . 28 ARG H . 53096 1 130 . 1 . 1 28 28 ARG C C 13 174.0372479 . . 1 . . . . . 28 ARG C . 53096 1 131 . 1 . 1 28 28 ARG CA C 13 54.11378646 . . 1 . . . . . 28 ARG CA . 53096 1 132 . 1 . 1 28 28 ARG CB C 13 30.08337687 . . 1 . . . . . 28 ARG CB . 53096 1 133 . 1 . 1 28 28 ARG N N 15 122.3112521 0.009830036031 . 1 . . . . . 28 ARG N . 53096 1 134 . 1 . 1 29 29 PRO C C 13 176.8170645 . . 1 . . . . . 29 PRO C . 53096 1 135 . 1 . 1 29 29 PRO CA C 13 63.2471631 0.003473690984 . 1 . . . . . 29 PRO CA . 53096 1 136 . 1 . 1 29 29 PRO CB C 13 32.0925305 . . 1 . . . . . 29 PRO CB . 53096 1 137 . 1 . 1 30 30 GLN H H 1 8.671102344 0.001396501802 . 1 . . . . . 30 GLN H . 53096 1 138 . 1 . 1 30 30 GLN C C 13 175.9024985 0.00121111682 . 1 . . . . . 30 GLN C . 53096 1 139 . 1 . 1 30 30 GLN CA C 13 55.59376387 0.02513136944 . 1 . . . . . 30 GLN CA . 53096 1 140 . 1 . 1 30 30 GLN CB C 13 29.56747919 0.02182751015 . 1 . . . . . 30 GLN CB . 53096 1 141 . 1 . 1 30 30 GLN N N 15 121.2045235 0.006840854179 . 1 . . . . . 30 GLN N . 53096 1 142 . 1 . 1 31 31 LEU H H 1 8.422802507 0.001745512744 . 1 . . . . . 31 LEU H . 53096 1 143 . 1 . 1 31 31 LEU C C 13 177.083854 0.002894361172 . 1 . . . . . 31 LEU C . 53096 1 144 . 1 . 1 31 31 LEU CA C 13 55.0576172 0.006581439329 . 1 . . . . . 31 LEU CA . 53096 1 145 . 1 . 1 31 31 LEU CB C 13 42.4271898 0.01961877159 . 1 . . . . . 31 LEU CB . 53096 1 146 . 1 . 1 31 31 LEU N N 15 124.4786818 0.008791239663 . 1 . . . . . 31 LEU N . 53096 1 147 . 1 . 1 32 32 LYS H H 1 8.483201334 0.001464854611 . 1 . . . . . 32 LYS H . 53096 1 148 . 1 . 1 32 32 LYS C C 13 176.1203495 0.001765501282 . 1 . . . . . 32 LYS C . 53096 1 149 . 1 . 1 32 32 LYS CA C 13 56.01628728 0.009783168677 . 1 . . . . . 32 LYS CA . 53096 1 150 . 1 . 1 32 32 LYS CB C 13 32.85398952 0.01677778656 . 1 . . . . . 32 LYS CB . 53096 1 151 . 1 . 1 32 32 LYS N N 15 123.3399774 0.008081373472 . 1 . . . . . 32 LYS N . 53096 1 152 . 1 . 1 33 33 ILE H H 1 8.315276238 0.002136544092 . 1 . . . . . 33 ILE H . 53096 1 153 . 1 . 1 33 33 ILE C C 13 174.4274274 . . 1 . . . . . 33 ILE C . 53096 1 154 . 1 . 1 33 33 ILE CA C 13 58.56040588 . . 1 . . . . . 33 ILE CA . 53096 1 155 . 1 . 1 33 33 ILE CB C 13 38.51926312 . . 1 . . . . . 33 ILE CB . 53096 1 156 . 1 . 1 33 33 ILE N N 15 124.598053 0.007186440258 . 1 . . . . . 33 ILE N . 53096 1 157 . 1 . 1 34 34 PRO C C 13 176.642895 . . 1 . . . . . 34 PRO C . 53096 1 158 . 1 . 1 34 34 PRO CA C 13 63.00287221 . . 1 . . . . . 34 PRO CA . 53096 1 159 . 1 . 1 34 34 PRO CB C 13 32.10748704 0 . 1 . . . . . 34 PRO CB . 53096 1 160 . 1 . 1 35 35 LEU H H 1 8.417614451 0.002272838712 . 1 . . . . . 35 LEU H . 53096 1 161 . 1 . 1 35 35 LEU C C 13 177.4854519 0.005876600877 . 1 . . . . . 35 LEU C . 53096 1 162 . 1 . 1 35 35 LEU CA C 13 55.12607961 0.002678568637 . 1 . . . . . 35 LEU CA . 53096 1 163 . 1 . 1 35 35 LEU CB C 13 42.50570512 0.0196505511 . 1 . . . . . 35 LEU CB . 53096 1 164 . 1 . 1 35 35 LEU N N 15 122.7626955 0.02094892841 . 1 . . . . . 35 LEU N . 53096 1 165 . 1 . 1 36 36 GLU H H 1 8.498598415 0.001583633405 . 1 . . . . . 36 GLU H . 53096 1 166 . 1 . 1 36 36 GLU C C 13 176.0136325 0.002608560587 . 1 . . . . . 36 GLU C . 53096 1 167 . 1 . 1 36 36 GLU CA C 13 56.33138526 0.01477902896 . 1 . . . . . 36 GLU CA . 53096 1 168 . 1 . 1 36 36 GLU CB C 13 30.35707916 0.006257117685 . 1 . . . . . 36 GLU CB . 53096 1 169 . 1 . 1 36 36 GLU N N 15 122.2872867 0.008072115633 . 1 . . . . . 36 GLU N . 53096 1 170 . 1 . 1 37 37 ARG H H 1 8.466285247 0.001768811278 . 1 . . . . . 37 ARG H . 53096 1 171 . 1 . 1 37 37 ARG C C 13 173.9493863 . . 1 . . . . . 37 ARG C . 53096 1 172 . 1 . 1 37 37 ARG CA C 13 53.71030713 . . 1 . . . . . 37 ARG CA . 53096 1 173 . 1 . 1 37 37 ARG CB C 13 30.07280152 0.000000337 . 1 . . . . . 37 ARG CB . 53096 1 174 . 1 . 1 37 37 ARG N N 15 123.4849082 0.006191429793 . 1 . . . . . 37 ARG N . 53096 1 175 . 1 . 1 38 38 PRO C C 13 177.0050479 . . 1 . . . . . 38 PRO C . 53096 1 176 . 1 . 1 38 38 PRO CA C 13 62.92799684 . . 1 . . . . . 38 PRO CA . 53096 1 177 . 1 . 1 38 38 PRO CB C 13 32.15988515 0.01503310958 . 1 . . . . . 38 PRO CB . 53096 1 178 . 1 . 1 39 39 LEU H H 1 8.575808781 0.00163392444 . 1 . . . . . 39 LEU H . 53096 1 179 . 1 . 1 39 39 LEU C C 13 178.3026276 0.003501103506 . 1 . . . . . 39 LEU C . 53096 1 180 . 1 . 1 39 39 LEU CA C 13 55.75473332 0.002413011247 . 1 . . . . . 39 LEU CA . 53096 1 181 . 1 . 1 39 39 LEU CB C 13 42.1665831 0.02073454089 . 1 . . . . . 39 LEU CB . 53096 1 182 . 1 . 1 39 39 LEU N N 15 122.9919881 0.008687809713 . 1 . . . . . 39 LEU N . 53096 1 183 . 1 . 1 40 40 GLY H H 1 8.55070592 0.002582423094 . 1 . . . . . 40 GLY H . 53096 1 184 . 1 . 1 40 40 GLY C C 13 173.9998342 0.005411537998 . 1 . . . . . 40 GLY C . 53096 1 185 . 1 . 1 40 40 GLY CA C 13 45.17532405 0.00211625198 . 1 . . . . . 40 GLY CA . 53096 1 186 . 1 . 1 40 40 GLY N N 15 109.496356 0.009480140175 . 1 . . . . . 40 GLY N . 53096 1 187 . 1 . 1 41 41 GLU H H 1 8.155714141 0.002262974636 . 1 . . . . . 41 GLU H . 53096 1 188 . 1 . 1 41 41 GLU C C 13 176.3181127 0.003260604538 . 1 . . . . . 41 GLU C . 53096 1 189 . 1 . 1 41 41 GLU CA C 13 56.51989456 0.02415536624 . 1 . . . . . 41 GLU CA . 53096 1 190 . 1 . 1 41 41 GLU CB C 13 30.43271376 0.03045606883 . 1 . . . . . 41 GLU CB . 53096 1 191 . 1 . 1 41 41 GLU N N 15 120.59926 0.01788603679 . 1 . . . . . 41 GLU N . 53096 1 192 . 1 . 1 42 42 VAL H H 1 8.257569323 0.001788854941 . 1 . . . . . 42 VAL H . 53096 1 193 . 1 . 1 42 42 VAL C C 13 175.6701103 0.003216456619 . 1 . . . . . 42 VAL C . 53096 1 194 . 1 . 1 42 42 VAL CA C 13 62.3328298 0.01258550027 . 1 . . . . . 42 VAL CA . 53096 1 195 . 1 . 1 42 42 VAL CB C 13 32.92027514 0.04325442158 . 1 . . . . . 42 VAL CB . 53096 1 196 . 1 . 1 42 42 VAL N N 15 121.9380364 0.007686448273 . 1 . . . . . 42 VAL N . 53096 1 197 . 1 . 1 43 43 TYR H H 1 8.461723483 0.001393830061 . 1 . . . . . 43 TYR H . 53096 1 198 . 1 . 1 43 43 TYR C C 13 175.3598897 0.006983381621 . 1 . . . . . 43 TYR C . 53096 1 199 . 1 . 1 43 43 TYR CA C 13 57.65946274 0.0001931714352 . 1 . . . . . 43 TYR CA . 53096 1 200 . 1 . 1 43 43 TYR CB C 13 38.86065461 0.01125643393 . 1 . . . . . 43 TYR CB . 53096 1 201 . 1 . 1 43 43 TYR N N 15 125.0328741 0.01013740277 . 1 . . . . . 43 TYR N . 53096 1 202 . 1 . 1 44 44 LEU H H 1 8.26109307 0.001212184835 . 1 . . . . . 44 LEU H . 53096 1 203 . 1 . 1 44 44 LEU C C 13 176.4913276 0.008374321203 . 1 . . . . . 44 LEU C . 53096 1 204 . 1 . 1 44 44 LEU CA C 13 54.789571 0.007451874903 . 1 . . . . . 44 LEU CA . 53096 1 205 . 1 . 1 44 44 LEU CB C 13 42.71326006 0.04839624953 . 1 . . . . . 44 LEU CB . 53096 1 206 . 1 . 1 44 44 LEU N N 15 125.3885255 0.01106214103 . 1 . . . . . 44 LEU N . 53096 1 207 . 1 . 1 45 45 ASP H H 1 8.418618293 0.002619876133 . 1 . . . . . 45 ASP H . 53096 1 208 . 1 . 1 45 45 ASP C C 13 176.6140416 0.002515217974 . 1 . . . . . 45 ASP C . 53096 1 209 . 1 . 1 45 45 ASP CA C 13 54.12069208 0.04011155944 . 1 . . . . . 45 ASP CA . 53096 1 210 . 1 . 1 45 45 ASP CB C 13 41.04189679 0.03114892023 . 1 . . . . . 45 ASP CB . 53096 1 211 . 1 . 1 45 45 ASP N N 15 122.2034182 0.01246679471 . 1 . . . . . 45 ASP N . 53096 1 212 . 1 . 1 46 46 SER H H 1 8.485981862 0.001872214645 . 1 . . . . . 46 SER H . 53096 1 213 . 1 . 1 46 46 SER C C 13 174.7634009 0.01567686937 . 