################################### # 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 26779 _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 ; Re-referenced chemical shifts by Zhang et al method(J Biomol NMR 2003;25:173-195) http://shiftcor.wishartlab.com/ ; _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' . . . 26779 1 2 '3D HNCA' . . . 26779 1 3 '3D HNCO' . . . 26779 1 4 '3D HNCACB' . . . 26779 1 5 '3D CBCA(CO)NH' . . . 26779 1 6 '3D HN(CO)CA' . . . 26779 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 3 3 HIS C C 13 175.142 0.000 . 1 . . . . 368 HIS C . 26779 1 2 . 1 1 3 3 HIS CA C 13 56.556 0.000 . 1 . . . . 368 HIS CA . 26779 1 3 . 1 1 3 3 HIS CB C 13 30.030 0.000 . 1 . . . . 368 HIS CB . 26779 1 4 . 1 1 4 4 MET H H 1 8.278 0.006 . 1 . . . . 369 MET H . 26779 1 5 . 1 1 4 4 MET C C 13 175.841 0.070 . 1 . . . . 369 MET C . 26779 1 6 . 1 1 4 4 MET CA C 13 55.614 0.019 . 1 . . . . 369 MET CA . 26779 1 7 . 1 1 4 4 MET CB C 13 32.519 0.055 . 1 . . . . 369 MET CB . 26779 1 8 . 1 1 4 4 MET N N 15 121.610 0.081 . 1 . . . . 369 MET N . 26779 1 9 . 1 1 5 5 GLU H H 1 8.375 0.002 . 1 . . . . 370 GLU H . 26779 1 10 . 1 1 5 5 GLU C C 13 176.091 0.033 . 1 . . . . 370 GLU C . 26779 1 11 . 1 1 5 5 GLU CA C 13 56.795 0.022 . 1 . . . . 370 GLU CA . 26779 1 12 . 1 1 5 5 GLU CB C 13 29.957 0.010 . 1 . . . . 370 GLU CB . 26779 1 13 . 1 1 5 5 GLU N N 15 121.998 0.045 . 1 . . . . 370 GLU N . 26779 1 14 . 1 1 6 6 PHE H H 1 8.225 0.002 . 1 . . . . 371 PHE H . 26779 1 15 . 1 1 6 6 PHE C C 13 175.729 0.042 . 1 . . . . 371 PHE C . 26779 1 16 . 1 1 6 6 PHE CA C 13 57.894 0.017 . 1 . . . . 371 PHE CA . 26779 1 17 . 1 1 6 6 PHE CB C 13 39.343 0.011 . 1 . . . . 371 PHE CB . 26779 1 18 . 1 1 6 6 PHE N N 15 120.714 0.048 . 1 . . . . 371 PHE N . 26779 1 19 . 1 1 7 7 GLN H H 1 8.288 0.001 . 1 . . . . 372 GLN H . 26779 1 20 . 1 1 7 7 GLN C C 13 175.759 0.024 . 1 . . . . 372 GLN C . 26779 1 21 . 1 1 7 7 GLN CA C 13 55.821 0.011 . 1 . . . . 372 GLN CA . 26779 1 22 . 1 1 7 7 GLN CB C 13 29.311 0.020 . 1 . . . . 372 GLN CB . 26779 1 23 . 1 1 7 7 GLN N N 15 121.886 0.026 . 1 . . . . 372 GLN N . 26779 1 24 . 1 1 8 8 SER H H 1 8.319 0.002 . 1 . . . . 373 SER H . 26779 1 25 . 1 1 8 8 SER C C 13 174.213 0.034 . 1 . . . . 373 SER C . 26779 1 26 . 1 1 8 8 SER CA C 13 58.821 0.006 . 1 . . . . 373 SER CA . 26779 1 27 . 1 1 8 8 SER CB C 13 64.091 0.031 . 1 . . . . 373 SER CB . 26779 1 28 . 1 1 8 8 SER N N 15 117.036 0.034 . 1 . . . . 373 SER N . 26779 1 29 . 1 1 9 9 ASP H H 1 8.382 0.002 . 1 . . . . 374 ASP H . 26779 1 30 . 1 1 9 9 ASP C C 13 176.124 0.022 . 1 . . . . 374 ASP C . 26779 1 31 . 1 1 9 9 ASP CA C 13 54.406 0.010 . 1 . . . . 374 ASP CA . 26779 1 32 . 1 1 9 9 ASP CB C 13 41.101 0.024 . 1 . . . . 374 ASP CB . 26779 1 33 . 1 1 9 9 ASP N N 15 121.901 0.102 . 1 . . . . 374 ASP N . 26779 1 34 . 1 1 10 10 HIS H H 1 8.351 0.006 . 1 . . . . 375 HIS H . 26779 1 35 . 1 1 10 10 HIS C C 13 175.452 0.033 . 1 . . . . 375 HIS C . 26779 1 36 . 1 1 10 10 HIS CA C 13 56.531 0.009 . 1 . . . . 375 HIS CA . 26779 1 37 . 1 1 10 10 HIS CB C 13 29.752 0.000 . 1 . . . . 375 HIS CB . 26779 1 38 . 1 1 10 10 HIS N N 15 119.946 0.045 . 1 . . . . 375 HIS N . 26779 1 39 . 1 1 11 11 ARG H H 1 8.228 0.001 . 1 . . . . 376 ARG H . 26779 1 40 . 1 1 11 11 ARG C C 13 176.133 0.043 . 1 . . . . 376 ARG C . 26779 1 41 . 1 1 11 11 ARG CA C 13 56.642 0.006 . 1 . . . . 376 ARG CA . 26779 1 42 . 1 1 11 11 ARG CB C 13 30.597 0.071 . 1 . . . . 376 ARG CB . 26779 1 43 . 1 1 11 11 ARG N N 15 121.459 0.025 . 1 . . . . 376 ARG N . 26779 1 44 . 1 1 12 12 GLU H H 1 8.724 0.003 . 1 . . . . 377 GLU H . 26779 1 45 . 1 1 12 12 GLU C C 13 175.838 0.000 . 1 . . . . 377 GLU C . 26779 1 46 . 1 1 12 12 GLU CA C 13 56.559 0.000 . 1 . . . . 377 GLU CA . 26779 1 47 . 1 1 12 12 GLU CB C 13 30.319 0.000 . 1 . . . . 377 GLU CB . 26779 1 48 . 1 1 12 12 GLU N N 15 121.250 0.028 . 1 . . . . 377 GLU N . 26779 1 49 . 1 1 23 23 LEU C C 13 176.530 0.000 . 1 . . . . 388 LEU C . 26779 1 50 . 1 1 23 23 LEU CA C 13 53.444 0.030 . 1 . . . . 388 LEU CA . 26779 1 51 . 1 1 24 24 GLN H H 1 8.512 0.003 . 1 . . . . 389 GLN H . 26779 1 52 . 1 1 24 24 GLN C C 13 176.327 0.000 . 1 . . . . 389 GLN C . 26779 1 53 . 1 1 24 24 GLN CA C 13 56.508 0.020 . 1 . . . . 389 GLN CA . 26779 1 54 . 1 1 24 24 GLN CB C 13 28.764 0.110 . 1 . . . . 389 GLN CB . 26779 1 55 . 1 1 24 24 GLN N N 15 120.643 0.039 . 1 . . . . 389 GLN N . 26779 1 56 . 1 1 25 25 THR H H 1 8.090 0.001 . 1 . . . . 390 THR H . 26779 1 57 . 1 1 25 25 THR C C 13 175.315 0.004 . 1 . . . . 390 THR C . 26779 1 58 . 1 1 25 25 THR CA C 13 59.627 0.064 . 1 . . . . 390 THR CA . 26779 1 59 . 1 1 25 25 THR CB C 13 71.743 0.005 . 1 . . . . 390 THR CB . 26779 1 60 . 1 1 25 25 THR N N 15 114.845 0.056 . 1 . . . . 390 THR N . 26779 1 61 . 1 1 26 26 VAL H H 1 8.349 0.002 . 1 . . . . 391 VAL H . 26779 1 62 . 1 1 26 26 VAL C C 13 175.069 0.022 . 1 . . . . 391 VAL C . 26779 1 63 . 1 1 26 26 VAL CA C 13 58.751 0.034 . 1 . . . . 391 VAL CA . 26779 1 64 . 1 1 26 26 VAL CB C 13 34.551 0.032 . 1 . . . . 391 VAL CB . 26779 1 65 . 1 1 26 26 VAL N N 15 113.659 0.041 . 1 . . . . 391 VAL N . 26779 1 66 . 1 1 27 27 ASP H H 1 8.361 0.001 . 1 . . . . 392 ASP H . 26779 1 67 . 1 1 27 27 ASP C C 13 175.384 0.055 . 1 . . . . 392 ASP C . 26779 1 68 . 1 1 27 27 ASP CA C 13 55.279 0.016 . 1 . . . . 392 ASP CA . 26779 1 69 . 1 1 27 27 ASP CB C 13 41.397 0.037 . 1 . . . . 392 ASP CB . 26779 1 70 . 1 1 27 27 ASP N N 15 121.281 0.061 . 1 . . . . 392 ASP N . 26779 1 71 . 1 1 28 28 GLY H H 1 7.740 0.001 . 1 . . . . 393 GLY H . 26779 1 72 . 1 1 28 28 GLY C C 13 173.720 0.009 . 1 . . . . 393 GLY C . 26779 1 73 . 1 1 28 28 GLY CA C 13 43.101 0.010 . 1 . . . . 393 GLY CA . 26779 1 74 . 1 1 28 28 GLY N N 15 108.486 0.046 . 1 . . . . 393 GLY N . 26779 1 75 . 1 1 29 29 LYS H H 1 7.726 0.002 . 1 . . . . 394 LYS H . 26779 1 76 . 1 1 29 29 LYS C C 13 177.456 0.032 . 1 . . . . 394 LYS C . 26779 1 77 . 1 1 29 29 LYS CA C 13 59.354 0.017 . 1 . . . . 394 LYS CA . 26779 1 78 . 1 1 29 29 LYS CB C 13 32.819 0.094 . 1 . . . . 394 LYS CB . 26779 1 79 . 1 1 29 29 LYS N N 15 119.431 0.017 . 1 . . . . 394 LYS N . 26779 1 80 . 1 1 30 30 HIS H H 1 8.005 0.002 . 1 . . . . 395 HIS H . 26779 1 81 . 1 1 30 30 HIS C C 13 176.785 0.007 . 1 . . . . 395 HIS C . 26779 1 82 . 1 1 30 30 HIS CA C 13 55.658 0.010 . 1 . . . . 395 HIS CA . 26779 1 83 . 1 1 30 30 HIS CB C 13 30.357 0.035 . 1 . . . . 395 HIS CB . 26779 1 84 . 1 1 30 30 HIS N N 15 115.637 0.033 . 1 . . . . 395 HIS N . 26779 1 85 . 1 1 31 31 GLN H H 1 9.038 0.002 . 1 . . . . 396 GLN H . 26779 1 86 . 1 1 31 31 GLN C C 13 175.707 0.014 . 1 . . . . 396 GLN C . 26779 1 87 . 1 1 31 31 GLN CA C 13 58.045 0.025 . 1 . . . . 396 GLN CA . 26779 1 88 . 1 1 31 31 GLN CB C 13 28.434 0.024 . 1 . . . . 396 GLN CB . 26779 1 89 . 1 1 31 31 GLN N N 15 123.651 0.046 . 1 . . . . 396 GLN N . 26779 1 90 . 1 1 32 32 ASP H H 1 9.442 0.001 . 1 . . . . 397 ASP H . 26779 1 91 . 1 1 32 32 ASP C C 13 174.742 0.000 . 1 . . . . 397 ASP C . 26779 1 92 . 