################################### # 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_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 16922 _Assigned_chem_shift_list.ID 1 _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 $chemical_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' . . . 16922 1 2 '3D HNCO' . . . 16922 1 3 '3D HNCA' . . . 16922 1 4 '3D HNCACB' . . . 16922 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 2 $CARA . . 16922 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_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.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 C C 13 171.972 0.000 . 1 . . . . 396 MET C . 16922 1 2 . 1 1 1 1 MET CA C 13 54.666 0.000 . 1 . . . . 396 MET CA . 16922 1 3 . 1 1 1 1 MET CB C 13 32.549 0.000 . 1 . . . . 396 MET CB . 16922 1 4 . 1 1 2 2 VAL H H 1 8.034 0.000 . 1 . . . . 397 VAL H . 16922 1 5 . 1 1 2 2 VAL C C 13 173.941 0.000 . 1 . . . . 397 VAL C . 16922 1 6 . 1 1 2 2 VAL CA C 13 61.946 0.000 . 1 . . . . 397 VAL CA . 16922 1 7 . 1 1 2 2 VAL CB C 13 32.043 0.000 . 1 . . . . 397 VAL CB . 16922 1 8 . 1 1 2 2 VAL N N 15 122.148 0.000 . 1 . . . . 397 VAL N . 16922 1 9 . 1 1 3 3 GLN H H 1 8.306 0.000 . 1 . . . . 398 GLN H . 16922 1 10 . 1 1 3 3 GLN C C 13 174.998 0.000 . 1 . . . . 398 GLN C . 16922 1 11 . 1 1 3 3 GLN CA C 13 55.108 0.000 . 1 . . . . 398 GLN CA . 16922 1 12 . 1 1 3 3 GLN CB C 13 28.879 0.000 . 1 . . . . 398 GLN CB . 16922 1 13 . 1 1 3 3 GLN N N 15 124.031 0.000 . 1 . . . . 398 GLN N . 16922 1 14 . 1 1 4 4 ILE H H 1 8.171 0.000 . 1 . . . . 399 ILE H . 16922 1 15 . 1 1 4 4 ILE CA C 13 60.317 0.000 . 1 . . . . 399 ILE CA . 16922 1 16 . 1 1 4 4 ILE CB C 13 38.113 0.000 . 1 . . . . 399 ILE CB . 16922 1 17 . 1 1 4 4 ILE N N 15 123.217 0.000 . 1 . . . . 399 ILE N . 16922 1 18 . 1 1 5 5 GLN H H 1 8.162 0.000 . 1 . . . . 400 GLN H . 16922 1 19 . 1 1 5 5 GLN CA C 13 55.402 0.000 . 1 . . . . 400 GLN CA . 16922 1 20 . 1 1 5 5 GLN CB C 13 28.916 0.000 . 1 . . . . 400 GLN CB . 16922 1 21 . 1 1 5 5 GLN N N 15 124.365 0.000 . 1 . . . . 400 GLN N . 16922 1 22 . 1 1 6 6 GLY H H 1 8.942 0.000 . 1 . . . . 401 GLY H . 16922 1 23 . 1 1 6 6 GLY CA C 13 47.102 0.000 . 1 . . . . 401 GLY CA . 16922 1 24 . 1 1 6 6 GLY N N 15 112.804 0.000 . 1 . . . . 401 GLY N . 16922 1 25 . 1 1 7 7 SER H H 1 8.492 0.000 . 1 . . . . 402 SER H . 16922 1 26 . 1 1 7 7 SER CA C 13 60.141 0.000 . 1 . . . . 402 SER CA . 16922 1 27 . 1 1 7 7 SER CB C 13 62.352 0.000 . 1 . . . . 402 SER CB . 16922 1 28 . 1 1 7 7 SER N N 15 115.734 0.000 . 1 . . . . 402 SER N . 16922 1 29 . 1 1 8 8 VAL H H 1 7.671 0.000 . 1 . . . . 403 VAL H . 16922 1 30 . 1 1 8 8 VAL C C 13 173.053 0.000 . 1 . . . . 403 VAL C . 16922 1 31 . 1 1 8 8 VAL CA C 13 65.144 0.000 . 1 . . . . 403 VAL CA . 16922 1 32 . 1 1 8 8 VAL CB C 13 30.841 0.000 . 1 . . . . 403 VAL CB . 16922 1 33 . 1 1 8 8 VAL N N 15 123.992 0.000 . 1 . . . . 403 VAL N . 16922 1 34 . 1 1 9 9 VAL H H 1 7.564 0.000 . 1 . . . . 404 VAL H . 16922 1 35 . 1 1 9 9 VAL C C 13 174.314 0.000 . 1 . . . . 404 VAL C . 16922 1 36 . 1 1 9 9 VAL CA C 13 66.292 0.000 . 1 . . . . 404 VAL CA . 16922 1 37 . 1 1 9 9 VAL CB C 13 30.525 0.000 . 1 . . . . 404 VAL CB . 16922 1 38 . 1 1 9 9 VAL N N 15 120.074 0.000 . 1 . . . . 404 VAL N . 16922 1 39 . 1 1 10 10 ALA H H 1 8.191 0.000 . 1 . . . . 405 ALA H . 16922 1 40 . 1 1 10 10 ALA CA C 13 55.225 0.000 . 1 . . . . 405 ALA CA . 16922 1 41 . 1 1 10 10 ALA CB C 13 17.553 0.000 . 1 . . . . 405 ALA CB . 16922 1 42 . 1 1 10 10 ALA N N 15 120.980 0.000 . 1 . . . . 405 ALA N . 16922 1 43 . 1 1 11 11 ALA H H 1 7.784 0.000 . 1 . . . . 406 ALA H . 16922 1 44 . 1 1 11 11 ALA C C 13 176.945 0.000 . 1 . . . . 406 ALA C . 16922 1 45 . 1 1 11 11 ALA CA C 13 54.762 0.000 . 1 . . . . 406 ALA CA . 16922 1 46 . 1 1 11 11 ALA CB C 13 17.663 0.000 . 1 . . . . 406 ALA CB . 16922 1 47 . 1 1 11 11 ALA N N 15 120.764 0.000 . 1 . . . . 406 ALA N . 16922 1 48 . 1 1 12 12 ALA H H 1 8.177 0.000 . 1 . . . . 407 ALA H . 16922 1 49 . 1 1 12 12 ALA CA C 13 54.784 0.000 . 1 . . . . 407 ALA CA . 16922 1 50 . 1 1 12 12 ALA N N 15 122.201 0.000 . 1 . . . . 407 ALA N . 16922 1 51 . 1 1 13 13 LEU H H 1 8.367 0.000 . 1 . . . . 408 LEU H . 16922 1 52 . 1 1 13 13 LEU CA C 13 57.677 0.000 . 1 . . . . 408 LEU CA . 16922 1 53 . 