################################### # 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 52861 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'JIP1 353-553' _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 ; JIP1 490-549 is an SH3 dimer that homodimerizes and is not visible under our experimental conditions. The assigned chemical shift of the SH3 domain can be found in BMRB 50814. The two resonances from R436 and Q438 do exist but could not be definitively assigned to 436 or 438 due to the similarity of R and Q chemical shifts and their positions in between prolines. The resonances for 435 and 436 are interchangeable with 437 and 438. ; _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' . . . 52861 1 2 '3D HNCO' . . . 52861 1 3 '3D HN(CO)CA' . . . 52861 1 4 '3D HN(CO)CACB' . . . 52861 1 5 '3D HNCACB' . . . 52861 1 6 '3D HNCA' . . . 52861 1 7 '3D HN(CA)CO' . . . 52861 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . 52861 1 2 $software_2 . . 52861 1 3 $software_3 . . 52861 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 2 2 GLY H H 1 8.778 . . . . . . . . 354 G HN . 52861 1 2 . 1 . 1 2 2 GLY C C 13 174.320 . . . . . . . . 354 G CO . 52861 1 3 . 1 . 1 2 2 GLY CA C 13 45.254 . . . . . . . . 354 G CA . 52861 1 4 . 1 . 1 2 2 GLY N N 15 110.242 . . . . . . . . 354 G N . 52861 1 5 . 1 . 1 3 3 SER H H 1 8.397 . . . . . . . . 355 S HN . 52861 1 6 . 1 . 1 3 3 SER C C 13 174.878 . . . . . . . . 355 S CO . 52861 1 7 . 1 . 1 3 3 SER CA C 13 58.428 . . . . . . . . 355 S CA . 52861 1 8 . 1 . 1 3 3 SER CB C 13 63.912 . . . . . . . . 355 S CB . 52861 1 9 . 1 . 1 3 3 SER N N 15 116.025 . . . . . . . . 355 S N . 52861 1 10 . 1 . 1 4 4 LEU H H 1 8.549 . . . . . . . . 356 L HN . 52861 1 11 . 1 . 1 4 4 LEU C C 13 177.998 . . . . . . . . 356 L CO . 52861 1 12 . 1 . 1 4 4 LEU CA C 13 55.505 . . . . . . . . 356 L CA . 52861 1 13 . 1 . 1 4 4 LEU CB C 13 42.165 . . . . . . . . 356 L CB . 52861 1 14 . 1 . 1 4 4 LEU N N 15 123.990 . . . . . . . . 356 L N . 52861 1 15 . 1 . 1 5 5 GLY H H 1 8.479 . . . . . . . . 357 G HN . 52861 1 16 . 1 . 1 5 5 GLY C C 13 173.773 . . . . . . . . 357 G CO . 52861 1 17 . 1 . 1 5 5 GLY CA C 13 44.976 . . . . . . . . 357 G CA . 52861 1 18 . 1 . 1 5 5 GLY N N 15 109.648 . . . . . . . . 357 G N . 52861 1 19 . 1 . 1 6 6 GLU H H 1 8.323 . . . . . . . . 358 E HN . 52861 1 20 . 1 . 1 6 6 GLU C C 13 174.250 . . . . . . . . 358 E CO . 52861 1 21 . 1 . 1 6 6 GLU CA C 13 54.235 . . . . . . . . 358 E CA . 52861 1 22 . 1 . 1 6 6 GLU CB C 13 29.702 . . . . . . . . 358 E CB . 52861 1 23 . 1 . 1 6 6 GLU N N 15 121.934 . . . . . . . . 358 E N . 52861 1 24 . 1 . 1 11 11 PRO C C 13 177.019 . . . . . . . . 363 P CO . 52861 1 25 . 1 . 1 11 11 PRO CA C 13 62.806 . . . . . . . . 363 P CA . 52861 1 26 . 1 . 1 11 11 PRO CB C 13 32.082 . . . . . . . . 363 P CB . 52861 1 27 . 1 . 1 12 12 ARG H H 1 8.562 . . . . . . . . 364 R HN . 52861 1 28 . 1 . 1 12 12 ARG C C 13 176.335 . . . . . . . . 364 R CO . 52861 1 29 . 1 . 1 12 12 ARG CA C 13 56.105 . . . . . . . . 364 R CA . 52861 1 30 . 1 . 1 12 12 ARG CB C 13 30.931 . . . . . . . . 364 R CB . 52861 1 31 . 1 . 1 12 12 ARG N N 15 121.894 . . . . . . . . 364 R N . 52861 1 32 . 1 . 1 13 13 ALA H H 1 8.584 . . . . . . . . 365 A HN . 52861 1 33 . 1 . 1 13 13 ALA C C 13 177.831 . . . . . . . . 365 A CO . 52861 1 34 . 1 . 1 13 13 ALA CA C 13 52.623 . . . . . . . . 365 A CA . 52861 1 35 . 1 . 1 13 13 ALA CB C 13 19.330 . . . . . . . . 365 A CB . 52861 1 36 . 1 . 1 13 13 ALA N N 15 126.028 . . . . . . . . 365 A N . 52861 1 37 . 1 . 1 14 14 SER H H 1 8.466 . . . . . . . . 366 S HN . 52861 1 38 . 1 . 1 14 14 SER C C 13 174.652 . . . . . . . . 366 S CO . 52861 1 39 . 1 . 1 14 14 SER CA C 13 58.248 . . . . . . . . 366 S CA . 52861 1 40 . 1 . 1 14 14 SER CB C 13 63.810 . . . . . . . . 366 S CB . 52861 1 41 . 1 . 1 14 14 SER N N 15 115.496 . . . . . . . . 366 S N . 52861 1 42 . 1 . 1 15 15 LEU H H 1 8.481 . . . . . . . . 367 L HN . 52861 1 43 . 1 . 1 15 15 LEU C C 13 176.935 . . . . . . . . 367 L CO . 52861 1 44 . 1 . 1 15 15 LEU CA C 13 55.199 . . . . . . . . 367 L CA . 52861 1 45 . 1 . 1 15 15 LEU CB C 13 42.359 . . . . . . . . 367 L CB . 52861 1 46 . 1 . 1 15 15 LEU N N 15 124.396 . . . . . . . . 