1 . . . . . 46 SER C . 53096 1 214 . 1 . 1 46 46 SER CA C 13 58.7049193 . . 1 . . . . . 46 SER CA . 53096 1 215 . 1 . 1 46 46 SER CB C 13 63.46378337 0.09872924086 . 1 . . . . . 46 SER CB . 53096 1 216 . 1 . 1 46 46 SER N N 15 117.944636 0.009818962033 . 1 . . . . . 46 SER N . 53096 1 217 . 1 . 1 47 47 SER C C 13 174.0832717 . . 1 . . . . . 47 SER C . 53096 1 218 . 1 . 1 47 47 SER CA C 13 59.01480546 . . 1 . . . . . 47 SER CA . 53096 1 219 . 1 . 1 47 47 SER CB C 13 63.84372229 . . 1 . . . . . 47 SER CB . 53096 1 220 . 1 . 1 48 48 LYS H H 1 8.088203217 0.001453123682 . 1 . . . . . 48 LYS H . 53096 1 221 . 1 . 1 48 48 LYS CA C 13 54.05868105 . . 1 . . . . . 48 LYS CA . 53096 1 222 . 1 . 1 48 48 LYS CB C 13 32.59273981 . . 1 . . . . . 48 LYS CB . 53096 1 223 . 1 . 1 48 48 LYS N N 15 123.9668085 0.006996672163 . 1 . . . . . 48 LYS N . 53096 1 224 . 1 . 1 49 49 PRO C C 13 176.4981378 . . 1 . . . . . 49 PRO C . 53096 1 225 . 1 . 1 49 49 PRO CA C 13 62.95917028 . . 1 . . . . . 49 PRO CA . 53096 1 226 . 1 . 1 49 49 PRO CB C 13 32.08550635 0.01600811039 . 1 . . . . . 49 PRO CB . 53096 1 227 . 1 . 1 50 50 ALA H H 1 8.514233042 0.0009685640775 . 1 . . . . . 50 ALA H . 53096 1 228 . 1 . 1 50 50 ALA C C 13 177.4382727 0.007848199383 . 1 . . . . . 50 ALA C . 53096 1 229 . 1 . 1 50 50 ALA CA C 13 52.39246317 0.006396155713 . 1 . . . . . 50 ALA CA . 53096 1 230 . 1 . 1 50 50 ALA CB C 13 19.19324084 0.007772397015 . 1 . . . . . 50 ALA CB . 53096 1 231 . 1 . 1 50 50 ALA N N 15 125.0240262 0.008776305505 . 1 . . . . . 50 ALA N . 53096 1 232 . 1 . 1 51 51 VAL H H 1 8.108508245 0.001131894433 . 1 . . . . . 51 VAL H . 53096 1 233 . 1 . 1 51 51 VAL C C 13 175.4702541 0.005168242956 . 1 . . . . . 51 VAL C . 53096 1 234 . 1 . 1 51 51 VAL CA C 13 61.957043 0.001859942318 . 1 . . . . . 51 VAL CA . 53096 1 235 . 1 . 1 51 51 VAL CB C 13 33.16065761 0.01523439968 . 1 . . . . . 51 VAL CB . 53096 1 236 . 1 . 1 51 51 VAL N N 15 119.4488913 0.01053180437 . 1 . . . . . 51 VAL N . 53096 1 237 . 1 . 1 52 52 TYR H H 1 8.383168579 0.003124666442 . 1 . . . . . 52 TYR H . 53096 1 238 . 1 . 1 52 52 TYR C C 13 174.7980589 0.005905301378 . 1 . . . . . 52 TYR C . 53096 1 239 . 1 . 1 52 52 TYR CA C 13 57.49143212 0.02736466703 . 1 . . . . . 52 TYR CA . 53096 1 240 . 1 . 1 52 52 TYR CB C 13 39.16926939 0.03774688156 . 1 . . . . . 52 TYR CB . 53096 1 241 . 1 . 1 52 52 TYR N N 15 124.5178948 0.006226602786 . 1 . . . . . 52 TYR N . 53096 1 242 . 1 . 1 53 53 ASN H H 1 8.234677987 0.001307516578 . 1 . . . . . 53 ASN H . 53096 1 243 . 1 . 1 53 53 ASN C C 13 173.7755701 0.002186809935 . 1 . . . . . 53 ASN C . 53096 1 244 . 1 . 1 53 53 ASN CA C 13 52.52626492 0.007239852067 . 1 . . . . . 53 ASN CA . 53096 1 245 . 1 . 1 53 53 ASN CB C 13 39.32745371 0.00133765334 . 1 . . . . . 53 ASN CB . 53096 1 246 . 1 . 1 53 53 ASN N N 15 121.4527514 0.007728666331 . 1 . . . . . 53 ASN N . 53096 1 247 . 1 . 1 54 54 TYR H H 1 8.154728687 0.002408860377 . 1 . . . . . 54 TYR H . 53096 1 248 . 1 . 1 54 54 TYR C C 13 174.0049679 . . 1 . . . . . 54 TYR C . 53096 1 249 . 1 . 1 54 54 TYR CA C 13 56.12261853 . . 1 . . . . . 54 TYR CA . 53096 1 250 . 1 . 1 54 54 TYR CB C 13 37.89401933 . . 1 . . . . . 54 TYR CB . 53096 1 251 . 1 . 1 54 54 TYR N N 15 121.9519228 0.00949077169 . 1 . . . . . 54 TYR N . 53096 1 252 . 1 . 1 55 55 PRO C C 13 176.88526 . . 1 . . . . . 55 PRO C . 53096 1 253 . 1 . 1 55 55 PRO CA C 13 63.28970604 . . 1 . . . . . 55 PRO CA . 53096 1 254 . 1 . 1 55 55 PRO CB C 13 31.95899897 . . 1 . . . . . 55 PRO CB . 53096 1 255 . 1 . 1 56 56 GLU H H 1 8.650707104 0.001125305777 . 1 . . . . . 56 GLU H . 53096 1 256 . 1 . 1 56 56 GLU C C 13 177.2915866 0.004447424566 . 1 . . . . . 56 GLU C . 53096 1 257 . 1 . 1 56 56 GLU CA C 13 57.10416452 0.00277454567 . 1 . . . . . 56 GLU CA . 53096 1 258 . 1 . 1 56 56 GLU CB C 13 30.06214084 0.05513681224 . 1 . . . . . 56 GLU CB . 53096 1 259 . 1 . 1 56 56 GLU N N 15 120.9761749 0.009865563936 . 1 . . . . . 56 GLU N . 53096 1 260 . 1 . 1 57 57 GLY H H 1 8.539702683 0.001336837013 . 1 . . . . . 57 GLY H . 53096 1 261 . 1 . 1 57 57 GLY C C 13 174.0700356 0.003823022817 . 1 . . . . . 57 GLY C . 53096 1 262 . 1 . 1 57 57 GLY CA C 13 45.30447705 0.003144609645 . 1 . . . . . 57 GLY CA . 53096 1 263 . 1 . 1 57 57 GLY N N 15 110.4945066 0.003591659278 . 1 . . . . . 57 GLY N . 53096 1 264 . 1 . 1 58 58 ALA H H 1 8.175449913 0.001415378245 . 1 . . . . . 58 ALA H . 53096 1 265 . 1 . 1 58 58 ALA C C 13 177.5908848 0.03995437605 . 1 . . . . . 58 ALA C . 53096 1 266 . 1 . 1 58 58 ALA CA C 13 52.66972625 0.01000313175 . 1 . . . . . 58 ALA CA . 53096 1 267 . 1 . 1 58 58 ALA CB C 13 19.27251579 . . 1 . . . . . 58 ALA CB . 53096 1 268 . 1 . 1 58 58 ALA N N 15 123.8073707 0.01120747442 . 1 . . . . . 58 ALA N . 53096 1 269 . 1 . 1 59 59 ALA H H 1 8.342368527 0.001260192795 . 1 . . . . . 59 ALA H . 53096 1 270 . 1 . 1 59 59 ALA C C 13 177.5503879 . . 1 . . . . . 59 ALA C . 53096 1 271 . 1 . 1 59 59 ALA CB C 13 18.99241571 0.1258124229 . 1 . . . . . 59 ALA CB . 53096 1 272 . 1 . 1 59 59 ALA N N 15 122.5778017 0.01028141008 . 1 . . . . . 59 ALA N . 53096 1 273 . 1 . 1 60 60 TYR H H 1 8.045217072 0.00123469798 . 1 . . . . . 60 TYR H . 53096 1 274 . 1 . 1 60 60 TYR C C 13 175.8540681 . . 1 . . . . . 60 TYR C . 53096 1 275 . 1 . 1 60 60 TYR CA C 13 58.20962731 . . 1 . . . . . 60 TYR CA . 53096 1 276 . 1 . 1 60 60 TYR CB C 13 38.77128826 . . 1 . . . . . 60 TYR CB . 53096 1 277 . 1 . 1 60 60 TYR N N 15 119.224042 0.01757423428 . 1 . . . . . 60 TYR N . 53096 1 278 . 1 . 1 61 61 GLU C C 13 176.05337 . . 1 . . . . . 61 GLU C . 53096 1 279 . 1 . 1 61 61 GLU CA C 13 56.51461127 . . 1 . . . . . 61 GLU CA . 53096 1 280 . 1 . 1 61 61 GLU CB C 13 30.44489796 . . 1 . . . . . 61 GLU CB . 53096 1 281 . 1 . 1 62 62 PHE H H 1 8.308360238 0.003176088128 . 1 . . . . . 62 PHE H . 53096 1 282 . 1 . 1 62 62 PHE C C 13 175.6164931 . . 1 . . . . . 62 PHE C . 53096 1 283 . 1 . 1 62 62 PHE CA C 13 58.56378795 0.003464814225 . 1 . . . . . 62 PHE CA . 53096 1 284 . 1 . 1 62 62 PHE CB C 13 39.38201346 0.08228668913 . 1 . . . . . 62 PHE CB . 53096 1 285 . 1 . 1 62 62 PHE N N 15 122.1663978 0.01079424936 . 1 . . . . . 62 PHE N . 53096 1 286 . 1 . 1 63 63 ASN H H 1 8.299550105 0.002452734722 . 1 . . . . . 63 ASN H . 53096 1 287 . 1 . 1 63 63 ASN C C 13 175.1790986 0.02194978199 . 1 . . . . . 63 ASN C . 53096 1 288 . 1 . 1 63 63 ASN CA C 13 53.02828838 0.002781755431 . 1 . . . . . 63 ASN CA . 53096 1 289 . 1 . 1 63 63 ASN CB C 13 38.77073317 0.05311141706 . 1 . . . . . 63 ASN CB . 53096 1 290 . 1 . 1 63 63 ASN N N 15 121.6756957 0.01642716957 . 1 . . . . . 63 ASN N . 53096 1 291 . 1 . 1 64 64 ALA H H 1 8.399259635 0.00282749008 . 1 . . . . . 64 ALA H . 53096 1 292 . 1 . 1 64 64 ALA C C 13 178.5466626 0.007831864739 . 1 . . . . . 64 ALA C . 53096 1 293 . 1 . 1 64 64 ALA CA C 13 53.75950243 0.0201341889 . 1 . . . . . 64 ALA CA . 53096 1 294 . 1 . 1 64 64 ALA CB C 13 18.65291147 0.04571191548 . 1 . . . . . 64 ALA CB . 53096 1 295 . 1 . 1 64 64 ALA N N 15 125.6482671 0.007197266905 . 1 . . . . . 64 ALA N . 53096 1 296 . 1 . 1 65 65 ALA H H 1 8.189614405 0.001243500218 . 1 . . . . . 65 ALA H . 53096 1 297 . 1 . 1 65 65 ALA C C 13 178.4554303 0.009731488617 . 1 . . . . . 65 ALA C . 53096 1 298 . 1 . 1 65 65 ALA CA C 13 53.33451422 0.02014715871 . 