1 1 32 32 ASP CA C 13 53.715 0.007 . 1 . . . . 397 ASP CA . 26779 1 93 . 1 1 32 32 ASP CB C 13 39.273 0.037 . 1 . . . . 397 ASP CB . 26779 1 94 . 1 1 32 32 ASP N N 15 114.637 0.039 . 1 . . . . 397 ASP N . 26779 1 95 . 1 1 33 33 LEU H H 1 7.487 0.003 . 1 . . . . 398 LEU H . 26779 1 96 . 1 1 33 33 LEU C C 13 174.723 0.008 . 1 . . . . 398 LEU C . 26779 1 97 . 1 1 33 33 LEU CA C 13 52.998 0.005 . 1 . . . . 398 LEU CA . 26779 1 98 . 1 1 33 33 LEU CB C 13 43.246 0.033 . 1 . . . . 398 LEU CB . 26779 1 99 . 1 1 33 33 LEU N N 15 120.419 0.025 . 1 . . . . 398 LEU N . 26779 1 100 . 1 1 34 34 LYS H H 1 8.556 0.002 . 1 . . . . 399 LYS H . 26779 1 101 . 1 1 34 34 LYS C C 13 175.824 0.000 . 1 . . . . 399 LYS C . 26779 1 102 . 1 1 34 34 LYS CA C 13 52.689 0.022 . 1 . . . . 399 LYS CA . 26779 1 103 . 1 1 34 34 LYS N N 15 118.702 0.029 . 1 . . . . 399 LYS N . 26779 1 104 . 1 1 35 35 TYR H H 1 8.951 0.002 . 1 . . . . 400 TYR H . 26779 1 105 . 1 1 35 35 TYR C C 13 176.452 0.009 . 1 . . . . 400 TYR C . 26779 1 106 . 1 1 35 35 TYR CA C 13 56.573 0.023 . 1 . . . . 400 TYR CA . 26779 1 107 . 1 1 35 35 TYR CB C 13 40.996 0.011 . 1 . . . . 400 TYR CB . 26779 1 108 . 1 1 35 35 TYR N N 15 121.998 0.041 . 1 . . . . 400 TYR N . 26779 1 109 . 1 1 36 36 ILE H H 1 8.872 0.002 . 1 . . . . 401 ILE H . 26779 1 110 . 1 1 36 36 ILE C C 13 174.683 0.029 . 1 . . . . 401 ILE C . 26779 1 111 . 1 1 36 36 ILE CA C 13 58.569 0.045 . 1 . . . . 401 ILE CA . 26779 1 112 . 1 1 36 36 ILE CB C 13 42.240 0.054 . 1 . . . . 401 ILE CB . 26779 1 113 . 1 1 36 36 ILE N N 15 110.045 0.023 . 1 . . . . 401 ILE N . 26779 1 114 . 1 1 37 37 SER H H 1 8.818 0.002 . 1 . . . . 402 SER H . 26779 1 115 . 1 1 37 37 SER C C 13 174.393 0.000 . 1 . . . . 402 SER C . 26779 1 116 . 1 1 37 37 SER CA C 13 55.822 0.000 . 1 . . . . 402 SER CA . 26779 1 117 . 1 1 37 37 SER CB C 13 64.781 0.000 . 1 . . . . 402 SER CB . 26779 1 118 . 1 1 37 37 SER N N 15 116.791 0.032 . 1 . . . . 402 SER N . 26779 1 119 . 1 1 38 38 PRO C C 13 177.064 0.010 . 1 . . . . 403 PRO C . 26779 1 120 . 1 1 38 38 PRO CA C 13 66.139 0.016 . 1 . . . . 403 PRO CA . 26779 1 121 . 1 1 38 38 PRO CB C 13 31.959 0.009 . 1 . . . . 403 PRO CB . 26779 1 122 . 1 1 39 39 GLU H H 1 8.333 0.001 . 1 . . . . 404 GLU H . 26779 1 123 . 1 1 39 39 GLU C C 13 179.462 0.022 . 1 . . . . 404 GLU C . 26779 1 124 . 1 1 39 39 GLU CA C 13 60.134 0.020 . 1 . . . . 404 GLU CA . 26779 1 125 . 1 1 39 39 GLU CB C 13 28.583 0.010 . 1 . . . . 404 GLU CB . 26779 1 126 . 1 1 39 39 GLU N N 15 116.207 0.035 . 1 . . . . 404 GLU N . 26779 1 127 . 1 1 40 40 THR H H 1 7.899 0.003 . 1 . . . . 405 THR H . 26779 1 128 . 1 1 40 40 THR C C 13 175.278 0.035 . 1 . . . . 405 THR C . 26779 1 129 . 1 1 40 40 THR CA C 13 65.951 0.033 . 1 . . . . 405 THR CA . 26779 1 130 . 1 1 40 40 THR CB C 13 67.385 0.022 . 1 . . . . 405 THR CB . 26779 1 131 . 1 1 40 40 THR N N 15 121.736 0.040 . 1 . . . . 405 THR N . 26779 1 132 . 1 1 41 41 MET H H 1 7.763 0.002 . 1 . . . . 406 MET H . 26779 1 133 . 1 1 41 41 MET C C 13 177.632 0.001 . 1 . . . . 406 MET C . 26779 1 134 . 1 1 41 41 MET CA C 13 57.888 0.009 . 1 . . . . 406 MET CA . 26779 1 135 . 1 1 41 41 MET CB C 13 34.173 0.075 . 1 . . . . 406 MET CB . 26779 1 136 . 1 1 41 41 MET N N 15 121.696 0.041 . 1 . . . . 406 MET N . 26779 1 137 . 1 1 42 42 VAL H H 1 8.089 0.001 . 1 . . . . 407 VAL H . 26779 1 138 . 1 1 42 42 VAL C C 13 178.028 0.017 . 1 . . . . 407 VAL C . 26779 1 139 . 1 1 42 42 VAL CA C 13 66.877 0.036 . 1 . . . . 407 VAL CA . 26779 1 140 . 1 1 42 42 VAL CB C 13 30.655 0.164 . 1 . . . . 407 VAL CB . 26779 1 141 . 1 1 42 42 VAL N N 15 119.094 0.036 . 1 . . . . 407 VAL N . 26779 1 142 . 1 1 43 43 ALA H H 1 7.741 0.001 . 1 . . . . 408 ALA H . 26779 1 143 . 1 1 43 43 ALA C C 13 179.301 0.000 . 1 . . . . 408 ALA C . 26779 1 144 . 1 1 43 43 ALA CA C 13 55.387 0.037 . 1 . . . . 408 ALA CA . 26779 1 145 . 1 1 43 43 ALA CB C 13 17.716 0.023 . 1 . . . . 408 ALA CB . 26779 1 146 . 1 1 43 43 ALA N N 15 124.857 0.065 . 1 . . . . 408 ALA N . 26779 1 147 . 1 1 44 44 LEU H H 1 7.777 0.005 . 1 . . . . 409 LEU H . 26779 1 148 . 1 1 44 44 LEU C C 13 180.628 0.004 . 1 . . . . 409 LEU C . 26779 1 149 . 1 1 44 44 LEU CA C 13 58.077 0.058 . 1 . . . . 409 LEU CA . 26779 1 150 . 1 1 44 44 LEU CB C 13 40.333 0.015 . 1 . . . . 409 LEU CB . 26779 1 151 . 1 1 44 44 LEU N N 15 118.210 0.091 . 1 . . . . 409 LEU N . 26779 1 152 . 1 1 45 45 LEU H H 1 8.074 0.001 . 1 . . . . 410 LEU H . 26779 1 153 . 1 1 45 45 LEU C C 13 178.501 0.017 . 1 . . . . 410 LEU C . 26779 1 154 . 1 1 45 45 LEU CA C 13 58.030 0.017 . 1 . . . . 410 LEU CA . 26779 1 155 . 1 1 45 45 LEU CB C 13 42.500 0.039 . 1 . . . . 410 LEU CB . 26779 1 156 . 1 1 45 45 LEU N N 15 119.505 0.039 . 1 . . . . 410 LEU N . 26779 1 157 . 1 1 46 46 THR H H 1 8.006 0.003 . 1 . . . . 411 THR H . 26779 1 158 . 1 1 46 46 THR C C 13 175.582 0.010 . 1 . . . . 411 THR C . 26779 1 159 . 1 1 46 46 THR CA C 13 62.004 0.021 . 1 . . . . 411 THR CA . 26779 1 160 . 1 1 46 46 THR CB C 13 69.756 0.037 . 1 . . . . 411 THR CB . 26779 1 161 . 1 1 46 46 THR N N 15 107.314 0.039 . 1 . . . . 411 THR N . 26779 1 162 . 1 1 47 47 GLY H H 1 7.683 0.001 . 1 . . . . 412 GLY H . 26779 1 163 . 1 1 47 47 GLY C C 13 177.054 0.038 . 1 . . . . 412 GLY C . 26779 1 164 . 1 1 47 47 GLY CA C 13 46.708 0.017 . 1 . . . . 412 GLY CA . 26779 1 165 . 1 1 47 47 GLY N N 15 108.138 0.041 . 1 . . . . 412 GLY N . 26779 1 166 . 1 1 48 48 LYS H H 1 8.262 0.003 . 1 . . . . 413 LYS H . 26779 1 167 . 1 1 48 48 LYS C C 13 177.188 0.021 . 1 . . . . 413 LYS C . 26779 1 168 . 1 1 48 48 LYS CA C 13 58.032 0.020 . 1 . . . . 413 LYS CA . 26779 1 169 . 1 1 48 48 LYS CB C 13 30.992 0.010 . 1 . . . . 413 LYS CB . 26779 1 170 . 1 1 48 48 LYS N N 15 119.400 0.041 . 1 . . . . 413 LYS N . 26779 1 171 . 1 1 49 49 PHE H H 1 8.439 0.002 . 1 . . . . 414 PHE H . 26779 1 172 . 1 1 49 49 PHE C C 13 177.226 0.000 . 1 . . . . 414 PHE C . 26779 1 173 . 1 1 49 49 PHE CA C 13 56.641 0.017 . 1 . . . . 414 PHE CA . 26779 1 174 . 1 1 49 49 PHE N N 15 114.033 0.057 . 1 . . . . 414 PHE N . 26779 1 175 . 1 1 50 50 SER H H 1 7.680 0.002 . 1 . . . . 415 SER H . 26779 1 176 . 1 1 50 50 SER C C 13 174.348 0.000 . 1 . . . . 415 SER C . 26779 1 177 . 1 1 50 50 SER CA C 13 61.932 0.012 . 1 . . . . 415 SER CA . 26779 1 178 . 1 1 50 50 SER CB C 13 63.469 0.049 . 1 . . . . 415 SER CB . 26779 1 179 . 1 1 50 50 SER N N 15 117.924 0.042 . 1 . . . . 415 SER N . 26779 1 180 . 1 1 51 51 ASN H H 1 8.779 0.003 . 1 . . . . 416 ASN H . 26779 1 181 . 1 1 51 51 ASN C C 13 174.755 0.000 . 1 . . . . 416 ASN C . 26779 1 182 . 1 1 51 51 ASN CA C 13 55.248 0.000 . 1 . . . . 416 ASN CA . 26779 1 183 . 1 1 51 51 ASN CB C 13 37.326 0.003 . 1 . . . . 416 ASN CB . 26779 1 184 . 1 1 51 51 ASN N N 15 116.968 0.031 . 1 . . . . 416 ASN N . 26779 1 185 . 1 1 52 52 ILE C C 13 173.989 0.000 . 1 . . . . 417 ILE C . 26779 1 186 . 1 1 52 52 ILE CA C 13 61.676 0.000 . 1 . . . . 417 ILE CA . 26779 1 187 . 1 1 52 52 ILE CB C 13 41.234 0.000 . 1 . . . . 417 ILE CB . 26779 1 188 . 1 1 53 53 VAL H H 1 8.590 0.003 . 