################################### # 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 30008 _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 $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' . . . 30008 1 2 '3D HNCO' . . . 30008 1 3 '3D HNCA' . . . 30008 1 4 '3D HNCACB' . . . 30008 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 . . 30008 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 10 10 ARG C C 13 175.936 0.000 . . . . 1 A 387 ARG C . 30008 1 2 . 1 1 11 11 LYS N N 15 123.895 0.074 . . . . 1 A 388 LYS N . 30008 1 3 . 1 1 11 11 LYS H H 1 8.204 0.001 . . . . 1 A 388 LYS H . 30008 1 4 . 1 1 11 11 LYS CA C 13 55.697 0.031 . . . . 1 A 388 LYS CA . 30008 1 5 . 1 1 11 11 LYS CB C 13 31.963 0.021 . . . . 1 A 388 LYS CB . 30008 1 6 . 1 1 11 11 LYS C C 13 176.008 0.000 . . . . 1 A 388 LYS C . 30008 1 7 . 1 1 12 12 ILE N N 15 124.580 0.012 . . . . 1 A 389 ILE N . 30008 1 8 . 1 1 12 12 ILE H H 1 8.078 0.002 . . . . 1 A 389 ILE H . 30008 1 9 . 1 1 12 12 ILE CA C 13 60.093 0.002 . . . . 1 A 389 ILE CA . 30008 1 10 . 1 1 12 12 ILE CB C 13 37.828 0.004 . . . . 1 A 389 ILE CB . 30008 1 11 . 1 1 12 12 ILE C C 13 175.804 0.000 . . . . 1 A 389 ILE C . 30008 1 12 . 1 1 13 13 VAL N N 15 127.022 0.014 . . . . 1 A 390 VAL N . 30008 1 13 . 1 1 13 13 VAL H H 1 8.304 0.004 . . . . 1 A 390 VAL H . 30008 1 14 . 1 1 13 13 VAL CA C 13 61.281 0.005 . . . . 1 A 390 VAL CA . 30008 1 15 . 1 1 13 13 VAL CB C 13 31.862 0.011 . . . . 1 A 390 VAL CB . 30008 1 16 . 1 1 13 13 VAL C C 13 174.167 0.000 . . . . 1 A 390 VAL C . 30008 1 17 . 1 1 14 14 LYS N N 15 125.508 0.010 . . . . 1 A 391 LYS N . 30008 1 18 . 1 1 14 14 LYS H H 1 8.005 0.004 . . . . 1 A 391 LYS H . 30008 1 19 . 1 1 14 14 LYS CA C 13 54.411 0.000 . . . . 1 A 391 LYS CA . 30008 1 20 . 1 1 14 14 LYS CB C 13 34.412 0.003 . . . . 1 A 391 LYS CB . 30008 1 21 . 1 1 14 14 LYS C C 13 174.483 0.000 . . . . 1 A 391 LYS C . 30008 1 22 . 1 1 15 15 CYS N N 15 127.664 0.043 . . . . 1 A 392 CYS N . 30008 1 23 . 1 1 15 15 CYS H H 1 8.131 0.001 . . . . 1 A 392 CYS H . 30008 1 24 . 1 1 15 15 CYS CA C 13 58.892 0.043 . . . . 1 A 392 CYS CA . 30008 1 25 . 1 1 15 15 CYS CB C 13 29.471 0.012 . . . . 1 A 392 CYS CB . 30008 1 26 . 1 1 15 15 CYS C C 13 178.389 0.000 . . . . 1 A 392 CYS C . 30008 1 27 . 1 1 16 16 PHE N N 15 128.792 0.032 . . . . 1 A 393 PHE N . 30008 1 28 . 1 1 16 16 PHE H H 1 8.464 0.002 . . . . 1 A 393 PHE H . 30008 1 29 . 1 1 16 16 PHE CA C 13 58.695 0.010 . . . . 1 A 393 PHE CA . 30008 1 30 . 1 1 16 16 PHE CB C 13 37.969 0.010 . . . . 1 A 393 PHE CB . 30008 1 31 . 1 1 16 16 PHE C C 13 175.741 0.000 . . . . 