367 L N . 52861 1 47 . 1 . 1 16 16 SER H H 1 8.484 . . . . . . . . 368 S HN . 52861 1 48 . 1 . 1 16 16 SER C C 13 174.779 . . . . . . . . 368 S CO . 52861 1 49 . 1 . 1 16 16 SER CA C 13 58.420 . . . . . . . . 368 S CA . 52861 1 50 . 1 . 1 16 16 SER CB C 13 63.747 . . . . . . . . 368 S CB . 52861 1 51 . 1 . 1 16 16 SER N N 15 116.884 . . . . . . . . 368 S N . 52861 1 52 . 1 . 1 17 17 SER H H 1 8.461 . . . . . . . . 369 S HN . 52861 1 53 . 1 . 1 17 17 SER C C 13 174.369 . . . . . . . . 369 S CO . 52861 1 54 . 1 . 1 17 17 SER CA C 13 58.478 . . . . . . . . 369 S CA . 52861 1 55 . 1 . 1 17 17 SER CB C 13 63.732 . . . . . . . . 369 S CB . 52861 1 56 . 1 . 1 17 17 SER N N 15 117.761 . . . . . . . . 369 S N . 52861 1 57 . 1 . 1 18 18 ASP H H 1 8.447 . . . . . . . . 370 D HN . 52861 1 58 . 1 . 1 18 18 ASP C C 13 176.946 . . . . . . . . 370 D CO . 52861 1 59 . 1 . 1 18 18 ASP CA C 13 54.447 . . . . . . . . 370 D CA . 52861 1 60 . 1 . 1 18 18 ASP CB C 13 41.041 . . . . . . . . 370 D CB . 52861 1 61 . 1 . 1 18 18 ASP N N 15 122.558 . . . . . . . . 370 D N . 52861 1 62 . 1 . 1 19 19 THR H H 1 8.335 . . . . . . . . 371 T HN . 52861 1 63 . 1 . 1 19 19 THR C C 13 175.211 . . . . . . . . 371 T CO . 52861 1 64 . 1 . 1 19 19 THR CA C 13 62.122 . . . . . . . . 371 T CA . 52861 1 65 . 1 . 1 19 19 THR CB C 13 69.376 . . . . . . . . 371 T CB . 52861 1 66 . 1 . 1 19 19 THR N N 15 115.027 . . . . . . . . 371 T N . 52861 1 67 . 1 . 1 20 20 SER H H 1 8.475 . . . . . . . . 372 S HN . 52861 1 68 . 1 . 1 20 20 SER C C 13 174.605 . . . . . . . . 372 S CO . 52861 1 69 . 1 . 1 20 20 SER CA C 13 59.110 . . . . . . . . 372 S CA . 52861 1 70 . 1 . 1 20 20 SER CB C 13 63.740 . . . . . . . . 372 S CB . 52861 1 71 . 1 . 1 20 20 SER N N 15 118.708 . . . . . . . . 372 S N . 52861 1 72 . 1 . 1 21 21 ALA H H 1 8.347 . . . . . . . . 373 A HN . 52861 1 73 . 1 . 1 21 21 ALA C C 13 177.853 . . . . . . . . 373 A CO . 52861 1 74 . 1 . 1 21 21 ALA CA C 13 52.717 . . . . . . . . 373 A CA . 52861 1 75 . 1 . 1 21 21 ALA CB C 13 19.131 . . . . . . . . 373 A CB . 52861 1 76 . 1 . 1 21 21 ALA N N 15 125.795 . . . . . . . . 373 A N . 52861 1 77 . 1 . 1 22 22 LEU H H 1 8.200 . . . . . . . . 374 L HN . 52861 1 78 . 1 . 1 22 22 LEU C C 13 177.497 . . . . . . . . 374 L CO . 52861 1 79 . 1 . 1 22 22 LEU CA C 13 55.223 . . . . . . . . 374 L CA . 52861 1 80 . 1 . 1 22 22 LEU CB C 13 42.243 . . . . . . . . 374 L CB . 52861 1 81 . 1 . 1 22 22 LEU N N 15 120.871 . . . . . . . . 374 L N . 52861 1 82 . 1 . 1 23 23 SER H H 1 8.258 . . . . . . . . 375 S HN . 52861 1 83 . 1 . 1 23 23 SER C C 13 174.434 . . . . . . . . 375 S CO . 52861 1 84 . 1 . 1 23 23 SER CA C 13 58.050 . . . . . . . . 375 S CA . 52861 1 85 . 1 . 1 23 23 SER CB C 13 63.874 . . . . . . . . 375 S CB . 52861 1 86 . 1 . 1 23 23 SER N N 15 116.101 . . . . . . . . 375 S N . 52861 1 87 . 1 . 1 24 24 TYR H H 1 8.327 . . . . . . . . 376 Y HN . 52861 1 88 . 1 . 1 24 24 TYR C C 13 175.639 . . . . . . . . 376 Y CO . 52861 1 89 . 1 . 1 24 24 TYR CA C 13 58.190 . . . . . . . . 376 Y CA . 52861 1 90 . 1 . 1 24 24 TYR CB C 13 38.752 . . . . . . . . 376 Y CB . 52861 1 91 . 1 . 1 24 24 TYR N N 15 122.521 . . . . . . . . 376 Y N . 52861 1 92 . 1 . 1 25 25 ASP H H 1 8.360 . . . . . . . . 377 D HN . 52861 1 93 . 1 . 1 25 25 ASP C C 13 176.265 . . . . . . . . 377 D CO . 52861 1 94 . 1 . 1 25 25 ASP CA C 13 54.331 . . . . . . . . 377 D CA . 52861 1 95 . 1 . 1 25 25 ASP CB C 13 41.122 . . . . . . . . 377 D CB . 52861 1 96 . 1 . 1 25 25 ASP N N 15 121.635 . . . . . . . . 377 D N . 52861 1 97 . 1 . 1 26 26 SER H H 1 8.241 . . . . . . . . 378 S HN . 52861 1 98 . 1 . 1 26 26 SER C C 13 174.917 . . . . . . . . 378 S CO . 52861 1 99 . 1 . 1 26 26 SER CA C 13 58.961 . . . . . . . . 378 S CA . 52861 1 100 . 1 . 1 26 26 SER CB C 13 63.705 . . . . . . . . 378 S CB . 52861 1 101 . 1 . 1 26 26 SER N N 15 116.514 . . . . . . . . 378 S N . 52861 1 102 . 1 . 1 27 27 VAL H H 1 8.181 . . . . . . . . 379 V HN . 52861 1 103 . 1 . 1 27 27 VAL C C 13 176.304 . . . . . . . . 379 V CO . 52861 1 104 . 1 . 1 27 27 VAL CA C 13 62.985 . . . . . . . . 379 V CA . 52861 1 105 . 1 . 1 27 27 VAL CB C 13 32.393 . . . . . . . . 379 V CB . 52861 1 106 . 1 . 