################################### # 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 51747 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'SPIDER Assignment' _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' . . . 51747 1 2 '3D TROSY HNCACB' . . . 51747 1 3 '3D TROSY HNCACO' . . . 51747 1 4 '3D TROSY HN(CO)CACB' . . . 51747 1 5 '3D TROSY HNCO' . . . 51747 1 6 '3D HNN' . . . 51747 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 . . 51747 1 2 $software_2 . . 51747 1 3 $software_3 . . 51747 1 4 $software_4 . . 51747 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 LEU H H 1 8.308 0.004 . 1 . . . . . 397 L HN . 51747 1 2 . 1 . 1 2 2 LEU C C 13 178.320 0.000 . 1 . . . . . 397 L C . 51747 1 3 . 1 . 1 2 2 LEU CA C 13 55.083 0.000 . 1 . . . . . 397 L CA . 51747 1 4 . 1 . 1 2 2 LEU CB C 13 41.167 0.000 . 1 . . . . . 397 L CB . 51747 1 5 . 1 . 1 2 2 LEU N N 15 121.571 0.002 . 1 . . . . . 397 L N . 51747 1 6 . 1 . 1 3 3 GLY H H 1 8.632 0.002 . 1 . . . . . 398 G HN . 51747 1 7 . 1 . 1 3 3 GLY C C 13 174.438 0.000 . 1 . . . . . 398 G C . 51747 1 8 . 1 . 1 3 3 GLY CA C 13 44.634 0.000 . 1 . . . . . 398 G CA . 51747 1 9 . 1 . 1 3 3 GLY N N 15 109.745 0.005 . 1 . . . . . 398 G N . 51747 1 10 . 1 . 1 4 4 SER H H 1 8.304 0.002 . 1 . . . . . 399 S HN . 51747 1 11 . 1 . 1 4 4 SER CA C 13 58.154 0.000 . 1 . . . . . 399 S CA . 51747 1 12 . 1 . 1 4 4 SER CB C 13 62.997 0.000 . 1 . . . . . 399 S CB . 51747 1 13 . 1 . 1 4 4 SER N N 15 115.780 0.014 . 1 . . . . . 399 S N . 51747 1 14 . 1 . 1 8 8 GLY H H 1 8.500 0.002 . 1 . . . . . 403 G HN . 51747 1 15 . 1 . 1 8 8 GLY C C 13 174.143 0.000 . 1 . . . . . 403 G C . 51747 1 16 . 1 . 1 8 8 GLY CA C 13 44.826 0.000 . 1 . . . . . 403 G CA . 51747 1 17 . 1 . 1 8 8 GLY N N 15 109.526 0.004 . 1 . . . . . 403 G N . 51747 1 18 . 1 . 1 9 9 ARG H H 1 8.403 0.009 . 1 . . . . . 404 R HN . 51747 1 19 . 1 . 1 9 9 ARG C C 13 176.752 0.000 . 1 . . . . . 404 R C . 51747 1 20 . 1 . 1 9 9 ARG CA C 13 55.560 0.000 . 1 . . . . . 404 R CA . 51747 1 21 . 1 . 1 9 9 ARG CB C 13 30.003 0.000 . 1 . . . . . 404 R CB . 51747 1 22 . 1 . 1 9 9 ARG N N 15 120.441 0.039 . 1 . . . . . 404 R N . 51747 1 23 . 1 . 1 10 10 THR H H 1 8.442 0.003 . 1 . . . . . 405 T HN . 51747 1 24 . 1 . 1 10 10 THR C C 13 174.443 0.000 . 1 . . . . . 405 T C . 51747 1 25 . 1 . 1 10 10 THR CA C 13 61.547 0.000 . 1 . . . . . 405 T CA . 51747 1 26 . 1 . 1 10 10 THR CB C 13 69.270 0.000 . 1 . . . . . 405 T CB . 51747 1 27 . 1 . 1 10 10 THR N N 15 115.425 0.026 . 1 . . . . . 405 T N . 51747 1 28 . 1 . 1 11 11 CYS H H 1 8.492 0.002 . 1 . . . . . 406 C HN . 51747 1 29 . 1 . 1 11 11 CYS C C 13 174.512 0.000 . 1 . . . . . 406 C C . 51747 1 30 . 1 . 1 11 11 CYS CA C 13 57.995 0.000 . 1 . . . . . 406 C CA . 51747 1 31 . 1 . 1 11 11 CYS CB C 13 27.830 0.000 . 1 . . . . . 406 C CB . 51747 1 32 . 1 . 1 11 11 CYS N N 15 121.572 0.003 . 1 . . . . . 406 C N . 51747 1 33 . 1 . 1 12 12 SER H H 1 8.514 0.002 . 1 . . . . . 407 S HN . 51747 1 34 . 1 . 1 12 12 SER C C 13 174.153 0.000 . 1 . . . . . 407 S C . 51747 1 35 . 1 . 1 12 12 SER CA C 13 57.913 0.000 . 1 . . . . . 407 S CA . 51747 1 36 . 1 . 1 12 12 SER CB C 13 63.041 0.000 . 1 . . . . . 407 S CB . 51747 1 37 . 1 . 1 12 12 SER N N 15 118.528 0.007 . 1 . . . . . 407 S N . 51747 1 38 . 1 . 1 13 13 PHE H H 1 8.455 0.007 . 1 . . . . . 408 F HN . 51747 1 39 . 1 . 1 13 13 PHE C C 13 176.300 0.000 . 1 . . . . . 408 F C . 51747 1 40 . 1 . 1 13 13 PHE CA C 13 57.429 0.000 . 1 . . . . . 408 F CA . 51747 1 41 . 1 . 1 13 13 PHE CB C 13 38.653 0.000 . 1 . . . . . 408 F CB . 51747 1 42 . 1 . 1 13 13 PHE N N 15 122.384 0.046 . 1 . . . . . 408 F N . 51747 1 43 . 1 . 1 14 14 GLY H H 1 8.483 0.004 . 1 . . . . . 409 G HN . 51747 1 44 . 1 . 1 14 14 GLY C C 13 174.381 0.000 . 1 . . . . . 409 G C . 51747 1 45 . 1 . 1 14 14 GLY CA C 13 44.718 0.000 . 1 . . . . . 409 G CA . 51747 1 46 . 1 . 1 14 14 GLY N N 15 111.281 0.001 . 1 . . . . . 