1 . . . . 418 VAL H . 26779 1 189 . 1 1 53 53 VAL C C 13 175.136 0.011 . 1 . . . . 418 VAL C . 26779 1 190 . 1 1 53 53 VAL CA C 13 62.088 0.000 . 1 . . . . 418 VAL CA . 26779 1 191 . 1 1 53 53 VAL CB C 13 31.495 0.000 . 1 . . . . 418 VAL CB . 26779 1 192 . 1 1 53 53 VAL N N 15 121.807 0.035 . 1 . . . . 418 VAL N . 26779 1 193 . 1 1 54 54 ASP H H 1 9.227 0.003 . 1 . . . . 419 ASP H . 26779 1 194 . 1 1 54 54 ASP N N 15 128.669 0.002 . 1 . . . . 419 ASP N . 26779 1 195 . 1 1 57 57 VAL C C 13 174.337 0.013 . 1 . . . . 422 VAL C . 26779 1 196 . 1 1 57 57 VAL CA C 13 60.647 0.000 . 1 . . . . 422 VAL CA . 26779 1 197 . 1 1 57 57 VAL CB C 13 33.966 0.039 . 1 . . . . 422 VAL CB . 26779 1 198 . 1 1 58 58 ILE H H 1 9.035 0.003 . 1 . . . . 423 ILE H . 26779 1 199 . 1 1 58 58 ILE C C 13 173.567 0.006 . 1 . . . . 423 ILE C . 26779 1 200 . 1 1 58 58 ILE CA C 13 60.426 0.011 . 1 . . . . 423 ILE CA . 26779 1 201 . 1 1 58 58 ILE CB C 13 38.632 0.071 . 1 . . . . 423 ILE CB . 26779 1 202 . 1 1 58 58 ILE N N 15 127.945 0.035 . 1 . . . . 423 ILE N . 26779 1 203 . 1 1 59 59 VAL H H 1 9.526 0.002 . 1 . . . . 424 VAL H . 26779 1 204 . 1 1 59 59 VAL C C 13 173.606 0.016 . 1 . . . . 424 VAL C . 26779 1 205 . 1 1 59 59 VAL CA C 13 61.724 0.024 . 1 . . . . 424 VAL CA . 26779 1 206 . 1 1 59 59 VAL CB C 13 31.264 0.038 . 1 . . . . 424 VAL CB . 26779 1 207 . 1 1 59 59 VAL N N 15 128.694 0.046 . 1 . . . . 424 VAL N . 26779 1 208 . 1 1 60 60 ASP H H 1 8.784 0.004 . 1 . . . . 425 ASP H . 26779 1 209 . 1 1 60 60 ASP C C 13 178.141 0.009 . 1 . . . . 425 ASP C . 26779 1 210 . 1 1 60 60 ASP CA C 13 52.510 0.074 . 1 . . . . 425 ASP CA . 26779 1 211 . 1 1 60 60 ASP CB C 13 41.279 0.066 . 1 . . . . 425 ASP CB . 26779 1 212 . 1 1 60 60 ASP N N 15 127.220 0.042 . 1 . . . . 425 ASP N . 26779 1 213 . 1 1 61 61 CYS H H 1 8.355 0.003 . 1 . . . . 426 CYS H . 26779 1 214 . 1 1 61 61 CYS C C 13 173.346 0.006 . 1 . . . . 426 CYS C . 26779 1 215 . 1 1 61 61 CYS CA C 13 58.449 0.003 . 1 . . . . 426 CYS CA . 26779 1 216 . 1 1 61 61 CYS CB C 13 27.594 0.075 . 1 . . . . 426 CYS CB . 26779 1 217 . 1 1 61 61 CYS N N 15 124.518 0.069 . 1 . . . . 426 CYS N . 26779 1 218 . 1 1 62 62 ARG H H 1 7.713 0.004 . 1 . . . . 427 ARG H . 26779 1 219 . 1 1 62 62 ARG C C 13 173.899 0.026 . 1 . . . . 427 ARG C . 26779 1 220 . 1 1 62 62 ARG CA C 13 54.938 0.031 . 1 . . . . 427 ARG CA . 26779 1 221 . 1 1 62 62 ARG CB C 13 29.699 0.056 . 1 . . . . 427 ARG CB . 26779 1 222 . 1 1 62 62 ARG N N 15 117.337 0.039 . 1 . . . . 427 ARG N . 26779 1 223 . 1 1 63 63 TYR H H 1 7.675 0.002 . 1 . . . . 428 TYR H . 26779 1 224 . 1 1 63 63 TYR C C 13 175.340 0.000 . 1 . . . . 428 TYR C . 26779 1 225 . 1 1 63 63 TYR CA C 13 54.484 0.000 . 1 . . . . 428 TYR CA . 26779 1 226 . 1 1 63 63 TYR CB C 13 34.105 0.000 . 1 . . . . 428 TYR CB . 26779 1 227 . 1 1 63 63 TYR N N 15 118.039 0.083 . 1 . . . . 428 TYR N . 26779 1 228 . 1 1 64 64 PRO C C 13 178.439 0.000 . 1 . . . . 429 PRO C . 26779 1 229 . 1 1 64 64 PRO CA C 13 66.488 0.013 . 1 . . . . 429 PRO CA . 26779 1 230 . 1 1 64 64 PRO CB C 13 30.437 0.000 . 1 . . . . 429 PRO CB . 26779 1 231 . 1 1 65 65 TYR H H 1 7.136 0.002 . 1 . . . . 430 TYR H . 26779 1 232 . 1 1 65 65 TYR C C 13 178.194 0.023 . 1 . . . . 430 TYR C . 26779 1 233 . 1 1 65 65 TYR CA C 13 59.785 0.010 . 1 . . . . 430 TYR CA . 26779 1 234 . 1 1 65 65 TYR CB C 13 36.045 0.040 . 1 . . . . 430 TYR CB . 26779 1 235 . 1 1 65 65 TYR N N 15 110.322 0.025 . 1 . . . . 430 TYR N . 26779 1 236 . 1 1 66 66 GLU H H 1 6.233 0.001 . 1 . . . . 431 GLU H . 26779 1 237 . 1 1 66 66 GLU C C 13 178.320 0.010 . 1 . . . . 431 GLU C . 26779 1 238 . 1 1 66 66 GLU CA C 13 59.259 0.009 . 1 . . . . 431 GLU CA . 26779 1 239 . 1 1 66 66 GLU CB C 13 30.641 0.029 . 1 . . . . 431 GLU CB . 26779 1 240 . 1 1 66 66 GLU N N 15 123.187 0.027 . 1 . . . . 431 GLU N . 26779 1 241 . 1 1 67 67 TYR H H 1 7.066 0.002 . 1 . . . . 432 TYR H . 26779 1 242 . 1 1 67 67 TYR C C 13 179.597 0.000 . 1 . . . . 432 TYR C . 26779 1 243 . 1 1 67 67 TYR CA C 13 61.417 0.000 . 1 . . . . 432 TYR CA . 26779 1 244 . 1 1 67 67 TYR CB C 13 38.073 0.000 . 1 . . . . 432 TYR CB . 26779 1 245 . 1 1 67 67 TYR N N 15 120.710 0.039 . 1 . . . . 432 TYR N . 26779 1 246 . 1 1 68 68 GLU C C 13 177.407 0.003 . 1 . . . . 433 GLU C . 26779 1 247 . 1 1 68 68 GLU CA C 13 58.209 0.006 . 1 . . . . 433 GLU CA . 26779 1 248 . 1 1 68 68 GLU CB C 13 29.327 0.059 . 1 . . . . 433 GLU CB . 26779 1 249 . 1 1 69 69 GLY H H 1 7.030 0.002 . 1 . . . . 434 GLY H . 26779 1 250 . 1 1 69 69 GLY C C 13 171.492 0.008 . 1 . . . . 434 GLY C . 26779 1 251 . 1 1 69 69 GLY CA C 13 44.566 0.025 . 1 . . . . 434 GLY CA . 26779 1 252 . 1 1 69 69 GLY N N 15 103.770 0.036 . 1 . . . . 434 GLY N . 26779 1 253 . 1 1 70 70 GLY H H 1 6.554 0.001 . 1 . . . . 435 GLY H . 26779 1 254 . 1 1 70 70 GLY C C 13 172.135 0.000 . 1 . . . . 435 GLY C . 26779 1 255 . 1 1 70 70 GLY CA C 13 46.578 0.006 . 1 . . . . 435 GLY CA . 26779 1 256 . 1 1 70 70 GLY N N 15 106.388 0.073 . 1 . . . . 435 GLY N . 26779 1 257 . 1 1 71 71 HIS H H 1 7.627 0.001 . 1 . . . . 436 HIS H . 26779 1 258 . 1 1 71 71 HIS C C 13 172.081 0.016 . 1 . . . . 436 HIS C . 26779 1 259 . 1 1 71 71 HIS CA C 13 54.013 0.019 . 1 . . . . 436 HIS CA . 26779 1 260 . 1 1 71 71 HIS CB C 13 31.359 0.052 . 1 . . . . 436 HIS CB . 26779 1 261 . 1 1 71 71 HIS N N 15 123.823 0.045 . 1 . . . . 436 HIS N . 26779 1 262 . 1 1 72 72 ILE H H 1 10.685 0.003 . 1 . . . . 437 ILE H . 26779 1 263 . 1 1 72 72 ILE C C 13 177.479 0.000 . 1 . . . . 437 ILE C . 26779 1 264 . 1 1 72 72 ILE CA C 13 63.683 0.000 . 1 . . . . 437 ILE CA . 26779 1 265 . 1 1 72 72 ILE CB C 13 37.934 0.000 . 1 . . . . 437 ILE CB . 26779 1 266 . 1 1 72 72 ILE N N 15 123.844 0.033 . 1 . . . . 437 ILE N . 26779 1 267 . 1 1 73 73 LYS C C 13 177.711 0.019 . 1 . . . . 438 LYS C . 26779 1 268 . 1 1 73 73 LYS CA C 13 59.524 0.010 . 1 . . . . 438 LYS CA . 26779 1 269 . 1 1 73 73 LYS CB C 13 32.732 0.021 . 1 . . . . 438 LYS CB . 26779 1 270 . 1 1 74 74 THR H H 1 8.834 0.002 . 1 . . . . 439 THR H . 26779 1 271 . 1 1 74 74 THR C C 13 175.223 0.000 . 1 . . . . 439 THR C . 26779 1 272 . 1 1 74 74 THR CA C 13 65.937 0.003 . 1 . . . . 439 THR CA . 26779 1 273 . 1 1 74 74 THR CB C 13 69.419 0.044 . 1 . . . . 439 THR CB . 26779 1 274 . 1 1 74 74 THR N N 15 113.597 0.047 . 1 . . . . 439 THR N . 26779 1 275 . 1 1 75 75 ALA H H 1 8.737 0.001 . 1 . . . . 440 ALA H . 26779 1 276 . 1 1 75 75 ALA C C 13 177.939 0.007 . 1 . . . . 440 ALA C . 26779 1 277 . 1 1 75 75 ALA CA C 13 53.819 0.072 . 1 . . . . 440 ALA CA . 26779 1 278 . 1 1 75 75 ALA CB C 13 21.787 0.011 . 1 . . . . 440 ALA CB . 26779 1 279 . 1 1 75 75 ALA N N 15 125.739 0.038 . 1 . . . . 440 ALA N . 26779 1 280 . 1 1 76 76 VAL H H 1 9.086 0.002 . 1 . . . . 441 VAL H . 26779 1 281 . 1 1 76 76 VAL C C 13 173.704 0.019 . 1 . . . . 441 VAL C . 26779 1 282 . 1 1 76 76 VAL CA C 13 59.687 0.019 . 1 . . . . 441 VAL CA . 26779 1 283 . 1 1 76 76 VAL CB C 13 33.314 0.025 . 1 . . . . 441 VAL CB . 26779 1 284 . 1 1 76 76 VAL N N 15 121.160 0.052 . 