1 27 27 VAL N N 15 122.239 . . . . . . . . 379 V N . 52861 1 107 . 1 . 1 28 28 LYS H H 1 8.272 . . . . . . . . 380 K HN . 52861 1 108 . 1 . 1 28 28 LYS C C 13 176.305 . . . . . . . . 380 K CO . 52861 1 109 . 1 . 1 28 28 LYS CA C 13 56.331 . . . . . . . . 380 K CA . 52861 1 110 . 1 . 1 28 28 LYS CB C 13 33.072 . . . . . . . . 380 K CB . 52861 1 111 . 1 . 1 28 28 LYS N N 15 124.177 . . . . . . . . 380 K N . 52861 1 112 . 1 . 1 29 29 TYR H H 1 8.264 . . . . . . . . 381 Y HN . 52861 1 113 . 1 . 1 29 29 TYR C C 13 175.751 . . . . . . . . 381 Y CO . 52861 1 114 . 1 . 1 29 29 TYR CA C 13 57.881 . . . . . . . . 381 Y CA . 52861 1 115 . 1 . 1 29 29 TYR CB C 13 39.036 . . . . . . . . 381 Y CB . 52861 1 116 . 1 . 1 29 29 TYR N N 15 121.281 . . . . . . . . 381 Y N . 52861 1 117 . 1 . 1 30 30 THR H H 1 8.160 . . . . . . . . 382 T HN . 52861 1 118 . 1 . 1 30 30 THR C C 13 173.689 . . . . . . . . 382 T CO . 52861 1 119 . 1 . 1 30 30 THR CA C 13 61.784 . . . . . . . . 382 T CA . 52861 1 120 . 1 . 1 30 30 THR CB C 13 70.012 . . . . . . . . 382 T CB . 52861 1 121 . 1 . 1 30 30 THR N N 15 117.029 . . . . . . . . 382 T N . 52861 1 122 . 1 . 1 31 31 LEU H H 1 8.318 . . . . . . . . 383 L HN . 52861 1 123 . 1 . 1 31 31 LEU C C 13 176.960 . . . . . . . . 383 L CO . 52861 1 124 . 1 . 1 31 31 LEU CA C 13 55.241 . . . . . . . . 383 L CA . 52861 1 125 . 1 . 1 31 31 LEU CB C 13 42.441 . . . . . . . . 383 L CB . 52861 1 126 . 1 . 1 31 31 LEU N N 15 125.683 . . . . . . . . 383 L N . 52861 1 127 . 1 . 1 32 32 VAL H H 1 8.384 . . . . . . . . 384 V HN . 52861 1 128 . 1 . 1 32 32 VAL C C 13 176.096 . . . . . . . . 384 V CO . 52861 1 129 . 1 . 1 32 32 VAL CA C 13 62.358 . . . . . . . . 384 V CA . 52861 1 130 . 1 . 1 32 32 VAL CB C 13 32.785 . . . . . . . . 384 V CB . 52861 1 131 . 1 . 1 32 32 VAL N N 15 123.889 . . . . . . . . 384 V N . 52861 1 132 . 1 . 1 33 33 VAL H H 1 8.467 . . . . . . . . 385 V HN . 52861 1 133 . 1 . 1 33 33 VAL C C 13 175.708 . . . . . . . . 385 V CO . 52861 1 134 . 1 . 1 33 33 VAL CA C 13 62.213 . . . . . . . . 385 V CA . 52861 1 135 . 1 . 1 33 33 VAL CB C 13 33.007 . . . . . . . . 385 V CB . 52861 1 136 . 1 . 1 33 33 VAL N N 15 125.745 . . . . . . . . 385 V N . 52861 1 137 . 1 . 1 34 34 ASP H H 1 8.567 . . . . . . . . 386 D HN . 52861 1 138 . 1 . 1 34 34 ASP C C 13 176.547 . . . . . . . . 386 D CO . 52861 1 139 . 1 . 1 34 34 ASP CA C 13 53.933 . . . . . . . . 386 D CA . 52861 1 140 . 1 . 1 34 34 ASP CB C 13 41.281 . . . . . . . . 386 D CB . 52861 1 141 . 1 . 1 34 34 ASP N N 15 125.170 . . . . . . . . 386 D N . 52861 1 142 . 1 . 1 35 35 GLU H H 1 8.751 . . . . . . . . 387 E HN . 52861 1 143 . 1 . 1 35 35 GLU C C 13 176.877 . . . . . . . . 387 E CO . 52861 1 144 . 1 . 1 35 35 GLU CA C 13 57.506 . . . . . . . . 387 E CA . 52861 1 145 . 1 . 1 35 35 GLU CB C 13 29.934 . . . . . . . . 387 E CB . 52861 1 146 . 1 . 1 35 35 GLU N N 15 123.147 . . . . . . . . 387 E N . 52861 1 147 . 1 . 1 36 36 HIS H H 1 8.549 . . . . . . . . 388 H HN . 52861 1 148 . 1 . 1 36 36 HIS C C 13 175.276 . . . . . . . . 388 H CO . 52861 1 149 . 1 . 1 36 36 HIS CA C 13 56.335 . . . . . . . . 388 H CA . 52861 1 150 . 1 . 1 36 36 HIS CB C 13 29.523 . . . . . . . . 388 H CB . 52861 1 151 . 1 . 1 36 36 HIS N N 15 119.053 . . . . . . . . 388 H N . 52861 1 152 . 1 . 1 37 37 ALA H H 1 8.155 . . . . . . . . 389 A HN . 52861 1 153 . 1 . 1 37 37 ALA C C 13 178.082 . . . . . . . . 389 A CO . 52861 1 154 . 1 . 1 37 37 ALA CA C 13 53.052 . . . . . . . . 389 A CA . 52861 1 155 . 1 . 1 37 37 ALA CB C 13 18.997 . . . . . . . . 389 A CB . 52861 1 156 . 1 . 1 37 37 ALA N N 15 124.189 . . . . . . . . 389 A N . 52861 1 157 . 1 . 1 38 38 GLN H H 1 8.466 . . . . . . . . 390 Q HN . 52861 1 158 . 1 . 1 38 38 GLN C C 13 176.355 . . . . . . . . 390 Q CO . 52861 1 159 . 1 . 1 38 38 GLN CA C 13 56.010 . . . . . . . . 390 Q CA . 52861 1 160 . 1 . 1 38 38 GLN CB C 13 29.190 . . . . . . . . 390 Q CB . 52861 1 161 . 1 . 1 38 38 GLN N N 15 119.511 . . . . . . . . 390 Q N . 52861 1 162 . 1 . 1 39 39 LEU H H 1 8.322 . . . . . . . . 391 L HN . 52861 1 163 . 1 . 1 39 39 LEU C C 13 177.708 . . . . . . . . 391 L CO . 52861 1 164 . 1 . 1 39 39 LEU CA C 13 55.548 . . . . . . . . 391 L CA . 52861 1 165 . 1 . 1 39 39 LEU CB C 13 42.323 . . . . . . . . 