################################### # 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 51797 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'extended C-terminal domain of Tetrahymena telomerase protein p65' _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' . . . 51797 1 2 '3D HNCACB' . . . 51797 1 3 '3D CBCACONH' . . . 51797 1 4 '3D HNCA' . . . 51797 1 5 '3D C(CO)NH' . . . 51797 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 3 $software_3 . . 51797 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 5 5 LYS CA C 13 56.611 0.089 . . . . . . . 356 K CA . 51797 1 2 . 1 . 1 5 5 LYS CB C 13 33.053 0.000 . . . . . . . 356 K CB . 51797 1 3 . 1 . 1 6 6 ASN H H 1 8.488 0.004 . . . . . . . 357 N H . 51797 1 4 . 1 . 1 6 6 ASN CA C 13 53.273 0.000 . . . . . . . 357 N CA . 51797 1 5 . 1 . 1 6 6 ASN CB C 13 38.938 0.000 . . . . . . . 357 N CB . 51797 1 6 . 1 . 1 6 6 ASN N N 15 119.573 0.079 . . . . . . . 357 N N . 51797 1 7 . 1 . 1 7 7 MET H H 1 8.376 0.000 . . . . . . . 358 M H . 51797 1 8 . 1 . 1 7 7 MET CA C 13 55.801 0.064 . . . . . . . 358 M CA . 51797 1 9 . 1 . 1 7 7 MET CB C 13 32.607 0.000 . . . . . . . 358 M CB . 51797 1 10 . 1 . 1 7 7 MET N N 15 122.090 0.003 . . . . . . . 358 M N . 51797 1 11 . 1 . 1 8 8 ASN H H 1 8.471 0.004 . . . . . . . 359 N H . 51797 1 12 . 1 . 1 8 8 ASN CA C 13 53.526 0.001 . . . . . . . 359 N CA . 51797 1 13 . 1 . 1 8 8 ASN CB C 13 38.767 0.056 . . . . . . . 359 N CB . 51797 1 14 . 1 . 1 8 8 ASN N N 15 119.603 0.044 . . . . . . . 359 N N . 51797 1 15 . 1 . 1 9 9 GLN H H 1 8.352 0.002 . . . . . . . 360 Q H . 51797 1 16 . 1 . 1 9 9 GLN CA C 13 56.032 0.109 . . . . . . . 360 Q CA . 51797 1 17 . 1 . 1 9 9 GLN CB C 13 29.526 0.089 . . . . . . . 360 Q CB . 51797 1 18 . 1 . 1 9 9 GLN N N 15 120.787 0.068 . . . . . . . 360 Q N . 51797 1 19 . 1 . 1 10 10 SER H H 1 8.354 0.003 . . . . . . . 361 S H . 51797 1 20 . 1 . 1 10 10 SER CA C 13 58.661 0.137 . . . . . . . 361 S CA . 51797 1 21 . 1 . 1 10 10 SER CB C 13 63.710 0.063 . . . . . . . 361 S CB . 51797 1 22 . 1 . 1 10 10 SER N N 15 116.998 0.051 . . . . . . . 361 S N . 51797 1 23 . 1 . 1 11 11 ARG H H 1 8.327 0.004 . . . . . . . 362 R H . 51797 1 24 . 1 . 1 11 11 ARG CA C 13 56.011 0.056 . . . . . . . 362 R CA . 51797 1 25 . 1 . 1 11 11 ARG CB C 13 30.886 0.032 . . . . . . . 362 R CB . 51797 1 26 . 1 . 1 11 11 ARG CD C 13 43.395 0.000 . . . . . . . 362 R CD . 51797 1 27 . 1 . 1 11 11 ARG N N 15 123.139 0.049 . . . . . . . 362 R N . 51797 1 28 . 1 . 1 12 12 LYS H H 1 8.392 0.002 . . . . . . . 363 K H . 51797 1 29 . 1 . 1 12 12 LYS CA C 13 56.165 0.083 . . . . . . . 363 K CA . 51797 1 30 . 1 . 1 12 12 LYS CB C 13 33.287 0.021 . . . . . . . 363 K CB . 51797 1 31 . 1 . 1 12 12 LYS N N 15 123.119 0.054 . . . . . . . 363 K N . 51797 1 32 . 1 . 1 13 13 ALA H H 1 8.477 0.002 . . . . . . . 364 A H . 51797 1 33 . 1 . 1 13 13 ALA CA C 13 52.962 0.091 . . . . . . . 364 A CA . 51797 1 34 . 1 . 1 13 13 ALA CB C 13 19.189 0.051 . . . . . . . 364 A CB . 51797 1 35 . 1 . 1 13 13 ALA N N 15 125.981 0.035 . . . . . . . 364 A N . 51797 1 36 . 1 . 1 14 14 SER H H 1 8.254 0.002 . . . . . . . 365 S H . 51797 1 37 . 1 . 1 14 14 SER CA C 13 58.668 0.090 . . . . . . . 365 S CA . 51797 1 38 . 1 . 1 14 14 SER CB C 13 63.684 0.078 . . . . . . . 365 S CB . 51797 1 39 . 1 . 1 14 14 SER N N 15 114.205 0.035 . . . . . . . 365 S N . 51797 1 40 . 1 . 1 15 15 ASP H H 1 8.240 0.002 . . . . . . . 366 D H . 51797 1 41 . 1 . 1 15 15 ASP CA C 13 54.701 0.127 . . . . . . . 366 D CA . 51797 1 42 . 1 . 1 15 15 ASP CB C 13 41.140 0.051 . . . . . . . 366 D CB . 51797 1 43 . 1 . 1 15 15 ASP N N 15 122.228 0.033 . . . . . . . 366 D N . 51797 1 44 . 1 . 1 16 16 GLU H H 1 8.169 0.002 . . . . . . . 367 E H . 51797 1 45 . 1 . 1 16 16 GLU CA C 13 56.954 0.024 . . . . . . . 367 E CA . 51797 1 46 . 1 . 1 16 16 GLU CB C 13 30.304 0.069 . . . . . . . 367 E CB . 51797 1 47 . 1 . 1 16 16 GLU N N 15 120.361 0.081 . . . . . . . 367 E N . 51797 1 48 . 1 . 1 17 17 PHE H H 1 8.160 0.003 . . . . . . . 368 F H . 51797 1 49 . 1 . 1 17 17 PHE CA C 13 57.753 0.025 . . . . . . . 368 F CA . 51797 1 50 . 1 . 1 17 17 PHE N N 15 120.376 0.086 . . . . . . . 368 F N . 51797 1 51 . 1 . 1 18 18 VAL H H 1 8.351 0.004 . . . . . . . 369 V H . 51797 1 52 . 1 . 1 18 18 VAL CA C 13 61.941 0.188 . . . . . . . 369 V CA . 51797 1 53 . 1 . 1 18 18 VAL CB C 13 32.813 0.136 . . . . . . . 369 V CB . 