1 . . . . . 65 ALA CA . 53096 1 299 . 1 . 1 65 65 ALA CB C 13 18.51979023 . . 1 . . . . . 65 ALA CB . 53096 1 300 . 1 . 1 65 65 ALA N N 15 121.9055856 0.00439151832 . 1 . . . . . 65 ALA N . 53096 1 301 . 1 . 1 66 66 ALA H H 1 7.955663293 0.00104458256 . 1 . . . . . 66 ALA H . 53096 1 302 . 1 . 1 66 66 ALA C C 13 178.6430996 0.0001685280408 . 1 . . . . . 66 ALA C . 53096 1 303 . 1 . 1 66 66 ALA CA C 13 53.17588603 0.0133163915 . 1 . . . . . 66 ALA CA . 53096 1 304 . 1 . 1 66 66 ALA CB C 13 18.73452887 0.05437787368 . 1 . . . . . 66 ALA CB . 53096 1 305 . 1 . 1 66 66 ALA N N 15 122.1738945 0.005591075728 . 1 . . . . . 66 ALA N . 53096 1 306 . 1 . 1 67 67 ALA H H 1 8.111195987 0.002075514471 . 1 . . . . . 67 ALA H . 53096 1 307 . 1 . 1 67 67 ALA C C 13 178.4707334 0.0007927322746 . 1 . . . . . 67 ALA C . 53096 1 308 . 1 . 1 67 67 ALA CA C 13 53.20912 . . 1 . . . . . 67 ALA CA . 53096 1 309 . 1 . 1 67 67 ALA CB C 13 18.77719335 0.02415224544 . 1 . . . . . 67 ALA CB . 53096 1 310 . 1 . 1 67 67 ALA N N 15 122.3755228 0.006915584282 . 1 . . . . . 67 ALA N . 53096 1 311 . 1 . 1 68 68 ALA H H 1 8.15086183 0.002341642075 . 1 . . . . . 68 ALA H . 53096 1 312 . 1 . 1 68 68 ALA C C 13 178.3292442 0.0056509458 . 1 . . . . . 68 ALA C . 53096 1 313 . 1 . 1 68 68 ALA CA C 13 53.40364322 0.09254487976 . 1 . . . . . 68 ALA CA . 53096 1 314 . 1 . 1 68 68 ALA CB C 13 18.7596746 . . 1 . . . . . 68 ALA CB . 53096 1 315 . 1 . 1 68 68 ALA N N 15 122.1839331 0.01164542021 . 1 . . . . . 68 ALA N . 53096 1 316 . 1 . 1 69 69 ASN H H 1 8.233174584 0.001179619254 . 1 . . . . . 69 ASN H . 53096 1 317 . 1 . 1 69 69 ASN C C 13 175.2948957 0.009647491374 . 1 . . . . . 69 ASN C . 53096 1 318 . 1 . 1 69 69 ASN CA C 13 53.49028956 0.006313888879 . 1 . . . . . 69 ASN CA . 53096 1 319 . 1 . 1 69 69 ASN CB C 13 38.70590182 0.02044424976 . 1 . . . . . 69 ASN CB . 53096 1 320 . 1 . 1 69 69 ASN N N 15 116.9734476 0.009935358889 . 1 . . . . . 69 ASN N . 53096 1 321 . 1 . 1 70 70 ALA H H 1 8.117930308 0.001915033516 . 1 . . . . . 70 ALA H . 53096 1 322 . 1 . 1 70 70 ALA C C 13 177.9318478 0.005907350323 . 1 . . . . . 70 ALA C . 53096 1 323 . 1 . 1 70 70 ALA CA C 13 52.99618316 0.01605047395 . 1 . . . . . 70 ALA CA . 53096 1 324 . 1 . 1 70 70 ALA CB C 13 19.03957286 0.004701538828 . 1 . . . . . 70 ALA CB . 53096 1 325 . 1 . 1 70 70 ALA N N 15 123.5018027 0.009972629189 . 1 . . . . . 70 ALA N . 53096 1 326 . 1 . 1 71 71 GLN H H 1 8.248498091 0.0006129830808 . 1 . . . . . 71 GLN H . 53096 1 327 . 1 . 1 71 71 GLN C C 13 175.9903982 0.00154107868 . 1 . . . . . 71 GLN C . 53096 1 328 . 1 . 1 71 71 GLN CA C 13 56.13160217 0.001185799389 . 1 . . . . . 71 GLN CA . 53096 1 329 . 1 . 1 71 71 GLN CB C 13 29.20095377 0.0371011437 . 1 . . . . . 71 GLN CB . 53096 1 330 . 1 . 1 71 71 GLN N N 15 119.0568609 0.0135518625 . 1 . . . . . 71 GLN N . 53096 1 331 . 1 . 1 72 72 VAL H H 1 8.053924032 0.001580112599 . 1 . . . . . 72 VAL H . 53096 1 332 . 1 . 1 72 72 VAL C C 13 176.0692007 . . 1 . . . . . 72 VAL C . 53096 1 333 . 1 . 1 72 72 VAL CA C 13 62.49801077 0.01639496769 . 1 . . . . . 72 VAL CA . 53096 1 334 . 1 . 1 72 72 VAL CB C 13 32.88068516 0.1020485943 . 1 . . . . . 72 VAL CB . 53096 1 335 . 1 . 1 72 72 VAL N N 15 120.822341 0.01652189843 . 1 . . . . . 72 VAL N . 53096 1 336 . 1 . 1 73 73 TYR H H 1 8.413429142 0.002337269988 . 1 . . . . . 73 TYR H . 53096 1 337 . 1 . 1 73 73 TYR C C 13 176.6087492 0.001689112025 . 1 . . . . . 73 TYR C . 53096 1 338 . 1 . 1 73 73 TYR CA C 13 58.2634154 0.01941178868 . 1 . . . . . 73 TYR CA . 53096 1 339 . 1 . 1 73 73 TYR CB C 13 38.85359297 0.01995263171 . 1 . . . . . 73 TYR CB . 53096 1 340 . 1 . 1 73 73 TYR N N 15 123.5775805 0.006613753593 . 1 . . . . . 73 TYR N . 53096 1 341 . 1 . 1 74 74 GLY H H 1 8.388162277 0.001222952176 . 1 . . . . . 74 GLY H . 53096 1 342 . 1 . 1 74 74 GLY C C 13 174.219984 0.005961397937 . 1 . . . . . 74 GLY C . 53096 1 343 . 1 . 1 74 74 GLY CA C 13 45.2890766 0.02087512955 . 1 . . . . . 74 GLY CA . 53096 1 344 . 1 . 1 74 74 GLY N N 15 110.6414597 0.01081302116 . 1 . . . . . 74 GLY N . 53096 1 345 . 1 . 1 75 75 GLN H H 1 8.344701338 0.002729413275 . 1 . . . . . 75 GLN H . 53096 1 346 . 1 . 1 75 75 GLN C C 13 176.4829963 0.007528909321 . 1 . . . . . 75 GLN C . 53096 1 347 . 1 . 1 75 75 GLN CA C 13 56.07421007 0.01907509311 . 1 . . . . . 75 GLN CA . 53096 1 348 . 1 . 1 75 75 GLN CB C 13 29.58375476 0.04811237511 . 1 . . . . . 75 GLN CB . 53096 1 349 . 1 . 1 75 75 GLN N N 15 119.72774 0.01619513096 . 1 . . . . . 75 GLN N . 53096 1 350 . 1 . 1 76 76 THR H H 1 8.344915289 0.002586034094 . 1 . . . . . 76 THR H . 53096 1 351 . 1 . 1 76 76 THR C C 13 175.1121263 0.009584224566 . 1 . . . . . 76 THR C . 53096 1 352 . 1 . 1 76 76 THR CA C 13 62.04970732 0.1081183828 . 1 . . . . . 76 THR CA . 53096 1 353 . 1 . 1 76 76 THR CB C 13 69.87558912 0.01502604335 . 1 . . . . . 76 THR CB . 53096 1 354 . 1 . 1 76 76 THR N N 15 114.1084976 0.01839379109 . 1 . . . . . 76 THR N . 53096 1 355 . 1 . 1 77 77 GLY H H 1 8.467721458 0.002642516677 . 1 . . . . . 77 GLY H . 53096 1 356 . 1 . 1 77 77 GLY C C 13 173.6286638 0.0006725858687 . 1 . . . . . 77 GLY C . 53096 1 357 . 1 . 1 77 77 GLY CA C 13 45.16889168 0.01030580409 . 1 . . . . . 77 GLY CA . 53096 1 358 . 1 . 1 77 77 GLY N N 15 110.9564787 0.01089173413 . 1 . . . . . 77 GLY N . 53096 1 359 . 1 . 1 78 78 LEU H H 1 8.173563189 0.001745697755 . 1 . . . . . 78 LEU H . 53096 1 360 . 1 . 1 78 78 LEU C C 13 175.4615894 . . 1 . . . . . 78 LEU C . 53096 1 361 . 1 . 1 78 78 LEU CA C 13 52.83120564 . . 1 . . . . . 78 LEU CA . 53096 1 362 . 1 . 1 78 78 LEU CB C 13 41.637393 0 . 1 . . . . . 78 LEU CB . 53096 1 363 . 1 . 1 78 78 LEU N N 15 122.5946321 0.002024159752 . 1 . . . . . 78 LEU N . 53096 1 364 . 1 . 1 79 79 PRO C C 13 176.3049497 . . 1 . . . . . 79 PRO C . 53096 1 365 . 1 . 1 79 79 PRO CA C 13 63.15070875 . . 1 . . . . . 79 PRO CA . 53096 1 366 . 1 . 1 79 79 PRO CB C 13 31.65950366 0.07739885998 . 1 . . . . . 79 PRO CB . 53096 1 367 . 1 . 1 80 80 TYR H H 1 8.151722946 0.002607751383 . 1 . . . . . 80 TYR H . 53096 1 368 . 1 . 1 80 80 TYR C C 13 175.8344015 0.002323056675 . 1 . . . . . 80 TYR C . 53096 1 369 . 1 . 1 80 80 TYR CA C 13 57.44310541 0.02437828015 . 1 . . . . . 80 TYR CA . 53096 1 370 . 1 . 1 80 80 TYR CB C 13 38.97731548 0.01292809855 . 1 . . . . . 80 TYR CB . 53096 1 371 . 1 . 1 80 80 TYR N N 15 119.5877424 0.0154592261 . 1 . . . . . 80 TYR N . 53096 1 372 . 1 . 1 81 81 GLY H H 1 8.2049762 0.001300221885 . 1 . . . . . 81 GLY H . 53096 1 373 . 1 . 1 81 81 GLY C C 13 171.628 . . 1 . . . . . 81 GLY C . 53096 1 374 . 1 . 1 81 81 GLY CA C 13 44.54962464 . . 1 . . . . . 81 GLY CA . 53096 1 375 . 1 . 1 81 81 GLY N N 15 110.4854787 0.01898163408 . 1 . . . . . 81 GLY N . 53096 1 376 . 1 . 1 82 82 PRO C C 13 177.8814731 . . 1 . . . . . 82 PRO C . 53096 1 377 . 1 . 1 82 82 PRO CA C 13 63.71150469 . . 1 . . . . . 82 PRO CA . 53096 1 378 . 1 . 1 82 82 PRO CB C 13 31.94282384 0 . 1 . . . . . 82 PRO CB . 53096 1 379 . 1 . 1 83 83 GLY H H 1 8.820559925 0.0013467388 . 1 . . . . . 83 GLY H . 53096 1 380 . 1 . 1 83 83 GLY C C 13 174.6715651 0.003084269436 . 1 . . . . . 83 GLY C . 53096 1 381 . 1 . 1 83 83 GLY CA C 13 45.32229169 0.002705213148 . 1 . . . . . 83 GLY CA . 53096 1 382 . 1 . 