1 A 393 PHE C . 30008 1 32 . 1 1 17 17 ASN N N 15 122.242 0.026 . . . . 1 A 394 ASN N . 30008 1 33 . 1 1 17 17 ASN H H 1 9.460 0.001 . . . . 1 A 394 ASN H . 30008 1 34 . 1 1 17 17 ASN CA C 13 56.361 0.000 . . . . 1 A 394 ASN CA . 30008 1 35 . 1 1 17 17 ASN CB C 13 39.567 0.001 . . . . 1 A 394 ASN CB . 30008 1 36 . 1 1 17 17 ASN C C 13 175.460 0.000 . . . . 1 A 394 ASN C . 30008 1 37 . 1 1 18 18 CYS N N 15 117.913 0.018 . . . . 1 A 395 CYS N . 30008 1 38 . 1 1 18 18 CYS H H 1 8.822 0.001 . . . . 1 A 395 CYS H . 30008 1 39 . 1 1 18 18 CYS CA C 13 58.266 0.013 . . . . 1 A 395 CYS CA . 30008 1 40 . 1 1 18 18 CYS CB C 13 31.683 0.002 . . . . 1 A 395 CYS CB . 30008 1 41 . 1 1 18 18 CYS C C 13 176.419 0.000 . . . . 1 A 395 CYS C . 30008 1 42 . 1 1 19 19 GLY N N 15 113.818 0.032 . . . . 1 A 396 GLY N . 30008 1 43 . 1 1 19 19 GLY H H 1 7.758 0.002 . . . . 1 A 396 GLY H . 30008 1 44 . 1 1 19 19 GLY CA C 13 45.803 0.004 . . . . 1 A 396 GLY CA . 30008 1 45 . 1 1 19 19 GLY C C 13 173.785 0.000 . . . . 1 A 396 GLY C . 30008 1 46 . 1 1 20 20 LYS N N 15 121.468 0.029 . . . . 1 A 397 LYS N . 30008 1 47 . 1 1 20 20 LYS H H 1 8.021 0.002 . . . . 1 A 397 LYS H . 30008 1 48 . 1 1 20 20 LYS CA C 13 55.629 0.005 . . . . 1 A 397 LYS CA . 30008 1 49 . 1 1 20 20 LYS CB C 13 32.891 0.003 . . . . 1 A 397 LYS CB . 30008 1 50 . 1 1 20 20 LYS C C 13 175.673 0.000 . . . . 1 A 397 LYS C . 30008 1 51 . 1 1 21 21 GLU N N 15 118.462 0.029 . . . . 1 A 398 GLU N . 30008 1 52 . 1 1 21 21 GLU H H 1 8.247 0.001 . . . . 1 A 398 GLU H . 30008 1 53 . 1 1 21 21 GLU CA C 13 55.521 0.017 . . . . 1 A 398 GLU CA . 30008 1 54 . 1 1 21 21 GLU CB C 13 30.157 0.009 . . . . 1 A 398 GLU CB . 30008 1 55 . 1 1 21 21 GLU C C 13 178.557 0.000 . . . . 1 A 398 GLU C . 30008 1 56 . 1 1 22 22 GLY N N 15 108.020 0.018 . . . . 1 A 399 GLY N . 30008 1 57 . 1 1 22 22 GLY H H 1 8.608 0.002 . . . . 1 A 399 GLY H . 30008 1 58 . 1 1 22 22 GLY CA C 13 45.243 0.008 . . . . 1 A 399 GLY CA . 30008 1 59 . 1 1 22 22 GLY C C 13 173.736 0.000 . . . . 1 A 399 GLY C . 30008 1 60 . 1 1 23 23 HIS N N 15 114.682 0.054 . . . . 1 A 400 HIS N . 30008 1 61 . 1 1 23 23 HIS H H 1 7.103 0.001 . . . . 1 A 400 HIS H . 30008 1 62 . 1 1 23 23 HIS CA C 13 54.862 0.004 . . . . 1 A 400 HIS CA . 30008 1 63 . 1 1 23 23 HIS CB C 13 29.523 0.000 . . . . 1 A 400 HIS CB . 30008 1 64 . 1 1 24 24 THR N N 15 106.713 0.029 . . . . 1 A 401 THR N . 30008 1 65 . 1 1 24 24 THR H H 1 8.084 0.003 . . . . 1 A 401 THR H . 30008 1 66 . 1 1 24 24 THR CA C 13 58.940 0.004 . . . . 1 A 401 THR CA . 30008 1 67 . 1 1 24 24 THR CB C 13 71.355 0.001 . . . . 