1 . . . . 441 VAL N . 26779 1 285 . 1 1 77 77 ASN H H 1 8.536 0.002 . 1 . . . . 442 ASN H . 26779 1 286 . 1 1 77 77 ASN C C 13 173.313 0.002 . 1 . . . . 442 ASN C . 26779 1 287 . 1 1 77 77 ASN CA C 13 51.380 0.031 . 1 . . . . 442 ASN CA . 26779 1 288 . 1 1 77 77 ASN CB C 13 38.210 0.061 . 1 . . . . 442 ASN CB . 26779 1 289 . 1 1 77 77 ASN N N 15 124.657 0.029 . 1 . . . . 442 ASN N . 26779 1 290 . 1 1 78 78 LEU H H 1 7.122 0.003 . 1 . . . . 443 LEU H . 26779 1 291 . 1 1 78 78 LEU C C 13 170.923 0.000 . 1 . . . . 443 LEU C . 26779 1 292 . 1 1 78 78 LEU CA C 13 51.193 0.000 . 1 . . . . 443 LEU CA . 26779 1 293 . 1 1 78 78 LEU CB C 13 41.685 0.000 . 1 . . . . 443 LEU CB . 26779 1 294 . 1 1 78 78 LEU N N 15 124.244 0.034 . 1 . . . . 443 LEU N . 26779 1 295 . 1 1 79 79 PRO C C 13 177.066 0.045 . 1 . . . . 444 PRO C . 26779 1 296 . 1 1 79 79 PRO CA C 13 64.013 0.014 . 1 . . . . 444 PRO CA . 26779 1 297 . 1 1 79 79 PRO CB C 13 32.082 0.042 . 1 . . . . 444 PRO CB . 26779 1 298 . 1 1 80 80 LEU H H 1 7.500 0.002 . 1 . . . . 445 LEU H . 26779 1 299 . 1 1 80 80 LEU C C 13 177.994 0.011 . 1 . . . . 445 LEU C . 26779 1 300 . 1 1 80 80 LEU CA C 13 52.789 0.004 . 1 . . . . 445 LEU CA . 26779 1 301 . 1 1 80 80 LEU CB C 13 42.852 0.025 . 1 . . . . 445 LEU CB . 26779 1 302 . 1 1 80 80 LEU N N 15 114.920 0.045 . 1 . . . . 445 LEU N . 26779 1 303 . 1 1 81 81 GLU H H 1 9.274 0.002 . 1 . . . . 446 GLU H . 26779 1 304 . 1 1 81 81 GLU C C 13 178.457 0.002 . 1 . . . . 446 GLU C . 26779 1 305 . 1 1 81 81 GLU CA C 13 60.583 0.028 . 1 . . . . 446 GLU CA . 26779 1 306 . 1 1 81 81 GLU CB C 13 28.230 0.006 . 1 . . . . 446 GLU CB . 26779 1 307 . 1 1 81 81 GLU N N 15 125.171 0.043 . 1 . . . . 446 GLU N . 26779 1 308 . 1 1 82 82 ARG H H 1 8.489 0.003 . 1 . . . . 447 ARG H . 26779 1 309 . 1 1 82 82 ARG C C 13 179.180 0.005 . 1 . . . . 447 ARG C . 26779 1 310 . 1 1 82 82 ARG CA C 13 59.026 0.006 . 1 . . . . 447 ARG CA . 26779 1 311 . 1 1 82 82 ARG CB C 13 28.994 0.024 . 1 . . . . 447 ARG CB . 26779 1 312 . 1 1 82 82 ARG N N 15 115.415 0.036 . 1 . . . . 447 ARG N . 26779 1 313 . 1 1 83 83 ASP H H 1 6.977 0.003 . 1 . . . . 448 ASP H . 26779 1 314 . 1 1 83 83 ASP C C 13 178.607 0.014 . 1 . . . . 448 ASP C . 26779 1 315 . 1 1 83 83 ASP CA C 13 56.981 0.004 . 1 . . . . 448 ASP CA . 26779 1 316 . 1 1 83 83 ASP CB C 13 41.092 0.067 . 1 . . . . 448 ASP CB . 26779 1 317 . 1 1 83 83 ASP N N 15 118.919 0.036 . 1 . . . . 448 ASP N . 26779 1 318 . 1 1 84 84 ALA H H 1 8.213 0.001 . 1 . . . . 449 ALA H . 26779 1 319 . 1 1 84 84 ALA C C 13 179.279 0.009 . 1 . . . . 449 ALA C . 26779 1 320 . 1 1 84 84 ALA CA C 13 55.608 0.018 . 1 . . . . 449 ALA CA . 26779 1 321 . 1 1 84 84 ALA CB C 13 18.760 0.069 . 1 . . . . 449 ALA CB . 26779 1 322 . 1 1 84 84 ALA N N 15 123.323 0.038 . 1 . . . . 449 ALA N . 26779 1 323 . 1 1 85 85 GLU H H 1 9.073 0.003 . 1 . . . . 450 GLU H . 26779 1 324 . 1 1 85 85 GLU C C 13 179.059 0.082 . 1 . . . . 450 GLU C . 26779 1 325 . 1 1 85 85 GLU CA C 13 60.413 0.041 . 1 . . . . 450 GLU CA . 26779 1 326 . 1 1 85 85 GLU CB C 13 29.392 0.080 . 1 . . . . 450 GLU CB . 26779 1 327 . 1 1 85 85 GLU N N 15 118.473 0.056 . 1 . . . . 450 GLU N . 26779 1 328 . 1 1 86 86 SER H H 1 7.966 0.003 . 1 . . . . 451 SER H . 26779 1 329 . 1 1 86 86 SER C C 13 175.919 0.000 . 1 . . . . 451 SER C . 26779 1 330 . 1 1 86 86 SER CA C 13 61.965 0.004 . 1 . . . . 451 SER CA . 26779 1 331 . 1 1 86 86 SER CB C 13 63.201 0.071 . 1 . . . . 451 SER CB . 26779 1 332 . 1 1 86 86 SER N N 15 113.872 0.047 . 1 . . . . 451 SER N . 26779 1 333 . 1 1 87 87 PHE H H 1 8.269 0.002 . 1 . . . . 452 PHE H . 26779 1 334 . 1 1 87 87 PHE C C 13 176.767 0.026 . 1 . . . . 452 PHE C . 26779 1 335 . 1 1 87 87 PHE CA C 13 61.675 0.028 . 1 . . . . 452 PHE CA . 26779 1 336 . 1 1 87 87 PHE CB C 13 41.288 0.019 . 1 . . . . 452 PHE CB . 26779 1 337 . 1 1 87 87 PHE N N 15 119.647 0.076 . 1 . . . . 452 PHE N . 26779 1 338 . 1 1 88 88 LEU H H 1 8.277 0.002 . 1 . . . . 453 LEU H . 26779 1 339 . 1 1 88 88 LEU C C 13 179.010 0.039 . 1 . . . . 453 LEU C . 26779 1 340 . 1 1 88 88 LEU CA C 13 55.769 0.035 . 1 . . . . 453 LEU CA . 26779 1 341 . 1 1 88 88 LEU CB C 13 42.646 0.024 . 1 . . . . 453 LEU CB . 26779 1 342 . 1 1 88 88 LEU N N 15 111.838 0.041 . 1 . . . . 453 LEU N . 26779 1 343 . 1 1 89 89 LEU H H 1 8.270 0.002 . 1 . . . . 454 LEU H . 26779 1 344 . 1 1 89 89 LEU C C 13 176.617 0.018 . 1 . . . . 454 LEU C . 26779 1 345 . 1 1 89 89 LEU CA C 13 55.557 0.030 . 1 . . . . 454 LEU CA . 26779 1 346 . 1 1 89 89 LEU CB C 13 42.874 0.069 . 1 . . . . 454 LEU CB . 26779 1 347 . 1 1 89 89 LEU N N 15 117.074 0.044 . 1 . . . . 454 LEU N . 26779 1 348 . 1 1 90 90 LYS H H 1 7.291 0.002 . 1 . . . . 455 LYS H . 26779 1 349 . 1 1 90 90 LYS C C 13 177.296 0.009 . 1 . . . . 455 LYS C . 26779 1 350 . 1 1 90 90 LYS CA C 13 59.160 0.007 . 1 . . . . 455 LYS CA . 26779 1 351 . 1 1 90 90 LYS CB C 13 31.543 0.000 . 1 . . . . 455 LYS CB . 26779 1 352 . 1 1 90 90 LYS N N 15 120.833 0.041 . 1 . . . . 455 LYS N . 26779 1 353 . 1 1 91 91 SER H H 1 7.819 0.006 . 1 . . . . 456 SER H . 26779 1 354 . 1 1 91 91 SER CA C 13 54.590 0.000 . 1 . . . . 456 SER CA . 26779 1 355 . 1 1 91 91 SER CB C 13 63.130 0.000 . 1 . . . . 456 SER CB . 26779 1 356 . 1 1 91 91 SER N N 15 112.987 0.050 . 1 . . . . 456 SER N . 26779 1 357 . 1 1 103 103 ILE C C 13 173.768 0.000 . 1 . . . . 468 ILE C . 26779 1 358 . 1 1 103 103 ILE CA C 13 60.242 0.000 . 1 . . . . 468 ILE CA . 26779 1 359 . 1 1 103 103 ILE CB C 13 42.417 0.000 . 1 . . . . 468 ILE CB . 26779 1 360 . 1 1 104 104 LEU H H 1 7.553 0.003 . 1 . . . . 469 LEU H . 26779 1 361 . 1 1 104 104 LEU C C 13 175.653 0.000 . 1 . . . . 469 LEU C . 26779 1 362 . 1 1 104 104 LEU CA C 13 53.349 0.000 . 1 . . . . 469 LEU CA . 26779 1 363 . 1 1 104 104 LEU CB C 13 44.852 0.127 . 1 . . . . 469 LEU CB . 26779 1 364 . 1 1 104 104 LEU N N 15 121.566 0.050 . 1 . . . . 469 LEU N . 26779 1 365 . 1 1 105 105 ILE H H 1 8.904 0.003 . 1 . . . . 470 ILE H . 26779 1 366 . 1 1 105 105 ILE C C 13 173.979 0.013 . 1 . . . . 470 ILE C . 26779 1 367 . 1 1 105 105 ILE CA C 13 59.692 0.000 . 1 . . . . 470 ILE CA . 26779 1 368 . 1 1 105 105 ILE CB C 13 40.375 0.000 . 1 . . . . 470 ILE CB . 26779 1 369 . 1 1 105 105 ILE N N 15 122.208 0.052 . 1 . . . . 470 ILE N . 26779 1 370 . 1 1 106 106 PHE H H 1 9.652 0.002 . 1 . . . . 471 PHE H . 26779 1 371 . 1 1 106 106 PHE C C 13 176.534 0.018 . 1 . . . . 471 PHE C . 26779 1 372 . 1 1 106 106 PHE CA C 13 56.367 0.055 . 1 . . . . 471 PHE CA . 26779 1 373 . 1 1 106 106 PHE CB C 13 42.391 0.035 . 1 . . . . 471 PHE CB . 26779 1 374 . 1 1 106 106 PHE N N 15 123.692 0.091 . 1 . . . . 471 PHE N . 26779 1 375 . 1 1 107 107 HIS H H 1 9.028 0.003 . 1 . . . . 472 HIS H . 26779 1 376 . 1 1 107 107 HIS C C 13 170.904 0.037 . 1 . . . . 472 HIS C . 26779 1 377 . 1 1 107 107 HIS CA C 13 55.298 0.011 . 1 . . . . 472 HIS CA . 26779 1 378 . 1 1 107 107 HIS CB C 13 34.858 0.053 . 1 . . . . 472 HIS CB . 26779 1 379 . 1 1 107 107 HIS N N 15 113.855 0.020 . 1 . . . . 472 HIS N . 