409 G N . 51747 1 47 . 1 . 1 15 15 GLY H H 1 7.882 0.003 . 1 . . . . . 410 G HN . 51747 1 48 . 1 . 1 15 15 GLY C C 13 173.867 0.000 . 1 . . . . . 410 G C . 51747 1 49 . 1 . 1 15 15 GLY CA C 13 44.548 0.000 . 1 . . . . . 410 G CA . 51747 1 50 . 1 . 1 15 15 GLY N N 15 108.029 0.015 . 1 . . . . . 410 G N . 51747 1 51 . 1 . 1 16 16 PHE H H 1 8.182 0.003 . 1 . . . . . 411 F HN . 51747 1 52 . 1 . 1 16 16 PHE C C 13 175.403 0.000 . 1 . . . . . 411 F C . 51747 1 53 . 1 . 1 16 16 PHE CA C 13 57.368 0.000 . 1 . . . . . 411 F CA . 51747 1 54 . 1 . 1 16 16 PHE CB C 13 39.042 0.000 . 1 . . . . . 411 F CB . 51747 1 55 . 1 . 1 16 16 PHE N N 15 119.839 0.088 . 1 . . . . . 411 F N . 51747 1 56 . 1 . 1 17 17 ASP H H 1 8.496 0.003 . 1 . . . . . 412 D HN . 51747 1 57 . 1 . 1 17 17 ASP C C 13 176.449 0.000 . 1 . . . . . 412 D C . 51747 1 58 . 1 . 1 17 17 ASP CA C 13 53.646 0.000 . 1 . . . . . 412 D CA . 51747 1 59 . 1 . 1 17 17 ASP CB C 13 40.372 0.000 . 1 . . . . . 412 D CB . 51747 1 60 . 1 . 1 17 17 ASP N N 15 121.680 0.035 . 1 . . . . . 412 D N . 51747 1 61 . 1 . 1 18 18 LEU H H 1 8.467 0.005 . 1 . . . . . 413 L HN . 51747 1 62 . 1 . 1 18 18 LEU C C 13 178.203 0.000 . 1 . . . . . 413 L C . 51747 1 63 . 1 . 1 18 18 LEU CA C 13 55.345 0.000 . 1 . . . . . 413 L CA . 51747 1 64 . 1 . 1 18 18 LEU CB C 13 40.932 0.000 . 1 . . . . . 413 L CB . 51747 1 65 . 1 . 1 18 18 LEU N N 15 123.234 0.045 . 1 . . . . . 413 L N . 51747 1 66 . 1 . 1 19 19 THR H H 1 8.292 0.003 . 1 . . . . . 414 T HN . 51747 1 67 . 1 . 1 19 19 THR C C 13 174.718 0.000 . 1 . . . . . 414 T C . 51747 1 68 . 1 . 1 19 19 THR CA C 13 62.641 0.000 . 1 . . . . . 414 T CA . 51747 1 69 . 1 . 1 19 19 THR CB C 13 69.072 0.000 . 1 . . . . . 414 T CB . 51747 1 70 . 1 . 1 19 19 THR N N 15 113.388 0.014 . 1 . . . . . 414 T N . 51747 1 71 . 1 . 1 20 20 ASN H H 1 8.354 0.002 . 1 . . . . . 415 N HN . 51747 1 72 . 1 . 1 20 20 ASN C C 13 175.436 0.000 . 1 . . . . . 415 N C . 51747 1 73 . 1 . 1 20 20 ASN CA C 13 53.205 0.000 . 1 . . . . . 415 N CA . 51747 1 74 . 1 . 1 20 20 ASN CB C 13 37.809 0.000 . 1 . . . . . 415 N CB . 51747 1 75 . 1 . 1 20 20 ASN N N 15 120.313 0.023 . 1 . . . . . 415 N N . 51747 1 76 . 1 . 1 21 21 ARG H H 1 8.383 0.003 . 1 . . . . . 416 R HN . 51747 1 77 . 1 . 1 21 21 ARG C C 13 176.675 0.009 . 1 . . . . . 416 R C . 51747 1 78 . 1 . 1 21 21 ARG CA C 13 55.973 0.000 . 1 . . . . . 416 R CA . 51747 1 79 . 1 . 1 21 21 ARG CB C 13 29.478 0.117 . 1 . . . . . 416 R CB . 51747 1 80 . 1 . 1 21 21 ARG N N 15 121.782 0.032 . 1 . . . . . 416 R N . 51747 1 81 . 1 . 1 22 22 SER H H 1 8.387 0.001 . 1 . . . . . 417 S HN . 51747 1 82 . 1 . 1 22 22 SER C C 13 174.525 0.000 . 1 . . . . . 417 S C . 51747 1 83 . 1 . 1 22 22 SER CA C 13 58.324 0.001 . 1 . . . . . 417 S CA . 51747 1 84 . 1 . 1 22 22 SER CB C 13 62.848 0.000 . 1 . . . . . 417 S CB . 51747 1 85 . 1 . 1 22 22 SER N N 15 116.184 0.000 . 1 . . . . . 417 S N . 51747 1 86 . 1 . 1 23 23 LEU H H 1 8.179 0.001 . 1 . . . . . 418 L HN . 51747 1 87 . 1 . 1 23 23 LEU C C 13 177.091 0.001 . 1 . . . . . 418 L C . 51747 1 88 . 1 . 1 23 23 LEU CA C 13 54.750 0.008 . 1 . . . . . 418 L CA . 51747 1 89 . 1 . 1 23 23 LEU CB C 13 41.154 0.000 . 1 . . . . . 418 L CB . 51747 1 90 . 1 . 1 23 23 LEU N N 15 123.108 0.054 . 1 . . . . . 418 L N . 51747 1 91 . 1 . 1 24 24 HIS H H 1 8.386 0.001 . 1 . . . . . 419 H HN . 51747 1 92 . 1 . 1 24 24 HIS C C 13 175.028 0.004 . 1 . . . . . 419 H C . 51747 1 93 . 1 . 1 24 24 HIS CA C 13 55.352 0.002 . 1 . . . . . 419 H CA . 51747 1 94 . 1 . 1 24 24 HIS CB C 13 29.407 0.009 . 1 . . . . . 419 H CB . 51747 1 95 . 1 . 1 24 24 HIS N N 15 119.786 0.091 . 1 . . . . . 419 H N . 51747 1 96 . 1 . 1 25 25 VAL H H 1 8.236 0.001 . 1 . . . . . 420 V HN . 51747 1 97 . 1 . 1 25 25 VAL C C 13 176.629 0.002 . 1 . . . . . 420 V C . 51747 1 98 . 1 . 1 25 25 VAL CA C 13 62.100 0.121 . 1 . . . . . 420 V CA . 51747 1 99 . 1 . 1 25 25 VAL CB C 13 31.672 0.035 . 1 . . . . . 