1 A 401 THR CB . 30008 1 68 . 1 1 24 24 THR C C 13 176.414 0.000 . . . . 1 A 401 THR C . 30008 1 69 . 1 1 25 25 ALA N N 15 123.372 0.039 . . . . 1 A 402 ALA N . 30008 1 70 . 1 1 25 25 ALA H H 1 8.708 0.001 . . . . 1 A 402 ALA H . 30008 1 71 . 1 1 25 25 ALA CA C 13 55.255 0.024 . . . . 1 A 402 ALA CA . 30008 1 72 . 1 1 25 25 ALA CB C 13 17.871 0.029 . . . . 1 A 402 ALA CB . 30008 1 73 . 1 1 25 25 ALA C C 13 180.069 0.000 . . . . 1 A 402 ALA C . 30008 1 74 . 1 1 26 26 ARG N N 15 117.150 0.008 . . . . 1 A 403 ARG N . 30008 1 75 . 1 1 26 26 ARG H H 1 7.965 0.000 . . . . 1 A 403 ARG H . 30008 1 76 . 1 1 26 26 ARG CA C 13 57.946 0.022 . . . . 1 A 403 ARG CA . 30008 1 77 . 1 1 26 26 ARG CB C 13 28.913 0.020 . . . . 1 A 403 ARG CB . 30008 1 78 . 1 1 26 26 ARG C C 13 176.744 0.000 . . . . 1 A 403 ARG C . 30008 1 79 . 1 1 27 27 ASN N N 15 115.730 0.026 . . . . 1 A 404 ASN N . 30008 1 80 . 1 1 27 27 ASN H H 1 7.762 0.003 . . . . 1 A 404 ASN H . 30008 1 81 . 1 1 27 27 ASN CA C 13 51.774 0.005 . . . . 1 A 404 ASN CA . 30008 1 82 . 1 1 27 27 ASN CB C 13 39.334 0.008 . . . . 1 A 404 ASN CB . 30008 1 83 . 1 1 27 27 ASN C C 13 173.536 0.000 . . . . 1 A 404 ASN C . 30008 1 84 . 1 1 28 28 CYS N N 15 124.065 0.030 . . . . 1 A 405 CYS N . 30008 1 85 . 1 1 28 28 CYS H H 1 7.381 0.002 . . . . 1 A 405 CYS H . 30008 1 86 . 1 1 28 28 CYS CA C 13 61.660 0.000 . . . . 1 A 405 CYS CA . 30008 1 87 . 1 1 28 28 CYS CB C 13 30.172 0.000 . . . . 1 A 405 CYS CB . 30008 1 88 . 1 1 29 29 ARG CA C 13 54.982 0.000 . . . . 1 A 406 ARG CA . 30008 1 89 . 1 1 29 29 ARG CB C 13 29.330 0.000 . . . . 1 A 406 ARG CB . 30008 1 90 . 1 1 29 29 ARG C C 13 175.951 0.000 . . . . 1 A 406 ARG C . 30008 1 91 . 1 1 30 30 ALA N N 15 128.529 0.018 . . . . 1 A 407 ALA N . 30008 1 92 . 1 1 30 30 ALA H H 1 8.636 0.002 . . . . 1 A 407 ALA H . 30008 1 93 . 1 1 30 30 ALA CA C 13 50.593 0.000 . . . . 1 A 407 ALA CA . 30008 1 94 . 1 1 30 30 ALA CB C 13 17.338 0.000 . . . . 1 A 407 ALA CB . 30008 1 95 . 1 1 31 31 PRO CA C 13 62.497 0.000 . . . . 1 A 408 PRO CA . 30008 1 96 . 1 1 31 31 PRO CB C 13 30.980 0.000 . . . . 1 A 408 PRO CB . 30008 1 97 . 1 1 31 31 PRO C C 13 176.984 0.000 . . . . 1 A 408 PRO C . 30008 1 98 . 1 1 32 32 ARG N N 15 123.246 0.001 . . . . 1 A 409 ARG N . 30008 1 99 . 1 1 32 32 ARG H H 1 8.297 0.003 . . . . 1 A 409 ARG H . 30008 1 100 . 1 1 32 32 ARG CA C 13 55.608 0.037 . . . . 1 A 409 ARG CA . 30008 1 101 . 1 1 32 32 ARG CB C 13 29.553 0.002 . . . . 1 A 409 ARG CB . 30008 1 102 . 1 1 32 32 ARG C C 13 176.896 0.000 . . . . 1 A 409 ARG C . 30008 1 103 . 1 1 33 33 LYS N N 15 126.173 0.007 . . . . 