51797 1 54 . 1 . 1 18 18 VAL N N 15 120.879 0.154 . . . . . . . 369 V N . 51797 1 55 . 1 . 1 19 19 SER H H 1 8.234 0.003 . . . . . . . 370 S H . 51797 1 56 . 1 . 1 19 19 SER CA C 13 58.076 0.123 . . . . . . . 370 S CA . 51797 1 57 . 1 . 1 19 19 SER CB C 13 63.828 0.110 . . . . . . . 370 S CB . 51797 1 58 . 1 . 1 19 19 SER N N 15 119.187 0.047 . . . . . . . 370 S N . 51797 1 59 . 1 . 1 20 20 ILE H H 1 8.170 0.002 . . . . . . . 371 I H . 51797 1 60 . 1 . 1 20 20 ILE CA C 13 61.117 0.038 . . . . . . . 371 I CA . 51797 1 61 . 1 . 1 20 20 ILE CB C 13 39.034 0.098 . . . . . . . 371 I CB . 51797 1 62 . 1 . 1 20 20 ILE N N 15 122.166 0.079 . . . . . . . 371 I N . 51797 1 63 . 1 . 1 21 21 ASP H H 1 8.312 0.002 . . . . . . . 372 D H . 51797 1 64 . 1 . 1 21 21 ASP CA C 13 54.287 0.019 . . . . . . . 372 D CA . 51797 1 65 . 1 . 1 21 21 ASP CB C 13 41.410 0.000 . . . . . . . 372 D CB . 51797 1 66 . 1 . 1 21 21 ASP N N 15 123.982 0.072 . . . . . . . 372 D N . 51797 1 67 . 1 . 1 22 22 VAL CA C 13 61.700 0.125 . . . . . . . 373 V CA . 51797 1 68 . 1 . 1 22 22 VAL CB C 13 32.974 0.000 . . . . . . . 373 V CB . 51797 1 69 . 1 . 1 23 23 GLU H H 1 8.252 0.002 . . . . . . . 374 E H . 51797 1 70 . 1 . 1 23 23 GLU CA C 13 55.893 0.068 . . . . . . . 374 E CA . 51797 1 71 . 1 . 1 23 23 GLU CB C 13 30.268 0.131 . . . . . . . 374 E CB . 51797 1 72 . 1 . 1 23 23 GLU N N 15 124.833 0.077 . . . . . . . 374 E N . 51797 1 73 . 1 . 1 24 24 ILE H H 1 7.925 0.004 . . . . . . . 375 I H . 51797 1 74 . 1 . 1 24 24 ILE CA C 13 61.898 0.047 . . . . . . . 375 I CA . 51797 1 75 . 1 . 1 24 24 ILE CB C 13 38.091 0.000 . . . . . . . 375 I CB . 51797 1 76 . 1 . 1 24 24 ILE N N 15 122.904 0.070 . . . . . . . 375 I N . 51797 1 77 . 1 . 1 25 25 LYS H H 1 6.024 0.002 . . . . . . . 376 K H . 51797 1 78 . 1 . 1 25 25 LYS CA C 13 54.551 0.058 . . . . . . . 376 K CA . 51797 1 79 . 1 . 1 25 25 LYS CB C 13 33.671 0.000 . . . . . . . 376 K CB . 51797 1 80 . 1 . 1 25 25 LYS N N 15 126.143 0.003 . . . . . . . 376 K N . 51797 1 81 . 1 . 1 26 26 GLN H H 1 8.472 0.002 . . . . . . . 377 Q H . 51797 1 82 . 1 . 1 26 26 GLN CA C 13 56.480 0.080 . . . . . . . 377 Q CA . 51797 1 83 . 1 . 1 26 26 GLN CB C 13 30.240 0.000 . . . . . . . 377 Q CB . 51797 1 84 . 1 . 1 26 26 GLN N N 15 122.032 0.049 . . . . . . . 377 Q N . 51797 1 85 . 1 . 1 27 27 ASN H H 1 9.551 0.007 . . . . . . . 378 N H . 51797 1 86 . 1 . 1 27 27 ASN CA C 13 55.051 0.000 . . . . . . . 378 N CA . 51797 1 87 . 1 . 1 27 27 ASN N N 15 117.599 0.045 . . . . . . . 378 N N . 51797 1 88 . 1 . 1 28 28 CYS H H 1 8.451 0.001 . . . . . . . 379 C H . 51797 1 89 . 1 . 1 28 28 CYS CA C 13 59.942 0.000 . . . . . . . 379 C CA . 51797 1 90 . 1 . 1 28 28 CYS N N 15 109.213 0.008 . . . . . . . 379 C N . 51797 1 91 . 1 . 1 29 29 LEU CA C 13 54.226 0.000 . . . . . . . 380 L CA . 51797 1 92 . 1 . 1 30 30 ILE H H 1 8.752 0.003 . . . . . . . 381 I H . 51797 1 93 . 1 . 1 30 30 ILE CA C 13 61.474 0.059 . . . . . . . 381 I CA . 51797 1 94 . 1 . 1 30 30 ILE N N 15 111.825 0.047 . . . . . . . 381 I N . 51797 1 95 . 1 . 1 31 31 LYS H H 1 8.654 0.003 . . . . . . . 382 K H . 51797 1 96 . 1 . 1 31 31 LYS CA C 13 54.215 0.040 . . . . . . . 382 K CA . 51797 1 97 . 1 . 1 31 31 LYS N N 15 122.695 0.021 . . . . . . . 382 K N . 51797 1 98 . 1 . 1 32 32 ILE H H 1 9.235 0.001 . . . . . . . 383 I H . 51797 1 99 . 1 . 1 32 32 ILE CA C 13 60.370 0.037 . . . . . . . 383 I CA . 51797 1 100 . 1 . 1 32 32 ILE N N 15 126.826 0.034 . . . . . . . 383 I N . 51797 1 101 . 1 . 1 33 33 ILE H H 1 8.762 0.007 . . . . . . . 384 I H . 51797 1 102 . 1 . 1 33 33 ILE CA C 13 59.862 0.000 . . . . . . . 384 I CA . 51797 1 103 . 1 . 1 33 33 ILE N N 15 118.373 0.012 . . . . . . . 384 I N . 51797 1 104 . 1 . 1 34 34 ASN CA C 13 53.886 0.000 . . . . . . . 385 N CA . 51797 1 105 . 1 . 1 34 34 ASN CB C 13 36.879 0.000 . . . . . . . 385 N CB . 51797 1 106 . 1 . 1 35 35 ILE H H 1 9.156 0.006 . . . . . . . 386 I H . 51797 1 107 . 1 . 1 35 35 ILE CA C 13 60.772 0.000 . . . . . . . 386 I CA . 51797 1 108 . 1 . 1 35 35 ILE N N 15 122.201 0.030 . . . . . . . 386 I N . 51797 1 109 . 1 . 1 36 36 PRO CA C 13 63.181 0.051 . . . . . . . 387 P CA . 51797 1 110 . 1 . 1 36 36 PRO CB C 13 31.880 0.060 . . . . . . . 387 P CB . 51797 1 111 . 1 . 1 37 37 GLN H H 1 8.914 0.002 . . . . . . . 388 Q H . 51797 1 112 . 1 . 1 37 37 GLN CA C 13 57.742 0.118 . . . . . . . 388 Q CA . 51797 1 113 . 1 . 