1 1 13 13 LEU CB C 13 40.741 0.000 . 1 . . . . 408 LEU CB . 16922 1 54 . 1 1 13 13 LEU N N 15 117.399 0.000 . 1 . . . . 408 LEU N . 16922 1 55 . 1 1 14 14 SER H H 1 8.160 0.000 . 1 . . . . 409 SER H . 16922 1 56 . 1 1 14 14 SER CA C 13 61.730 0.000 . 1 . . . . 409 SER CA . 16922 1 57 . 1 1 14 14 SER CB C 13 62.451 0.000 . 1 . . . . 409 SER CB . 16922 1 58 . 1 1 14 14 SER N N 15 113.434 0.000 . 1 . . . . 409 SER N . 16922 1 59 . 1 1 15 15 ALA H H 1 7.872 0.000 . 1 . . . . 410 ALA H . 16922 1 60 . 1 1 15 15 ALA C C 13 173.562 0.000 . 1 . . . . 410 ALA C . 16922 1 61 . 1 1 15 15 ALA CA C 13 54.902 0.000 . 1 . . . . 410 ALA CA . 16922 1 62 . 1 1 15 15 ALA CB C 13 17.743 0.000 . 1 . . . . 410 ALA CB . 16922 1 63 . 1 1 15 15 ALA N N 15 124.217 0.000 . 1 . . . . 410 ALA N . 16922 1 64 . 1 1 16 16 VAL H H 1 8.043 0.000 . 1 . . . . 411 VAL H . 16922 1 65 . 1 1 16 16 VAL CA C 13 66.175 0.000 . 1 . . . . 411 VAL CA . 16922 1 66 . 1 1 16 16 VAL CB C 13 31.031 0.000 . 1 . . . . 411 VAL CB . 16922 1 67 . 1 1 16 16 VAL N N 15 117.905 0.000 . 1 . . . . 411 VAL N . 16922 1 68 . 1 1 17 17 ILE H H 1 8.272 0.000 . 1 . . . . 412 ILE H . 16922 1 69 . 1 1 17 17 ILE C C 13 177.277 0.000 . 1 . . . . 412 ILE C . 16922 1 70 . 1 1 17 17 ILE CA C 13 64.965 0.000 . 1 . . . . 412 ILE CA . 16922 1 71 . 1 1 17 17 ILE CB C 13 36.409 0.000 . 1 . . . . 412 ILE CB . 16922 1 72 . 1 1 17 17 ILE N N 15 119.651 0.000 . 1 . . . . 412 ILE N . 16922 1 73 . 1 1 18 18 THR H H 1 7.906 0.000 . 1 . . . . 413 THR H . 16922 1 74 . 1 1 18 18 THR C C 13 175.667 0.000 . 1 . . . . 413 THR C . 16922 1 75 . 1 1 18 18 THR CA C 13 66.620 0.000 . 1 . . . . 413 THR CA . 16922 1 76 . 1 1 18 18 THR CB C 13 68.434 0.000 . 1 . . . . 413 THR CB . 16922 1 77 . 1 1 18 18 THR N N 15 115.404 0.000 . 1 . . . . 413 THR N . 16922 1 78 . 1 1 19 19 LEU H H 1 7.781 0.000 . 1 . . . . 414 LEU H . 16922 1 79 . 1 1 19 19 LEU C C 13 178.771 0.000 . 1 . . . . 414 LEU C . 16922 1 80 . 1 1 19 19 LEU CA C 13 57.904 0.000 . 1 . . . . 414 LEU CA . 16922 1 81 . 1 1 19 19 LEU CB C 13 41.534 0.000 . 1 . . . . 414 LEU CB . 16922 1 82 . 1 1 19 19 LEU N N 15 121.958 0.000 . 1 . . . . 414 LEU N . 16922 1 83 . 1 1 20 20 ILE H H 1 8.103 0.000 . 1 . . . . 415 ILE H . 16922 1 84 . 1 1 20 20 ILE C C 13 177.084 0.000 . 1 . . . . 415 ILE C . 16922 1 85 . 1 1 20 20 ILE CA C 13 64.291 0.000 . 1 . . . . 415 ILE CA . 16922 1 86 . 1 1 20 20 ILE CB C 13 37.295 0.000 . 1 . . . . 415 ILE CB . 16922 1 87 . 1 1 20 20 ILE N N 15 117.950 0.000 . 1 . . . . 415 ILE N . 16922 1 88 . 1 1 21 21 ALA H H 1 8.284 0.000 . 1 . . . . 416 ALA H . 16922 1 89 . 1 1 21 21 ALA CA C 13 54.460 0.000 . 1 . . . . 416 ALA CA . 16922 1 90 . 1 1 21 21 ALA CB C 13 17.947 0.000 . 1 . . . . 416 ALA CB . 16922 1 91 . 1 1 21 21 ALA N N 15 122.093 0.000 . 1 . . . . 416 ALA N . 16922 1 92 . 1 1 22 22 MET H H 1 8.108 0.000 . 1 . . . . 417 MET H . 16922 1 93 . 1 1 22 22 MET CA C 13 57.234 0.000 . 1 . . . . 417 MET CA . 16922 1 94 . 1 1 22 22 MET CB C 13 31.763 0.000 . 1 . . . . 417 MET CB . 16922 1 95 . 1 1 22 22 MET N N 15 115.347 0.000 . 1 . . . . 417 MET N . 16922 1 96 . 1 1 23 23 GLN H H 1 8.086 0.000 . 1 . . . . 418 GLN H . 16922 1 97 . 1 1 23 23 GLN CA C 13 57.234 0.000 . 1 . . . . 418 GLN CA . 16922 1 98 . 1 1 23 23 GLN CB C 13 27.551 0.000 . 1 . . . . 418 GLN CB . 16922 1 99 . 1 1 23 23 GLN N N 15 117.468 0.000 . 1 . . . . 418 GLN N . 16922 1 100 . 1 1 24 24 TRP H H 1 8.047 0.000 . 1 . . . . 419 TRP H . 16922 1 101 . 1 1 24 24 TRP CA C 13 59.235 0.000 . 1 . . . . 419 TRP CA . 16922 1 102 . 1 1 24 24 TRP CB C 13 28.816 0.000 . 1 . . . . 419 TRP CB . 16922 1 103 . 1 1 24 24 TRP N N 15 119.936 0.000 . 1 . . . . 419 TRP N . 16922 1 104 . 1 1 25 25 LEU H H 1 7.824 0.000 . 1 . . . . 420 LEU H . 16922 1 105 . 1 1 25 25 LEU CA C 13 56.947 0.000 . 1 . . . . 420 LEU CA . 16922 1 106 . 1 1 25 25 LEU CB C 13 40.902 0.000 . 1 . . . . 420 LEU CB . 16922 1 107 . 1 1 25 25 LEU N N 15 119.063 0.000 . 1 . . . . 420 LEU N . 16922 1 108 . 1 1 26 26 MET H H 1 7.795 0.000 . 1 . . . . 421 MET H . 16922 1 109 . 1 1 26 26 MET C C 13 176.784 0.000 . 1 . . . . 421 MET C . 16922 1 110 . 1 1 26 26 MET CA C 13 56.697 0.000 . 1 . . . . 421 MET CA . 16922 1 111 . 1 1 26 26 MET CB C 13 41.091 0.000 . 1 . . . . 421 MET CB . 16922 1 112 . 