420 V CB . 51747 1 100 . 1 . 1 25 25 VAL N N 15 122.277 0.004 . 1 . . . . . 420 V N . 51747 1 101 . 1 . 1 26 26 GLY H H 1 8.612 0.001 . 1 . . . . . 421 G HN . 51747 1 102 . 1 . 1 26 26 GLY C C 13 174.159 0.008 . 1 . . . . . 421 G C . 51747 1 103 . 1 . 1 26 26 GLY CA C 13 44.706 0.002 . 1 . . . . . 421 G CA . 51747 1 104 . 1 . 1 26 26 GLY N N 15 112.642 0.028 . 1 . . . . . 421 G N . 51747 1 105 . 1 . 1 27 27 SER H H 1 8.406 0.023 . 1 . . . . . 422 S HN . 51747 1 106 . 1 . 1 27 27 SER C C 13 174.451 0.005 . 1 . . . . . 422 S C . 51747 1 107 . 1 . 1 27 27 SER CA C 13 57.858 0.000 . 1 . . . . . 422 S CA . 51747 1 108 . 1 . 1 27 27 SER CB C 13 63.212 0.029 . 1 . . . . . 422 S CB . 51747 1 109 . 1 . 1 27 27 SER N N 15 115.723 0.094 . 1 . . . . . 422 S N . 51747 1 110 . 1 . 1 28 28 ASN H H 1 8.693 0.002 . 1 . . . . . 423 N HN . 51747 1 111 . 1 . 1 28 28 ASN C C 13 174.979 0.000 . 1 . . . . . 423 N C . 51747 1 112 . 1 . 1 28 28 ASN CA C 13 52.877 0.000 . 1 . . . . . 423 N CA . 51747 1 113 . 1 . 1 28 28 ASN CB C 13 38.113 0.000 . 1 . . . . . 423 N CB . 51747 1 114 . 1 . 1 28 28 ASN N N 15 120.482 0.021 . 1 . . . . . 423 N N . 51747 1 115 . 1 . 1 29 29 ASN H H 1 8.527 0.002 . 1 . . . . . 424 N HN . 51747 1 116 . 1 . 1 29 29 ASN C C 13 175.070 0.000 . 1 . . . . . 424 N C . 51747 1 117 . 1 . 1 29 29 ASN CA C 13 53.122 0.000 . 1 . . . . . 424 N CA . 51747 1 118 . 1 . 1 29 29 ASN CB C 13 38.313 0.000 . 1 . . . . . 424 N CB . 51747 1 119 . 1 . 1 29 29 ASN N N 15 119.320 0.017 . 1 . . . . . 424 N N . 51747 1 120 . 1 . 1 30 30 SER H H 1 8.363 0.004 . 1 . . . . . 425 S HN . 51747 1 121 . 1 . 1 30 30 SER C C 13 173.923 0.000 . 1 . . . . . 425 S C . 51747 1 122 . 1 . 1 30 30 SER CA C 13 57.861 0.000 . 1 . . . . . 425 S CA . 51747 1 123 . 1 . 1 30 30 SER CB C 13 62.989 0.000 . 1 . . . . . 425 S CB . 51747 1 124 . 1 . 1 30 30 SER N N 15 115.946 0.024 . 1 . . . . . 425 S N . 51747 1 125 . 1 . 1 31 31 ASP H H 1 8.422 0.004 . 1 . . . . . 426 D HN . 51747 1 126 . 1 . 1 31 31 ASP C C 13 176.140 0.000 . 1 . . . . . 426 D C . 51747 1 127 . 1 . 1 31 31 ASP CA C 13 51.978 0.000 . 1 . . . . . 426 D CA . 51747 1 128 . 1 . 1 31 31 ASP CB C 13 40.424 0.000 . 1 . . . . . 426 D CB . 51747 1 129 . 1 . 1 31 31 ASP N N 15 123.361 0.019 . 1 . . . . . 426 D N . 51747 1 130 . 1 . 1 33 33 MET H H 1 8.580 0.005 . 1 . . . . . 428 M HN . 51747 1 131 . 1 . 1 33 33 MET C C 13 177.075 0.000 . 1 . . . . . 428 M C . 51747 1 132 . 1 . 1 33 33 MET CA C 13 54.996 0.000 . 1 . . . . . 428 M CA . 51747 1 133 . 1 . 1 33 33 MET CB C 13 32.071 0.000 . 1 . . . . . 428 M CB . 51747 1 134 . 1 . 1 33 33 MET N N 15 118.906 0.010 . 1 . . . . . 428 M N . 51747 1 135 . 1 . 1 34 34 GLY H H 1 8.307 0.006 . 1 . . . . . 429 G HN . 51747 1 136 . 1 . 1 34 34 GLY C C 13 174.140 0.000 . 1 . . . . . 429 G C . 51747 1 137 . 1 . 1 34 34 GLY CA C 13 45.057 0.000 . 1 . . . . . 429 G CA . 51747 1 138 . 1 . 1 34 34 GLY N N 15 109.604 0.006 . 1 . . . . . 429 G N . 51747 1 139 . 1 . 1 35 35 LYS H H 1 8.383 0.003 . 1 . . . . . 430 K HN . 51747 1 140 . 1 . 1 35 35 LYS C C 13 176.914 0.000 . 1 . . . . . 430 K C . 51747 1 141 . 1 . 1 35 35 LYS CA C 13 55.643 0.000 . 1 . . . . . 430 K CA . 51747 1 142 . 1 . 1 35 35 LYS CB C 13 32.111 0.000 . 1 . . . . . 430 K CB . 51747 1 143 . 1 . 1 35 35 LYS N N 15 120.988 0.021 . 1 . . . . . 430 K N . 51747 1 144 . 1 . 1 36 36 GLU H H 1 8.735 0.003 . 1 . . . . . 431 E HN . 51747 1 145 . 1 . 1 36 36 GLU C C 13 177.190 0.000 . 1 . . . . . 431 E C . 51747 1 146 . 1 . 1 36 36 GLU CA C 13 56.647 0.000 . 1 . . . . . 431 E CA . 51747 1 147 . 1 . 1 36 36 GLU CB C 13 29.051 0.000 . 1 . . . . . 431 E CB . 51747 1 148 . 1 . 1 36 36 GLU N N 15 122.012 0.003 . 1 . . . . . 431 E N . 51747 1 149 . 1 . 1 37 37 GLY H H 1 8.496 0.002 . 1 . . . . . 432 G HN . 51747 1 150 . 1 . 1 37 37 GLY C C 13 173.833 0.000 . 1 . . . . . 432 G C . 51747 1 151 . 1 . 1 37 37 GLY CA C 13 44.733 0.000 . 1 . . . . . 432 G CA . 51747 1 152 . 