1 37 37 GLN CB C 13 28.434 0.000 . . . . . . . 388 Q CB . 51797 1 114 . 1 . 1 37 37 GLN N N 15 125.995 0.044 . . . . . . . 388 Q N . 51797 1 115 . 1 . 1 38 38 GLY H H 1 9.315 0.002 . . . . . . . 389 G H . 51797 1 116 . 1 . 1 38 38 GLY CA C 13 44.954 0.032 . . . . . . . 389 G CA . 51797 1 117 . 1 . 1 38 38 GLY N N 15 114.500 0.036 . . . . . . . 389 G N . 51797 1 118 . 1 . 1 39 39 THR H H 1 7.538 0.005 . . . . . . . 390 T H . 51797 1 119 . 1 . 1 39 39 THR CA C 13 64.578 0.048 . . . . . . . 390 T CA . 51797 1 120 . 1 . 1 39 39 THR N N 15 118.057 0.066 . . . . . . . 390 T N . 51797 1 121 . 1 . 1 40 40 LEU H H 1 9.493 0.002 . . . . . . . 391 L H . 51797 1 122 . 1 . 1 40 40 LEU CA C 13 54.398 0.015 . . . . . . . 391 L CA . 51797 1 123 . 1 . 1 40 40 LEU N N 15 131.934 0.024 . . . . . . . 391 L N . 51797 1 124 . 1 . 1 41 41 LYS H H 1 9.978 0.005 . . . . . . . 392 K H . 51797 1 125 . 1 . 1 41 41 LYS CA C 13 61.213 0.034 . . . . . . . 392 K CA . 51797 1 126 . 1 . 1 41 41 LYS N N 15 125.608 0.041 . . . . . . . 392 K N . 51797 1 127 . 1 . 1 42 42 ALA H H 1 8.792 0.002 . . . . . . . 393 A H . 51797 1 128 . 1 . 1 42 42 ALA CA C 13 55.260 0.011 . . . . . . . 393 A CA . 51797 1 129 . 1 . 1 42 42 ALA CB C 13 18.848 0.028 . . . . . . . 393 A CB . 51797 1 130 . 1 . 1 42 42 ALA N N 15 117.231 0.049 . . . . . . . 393 A N . 51797 1 131 . 1 . 1 43 43 GLU H H 1 7.460 0.005 . . . . . . . 394 E H . 51797 1 132 . 1 . 1 43 43 GLU CA C 13 58.918 0.034 . . . . . . . 394 E CA . 51797 1 133 . 1 . 1 43 43 GLU N N 15 115.465 0.045 . . . . . . . 394 E N . 51797 1 134 . 1 . 1 44 44 VAL H H 1 7.235 0.003 . . . . . . . 395 V H . 51797 1 135 . 1 . 1 44 44 VAL CA C 13 66.511 0.000 . . . . . . . 395 V CA . 51797 1 136 . 1 . 1 44 44 VAL N N 15 122.065 0.037 . . . . . . . 395 V N . 51797 1 137 . 1 . 1 45 45 VAL CA C 13 66.884 0.000 . . . . . . . 396 V CA . 51797 1 138 . 1 . 1 46 46 LEU H H 1 7.941 0.001 . . . . . . . 397 L H . 51797 1 139 . 1 . 1 46 46 LEU CA C 13 58.374 0.111 . . . . . . . 397 L CA . 51797 1 140 . 1 . 1 46 46 LEU CB C 13 42.036 0.000 . . . . . . . 397 L CB . 51797 1 141 . 1 . 1 46 46 LEU N N 15 119.074 0.006 . . . . . . . 397 L N . 51797 1 142 . 1 . 1 47 47 ALA H H 1 7.135 0.002 . . . . . . . 398 A H . 51797 1 143 . 1 . 1 47 47 ALA CA C 13 55.080 0.066 . . . . . . . 398 A CA . 51797 1 144 . 1 . 1 47 47 ALA CB C 13 18.761 0.000 . . . . . . . 398 A CB . 51797 1 145 . 1 . 1 47 47 ALA N N 15 118.985 0.033 . . . . . . . 398 A N . 51797 1 146 . 1 . 1 48 48 VAL H H 1 7.750 0.004 . . . . . . . 399 V H . 51797 1 147 . 1 . 1 48 48 VAL CA C 13 65.063 0.110 . . . . . . . 399 V CA . 51797 1 148 . 1 . 1 48 48 VAL N N 15 117.906 0.057 . . . . . . . 399 V N . 51797 1 149 . 1 . 1 49 49 ARG H H 1 9.054 0.001 . . . . . . . 400 R H . 51797 1 150 . 1 . 1 49 49 ARG CA C 13 59.432 0.027 . . . . . . . 400 R CA . 51797 1 151 . 1 . 1 49 49 ARG N N 15 124.184 0.037 . . . . . . . 400 R N . 51797 1 152 . 1 . 1 50 50 HIS H H 1 7.370 0.004 . . . . . . . 401 H H . 51797 1 153 . 1 . 1 50 50 HIS CA C 13 57.992 0.007 . . . . . . . 401 H CA . 51797 1 154 . 1 . 1 50 50 HIS N N 15 115.944 0.057 . . . . . . . 401 H N . 51797 1 155 . 1 . 1 51 51 LEU H H 1 7.953 0.001 . . . . . . . 402 L H . 51797 1 156 . 1 . 1 51 51 LEU CA C 13 56.648 0.017 . . . . . . . 402 L CA . 51797 1 157 . 1 . 1 51 51 LEU N N 15 116.469 0.032 . . . . . . . 402 L N . 51797 1 158 . 1 . 1 52 52 GLY H H 1 7.373 0.003 . . . . . . . 403 G H . 51797 1 159 . 1 . 1 52 52 GLY CA C 13 45.569 0.000 . . . . . . . 403 G CA . 51797 1 160 . 1 . 1 52 52 GLY N N 15 101.207 0.030 . . . . . . . 403 G N . 51797 1 161 . 1 . 1 53 53 TYR H H 1 8.164 0.000 . . . . . . . 404 Y H . 51797 1 162 . 1 . 1 53 53 TYR CA C 13 57.089 0.000 . . . . . . . 404 Y CA . 51797 1 163 . 1 . 1 53 53 TYR CB C 13 41.119 0.000 . . . . . . . 404 Y CB . 51797 1 164 . 1 . 1 53 53 TYR N N 15 119.139 0.000 . . . . . . . 404 Y N . 51797 1 165 . 1 . 1 54 54 GLU H H 1 9.710 0.003 . . . . . . . 405 E H . 51797 1 166 . 1 . 1 54 54 GLU CA C 13 57.184 0.007 . . . . . . . 405 E CA . 51797 1 167 . 1 . 1 54 54 GLU N N 15 124.935 0.033 . . . . . . . 405 E N . 51797 1 168 . 1 . 1 55 55 PHE H H 1 7.553 0.002 . . . . . . . 406 F H . 51797 1 169 . 1 . 1 55 55 PHE CA C 13 55.874 0.073 . . . . . . . 406 F CA . 51797 1 170 . 1 . 1 55 55 PHE CB C 13 40.621 0.000 . . . . . . . 406 F CB . 51797 1 171 . 1 . 1 55 55 PHE N N 15 115.709 0.011 . . . . . . . 406 F N . 