1 1 26 26 MET N N 15 116.364 0.000 . 1 . . . . 421 MET N . 16922 1 113 . 1 1 27 27 ALA H H 1 7.715 0.000 . 1 . . . . 422 ALA H . 16922 1 114 . 1 1 27 27 ALA CA C 13 52.750 0.000 . 1 . . . . 422 ALA CA . 16922 1 115 . 1 1 27 27 ALA CB C 13 18.312 0.000 . 1 . . . . 422 ALA CB . 16922 1 116 . 1 1 27 27 ALA N N 15 121.865 0.000 . 1 . . . . 422 ALA N . 16922 1 117 . 1 1 28 28 PHE H H 1 7.801 0.000 . 1 . . . . 423 PHE H . 16922 1 118 . 1 1 28 28 PHE CA C 13 58.116 0.000 . 1 . . . . 423 PHE CA . 16922 1 119 . 1 1 28 28 PHE CB C 13 38.750 0.000 . 1 . . . . 423 PHE CB . 16922 1 120 . 1 1 28 28 PHE N N 15 118.315 0.000 . 1 . . . . 423 PHE N . 16922 1 121 . 1 1 29 29 ASP H H 1 8.012 0.000 . 1 . . . . 424 ASP H . 16922 1 122 . 1 1 29 29 ASP C C 13 175.345 0.000 . 1 . . . . 424 ASP C . 16922 1 123 . 1 1 29 29 ASP CA C 13 53.879 0.000 . 1 . . . . 424 ASP CA . 16922 1 124 . 1 1 29 29 ASP CB C 13 40.459 0.000 . 1 . . . . 424 ASP CB . 16922 1 125 . 1 1 29 29 ASP N N 15 121.442 0.000 . 1 . . . . 424 ASP N . 16922 1 126 . 1 1 30 30 ALA H H 1 8.331 0.000 . 1 . . . . 425 ALA H . 16922 1 127 . 1 1 30 30 ALA C C 13 177.406 0.000 . 1 . . . . 425 ALA C . 16922 1 128 . 1 1 30 30 ALA CA C 13 53.960 0.000 . 1 . . . . 425 ALA CA . 16922 1 129 . 1 1 30 30 ALA CB C 13 17.996 0.000 . 1 . . . . 425 ALA CB . 16922 1 130 . 1 1 30 30 ALA N N 15 124.687 0.000 . 1 . . . . 425 ALA N . 16922 1 131 . 1 1 31 31 ALA H H 1 8.198 0.000 . 1 . . . . 426 ALA H . 16922 1 132 . 1 1 31 31 ALA CA C 13 54.048 0.000 . 1 . . . . 426 ALA CA . 16922 1 133 . 1 1 31 31 ALA CB C 13 17.869 0.000 . 1 . . . . 426 ALA CB . 16922 1 134 . 1 1 31 31 ALA N N 15 120.365 0.000 . 1 . . . . 426 ALA N . 16922 1 135 . 1 1 32 32 ASN H H 1 7.997 0.000 . 1 . . . . 427 ASN H . 16922 1 136 . 1 1 32 32 ASN CA C 13 54.515 0.000 . 1 . . . . 427 ASN CA . 16922 1 137 . 1 1 32 32 ASN CB C 13 38.434 0.000 . 1 . . . . 427 ASN CB . 16922 1 138 . 1 1 32 32 ASN N N 15 116.030 0.000 . 1 . . . . 427 ASN N . 16922 1 139 . 1 1 33 33 LEU H H 1 8.001 0.000 . 1 . . . . 428 LEU H . 16922 1 140 . 1 1 33 33 LEU C C 13 175.660 0.000 . 1 . . . . 428 LEU C . 16922 1 141 . 1 1 33 33 LEU CA C 13 57.609 0.000 . 1 . . . . 428 LEU CA . 16922 1 142 . 1 1 33 33 LEU CB C 13 40.902 0.000 . 1 . . . . 428 LEU CB . 16922 1 143 . 1 1 33 33 LEU N N 15 120.657 0.000 . 1 . . . . 428 LEU N . 16922 1 144 . 1 1 36 36 LEU H H 1 7.823 0.000 . 1 . . . . 431 LEU H . 16922 1 145 . 1 1 36 36 LEU C C 13 178.346 0.000 . 1 . . . . 431 LEU C . 16922 1 146 . 1 1 36 36 LEU CA C 13 57.726 0.000 . 1 . . . . 431 LEU CA . 16922 1 147 . 1 1 36 36 LEU CB C 13 40.812 0.000 . 1 . . . . 431 LEU CB . 16922 1 148 . 1 1 36 36 LEU N N 15 118.699 0.000 . 1 . . . . 431 LEU N . 16922 1 149 . 1 1 37 37 TYR H H 1 8.009 0.000 . 1 . . . . 432 TYR H . 16922 1 150 . 1 1 37 37 TYR C C 13 176.079 0.000 . 1 . . . . 432 TYR C . 16922 1 151 . 1 1 37 37 TYR CA C 13 61.289 0.000 . 1 . . . . 432 TYR CA . 16922 1 152 . 1 1 37 37 TYR CB C 13 37.611 0.000 . 1 . . . . 432 TYR CB . 16922 1 153 . 1 1 37 37 TYR N N 15 119.736 0.000 . 1 . . . . 432 TYR N . 16922 1 154 . 1 1 38 38 LEU H H 1 8.246 0.000 . 1 . . . . 433 LEU H . 16922 1 155 . 1 1 38 38 LEU C C 13 179.260 0.000 . 1 . . . . 433 LEU C . 16922 1 156 . 1 1 38 38 LEU CA C 13 57.694 0.000 . 1 . . . . 433 LEU CA . 16922 1 157 . 1 1 38 38 LEU CB C 13 40.712 0.000 . 1 . . . . 433 LEU CB . 16922 1 158 . 1 1 38 38 LEU N N 15 118.772 0.000 . 1 . . . . 433 LEU N . 16922 1 159 . 1 1 39 39 LEU H H 1 8.089 0.000 . 1 . . . . 434 LEU H . 16922 1 160 . 1 1 39 39 LEU C C 13 178.346 0.000 . 1 . . . . 434 LEU C . 16922 1 161 . 1 1 39 39 LEU CA C 13 57.661 0.000 . 1 . . . . 434 LEU CA . 16922 1 162 . 1 1 39 39 LEU CB C 13 40.775 0.000 . 1 . . . . 434 LEU CB . 16922 1 163 . 1 1 39 39 LEU N N 15 119.341 0.000 . 1 . . . . 434 LEU N . 16922 1 164 . 1 1 40 40 GLY H H 1 8.277 0.000 . 1 . . . . 435 GLY H . 16922 1 165 . 1 1 40 40 GLY C C 13 174.637 0.000 . 1 . . . . 435 GLY C . 16922 1 166 . 1 1 40 40 GLY CA C 13 47.486 0.000 . 1 . . . . 435 GLY CA . 16922 1 167 . 1 1 40 40 GLY N N 15 107.133 0.000 . 1 . . . . 435 GLY N . 16922 1 168 . 1 1 41 41 VAL H H 1 8.066 0.000 . 1 . . . . 436 VAL H . 16922 1 169 . 1 1 41 41 VAL C C 13 175.333 0.000 . 1 . . . . 436 VAL C . 16922 1 170 . 1 1 41 41 VAL CA C 13 66.528 0.000 . 1 . . . . 