1 A 410 LYS N . 30008 1 104 . 1 1 33 33 LYS H H 1 8.493 0.005 . . . . 1 A 410 LYS H . 30008 1 105 . 1 1 33 33 LYS CA C 13 55.851 0.005 . . . . 1 A 410 LYS CA . 30008 1 106 . 1 1 33 33 LYS CB C 13 32.233 0.001 . . . . 1 A 410 LYS CB . 30008 1 107 . 1 1 33 33 LYS C C 13 176.368 0.000 . . . . 1 A 410 LYS C . 30008 1 108 . 1 1 34 34 LYS N N 15 123.326 0.011 . . . . 1 A 411 LYS N . 30008 1 109 . 1 1 34 34 LYS H H 1 8.273 0.006 . . . . 1 A 411 LYS H . 30008 1 110 . 1 1 34 34 LYS CA C 13 55.905 0.026 . . . . 1 A 411 LYS CA . 30008 1 111 . 1 1 34 34 LYS CB C 13 32.365 0.007 . . . . 1 A 411 LYS CB . 30008 1 112 . 1 1 34 34 LYS C C 13 176.484 0.000 . . . . 1 A 411 LYS C . 30008 1 113 . 1 1 35 35 GLY N N 15 109.471 0.011 . . . . 1 A 412 GLY N . 30008 1 114 . 1 1 35 35 GLY H H 1 8.017 0.003 . . . . 1 A 412 GLY H . 30008 1 115 . 1 1 35 35 GLY CA C 13 44.003 0.002 . . . . 1 A 412 GLY CA . 30008 1 116 . 1 1 35 35 GLY C C 13 172.676 0.000 . . . . 1 A 412 GLY C . 30008 1 117 . 1 1 36 36 CYS N N 15 124.748 0.038 . . . . 1 A 413 CYS N . 30008 1 118 . 1 1 36 36 CYS H H 1 8.059 0.003 . . . . 1 A 413 CYS H . 30008 1 119 . 1 1 36 36 CYS CA C 13 59.407 0.021 . . . . 1 A 413 CYS CA . 30008 1 120 . 1 1 36 36 CYS CB C 13 29.757 0.080 . . . . 1 A 413 CYS CB . 30008 1 121 . 1 1 36 36 CYS C C 13 178.691 0.000 . . . . 1 A 413 CYS C . 30008 1 122 . 1 1 37 37 TRP N N 15 129.789 0.031 . . . . 1 A 414 TRP N . 30008 1 123 . 1 1 37 37 TRP H H 1 8.275 0.003 . . . . 1 A 414 TRP H . 30008 1 124 . 1 1 37 37 TRP CA C 13 58.134 0.029 . . . . 1 A 414 TRP CA . 30008 1 125 . 1 1 37 37 TRP CB C 13 28.878 0.008 . . . . 1 A 414 TRP CB . 30008 1 126 . 1 1 37 37 TRP C C 13 176.463 0.000 . . . . 1 A 414 TRP C . 30008 1 127 . 1 1 38 38 LYS N N 15 123.318 0.026 . . . . 1 A 415 LYS N . 30008 1 128 . 1 1 38 38 LYS H H 1 9.229 0.002 . . . . 1 A 415 LYS H . 30008 1 129 . 1 1 38 38 LYS CA C 13 58.473 0.031 . . . . 1 A 415 LYS CA . 30008 1 130 . 1 1 38 38 LYS CB C 13 32.750 0.003 . . . . 1 A 415 LYS CB . 30008 1 131 . 1 1 38 38 LYS C C 13 177.249 0.000 . . . . 1 A 415 LYS C . 30008 1 132 . 1 1 39 39 CYS N N 15 117.575 0.024 . . . . 1 A 416 CYS N . 30008 1 133 . 1 1 39 39 CYS H H 1 8.403 0.001 . . . . 1 A 416 CYS H . 30008 1 134 . 1 1 39 39 CYS CA C 13 58.297 0.022 . . . . 1 A 416 CYS CA . 30008 1 135 . 1 1 39 39 CYS CB C 13 31.942 0.009 . . . . 1 A 416 CYS CB . 30008 1 136 . 1 1 39 39 CYS C C 13 176.708 0.000 . . . . 1 A 416 CYS C . 30008 1 137 . 1 1 40 40 GLY N N 15 114.141 0.033 . . . . 1 A 417 GLY N . 30008 1 138 . 1 1 40 40 GLY H H 1 8.041 0.001 . . . . 1 A 417 GLY H . 30008 1 139 . 