51797 1 172 . 1 . 1 56 56 TYR H H 1 8.814 0.005 . . . . . . . 407 Y H . 51797 1 173 . 1 . 1 56 56 TYR CA C 13 56.533 0.000 . . . . . . . 407 Y CA . 51797 1 174 . 1 . 1 56 56 TYR N N 15 118.909 0.054 . . . . . . . 407 Y N . 51797 1 175 . 1 . 1 57 57 CYS H H 1 8.911 0.000 . . . . . . . 408 C H . 51797 1 176 . 1 . 1 57 57 CYS CA C 13 56.695 0.036 . . . . . . . 408 C CA . 51797 1 177 . 1 . 1 57 57 CYS N N 15 124.061 0.004 . . . . . . . 408 C N . 51797 1 178 . 1 . 1 58 58 ASP H H 1 9.076 0.003 . . . . . . . 409 D H . 51797 1 179 . 1 . 1 58 58 ASP CA C 13 53.888 0.000 . . . . . . . 409 D CA . 51797 1 180 . 1 . 1 58 58 ASP N N 15 129.402 0.040 . . . . . . . 409 D N . 51797 1 181 . 1 . 1 59 59 TYR CA C 13 57.080 0.000 . . . . . . . 410 Y CA . 51797 1 182 . 1 . 1 60 60 ILE H H 1 7.947 0.006 . . . . . . . 411 I H . 51797 1 183 . 1 . 1 60 60 ILE CA C 13 60.664 0.144 . . . . . . . 411 I CA . 51797 1 184 . 1 . 1 60 60 ILE CB C 13 37.304 0.000 . . . . . . . 411 I CB . 51797 1 185 . 1 . 1 60 60 ILE N N 15 128.945 0.026 . . . . . . . 411 I N . 51797 1 186 . 1 . 1 61 61 ASP H H 1 7.836 0.005 . . . . . . . 412 D H . 51797 1 187 . 1 . 1 61 61 ASP CA C 13 52.757 0.043 . . . . . . . 412 D CA . 51797 1 188 . 1 . 1 61 61 ASP CB C 13 42.482 0.184 . . . . . . . 412 D CB . 51797 1 189 . 1 . 1 61 61 ASP N N 15 125.383 0.077 . . . . . . . 412 D N . 51797 1 190 . 1 . 1 62 62 GLU H H 1 8.170 0.004 . . . . . . . 413 E H . 51797 1 191 . 1 . 1 62 62 GLU CA C 13 57.558 0.000 . . . . . . . 413 E CA . 51797 1 192 . 1 . 1 62 62 GLU N N 15 120.856 0.061 . . . . . . . 413 E N . 51797 1 193 . 1 . 1 63 63 ASN H H 1 8.587 0.003 . . . . . . . 414 N H . 51797 1 194 . 1 . 1 63 63 ASN CA C 13 53.948 0.091 . . . . . . . 414 N CA . 51797 1 195 . 1 . 1 63 63 ASN CB C 13 39.055 0.000 . . . . . . . 414 N CB . 51797 1 196 . 1 . 1 63 63 ASN N N 15 118.853 0.010 . . . . . . . 414 N N . 51797 1 197 . 1 . 1 64 64 SER H H 1 8.186 0.003 . . . . . . . 415 S H . 51797 1 198 . 1 . 1 64 64 SER CA C 13 59.449 0.018 . . . . . . . 415 S CA . 51797 1 199 . 1 . 1 64 64 SER CB C 13 63.693 0.000 . . . . . . . 415 S CB . 51797 1 200 . 1 . 1 64 64 SER N N 15 116.261 0.042 . . . . . . . 415 S N . 51797 1 201 . 1 . 1 65 65 ASN H H 1 8.375 0.002 . . . . . . . 416 N H . 51797 1 202 . 1 . 1 65 65 ASN CA C 13 53.659 0.008 . . . . . . . 416 N CA . 51797 1 203 . 1 . 1 65 65 ASN CB C 13 38.729 0.000 . . . . . . . 416 N CB . 51797 1 204 . 1 . 1 65 65 ASN N N 15 120.450 0.005 . . . . . . . 416 N N . 51797 1 205 . 1 . 1 66 66 GLN H H 1 8.247 0.003 . . . . . . . 417 Q H . 51797 1 206 . 1 . 1 66 66 GLN CA C 13 56.135 0.058 . . . . . . . 417 Q CA . 51797 1 207 . 1 . 1 66 66 GLN CB C 13 29.411 0.083 . . . . . . . 417 Q CB . 51797 1 208 . 1 . 1 66 66 GLN N N 15 120.400 0.066 . . . . . . . 417 Q N . 51797 1 209 . 1 . 1 67 67 ILE H H 1 8.116 0.003 . . . . . . . 418 I H . 51797 1 210 . 1 . 1 67 67 ILE CA C 13 61.483 0.080 . . . . . . . 418 I CA . 51797 1 211 . 1 . 1 67 67 ILE CB C 13 38.682 0.084 . . . . . . . 418 I CB . 51797 1 212 . 1 . 1 67 67 ILE N N 15 121.428 0.057 . . . . . . . 418 I N . 51797 1 213 . 1 . 1 68 68 ASN H H 1 8.486 0.002 . . . . . . . 419 N H . 51797 1 214 . 1 . 1 68 68 ASN CA C 13 53.342 0.088 . . . . . . . 419 N CA . 51797 1 215 . 1 . 1 68 68 ASN CB C 13 38.924 0.010 . . . . . . . 419 N CB . 51797 1 216 . 1 . 1 68 68 ASN N N 15 122.375 0.055 . . . . . . . 419 N N . 51797 1 217 . 1 . 1 69 69 SER H H 1 8.334 0.002 . . . . . . . 420 S H . 51797 1 218 . 1 . 1 69 69 SER CA C 13 59.037 0.024 . . . . . . . 420 S CA . 51797 1 219 . 1 . 1 69 69 SER CB C 13 63.570 0.000 . . . . . . . 420 S CB . 51797 1 220 . 1 . 1 69 69 SER N N 15 116.886 0.039 . . . . . . . 420 S N . 51797 1 221 . 1 . 1 70 70 ASN H H 1 8.455 0.004 . . . . . . . 443 N H . 51797 1 222 . 1 . 1 70 70 ASN CA C 13 53.689 0.016 . . . . . . . 443 N CA . 51797 1 223 . 1 . 1 70 70 ASN CB C 13 38.679 0.000 . . . . . . . 443 N CB . 51797 1 224 . 1 . 1 70 70 ASN N N 15 120.100 0.018 . . . . . . . 443 N N . 51797 1 225 . 1 . 1 71 71 LEU H H 1 7.979 0.005 . . . . . . . 444 L H . 51797 1 226 . 1 . 1 71 71 LEU CA C 13 55.575 0.033 . . . . . . . 444 L CA . 51797 1 227 . 1 . 1 71 71 LEU CB C 13 42.374 0.019 . . . . . . . 444 L CB . 51797 1 228 . 1 . 1 71 71 LEU CD1 C 13 25.018 0.000 . . . . . . . 444 L CD1 . 51797 1 229 . 1 . 1 71 71 LEU N N 15 121.070 0.108 . . . . . . . 444 L N . 51797 1 230 . 1 . 1 72 72 ILE H H 1 7.979 0.002 . . . . . . . 