436 VAL CA . 16922 1 171 . 1 1 41 41 VAL CB C 13 30.841 0.000 . 1 . . . . 436 VAL CB . 16922 1 172 . 1 1 41 41 VAL N N 15 120.586 0.000 . 1 . . . . 436 VAL N . 16922 1 173 . 1 1 42 42 VAL H H 1 7.641 0.000 . 1 . . . . 437 VAL H . 16922 1 174 . 1 1 42 42 VAL CA C 13 66.263 0.000 . 1 . . . . 437 VAL CA . 16922 1 175 . 1 1 42 42 VAL CB C 13 30.967 0.000 . 1 . . . . 437 VAL CB . 16922 1 176 . 1 1 42 42 VAL N N 15 119.807 0.000 . 1 . . . . 437 VAL N . 16922 1 177 . 1 1 43 43 VAL H H 1 8.248 0.000 . 1 . . . . 438 VAL H . 16922 1 178 . 1 1 43 43 VAL C C 13 179.941 0.000 . 1 . . . . 438 VAL C . 16922 1 179 . 1 1 43 43 VAL CA C 13 66.910 0.000 . 1 . . . . 438 VAL CA . 16922 1 180 . 1 1 43 43 VAL CB C 13 30.904 0.000 . 1 . . . . 438 VAL CB . 16922 1 181 . 1 1 43 43 VAL N N 15 119.419 0.000 . 1 . . . . 438 VAL N . 16922 1 182 . 1 1 44 44 VAL H H 1 8.277 0.000 . 1 . . . . 439 VAL H . 16922 1 183 . 1 1 44 44 VAL CA C 13 66.982 0.000 . 1 . . . . 439 VAL CA . 16922 1 184 . 1 1 44 44 VAL CB C 13 30.800 0.000 . 1 . . . . 439 VAL CB . 16922 1 185 . 1 1 44 44 VAL N N 15 119.457 0.000 . 1 . . . . 439 VAL N . 16922 1 186 . 1 1 45 45 ALA H H 1 8.004 0.000 . 1 . . . . 440 ALA H . 16922 1 187 . 1 1 45 45 ALA CA C 13 55.007 0.000 . 1 . . . . 440 ALA CA . 16922 1 188 . 1 1 45 45 ALA CB C 13 17.616 0.000 . 1 . . . . 440 ALA CB . 16922 1 189 . 1 1 45 45 ALA N N 15 121.494 0.000 . 1 . . . . 440 ALA N . 16922 1 190 . 1 1 46 46 LEU H H 1 8.150 0.000 . 1 . . . . 441 LEU H . 16922 1 191 . 1 1 46 46 LEU C C 13 178.707 0.000 . 1 . . . . 441 LEU C . 16922 1 192 . 1 1 46 46 LEU CA C 13 57.336 0.000 . 1 . . . . 441 LEU CA . 16922 1 193 . 1 1 46 46 LEU CB C 13 41.281 0.000 . 1 . . . . 441 LEU CB . 16922 1 194 . 1 1 46 46 LEU N N 15 118.803 0.000 . 1 . . . . 441 LEU N . 16922 1 195 . 1 1 47 47 PHE H H 1 8.168 0.000 . 1 . . . . 442 PHE H . 16922 1 196 . 1 1 47 47 PHE C C 13 176.788 0.000 . 1 . . . . 442 PHE C . 16922 1 197 . 1 1 47 47 PHE CA C 13 60.128 0.000 . 1 . . . . 442 PHE CA . 16922 1 198 . 1 1 47 47 PHE CB C 13 39.067 0.000 . 1 . . . . 442 PHE CB . 16922 1 199 . 1 1 47 47 PHE N N 15 117.301 0.000 . 1 . . . . 442 PHE N . 16922 1 200 . 1 1 48 48 TYR H H 1 8.513 0.000 . 1 . . . . 443 TYR H . 16922 1 201 . 1 1 48 48 TYR C C 13 177.097 0.000 . 1 . . . . 443 TYR C . 16922 1 202 . 1 1 48 48 TYR CA C 13 60.501 0.000 . 1 . . . . 443 TYR CA . 16922 1 203 . 1 1 48 48 TYR CB C 13 37.864 0.000 . 1 . . . . 443 TYR CB . 16922 1 204 . 1 1 48 48 TYR N N 15 119.591 0.000 . 1 . . . . 443 TYR N . 16922 1 205 . 1 1 49 49 GLY H H 1 8.077 0.000 . 1 . . . . 444 GLY H . 16922 1 206 . 1 1 49 49 GLY CA C 13 45.865 0.000 . 1 . . . . 444 GLY CA . 16922 1 207 . 1 1 49 49 GLY N N 15 106.612 0.000 . 1 . . . . 444 GLY N . 16922 1 208 . 1 1 50 50 ARG H H 1 7.714 0.000 . 1 . . . . 445 ARG H . 16922 1 209 . 1 1 50 50 ARG C C 13 176.970 0.000 . 1 . . . . 445 ARG C . 16922 1 210 . 1 1 50 50 ARG CA C 13 55.490 0.000 . 1 . . . . 445 ARG CA . 16922 1 211 . 1 1 50 50 ARG CB C 13 29.765 0.000 . 1 . . . . 445 ARG CB . 16922 1 212 . 1 1 50 50 ARG N N 15 118.669 0.000 . 1 . . . . 445 ARG N . 16922 1 213 . 1 1 51 51 TRP H H 1 8.014 0.000 . 1 . . . . 446 TRP H . 16922 1 214 . 1 1 51 51 TRP CA C 13 58.333 0.000 . 1 . . . . 446 TRP CA . 16922 1 215 . 1 1 51 51 TRP CB C 13 27.677 0.000 . 1 . . . . 446 TRP CB . 16922 1 216 . 1 1 51 51 TRP N N 15 120.580 0.000 . 1 . . . . 446 TRP N . 16922 1 217 . 1 1 53 53 SER H H 1 8.025 0.000 . 1 . . . . 448 SER H . 16922 1 218 . 1 1 53 53 SER CA C 13 60.875 0.000 . 1 . . . . 448 SER CA . 16922 1 219 . 1 1 53 53 SER CB C 13 62.267 0.000 . 1 . . . . 448 SER CB . 16922 1 220 . 1 1 53 53 SER N N 15 113.877 0.000 . 1 . . . . 448 SER N . 16922 1 221 . 1 1 54 54 VAL H H 1 7.828 0.000 . 1 . . . . 449 VAL H . 16922 1 222 . 1 1 54 54 VAL CA C 13 65.799 0.000 . 1 . . . . 449 VAL CA . 16922 1 223 . 1 1 54 54 VAL CB C 13 30.942 0.000 . 1 . . . . 449 VAL CB . 16922 1 224 . 1 1 54 54 VAL N N 15 123.976 0.000 . 1 . . . . 449 VAL N . 16922 1 225 . 1 1 55 55 VAL H H 1 7.898 0.000 . 1 . . . . 450 VAL H . 16922 1 226 . 1 1 55 55 VAL C C 13 173.938 0.000 . 1 . . . . 450 VAL C . 16922 1 227 . 1 1 55 55 VAL CA C 13 66.940 0.000 . 1 . . . . 450 VAL CA . 16922 1 228 . 1 1 55 55 VAL CB C 13 30.841 0.000 . 1 . . . . 450 VAL CB . 16922 1 229 . 