391 L CB . 52861 1 166 . 1 . 1 39 39 LEU N N 15 123.315 . . . . . . . . 391 L N . 52861 1 167 . 1 . 1 40 40 GLU H H 1 8.471 . . . . . . . . 392 E HN . 52861 1 168 . 1 . 1 40 40 GLU C C 13 176.495 . . . . . . . . 392 E CO . 52861 1 169 . 1 . 1 40 40 GLU CA C 13 56.585 . . . . . . . . 392 E CA . 52861 1 170 . 1 . 1 40 40 GLU CB C 13 30.202 . . . . . . . . 392 E CB . 52861 1 171 . 1 . 1 40 40 GLU N N 15 121.641 . . . . . . . . 392 E N . 52861 1 172 . 1 . 1 41 41 LEU H H 1 8.321 . . . . . . . . 393 L HN . 52861 1 173 . 1 . 1 41 41 LEU C C 13 177.680 . . . . . . . . 393 L CO . 52861 1 174 . 1 . 1 41 41 LEU CA C 13 55.411 . . . . . . . . 393 L CA . 52861 1 175 . 1 . 1 41 41 LEU CB C 13 42.220 . . . . . . . . 393 L CB . 52861 1 176 . 1 . 1 41 41 LEU N N 15 123.409 . . . . . . . . 393 L N . 52861 1 177 . 1 . 1 42 42 VAL H H 1 8.235 . . . . . . . . 394 V HN . 52861 1 178 . 1 . 1 42 42 VAL C C 13 176.322 . . . . . . . . 394 V CO . 52861 1 179 . 1 . 1 42 42 VAL CA C 13 62.542 . . . . . . . . 394 V CA . 52861 1 180 . 1 . 1 42 42 VAL CB C 13 32.788 . . . . . . . . 394 V CB . 52861 1 181 . 1 . 1 42 42 VAL N N 15 121.381 . . . . . . . . 394 V N . 52861 1 182 . 1 . 1 43 43 SER H H 1 8.449 . . . . . . . . 395 S HN . 52861 1 183 . 1 . 1 43 43 SER C C 13 174.413 . . . . . . . . 395 S CO . 52861 1 184 . 1 . 1 43 43 SER CA C 13 58.282 . . . . . . . . 395 S CA . 52861 1 185 . 1 . 1 43 43 SER CB C 13 63.704 . . . . . . . . 395 S CB . 52861 1 186 . 1 . 1 43 43 SER N N 15 119.528 . . . . . . . . 395 S N . 52861 1 187 . 1 . 1 44 44 LEU H H 1 8.369 . . . . . . . . 396 L HN . 52861 1 188 . 1 . 1 44 44 LEU C C 13 177.156 . . . . . . . . 396 L CO . 52861 1 189 . 1 . 1 44 44 LEU CA C 13 55.010 . . . . . . . . 396 L CA . 52861 1 190 . 1 . 1 44 44 LEU CB C 13 42.336 . . . . . . . . 396 L CB . 52861 1 191 . 1 . 1 44 44 LEU N N 15 124.613 . . . . . . . . 396 L N . 52861 1 192 . 1 . 1 45 45 ARG H H 1 8.369 . . . . . . . . 397 R HN . 52861 1 193 . 1 . 1 45 45 ARG C C 13 174.180 . . . . . . . . 397 R CO . 52861 1 194 . 1 . 1 45 45 ARG CA C 13 53.997 . . . . . . . . 397 R CA . 52861 1 195 . 1 . 1 45 45 ARG CB C 13 30.235 . . . . . . . . 397 R CB . 52861 1 196 . 1 . 1 45 45 ARG N N 15 123.262 . . . . . . . . 397 R N . 52861 1 197 . 1 . 1 46 46 PRO C C 13 176.705 . . . . . . . . 398 P CO . 52861 1 198 . 1 . 1 46 46 PRO CA C 13 63.076 . . . . . . . . 398 P CA . 52861 1 199 . 1 . 1 46 46 PRO CB C 13 32.148 . . . . . . . . 398 P CB . 52861 1 200 . 1 . 1 47 47 CYS H H 1 8.573 . . . . . . . . 399 C HN . 52861 1 201 . 1 . 1 47 47 CYS C C 13 174.416 . . . . . . . . 399 C CO . 52861 1 202 . 1 . 1 47 47 CYS CA C 13 58.478 . . . . . . . . 399 C CA . 52861 1 203 . 1 . 1 47 47 CYS CB C 13 28.133 . . . . . . . . 399 C CB . 52861 1 204 . 1 . 1 47 47 CYS N N 15 119.784 . . . . . . . . 399 C N . 52861 1 205 . 1 . 1 48 48 PHE H H 1 8.461 . . . . . . . . 400 F HN . 52861 1 206 . 1 . 1 48 48 PHE C C 13 176.177 . . . . . . . . 400 F CO . 52861 1 207 . 1 . 1 48 48 PHE CA C 13 57.990 . . . . . . . . 400 F CA . 52861 1 208 . 1 . 1 48 48 PHE CB C 13 39.693 . . . . . . . . 400 F CB . 52861 1 209 . 1 . 1 48 48 PHE N N 15 122.689 . . . . . . . . 400 F N . 52861 1 210 . 1 . 1 49 49 GLY H H 1 8.426 . . . . . . . . 401 G HN . 52861 1 211 . 1 . 1 49 49 GLY C C 13 173.483 . . . . . . . . 401 G CO . 52861 1 212 . 1 . 1 49 49 GLY CA C 13 45.167 . . . . . . . . 401 G CA . 52861 1 213 . 1 . 1 49 49 GLY N N 15 110.870 . . . . . . . . 401 G N . 52861 1 214 . 1 . 1 50 50 ASP H H 1 8.238 . . . . . . . . 402 D HN . 52861 1 215 . 1 . 1 50 50 ASP C C 13 175.976 . . . . . . . . 402 D CO . 52861 1 216 . 1 . 1 50 50 ASP CA C 13 54.182 . . . . . . . . 402 D CA . 52861 1 217 . 1 . 1 50 50 ASP CB C 13 41.174 . . . . . . . . 402 D CB . 52861 1 218 . 1 . 1 50 50 ASP N N 15 120.593 . . . . . . . . 402 D N . 52861 1 219 . 1 . 1 51 51 TYR H H 1 8.305 . . . . . . . . 403 Y HN . 52861 1 220 . 1 . 1 51 51 TYR C C 13 175.861 . . . . . . . . 403 Y CO . 52861 1 221 . 1 . 1 51 51 TYR CA C 13 57.908 . . . . . . . . 403 Y CA . 52861 1 222 . 1 . 1 51 51 TYR CB C 13 38.701 . . . . . . . . 403 Y CB . 52861 1 223 . 1 . 1 51 51 TYR N N 15 121.008 . . . . . . . . 403 Y N . 52861 1 224 . 1 . 1 52 52 SER H H 1 8.282 . . . . . . . . 