1 . 1 37 37 GLY N N 15 109.884 0.006 . 1 . . . . . 432 G N . 51747 1 153 . 1 . 1 38 38 ASP H H 1 8.191 0.004 . 1 . . . . . 433 D HN . 51747 1 154 . 1 . 1 38 38 ASP C C 13 176.021 0.000 . 1 . . . . . 433 D C . 51747 1 155 . 1 . 1 38 38 ASP CA C 13 53.911 0.000 . 1 . . . . . 433 D CA . 51747 1 156 . 1 . 1 38 38 ASP CB C 13 40.352 0.000 . 1 . . . . . 433 D CB . 51747 1 157 . 1 . 1 38 38 ASP N N 15 120.272 0.010 . 1 . . . . . 433 D N . 51747 1 158 . 1 . 1 39 39 PHE H H 1 8.242 0.002 . 1 . . . . . 434 F HN . 51747 1 159 . 1 . 1 39 39 PHE C C 13 175.380 0.000 . 1 . . . . . 434 F C . 51747 1 160 . 1 . 1 39 39 PHE CA C 13 57.468 0.000 . 1 . . . . . 434 F CA . 51747 1 161 . 1 . 1 39 39 PHE CB C 13 38.865 0.000 . 1 . . . . . 434 F CB . 51747 1 162 . 1 . 1 39 39 PHE N N 15 120.505 0.009 . 1 . . . . . 434 F N . 51747 1 163 . 1 . 1 40 40 VAL H H 1 7.962 0.003 . 1 . . . . . 435 V HN . 51747 1 164 . 1 . 1 40 40 VAL C C 13 175.363 0.000 . 1 . . . . . 435 V C . 51747 1 165 . 1 . 1 40 40 VAL CA C 13 61.558 0.000 . 1 . . . . . 435 V CA . 51747 1 166 . 1 . 1 40 40 VAL CB C 13 31.980 0.000 . 1 . . . . . 435 V CB . 51747 1 167 . 1 . 1 40 40 VAL N N 15 123.112 0.039 . 1 . . . . . 435 V N . 51747 1 168 . 1 . 1 41 41 TYR H H 1 8.414 0.002 . 1 . . . . . 436 Y HN . 51747 1 169 . 1 . 1 41 41 TYR C C 13 175.368 0.000 . 1 . . . . . 436 Y C . 51747 1 170 . 1 . 1 41 41 TYR CA C 13 57.846 0.000 . 1 . . . . . 436 Y CA . 51747 1 171 . 1 . 1 41 41 TYR CB C 13 37.883 0.000 . 1 . . . . . 436 Y CB . 51747 1 172 . 1 . 1 41 41 TYR N N 15 125.131 0.019 . 1 . . . . . 436 Y N . 51747 1 173 . 1 . 1 42 42 LYS H H 1 8.085 0.001 . 1 . . . . . 437 K HN . 51747 1 174 . 1 . 1 42 42 LYS C C 13 175.414 0.000 . 1 . . . . . 437 K C . 51747 1 175 . 1 . 1 42 42 LYS CA C 13 55.185 0.000 . 1 . . . . . 437 K CA . 51747 1 176 . 1 . 1 42 42 LYS CB C 13 32.579 0.000 . 1 . . . . . 437 K CB . 51747 1 177 . 1 . 1 42 42 LYS N N 15 124.787 0.019 . 1 . . . . . 437 K N . 51747 1 178 . 1 . 1 43 43 GLU H H 1 8.384 0.001 . 1 . . . . . 438 E HN . 51747 1 179 . 1 . 1 43 43 GLU C C 13 176.254 0.000 . 1 . . . . . 438 E C . 51747 1 180 . 1 . 1 43 43 GLU CA C 13 55.891 0.000 . 1 . . . . . 438 E CA . 51747 1 181 . 1 . 1 43 43 GLU CB C 13 29.439 0.000 . 1 . . . . . 438 E CB . 51747 1 182 . 1 . 1 43 43 GLU N N 15 123.030 0.000 . 1 . . . . . 438 E N . 51747 1 183 . 1 . 1 44 44 VAL H H 1 8.427 0.004 . 1 . . . . . 439 V HN . 51747 1 184 . 1 . 1 44 44 VAL C C 13 176.152 0.000 . 1 . . . . . 439 V C . 51747 1 185 . 1 . 1 44 44 VAL CA C 13 61.856 0.000 . 1 . . . . . 439 V CA . 51747 1 186 . 1 . 1 44 44 VAL CB C 13 31.831 0.000 . 1 . . . . . 439 V CB . 51747 1 187 . 1 . 1 44 44 VAL N N 15 123.615 0.026 . 1 . . . . . 439 V N . 51747 1 188 . 1 . 1 45 45 ILE H H 1 8.450 0.003 . 1 . . . . . 440 I HN . 51747 1 189 . 1 . 1 45 45 ILE C C 13 176.188 0.000 . 1 . . . . . 440 I C . 51747 1 190 . 1 . 1 45 45 ILE CA C 13 60.343 0.000 . 1 . . . . . 440 I CA . 51747 1 191 . 1 . 1 45 45 ILE CB C 13 37.136 0.000 . 1 . . . . . 440 I CB . 51747 1 192 . 1 . 1 45 45 ILE N N 15 126.411 0.035 . 1 . . . . . 440 I N . 51747 1 193 . 1 . 1 46 46 LYS H H 1 8.620 0.006 . 1 . . . . . 441 K HN . 51747 1 194 . 1 . 1 46 46 LYS C C 13 176.277 0.000 . 1 . . . . . 441 K C . 51747 1 195 . 1 . 1 46 46 LYS CA C 13 55.508 0.000 . 1 . . . . . 441 K CA . 51747 1 196 . 1 . 1 46 46 LYS CB C 13 32.070 0.000 . 1 . . . . . 441 K CB . 51747 1 197 . 1 . 1 46 46 LYS N N 15 127.046 0.007 . 1 . . . . . 441 K N . 51747 1 198 . 1 . 1 47 47 SER H H 1 8.553 0.003 . 1 . . . . . 442 S HN . 51747 1 199 . 1 . 1 47 47 SER C C 13 173.067 0.000 . 1 . . . . . 442 S C . 51747 1 200 . 1 . 1 47 47 SER CA C 13 56.007 0.000 . 1 . . . . . 442 S CA . 51747 1 201 . 1 . 1 47 47 SER CB C 13 62.349 0.000 . 1 . . . . . 442 S CB . 51747 1 202 . 1 . 1 47 47 SER N N 15 119.218 0.006 . 1 . . . . . 442 S N . 51747 1 203 . 1 . 1 48 48 PRO C C 13 177.347 0.000 . 1 . . . . . 443 P C . 51747 1 204 . 1 . 