1 1 55 55 VAL N N 15 119.374 0.000 . 1 . . . . 450 VAL N . 16922 1 230 . 1 1 56 56 ALA H H 1 7.882 0.000 . 1 . . . . 451 ALA H . 16922 1 231 . 1 1 56 56 ALA C C 13 179.801 0.000 . 1 . . . . 451 ALA C . 16922 1 232 . 1 1 56 56 ALA CA C 13 55.097 0.000 . 1 . . . . 451 ALA CA . 16922 1 233 . 1 1 56 56 ALA CB C 13 17.806 0.000 . 1 . . . . 451 ALA CB . 16922 1 234 . 1 1 56 56 ALA N N 15 120.028 0.000 . 1 . . . . 451 ALA N . 16922 1 235 . 1 1 57 57 THR H H 1 7.738 0.000 . 1 . . . . 452 THR H . 16922 1 236 . 1 1 57 57 THR CA C 13 66.783 0.000 . 1 . . . . 452 THR CA . 16922 1 237 . 1 1 57 57 THR CB C 13 68.363 0.000 . 1 . . . . 452 THR CB . 16922 1 238 . 1 1 57 57 THR N N 15 114.718 0.000 . 1 . . . . 452 THR N . 16922 1 239 . 1 1 58 58 VAL H H 1 8.085 0.000 . 1 . . . . 453 VAL H . 16922 1 240 . 1 1 58 58 VAL CA C 13 66.822 0.000 . 1 . . . . 453 VAL CA . 16922 1 241 . 1 1 58 58 VAL CB C 13 30.651 0.000 . 1 . . . . 453 VAL CB . 16922 1 242 . 1 1 58 58 VAL N N 15 120.880 0.000 . 1 . . . . 453 VAL N . 16922 1 243 . 1 1 59 59 ILE H H 1 8.278 0.000 . 1 . . . . 454 ILE H . 16922 1 244 . 1 1 59 59 ILE CA C 13 64.762 0.000 . 1 . . . . 454 ILE CA . 16922 1 245 . 1 1 59 59 ILE CB C 13 36.979 0.000 . 1 . . . . 454 ILE CB . 16922 1 246 . 1 1 59 59 ILE N N 15 118.052 0.000 . 1 . . . . 454 ILE N . 16922 1 247 . 1 1 60 60 ASN H H 1 7.933 0.000 . 1 . . . . 455 ASN H . 16922 1 248 . 1 1 60 60 ASN C C 13 177.007 0.000 . 1 . . . . 455 ASN C . 16922 1 249 . 1 1 60 60 ASN CA C 13 55.941 0.000 . 1 . . . . 455 ASN CA . 16922 1 250 . 1 1 60 60 ASN CB C 13 38.624 0.000 . 1 . . . . 455 ASN CB . 16922 1 251 . 1 1 60 60 ASN N N 15 118.984 0.000 . 1 . . . . 455 ASN N . 16922 1 252 . 1 1 61 61 VAL H H 1 8.120 0.000 . 1 . . . . 456 VAL H . 16922 1 253 . 1 1 61 61 VAL C C 13 177.123 0.000 . 1 . . . . 456 VAL C . 16922 1 254 . 1 1 61 61 VAL CA C 13 65.115 0.000 . 1 . . . . 456 VAL CA . 16922 1 255 . 1 1 61 61 VAL CB C 13 31.368 0.000 . 1 . . . . 456 VAL CB . 16922 1 256 . 1 1 61 61 VAL N N 15 118.817 0.000 . 1 . . . . 456 VAL N . 16922 1 257 . 1 1 62 62 VAL H H 1 8.144 0.000 . 1 . . . . 457 VAL H . 16922 1 258 . 1 1 62 62 VAL CA C 13 64.880 0.000 . 1 . . . . 457 VAL CA . 16922 1 259 . 1 1 62 62 VAL CB C 13 30.904 0.000 . 1 . . . . 457 VAL CB . 16922 1 260 . 1 1 62 62 VAL N N 15 118.112 0.000 . 1 . . . . 457 VAL N . 16922 1 261 . 1 1 63 63 SER H H 1 7.977 0.000 . 1 . . . . 458 SER H . 16922 1 262 . 1 1 63 63 SER CA C 13 60.141 0.000 . 1 . . . . 458 SER CA . 16922 1 263 . 1 1 63 63 SER CB C 13 63.175 0.000 . 1 . . . . 458 SER CB . 16922 1 264 . 1 1 63 63 SER N N 15 115.018 0.000 . 1 . . . . 458 SER N . 16922 1 265 . 1 1 64 64 PHE H H 1 7.985 0.000 . 1 . . . . 459 PHE H . 16922 1 266 . 1 1 64 64 PHE C C 13 176.376 0.000 . 1 . . . . 459 PHE C . 16922 1 267 . 1 1 64 64 PHE CA C 13 59.493 0.000 . 1 . . . . 459 PHE CA . 16922 1 268 . 1 1 64 64 PHE CB C 13 38.814 0.000 . 1 . . . . 459 PHE CB . 16922 1 269 . 1 1 64 64 PHE N N 15 120.886 0.000 . 1 . . . . 459 PHE N . 16922 1 270 . 1 1 65 65 ASP H H 1 8.307 0.000 . 1 . . . . 460 ASP H . 16922 1 271 . 1 1 65 65 ASP C C 13 176.479 0.000 . 1 . . . . 460 ASP C . 16922 1 272 . 1 1 65 65 ASP CA C 13 54.931 0.000 . 1 . . . . 460 ASP CA . 16922 1 273 . 1 1 65 65 ASP CB C 13 38.497 0.000 . 1 . . . . 460 ASP CB . 16922 1 274 . 1 1 65 65 ASP N N 15 118.253 0.000 . 1 . . . . 460 ASP N . 16922 1 275 . 1 1 66 66 LEU H H 1 8.019 0.000 . 1 . . . . 461 LEU H . 16922 1 276 . 1 1 66 66 LEU C C 13 177.071 0.000 . 1 . . . . 461 LEU C . 16922 1 277 . 1 1 66 66 LEU CA C 13 56.655 0.000 . 1 . . . . 461 LEU CA . 16922 1 278 . 1 1 66 66 LEU CB C 13 41.091 0.000 . 1 . . . . 461 LEU CB . 16922 1 279 . 1 1 66 66 LEU N N 15 120.290 0.000 . 1 . . . . 461 LEU N . 16922 1 280 . 1 1 67 67 PHE H H 1 7.693 0.000 . 1 . . . . 462 PHE H . 16922 1 281 . 1 1 67 67 PHE CA C 13 59.052 0.000 . 1 . . . . 462 PHE CA . 16922 1 282 . 1 1 67 67 PHE CB C 13 38.118 0.000 . 1 . . . . 462 PHE CB . 16922 1 283 . 1 1 67 67 PHE N N 15 116.091 0.000 . 1 . . . . 462 PHE N . 16922 1 284 . 1 1 68 68 PHE H H 1 7.560 0.000 . 1 . . . . 463 PHE H . 16922 1 285 . 1 1 68 68 PHE CA C 13 58.610 0.000 . 1 . . . . 463 PHE CA . 16922 1 286 . 1 1 68 68 PHE CB C 13 38.624 0.000 . 1 . . . . 463 PHE CB . 16922 1 287 . 1 1 68 68 PHE N N 15 117.062 0.000 . 1 . . . . 