26779 1 380 . 1 1 108 108 CYS H H 1 7.464 0.002 . 1 . . . . 473 CYS H . 26779 1 381 . 1 1 108 108 CYS C C 13 177.081 0.000 . 1 . . . . 473 CYS C . 26779 1 382 . 1 1 108 108 CYS CA C 13 58.197 0.000 . 1 . . . . 473 CYS CA . 26779 1 383 . 1 1 108 108 CYS CB C 13 27.815 0.000 . 1 . . . . 473 CYS CB . 26779 1 384 . 1 1 108 108 CYS N N 15 120.301 0.025 . 1 . . . . 473 CYS N . 26779 1 385 . 1 1 116 116 PRO C C 13 176.475 0.008 . 1 . . . . 481 PRO C . 26779 1 386 . 1 1 116 116 PRO CA C 13 66.002 0.000 . 1 . . . . 481 PRO CA . 26779 1 387 . 1 1 116 116 PRO CB C 13 31.213 0.010 . 1 . . . . 481 PRO CB . 26779 1 388 . 1 1 117 117 ARG H H 1 7.768 0.002 . 1 . . . . 482 ARG H . 26779 1 389 . 1 1 117 117 ARG C C 13 179.162 0.004 . 1 . . . . 482 ARG C . 26779 1 390 . 1 1 117 117 ARG CA C 13 59.767 0.036 . 1 . . . . 482 ARG CA . 26779 1 391 . 1 1 117 117 ARG CB C 13 29.623 0.020 . 1 . . . . 482 ARG CB . 26779 1 392 . 1 1 117 117 ARG N N 15 115.515 0.050 . 1 . . . . 482 ARG N . 26779 1 393 . 1 1 118 118 MET H H 1 8.072 0.002 . 1 . . . . 483 MET H . 26779 1 394 . 1 1 118 118 MET C C 13 176.952 0.012 . 1 . . . . 483 MET C . 26779 1 395 . 1 1 118 118 MET CA C 13 57.110 0.038 . 1 . . . . 483 MET CA . 26779 1 396 . 1 1 118 118 MET CB C 13 31.607 0.002 . 1 . . . . 483 MET CB . 26779 1 397 . 1 1 118 118 MET N N 15 120.992 0.064 . 1 . . . . 483 MET N . 26779 1 398 . 1 1 119 119 CYS H H 1 7.812 0.003 . 1 . . . . 484 CYS H . 26779 1 399 . 1 1 119 119 CYS C C 13 176.389 0.013 . 1 . . . . 484 CYS C . 26779 1 400 . 1 1 119 119 CYS CA C 13 61.766 0.033 . 1 . . . . 484 CYS CA . 26779 1 401 . 1 1 119 119 CYS CB C 13 27.197 0.013 . 1 . . . . 484 CYS CB . 26779 1 402 . 1 1 119 119 CYS N N 15 119.738 0.057 . 1 . . . . 484 CYS N . 26779 1 403 . 1 1 120 120 ARG H H 1 7.763 0.001 . 1 . . . . 485 ARG H . 26779 1 404 . 1 1 120 120 ARG C C 13 178.814 0.033 . 1 . . . . 485 ARG C . 26779 1 405 . 1 1 120 120 ARG CA C 13 60.203 0.001 . 1 . . . . 485 ARG CA . 26779 1 406 . 1 1 120 120 ARG CB C 13 29.692 0.004 . 1 . . . . 485 ARG CB . 26779 1 407 . 1 1 120 120 ARG N N 15 116.319 0.039 . 1 . . . . 485 ARG N . 26779 1 408 . 1 1 121 121 PHE H H 1 8.160 0.001 . 1 . . . . 486 PHE H . 26779 1 409 . 1 1 121 121 PHE C C 13 176.390 0.002 . 1 . . . . 486 PHE C . 26779 1 410 . 1 1 121 121 PHE CA C 13 61.131 0.005 . 1 . . . . 486 PHE CA . 26779 1 411 . 1 1 121 121 PHE CB C 13 38.597 0.034 . 1 . . . . 486 PHE CB . 26779 1 412 . 1 1 121 121 PHE N N 15 121.751 0.041 . 1 . . . . 486 PHE N . 26779 1 413 . 1 1 122 122 ILE H H 1 8.337 0.001 . 1 . . . . 487 ILE H . 26779 1 414 . 1 1 122 122 ILE C C 13 177.343 0.000 . 1 . . . . 487 ILE C . 26779 1 415 . 1 1 122 122 ILE CB C 13 34.012 0.000 . 1 . . . . 487 ILE CB . 26779 1 416 . 1 1 122 122 ILE N N 15 118.893 0.036 . 1 . . . . 487 ILE N . 26779 1 417 . 1 1 123 123 ARG C C 13 177.729 0.000 . 1 . . . . 488 ARG C . 26779 1 418 . 1 1 123 123 ARG CA C 13 56.942 0.000 . 1 . . . . 488 ARG CA . 26779 1 419 . 1 1 123 123 ARG CB C 13 26.618 0.000 . 1 . . . . 488 ARG CB . 26779 1 420 . 1 1 124 124 GLU H H 1 8.057 0.002 . 1 . . . . 489 GLU H . 26779 1 421 . 1 1 124 124 GLU C C 13 180.437 0.003 . 1 . . . . 489 GLU C . 26779 1 422 . 1 1 124 124 GLU CA C 13 59.679 0.010 . 1 . . . . 489 GLU CA . 26779 1 423 . 1 1 124 124 GLU CB C 13 28.958 0.037 . 1 . . . . 489 GLU CB . 26779 1 424 . 1 1 124 124 GLU N N 15 119.394 0.044 . 1 . . . . 489 GLU N . 26779 1 425 . 1 1 125 125 ARG H H 1 8.051 0.001 . 1 . . . . 490 ARG H . 26779 1 426 . 1 1 125 125 ARG C C 13 177.581 0.022 . 1 . . . . 490 ARG C . 26779 1 427 . 1 1 125 125 ARG CA C 13 56.738 0.008 . 1 . . . . 490 ARG CA . 26779 1 428 . 1 1 125 125 ARG CB C 13 28.330 0.034 . 1 . . . . 490 ARG CB . 26779 1 429 . 1 1 125 125 ARG N N 15 119.245 0.022 . 1 . . . . 490 ARG N . 26779 1 430 . 1 1 126 126 ASP H H 1 8.847 0.002 . 1 . . . . 491 ASP H . 26779 1 431 . 1 1 126 126 ASP C C 13 180.200 0.084 . 1 . . . . 491 ASP C . 26779 1 432 . 1 1 126 126 ASP CA C 13 56.556 0.000 . 1 . . . . 491 ASP CA . 26779 1 433 . 1 1 126 126 ASP CB C 13 42.226 0.000 . 1 . . . . 491 ASP CB . 26779 1 434 . 1 1 126 126 ASP N N 15 121.830 0.035 . 1 . . . . 491 ASP N . 26779 1 435 . 1 1 127 127 ARG H H 1 8.555 0.003 . 1 . . . . 492 ARG H . 26779 1 436 . 1 1 127 127 ARG C C 13 179.499 0.000 . 1 . . . . 492 ARG C . 26779 1 437 . 1 1 127 127 ARG CA C 13 57.880 0.052 . 1 . . . . 492 ARG CA . 26779 1 438 . 1 1 127 127 ARG N N 15 116.521 0.059 . 1 . . . . 492 ARG N . 26779 1 439 . 1 1 128 128 ALA H H 1 7.660 0.002 . 1 . . . . 493 ALA H . 26779 1 440 . 1 1 128 128 ALA C C 13 179.899 0.000 . 1 . . . . 493 ALA C . 26779 1 441 . 1 1 128 128 ALA CA C 13 54.830 0.000 . 1 . . . . 493 ALA CA . 26779 1 442 . 1 1 128 128 ALA CB C 13 18.595 0.000 . 1 . . . . 493 ALA CB . 26779 1 443 . 1 1 128 128 ALA N N 15 118.966 0.032 . 1 . . . . 493 ALA N . 26779 1 444 . 1 1 129 129 VAL H H 1 7.439 0.000 . 1 . . . . 494 VAL H . 26779 1 445 . 1 1 129 129 VAL C C 13 174.886 0.000 . 1 . . . . 494 VAL C . 26779 1 446 . 1 1 129 129 VAL CA C 13 61.354 0.008 . 1 . . . . 494 VAL CA . 26779 1 447 . 1 1 129 129 VAL CB C 13 31.623 0.000 . 1 . . . . 494 VAL CB . 26779 1 448 . 1 1 129 129 VAL N N 15 109.091 0.000 . 1 . . . . 494 VAL N . 26779 1 449 . 1 1 130 130 ASN H H 1 7.134 0.002 . 1 . . . . 495 ASN H . 26779 1 450 . 1 1 130 130 ASN C C 13 174.807 0.002 . 1 . . . . 495 ASN C . 26779 1 451 . 1 1 130 130 ASN CA C 13 52.939 0.008 . 1 . . . . 495 ASN CA . 26779 1 452 . 1 1 130 130 ASN CB C 13 44.731 0.034 . 1 . . . . 495 ASN CB . 26779 1 453 . 1 1 130 130 ASN N N 15 120.403 0.021 . 1 . . . . 495 ASN N . 26779 1 454 . 1 1 131 131 ASP H H 1 8.825 0.002 . 1 . . . . 496 ASP H . 26779 1 455 . 1 1 131 131 ASP C C 13 175.216 0.045 . 1 . . . . 496 ASP C . 26779 1 456 . 1 1 131 131 ASP CA C 13 53.774 0.029 . 1 . . . . 496 ASP CA . 26779 1 457 . 1 1 131 131 ASP CB C 13 40.650 0.008 . 1 . . . . 496 ASP CB . 26779 1 458 . 1 1 131 131 ASP N N 15 120.512 0.059 . 1 . . . . 496 ASP N . 26779 1 459 . 1 1 132 132 TYR H H 1 8.856 0.001 . 1 . . . . 497 TYR H . 26779 1 460 . 1 1 132 132 TYR C C 13 175.329 0.000 . 1 . . . . 497 TYR C . 26779 1 461 . 1 1 132 132 TYR CA C 13 56.685 0.000 . 1 . . . . 497 TYR CA . 26779 1 462 . 1 1 132 132 TYR CB C 13 38.871 0.000 . 1 . . . . 497 TYR CB . 26779 1 463 . 1 1 132 132 TYR N N 15 128.127 0.038 . 1 . . . . 497 TYR N . 26779 1 464 . 1 1 141 141 TYR C C 13 174.422 0.000 . 1 . . . . 506 TYR C . 26779 1 465 . 1 1 141 141 TYR CA C 13 55.960 0.000 . 1 . . . . 506 TYR CA . 26779 1 466 . 1 1 141 141 TYR CB C 13 44.200 0.000 . 1 . . . . 506 TYR CB . 26779 1 467 . 1 1 142 142 ILE H H 1 9.470 0.003 . 1 . . . . 507 ILE H . 26779 1 468 . 1 1 142 142 ILE C C 13 176.700 0.020 . 1 . . . . 507 ILE C . 26779 1 469 . 1 1 142 142 ILE CA C 13 56.709 0.012 . 1 . . . . 507 ILE CA . 26779 1 470 . 1 1 142 142 ILE CB C 13 37.000 0.091 . 1 . . . . 507 ILE CB . 26779 1 471 . 1 1 142 142 ILE N N 15 120.295 0.063 . 1 . . . . 507 ILE N . 26779 1 472 . 1 1 143 143 LEU H H 1 7.795 0.003 . 1 . . . . 508 LEU H . 26779 1 473 . 1 1 143 143 LEU C C 13 175.128 0.032 . 