1 1 40 40 GLY CA C 13 45.797 0.002 . . . . 1 A 417 GLY CA . 30008 1 140 . 1 1 40 40 GLY C C 13 174.138 0.000 . . . . 1 A 417 GLY C . 30008 1 141 . 1 1 41 41 LYS N N 15 122.690 0.030 . . . . 1 A 418 LYS N . 30008 1 142 . 1 1 41 41 LYS H H 1 8.325 0.001 . . . . 1 A 418 LYS H . 30008 1 143 . 1 1 41 41 LYS CA C 13 56.122 0.037 . . . . 1 A 418 LYS CA . 30008 1 144 . 1 1 41 41 LYS CB C 13 32.755 0.013 . . . . 1 A 418 LYS CB . 30008 1 145 . 1 1 41 41 LYS C C 13 176.389 0.000 . . . . 1 A 418 LYS C . 30008 1 146 . 1 1 42 42 GLU N N 15 119.157 0.021 . . . . 1 A 419 GLU N . 30008 1 147 . 1 1 42 42 GLU H H 1 8.345 0.003 . . . . 1 A 419 GLU H . 30008 1 148 . 1 1 42 42 GLU CA C 13 56.260 0.000 . . . . 1 A 419 GLU CA . 30008 1 149 . 1 1 42 42 GLU CB C 13 30.021 0.000 . . . . 1 A 419 GLU CB . 30008 1 150 . 1 1 43 43 GLY CA C 13 45.413 0.000 . . . . 1 A 420 GLY CA . 30008 1 151 . 1 1 43 43 GLY C C 13 173.649 0.000 . . . . 1 A 420 GLY C . 30008 1 152 . 1 1 44 44 HIS N N 15 113.525 0.007 . . . . 1 A 421 HIS N . 30008 1 153 . 1 1 44 44 HIS H H 1 7.074 0.000 . . . . 1 A 421 HIS H . 30008 1 154 . 1 1 44 44 HIS CA C 13 54.952 0.001 . . . . 1 A 421 HIS CA . 30008 1 155 . 1 1 44 44 HIS CB C 13 29.751 0.073 . . . . 1 A 421 HIS CB . 30008 1 156 . 1 1 45 45 GLN N N 15 117.421 0.026 . . . . 1 A 422 GLN N . 30008 1 157 . 1 1 45 45 GLN H H 1 8.787 0.003 . . . . 1 A 422 GLN H . 30008 1 158 . 1 1 45 45 GLN CA C 13 53.796 0.002 . . . . 1 A 422 GLN CA . 30008 1 159 . 1 1 45 45 GLN CB C 13 30.429 0.032 . . . . 1 A 422 GLN CB . 30008 1 160 . 1 1 45 45 GLN C C 13 177.774 0.000 . . . . 1 A 422 GLN C . 30008 1 161 . 1 1 46 46 MET N N 15 122.206 0.021 . . . . 1 A 423 MET N . 30008 1 162 . 1 1 46 46 MET H H 1 8.729 0.002 . . . . 1 A 423 MET H . 30008 1 163 . 1 1 46 46 MET CA C 13 59.545 0.007 . . . . 1 A 423 MET CA . 30008 1 164 . 1 1 46 46 MET CB C 13 31.991 0.002 . . . . 1 A 423 MET CB . 30008 1 165 . 1 1 46 46 MET C C 13 178.361 0.000 . . . . 1 A 423 MET C . 30008 1 166 . 1 1 47 47 LYS N N 15 118.826 0.014 . . . . 1 A 424 LYS N . 30008 1 167 . 1 1 47 47 LYS H H 1 8.369 0.003 . . . . 1 A 424 LYS H . 30008 1 168 . 1 1 47 47 LYS CA C 13 58.116 0.005 . . . . 1 A 424 LYS CA . 30008 1 169 . 1 1 47 47 LYS CB C 13 30.537 0.061 . . . . 1 A 424 LYS CB . 30008 1 170 . 1 1 47 47 LYS C C 13 176.175 0.000 . . . . 1 A 424 LYS C . 30008 1 171 . 1 1 48 48 ASP N N 15 118.081 0.023 . . . . 1 A 425 ASP N . 30008 1 172 . 1 1 48 48 ASP H H 1 7.757 0.002 . . . . 1 A 425 ASP H . 30008 1 173 . 1 1 48 48 ASP CA C 13 53.315 0.005 . . . . 1 A 425 ASP CA . 30008 1 174 . 1 1 48 48 ASP CB C 13 41.963 0.011 . . . . 