445 I H . 51797 1 231 . 1 . 1 72 72 ILE CA C 13 61.212 0.026 . . . . . . . 445 I CA . 51797 1 232 . 1 . 1 72 72 ILE CB C 13 38.588 0.026 . . . . . . . 445 I CB . 51797 1 233 . 1 . 1 72 72 ILE N N 15 120.724 0.068 . . . . . . . 445 I N . 51797 1 234 . 1 . 1 73 73 GLN H H 1 8.382 0.004 . . . . . . . 446 Q H . 51797 1 235 . 1 . 1 73 73 GLN CA C 13 56.085 0.000 . . . . . . . 446 Q CA . 51797 1 236 . 1 . 1 73 73 GLN CB C 13 29.447 0.000 . . . . . . . 446 Q CB . 51797 1 237 . 1 . 1 73 73 GLN N N 15 123.801 0.058 . . . . . . . 446 Q N . 51797 1 238 . 1 . 1 74 74 GLN CA C 13 56.394 0.000 . . . . . . . 447 Q CA . 51797 1 239 . 1 . 1 75 75 ASP H H 1 8.320 0.003 . . . . . . . 448 D H . 51797 1 240 . 1 . 1 75 75 ASP CA C 13 54.468 0.028 . . . . . . . 448 D CA . 51797 1 241 . 1 . 1 75 75 ASP CB C 13 41.217 0.000 . . . . . . . 448 D CB . 51797 1 242 . 1 . 1 75 75 ASP N N 15 120.411 0.061 . . . . . . . 448 D N . 51797 1 243 . 1 . 1 78 78 PRO CA C 13 63.406 0.157 . . . . . . . 451 P CA . 51797 1 244 . 1 . 1 78 78 PRO CB C 13 32.277 0.000 . . . . . . . 451 P CB . 51797 1 245 . 1 . 1 79 79 GLN H H 1 8.771 0.006 . . . . . . . 452 Q H . 51797 1 246 . 1 . 1 79 79 GLN CA C 13 54.492 0.000 . . . . . . . 452 Q CA . 51797 1 247 . 1 . 1 79 79 GLN N N 15 120.300 0.035 . . . . . . . 452 Q N . 51797 1 248 . 1 . 1 80 80 LEU H H 1 7.952 0.000 . . . . . . . 453 L H . 51797 1 249 . 1 . 1 80 80 LEU N N 15 119.893 0.000 . . . . . . . 453 L N . 51797 1 250 . 1 . 1 81 81 ASN H H 1 8.331 0.000 . . . . . . . 454 N H . 51797 1 251 . 1 . 1 81 81 ASN CA C 13 54.451 0.015 . . . . . . . 454 N CA . 51797 1 252 . 1 . 1 81 81 ASN N N 15 113.606 0.069 . . . . . . . 454 N N . 51797 1 253 . 1 . 1 82 82 ASP H H 1 7.618 0.003 . . . . . . . 455 D H . 51797 1 254 . 1 . 1 82 82 ASP CA C 13 55.795 0.006 . . . . . . . 455 D CA . 51797 1 255 . 1 . 1 82 82 ASP CB C 13 41.178 0.000 . . . . . . . 455 D CB . 51797 1 256 . 1 . 1 82 82 ASP N N 15 116.934 0.031 . . . . . . . 455 D N . 51797 1 257 . 1 . 1 83 83 LEU H H 1 7.596 0.003 . . . . . . . 456 L H . 51797 1 258 . 1 . 1 83 83 LEU CA C 13 55.848 0.000 . . . . . . . 456 L CA . 51797 1 259 . 1 . 1 83 83 LEU N N 15 118.675 0.088 . . . . . . . 456 L N . 51797 1 260 . 1 . 1 85 85 LYS H H 1 7.412 0.003 . . . . . . . 458 K H . 51797 1 261 . 1 . 1 85 85 LYS CA C 13 53.525 0.000 . . . . . . . 458 K CA . 51797 1 262 . 1 . 1 85 85 LYS N N 15 119.548 0.028 . . . . . . . 458 K N . 51797 1 263 . 1 . 1 86 86 GLU H H 1 8.317 0.004 . . . . . . . 459 E H . 51797 1 264 . 1 . 1 86 86 GLU CA C 13 58.008 0.013 . . . . . . . 459 E CA . 51797 1 265 . 1 . 1 86 86 GLU CB C 13 29.362 0.000 . . . . . . . 459 E CB . 51797 1 266 . 1 . 1 86 86 GLU N N 15 118.642 0.007 . . . . . . . 459 E N . 51797 1 267 . 1 . 1 87 87 GLY H H 1 9.081 0.002 . . . . . . . 460 G H . 51797 1 268 . 1 . 1 87 87 GLY CA C 13 46.452 0.018 . . . . . . . 460 G CA . 51797 1 269 . 1 . 1 87 87 GLY N N 15 112.497 0.020 . . . . . . . 460 G N . 51797 1 270 . 1 . 1 88 88 GLN H H 1 7.543 0.002 . . . . . . . 461 Q H . 51797 1 271 . 1 . 1 88 88 GLN CA C 13 53.308 0.022 . . . . . . . 461 Q CA . 51797 1 272 . 1 . 1 88 88 GLN N N 15 114.292 0.040 . . . . . . . 461 Q N . 51797 1 273 . 1 . 1 89 89 ALA H H 1 9.351 0.005 . . . . . . . 462 A H . 51797 1 274 . 1 . 1 89 89 ALA CA C 13 50.117 0.018 . . . . . . . 462 A CA . 51797 1 275 . 1 . 1 89 89 ALA CB C 13 23.775 0.000 . . . . . . . 462 A CB . 51797 1 276 . 1 . 1 89 89 ALA N N 15 121.638 0.028 . . . . . . . 462 A N . 51797 1 277 . 1 . 1 90 90 MET H H 1 9.003 0.003 . . . . . . . 463 M H . 51797 1 278 . 1 . 1 90 90 MET CA C 13 53.791 0.030 . . . . . . . 463 M CA . 51797 1 279 . 1 . 1 90 90 MET N N 15 121.724 0.054 . . . . . . . 463 M N . 51797 1 280 . 1 . 1 91 91 ILE H H 1 9.051 0.003 . . . . . . . 464 I H . 51797 1 281 . 1 . 1 91 91 ILE CA C 13 57.332 0.036 . . . . . . . 464 I CA . 51797 1 282 . 1 . 1 91 91 ILE N N 15 128.842 0.046 . . . . . . . 464 I N . 51797 1 283 . 1 . 1 92 92 ARG H H 1 8.711 0.003 . . . . . . . 465 R H . 51797 1 284 . 1 . 1 92 92 ARG CA C 13 54.106 0.046 . . . . . . . 465 R CA . 51797 1 285 . 1 . 1 92 92 ARG N N 15 126.079 0.046 . . . . . . . 465 R N . 51797 1 286 . 1 . 1 93 93 PHE H H 1 9.109 0.006 . . . . . . . 466 F H . 51797 1 287 . 1 . 1 93 93 PHE CA C 13 58.851 0.000 . . . . . . . 466 F CA . 51797 1 288 . 1 . 1 93 93 PHE N N 15 125.855 0.029 . . . . . . . 466 F N . 51797 1 289 . 1 . 