404 S HN . 52861 1 225 . 1 . 1 52 52 SER C C 13 174.025 . . . . . . . . 404 S CO . 52861 1 226 . 1 . 1 52 52 SER CA C 13 58.251 . . . . . . . . 404 S CA . 52861 1 227 . 1 . 1 52 52 SER CB C 13 64.057 . . . . . . . . 404 S CB . 52861 1 228 . 1 . 1 52 52 SER N N 15 118.098 . . . . . . . . 404 S N . 52861 1 229 . 1 . 1 53 53 ASP H H 1 8.528 . . . . . . . . 405 D HN . 52861 1 230 . 1 . 1 53 53 ASP C C 13 176.561 . . . . . . . . 405 D CO . 52861 1 231 . 1 . 1 53 53 ASP CA C 13 54.393 . . . . . . . . 405 D CA . 52861 1 232 . 1 . 1 53 53 ASP CB C 13 41.243 . . . . . . . . 405 D CB . 52861 1 233 . 1 . 1 53 53 ASP N N 15 123.008 . . . . . . . . 405 D N . 52861 1 234 . 1 . 1 54 54 GLU H H 1 8.527 . . . . . . . . 406 E HN . 52861 1 235 . 1 . 1 54 54 GLU C C 13 177.764 . . . . . . . . 406 E CO . 52861 1 236 . 1 . 1 54 54 GLU CA C 13 55.207 . . . . . . . . 406 E CA . 52861 1 237 . 1 . 1 54 54 GLU CB C 13 30.035 . . . . . . . . 406 E CB . 52861 1 238 . 1 . 1 54 54 GLU N N 15 121.722 . . . . . . . . 406 E N . 52861 1 239 . 1 . 1 55 55 SER H H 1 8.489 . . . . . . . . 407 S HN . 52861 1 240 . 1 . 1 55 55 SER C C 13 174.672 . . . . . . . . 407 S CO . 52861 1 241 . 1 . 1 55 55 SER CA C 13 58.998 . . . . . . . . 407 S CA . 52861 1 242 . 1 . 1 55 55 SER CB C 13 63.864 . . . . . . . . 407 S CB . 52861 1 243 . 1 . 1 55 55 SER N N 15 116.734 . . . . . . . . 407 S N . 52861 1 244 . 1 . 1 56 56 ASP H H 1 8.507 . . . . . . . . 408 D HN . 52861 1 245 . 1 . 1 56 56 ASP C C 13 176.624 . . . . . . . . 408 D CO . 52861 1 246 . 1 . 1 56 56 ASP CA C 13 54.483 . . . . . . . . 408 D CA . 52861 1 247 . 1 . 1 56 56 ASP CB C 13 41.166 . . . . . . . . 408 D CB . 52861 1 248 . 1 . 1 56 56 ASP N N 15 122.693 . . . . . . . . 408 D N . 52861 1 249 . 1 . 1 57 57 SER H H 1 8.337 . . . . . . . . 409 S HN . 52861 1 250 . 1 . 1 57 57 SER C C 13 174.550 . . . . . . . . 409 S CO . 52861 1 251 . 1 . 1 57 57 SER CA C 13 58.748 . . . . . . . . 409 S CA . 52861 1 252 . 1 . 1 57 57 SER CB C 13 63.702 . . . . . . . . 409 S CB . 52861 1 253 . 1 . 1 57 57 SER N N 15 116.466 . . . . . . . . 409 S N . 52861 1 254 . 1 . 1 58 58 ALA H H 1 8.406 . . . . . . . . 410 A HN . 52861 1 255 . 1 . 1 58 58 ALA C C 13 178.063 . . . . . . . . 410 A CO . 52861 1 256 . 1 . 1 58 58 ALA CA C 13 52.771 . . . . . . . . 410 A CA . 52861 1 257 . 1 . 1 58 58 ALA CB C 13 19.295 . . . . . . . . 410 A CB . 52861 1 258 . 1 . 1 58 58 ALA N N 15 125.804 . . . . . . . . 410 A N . 52861 1 259 . 1 . 1 59 59 THR H H 1 8.231 . . . . . . . . 411 T HN . 52861 1 260 . 1 . 1 59 59 THR C C 13 174.293 . . . . . . . . 411 T CO . 52861 1 261 . 1 . 1 59 59 THR CA C 13 62.445 . . . . . . . . 411 T CA . 52861 1 262 . 1 . 1 59 59 THR CB C 13 69.843 . . . . . . . . 411 T CB . 52861 1 263 . 1 . 1 59 59 THR N N 15 115.089 . . . . . . . . 411 T N . 52861 1 264 . 1 . 1 60 60 VAL H H 1 8.233 . . . . . . . . 412 V HN . 52861 1 265 . 1 . 1 60 60 VAL C C 13 175.780 . . . . . . . . 412 V CO . 52861 1 266 . 1 . 1 60 60 VAL CA C 13 62.257 . . . . . . . . 412 V CA . 52861 1 267 . 1 . 1 60 60 VAL CB C 13 32.831 . . . . . . . . 412 V CB . 52861 1 268 . 1 . 1 60 60 VAL N N 15 123.741 . . . . . . . . 412 V N . 52861 1 269 . 1 . 1 61 61 TYR H H 1 8.456 . . . . . . . . 413 Y HN . 52861 1 270 . 1 . 1 61 61 TYR C C 13 175.524 . . . . . . . . 413 Y CO . 52861 1 271 . 1 . 1 61 61 TYR CA C 13 57.853 . . . . . . . . 413 Y CA . 52861 1 272 . 1 . 1 61 61 TYR CB C 13 38.998 . . . . . . . . 413 Y CB . 52861 1 273 . 1 . 1 61 61 TYR N N 15 124.795 . . . . . . . . 413 Y N . 52861 1 274 . 1 . 1 62 62 ASP H H 1 8.383 . . . . . . . . 414 D HN . 52861 1 275 . 1 . 1 62 62 ASP C C 13 175.952 . . . . . . . . 414 D CO . 52861 1 276 . 1 . 1 62 62 ASP CA C 13 54.139 . . . . . . . . 414 D CA . 52861 1 277 . 1 . 1 62 62 ASP CB C 13 41.288 . . . . . . . . 414 D CB . 52861 1 278 . 1 . 1 62 62 ASP N N 15 122.698 . . . . . . . . 414 D N . 52861 1 279 . 1 . 1 63 63 ASN H H 1 8.500 . . . . . . . . 415 N HN . 52861 1 280 . 1 . 1 63 63 ASN C C 13 175.528 . . . . . . . . 415 N CO . 52861 1 281 . 1 . 1 63 63 ASN CA C 13 53.448 . . . . . . . . 415 N CA . 52861 1 282 . 1 . 1 63 63 ASN CB C 13 38.694 . . . . . . . . 415 N CB . 52861 1 283 . 1 . 1 63 63 ASN N N 15 119.918 . . . . . . . . 