1 83 83 GLY N N 15 110.9043305 0.007422337475 . 1 . . . . . 83 GLY N . 53096 1 383 . 1 . 1 84 84 SER H H 1 8.217116423 0.003143826211 . 1 . . . . . 84 SER H . 53096 1 384 . 1 . 1 84 84 SER C C 13 174.8901705 0.007083843777 . 1 . . . . . 84 SER C . 53096 1 385 . 1 . 1 84 84 SER CA C 13 58.90309419 0.04094026161 . 1 . . . . . 84 SER CA . 53096 1 386 . 1 . 1 84 84 SER CB C 13 63.92558821 0.0006699509468 . 1 . . . . . 84 SER CB . 53096 1 387 . 1 . 1 84 84 SER N N 15 115.8944888 0.01504456724 . 1 . . . . . 84 SER N . 53096 1 388 . 1 . 1 85 85 GLU H H 1 8.769209256 0.002934469768 . 1 . . . . . 85 GLU H . 53096 1 389 . 1 . 1 85 85 GLU C C 13 176.6968022 0.006015959914 . 1 . . . . . 85 GLU C . 53096 1 390 . 1 . 1 85 85 GLU CA C 13 57.26987843 0.04044523361 . 1 . . . . . 85 GLU CA . 53096 1 391 . 1 . 1 85 85 GLU CB C 13 29.72730184 0.02913566586 . 1 . . . . . 85 GLU CB . 53096 1 392 . 1 . 1 85 85 GLU N N 15 122.9856882 0.01270032346 . 1 . . . . . 85 GLU N . 53096 1 393 . 1 . 1 86 86 ALA H H 1 8.294965662 0.001184049519 . 1 . . . . . 86 ALA H . 53096 1 394 . 1 . 1 86 86 ALA C C 13 177.9877067 0.00426475605 . 1 . . . . . 86 ALA C . 53096 1 395 . 1 . 1 86 86 ALA CA C 13 52.73023969 0.08947648589 . 1 . . . . . 86 ALA CA . 53096 1 396 . 1 . 1 86 86 ALA CB C 13 18.98782424 0.002363357679 . 1 . . . . . 86 ALA CB . 53096 1 397 . 1 . 1 86 86 ALA N N 15 124.1906742 0.01349216616 . 1 . . . . . 86 ALA N . 53096 1 398 . 1 . 1 87 87 ALA H H 1 8.15616295 0.008942597024 . 1 . . . . . 87 ALA H . 53096 1 399 . 1 . 1 87 87 ALA C C 13 177.7304959 . . 1 . . . . . 87 ALA C . 53096 1 400 . 1 . 1 87 87 ALA N N 15 122.6268806 0.0174174163 . 1 . . . . . 87 ALA N . 53096 1 401 . 1 . 1 89 89 PHE C C 13 176.3966961 . . 1 . . . . . 89 PHE C . 53096 1 402 . 1 . 1 89 89 PHE CA C 13 58.05448045 . . 1 . . . . . 89 PHE CA . 53096 1 403 . 1 . 1 89 89 PHE CB C 13 39.61412279 . . 1 . . . . . 89 PHE CB . 53096 1 404 . 1 . 1 90 90 GLY H H 1 8.340328743 0.001227510708 . 1 . . . . . 90 GLY H . 53096 1 405 . 1 . 1 90 90 GLY C C 13 173.764559 0.002930663364 . 1 . . . . . 90 GLY C . 53096 1 406 . 1 . 1 90 90 GLY CA C 13 45.18694843 0.002038566297 . 1 . . . . . 90 GLY CA . 53096 1 407 . 1 . 1 90 90 GLY N N 15 110.9392612 0.01049398336 . 1 . . . . . 90 GLY N . 53096 1 408 . 1 . 1 91 91 SER H H 1 8.220690286 0.001046523837 . 1 . . . . . 91 SER H . 53096 1 409 . 1 . 1 91 91 SER C C 13 173.4244731 0 . 1 . . . . . 91 SER C . 53096 1 410 . 1 . 1 91 91 SER CA C 13 58.24535194 . . 1 . . . . . 91 SER CA . 53096 1 411 . 1 . 1 91 91 SER CB C 13 64.17476818 . . 1 . . . . . 91 SER CB . 53096 1 412 . 1 . 1 91 91 SER N N 15 115.6722138 0.009303417669 . 1 . . . . . 91 SER N . 53096 1 413 . 1 . 1 93 93 GLY H H 1 8.395823278 0.001252015579 . 1 . . . . . 93 GLY H . 53096 1 414 . 1 . 1 93 93 GLY C C 13 174.7140085 0.003675281657 . 1 . . . . . 93 GLY C . 53096 1 415 . 1 . 1 93 93 GLY CA C 13 45.50545423 0.01240657543 . 1 . . . . . 93 GLY CA . 53096 1 416 . 1 . 1 93 93 GLY N N 15 114.430916 0.004729291416 . 1 . . . . . 93 GLY N . 53096 1 417 . 1 . 1 94 94 LEU H H 1 8.459220443 0.001671566333 . 1 . . . . . 94 LEU H . 53096 1 418 . 1 . 1 94 94 LEU C C 13 178.2626428 0.06104563191 . 1 . . . . . 94 LEU C . 53096 1 419 . 1 . 1 94 94 LEU CA C 13 55.25081187 0.02172311641 . 1 . . . . . 94 LEU CA . 53096 1 420 . 1 . 1 94 94 LEU CB C 13 42.20201872 0.009080585107 . 1 . . . . . 94 LEU CB . 53096 1 421 . 1 . 1 94 94 LEU N N 15 121.6236664 0.01796294944 . 1 . . . . . 94 LEU N . 53096 1 422 . 1 . 1 95 95 GLY H H 1 8.558714912 0.003313609669 . 1 . . . . . 95 GLY H . 53096 1 423 . 1 . 1 95 95 GLY C C 13 174.4072307 0.007686444368 . 1 . . . . . 95 GLY C . 53096 1 424 . 1 . 1 95 95 GLY CA C 13 45.35482621 0.004021052375 . 1 . . . . . 95 GLY CA . 53096 1 425 . 1 . 1 95 95 GLY N N 15 109.6118947 0.01503391327 . 1 . . . . . 95 GLY N . 53096 1 426 . 1 . 1 96 96 GLY H H 1 8.197203123 0.002278256491 . 1 . . . . . 96 GLY H . 53096 1 427 . 1 . 1 96 96 GLY C C 13 173.3989745 0.009179615403 . 1 . . . . . 96 GLY C . 53096 1 428 . 1 . 1 96 96 GLY CA C 13 44.79262405 0.0409284629 . 1 . . . . . 96 GLY CA . 53096 1 429 . 1 . 1 96 96 GLY N N 15 108.1348904 0.00651890509 . 1 . . . . . 96 GLY N . 53096 1 430 . 1 . 1 97 97 PHE H H 1 8.145300189 0.001297512011 . 1 . . . . . 97 PHE H . 53096 1 431 . 1 . 1 97 97 PHE CA C 13 55.81198607 . . 1 . . . . . 97 PHE CA . 53096 1 432 . 1 . 1 97 97 PHE CB C 13 38.869 0.000000337 . 1 . . . . . 97 PHE CB . 53096 1 433 . 1 . 1 97 97 PHE N N 15 120.5545092 0.02141399134 . 1 . . . . . 97 PHE N . 53096 1 434 . 1 . 1 99 99 PRO C C 13 177.0776454 . . 1 . . . . . 99 PRO C . 53096 1 435 . 1 . 1 99 99 PRO CA C 13 62.77176173 . . 1 . . . . . 99 PRO CA . 53096 1 436 . 1 . 1 99 99 PRO CB C 13 32.04080665 . . 1 . . . . . 99 PRO CB . 53096 1 437 . 1 . 1 100 100 LEU H H 1 8.528250197 0.001407048767 . 1 . . . . . 100 LEU H . 53096 1 438 . 1 . 1 100 100 LEU C C 13 177.4018431 0.001980013462 . 1 . . . . . 100 LEU C . 53096 1 439 . 1 . 1 100 100 LEU CA C 13 55.44440215 0.007519502219 . 1 . . . . . 100 LEU CA . 53096 1 440 . 1 . 1 100 100 LEU CB C 13 42.36309408 0.01791826868 . 1 . . . . . 100 LEU CB . 53096 1 441 . 1 . 1 100 100 LEU N N 15 122.7223435 0.004811522551 . 1 . . . . . 100 LEU N . 53096 1 442 . 1 . 1 101 101 ASN H H 1 8.591231503 0.002782737864 . 1 . . . . . 101 ASN H . 53096 1 443 . 1 . 1 101 101 ASN C C 13 175.0694668 0.0001006205497 . 1 . . . . . 101 ASN C . 53096 1 444 . 1 . 1 101 101 ASN CA C 13 53.23689205 0.06600475684 . 1 . . . . . 101 ASN CA . 53096 1 445 . 1 . 1 101 101 ASN CB C 13 38.80348813 0.03233082297 . 1 . . . . . 101 ASN CB . 53096 1 446 . 1 . 1 101 101 ASN N N 15 119.2168782 0.009381422366 . 1 . . . . . 101 ASN N . 53096 1 447 . 1 . 1 102 102 SER H H 1 8.331746148 0.003916295175 . 1 . . . . . 102 SER H . 53096 1 448 . 1 . 1 102 102 SER C C 13 174.3189075 0.01863076763 . 1 . . . . . 102 SER C . 53096 1 449 . 1 . 1 102 102 SER CA C 13 58.40066082 0.002452244116 . 1 . . . . . 102 SER CA . 53096 1 450 . 1 . 1 102 102 SER CB C 13 63.72269085 0.06325808534 . 1 . . . . . 102 SER CB . 53096 1 451 . 1 . 1 102 102 SER N N 15 116.1110245 0.009136671201 . 1 . . . . . 102 SER N . 53096 1 452 . 1 . 1 103 103 VAL H H 1 8.252860601 0.002410509093 . 1 . . . . . 103 VAL H . 53096 1 453 . 1 . 1 103 103 VAL C C 13 176.1151398 0.005849598201 . 1 . . . . . 103 VAL C . 53096 1 454 . 1 . 1 103 103 VAL CA C 13 62.04451958 0.03570239059 . 1 . . . . . 103 VAL CA . 53096 1 455 . 1 . 1 103 103 VAL CB C 13 32.88127832 0.05804828204 . 1 . . . . . 103 VAL CB . 53096 1 456 . 1 . 1 103 103 VAL N N 15 121.705281 0.01557103609 . 1 . . . . . 103 VAL N . 53096 1 457 . 1 . 1 104 104 SER H H 1 8.549009904 0.001148383509 . 1 . . . . . 104 SER H . 53096 1 458 . 1 . 1 104 104 SER C C 13 172.4262559 . . 1 . . . . . 104 SER C . 53096 1 459 . 1 . 1 104 104 SER CA C 13 56.43995696 . . 1 . . . . . 104 SER CA . 53096 1 460 . 1 . 1 104 104 SER CB C 13 63.26840236 . . 1 . . . . . 104 SER CB . 53096 1 461 . 1 . 1 104 104 SER N N 15 121.6274254 0.01208844084 . 1 . . . . . 104 SER N . 53096 1 462 . 1 . 1 105 105 PRO CA C 13 63.0329983 0.02466006158 . 1 . . . . . 105 PRO CA . 53096 1 463 . 1 . 1 105 105 PRO CB C 13 32.20035062 0 . 1 . . . . . 105 PRO CB . 53096 1 464 . 1 . 1 106 106 SER H H 1 8.499273258 0.003445661141 . 1 . . . . . 106 SER H . 53096 1 465 . 1 . 1 106 106 SER C C 13 174.0955042 0 . 