1 . . . . 508 LEU C . 26779 1 474 . 1 1 143 143 LEU CA C 13 54.213 0.001 . 1 . . . . 508 LEU CA . 26779 1 475 . 1 1 143 143 LEU CB C 13 42.087 0.027 . 1 . . . . 508 LEU CB . 26779 1 476 . 1 1 143 143 LEU N N 15 125.153 0.046 . 1 . . . . 508 LEU N . 26779 1 477 . 1 1 144 144 LYS H H 1 9.722 0.003 . 1 . . . . 509 LYS H . 26779 1 478 . 1 1 144 144 LYS C C 13 177.019 0.026 . 1 . . . . 509 LYS C . 26779 1 479 . 1 1 144 144 LYS CA C 13 58.756 0.032 . 1 . . . . 509 LYS CA . 26779 1 480 . 1 1 144 144 LYS CB C 13 32.731 0.071 . 1 . . . . 509 LYS CB . 26779 1 481 . 1 1 144 144 LYS N N 15 136.831 0.034 . 1 . . . . 509 LYS N . 26779 1 482 . 1 1 145 145 GLY H H 1 9.589 0.002 . 1 . . . . 510 GLY H . 26779 1 483 . 1 1 145 145 GLY C C 13 174.392 0.007 . 1 . . . . 510 GLY C . 26779 1 484 . 1 1 145 145 GLY CA C 13 45.528 0.002 . 1 . . . . 510 GLY CA . 26779 1 485 . 1 1 145 145 GLY N N 15 118.147 0.022 . 1 . . . . 510 GLY N . 26779 1 486 . 1 1 146 146 GLY H H 1 7.474 0.003 . 1 . . . . 511 GLY H . 26779 1 487 . 1 1 146 146 GLY C C 13 172.754 0.019 . 1 . . . . 511 GLY C . 26779 1 488 . 1 1 146 146 GLY CA C 13 45.736 0.026 . 1 . . . . 511 GLY CA . 26779 1 489 . 1 1 146 146 GLY N N 15 101.821 0.009 . 1 . . . . 511 GLY N . 26779 1 490 . 1 1 147 147 TYR H H 1 8.343 0.002 . 1 . . . . 512 TYR H . 26779 1 491 . 1 1 147 147 TYR C C 13 175.489 0.024 . 1 . . . . 512 TYR C . 26779 1 492 . 1 1 147 147 TYR CA C 13 62.976 0.003 . 1 . . . . 512 TYR CA . 26779 1 493 . 1 1 147 147 TYR CB C 13 40.172 0.074 . 1 . . . . 512 TYR CB . 26779 1 494 . 1 1 147 147 TYR N N 15 121.456 0.086 . 1 . . . . 512 TYR N . 26779 1 495 . 1 1 148 148 LYS H H 1 8.932 0.003 . 1 . . . . 513 LYS H . 26779 1 496 . 1 1 148 148 LYS C C 13 177.479 0.019 . 1 . . . . 513 LYS C . 26779 1 497 . 1 1 148 148 LYS CA C 13 59.734 0.018 . 1 . . . . 513 LYS CA . 26779 1 498 . 1 1 148 148 LYS CB C 13 31.996 0.055 . 1 . . . . 513 LYS CB . 26779 1 499 . 1 1 148 148 LYS N N 15 115.547 0.040 . 1 . . . . 513 LYS N . 26779 1 500 . 1 1 149 149 GLU H H 1 6.673 0.001 . 1 . . . . 514 GLU H . 26779 1 501 . 1 1 149 149 GLU C C 13 177.193 0.012 . 1 . . . . 514 GLU C . 26779 1 502 . 1 1 149 149 GLU CA C 13 56.700 0.016 . 1 . . . . 514 GLU CA . 26779 1 503 . 1 1 149 149 GLU CB C 13 29.638 0.031 . 1 . . . . 514 GLU CB . 26779 1 504 . 1 1 149 149 GLU N N 15 111.406 0.035 . 1 . . . . 514 GLU N . 26779 1 505 . 1 1 150 150 PHE H H 1 7.462 0.002 . 1 . . . . 515 PHE H . 26779 1 506 . 1 1 150 150 PHE C C 13 175.774 0.002 . 1 . . . . 515 PHE C . 26779 1 507 . 1 1 150 150 PHE CA C 13 62.812 0.025 . 1 . . . . 515 PHE CA . 26779 1 508 . 1 1 150 150 PHE CB C 13 41.011 0.063 . 1 . . . . 515 PHE CB . 26779 1 509 . 1 1 150 150 PHE N N 15 121.173 0.026 . 1 . . . . 515 PHE N . 26779 1 510 . 1 1 151 151 PHE H H 1 7.831 0.001 . 1 . . . . 516 PHE H . 26779 1 511 . 1 1 151 151 PHE C C 13 172.513 0.000 . 1 . . . . 516 PHE C . 26779 1 512 . 1 1 151 151 PHE CA C 13 62.129 0.000 . 1 . . . . 516 PHE CA . 26779 1 513 . 1 1 151 151 PHE CB C 13 36.002 0.000 . 1 . . . . 516 PHE CB . 26779 1 514 . 1 1 151 151 PHE N N 15 117.748 0.043 . 1 . . . . 516 PHE N . 26779 1 515 . 1 1 152 152 PRO C C 13 178.343 0.009 . 1 . . . . 517 PRO C . 26779 1 516 . 1 1 152 152 PRO CA C 13 64.671 0.023 . 1 . . . . 517 PRO CA . 26779 1 517 . 1 1 152 152 PRO CB C 13 30.264 0.000 . 1 . . . . 517 PRO CB . 26779 1 518 . 1 1 153 153 GLN H H 1 6.385 0.002 . 1 . . . . 518 GLN H . 26779 1 519 . 1 1 153 153 GLN C C 13 175.298 0.018 . 1 . . . . 518 GLN C . 26779 1 520 . 1 1 153 153 GLN CA C 13 56.805 0.013 . 1 . . . . 518 GLN CA . 26779 1 521 . 1 1 153 153 GLN CB C 13 30.382 0.001 . 1 . . . . 518 GLN CB . 26779 1 522 . 1 1 153 153 GLN N N 15 111.973 0.039 . 1 . . . . 518 GLN N . 26779 1 523 . 1 1 154 154 HIS H H 1 7.201 0.002 . 1 . . . . 519 HIS H . 26779 1 524 . 1 1 154 154 HIS C C 13 172.927 0.000 . 1 . . . . 519 HIS C . 26779 1 525 . 1 1 154 154 HIS CA C 13 53.380 0.000 . 1 . . . . 519 HIS CA . 26779 1 526 . 1 1 154 154 HIS CB C 13 30.371 0.000 . 1 . . . . 519 HIS CB . 26779 1 527 . 1 1 154 154 HIS N N 15 115.340 0.024 . 1 . . . . 519 HIS N . 26779 1 528 . 1 1 155 155 PRO C C 13 178.297 0.006 . 1 . . . . 520 PRO C . 26779 1 529 . 1 1 155 155 PRO CA C 13 66.101 0.013 . 1 . . . . 520 PRO CA . 26779 1 530 . 1 1 155 155 PRO CB C 13 30.277 0.000 . 1 . . . . 520 PRO CB . 26779 1 531 . 1 1 156 156 ASN H H 1 8.389 0.001 . 1 . . . . 521 ASN H . 26779 1 532 . 1 1 156 156 ASN C C 13 175.919 0.001 . 1 . . . . 521 ASN C . 26779 1 533 . 1 1 156 156 ASN CA C 13 54.813 0.009 . 1 . . . . 521 ASN CA . 26779 1 534 . 1 1 156 156 ASN CB C 13 36.373 0.068 . 1 . . . . 521 ASN CB . 26779 1 535 . 1 1 156 156 ASN N N 15 111.435 0.034 . 1 . . . . 521 ASN N . 26779 1 536 . 1 1 157 157 PHE H H 1 8.000 0.001 . 1 . . . . 522 PHE H . 26779 1 537 . 1 1 157 157 PHE C C 13 173.105 0.019 . 1 . . . . 522 PHE C . 26779 1 538 . 1 1 157 157 PHE CA C 13 59.410 0.023 . 1 . . . . 522 PHE CA . 26779 1 539 . 1 1 157 157 PHE CB C 13 39.088 0.008 . 1 . . . . 522 PHE CB . 26779 1 540 . 1 1 157 157 PHE N N 15 117.888 0.032 . 1 . . . . 522 PHE N . 26779 1 541 . 1 1 158 158 CYS H H 1 7.795 0.001 . 1 . . . . 523 CYS H . 26779 1 542 . 1 1 158 158 CYS C C 13 172.596 0.013 . 1 . . . . 523 CYS C . 26779 1 543 . 1 1 158 158 CYS CA C 13 58.701 0.035 . 1 . . . . 523 CYS CA . 26779 1 544 . 1 1 158 158 CYS CB C 13 31.551 0.025 . 1 . . . . 523 CYS CB . 26779 1 545 . 1 1 158 158 CYS N N 15 119.448 0.037 . 1 . . . . 523 CYS N . 26779 1 546 . 1 1 159 159 GLU H H 1 9.355 0.002 . 1 . . . . 524 GLU H . 26779 1 547 . 1 1 159 159 GLU C C 13 175.819 0.000 . 1 . . . . 524 GLU C . 26779 1 548 . 1 1 159 159 GLU CA C 13 54.099 0.000 . 1 . . . . 524 GLU CA . 26779 1 549 . 1 1 159 159 GLU CB C 13 33.499 0.000 . 1 . . . . 524 GLU CB . 26779 1 550 . 1 1 159 159 GLU N N 15 122.118 0.053 . 1 . . . . 524 GLU N . 26779 1 551 . 1 1 160 160 PRO C C 13 175.935 0.005 . 1 . . . . 525 PRO C . 26779 1 552 . 1 1 160 160 PRO CA C 13 63.463 0.004 . 1 . . . . 525 PRO CA . 26779 1 553 . 1 1 160 160 PRO CB C 13 33.856 0.018 . 1 . . . . 525 PRO CB . 26779 1 554 . 1 1 161 161 GLN H H 1 8.556 0.002 . 1 . . . . 526 GLN H . 26779 1 555 . 1 1 161 161 GLN C C 13 173.852 0.032 . 1 . . . . 526 GLN C . 26779 1 556 . 1 1 161 161 GLN CA C 13 55.333 0.018 . 1 . . . . 526 GLN CA . 26779 1 557 . 1 1 161 161 GLN CB C 13 25.949 0.015 . 1 . . . . 526 GLN CB . 26779 1 558 . 1 1 161 161 GLN N N 15 119.242 0.034 . 1 . . . . 526 GLN N . 26779 1 559 . 1 1 162 162 ASP H H 1 8.066 0.001 . 1 . . . . 527 ASP H . 26779 1 560 . 1 1 162 162 ASP C C 13 172.000 0.001 . 1 . . . . 527 ASP C . 26779 1 561 . 1 1 162 162 ASP CA C 13 52.156 0.028 . 1 . . . . 527 ASP CA . 26779 1 562 . 1 1 162 162 ASP CB C 13 43.134 0.047 . 1 . . . . 527 ASP CB . 26779 1 563 . 1 1 162 162 ASP N N 15 123.806 0.045 . 1 . . . . 527 ASP N . 26779 1 564 . 1 1 163 163 TYR H H 1 9.089 0.002 . 1 . . . . 528 TYR H . 26779 1 565 . 1 1 163 163 TYR C C 13 172.766 0.000 . 1 . . . . 528 TYR C . 26779 1 566 . 1 1 163 163 TYR CA C 13 54.343 0.021 . 1 . . . . 528 TYR CA . 26779 1 567 . 