1 48 48 PRO CA C 13 62.921 0.000 . 1 . . . . . 443 P CA . 51747 1 205 . 1 . 1 48 48 PRO CB C 13 31.325 0.000 . 1 . . . . . 443 P CB . 51747 1 206 . 1 . 1 49 49 THR H H 1 8.310 0.002 . 1 . . . . . 444 T HN . 51747 1 207 . 1 . 1 49 49 THR C C 13 174.599 0.007 . 1 . . . . . 444 T C . 51747 1 208 . 1 . 1 49 49 THR CA C 13 61.745 0.081 . 1 . . . . . 444 T CA . 51747 1 209 . 1 . 1 49 49 THR CB C 13 69.099 0.047 . 1 . . . . . 444 T CB . 51747 1 210 . 1 . 1 49 49 THR N N 15 114.516 0.013 . 1 . . . . . 444 T N . 51747 1 211 . 1 . 1 50 50 ALA H H 1 8.386 0.002 . 1 . . . . . 445 A HN . 51747 1 212 . 1 . 1 50 50 ALA C C 13 177.977 0.029 . 1 . . . . . 445 A C . 51747 1 213 . 1 . 1 50 50 ALA CA C 13 52.264 0.025 . 1 . . . . . 445 A CA . 51747 1 214 . 1 . 1 50 50 ALA CB C 13 18.447 0.089 . 1 . . . . . 445 A CB . 51747 1 215 . 1 . 1 50 50 ALA N N 15 126.503 0.012 . 1 . . . . . 445 A N . 51747 1 216 . 1 . 1 51 51 SER H H 1 8.436 0.003 . 1 . . . . . 446 S HN . 51747 1 217 . 1 . 1 51 51 SER C C 13 174.700 0.004 . 1 . . . . . 446 S C . 51747 1 218 . 1 . 1 51 51 SER CA C 13 57.976 0.023 . 1 . . . . . 446 S CA . 51747 1 219 . 1 . 1 51 51 SER CB C 13 63.169 0.020 . 1 . . . . . 446 S CB . 51747 1 220 . 1 . 1 51 51 SER N N 15 115.407 0.007 . 1 . . . . . 446 S N . 51747 1 221 . 1 . 1 52 52 ARG H H 1 8.479 0.001 . 1 . . . . . 447 R HN . 51747 1 222 . 1 . 1 52 52 ARG C C 13 176.551 0.007 . 1 . . . . . 447 R C . 51747 1 223 . 1 . 1 52 52 ARG CA C 13 55.952 0.002 . 1 . . . . . 447 R CA . 51747 1 224 . 1 . 1 52 52 ARG CB C 13 29.708 0.007 . 1 . . . . . 447 R CB . 51747 1 225 . 1 . 1 52 52 ARG N N 15 123.350 0.000 . 1 . . . . . 447 R N . 51747 1 226 . 1 . 1 53 53 ILE H H 1 8.268 0.002 . 1 . . . . . 448 I HN . 51747 1 227 . 1 . 1 53 53 ILE C C 13 176.550 0.001 . 1 . . . . . 448 I C . 51747 1 228 . 1 . 1 53 53 ILE CA C 13 60.954 0.000 . 1 . . . . . 448 I CA . 51747 1 229 . 1 . 1 53 53 ILE CB C 13 37.522 0.010 . 1 . . . . . 448 I CB . 51747 1 230 . 1 . 1 53 53 ILE N N 15 122.118 0.020 . 1 . . . . . 448 I N . 51747 1 231 . 1 . 1 54 54 SER H H 1 8.516 0.001 . 1 . . . . . 449 S HN . 51747 1 232 . 1 . 1 54 54 SER C C 13 174.736 0.010 . 1 . . . . . 449 S C . 51747 1 233 . 1 . 1 54 54 SER CA C 13 60.975 0.000 . 1 . . . . . 449 S CA . 51747 1 234 . 1 . 1 54 54 SER CB C 13 62.860 0.011 . 1 . . . . . 449 S CB . 51747 1 235 . 1 . 1 54 54 SER N N 15 120.161 0.014 . 1 . . . . . 449 S N . 51747 1 236 . 1 . 1 55 55 LEU H H 1 8.505 0.000 . 1 . . . . . 450 L HN . 51747 1 237 . 1 . 1 55 55 LEU C C 13 178.137 0.008 . 1 . . . . . 450 L C . 51747 1 238 . 1 . 1 55 55 LEU CA C 13 55.085 0.051 . 1 . . . . . 450 L CA . 51747 1 239 . 1 . 1 55 55 LEU CB C 13 41.171 0.001 . 1 . . . . . 450 L CB . 51747 1 240 . 1 . 1 55 55 LEU N N 15 124.887 0.035 . 1 . . . . . 450 L N . 51747 1 241 . 1 . 1 56 56 GLY H H 1 8.438 0.001 . 1 . . . . . 451 G HN . 51747 1 242 . 1 . 1 56 56 GLY C C 13 174.057 0.006 . 1 . . . . . 451 G C . 51747 1 243 . 1 . 1 56 56 GLY CA C 13 44.750 0.018 . 1 . . . . . 451 G CA . 51747 1 244 . 1 . 1 56 56 GLY N N 15 109.084 0.037 . 1 . . . . . 451 G N . 51747 1 245 . 1 . 1 57 57 LYS H H 1 8.226 0.002 . 1 . . . . . 452 K HN . 51747 1 246 . 1 . 1 57 57 LYS C C 13 176.713 0.000 . 1 . . . . . 452 K C . 51747 1 247 . 1 . 1 57 57 LYS CA C 13 55.655 0.005 . 1 . . . . . 452 K CA . 51747 1 248 . 1 . 1 57 57 LYS CB C 13 32.061 0.001 . 1 . . . . . 452 K CB . 51747 1 249 . 1 . 1 57 57 LYS N N 15 121.018 0.004 . 1 . . . . . 452 K N . 51747 1 250 . 1 . 1 58 58 LYS H H 1 8.488 0.000 . 1 . . . . . 453 K HN . 51747 1 251 . 1 . 1 58 58 LYS C C 13 176.641 0.004 . 1 . . . . . 453 K C . 51747 1 252 . 1 . 1 58 58 LYS CA C 13 55.922 0.003 . 1 . . . . . 453 K CA . 51747 1 253 . 1 . 1 58 58 LYS CB C 13 32.010 0.065 . 1 . . . . . 453 K CB . 51747 1 254 . 1 . 1 58 58 LYS N N 15 123.340 0.000 . 1 . . . . . 453 K N . 51747 1 255 . 1 . 1 59 59 VAL H H 1 8.354 0.001 . 1 . . . . . 454 V HN . 51747 1 256 . 1 . 1 59 59 VAL C C 13 176.192 0.028 . 