1 . . . . . 106 SER C . 53096 1 466 . 1 . 1 106 106 SER CA C 13 56.40959325 . . 1 . . . . . 106 SER CA . 53096 1 467 . 1 . 1 106 106 SER N N 15 118.0186786 0.01907710594 . 1 . . . . . 106 SER N . 53096 1 468 . 1 . 1 107 107 PRO C C 13 177.081594 . . 1 . . . . . 107 PRO C . 53096 1 469 . 1 . 1 107 107 PRO CA C 13 63.62027648 0.008866097959 . 1 . . . . . 107 PRO CA . 53096 1 470 . 1 . 1 107 107 PRO CB C 13 32.03337985 . . 1 . . . . . 107 PRO CB . 53096 1 471 . 1 . 1 108 108 LEU H H 1 8.260250001 0.001179049252 . 1 . . . . . 108 LEU H . 53096 1 472 . 1 . 1 108 108 LEU C C 13 177.5244681 0.006665158227 . 1 . . . . . 108 LEU C . 53096 1 473 . 1 . 1 108 108 LEU CA C 13 55.62141979 0.07540579748 . 1 . . . . . 108 LEU CA . 53096 1 474 . 1 . 1 108 108 LEU CB C 13 42.20220908 0.09930779965 . 1 . . . . . 108 LEU CB . 53096 1 475 . 1 . 1 108 108 LEU N N 15 121.0674734 0.014239346 . 1 . . . . . 108 LEU N . 53096 1 476 . 1 . 1 109 109 MET H H 1 8.242170478 0.001937212716 . 1 . . . . . 109 MET H . 53096 1 477 . 1 . 1 109 109 MET C C 13 175.9290845 0.00464625938 . 1 . . . . . 109 MET C . 53096 1 478 . 1 . 1 109 109 MET CA C 13 55.32752956 0.03501340142 . 1 . . . . . 109 MET CA . 53096 1 479 . 1 . 1 109 109 MET CB C 13 32.62463362 0.01615886842 . 1 . . . . . 109 MET CB . 53096 1 480 . 1 . 1 109 109 MET N N 15 120.8906955 0.004337177006 . 1 . . . . . 109 MET N . 53096 1 481 . 1 . 1 110 110 LEU H H 1 8.160430248 0.001388214677 . 1 . . . . . 110 LEU H . 53096 1 482 . 1 . 1 110 110 LEU C C 13 176.9043349 0.00892967669 . 1 . . . . . 110 LEU C . 53096 1 483 . 1 . 1 110 110 LEU CB C 13 42.36249772 0.04108230947 . 1 . . . . . 110 LEU CB . 53096 1 484 . 1 . 1 110 110 LEU N N 15 123.1307275 0.01168898189 . 1 . . . . . 110 LEU N . 53096 1 485 . 1 . 1 111 111 LEU H H 1 8.14937669 0.004082368321 . 1 . . . . . 111 LEU H . 53096 1 486 . 1 . 1 111 111 LEU C C 13 176.5656404 0.01017082065 . 1 . . . . . 111 LEU C . 53096 1 487 . 1 . 1 111 111 LEU N N 15 122.4857521 0.005857276354 . 1 . . . . . 111 LEU N . 53096 1 488 . 1 . 1 112 112 HIS H H 1 8.216173053 0.002317923727 . 1 . . . . . 112 HIS H . 53096 1 489 . 1 . 1 112 112 HIS C C 13 172.7555839 . . 1 . . . . . 112 HIS C . 53096 1 490 . 1 . 1 112 112 HIS CA C 13 53.83501481 . . 1 . . . . . 112 HIS CA . 53096 1 491 . 1 . 1 112 112 HIS CB C 13 30.26567374 . . 1 . . . . . 112 HIS CB . 53096 1 492 . 1 . 1 112 112 HIS N N 15 120.6192878 0.005063304924 . 1 . . . . . 112 HIS N . 53096 1 493 . 1 . 1 115 115 PRO C C 13 176.7914652 . . 1 . . . . . 115 PRO C . 53096 1 494 . 1 . 1 115 115 PRO CA C 13 62.96029865 . . 1 . . . . . 115 PRO CA . 53096 1 495 . 1 . 1 115 115 PRO CB C 13 32.11744461 . . 1 . . . . . 115 PRO CB . 53096 1 496 . 1 . 1 116 116 GLN H H 1 8.599065439 0.001928575778 . 1 . . . . . 116 GLN H . 53096 1 497 . 1 . 1 116 116 GLN C C 13 175.8759803 0.000094 . 1 . . . . . 116 GLN C . 53096 1 498 . 1 . 1 116 116 GLN CA C 13 55.56864756 0.004348026756 . 1 . . . . . 116 GLN CA . 53096 1 499 . 1 . 1 116 116 GLN CB C 13 29.51672101 0.02612020413 . 1 . . . . . 116 GLN CB . 53096 1 500 . 1 . 1 116 116 GLN N N 15 120.7030099 0.01223096193 . 1 . . . . . 116 GLN N . 53096 1 501 . 1 . 1 117 117 LEU H H 1 8.472190105 0.0009324345264 . 1 . . . . . 117 LEU H . 53096 1 502 . 1 . 1 117 117 LEU C C 13 177.1066879 0.000092 . 1 . . . . . 117 LEU C . 53096 1 503 . 1 . 1 117 117 LEU CA C 13 54.81587098 0.01560295513 . 1 . . . . . 117 LEU CA . 53096 1 504 . 1 . 1 117 117 LEU CB C 13 42.52526743 0.04914973624 . 1 . . . . . 117 LEU CB . 53096 1 505 . 1 . 1 117 117 LEU N N 15 124.2139369 0.01948478259 . 1 . . . . . 117 LEU N . 53096 1 506 . 1 . 1 118 118 SER H H 1 8.44242484 0.002916631276 . 1 . . . . . 118 SER H . 53096 1 507 . 1 . 1 118 118 SER C C 13 173.2259441 . . 1 . . . . . 118 SER C . 53096 1 508 . 1 . 1 118 118 SER CA C 13 56.25505126 . . 1 . . . . . 118 SER CA . 53096 1 509 . 1 . 1 118 118 SER CB C 13 63.52228215 . . 1 . . . . . 118 SER CB . 53096 1 510 . 1 . 1 118 118 SER N N 15 118.068718 0.01154459729 . 1 . . . . . 118 SER N . 53096 1 511 . 1 . 1 119 119 PRO C C 13 176.5194939 . . 1 . . . . . 119 PRO C . 53096 1 512 . 1 . 1 119 119 PRO CA C 13 63.51300211 . . 1 . . . . . 119 PRO CA . 53096 1 513 . 1 . 1 119 119 PRO CB C 13 31.88033174 . . 1 . . . . . 119 PRO CB . 53096 1 514 . 1 . 1 120 120 PHE H H 1 8.115613401 0.001982117234 . 1 . . . . . 120 PHE H . 53096 1 515 . 1 . 1 120 120 PHE C C 13 175.4583383 . . 1 . . . . . 120 PHE C . 53096 1 516 . 1 . 1 120 120 PHE CA C 13 57.56722782 0.03018539156 . 1 . . . . . 120 PHE CA . 53096 1 517 . 1 . 1 120 120 PHE CB C 13 39.29306783 0.05836326591 . 1 . . . . . 120 PHE CB . 53096 1 518 . 1 . 1 120 120 PHE N N 15 119.2755068 0.004592057006 . 1 . . . . . 120 PHE N . 53096 1 519 . 1 . 1 121 121 LEU H H 1 8.041996101 0.002027823649 . 1 . . . . . 121 LEU H . 53096 1 520 . 1 . 1 121 121 LEU C C 13 176.4259127 0.01208824086 . 1 . . . . . 121 LEU C . 53096 1 521 . 1 . 1 121 121 LEU CA C 13 54.60921214 0.02640754562 . 1 . . . . . 121 LEU CA . 53096 1 522 . 1 . 1 121 121 LEU CB C 13 42.53035167 0.001475737975 . 1 . . . . . 121 LEU CB . 53096 1 523 . 1 . 1 121 121 LEU N N 15 123.8828482 0.02011149018 . 1 . . . . . 121 LEU N . 53096 1 524 . 1 . 1 122 122 GLN H H 1 8.336185401 0.002441638601 . 1 . . . . . 122 GLN H . 53096 1 525 . 1 . 1 122 122 GLN C C 13 174.0410988 . . 1 . . . . . 122 GLN C . 53096 1 526 . 1 . 1 122 122 GLN N N 15 122.5299756 0.01748266164 . 1 . . . . . 122 GLN N . 53096 1 527 . 1 . 1 124 124 HIS C C 13 176.2495111 . . 1 . . . . . 124 HIS C . 53096 1 528 . 1 . 1 124 124 HIS CA C 13 56.57497953 . . 1 . . . . . 124 HIS CA . 53096 1 529 . 1 . 1 125 125 GLY H H 1 8.445260134 0.002441838925 . 1 . . . . . 125 GLY H . 53096 1 530 . 1 . 1 125 125 GLY C C 13 174.0533428 0.01484052412 . 1 . . . . . 125 GLY C . 53096 1 531 . 1 . 1 125 125 GLY CA C 13 45.3549364 0.002776915304 . 1 . . . . . 125 GLY CA . 53096 1 532 . 1 . 1 125 125 GLY N N 15 110.3732417 0.00901454724 . 1 . . . . . 125 GLY N . 53096 1 533 . 1 . 1 126 126 GLN H H 1 8.404178537 0.001256879344 . 1 . . . . . 126 GLN H . 53096 1 534 . 1 . 1 126 126 GLN C C 13 175.880133 0.01023921489 . 1 . . . . . 126 GLN C . 53096 1 535 . 1 . 1 126 126 GLN CA C 13 55.70327443 0.02115039342 . 1 . . . . . 126 GLN CA . 53096 1 536 . 1 . 1 126 126 GLN CB C 13 29.60398465 0.0003913415659 . 1 . . . . . 126 GLN CB . 53096 1 537 . 1 . 1 126 126 GLN N N 15 119.953639 0.009388030132 . 1 . . . . . 126 GLN N . 53096 1 538 . 1 . 1 127 127 GLN H H 1 8.596582413 0.001595550238 . 1 . . . . . 127 GLN H . 53096 1 539 . 1 . 1 127 127 GLN C C 13 175.7891614 0.003309897873 . 1 . . . . . 127 GLN C . 53096 1 540 . 1 . 1 127 127 GLN CA C 13 55.78931934 0.03059765817 . 1 . . . . . 127 GLN CA . 53096 1 541 . 1 . 1 127 127 GLN CB C 13 29.390425 0.0414229198 . 1 . . . . . 127 GLN CB . 53096 1 542 . 1 . 1 127 127 GLN N N 15 122.1047837 0.004440582896 . 1 . . . . . 127 GLN N . 53096 1 543 . 1 . 1 128 128 VAL H H 1 8.350554284 0.001664738479 . 1 . . . . . 128 VAL H . 53096 1 544 . 1 . 1 128 128 VAL C C 13 174.3457118 . . 1 . . . . . 128 VAL C . 53096 1 545 . 1 . 1 128 128 VAL CA C 13 59.90984962 . . 1 . . . . . 128 VAL CA . 53096 1 546 . 1 . 1 128 128 VAL CB C 13 32.6311742 . . 1 . . . . . 128 VAL CB . 53096 1 547 . 1 . 1 128 128 VAL N N 15 123.1691063 0.008199023685 . 