1 1 163 163 TYR CB C 13 40.432 0.044 . 1 . . . . 528 TYR CB . 26779 1 568 . 1 1 163 163 TYR N N 15 120.207 0.041 . 1 . . . . 528 TYR N . 26779 1 569 . 1 1 164 164 ARG H H 1 9.166 0.001 . 1 . . . . 529 ARG H . 26779 1 570 . 1 1 164 164 ARG C C 13 171.861 0.000 . 1 . . . . 529 ARG C . 26779 1 571 . 1 1 164 164 ARG CA C 13 52.125 0.000 . 1 . . . . 529 ARG CA . 26779 1 572 . 1 1 164 164 ARG CB C 13 32.672 0.000 . 1 . . . . 529 ARG CB . 26779 1 573 . 1 1 164 164 ARG N N 15 133.746 0.044 . 1 . . . . 529 ARG N . 26779 1 574 . 1 1 165 165 PRO C C 13 176.245 0.002 . 1 . . . . 530 PRO C . 26779 1 575 . 1 1 165 165 PRO CA C 13 62.551 0.011 . 1 . . . . 530 PRO CA . 26779 1 576 . 1 1 165 165 PRO CB C 13 33.347 0.029 . 1 . . . . 530 PRO CB . 26779 1 577 . 1 1 166 166 MET H H 1 8.394 0.003 . 1 . . . . 531 MET H . 26779 1 578 . 1 1 166 166 MET C C 13 179.915 0.003 . 1 . . . . 531 MET C . 26779 1 579 . 1 1 166 166 MET CA C 13 59.700 0.017 . 1 . . . . 531 MET CA . 26779 1 580 . 1 1 166 166 MET CB C 13 33.669 0.007 . 1 . . . . 531 MET CB . 26779 1 581 . 1 1 166 166 MET N N 15 122.568 0.042 . 1 . . . . 531 MET N . 26779 1 582 . 1 1 167 167 ASN H H 1 8.582 0.001 . 1 . . . . 532 ASN H . 26779 1 583 . 1 1 167 167 ASN C C 13 174.423 0.006 . 1 . . . . 532 ASN C . 26779 1 584 . 1 1 167 167 ASN CA C 13 52.971 0.013 . 1 . . . . 532 ASN CA . 26779 1 585 . 1 1 167 167 ASN CB C 13 37.576 0.003 . 1 . . . . 532 ASN CB . 26779 1 586 . 1 1 167 167 ASN N N 15 113.961 0.022 . 1 . . . . 532 ASN N . 26779 1 587 . 1 1 168 168 HIS H H 1 7.576 0.002 . 1 . . . . 533 HIS H . 26779 1 588 . 1 1 168 168 HIS C C 13 179.002 0.018 . 1 . . . . 533 HIS C . 26779 1 589 . 1 1 168 168 HIS CA C 13 59.687 0.001 . 1 . . . . 533 HIS CA . 26779 1 590 . 1 1 168 168 HIS CB C 13 31.491 0.038 . 1 . . . . 533 HIS CB . 26779 1 591 . 1 1 168 168 HIS N N 15 120.528 0.048 . 1 . . . . 533 HIS N . 26779 1 592 . 1 1 169 169 GLU H H 1 8.943 0.001 . 1 . . . . 534 GLU H . 26779 1 593 . 1 1 169 169 GLU C C 13 177.594 0.000 . 1 . . . . 534 GLU C . 26779 1 594 . 1 1 169 169 GLU CA C 13 59.606 0.000 . 1 . . . . 534 GLU CA . 26779 1 595 . 1 1 169 169 GLU CB C 13 29.416 0.000 . 1 . . . . 534 GLU CB . 26779 1 596 . 1 1 169 169 GLU N N 15 130.121 0.036 . 1 . . . . 534 GLU N . 26779 1 597 . 1 1 170 170 ALA C C 13 178.120 0.032 . 1 . . . . 535 ALA C . 26779 1 598 . 1 1 170 170 ALA CA C 13 53.120 0.039 . 1 . . . . 535 ALA CA . 26779 1 599 . 1 1 170 170 ALA CB C 13 18.209 0.047 . 1 . . . . 535 ALA CB . 26779 1 600 . 1 1 171 171 PHE H H 1 7.874 0.001 . 1 . . . . 536 PHE H . 26779 1 601 . 1 1 171 171 PHE C C 13 174.807 0.017 . 1 . . . . 536 PHE C . 26779 1 602 . 1 1 171 171 PHE CA C 13 57.917 0.010 . 1 . . . . 536 PHE CA . 26779 1 603 . 1 1 171 171 PHE CB C 13 39.546 0.046 . 1 . . . . 536 PHE CB . 26779 1 604 . 1 1 171 171 PHE N N 15 117.200 0.034 . 1 . . . . 536 PHE N . 26779 1 605 . 1 1 172 172 LYS H H 1 7.261 0.002 . 1 . . . . 537 LYS H . 26779 1 606 . 1 1 172 172 LYS C C 13 179.381 0.088 . 1 . . . . 537 LYS C . 26779 1 607 . 1 1 172 172 LYS CA C 13 59.894 0.007 . 1 . . . . 537 LYS CA . 26779 1 608 . 1 1 172 172 LYS CB C 13 32.091 0.013 . 1 . . . . 537 LYS CB . 26779 1 609 . 1 1 172 172 LYS N N 15 119.408 0.028 . 1 . . . . 537 LYS N . 26779 1 610 . 1 1 173 173 ASP H H 1 8.708 0.001 . 1 . . . . 538 ASP H . 26779 1 611 . 1 1 173 173 ASP C C 13 178.543 0.019 . 1 . . . . 538 ASP C . 26779 1 612 . 1 1 173 173 ASP CA C 13 57.548 0.020 . 1 . . . . 538 ASP CA . 26779 1 613 . 1 1 173 173 ASP CB C 13 40.087 0.049 . 1 . . . . 538 ASP CB . 26779 1 614 . 1 1 173 173 ASP N N 15 119.846 0.036 . 1 . . . . 538 ASP N . 26779 1 615 . 1 1 174 174 GLU H H 1 8.121 0.001 . 1 . . . . 539 GLU H . 26779 1 616 . 1 1 174 174 GLU C C 13 179.112 0.028 . 1 . . . . 539 GLU C . 26779 1 617 . 1 1 174 174 GLU CA C 13 59.919 0.021 . 1 . . . . 539 GLU CA . 26779 1 618 . 1 1 174 174 GLU CB C 13 29.273 0.009 . 1 . . . . 539 GLU CB . 26779 1 619 . 1 1 174 174 GLU N N 15 123.371 0.029 . 1 . . . . 539 GLU N . 26779 1 620 . 1 1 175 175 LEU H H 1 8.401 0.003 . 1 . . . . 540 LEU H . 26779 1 621 . 1 1 175 175 LEU C C 13 178.351 0.013 . 1 . . . . 540 LEU C . 26779 1 622 . 1 1 175 175 LEU CA C 13 58.979 0.027 . 1 . . . . 540 LEU CA . 26779 1 623 . 1 1 175 175 LEU CB C 13 40.110 0.000 . 1 . . . . 540 LEU CB . 26779 1 624 . 1 1 175 175 LEU N N 15 122.123 0.022 . 1 . . . . 540 LEU N . 26779 1 625 . 1 1 176 176 LYS H H 1 7.790 0.001 . 1 . . . . 541 LYS H . 26779 1 626 . 1 1 176 176 LYS C C 13 179.196 0.007 . 1 . . . . 541 LYS C . 26779 1 627 . 1 1 176 176 LYS CA C 13 59.959 0.023 . 1 . . . . 541 LYS CA . 26779 1 628 . 1 1 176 176 LYS CB C 13 31.794 0.024 . 1 . . . . 541 LYS CB . 26779 1 629 . 1 1 176 176 LYS N N 15 118.000 0.032 . 1 . . . . 541 LYS N . 26779 1 630 . 1 1 177 177 THR H H 1 8.033 0.001 . 1 . . . . 542 THR H . 26779 1 631 . 1 1 177 177 THR C C 13 176.621 0.009 . 1 . . . . 542 THR C . 26779 1 632 . 1 1 177 177 THR CA C 13 66.303 0.022 . 1 . . . . 542 THR CA . 26779 1 633 . 1 1 177 177 THR CB C 13 68.715 0.093 . 1 . . . . 542 THR CB . 26779 1 634 . 1 1 177 177 THR N N 15 114.327 0.031 . 1 . . . . 542 THR N . 26779 1 635 . 1 1 178 178 PHE H H 1 8.490 0.002 . 1 . . . . 543 PHE H . 26779 1 636 . 1 1 178 178 PHE C C 13 178.687 0.022 . 1 . . . . 543 PHE C . 26779 1 637 . 1 1 178 178 PHE CA C 13 63.250 0.012 . 1 . . . . 543 PHE CA . 26779 1 638 . 1 1 178 178 PHE CB C 13 37.904 0.032 . 1 . . . . 543 PHE CB . 26779 1 639 . 1 1 178 178 PHE N N 15 121.559 0.035 . 1 . . . . 543 PHE N . 26779 1 640 . 1 1 179 179 ARG H H 1 8.691 0.002 . 1 . . . . 544 ARG H . 26779 1 641 . 1 1 179 179 ARG C C 13 178.679 0.044 . 1 . . . . 544 ARG C . 26779 1 642 . 1 1 179 179 ARG CA C 13 59.547 0.014 . 1 . . . . 544 ARG CA . 26779 1 643 . 1 1 179 179 ARG CB C 13 29.627 0.063 . 1 . . . . 544 ARG CB . 26779 1 644 . 1 1 179 179 ARG N N 15 120.195 0.027 . 1 . . . . 544 ARG N . 26779 1 645 . 1 1 180 180 LEU H H 1 7.641 0.003 . 1 . . . . 545 LEU H . 26779 1 646 . 1 1 180 180 LEU C C 13 179.426 0.035 . 1 . . . . 545 LEU C . 26779 1 647 . 1 1 180 180 LEU CA C 13 57.408 0.009 . 1 . . . . 545 LEU CA . 26779 1 648 . 1 1 180 180 LEU CB C 13 41.388 0.024 . 1 . . . . 545 LEU CB . 26779 1 649 . 1 1 180 180 LEU N N 15 119.137 0.025 . 1 . . . . 545 LEU N . 26779 1 650 . 1 1 181 181 LYS H H 1 7.887 0.002 . 1 . . . . 546 LYS H . 26779 1 651 . 1 1 181 181 LYS C C 13 177.817 0.017 . 1 . . . . 546 LYS C . 26779 1 652 . 1 1 181 181 LYS CA C 13 58.214 0.010 . 1 . . . . 546 LYS CA . 26779 1 653 . 1 1 181 181 LYS CB C 13 32.727 0.022 . 1 . . . . 546 LYS CB . 26779 1 654 . 1 1 181 181 LYS N N 15 118.225 0.024 . 1 . . . . 546 LYS N . 26779 1 655 . 1 1 182 182 THR H H 1 7.681 0.003 . 1 . . . . 547 THR H . 26779 1 656 . 1 1 182 182 THR C C 13 174.807 0.011 . 1 . . . . 547 THR C . 26779 1 657 . 1 1 182 182 THR CA C 13 62.596 0.013 . 1 . . . . 547 THR CA . 26779 1 658 . 1 1 182 182 THR CB C 13 70.006 0.023 . 1 . . . . 547 THR CB . 26779 1 659 . 1 1 182 182 THR N N 15 110.026 0.054 . 1 . . . . 547 THR N . 26779 1 660 . 1 1 183 183 ARG H H 1 7.857 0.001 . 