1 . . . . . 454 V C . 51747 1 257 . 1 . 1 59 59 VAL CA C 13 61.598 0.029 . 1 . . . . . 454 V CA . 51747 1 258 . 1 . 1 59 59 VAL CB C 13 31.892 0.024 . 1 . . . . . 454 V CB . 51747 1 259 . 1 . 1 59 59 VAL N N 15 122.680 0.001 . 1 . . . . . 454 V N . 51747 1 260 . 1 . 1 60 60 LYS H H 1 8.570 0.003 . 1 . . . . . 455 K HN . 51747 1 261 . 1 . 1 60 60 LYS C C 13 176.620 0.002 . 1 . . . . . 455 K C . 51747 1 262 . 1 . 1 60 60 LYS CA C 13 55.723 0.086 . 1 . . . . . 455 K CA . 51747 1 263 . 1 . 1 60 60 LYS CB C 13 32.169 0.005 . 1 . . . . . 455 K CB . 51747 1 264 . 1 . 1 60 60 LYS N N 15 126.109 0.076 . 1 . . . . . 455 K N . 51747 1 265 . 1 . 1 61 61 SER H H 1 8.578 0.000 . 1 . . . . . 456 S HN . 51747 1 266 . 1 . 1 61 61 SER C C 13 174.784 0.001 . 1 . . . . . 456 S C . 51747 1 267 . 1 . 1 61 61 SER CA C 13 57.950 0.236 . 1 . . . . . 456 S CA . 51747 1 268 . 1 . 1 61 61 SER CB C 13 63.166 0.000 . 1 . . . . . 456 S CB . 51747 1 269 . 1 . 1 61 61 SER N N 15 118.310 0.001 . 1 . . . . . 456 S N . 51747 1 270 . 1 . 1 62 62 VAL H H 1 8.478 0.002 . 1 . . . . . 457 V HN . 51747 1 271 . 1 . 1 62 62 VAL C C 13 176.647 0.002 . 1 . . . . . 457 V C . 51747 1 272 . 1 . 1 62 62 VAL CA C 13 62.500 0.018 . 1 . . . . . 457 V CA . 51747 1 273 . 1 . 1 62 62 VAL CB C 13 31.922 0.013 . 1 . . . . . 457 V CB . 51747 1 274 . 1 . 1 62 62 VAL N N 15 123.102 0.019 . 1 . . . . . 457 V N . 51747 1 275 . 1 . 1 63 63 LYS H H 1 8.463 0.001 . 1 . . . . . 458 K HN . 51747 1 276 . 1 . 1 63 63 LYS C C 13 177.188 0.023 . 1 . . . . . 458 K C . 51747 1 277 . 1 . 1 63 63 LYS CA C 13 56.613 0.038 . 1 . . . . . 458 K CA . 51747 1 278 . 1 . 1 63 63 LYS CB C 13 31.823 0.031 . 1 . . . . . 458 K CB . 51747 1 279 . 1 . 1 63 63 LYS N N 15 124.270 0.000 . 1 . . . . . 458 K N . 51747 1 280 . 1 . 1 64 64 GLU H H 1 8.499 0.002 . 1 . . . . . 459 E HN . 51747 1 281 . 1 . 1 64 64 GLU C C 13 177.151 0.005 . 1 . . . . . 459 E C . 51747 1 282 . 1 . 1 64 64 GLU CA C 13 56.602 0.011 . 1 . . . . . 459 E CA . 51747 1 283 . 1 . 1 64 64 GLU CB C 13 29.327 0.027 . 1 . . . . . 459 E CB . 51747 1 284 . 1 . 1 64 64 GLU N N 15 122.282 0.037 . 1 . . . . . 459 E N . 51747 1 285 . 1 . 1 65 65 THR H H 1 8.334 0.001 . 1 . . . . . 460 T HN . 51747 1 286 . 1 . 1 65 65 THR C C 13 175.013 0.010 . 1 . . . . . 460 T C . 51747 1 287 . 1 . 1 65 65 THR CA C 13 62.511 0.004 . 1 . . . . . 460 T CA . 51747 1 288 . 1 . 1 65 65 THR CB C 13 68.991 0.031 . 1 . . . . . 460 T CB . 51747 1 289 . 1 . 1 65 65 THR N N 15 116.007 0.032 . 1 . . . . . 460 T N . 51747 1 290 . 1 . 1 66 66 MET H H 1 8.444 0.002 . 1 . . . . . 461 M HN . 51747 1 291 . 1 . 1 66 66 MET C C 13 176.562 0.000 . 1 . . . . . 461 M C . 51747 1 292 . 1 . 1 66 66 MET CA C 13 55.653 0.000 . 1 . . . . . 461 M CA . 51747 1 293 . 1 . 1 66 66 MET CB C 13 31.617 0.000 . 1 . . . . . 461 M CB . 51747 1 294 . 1 . 1 66 66 MET N N 15 122.537 0.006 . 1 . . . . . 461 M N . 51747 1 295 . 1 . 1 67 67 ARG H H 1 8.358 0.006 . 1 . . . . . 462 R HN . 51747 1 296 . 1 . 1 67 67 ARG C C 13 176.861 0.000 . 1 . . . . . 462 R C . 51747 1 297 . 1 . 1 67 67 ARG CA C 13 56.105 0.000 . 1 . . . . . 462 R CA . 51747 1 298 . 1 . 1 67 67 ARG CB C 13 29.667 0.000 . 1 . . . . . 462 R CB . 51747 1 299 . 1 . 1 67 67 ARG N N 15 122.448 0.037 . 1 . . . . . 462 R N . 51747 1 300 . 1 . 1 68 68 LYS H H 1 8.397 0.003 . 1 . . . . . 463 K HN . 51747 1 301 . 1 . 1 68 68 LYS C C 13 176.234 0.000 . 1 . . . . . 463 K C . 51747 1 302 . 1 . 1 68 68 LYS CA C 13 56.294 0.000 . 1 . . . . . 463 K CA . 51747 1 303 . 1 . 1 68 68 LYS CB C 13 31.886 0.000 . 1 . . . . . 463 K CB . 51747 1 304 . 1 . 1 68 68 LYS N N 15 122.469 0.000 . 1 . . . . . 463 K N . 51747 1 305 . 1 . 1 69 69 ARG H H 1 8.643 0.000 . 1 . . . . . 464 R HN . 51747 1 306 . 1 . 1 69 69 ARG C C 13 174.925 0.000 . 1 . . . . . 464 R C . 51747 1 307 . 1 . 1 69 69 ARG CA C 13 55.951 0.000 . 1 . . . . . 464 R CA . 51747 1 308 . 1 . 1 69 69 ARG CB C 13 29.697 0.000 . 1 . . . . . 