415 N N . 52861 1 284 . 1 . 1 64 64 CYS H H 1 8.461 . . . . . . . . 416 C HN . 52861 1 285 . 1 . 1 64 64 CYS C C 13 174.585 . . . . . . . . 416 C CO . 52861 1 286 . 1 . 1 64 64 CYS CA C 13 58.940 . . . . . . . . 416 C CA . 52861 1 287 . 1 . 1 64 64 CYS CB C 13 27.899 . . . . . . . . 416 C CB . 52861 1 288 . 1 . 1 64 64 CYS N N 15 119.412 . . . . . . . . 416 C N . 52861 1 289 . 1 . 1 65 65 ALA H H 1 8.407 . . . . . . . . 417 A HN . 52861 1 290 . 1 . 1 65 65 ALA C C 13 177.881 . . . . . . . . 417 A CO . 52861 1 291 . 1 . 1 65 65 ALA CA C 13 52.772 . . . . . . . . 417 A CA . 52861 1 292 . 1 . 1 65 65 ALA CB C 13 19.222 . . . . . . . . 417 A CB . 52861 1 293 . 1 . 1 65 65 ALA N N 15 126.014 . . . . . . . . 417 A N . 52861 1 294 . 1 . 1 66 66 SER H H 1 8.403 . . . . . . . . 418 S HN . 52861 1 295 . 1 . 1 66 66 SER C C 13 174.646 . . . . . . . . 418 S CO . 52861 1 296 . 1 . 1 66 66 SER CA C 13 58.318 . . . . . . . . 418 S CA . 52861 1 297 . 1 . 1 66 66 SER CB C 13 63.753 . . . . . . . . 418 S CB . 52861 1 298 . 1 . 1 66 66 SER N N 15 115.568 . . . . . . . . 418 S N . 52861 1 299 . 1 . 1 67 67 VAL H H 1 8.302 . . . . . . . . 419 V HN . 52861 1 300 . 1 . 1 67 67 VAL C C 13 176.281 . . . . . . . . 419 V CO . 52861 1 301 . 1 . 1 67 67 VAL CA C 13 62.083 . . . . . . . . 419 V CA . 52861 1 302 . 1 . 1 67 67 VAL CB C 13 32.985 . . . . . . . . 419 V CB . 52861 1 303 . 1 . 1 67 67 VAL N N 15 121.892 . . . . . . . . 419 V N . 52861 1 304 . 1 . 1 68 68 SER H H 1 8.522 . . . . . . . . 420 S HN . 52861 1 305 . 1 . 1 68 68 SER C C 13 174.177 . . . . . . . . 420 S CO . 52861 1 306 . 1 . 1 68 68 SER CA C 13 58.213 . . . . . . . . 420 S CA . 52861 1 307 . 1 . 1 68 68 SER CB C 13 63.893 . . . . . . . . 420 S CB . 52861 1 308 . 1 . 1 68 68 SER N N 15 119.966 . . . . . . . . 420 S N . 52861 1 309 . 1 . 1 69 69 SER H H 1 8.552 . . . . . . . . 421 S HN . 52861 1 310 . 1 . 1 69 69 SER C C 13 173.117 . . . . . . . . 421 S CO . 52861 1 311 . 1 . 1 69 69 SER CA C 13 56.255 . . . . . . . . 421 S CA . 52861 1 312 . 1 . 1 69 69 SER CB C 13 63.524 . . . . . . . . 421 S CB . 52861 1 313 . 1 . 1 69 69 SER N N 15 119.313 . . . . . . . . 421 S N . 52861 1 314 . 1 . 1 70 70 PRO C C 13 176.679 . . . . . . . . 422 P CO . 52861 1 315 . 1 . 1 70 70 PRO CA C 13 63.398 . . . . . . . . 422 P CA . 52861 1 316 . 1 . 1 70 70 PRO CB C 13 31.958 . . . . . . . . 422 P CB . 52861 1 317 . 1 . 1 71 71 TYR H H 1 8.225 . . . . . . . . 423 Y HN . 52861 1 318 . 1 . 1 71 71 TYR C C 13 175.800 . . . . . . . . 423 Y CO . 52861 1 319 . 1 . 1 71 71 TYR CA C 13 57.910 . . . . . . . . 423 Y CA . 52861 1 320 . 1 . 1 71 71 TYR CB C 13 38.695 . . . . . . . . 423 Y CB . 52861 1 321 . 1 . 1 71 71 TYR N N 15 120.161 . . . . . . . . 423 Y N . 52861 1 322 . 1 . 1 72 72 GLU H H 1 8.216 . . . . . . . . 424 E HN . 52861 1 323 . 1 . 1 72 72 GLU C C 13 175.955 . . . . . . . . 424 E CO . 52861 1 324 . 1 . 1 72 72 GLU CA C 13 56.169 . . . . . . . . 424 E CA . 52861 1 325 . 1 . 1 72 72 GLU CB C 13 30.752 . . . . . . . . 424 E CB . 52861 1 326 . 1 . 1 72 72 GLU N N 15 123.180 . . . . . . . . 424 E N . 52861 1 327 . 1 . 1 73 73 SER H H 1 8.392 . . . . . . . . 425 S HN . 52861 1 328 . 1 . 1 73 73 SER C C 13 174.242 . . . . . . . . 425 S CO . 52861 1 329 . 1 . 1 73 73 SER CA C 13 58.349 . . . . . . . . 425 S CA . 52861 1 330 . 1 . 1 73 73 SER CB C 13 63.869 . . . . . . . . 425 S CB . 52861 1 331 . 1 . 1 73 73 SER N N 15 117.514 . . . . . . . . 425 S N . 52861 1 332 . 1 . 1 74 74 ALA H H 1 8.532 . . . . . . . . 426 A HN . 52861 1 333 . 1 . 1 74 74 ALA C C 13 177.748 . . . . . . . . 426 A CO . 52861 1 334 . 1 . 1 74 74 ALA CA C 13 52.404 . . . . . . . . 426 A CA . 52861 1 335 . 1 . 1 74 74 ALA CB C 13 19.300 . . . . . . . . 426 A CB . 52861 1 336 . 1 . 1 74 74 ALA N N 15 126.724 . . . . . . . . 426 A N . 52861 1 337 . 1 . 1 75 75 ILE H H 1 8.279 . . . . . . . . 427 I HN . 52861 1 338 . 1 . 1 75 75 ILE C C 13 176.999 . . . . . . . . 427 I CO . 52861 1 339 . 1 . 1 75 75 ILE CA C 13 61.427 . . . . . . . . 427 I CA . 52861 1 340 . 1 . 1 75 75 ILE CB C 13 38.653 . . . . . . . . 427 I CB . 52861 1 341 . 1 . 1 75 75 ILE N N 15 120.501 . . . . . . . . 427 I N . 52861 1 342 . 1 . 1 76 76 GLY H H 1 8.616 . . . . . . . . 