1 A 425 ASP CB . 30008 1 175 . 1 1 48 48 ASP C C 13 175.003 0.000 . . . . 1 A 425 ASP C . 30008 1 176 . 1 1 49 49 CYS N N 15 123.976 0.030 . . . . 1 A 426 CYS N . 30008 1 177 . 1 1 49 49 CYS H H 1 7.484 0.002 . . . . 1 A 426 CYS H . 30008 1 178 . 1 1 49 49 CYS CA C 13 62.127 0.012 . . . . 1 A 426 CYS CA . 30008 1 179 . 1 1 49 49 CYS CB C 13 29.948 0.022 . . . . 1 A 426 CYS CB . 30008 1 180 . 1 1 49 49 CYS C C 13 177.109 0.000 . . . . 1 A 426 CYS C . 30008 1 181 . 1 1 50 50 THR N N 15 120.018 0.009 . . . . 1 A 427 THR N . 30008 1 182 . 1 1 50 50 THR H H 1 8.009 0.005 . . . . 1 A 427 THR H . 30008 1 183 . 1 1 50 50 THR CA C 13 61.264 0.001 . . . . 1 A 427 THR CA . 30008 1 184 . 1 1 50 50 THR CB C 13 68.822 0.029 . . . . 1 A 427 THR CB . 30008 1 185 . 1 1 50 50 THR C C 13 174.993 0.000 . . . . 1 A 427 THR C . 30008 1 186 . 1 1 51 51 GLU N N 15 125.847 0.006 . . . . 1 A 428 GLU N . 30008 1 187 . 1 1 51 51 GLU H H 1 8.524 0.002 . . . . 1 A 428 GLU H . 30008 1 188 . 1 1 51 51 GLU CA C 13 56.455 0.015 . . . . 1 A 428 GLU CA . 30008 1 189 . 1 1 51 51 GLU CB C 13 29.101 0.001 . . . . 1 A 428 GLU CB . 30008 1 190 . 1 1 51 51 GLU C C 13 176.539 0.000 . . . . 1 A 428 GLU C . 30008 1 191 . 1 1 52 52 ARG N N 15 123.045 0.007 . . . . 1 A 429 ARG N . 30008 1 192 . 1 1 52 52 ARG H H 1 8.232 0.006 . . . . 1 A 429 ARG H . 30008 1 193 . 1 1 52 52 ARG CA C 13 55.541 0.043 . . . . 1 A 429 ARG CA . 30008 1 194 . 1 1 52 52 ARG CB C 13 29.803 0.056 . . . . 1 A 429 ARG CB . 30008 1 195 . 1 1 52 52 ARG C C 13 176.138 0.000 . . . . 1 A 429 ARG C . 30008 1 196 . 1 1 53 53 GLN N N 15 122.201 0.024 . . . . 1 A 430 GLN N . 30008 1 197 . 1 1 53 53 GLN H H 1 8.312 0.004 . . . . 1 A 430 GLN H . 30008 1 198 . 1 1 53 53 GLN CA C 13 55.304 0.073 . . . . 1 A 430 GLN CA . 30008 1 199 . 1 1 53 53 GLN CB C 13 28.683 0.016 . . . . 1 A 430 GLN CB . 30008 1 200 . 1 1 53 53 GLN C C 13 175.420 0.000 . . . . 1 A 430 GLN C . 30008 1 201 . 1 1 54 54 ALA N N 15 126.519 0.014 . . . . 1 A 431 ALA N . 30008 1 202 . 1 1 54 54 ALA H H 1 8.239 0.004 . . . . 1 A 431 ALA H . 30008 1 203 . 1 1 54 54 ALA CA C 13 51.983 0.010 . . . . 1 A 431 ALA CA . 30008 1 204 . 1 1 54 54 ALA CB C 13 18.704 0.006 . . . . 1 A 431 ALA CB . 30008 1 205 . 1 1 54 54 ALA C C 13 176.434 0.000 . . . . 1 A 431 ALA C . 30008 1 206 . 1 1 55 55 ASN N N 15 123.920 0.020 . . . . 1 A 432 ASN N . 30008 1 207 . 1 1 55 55 ASN H H 1 7.865 0.004 . . . . 1 A 432 ASN H . 30008 1 208 . 1 1 55 55 ASN CA C 13 54.421 0.000 . . . . 1 A 432 ASN CA . 30008 1 209 . 1 1 55 55 ASN CB C 13 39.887 0.000 . . . . 1 A 432 ASN CB . 30008 1 stop_ save_