463 PHE N . 16922 1 288 . 1 1 69 69 ILE H H 1 7.438 0.000 . 1 . . . . 464 ILE H . 16922 1 289 . 1 1 69 69 ILE C C 13 174.791 0.000 . 1 . . . . 464 ILE C . 16922 1 290 . 1 1 69 69 ILE CA C 13 61.081 0.000 . 1 . . . . 464 ILE CA . 16922 1 291 . 1 1 69 69 ILE CB C 13 38.244 0.000 . 1 . . . . 464 ILE CB . 16922 1 292 . 1 1 69 69 ILE N N 15 116.947 0.000 . 1 . . . . 464 ILE N . 16922 1 293 . 1 1 70 70 ALA H H 1 7.791 0.000 . 1 . . . . 465 ALA H . 16922 1 294 . 1 1 70 70 ALA CA C 13 50.957 0.000 . 1 . . . . 465 ALA CA . 16922 1 295 . 1 1 70 70 ALA CB C 13 17.490 0.000 . 1 . . . . 465 ALA CB . 16922 1 296 . 1 1 70 70 ALA N N 15 124.649 0.000 . 1 . . . . 465 ALA N . 16922 1 297 . 1 1 72 72 ARG H H 1 8.217 0.000 . 1 . . . . 467 ARG H . 16922 1 298 . 1 1 72 72 ARG C C 13 176.698 0.000 . 1 . . . . 467 ARG C . 16922 1 299 . 1 1 72 72 ARG CA C 13 56.077 0.000 . 1 . . . . 467 ARG CA . 16922 1 300 . 1 1 72 72 ARG CB C 13 29.765 0.000 . 1 . . . . 467 ARG CB . 16922 1 301 . 1 1 72 72 ARG N N 15 119.724 0.000 . 1 . . . . 467 ARG N . 16922 1 302 . 1 1 73 73 GLY H H 1 8.286 0.000 . 1 . . . . 468 GLY H . 16922 1 303 . 1 1 73 73 GLY C C 13 173.748 0.000 . 1 . . . . 468 GLY C . 16922 1 304 . 1 1 73 73 GLY CA C 13 45.461 0.000 . 1 . . . . 468 GLY CA . 16922 1 305 . 1 1 73 73 GLY N N 15 109.340 0.000 . 1 . . . . 468 GLY N . 16922 1 306 . 1 1 74 74 THR H H 1 7.864 0.000 . 1 . . . . 469 THR H . 16922 1 307 . 1 1 74 74 THR C C 13 174.423 0.000 . 1 . . . . 469 THR C . 16922 1 308 . 1 1 74 74 THR CA C 13 62.238 0.000 . 1 . . . . 469 THR CA . 16922 1 309 . 1 1 74 74 THR CB C 13 69.502 0.000 . 1 . . . . 469 THR CB . 16922 1 310 . 1 1 74 74 THR N N 15 113.543 0.000 . 1 . . . . 469 THR N . 16922 1 311 . 1 1 75 75 LEU H H 1 7.988 0.000 . 1 . . . . 470 LEU H . 16922 1 312 . 1 1 75 75 LEU C C 13 175.915 0.000 . 1 . . . . 470 LEU C . 16922 1 313 . 1 1 75 75 LEU CA C 13 54.804 0.000 . 1 . . . . 470 LEU CA . 16922 1 314 . 1 1 75 75 LEU CB C 13 42.420 0.000 . 1 . . . . 470 LEU CB . 16922 1 315 . 1 1 75 75 LEU N N 15 123.822 0.000 . 1 . . . . 470 LEU N . 16922 1 316 . 1 1 76 76 ALA H H 1 8.409 0.000 . 1 . . . . 471 ALA H . 16922 1 317 . 1 1 76 76 ALA C C 13 178.179 0.000 . 1 . . . . 471 ALA C . 16922 1 318 . 1 1 76 76 ALA CA C 13 51.252 0.000 . 1 . . . . 471 ALA CA . 16922 1 319 . 1 1 76 76 ALA CB C 13 19.578 0.000 . 1 . . . . 471 ALA CB . 16922 1 320 . 1 1 76 76 ALA N N 15 125.300 0.000 . 1 . . . . 471 ALA N . 16922 1 321 . 1 1 77 77 VAL H H 1 8.459 0.000 . 1 . . . . 472 VAL H . 16922 1 322 . 1 1 77 77 VAL CA C 13 65.439 0.000 . 1 . . . . 472 VAL CA . 16922 1 323 . 1 1 77 77 VAL CB C 13 30.967 0.000 . 1 . . . . 472 VAL CB . 16922 1 324 . 1 1 77 77 VAL N N 15 120.745 0.000 . 1 . . . . 472 VAL N . 16922 1 325 . 1 1 78 78 SER H H 1 8.219 0.000 . 1 . . . . 473 SER H . 16922 1 326 . 1 1 78 78 SER CA C 13 60.376 0.000 . 1 . . . . 473 SER CA . 16922 1 327 . 1 1 78 78 SER CB C 13 62.162 0.000 . 1 . . . . 473 SER CB . 16922 1 328 . 1 1 78 78 SER N N 15 114.751 0.000 . 1 . . . . 473 SER N . 16922 1 329 . 1 1 79 79 ASP H H 1 7.777 0.000 . 1 . . . . 474 ASP H . 16922 1 330 . 1 1 79 79 ASP CA C 13 56.006 0.000 . 1 . . . . 474 ASP CA . 16922 1 331 . 1 1 79 79 ASP CB C 13 39.826 0.000 . 1 . . . . 474 ASP CB . 16922 1 332 . 1 1 79 79 ASP N N 15 121.536 0.000 . 1 . . . . 474 ASP N . 16922 1 333 . 1 1 80 80 VAL H H 1 7.890 0.000 . 1 . . . . 475 VAL H . 16922 1 334 . 1 1 80 80 VAL CA C 13 65.851 0.000 . 1 . . . . 475 VAL CA . 16922 1 335 . 1 1 80 80 VAL CB C 13 30.942 0.000 . 1 . . . . 475 VAL CB . 16922 1 336 . 1 1 80 80 VAL N N 15 119.318 0.000 . 1 . . . . 475 VAL N . 16922 1 337 . 1 1 81 81 GLN H H 1 8.361 0.000 . 1 . . . . 476 GLN H . 16922 1 338 . 1 1 81 81 GLN C C 13 178.127 0.000 . 1 . . . . 476 GLN C . 16922 1 339 . 1 1 81 81 GLN CA C 13 59.611 0.000 . 1 . . . . 476 GLN CA . 16922 1 340 . 1 1 81 81 GLN CB C 13 27.551 0.000 . 1 . . . . 476 GLN CB . 16922 1 341 . 1 1 81 81 GLN N N 15 119.415 0.000 . 1 . . . . 476 GLN N . 16922 1 342 . 1 1 82 82 TYR H H 1 7.952 0.000 . 1 . . . . 477 TYR H . 16922 1 343 . 1 1 82 82 TYR CA C 13 60.850 0.000 . 1 . . . . 477 TYR CA . 16922 1 344 . 1 1 82 82 TYR CB C 13 37.422 0.000 . 1 . . . . 477 TYR CB . 16922 1 345 . 1 1 82 82 TYR N N 15 120.512 0.000 . 1 . . . . 477 TYR N . 16922 1 346 . 