464 R CB . 51747 1 309 . 1 . 1 69 69 ARG N N 15 122.240 0.000 . 1 . . . . . 464 R N . 51747 1 310 . 1 . 1 70 70 MET H H 1 8.536 0.001 . 1 . . . . . 465 M HN . 51747 1 311 . 1 . 1 70 70 MET C C 13 176.434 0.001 . 1 . . . . . 465 M C . 51747 1 312 . 1 . 1 70 70 MET CA C 13 55.036 0.003 . 1 . . . . . 465 M CA . 51747 1 313 . 1 . 1 70 70 MET CB C 13 31.899 0.017 . 1 . . . . . 465 M CB . 51747 1 314 . 1 . 1 70 70 MET N N 15 121.420 0.000 . 1 . . . . . 465 M N . 51747 1 315 . 1 . 1 71 71 SER H H 1 8.387 0.002 . 1 . . . . . 466 S HN . 51747 1 316 . 1 . 1 71 71 SER C C 13 174.630 0.039 . 1 . . . . . 466 S C . 51747 1 317 . 1 . 1 71 71 SER CA C 13 58.121 0.009 . 1 . . . . . 466 S CA . 51747 1 318 . 1 . 1 71 71 SER CB C 13 63.145 0.009 . 1 . . . . . 466 S CB . 51747 1 319 . 1 . 1 71 71 SER N N 15 117.175 0.000 . 1 . . . . . 466 S N . 51747 1 320 . 1 . 1 72 72 LYS H H 1 8.475 0.001 . 1 . . . . . 467 K HN . 51747 1 321 . 1 . 1 72 72 LYS C C 13 176.559 0.002 . 1 . . . . . 467 K C . 51747 1 322 . 1 . 1 72 72 LYS CA C 13 55.806 0.008 . 1 . . . . . 467 K CA . 51747 1 323 . 1 . 1 72 72 LYS CB C 13 31.912 0.002 . 1 . . . . . 467 K CB . 51747 1 324 . 1 . 1 72 72 LYS N N 15 123.601 0.002 . 1 . . . . . 467 K N . 51747 1 325 . 1 . 1 73 73 LYS H H 1 8.345 0.001 . 1 . . . . . 468 K HN . 51747 1 326 . 1 . 1 73 73 LYS C C 13 176.340 0.001 . 1 . . . . . 468 K C . 51747 1 327 . 1 . 1 73 73 LYS CA C 13 56.066 0.007 . 1 . . . . . 468 K CA . 51747 1 328 . 1 . 1 73 73 LYS CB C 13 31.896 0.038 . 1 . . . . . 468 K CB . 51747 1 329 . 1 . 1 73 73 LYS N N 15 122.231 0.002 . 1 . . . . . 468 K N . 51747 1 330 . 1 . 1 74 74 TYR H H 1 8.336 0.001 . 1 . . . . . 469 Y HN . 51747 1 331 . 1 . 1 74 74 TYR C C 13 175.896 0.007 . 1 . . . . . 469 Y C . 51747 1 332 . 1 . 1 74 74 TYR CA C 13 57.559 0.018 . 1 . . . . . 469 Y CA . 51747 1 333 . 1 . 1 74 74 TYR CB C 13 38.155 0.002 . 1 . . . . . 469 Y CB . 51747 1 334 . 1 . 1 74 74 TYR N N 15 121.066 0.000 . 1 . . . . . 469 Y N . 51747 1 335 . 1 . 1 75 75 SER H H 1 8.277 0.000 . 1 . . . . . 470 S HN . 51747 1 336 . 1 . 1 75 75 SER C C 13 174.342 0.001 . 1 . . . . . 470 S C . 51747 1 337 . 1 . 1 75 75 SER CA C 13 57.694 0.004 . 1 . . . . . 470 S CA . 51747 1 338 . 1 . 1 75 75 SER CB C 13 63.158 0.003 . 1 . . . . . 470 S CB . 51747 1 339 . 1 . 1 75 75 SER N N 15 117.613 0.000 . 1 . . . . . 470 S N . 51747 1 340 . 1 . 1 76 76 SER H H 1 8.499 0.000 . 1 . . . . . 471 S HN . 51747 1 341 . 1 . 1 76 76 SER C C 13 174.588 0.001 . 1 . . . . . 471 S C . 51747 1 342 . 1 . 1 76 76 SER CA C 13 58.016 0.001 . 1 . . . . . 471 S CA . 51747 1 343 . 1 . 1 76 76 SER CB C 13 63.090 0.003 . 1 . . . . . 471 S CB . 51747 1 344 . 1 . 1 76 76 SER N N 15 118.004 0.011 . 1 . . . . . 471 S N . 51747 1 345 . 1 . 1 77 77 SER H H 1 8.443 0.001 . 1 . . . . . 472 S HN . 51747 1 346 . 1 . 1 77 77 SER C C 13 174.682 0.000 . 1 . . . . . 472 S C . 51747 1 347 . 1 . 1 77 77 SER CA C 13 58.114 0.003 . 1 . . . . . 472 S CA . 51747 1 348 . 1 . 1 77 77 SER CB C 13 63.141 0.002 . 1 . . . . . 472 S CB . 51747 1 349 . 1 . 1 77 77 SER N N 15 117.783 0.032 . 1 . . . . . 472 S N . 51747 1 350 . 1 . 1 78 78 VAL H H 1 8.245 0.000 . 1 . . . . . 473 V HN . 51747 1 351 . 1 . 1 78 78 VAL C C 13 176.437 0.002 . 1 . . . . . 473 V C . 51747 1 352 . 1 . 1 78 78 VAL CA C 13 61.952 0.002 . 1 . . . . . 473 V CA . 51747 1 353 . 1 . 1 78 78 VAL CB C 13 31.718 0.007 . 1 . . . . . 473 V CB . 51747 1 354 . 1 . 1 78 78 VAL N N 15 121.630 0.000 . 1 . . . . . 473 V N . 51747 1 355 . 1 . 1 79 79 SER H H 1 8.476 0.000 . 1 . . . . . 474 S HN . 51747 1 356 . 1 . 1 79 79 SER C C 13 174.821 0.002 . 1 . . . . . 474 S C . 51747 1 357 . 1 . 1 79 79 SER CA C 13 57.903 0.002 . 1 . . . . . 474 S CA . 51747 1 358 . 1 . 1 79 79 SER CB C 13 63.114 0.003 . 1 . . . . . 474 S CB . 51747 1 359 . 1 . 1 79 79 SER N N 15 118.976 0.016 . 1 . . . . . 474 S N . 51747 1 360 . 1 . 1 80 80 GLU H H 1 8.568 0.001 . 1 . . . . . 475 E HN . 51747 1 361 . 