428 G HN . 52861 1 343 . 1 . 1 76 76 GLY C C 13 174.178 . . . . . . . . 428 G CO . 52861 1 344 . 1 . 1 76 76 GLY CA C 13 45.197 . . . . . . . . 428 G CA . 52861 1 345 . 1 . 1 76 76 GLY N N 15 113.467 . . . . . . . . 428 G N . 52861 1 346 . 1 . 1 77 77 GLU H H 1 8.366 . . . . . . . . 429 E HN . 52861 1 347 . 1 . 1 77 77 GLU C C 13 176.580 . . . . . . . . 429 E CO . 52861 1 348 . 1 . 1 77 77 GLU CA C 13 56.491 . . . . . . . . 429 E CA . 52861 1 349 . 1 . 1 77 77 GLU CB C 13 30.429 . . . . . . . . 429 E CB . 52861 1 350 . 1 . 1 77 77 GLU N N 15 120.839 . . . . . . . . 429 E N . 52861 1 351 . 1 . 1 78 78 GLU H H 1 8.703 . . . . . . . . 430 E HN . 52861 1 352 . 1 . 1 78 78 GLU C C 13 176.129 . . . . . . . . 430 E CO . 52861 1 353 . 1 . 1 78 78 GLU CA C 13 56.560 . . . . . . . . 430 E CA . 52861 1 354 . 1 . 1 78 78 GLU CB C 13 30.222 . . . . . . . . 430 E CB . 52861 1 355 . 1 . 1 78 78 GLU N N 15 121.865 . . . . . . . . 430 E N . 52861 1 356 . 1 . 1 79 79 TYR H H 1 8.333 . . . . . . . . 431 Y HN . 52861 1 357 . 1 . 1 79 79 TYR C C 13 175.468 . . . . . . . . 431 Y CO . 52861 1 358 . 1 . 1 79 79 TYR CA C 13 57.825 . . . . . . . . 431 Y CA . 52861 1 359 . 1 . 1 79 79 TYR CB C 13 39.035 . . . . . . . . 431 Y CB . 52861 1 360 . 1 . 1 79 79 TYR N N 15 121.669 . . . . . . . . 431 Y N . 52861 1 361 . 1 . 1 80 80 GLU H H 1 8.282 . . . . . . . . 432 E HN . 52861 1 362 . 1 . 1 80 80 GLU C C 13 175.667 . . . . . . . . 432 E CO . 52861 1 363 . 1 . 1 80 80 GLU CA C 13 55.969 . . . . . . . . 432 E CA . 52861 1 364 . 1 . 1 80 80 GLU CB C 13 30.981 . . . . . . . . 432 E CB . 52861 1 365 . 1 . 1 80 80 GLU N N 15 123.948 . . . . . . . . 432 E N . 52861 1 366 . 1 . 1 81 81 GLU H H 1 8.520 . . . . . . . . 433 E HN . 52861 1 367 . 1 . 1 81 81 GLU C C 13 175.857 . . . . . . . . 433 E CO . 52861 1 368 . 1 . 1 81 81 GLU CA C 13 56.236 . . . . . . . . 433 E CA . 52861 1 369 . 1 . 1 81 81 GLU CB C 13 30.531 . . . . . . . . 433 E CB . 52861 1 370 . 1 . 1 81 81 GLU N N 15 123.247 . . . . . . . . 433 E N . 52861 1 371 . 1 . 1 82 82 ALA H H 1 8.509 . . . . . . . . 434 A HN . 52861 1 372 . 1 . 1 82 82 ALA C C 13 175.358 . . . . . . . . 434 A CO . 52861 1 373 . 1 . 1 82 82 ALA CA C 13 50.567 . . . . . . . . 434 A CA . 52861 1 374 . 1 . 1 82 82 ALA CB C 13 17.977 . . . . . . . . 434 A CB . 52861 1 375 . 1 . 1 82 82 ALA N N 15 127.378 . . . . . . . . 434 A N . 52861 1 376 . 1 . 1 83 83 PRO C C 13 176.805 . . . . . . . . 435 P CO . 52861 1 377 . 1 . 1 83 83 PRO CA C 13 62.776 . . . . . . . . 435 P CA . 52861 1 378 . 1 . 1 83 83 PRO CB C 13 32.107 . . . . . . . . 435 P CB . 52861 1 379 . 1 . 1 84 84 ARG H H 1 8.674 . . . . . . . . 436 R HN . 52861 1 380 . 1 . 1 84 84 ARG C C 13 174.503 . . . . . . . . 436 R CO . 52861 1 381 . 1 . 1 84 84 ARG CA C 13 53.892 . . . . . . . . 436 R CA . 52861 1 382 . 1 . 1 84 84 ARG CB C 13 29.976 . . . . . . . . 436 R CB . 52861 1 383 . 1 . 1 84 84 ARG N N 15 123.387 . . . . . . . . 436 R N . 52861 1 384 . 1 . 1 85 85 PRO C C 13 176.769 . . . . . . . . 437 P CO . 52861 1 385 . 1 . 1 85 85 PRO CA C 13 62.880 . . . . . . . . 437 P CA . 52861 1 386 . 1 . 1 85 85 PRO CB C 13 32.110 . . . . . . . . 437 P CB . 52861 1 387 . 1 . 1 86 86 GLN H H 1 8.694 . . . . . . . . 438 Q HN . 52861 1 388 . 1 . 1 86 86 GLN C C 13 173.751 . . . . . . . . 438 Q CO . 52861 1 389 . 1 . 1 86 86 GLN CA C 13 53.485 . . . . . . . . 438 Q CA . 52861 1 390 . 1 . 1 86 86 GLN CB C 13 29.033 . . . . . . . . 438 Q CB . 52861 1 391 . 1 . 1 86 86 GLN N N 15 122.470 . . . . . . . . 438 Q N . 52861 1 392 . 1 . 1 88 88 PRO C C 13 176.691 . . . . . . . . 440 P CO . 52861 1 393 . 1 . 1 88 88 PRO CA C 13 62.772 . . . . . . . . 440 P CA . 52861 1 394 . 1 . 1 88 88 PRO CB C 13 32.113 . . . . . . . . 440 P CB . 52861 1 395 . 1 . 1 89 89 ALA H H 1 8.595 . . . . . . . . 441 A HN . 52861 1 396 . 1 . 1 89 89 ALA C C 13 177.842 . . . . . . . . 441 A CO . 52861 1 397 . 1 . 1 89 89 ALA CA C 13 52.610 . . . . . . . . 441 A CA . 52861 1 398 . 1 . 1 89 89 ALA CB C 13 19.225 . . . . . . . . 441 A CB . 52861 1 399 . 1 . 1 89 89 ALA N N 15 124.711 . . . . . . . . 441 A N . 52861 1 400 . 1 . 1 90 90 CYS H H 1 8.540 . . . . . . . . 442 C HN . 52861 1 401 . 1 . 1 90 90 CYS C C 13 174.674 . . . . . . . . 