1 1 83 83 LEU H H 1 7.922 0.000 . 1 . . . . 478 LEU H . 16922 1 347 . 1 1 83 83 LEU CA C 13 57.668 0.000 . 1 . . . . 478 LEU CA . 16922 1 348 . 1 1 83 83 LEU CB C 13 41.281 0.000 . 1 . . . . 478 LEU CB . 16922 1 349 . 1 1 83 83 LEU N N 15 120.045 0.000 . 1 . . . . 478 LEU N . 16922 1 350 . 1 1 84 84 LEU H H 1 8.245 0.000 . 1 . . . . 479 LEU H . 16922 1 351 . 1 1 84 84 LEU C C 13 174.860 0.000 . 1 . . . . 479 LEU C . 16922 1 352 . 1 1 84 84 LEU CA C 13 57.581 0.000 . 1 . . . . 479 LEU CA . 16922 1 353 . 1 1 84 84 LEU CB C 13 40.965 0.000 . 1 . . . . 479 LEU CB . 16922 1 354 . 1 1 84 84 LEU N N 15 117.967 0.000 . 1 . . . . 479 LEU N . 16922 1 355 . 1 1 85 85 THR H H 1 7.939 0.000 . 1 . . . . 480 THR H . 16922 1 356 . 1 1 85 85 THR CA C 13 66.458 0.000 . 1 . . . . 480 THR CA . 16922 1 357 . 1 1 85 85 THR CB C 13 68.300 0.000 . 1 . . . . 480 THR CB . 16922 1 358 . 1 1 85 85 THR N N 15 114.231 0.000 . 1 . . . . 480 THR N . 16922 1 359 . 1 1 86 86 PHE H H 1 8.113 0.000 . 1 . . . . 481 PHE H . 16922 1 360 . 1 1 86 86 PHE C C 13 177.032 0.000 . 1 . . . . 481 PHE C . 16922 1 361 . 1 1 86 86 PHE CA C 13 60.671 0.000 . 1 . . . . 481 PHE CA . 16922 1 362 . 1 1 86 86 PHE CB C 13 38.371 0.000 . 1 . . . . 481 PHE CB . 16922 1 363 . 1 1 86 86 PHE N N 15 122.401 0.000 . 1 . . . . 481 PHE N . 16922 1 364 . 1 1 87 87 ALA H H 1 8.396 0.000 . 1 . . . . 482 ALA H . 16922 1 365 . 1 1 87 87 ALA C C 13 179.982 0.000 . 1 . . . . 482 ALA C . 16922 1 366 . 1 1 87 87 ALA CA C 13 55.196 0.000 . 1 . . . . 482 ALA CA . 16922 1 367 . 1 1 87 87 ALA CB C 13 17.553 0.000 . 1 . . . . 482 ALA CB . 16922 1 368 . 1 1 87 87 ALA N N 15 121.058 0.000 . 1 . . . . 482 ALA N . 16922 1 369 . 1 1 88 88 VAL H H 1 8.287 0.000 . 1 . . . . 483 VAL H . 16922 1 370 . 1 1 88 88 VAL CA C 13 66.763 0.000 . 1 . . . . 483 VAL CA . 16922 1 371 . 1 1 88 88 VAL CB C 13 30.651 0.000 . 1 . . . . 483 VAL CB . 16922 1 372 . 1 1 88 88 VAL N N 15 119.071 0.000 . 1 . . . . 483 VAL N . 16922 1 373 . 1 1 89 89 MET H H 1 8.131 0.000 . 1 . . . . 484 MET H . 16922 1 374 . 1 1 89 89 MET C C 13 177.831 0.000 . 1 . . . . 484 MET C . 16922 1 375 . 1 1 89 89 MET CA C 13 58.316 0.000 . 1 . . . . 484 MET CA . 16922 1 376 . 1 1 89 89 MET CB C 13 30.841 0.000 . 1 . . . . 484 MET CB . 16922 1 377 . 1 1 89 89 MET N N 15 118.956 0.000 . 1 . . . . 484 MET N . 16922 1 378 . 1 1 90 90 LEU H H 1 8.220 0.000 . 1 . . . . 485 LEU H . 16922 1 379 . 1 1 90 90 LEU C C 13 177.455 0.000 . 1 . . . . 485 LEU C . 16922 1 380 . 1 1 90 90 LEU CA C 13 57.462 0.000 . 1 . . . . 485 LEU CA . 16922 1 381 . 1 1 90 90 LEU CB C 13 41.534 0.000 . 1 . . . . 485 LEU CB . 16922 1 382 . 1 1 90 90 LEU N N 15 120.663 0.000 . 1 . . . . 485 LEU N . 16922 1 383 . 1 1 91 91 THR H H 1 7.750 0.000 . 1 . . . . 486 THR H . 16922 1 384 . 1 1 91 91 THR C C 13 176.092 0.000 . 1 . . . . 486 THR C . 16922 1 385 . 1 1 91 91 THR CA C 13 66.910 0.000 . 1 . . . . 486 THR CA . 16922 1 386 . 1 1 91 91 THR CB C 13 68.110 0.000 . 1 . . . . 486 THR CB . 16922 1 387 . 1 1 91 91 THR N N 15 115.074 0.000 . 1 . . . . 486 THR N . 16922 1 388 . 1 1 92 92 VAL H H 1 8.504 0.000 . 1 . . . . 487 VAL H . 16922 1 389 . 1 1 92 92 VAL C C 13 177.599 0.000 . 1 . . . . 487 VAL C . 16922 1 390 . 1 1 92 92 VAL CA C 13 66.718 0.000 . 1 . . . . 487 VAL CA . 16922 1 391 . 1 1 92 92 VAL CB C 13 30.778 0.000 . 1 . . . . 487 VAL CB . 16922 1 392 . 1 1 92 92 VAL N N 15 121.058 0.000 . 1 . . . . 487 VAL N . 16922 1 393 . 1 1 93 93 GLY H H 1 8.060 0.000 . 1 . . . . 488 GLY H . 16922 1 394 . 1 1 93 93 GLY CA C 13 46.994 0.000 . 1 . . . . 488 GLY CA . 16922 1 395 . 1 1 93 93 GLY N N 15 106.382 0.000 . 1 . . . . 488 GLY N . 16922 1 396 . 1 1 94 94 LEU H H 1 7.924 0.000 . 1 . . . . 489 LEU H . 16922 1 397 . 1 1 94 94 LEU C C 13 178.732 0.000 . 1 . . . . 489 LEU C . 16922 1 398 . 1 1 94 94 LEU CA C 13 57.207 0.000 . 1 . . . . 489 LEU CA . 16922 1 399 . 1 1 94 94 LEU CB C 13 41.598 0.000 . 1 . . . . 489 LEU CB . 16922 1 400 . 1 1 94 94 LEU N N 15 122.341 0.000 . 1 . . . . 489 LEU N . 16922 1 401 . 1 1 95 95 VAL H H 1 8.041 0.000 . 1 . . . . 490 VAL H . 16922 1 402 . 1 1 95 95 VAL C C 13 177.470 0.000 . 1 . . . . 490 VAL C . 16922 1 403 . 1 1 95 95 VAL CA C 13 65.851 0.000 . 1 . . . . 490 VAL CA . 16922 1 404 . 1 1 95 95 VAL CB C 13 31.474 0.000 . 1 . . . . 