1 . . . . . 128 VAL N . 53096 1 548 . 1 . 1 129 129 PRO C C 13 176.1943647 . . 1 . . . . . 129 PRO C . 53096 1 549 . 1 . 1 129 129 PRO CA C 13 63.1043894 . . 1 . . . . . 129 PRO CA . 53096 1 550 . 1 . 1 129 129 PRO CB C 13 31.90696859 0.02967564474 . 1 . . . . . 129 PRO CB . 53096 1 551 . 1 . 1 130 130 TYR H H 1 8.187408834 0.001052753948 . 1 . . . . . 130 TYR H . 53096 1 552 . 1 . 1 130 130 TYR CA C 13 57.98652456 . . 1 . . . . . 130 TYR CA . 53096 1 553 . 1 . 1 130 130 TYR CB C 13 38.88431461 0 . 1 . . . . . 130 TYR CB . 53096 1 554 . 1 . 1 130 130 TYR N N 15 120.4660157 0.003052357078 . 1 . . . . . 130 TYR N . 53096 1 555 . 1 . 1 131 131 TYR C C 13 174.9385565 . . 1 . . . . . 131 TYR C . 53096 1 556 . 1 . 1 131 131 TYR CA C 13 57.48017754 . . 1 . . . . . 131 TYR CA . 53096 1 557 . 1 . 1 131 131 TYR CB C 13 38.97353861 0 . 1 . . . . . 131 TYR CB . 53096 1 558 . 1 . 1 132 132 LEU H H 1 8.061641089 0.001665181655 . 1 . . . . . 132 LEU H . 53096 1 559 . 1 . 1 132 132 LEU C C 13 176.8342238 0.002120620026 . 1 . . . . . 132 LEU C . 53096 1 560 . 1 . 1 132 132 LEU CA C 13 54.78581 0.004320912104 . 1 . . . . . 132 LEU CA . 53096 1 561 . 1 . 1 132 132 LEU CB C 13 42.55425384 0.03682589439 . 1 . . . . . 132 LEU CB . 53096 1 562 . 1 . 1 132 132 LEU N N 15 124.3424069 0.01025786015 . 1 . . . . . 132 LEU N . 53096 1 563 . 1 . 1 133 133 GLU H H 1 8.390711914 0.002183693444 . 1 . . . . . 133 GLU H . 53096 1 564 . 1 . 1 133 133 GLU C C 13 176.1123144 0.002857706055 . 1 . . . . . 133 GLU C . 53096 1 565 . 1 . 1 133 133 GLU CA C 13 56.86382339 0.01406207122 . 1 . . . . . 133 GLU CA . 53096 1 566 . 1 . 1 133 133 GLU CB C 13 30.13412986 0.01174949812 . 1 . . . . . 133 GLU CB . 53096 1 567 . 1 . 1 133 133 GLU N N 15 121.6788113 0.009771933418 . 1 . . . . . 133 GLU N . 53096 1 568 . 1 . 1 134 134 ASN H H 1 8.465784646 0.00262384087 . 1 . . . . . 134 ASN H . 53096 1 569 . 1 . 1 134 134 ASN C C 13 174.7179225 0.01349664031 . 1 . . . . . 134 ASN C . 53096 1 570 . 1 . 1 134 134 ASN CA C 13 53.24285915 0.08658100326 . 1 . . . . . 134 ASN CA . 53096 1 571 . 1 . 1 134 134 ASN CB C 13 38.97855365 0.02920372612 . 1 . . . . . 134 ASN CB . 53096 1 572 . 1 . 1 134 134 ASN N N 15 118.6617166 0.00556094453 . 1 . . . . . 134 ASN N . 53096 1 573 . 1 . 1 135 135 GLU H H 1 8.31672479 0.002531049999 . 1 . . . . . 135 GLU H . 53096 1 574 . 1 . 1 135 135 GLU C C 13 174.6159834 0 . 1 . . . . . 135 GLU C . 53096 1 575 . 1 . 1 135 135 GLU CA C 13 54.48249354 0.00868566707 . 1 . . . . . 135 GLU CA . 53096 1 576 . 1 . 1 135 135 GLU CB C 13 29.73013119 0.000000337 . 1 . . . . . 135 GLU CB . 53096 1 577 . 1 . 1 135 135 GLU N N 15 122.262632 0.01547407155 . 1 . . . . . 135 GLU N . 53096 1 578 . 1 . 1 136 136 PRO C C 13 177.13475 . . 1 . . . . . 136 PRO C . 53096 1 579 . 1 . 1 136 136 PRO CA C 13 63.44126925 . . 1 . . . . . 136 PRO CA . 53096 1 580 . 1 . 1 136 136 PRO CB C 13 32.02818911 . . 1 . . . . . 136 PRO CB . 53096 1 581 . 1 . 1 137 137 SER H H 1 8.576015237 0.001292474775 . 1 . . . . . 137 SER H . 53096 1 582 . 1 . 1 137 137 SER C C 13 175.2542801 0.004954248763 . 1 . . . . . 137 SER C . 53096 1 583 . 1 . 1 137 137 SER CA C 13 58.76374837 0.05644906896 . 1 . . . . . 137 SER CA . 53096 1 584 . 1 . 1 137 137 SER CB C 13 63.7218329 0.02695952255 . 1 . . . . . 137 SER CB . 53096 1 585 . 1 . 1 137 137 SER N N 15 116.1091877 0.01143225153 . 1 . . . . . 137 SER N . 53096 1 586 . 1 . 1 138 138 GLY H H 1 8.477890294 0.002111747646 . 1 . . . . . 138 GLY H . 53096 1 587 . 1 . 1 138 138 GLY C C 13 173.7786816 0.007886383797 . 1 . . . . . 138 GLY C . 53096 1 588 . 1 . 1 138 138 GLY CA C 13 45.26470234 . . 1 . . . . . 138 GLY CA . 53096 1 589 . 1 . 1 138 138 GLY N N 15 110.8313794 0.005218128698 . 1 . . . . . 138 GLY N . 53096 1 590 . 1 . 1 139 139 TYR H H 1 8.123636322 0.001849416111 . 1 . . . . . 139 TYR H . 53096 1 591 . 1 . 1 139 139 TYR C C 13 175.8445358 0.009284263347 . 1 . . . . . 139 TYR C . 53096 1 592 . 1 . 1 139 139 TYR CA C 13 58.04321067 . . 1 . . . . . 139 TYR CA . 53096 1 593 . 1 . 1 139 139 TYR CB C 13 38.89930177 0.004294258366 . 1 . . . . . 139 TYR CB . 53096 1 594 . 1 . 1 139 139 TYR N N 15 120.171077 0.009291885005 . 1 . . . . . 139 TYR N . 53096 1 595 . 1 . 1 140 140 THR H H 1 8.143682535 0.001429726698 . 1 . . . . . 140 THR H . 53096 1 596 . 1 . 1 140 140 THR C C 13 173.9055973 0.002243901432 . 1 . . . . . 140 THR C . 53096 1 597 . 1 . 1 140 140 THR CA C 13 61.71510672 0.04969699261 . 1 . . . . . 140 THR CA . 53096 1 598 . 1 . 1 140 140 THR CB C 13 70.16777717 0.0181684688 . 1 . . . . . 140 THR CB . 53096 1 599 . 1 . 1 140 140 THR N N 15 117.3603645 0.009239163899 . 1 . . . . . 140 THR N . 53096 1 600 . 1 . 1 141 141 VAL H H 1 8.289212937 0.001040368995 . 1 . . . . . 141 VAL H . 53096 1 601 . 1 . 1 141 141 VAL C C 13 176.01224 0.001704678902 . 1 . . . . . 141 VAL C . 53096 1 602 . 1 . 1 141 141 VAL CA C 13 62.50614638 0.01159508872 . 1 . . . . . 141 VAL CA . 53096 1 603 . 1 . 1 141 141 VAL CB C 13 32.51913969 0.01328073939 . 1 . . . . . 141 VAL CB . 53096 1 604 . 1 . 1 141 141 VAL N N 15 123.5221234 0.01335425599 . 1 . . . . . 141 VAL N . 53096 1 605 . 1 . 1 142 142 ARG H H 1 8.511187459 0.001612111395 . 1 . . . . . 142 ARG H . 53096 1 606 . 1 . 1 142 142 ARG C C 13 176.1702449 0.001083258166 . 1 . . . . . 142 ARG C . 53096 1 607 . 1 . 1 142 142 ARG CA C 13 56.02724531 0.05436624568 . 1 . . . . . 142 ARG CA . 53096 1 608 . 1 . 1 142 142 ARG CB C 13 30.97086247 0.05873165672 . 1 . . . . . 142 ARG CB . 53096 1 609 . 1 . 1 142 142 ARG N N 15 125.7074064 0.01565815489 . 1 . . . . . 142 ARG N . 53096 1 610 . 1 . 1 143 143 GLU H H 1 8.575923991 0.001516774844 . 1 . . . . . 143 GLU H . 53096 1 611 . 1 . 1 143 143 GLU C C 13 176.0292142 0.001069978383 . 1 . . . . . 143 GLU C . 53096 1 612 . 1 . 1 143 143 GLU CA C 13 56.51182668 0.01049837424 . 1 . . . . . 143 GLU CA . 53096 1 613 . 1 . 1 143 143 GLU CB C 13 30.27468903 0.02683448959 . 1 . . . . . 143 GLU CB . 53096 1 614 . 1 . 1 143 143 GLU N N 15 122.8613999 0.01053458522 . 1 . . . . . 143 GLU N . 53096 1 615 . 1 . 1 144 144 ALA H H 1 8.514262992 0.001825608748 . 1 . . . . . 144 ALA H . 53096 1 616 . 1 . 1 144 144 ALA C C 13 177.8171951 0.005049482796 . 1 . . . . . 144 ALA C . 53096 1 617 . 1 . 1 144 144 ALA CA C 13 52.50216584 0.01333165924 . 1 . . . . . 144 ALA CA . 53096 1 618 . 1 . 1 144 144 ALA CB C 13 19.52212049 0.1170909507 . 1 . . . . . 144 ALA CB . 53096 1 619 . 1 . 1 144 144 ALA N N 15 125.4438189 0.006661541732 . 1 . . . . . 144 ALA N . 53096 1 620 . 1 . 1 145 145 GLY H H 1 8.266404439 0.001664318978 . 1 . . . . . 145 GLY H . 53096 1 621 . 1 . 1 145 145 GLY C C 13 179.997159 . . 1 . . . . . 145 GLY C . 53096 1 622 . 1 . 1 145 145 GLY CA C 13 44.35555819 0.006330473752 . 1 . . . . . 145 GLY CA . 53096 1 623 . 1 . 1 145 145 GLY N N 15 108.3481596 0.01286437964 . 1 . . . . . 145 GLY N . 53096 1 624 . 1 . 1 147 147 PRO C C 13 176.6013611 . . 1 . . . . . 147 PRO C . 53096 1 625 . 1 . 1 147 147 PRO CA C 13 62.96638437 . . 1 . . . . . 147 PRO CA . 53096 1 626 . 1 . 1 147 147 PRO CB C 13 32.13288124 . . 1 . . . . . 147 PRO CB . 53096 1 627 . 1 . 1 148 148 ALA H H 1 8.466503219 0.001554951775 . 1 . . . . . 148 ALA H . 53096 1 628 . 1 . 1 148 148 ALA C C 13 177.3047938 0.001118430271 . 1 . . . . . 148 ALA C . 53096 1 629 . 1 . 