1 94 94 GLN H H 1 10.399 0.003 . . . . . . . 467 Q H . 51797 1 290 . 1 . 1 94 94 GLN CA C 13 58.679 0.100 . . . . . . . 467 Q CA . 51797 1 291 . 1 . 1 94 94 GLN N N 15 118.095 0.001 . . . . . . . 467 Q N . 51797 1 292 . 1 . 1 95 95 ASN H H 1 7.706 0.003 . . . . . . . 468 N H . 51797 1 293 . 1 . 1 95 95 ASN CA C 13 52.682 0.072 . . . . . . . 468 N CA . 51797 1 294 . 1 . 1 95 95 ASN CB C 13 40.183 0.017 . . . . . . . 468 N CB . 51797 1 295 . 1 . 1 95 95 ASN N N 15 107.756 0.051 . . . . . . . 468 N N . 51797 1 296 . 1 . 1 96 96 SER H H 1 9.050 0.003 . . . . . . . 469 S H . 51797 1 297 . 1 . 1 96 96 SER CA C 13 60.184 0.103 . . . . . . . 469 S CA . 51797 1 298 . 1 . 1 96 96 SER N N 15 115.475 0.038 . . . . . . . 469 S N . 51797 1 299 . 1 . 1 97 97 ASP H H 1 8.174 0.004 . . . . . . . 470 D H . 51797 1 300 . 1 . 1 97 97 ASP CA C 13 57.677 0.000 . . . . . . . 470 D CA . 51797 1 301 . 1 . 1 97 97 ASP N N 15 124.176 0.064 . . . . . . . 470 D N . 51797 1 302 . 1 . 1 98 98 GLU CA C 13 59.735 0.000 . . . . . . . 471 E CA . 51797 1 303 . 1 . 1 99 99 GLN H H 1 7.363 0.005 . . . . . . . 472 Q H . 51797 1 304 . 1 . 1 99 99 GLN CA C 13 60.794 0.037 . . . . . . . 472 Q CA . 51797 1 305 . 1 . 1 99 99 GLN N N 15 119.841 0.039 . . . . . . . 472 Q N . 51797 1 306 . 1 . 1 100 100 ARG H H 1 7.630 0.004 . . . . . . . 473 R H . 51797 1 307 . 1 . 1 100 100 ARG CA C 13 59.572 0.000 . . . . . . . 473 R CA . 51797 1 308 . 1 . 1 100 100 ARG N N 15 117.309 0.028 . . . . . . . 473 R N . 51797 1 309 . 1 . 1 101 101 LEU H H 1 7.647 0.002 . . . . . . . 474 L H . 51797 1 310 . 1 . 1 101 101 LEU CA C 13 57.720 0.000 . . . . . . . 474 L CA . 51797 1 311 . 1 . 1 101 101 LEU N N 15 120.964 0.020 . . . . . . . 474 L N . 51797 1 312 . 1 . 1 102 102 ALA H H 1 8.164 0.003 . . . . . . . 475 A H . 51797 1 313 . 1 . 1 102 102 ALA CA C 13 55.983 0.103 . . . . . . . 475 A CA . 51797 1 314 . 1 . 1 102 102 ALA N N 15 123.736 0.024 . . . . . . . 475 A N . 51797 1 315 . 1 . 1 103 103 ILE H H 1 7.894 0.002 . . . . . . . 476 I H . 51797 1 316 . 1 . 1 103 103 ILE CA C 13 64.840 0.000 . . . . . . . 476 I CA . 51797 1 317 . 1 . 1 103 103 ILE N N 15 115.661 0.004 . . . . . . . 476 I N . 51797 1 318 . 1 . 1 104 104 GLN H H 1 7.773 0.013 . . . . . . . 477 Q H . 51797 1 319 . 1 . 1 104 104 GLN CA C 13 58.992 0.000 . . . . . . . 477 Q CA . 51797 1 320 . 1 . 1 104 104 GLN N N 15 118.477 0.115 . . . . . . . 477 Q N . 51797 1 321 . 1 . 1 107 107 LEU H H 1 8.700 0.000 . . . . . . . 480 L H . 51797 1 322 . 1 . 1 107 107 LEU N N 15 113.668 0.000 . . . . . . . 480 L N . 51797 1 323 . 1 . 1 111 111 ASN H H 1 8.497 0.000 . . . . . . . 484 N H . 51797 1 324 . 1 . 1 111 111 ASN CA C 13 54.223 0.000 . . . . . . . 484 N CA . 51797 1 325 . 1 . 1 111 111 ASN N N 15 113.288 0.000 . . . . . . . 484 N N . 51797 1 326 . 1 . 1 116 116 ILE CA C 13 59.733 0.000 . . . . . . . 489 I CA . 51797 1 327 . 1 . 1 117 117 GLU H H 1 8.507 0.003 . . . . . . . 490 E H . 51797 1 328 . 1 . 1 117 117 GLU CA C 13 55.342 0.012 . . . . . . . 490 E CA . 51797 1 329 . 1 . 1 117 117 GLU N N 15 129.188 0.042 . . . . . . . 490 E N . 51797 1 330 . 1 . 1 118 118 ILE H H 1 8.888 0.002 . . . . . . . 491 I H . 51797 1 331 . 1 . 1 118 118 ILE CA C 13 61.207 0.006 . . . . . . . 491 I CA . 51797 1 332 . 1 . 1 118 118 ILE N N 15 126.265 0.034 . . . . . . . 491 I N . 51797 1 333 . 1 . 1 119 119 ARG H H 1 9.114 0.003 . . . . . . . 492 R H . 51797 1 334 . 1 . 1 119 119 ARG CA C 13 57.112 0.062 . . . . . . . 492 R CA . 51797 1 335 . 1 . 1 119 119 ARG CB C 13 27.908 0.000 . . . . . . . 492 R CB . 51797 1 336 . 1 . 1 119 119 ARG N N 15 126.853 0.041 . . . . . . . 492 R N . 51797 1 337 . 1 . 1 120 120 GLY H H 1 8.699 0.005 . . . . . . . 493 G H . 51797 1 338 . 1 . 1 120 120 GLY CA C 13 45.623 0.085 . . . . . . . 493 G CA . 51797 1 339 . 1 . 1 120 120 GLY N N 15 103.546 0.054 . . . . . . . 493 G N . 51797 1 340 . 1 . 1 121 121 GLN H H 1 7.960 0.003 . . . . . . . 494 Q H . 51797 1 341 . 1 . 1 121 121 GLN CA C 13 53.639 0.098 . . . . . . . 494 Q CA . 51797 1 342 . 1 . 1 121 121 GLN CB C 13 31.164 0.000 . . . . . . . 494 Q CB . 51797 1 343 . 1 . 1 121 121 GLN N N 15 120.583 0.055 . . . . . . . 494 Q N . 51797 1 344 . 1 . 1 122 122 ILE H H 1 8.713 0.003 . . . . . . . 495 I H . 51797 1 345 . 1 . 1 122 122 ILE CA C 13 61.303 0.026 . . . . . . . 495 I CA . 51797 1 346 . 1 . 1 122 122 ILE N N 15 124.255 0.056 . . . . . . . 495 I N . 51797 1 347 . 