490 VAL CB . 16922 1 405 . 1 1 95 95 VAL N N 15 118.940 0.000 . 1 . . . . 490 VAL N . 16922 1 406 . 1 1 96 96 ILE H H 1 8.451 0.000 . 1 . . . . 491 ILE H . 16922 1 407 . 1 1 96 96 ILE C C 13 178.359 0.000 . 1 . . . . 491 ILE C . 16922 1 408 . 1 1 96 96 ILE CA C 13 63.849 0.000 . 1 . . . . 491 ILE CA . 16922 1 409 . 1 1 96 96 ILE CB C 13 36.725 0.000 . 1 . . . . 491 ILE CB . 16922 1 410 . 1 1 96 96 ILE N N 15 118.702 0.000 . 1 . . . . 491 ILE N . 16922 1 411 . 1 1 97 97 GLY H H 1 8.224 0.000 . 1 . . . . 492 GLY H . 16922 1 412 . 1 1 97 97 GLY CA C 13 46.407 0.000 . 1 . . . . 492 GLY CA . 16922 1 413 . 1 1 97 97 GLY N N 15 108.749 0.000 . 1 . . . . 492 GLY N . 16922 1 414 . 1 1 98 98 ASN H H 1 7.846 0.000 . 1 . . . . 493 ASN H . 16922 1 415 . 1 1 98 98 ASN C C 13 176.234 0.000 . 1 . . . . 493 ASN C . 16922 1 416 . 1 1 98 98 ASN CA C 13 54.934 0.000 . 1 . . . . 493 ASN CA . 16922 1 417 . 1 1 98 98 ASN CB C 13 39.383 0.000 . 1 . . . . 493 ASN CB . 16922 1 418 . 1 1 98 98 ASN N N 15 118.488 0.000 . 1 . . . . 493 ASN N . 16922 1 419 . 1 1 99 99 LEU H H 1 8.103 0.000 . 1 . . . . 494 LEU H . 16922 1 420 . 1 1 99 99 LEU CA C 13 56.557 0.000 . 1 . . . . 494 LEU CA . 16922 1 421 . 1 1 99 99 LEU CB C 13 41.724 0.000 . 1 . . . . 494 LEU CB . 16922 1 422 . 1 1 99 99 LEU N N 15 120.278 0.000 . 1 . . . . 494 LEU N . 16922 1 423 . 1 1 100 100 THR H H 1 7.881 0.000 . 1 . . . . 495 THR H . 16922 1 424 . 1 1 100 100 THR C C 13 174.779 0.000 . 1 . . . . 495 THR C . 16922 1 425 . 1 1 100 100 THR CA C 13 62.412 0.000 . 1 . . . . 495 THR CA . 16922 1 426 . 1 1 100 100 THR CB C 13 69.249 0.000 . 1 . . . . 495 THR CB . 16922 1 427 . 1 1 100 100 THR N N 15 110.124 0.000 . 1 . . . . 495 THR N . 16922 1 428 . 1 1 101 101 ALA H H 1 7.812 0.000 . 1 . . . . 496 ALA H . 16922 1 429 . 1 1 101 101 ALA C C 13 178.217 0.000 . 1 . . . . 496 ALA C . 16922 1 430 . 1 1 101 101 ALA CA C 13 53.240 0.000 . 1 . . . . 496 ALA CA . 16922 1 431 . 1 1 101 101 ALA CB C 13 18.376 0.000 . 1 . . . . 496 ALA CB . 16922 1 432 . 1 1 101 101 ALA N N 15 124.945 0.000 . 1 . . . . 496 ALA N . 16922 1 433 . 1 1 102 102 GLY H H 1 8.159 0.000 . 1 . . . . 497 GLY H . 16922 1 434 . 1 1 102 102 GLY C C 13 174.070 0.000 . 1 . . . . 497 GLY C . 16922 1 435 . 1 1 102 102 GLY CA C 13 45.453 0.000 . 1 . . . . 497 GLY CA . 16922 1 436 . 1 1 102 102 GLY N N 15 106.755 0.000 . 1 . . . . 497 GLY N . 16922 1 437 . 1 1 103 103 VAL H H 1 7.752 0.000 . 1 . . . . 498 VAL H . 16922 1 438 . 1 1 103 103 VAL C C 13 175.641 0.000 . 1 . . . . 498 VAL C . 16922 1 439 . 1 1 103 103 VAL CA C 13 62.407 0.000 . 1 . . . . 498 VAL CA . 16922 1 440 . 1 1 103 103 VAL CB C 13 31.727 0.000 . 1 . . . . 498 VAL CB . 16922 1 441 . 1 1 103 103 VAL N N 15 118.863 0.000 . 1 . . . . 498 VAL N . 16922 1 442 . 1 1 104 104 ARG H H 1 8.068 0.000 . 1 . . . . 499 ARG H . 16922 1 443 . 1 1 104 104 ARG C C 13 175.448 0.000 . 1 . . . . 499 ARG C . 16922 1 444 . 1 1 104 104 ARG CA C 13 55.701 0.000 . 1 . . . . 499 ARG CA . 16922 1 445 . 1 1 104 104 ARG CB C 13 30.208 0.000 . 1 . . . . 499 ARG CB . 16922 1 446 . 1 1 104 104 ARG N N 15 123.255 0.000 . 1 . . . . 499 ARG N . 16922 1 447 . 1 1 105 105 TYR H H 1 8.001 0.000 . 1 . . . . 500 TYR H . 16922 1 448 . 1 1 105 105 TYR C C 13 174.946 0.000 . 1 . . . . 500 TYR C . 16922 1 449 . 1 1 105 105 TYR CA C 13 57.697 0.000 . 1 . . . . 500 TYR CA . 16922 1 450 . 1 1 105 105 TYR CB C 13 38.371 0.000 . 1 . . . . 500 TYR CB . 16922 1 451 . 1 1 105 105 TYR N N 15 121.362 0.000 . 1 . . . . 500 TYR N . 16922 1 452 . 1 1 106 106 GLN H H 1 7.993 0.000 . 1 . . . . 501 GLN H . 16922 1 453 . 1 1 106 106 GLN C C 13 173.877 0.000 . 1 . . . . 501 GLN C . 16922 1 454 . 1 1 106 106 GLN CA C 13 55.209 0.000 . 1 . . . . 501 GLN CA . 16922 1 455 . 1 1 106 106 GLN CB C 13 29.259 0.000 . 1 . . . . 501 GLN CB . 16922 1 456 . 1 1 106 106 GLN N N 15 123.166 0.000 . 1 . . . . 501 GLN N . 16922 1 457 . 1 1 107 107 ALA H H 1 7.868 0.000 . 1 . . . . 502 ALA H . 16922 1 458 . 1 1 107 107 ALA C C 13 182.427 0.000 . 1 . . . . 502 ALA C . 16922 1 459 . 1 1 107 107 ALA CA C 13 53.457 0.000 . 1 . . . . 502 ALA CA . 16922 1 460 . 1 1 107 107 ALA CB C 13 19.388 0.000 . 1 . . . . 502 ALA CB . 16922 1 461 . 1 1 107 107 ALA N N 15 131.646 0.000 . 1 . . . . 502 ALA N . 16922 1 stop_ save_