1 148 148 ALA CA C 13 52.51184997 0.05168997951 . 1 . . . . . 148 ALA CA . 53096 1 630 . 1 . 1 148 148 ALA CB C 13 19.22623856 0.002657198285 . 1 . . . . . 148 ALA CB . 53096 1 631 . 1 . 1 148 148 ALA N N 15 123.8227171 0.01256918523 . 1 . . . . . 148 ALA N . 53096 1 632 . 1 . 1 149 149 PHE H H 1 8.125033302 0.002582905971 . 1 . . . . . 149 PHE H . 53096 1 633 . 1 . 1 149 149 PHE C C 13 174.9907869 0.006330060815 . 1 . . . . . 149 PHE C . 53096 1 634 . 1 . 1 149 149 PHE CA C 13 57.56596113 0.03133782406 . 1 . . . . . 149 PHE CA . 53096 1 635 . 1 . 1 149 149 PHE CB C 13 39.7983131 0.07003756382 . 1 . . . . . 149 PHE CB . 53096 1 636 . 1 . 1 149 149 PHE N N 15 118.6188005 0.01526133701 . 1 . . . . . 149 PHE N . 53096 1 637 . 1 . 1 150 150 TYR H H 1 8.185180251 0.001874549374 . 1 . . . . . 150 TYR H . 53096 1 638 . 1 . 1 150 150 TYR CA C 13 57.69455506 . . 1 . . . . . 150 TYR CA . 53096 1 639 . 1 . 1 150 150 TYR CB C 13 39.00973045 0.03864637178 . 1 . . . . . 150 TYR CB . 53096 1 640 . 1 . 1 150 150 TYR N N 15 122.7270332 0.01361932218 . 1 . . . . . 150 TYR N . 53096 1 641 . 1 . 1 151 151 ARG H H 1 8.216740048 0.00217428084 . 1 . . . . . 151 ARG H . 53096 1 642 . 1 . 1 151 151 ARG C C 13 173.4252945 0 . 1 . . . . . 151 ARG C . 53096 1 643 . 1 . 1 151 151 ARG CA C 13 53.24990447 . . 1 . . . . . 151 ARG CA . 53096 1 644 . 1 . 1 151 151 ARG CB C 13 30.72700207 . . 1 . . . . . 151 ARG CB . 53096 1 645 . 1 . 1 151 151 ARG N N 15 125.7585456 0.008646189652 . 1 . . . . . 151 ARG N . 53096 1 646 . 1 . 1 153 153 ASN C C 13 176.6790171 . . 1 . . . . . 153 ASN C . 53096 1 647 . 1 . 1 154 154 SER H H 1 8.218122605 0.002093695647 . 1 . . . . . 154 SER H . 53096 1 648 . 1 . 1 154 154 SER C C 13 173.4413733 . . 1 . . . . . 154 SER C . 53096 1 649 . 1 . 1 154 154 SER CA C 13 58.2062747 . . 1 . . . . . 154 SER CA . 53096 1 650 . 1 . 1 154 154 SER CB C 13 64.15377049 . . 1 . . . . . 154 SER CB . 53096 1 651 . 1 . 1 154 154 SER N N 15 115.6410193 0.01082613453 . 1 . . . . . 154 SER N . 53096 1 652 . 1 . 1 155 155 ASP H H 1 8.240236694 0.002524019563 . 1 . . . . . 155 ASP H . 53096 1 653 . 1 . 1 155 155 ASP C C 13 179.3458971 . . 1 . . . . . 155 ASP C . 53096 1 654 . 1 . 1 155 155 ASP CA C 13 55.01899237 . . 1 . . . . . 155 ASP CA . 53096 1 655 . 1 . 1 155 155 ASP CB C 13 40.81812099 0 . 1 . . . . . 155 ASP CB . 53096 1 656 . 1 . 1 155 155 ASP N N 15 125.7991793 0.009317162822 . 1 . . . . . 155 ASP N . 53096 1 657 . 1 . 1 156 156 ASN C C 13 175.6542453 0 . 1 . . . . . 156 ASN C . 53096 1 658 . 1 . 1 157 157 ARG H H 1 8.332447174 0.003911846505 . 1 . . . . . 157 ARG H . 53096 1 659 . 1 . 1 157 157 ARG C C 13 176.6830674 0.02873426558 . 1 . . . . . 157 ARG C . 53096 1 660 . 1 . 1 157 157 ARG CA C 13 56.81234622 0.00000067 . 1 . . . . . 157 ARG CA . 53096 1 661 . 1 . 1 157 157 ARG CB C 13 30.48379943 0.08240032814 . 1 . . . . . 157 ARG CB . 53096 1 662 . 1 . 1 157 157 ARG N N 15 120.7038112 0 . 1 . . . . . 157 ARG N . 53096 1 663 . 1 . 1 158 158 ARG H H 1 8.407387728 0.002346643228 . 1 . . . . . 158 ARG H . 53096 1 664 . 1 . 1 158 158 ARG C C 13 176.4730665 0.001159297733 . 1 . . . . . 158 ARG C . 53096 1 665 . 1 . 1 158 158 ARG CA C 13 56.31732571 . . 1 . . . . . 158 ARG CA . 53096 1 666 . 1 . 1 158 158 ARG N N 15 121.4725818 0.01440215878 . 1 . . . . . 158 ARG N . 53096 1 667 . 1 . 1 159 159 GLN H H 1 8.564981582 0.00334276769 . 1 . . . . . 159 GLN H . 53096 1 668 . 1 . 1 159 159 GLN C C 13 176.5578414 0.01151924254 . 1 . . . . . 159 GLN C . 53096 1 669 . 1 . 1 159 159 GLN CA C 13 56.34278998 . . 1 . . . . . 159 GLN CA . 53096 1 670 . 1 . 1 159 159 GLN N N 15 121.7530414 0.0200219981 . 1 . . . . . 159 GLN N . 53096 1 671 . 1 . 1 160 160 GLY H H 1 8.63571022 0.003337159134 . 1 . . . . . 160 GLY H . 53096 1 672 . 1 . 1 160 160 GLY C C 13 174.6958468 0.006232185115 . 1 . . . . . 160 GLY C . 53096 1 673 . 1 . 1 160 160 GLY CA C 13 45.43743519 0 . 1 . . . . . 160 GLY CA . 53096 1 674 . 1 . 1 160 160 GLY N N 15 110.6283015 0.0000013 . 1 . . . . . 160 GLY N . 53096 1 675 . 1 . 1 161 161 GLY H H 1 8.476120663 0.001510424042 . 1 . . . . . 161 GLY H . 53096 1 676 . 1 . 1 161 161 GLY C C 13 174.4551796 0.0009894287155 . 1 . . . . . 161 GLY C . 53096 1 677 . 1 . 1 161 161 GLY CA C 13 45.30804779 0.009158787401 . 1 . . . . . 161 GLY CA . 53096 1 678 . 1 . 1 161 161 GLY N N 15 108.9327972 0.00445495215 . 1 . . . . . 161 GLY N . 53096 1 679 . 1 . 1 162 162 ARG H H 1 8.39796568 0.003264252199 . 1 . . . . . 162 ARG H . 53096 1 680 . 1 . 1 162 162 ARG C C 13 176.6154972 0.004752751133 . 1 . . . . . 162 ARG C . 53096 1 681 . 1 . 1 162 162 ARG CA C 13 56.31592336 0.03699336736 . 1 . . . . . 162 ARG CA . 53096 1 682 . 1 . 1 162 162 ARG CB C 13 30.82508816 0.07428303679 . 1 . . . . . 162 ARG CB . 53096 1 683 . 1 . 1 162 162 ARG N N 15 120.5704711 0.02050523138 . 1 . . . . . 162 ARG N . 53096 1 684 . 1 . 1 163 163 GLU H H 1 8.710849096 0.001863410304 . 1 . . . . . 163 GLU H . 53096 1 685 . 1 . 1 163 163 GLU C C 13 176.4984626 0.003989432031 . 1 . . . . . 163 GLU C . 53096 1 686 . 1 . 1 163 163 GLU CA C 13 56.91663414 0.01254831768 . 1 . . . . . 163 GLU CA . 53096 1 687 . 1 . 1 163 163 GLU CB C 13 29.95334154 0.03607227443 . 1 . . . . . 163 GLU CB . 53096 1 688 . 1 . 1 163 163 GLU N N 15 122.0191531 0.007201980482 . 1 . . . . . 163 GLU N . 53096 1 689 . 1 . 1 164 164 ARG H H 1 8.468139496 0.0008235459256 . 1 . . . . . 164 ARG H . 53096 1 690 . 1 . 1 164 164 ARG C C 13 176.2558909 0.003533331296 . 1 . . . . . 164 ARG C . 53096 1 691 . 1 . 1 164 164 ARG CA C 13 56.1510077 0.01949770575 . 1 . . . . . 164 ARG CA . 53096 1 692 . 1 . 1 164 164 ARG CB C 13 30.70844326 0.01485738466 . 1 . . . . . 164 ARG CB . 53096 1 693 . 1 . 1 164 164 ARG N N 15 122.5072715 0.003722055366 . 1 . . . . . 164 ARG N . 53096 1 694 . 1 . 1 165 165 LEU H H 1 8.392443762 0.002598626293 . 1 . . . . . 165 LEU H . 53096 1 695 . 1 . 1 165 165 LEU C C 13 177.2031249 0.000280950576 . 1 . . . . . 165 LEU C . 53096 1 696 . 1 . 1 165 165 LEU CA C 13 54.94614551 0.02565650987 . 1 . . . . . 165 LEU CA . 53096 1 697 . 1 . 1 165 165 LEU CB C 13 42.37260475 0.01158299182 . 1 . . . . . 165 LEU CB . 53096 1 698 . 1 . 1 165 165 LEU N N 15 123.9350786 0.01486655066 . 1 . . . . . 165 LEU N . 53096 1 699 . 1 . 1 166 166 ALA H H 1 8.461514378 0.005403131892 . 1 . . . . . 166 ALA H . 53096 1 700 . 1 . 1 166 166 ALA C C 13 177.8515424 0.006236920662 . 1 . . . . . 166 ALA C . 53096 1 701 . 1 . 1 166 166 ALA CA C 13 52.60093965 0.01055044457 . 1 . . . . . 166 ALA CA . 53096 1 702 . 1 . 1 166 166 ALA CB C 13 19.23836942 . . 1 . . . . . 166 ALA CB . 53096 1 703 . 1 . 1 166 166 ALA N N 15 125.2716226 0.006720814578 . 1 . . . . . 166 ALA N . 53096 1 704 . 1 . 1 167 167 SER H H 1 8.458390025 0.003035794731 . 1 . . . . . 167 SER H . 53096 1 705 . 1 . 1 167 167 SER C C 13 175.058777 0.00457304446 . 1 . . . . . 167 SER C . 53096 1 706 . 1 . 1 167 167 SER CA C 13 58.14476501 . . 1 . . . . . 167 SER CA . 53096 1 707 . 1 . 1 167 167 SER CB C 13 63.8126405 0 . 1 . . . . . 167 SER CB . 53096 1 708 . 1 . 1 167 167 SER N N 15 115.3329918 0.005329789269 . 1 . . . . . 167 SER N . 53096 1 709 . 1 . 1 168 168 THR H H 1 8.317658533 0.005645416296 . 1 . . . . . 168 THR H . 53096 1 710 . 1 . 1 168 168 THR C C 13 174.45773 0.03910050848 . 1 . . . . . 168 THR C . 