1 . . . . 548 ARG H . 26779 1 661 . 1 1 183 183 ARG C C 13 176.749 0.061 . 1 . . . . 548 ARG C . 26779 1 662 . 1 1 183 183 ARG CA C 13 56.917 0.010 . 1 . . . . 548 ARG CA . 26779 1 663 . 1 1 183 183 ARG CB C 13 29.920 0.025 . 1 . . . . 548 ARG CB . 26779 1 664 . 1 1 183 183 ARG N N 15 121.678 0.045 . 1 . . . . 548 ARG N . 26779 1 665 . 1 1 184 184 SER H H 1 8.276 0.001 . 1 . . . . 549 SER H . 26779 1 666 . 1 1 184 184 SER C C 13 174.711 0.072 . 1 . . . . 549 SER C . 26779 1 667 . 1 1 184 184 SER CA C 13 59.031 0.043 . 1 . . . . 549 SER CA . 26779 1 668 . 1 1 184 184 SER CB C 13 63.883 0.051 . 1 . . . . 549 SER CB . 26779 1 669 . 1 1 184 184 SER N N 15 116.071 0.054 . 1 . . . . 549 SER N . 26779 1 670 . 1 1 185 185 TRP H H 1 8.183 0.002 . 1 . . . . 550 TRP H . 26779 1 671 . 1 1 185 185 TRP C C 13 176.162 0.016 . 1 . . . . 550 TRP C . 26779 1 672 . 1 1 185 185 TRP CA C 13 57.771 0.005 . 1 . . . . 550 TRP CA . 26779 1 673 . 1 1 185 185 TRP CB C 13 29.792 0.025 . 1 . . . . 550 TRP CB . 26779 1 674 . 1 1 185 185 TRP N N 15 123.320 0.032 . 1 . . . . 550 TRP N . 26779 1 675 . 1 1 186 186 ALA H H 1 8.173 0.002 . 1 . . . . 551 ALA H . 26779 1 676 . 1 1 186 186 ALA C C 13 178.168 0.025 . 1 . . . . 551 ALA C . 26779 1 677 . 1 1 186 186 ALA CA C 13 53.003 0.009 . 1 . . . . 551 ALA CA . 26779 1 678 . 1 1 186 186 ALA CB C 13 18.864 0.061 . 1 . . . . 551 ALA CB . 26779 1 679 . 1 1 186 186 ALA N N 15 125.357 0.050 . 1 . . . . 551 ALA N . 26779 1 680 . 1 1 187 187 GLY H H 1 7.679 0.002 . 1 . . . . 552 GLY H . 26779 1 681 . 1 1 187 187 GLY C C 13 174.312 0.004 . 1 . . . . 552 GLY C . 26779 1 682 . 1 1 187 187 GLY CA C 13 45.379 0.010 . 1 . . . . 552 GLY CA . 26779 1 683 . 1 1 187 187 GLY N N 15 107.027 0.029 . 1 . . . . 552 GLY N . 26779 1 684 . 1 1 188 188 GLU H H 1 8.225 0.001 . 1 . . . . 553 GLU H . 26779 1 685 . 1 1 188 188 GLU C C 13 177.106 0.000 . 1 . . . . 553 GLU C . 26779 1 686 . 1 1 188 188 GLU CA C 13 57.032 0.057 . 1 . . . . 553 GLU CA . 26779 1 687 . 1 1 188 188 GLU CB C 13 29.909 0.061 . 1 . . . . 553 GLU CB . 26779 1 688 . 1 1 188 188 GLU N N 15 121.012 0.034 . 1 . . . . 553 GLU N . 26779 1 689 . 1 1 189 189 ARG H H 1 8.390 0.002 . 1 . . . . 554 ARG H . 26779 1 690 . 1 1 189 189 ARG C C 13 176.842 0.065 . 1 . . . . 554 ARG C . 26779 1 691 . 1 1 189 189 ARG CA C 13 56.962 0.036 . 1 . . . . 554 ARG CA . 26779 1 692 . 1 1 189 189 ARG CB C 13 29.943 0.032 . 1 . . . . 554 ARG CB . 26779 1 693 . 1 1 189 189 ARG N N 15 121.475 0.037 . 1 . . . . 554 ARG N . 26779 1 694 . 1 1 190 190 SER H H 1 8.233 0.004 . 1 . . . . 555 SER H . 26779 1 695 . 1 1 190 190 SER C C 13 174.877 0.000 . 1 . . . . 555 SER C . 26779 1 696 . 1 1 190 190 SER CA C 13 59.098 0.011 . 1 . . . . 555 SER CA . 26779 1 697 . 1 1 190 190 SER CB C 13 63.898 0.063 . 1 . . . . 555 SER CB . 26779 1 698 . 1 1 190 190 SER N N 15 116.064 0.048 . 1 . . . . 555 SER N . 26779 1 699 . 1 1 191 191 ARG H H 1 8.261 0.001 . 1 . . . . 556 ARG H . 26779 1 700 . 1 1 191 191 ARG C C 13 176.794 0.043 . 1 . . . . 556 ARG C . 26779 1 701 . 1 1 191 191 ARG CA C 13 56.839 0.010 . 1 . . . . 556 ARG CA . 26779 1 702 . 1 1 191 191 ARG CB C 13 29.935 0.003 . 1 . . . . 556 ARG CB . 26779 1 703 . 1 1 191 191 ARG N N 15 122.620 0.021 . 1 . . . . 556 ARG N . 26779 1 704 . 1 1 192 192 ARG H H 1 8.250 0.001 . 1 . . . . 557 ARG H . 26779 1 705 . 1 1 192 192 ARG C C 13 176.829 0.011 . 1 . . . . 557 ARG C . 26779 1 706 . 1 1 192 192 ARG CA C 13 56.953 0.000 . 1 . . . . 557 ARG CA . 26779 1 707 . 1 1 192 192 ARG CB C 13 30.144 0.009 . 1 . . . . 557 ARG CB . 26779 1 708 . 1 1 192 192 ARG N N 15 121.323 0.030 . 1 . . . . 557 ARG N . 26779 1 709 . 1 1 193 193 GLU H H 1 8.379 0.002 . 1 . . . . 558 GLU H . 26779 1 710 . 1 1 193 193 GLU C C 13 176.783 0.041 . 1 . . . . 558 GLU C . 26779 1 711 . 1 1 193 193 GLU CA C 13 57.012 0.017 . 1 . . . . 558 GLU CA . 26779 1 712 . 1 1 193 193 GLU CB C 13 29.771 0.077 . 1 . . . . 558 GLU CB . 26779 1 713 . 1 1 193 193 GLU N N 15 121.106 0.089 . 1 . . . . 558 GLU N . 26779 1 714 . 1 1 194 194 LEU H H 1 8.197 0.001 . 1 . . . . 559 LEU H . 26779 1 715 . 1 1 194 194 LEU C C 13 177.552 0.038 . 1 . . . . 559 LEU C . 26779 1 716 . 1 1 194 194 LEU CA C 13 55.783 0.003 . 1 . . . . 559 LEU CA . 26779 1 717 . 1 1 194 194 LEU CB C 13 41.634 0.057 . 1 . . . . 559 LEU CB . 26779 1 718 . 1 1 194 194 LEU N N 15 122.329 0.048 . 1 . . . . 559 LEU N . 26779 1 719 . 1 1 195 195 CYS H H 1 8.252 0.002 . 1 . . . . 560 CYS H . 26779 1 720 . 1 1 195 195 CYS C C 13 174.848 0.008 . 1 . . . . 560 CYS C . 26779 1 721 . 1 1 195 195 CYS CA C 13 59.087 0.011 . 1 . . . . 560 CYS CA . 26779 1 722 . 1 1 195 195 CYS CB C 13 28.286 0.045 . 1 . . . . 560 CYS CB . 26779 1 723 . 1 1 195 195 CYS N N 15 119.162 0.067 . 1 . . . . 560 CYS N . 26779 1 724 . 1 1 196 196 SER H H 1 8.320 0.002 . 1 . . . . 561 SER H . 26779 1 725 . 1 1 196 196 SER C C 13 174.528 0.000 . 1 . . . . 561 SER C . 26779 1 726 . 1 1 196 196 SER CA C 13 59.007 0.051 . 1 . . . . 561 SER CA . 26779 1 727 . 1 1 196 196 SER CB C 13 63.721 0.000 . 1 . . . . 561 SER CB . 26779 1 728 . 1 1 196 196 SER N N 15 118.209 0.068 . 1 . . . . 561 SER N . 26779 1 729 . 1 1 197 197 ARG H H 1 8.299 0.001 . 1 . . . . 562 ARG H . 26779 1 730 . 1 1 197 197 ARG C C 13 176.383 0.019 . 1 . . . . 562 ARG C . 26779 1 731 . 1 1 197 197 ARG CA C 13 56.390 0.020 . 1 . . . . 562 ARG CA . 26779 1 732 . 1 1 197 197 ARG CB C 13 30.196 0.030 . 1 . . . . 562 ARG CB . 26779 1 733 . 1 1 197 197 ARG N N 15 122.700 0.018 . 1 . . . . 562 ARG N . 26779 1 734 . 1 1 198 198 LEU H H 1 8.241 0.001 . 1 . . . . 563 LEU H . 26779 1 735 . 1 1 198 198 LEU C C 13 177.446 0.020 . 1 . . . . 563 LEU C . 26779 1 736 . 1 1 198 198 LEU CA C 13 55.633 0.031 . 1 . . . . 563 LEU CA . 26779 1 737 . 1 1 198 198 LEU CB C 13 41.678 0.015 . 1 . . . . 563 LEU CB . 26779 1 738 . 1 1 198 198 LEU N N 15 122.860 0.041 . 1 . . . . 563 LEU N . 26779 1 739 . 1 1 199 199 GLN H H 1 8.305 0.001 . 1 . . . . 564 GLN H . 26779 1 740 . 1 1 199 199 GLN C C 13 175.621 0.006 . 1 . . . . 564 GLN C . 26779 1 741 . 1 1 199 199 GLN CA C 13 56.073 0.054 . 1 . . . . 564 GLN CA . 26779 1 742 . 1 1 199 199 GLN CB C 13 29.235 0.019 . 1 . . . . 564 GLN CB . 26779 1 743 . 1 1 199 199 GLN N N 15 119.912 0.019 . 1 . . . . 564 GLN N . 26779 1 744 . 1 1 200 200 ASP H H 1 8.309 0.001 . 1 . . . . 565 ASP H . 26779 1 745 . 1 1 200 200 ASP C C 13 175.197 0.020 . 1 . . . . 565 ASP C . 26779 1 746 . 1 1 200 200 ASP CA C 13 54.830 0.010 . 1 . . . . 565 ASP CA . 26779 1 747 . 1 1 200 200 ASP CB C 13 40.995 0.024 . 1 . . . . 565 ASP CB . 26779 1 748 . 1 1 200 200 ASP N N 15 121.447 0.021 . 1 . . . . 565 ASP N . 26779 1 749 . 1 1 201 201 GLN H H 1 7.833 0.001 . 1 . . . . 566 GLN H . 26779 1 750 . 1 1 201 201 GLN C C 13 180.590 0.000 . 1 . . . . 566 GLN C . 26779 1 751 . 1 1 201 201 GLN CA C 13 57.430 0.000 . 1 . . . . 566 GLN CA . 26779 1 752 . 1 1 201 201 GLN CB C 13 30.226 0.000 . 1 . . . . 566 GLN CB . 26779 1 753 . 1 1 201 201 GLN N N 15 124.592 0.026 . 1 . . . . 566 GLN N . 26779 1 stop_ save_