1 . 1 123 123 CYS H H 1 9.213 0.005 . . . . . . . 496 C H . 51797 1 348 . 1 . 1 123 123 CYS CA C 13 58.316 0.017 . . . . . . . 496 C CA . 51797 1 349 . 1 . 1 123 123 CYS CB C 13 28.825 0.000 . . . . . . . 496 C CB . 51797 1 350 . 1 . 1 123 123 CYS N N 15 129.913 0.012 . . . . . . . 496 C N . 51797 1 351 . 1 . 1 124 124 ASP H H 1 7.598 0.003 . . . . . . . 497 D H . 51797 1 352 . 1 . 1 124 124 ASP CA C 13 55.542 0.000 . . . . . . . 497 D CA . 51797 1 353 . 1 . 1 124 124 ASP CB C 13 42.799 0.000 . . . . . . . 497 D CB . 51797 1 354 . 1 . 1 124 124 ASP N N 15 123.011 0.064 . . . . . . . 497 D N . 51797 1 355 . 1 . 1 125 125 VAL H H 1 7.620 0.001 . . . . . . . 498 V H . 51797 1 356 . 1 . 1 125 125 VAL CA C 13 60.680 0.015 . . . . . . . 498 V CA . 51797 1 357 . 1 . 1 125 125 VAL N N 15 118.940 0.051 . . . . . . . 498 V N . 51797 1 358 . 1 . 1 126 126 ILE H H 1 9.539 0.002 . . . . . . . 499 I H . 51797 1 359 . 1 . 1 126 126 ILE CA C 13 59.822 0.002 . . . . . . . 499 I CA . 51797 1 360 . 1 . 1 126 126 ILE N N 15 128.010 0.017 . . . . . . . 499 I N . 51797 1 361 . 1 . 1 127 127 SER H H 1 8.787 0.004 . . . . . . . 500 S H . 51797 1 362 . 1 . 1 127 127 SER CA C 13 58.331 0.094 . . . . . . . 500 S CA . 51797 1 363 . 1 . 1 127 127 SER CB C 13 64.651 0.000 . . . . . . . 500 S CB . 51797 1 364 . 1 . 1 127 127 SER N N 15 119.409 0.043 . . . . . . . 500 S N . 51797 1 365 . 1 . 1 128 128 THR H H 1 7.413 0.004 . . . . . . . 501 T H . 51797 1 366 . 1 . 1 128 128 THR CA C 13 60.432 0.008 . . . . . . . 501 T CA . 51797 1 367 . 1 . 1 128 128 THR CB C 13 69.180 0.000 . . . . . . . 501 T CB . 51797 1 368 . 1 . 1 128 128 THR N N 15 117.963 0.033 . . . . . . . 501 T N . 51797 1 369 . 1 . 1 129 129 ILE H H 1 8.532 0.005 . . . . . . . 502 I H . 51797 1 370 . 1 . 1 129 129 ILE CA C 13 56.858 0.085 . . . . . . . 502 I CA . 51797 1 371 . 1 . 1 129 129 ILE CB C 13 37.439 0.000 . . . . . . . 502 I CB . 51797 1 372 . 1 . 1 129 129 ILE N N 15 127.877 0.061 . . . . . . . 502 I N . 51797 1 373 . 1 . 1 130 130 PRO CA C 13 63.279 0.082 . . . . . . . 503 P CA . 51797 1 374 . 1 . 1 130 130 PRO CB C 13 32.999 0.000 . . . . . . . 503 P CB . 51797 1 375 . 1 . 1 131 131 GLU H H 1 8.905 0.003 . . . . . . . 504 E H . 51797 1 376 . 1 . 1 131 131 GLU CA C 13 60.430 0.050 . . . . . . . 504 E CA . 51797 1 377 . 1 . 1 131 131 GLU CB C 13 29.948 0.021 . . . . . . . 504 E CB . 51797 1 378 . 1 . 1 131 131 GLU N N 15 123.250 0.034 . . . . . . . 504 E N . 51797 1 379 . 1 . 1 132 132 ASP H H 1 9.007 0.002 . . . . . . . 505 D H . 51797 1 380 . 1 . 1 132 132 ASP CA C 13 57.204 0.041 . . . . . . . 505 D CA . 51797 1 381 . 1 . 1 132 132 ASP CB C 13 39.486 0.000 . . . . . . . 505 D CB . 51797 1 382 . 1 . 1 132 132 ASP N N 15 117.570 0.039 . . . . . . . 505 D N . 51797 1 383 . 1 . 1 133 133 GLU H H 1 7.209 0.002 . . . . . . . 506 E H . 51797 1 384 . 1 . 1 133 133 GLU CA C 13 59.359 0.064 . . . . . . . 506 E CA . 51797 1 385 . 1 . 1 133 133 GLU N N 15 121.998 0.028 . . . . . . . 506 E N . 51797 1 386 . 1 . 1 134 134 GLU H H 1 8.553 0.004 . . . . . . . 507 E H . 51797 1 387 . 1 . 1 134 134 GLU CA C 13 60.739 0.054 . . . . . . . 507 E CA . 51797 1 388 . 1 . 1 134 134 GLU N N 15 121.228 0.120 . . . . . . . 507 E N . 51797 1 389 . 1 . 1 135 135 LYS H H 1 8.415 0.000 . . . . . . . 508 K H . 51797 1 390 . 1 . 1 135 135 LYS CA C 13 60.260 0.062 . . . . . . . 508 K CA . 51797 1 391 . 1 . 1 135 135 LYS N N 15 118.782 0.036 . . . . . . . 508 K N . 51797 1 392 . 1 . 1 136 136 ASN H H 1 8.189 0.002 . . . . . . . 509 N H . 51797 1 393 . 1 . 1 136 136 ASN CA C 13 55.918 0.056 . . . . . . . 509 N CA . 51797 1 394 . 1 . 1 136 136 ASN N N 15 117.609 0.009 . . . . . . . 509 N N . 51797 1 395 . 1 . 1 137 137 TYR H H 1 8.627 0.002 . . . . . . . 510 Y H . 51797 1 396 . 1 . 1 137 137 TYR CA C 13 62.554 0.000 . . . . . . . 510 Y CA . 51797 1 397 . 1 . 1 137 137 TYR N N 15 123.304 0.033 . . . . . . . 510 Y N . 51797 1 398 . 1 . 1 138 138 TRP HE1 H 1 10.775 0.000 . . . . . . . 511 W HE1 . 51797 1 399 . 1 . 1 138 138 TRP NE1 N 15 129.266 0.000 . . . . . . . 511 W NE1 . 51797 1 400 . 1 . 1 153 153 PHE CA C 13 58.687 0.000 . . . . . . . 526 F CA . 51797 1 401 . 1 . 1 153 153 PHE CB C 13 39.201 0.000 . . . . . . . 526 F CB . 51797 1 402 . 1 . 1 154 154 MET H H 1 8.057 0.003 . . . . . . . 527 M H . 51797 1 403 . 1 . 1 154 154 MET CA C 13 56.305 0.008 . . . . . . . 527 M CA . 51797 1 404 . 1 . 