53096 1 711 . 1 . 1 168 168 THR CA C 13 62.03935507 . . 1 . . . . . 168 THR CA . 53096 1 712 . 1 . 1 168 168 THR N N 15 115.6442412 0.004399279051 . 1 . . . . . 168 THR N . 53096 1 713 . 1 . 1 169 169 ASN H H 1 8.504046184 0.001084418398 . 1 . . . . . 169 ASN H . 53096 1 714 . 1 . 1 169 169 ASN C C 13 174.9548106 0.004357430939 . 1 . . . . . 169 ASN C . 53096 1 715 . 1 . 1 169 169 ASN CA C 13 53.21638768 0.08222236903 . 1 . . . . . 169 ASN CA . 53096 1 716 . 1 . 1 169 169 ASN CB C 13 38.73302234 0.09647281358 . 1 . . . . . 169 ASN CB . 53096 1 717 . 1 . 1 169 169 ASN N N 15 120.555956 0.002155088313 . 1 . . . . . 169 ASN N . 53096 1 718 . 1 . 1 170 170 ASP H H 1 8.359378243 0.002007879536 . 1 . . . . . 170 ASP H . 53096 1 719 . 1 . 1 170 170 ASP C C 13 176.5679417 0.006662793041 . 1 . . . . . 170 ASP C . 53096 1 720 . 1 . 1 170 170 ASP CA C 13 54.46349352 0.006405067413 . 1 . . . . . 170 ASP CA . 53096 1 721 . 1 . 1 170 170 ASP CB C 13 41.12972016 0.002256254871 . 1 . . . . . 170 ASP CB . 53096 1 722 . 1 . 1 170 170 ASP N N 15 121.1295983 0.009445607172 . 1 . . . . . 170 ASP N . 53096 1 723 . 1 . 1 171 171 LYS H H 1 8.478195438 0.00218621164 . 1 . . . . . 171 LYS H . 53096 1 724 . 1 . 1 171 171 LYS C C 13 177.5409687 0.004776849458 . 1 . . . . . 171 LYS C . 53096 1 725 . 1 . 1 171 171 LYS CA C 13 56.80318971 0.07329229589 . 1 . . . . . 171 LYS CA . 53096 1 726 . 1 . 1 171 171 LYS CB C 13 32.62884813 0.02196600398 . 1 . . . . . 171 LYS CB . 53096 1 727 . 1 . 1 171 171 LYS N N 15 121.9295034 0.009889967387 . 1 . . . . . 171 LYS N . 53096 1 728 . 1 . 1 172 172 GLY H H 1 8.524671081 0.005166921742 . 1 . . . . . 172 GLY H . 53096 1 729 . 1 . 1 172 172 GLY C C 13 174.5115415 0.006496004392 . 1 . . . . . 172 GLY C . 53096 1 730 . 1 . 1 172 172 GLY CA C 13 45.40801781 0.040965763 . 1 . . . . . 172 GLY CA . 53096 1 731 . 1 . 1 172 172 GLY N N 15 109.5079355 0.005146363815 . 1 . . . . . 172 GLY N . 53096 1 732 . 1 . 1 173 173 SER H H 1 8.29202998 0.00366467923 . 1 . . . . . 173 SER H . 53096 1 733 . 1 . 1 173 173 SER C C 13 174.9490907 0.0229734716 . 1 . . . . . 173 SER C . 53096 1 734 . 1 . 1 173 173 SER CA C 13 58.68540112 . . 1 . . . . . 173 SER CA . 53096 1 735 . 1 . 1 173 173 SER CB C 13 63.82575539 0 . 1 . . . . . 173 SER CB . 53096 1 736 . 1 . 1 173 173 SER N N 15 115.8868537 0.00261373407 . 1 . . . . . 173 SER N . 53096 1 737 . 1 . 1 174 174 MET H H 1 8.485634674 0.004953077284 . 1 . . . . . 174 MET H . 53096 1 738 . 1 . 1 174 174 MET C C 13 176.2518524 0.01843412708 . 1 . . . . . 174 MET C . 53096 1 739 . 1 . 1 174 174 MET CA C 13 55.70672467 . . 1 . . . . . 174 MET CA . 53096 1 740 . 1 . 1 174 174 MET CB C 13 32.71353686 0.02876111816 . 1 . . . . . 174 MET CB . 53096 1 741 . 1 . 1 174 174 MET N N 15 122.2708362 0.0102549036 . 1 . . . . . 174 MET N . 53096 1 742 . 1 . 1 175 175 ALA H H 1 8.34004626 0.00180237312 . 1 . . . . . 175 ALA H . 53096 1 743 . 1 . 1 175 175 ALA C C 13 177.9721578 0.0005570698953 . 1 . . . . . 175 ALA C . 53096 1 744 . 1 . 1 175 175 ALA CA C 13 52.7932571 0.0167027085 . 1 . . . . . 175 ALA CA . 53096 1 745 . 1 . 1 175 175 ALA CB C 13 19.0221583 0.03870681563 . 1 . . . . . 175 ALA CB . 53096 1 746 . 1 . 1 175 175 ALA N N 15 124.948079 0.00684002864 . 1 . . . . . 175 ALA N . 53096 1 747 . 1 . 1 176 176 MET H H 1 8.40886699 0.001731105861 . 1 . . . . . 176 MET H . 53096 1 748 . 1 . 1 176 176 MET C C 13 176.6928115 0.001210313031 . 1 . . . . . 176 MET C . 53096 1 749 . 1 . 1 176 176 MET CA C 13 55.61980484 0.01071180675 . 1 . . . . . 176 MET CA . 53096 1 750 . 1 . 1 176 176 MET CB C 13 32.81441283 0.03824968959 . 1 . . . . . 176 MET CB . 53096 1 751 . 1 . 1 176 176 MET N N 15 119.772462 0.01251368863 . 1 . . . . . 176 MET N . 53096 1 752 . 1 . 1 177 177 GLU H H 1 8.548105715 0.001498236783 . 1 . . . . . 177 GLU H . 53096 1 753 . 1 . 1 177 177 GLU C C 13 176.8319846 0.007760339213 . 1 . . . . . 177 GLU C . 53096 1 754 . 1 . 1 177 177 GLU CA C 13 56.89569282 0.006512913906 . 1 . . . . . 177 GLU CA . 53096 1 755 . 1 . 1 177 177 GLU CB C 13 30.21922253 0.02382832823 . 1 . . . . . 177 GLU CB . 53096 1 756 . 1 . 1 177 177 GLU N N 15 122.3652906 0.008224091737 . 1 . . . . . 177 GLU N . 53096 1 757 . 1 . 1 178 178 SER H H 1 8.463179064 0.001812260192 . 1 . . . . . 178 SER H . 53096 1 758 . 1 . 1 178 178 SER C C 13 174.4441473 0.001410629711 . 1 . . . . . 178 SER C . 53096 1 759 . 1 . 1 178 178 SER CA C 13 58.58536033 . . 1 . . . . . 178 SER CA . 53096 1 760 . 1 . 1 178 178 SER CB C 13 63.75129261 0.01352085115 . 1 . . . . . 178 SER CB . 53096 1 761 . 1 . 1 178 178 SER N N 15 117.139309 0.01241268998 . 1 . . . . . 178 SER N . 53096 1 762 . 1 . 1 179 179 ALA H H 1 8.409792273 0.001698751625 . 1 . . . . . 179 ALA H . 53096 1 763 . 1 . 1 179 179 ALA C C 13 177.8510929 0.006098802356 . 1 . . . . . 179 ALA C . 53096 1 764 . 1 . 1 179 179 ALA CA C 13 52.65986729 . . 1 . . . . . 179 ALA CA . 53096 1 765 . 1 . 1 179 179 ALA CB C 13 19.06880468 0.01344907774 . 1 . . . . . 179 ALA CB . 53096 1 766 . 1 . 1 179 179 ALA N N 15 125.9845107 0.01312350128 . 1 . . . . . 179 ALA N . 53096 1 767 . 1 . 1 180 180 LYS H H 1 8.328400688 0.001315675735 . 1 . . . . . 180 LYS H . 53096 1 768 . 1 . 1 180 180 LYS C C 13 176.6869114 0.000404812 . 1 . . . . . 180 LYS C . 53096 1 769 . 1 . 1 180 180 LYS CA C 13 56.58793001 0.06359211665 . 1 . . . . . 180 LYS CA . 53096 1 770 . 1 . 1 180 180 LYS CB C 13 33.08728053 0.02044749526 . 1 . . . . . 180 LYS CB . 53096 1 771 . 1 . 1 180 180 LYS N N 15 120.6974283 0.01251313261 . 1 . . . . . 180 LYS N . 53096 1 772 . 1 . 1 181 181 GLU H H 1 8.50148366 0.001076847199 . 1 . . . . . 181 GLU H . 53096 1 773 . 1 . 1 181 181 GLU C C 13 176.4789521 0.004370470789 . 1 . . . . . 181 GLU C . 53096 1 774 . 1 . 1 181 181 GLU CA C 13 56.49633385 0.001643704095 . 1 . . . . . 181 GLU CA . 53096 1 775 . 1 . 1 181 181 GLU CB C 13 30.33779953 0.03859104368 . 1 . . . . . 181 GLU CB . 53096 1 776 . 1 . 1 181 181 GLU N N 15 122.0162895 0.005794500504 . 1 . . . . . 181 GLU N . 53096 1 777 . 1 . 1 182 182 THR H H 1 8.335053263 0.002445678595 . 1 . . . . . 182 THR H . 53096 1 778 . 1 . 1 182 182 THR C C 13 174.058773 0.0148128046 . 1 . . . . . 182 THR C . 53096 1 779 . 1 . 1 182 182 THR CA C 13 62.02045574 0.05541093703 . 1 . . . . . 182 THR CA . 53096 1 780 . 1 . 1 182 182 THR CB C 13 69.79755371 0.003305799736 . 1 . . . . . 182 THR CB . 53096 1 781 . 1 . 1 182 182 THR N N 15 117.0050762 0.0122706026 . 1 . . . . . 182 THR N . 53096 1 782 . 1 . 1 183 183 ARG H H 1 8.46261907 0.002088397226 . 1 . . . . . 183 ARG H . 53096 1 783 . 1 . 1 183 183 ARG C C 13 174.8739569 0.003675831972 . 1 . . . . . 183 ARG C . 53096 1 784 . 1 . 1 183 183 ARG CA C 13 55.89564123 0.002922263602 . 1 . . . . . 183 ARG CA . 53096 1 785 . 1 . 1 183 183 ARG CB C 13 30.94566094 0.0009046902234 . 1 . . . . . 183 ARG CB . 53096 1 786 . 1 . 1 183 183 ARG N N 15 124.6508531 0.007213335824 . 1 . . . . . 183 ARG N . 53096 1 787 . 1 . 1 184 184 TYR H H 1 7.89622087 0.001036538952 . 1 . . . . . 184 TYR H . 53096 1 788 . 1 . 1 184 184 TYR CA C 13 59.13273456 0.009399736657 . 1 . . . . . 184 TYR CA . 53096 1 789 . 1 . 1 184 184 TYR CB C 13 39.46833209 . . 1 . . . . . 184 TYR CB . 53096 1 790 . 1 . 1 184 184 TYR N N 15 126.3629463 0.01122886182 . 1 . . . . . 184 TYR N . 53096 1 stop_ save_