442 C CO . 52861 1 402 . 1 . 1 90 90 CYS CA C 13 58.291 . . . . . . . . 442 C CA . 52861 1 403 . 1 . 1 90 90 CYS CB C 13 28.003 . . . . . . . . 442 C CB . 52861 1 404 . 1 . 1 90 90 CYS N N 15 119.040 . . . . . . . . 442 C N . 52861 1 405 . 1 . 1 91 91 LEU H H 1 8.591 . . . . . . . . 443 L HN . 52861 1 406 . 1 . 1 91 91 LEU C C 13 177.488 . . . . . . . . 443 L CO . 52861 1 407 . 1 . 1 91 91 LEU CA C 13 55.222 . . . . . . . . 443 L CA . 52861 1 408 . 1 . 1 91 91 LEU CB C 13 42.287 . . . . . . . . 443 L CB . 52861 1 409 . 1 . 1 91 91 LEU N N 15 125.599 . . . . . . . . 443 L N . 52861 1 410 . 1 . 1 92 92 SER H H 1 8.477 . . . . . . . . 444 S HN . 52861 1 411 . 1 . 1 92 92 SER C C 13 174.775 . . . . . . . . 444 S CO . 52861 1 412 . 1 . 1 92 92 SER CA C 13 58.295 . . . . . . . . 444 S CA . 52861 1 413 . 1 . 1 92 92 SER CB C 13 63.828 . . . . . . . . 444 S CB . 52861 1 414 . 1 . 1 92 92 SER N N 15 117.112 . . . . . . . . 444 S N . 52861 1 415 . 1 . 1 93 93 GLU H H 1 8.696 . . . . . . . . 445 E HN . 52861 1 416 . 1 . 1 93 93 GLU C C 13 176.271 . . . . . . . . 445 E CO . 52861 1 417 . 1 . 1 93 93 GLU CA C 13 56.713 . . . . . . . . 445 E CA . 52861 1 418 . 1 . 1 93 93 GLU CB C 13 30.318 . . . . . . . . 445 E CB . 52861 1 419 . 1 . 1 93 93 GLU N N 15 123.281 . . . . . . . . 445 E N . 52861 1 420 . 1 . 1 94 94 ASP H H 1 8.484 . . . . . . . . 446 D HN . 52861 1 421 . 1 . 1 94 94 ASP C C 13 176.235 . . . . . . . . 446 D CO . 52861 1 422 . 1 . 1 94 94 ASP CA C 13 54.395 . . . . . . . . 446 D CA . 52861 1 423 . 1 . 1 94 94 ASP CB C 13 41.186 . . . . . . . . 446 D CB . 52861 1 424 . 1 . 1 94 94 ASP N N 15 121.395 . . . . . . . . 446 D N . 52861 1 425 . 1 . 1 95 95 SER H H 1 8.345 . . . . . . . . 447 S HN . 52861 1 426 . 1 . 1 95 95 SER C C 13 174.384 . . . . . . . . 447 S CO . 52861 1 427 . 1 . 1 95 95 SER CA C 13 58.221 . . . . . . . . 447 S CA . 52861 1 428 . 1 . 1 95 95 SER CB C 13 63.928 . . . . . . . . 447 S CB . 52861 1 429 . 1 . 1 95 95 SER N N 15 116.675 . . . . . . . . 447 S N . 52861 1 430 . 1 . 1 96 96 THR H H 1 8.485 . . . . . . . . 448 T HN . 52861 1 431 . 1 . 1 96 96 THR C C 13 173.011 . . . . . . . . 448 T CO . 52861 1 432 . 1 . 1 96 96 THR CA C 13 60.008 . . . . . . . . 448 T CA . 52861 1 433 . 1 . 1 96 96 THR CB C 13 69.678 . . . . . . . . 448 T CB . 52861 1 434 . 1 . 1 96 96 THR N N 15 119.043 . . . . . . . . 448 T N . 52861 1 435 . 1 . 1 97 97 PRO C C 13 176.700 . . . . . . . . 449 P CO . 52861 1 436 . 1 . 1 97 97 PRO CA C 13 63.133 . . . . . . . . 449 P CA . 52861 1 437 . 1 . 1 97 97 PRO CB C 13 32.270 . . . . . . . . 449 P CB . 52861 1 438 . 1 . 1 98 98 ASP H H 1 8.590 . . . . . . . . 450 D HN . 52861 1 439 . 1 . 1 98 98 ASP C C 13 176.038 . . . . . . . . 450 D CO . 52861 1 440 . 1 . 1 98 98 ASP CA C 13 54.492 . . . . . . . . 450 D CA . 52861 1 441 . 1 . 1 98 98 ASP CB C 13 41.173 . . . . . . . . 450 D CB . 52861 1 442 . 1 . 1 98 98 ASP N N 15 121.195 . . . . . . . . 450 D N . 52861 1 443 . 1 . 1 99 99 GLU H H 1 8.413 . . . . . . . . 451 E HN . 52861 1 444 . 1 . 1 99 99 GLU C C 13 174.513 . . . . . . . . 451 E CO . 52861 1 445 . 1 . 1 99 99 GLU CA C 13 54.138 . . . . . . . . 451 E CA . 52861 1 446 . 1 . 1 99 99 GLU CB C 13 29.988 . . . . . . . . 451 E CB . 52861 1 447 . 1 . 1 99 99 GLU N N 15 122.402 . . . . . . . . 451 E N . 52861 1 448 . 1 . 1 100 100 PRO C C 13 176.687 . . . . . . . . 452 P CO . 52861 1 449 . 1 . 1 100 100 PRO CA C 13 63.303 . . . . . . . . 452 P CA . 52861 1 450 . 1 . 1 100 100 PRO CB C 13 32.252 . . . . . . . . 452 P CB . 52861 1 451 . 1 . 1 101 101 ASP H H 1 8.615 . . . . . . . . 453 D HN . 52861 1 452 . 1 . 1 101 101 ASP C C 13 176.776 . . . . . . . . 453 D CO . 52861 1 453 . 1 . 1 101 101 ASP CA C 13 54.247 . . . . . . . . 453 D CA . 52861 1 454 . 1 . 1 101 101 ASP CB C 13 41.081 . . . . . . . . 453 D CB . 52861 1 455 . 1 . 1 101 101 ASP N N 15 120.572 . . . . . . . . 453 D N . 52861 1 456 . 1 . 1 102 102 VAL H H 1 8.146 . . . . . . . . 454 V HN . 52861 1 457 . 1 . 1 102 102 VAL C C 13 176.190 . . . . . . . . 454 V CO . 52861 1 458 . 1 . 1 102 102 VAL CA C 13 62.608 . . . . . . . . 454 V CA . 52861 1 459 . 1 . 1 102 102 VAL N N 15 120.723 . . . . . . . . 454 V N . 52861 1 stop_ save_