1 154 154 MET CB C 13 32.748 0.000 . . . . . . . 527 M CB . 51797 1 405 . 1 . 1 154 154 MET N N 15 120.777 0.080 . . . . . . . 527 M N . 51797 1 406 . 1 . 1 155 155 LYS H H 1 8.099 0.002 . . . . . . . 528 K H . 51797 1 407 . 1 . 1 155 155 LYS CA C 13 56.855 0.048 . . . . . . . 528 K CA . 51797 1 408 . 1 . 1 155 155 LYS CB C 13 32.856 0.000 . . . . . . . 528 K CB . 51797 1 409 . 1 . 1 155 155 LYS N N 15 121.819 0.065 . . . . . . . 528 K N . 51797 1 410 . 1 . 1 156 156 LYS H H 1 8.136 0.002 . . . . . . . 529 K H . 51797 1 411 . 1 . 1 156 156 LYS CA C 13 56.806 0.079 . . . . . . . 529 K CA . 51797 1 412 . 1 . 1 156 156 LYS CB C 13 32.904 0.021 . . . . . . . 529 K CB . 51797 1 413 . 1 . 1 156 156 LYS N N 15 121.779 0.049 . . . . . . . 529 K N . 51797 1 414 . 1 . 1 157 157 GLN H H 1 8.270 0.004 . . . . . . . 530 Q H . 51797 1 415 . 1 . 1 157 157 GLN CA C 13 56.105 0.000 . . . . . . . 530 Q CA . 51797 1 416 . 1 . 1 157 157 GLN CB C 13 29.512 0.000 . . . . . . . 530 Q CB . 51797 1 417 . 1 . 1 157 157 GLN N N 15 120.993 0.065 . . . . . . . 530 Q N . 51797 1 418 . 1 . 1 158 158 GLN CA C 13 55.935 0.062 . . . . . . . 531 Q CA . 51797 1 419 . 1 . 1 158 158 GLN CB C 13 29.859 0.004 . . . . . . . 531 Q CB . 51797 1 420 . 1 . 1 159 159 LYS H H 1 8.586 0.002 . . . . . . . 532 K H . 51797 1 421 . 1 . 1 159 159 LYS CA C 13 56.477 0.175 . . . . . . . 532 K CA . 51797 1 422 . 1 . 1 159 159 LYS CB C 13 33.141 0.016 . . . . . . . 532 K CB . 51797 1 423 . 1 . 1 159 159 LYS N N 15 123.080 0.029 . . . . . . . 532 K N . 51797 1 424 . 1 . 1 160 160 LYS H H 1 8.354 0.007 . . . . . . . 533 K H . 51797 1 425 . 1 . 1 160 160 LYS CA C 13 56.321 0.138 . . . . . . . 533 K CA . 51797 1 426 . 1 . 1 160 160 LYS CB C 13 33.112 0.028 . . . . . . . 533 K CB . 51797 1 427 . 1 . 1 160 160 LYS CD C 13 29.141 0.000 . . . . . . . 533 K CD . 51797 1 428 . 1 . 1 160 160 LYS N N 15 122.940 0.057 . . . . . . . 533 K N . 51797 1 429 . 1 . 1 161 161 GLN H H 1 8.437 0.002 . . . . . . . 534 Q H . 51797 1 430 . 1 . 1 161 161 GLN CA C 13 55.832 0.083 . . . . . . . 534 Q CA . 51797 1 431 . 1 . 1 161 161 GLN CB C 13 29.596 0.096 . . . . . . . 534 Q CB . 51797 1 432 . 1 . 1 161 161 GLN N N 15 121.566 0.065 . . . . . . . 534 Q N . 51797 1 433 . 1 . 1 162 162 ASN H H 1 8.365 0.004 . . . . . . . 535 N H . 51797 1 434 . 1 . 1 162 162 ASN CA C 13 53.294 0.175 . . . . . . . 535 N CA . 51797 1 435 . 1 . 1 162 162 ASN CB C 13 38.957 0.034 . . . . . . . 535 N CB . 51797 1 436 . 1 . 1 162 162 ASN N N 15 119.852 0.064 . . . . . . . 535 N N . 51797 1 437 . 1 . 1 163 163 ILE H H 1 8.169 0.003 . . . . . . . 536 I H . 51797 1 438 . 1 . 1 163 163 ILE CA C 13 61.335 0.049 . . . . . . . 536 I CA . 51797 1 439 . 1 . 1 163 163 ILE CB C 13 38.816 0.059 . . . . . . . 536 I CB . 51797 1 440 . 1 . 1 163 163 ILE N N 15 120.925 0.105 . . . . . . . 536 I N . 51797 1 441 . 1 . 1 164 164 THR H H 1 8.230 0.002 . . . . . . . 537 T H . 51797 1 442 . 1 . 1 164 164 THR CA C 13 62.040 0.088 . . . . . . . 537 T CA . 51797 1 443 . 1 . 1 164 164 THR CB C 13 69.771 0.083 . . . . . . . 537 T CB . 51797 1 444 . 1 . 1 164 164 THR N N 15 118.250 0.038 . . . . . . . 537 T N . 51797 1 445 . 1 . 1 165 165 GLN H H 1 8.336 0.003 . . . . . . . 538 Q H . 51797 1 446 . 1 . 1 165 165 GLN CA C 13 55.851 0.040 . . . . . . . 538 Q CA . 51797 1 447 . 1 . 1 165 165 GLN CB C 13 29.753 0.100 . . . . . . . 538 Q CB . 51797 1 448 . 1 . 1 165 165 GLN N N 15 122.679 0.047 . . . . . . . 538 Q N . 51797 1 449 . 1 . 1 166 166 ASN H H 1 8.546 0.000 . . . . . . . 539 N H . 51797 1 450 . 1 . 1 166 166 ASN CA C 13 53.367 0.044 . . . . . . . 539 N CA . 51797 1 451 . 1 . 1 166 166 ASN CB C 13 38.857 0.000 . . . . . . . 539 N CB . 51797 1 452 . 1 . 1 166 166 ASN N N 15 120.510 0.037 . . . . . . . 539 N N . 51797 1 453 . 1 . 1 168 168 ASN H H 1 8.169 0.001 . . . . . . . 541 N H . 51797 1 454 . 1 . 1 168 168 ASN CA C 13 53.401 0.038 . . . . . . . 541 N CA . 51797 1 455 . 1 . 1 168 168 ASN CB C 13 38.986 0.090 . . . . . . . 541 N CB . 51797 1 456 . 1 . 1 168 168 ASN N N 15 121.051 0.112 . . . . . . . 541 N N . 51797 1 457 . 1 . 1 169 169 LYS H H 1 7.764 0.003 . . . . . . . 542 K H . 51797 1 458 . 1 . 1 169 169 LYS CA C 13 57.805 0.008 . . . . . . . 542 K CA . 51797 1 459 . 1 . 1 169 169 LYS CB C 13 33.737 0.000 . . . . . . . 542 K CB . 51797 1 460 . 1 . 1 169 169 LYS N N 15 126.433 0.035 . . . . . . . 542 K N . 51797 1 stop_ save_