1 . 1 80 80 GLU C C 13 176.770 0.006 . 1 . . . . . 475 E C . 51747 1 362 . 1 . 1 80 80 GLU CA C 13 56.545 0.000 . 1 . . . . . 475 E CA . 51747 1 363 . 1 . 1 80 80 GLU CB C 13 29.099 0.001 . 1 . . . . . 475 E CB . 51747 1 364 . 1 . 1 80 80 GLU N N 15 122.999 0.004 . 1 . . . . . 475 E N . 51747 1 365 . 1 . 1 81 81 GLN H H 1 8.425 0.001 . 1 . . . . . 476 Q HN . 51747 1 366 . 1 . 1 81 81 GLN C C 13 175.905 0.005 . 1 . . . . . 476 Q C . 51747 1 367 . 1 . 1 81 81 GLN CA C 13 55.641 0.004 . 1 . . . . . 476 Q CA . 51747 1 368 . 1 . 1 81 81 GLN CB C 13 28.496 0.009 . 1 . . . . . 476 Q CB . 51747 1 369 . 1 . 1 81 81 GLN N N 15 120.282 0.063 . 1 . . . . . 476 Q N . 51747 1 370 . 1 . 1 82 82 ASP H H 1 8.446 0.001 . 1 . . . . . 477 D HN . 51747 1 371 . 1 . 1 82 82 ASP C C 13 176.563 0.000 . 1 . . . . . 477 D C . 51747 1 372 . 1 . 1 82 82 ASP CA C 13 54.106 0.004 . 1 . . . . . 477 D CA . 51747 1 373 . 1 . 1 82 82 ASP CB C 13 40.672 0.004 . 1 . . . . . 477 D CB . 51747 1 374 . 1 . 1 82 82 ASP N N 15 121.614 0.002 . 1 . . . . . 477 D N . 51747 1 375 . 1 . 1 83 83 SER H H 1 8.456 0.001 . 1 . . . . . 478 S HN . 51747 1 376 . 1 . 1 83 83 SER C C 13 175.358 0.002 . 1 . . . . . 478 S C . 51747 1 377 . 1 . 1 83 83 SER CA C 13 58.475 0.007 . 1 . . . . . 478 S CA . 51747 1 378 . 1 . 1 83 83 SER CB C 13 63.156 0.000 . 1 . . . . . 478 S CB . 51747 1 379 . 1 . 1 83 83 SER N N 15 117.109 0.003 . 1 . . . . . 478 S N . 51747 1 380 . 1 . 1 84 84 GLY H H 1 8.580 0.001 . 1 . . . . . 479 G HN . 51747 1 381 . 1 . 1 84 84 GLY C C 13 174.575 0.007 . 1 . . . . . 479 G C . 51747 1 382 . 1 . 1 84 84 GLY CA C 13 44.915 0.013 . 1 . . . . . 479 G CA . 51747 1 383 . 1 . 1 84 84 GLY N N 15 110.628 0.004 . 1 . . . . . 479 G N . 51747 1 384 . 1 . 1 85 85 LEU H H 1 8.182 0.001 . 1 . . . . . 480 L HN . 51747 1 385 . 1 . 1 85 85 LEU C C 13 177.627 0.003 . 1 . . . . . 480 L C . 51747 1 386 . 1 . 1 85 85 LEU CA C 13 54.735 0.009 . 1 . . . . . 480 L CA . 51747 1 387 . 1 . 1 85 85 LEU CB C 13 41.243 0.031 . 1 . . . . . 480 L CB . 51747 1 388 . 1 . 1 85 85 LEU N N 15 121.290 0.000 . 1 . . . . . 480 L N . 51747 1 389 . 1 . 1 86 86 ASP H H 1 8.449 0.000 . 1 . . . . . 481 D HN . 51747 1 390 . 1 . 1 86 86 ASP C C 13 176.668 0.006 . 1 . . . . . 481 D C . 51747 1 391 . 1 . 1 86 86 ASP CA C 13 54.191 0.000 . 1 . . . . . 481 D CA . 51747 1 392 . 1 . 1 86 86 ASP CB C 13 40.352 0.015 . 1 . . . . . 481 D CB . 51747 1 393 . 1 . 1 86 86 ASP N N 15 120.197 0.005 . 1 . . . . . 481 D N . 51747 1 394 . 1 . 1 87 87 GLY H H 1 8.320 0.001 . 1 . . . . . 482 G HN . 51747 1 395 . 1 . 1 87 87 GLY C C 13 174.042 0.008 . 1 . . . . . 482 G C . 51747 1 396 . 1 . 1 87 87 GLY CA C 13 44.736 0.010 . 1 . . . . . 482 G CA . 51747 1 397 . 1 . 1 87 87 GLY N N 15 108.582 0.000 . 1 . . . . . 482 G N . 51747 1 398 . 1 . 1 88 88 MET H H 1 8.227 0.004 . 1 . . . . . 483 M HN . 51747 1 399 . 1 . 1 88 88 MET CA C 13 55.673 0.000 . 1 . . . . . 483 M CA . 51747 1 400 . 1 . 1 88 88 MET CB C 13 32.126 0.000 . 1 . . . . . 483 M CB . 51747 1 401 . 1 . 1 88 88 MET N N 15 121.181 0.155 . 1 . . . . . 483 M N . 51747 1 402 . 1 . 1 89 89 PRO C C 13 177.658 0.000 . 1 . . . . . 484 P C . 51747 1 403 . 1 . 1 89 89 PRO CA C 13 63.109 0.000 . 1 . . . . . 484 P CA . 51747 1 404 . 1 . 1 89 89 PRO CB C 13 31.265 0.000 . 1 . . . . . 484 P CB . 51747 1 405 . 1 . 1 90 90 GLY H H 1 8.655 0.000 . 1 . . . . . 485 G HN . 51747 1 406 . 1 . 1 90 90 GLY C C 13 173.941 0.004 . 1 . . . . . 485 G C . 51747 1 407 . 1 . 1 90 90 GLY CA C 13 44.422 0.006 . 1 . . . . . 485 G CA . 51747 1 408 . 1 . 1 90 90 GLY N N 15 109.756 0.000 . 1 . . . . . 485 G N . 51747 1 409 . 1 . 1 91 91 SER H H 1 8.280 0.001 . 1 . . . . . 486 S HN . 51747 1 410 . 1 . 1 91 91 SER C C 13 172.070 0.000 . 1 . . . . . 486 S C . 51747 1 411 . 1 . 1 91 91 SER CA C 13 56.263 0.000 . 1 . . . . . 486 S CA . 51747 1 412 . 1 . 1 91 91 SER CB C 13 62.517 0.000 . 1 . . . . . 486 S CB . 51747 1 413 . 1 . 1 91 91 SER N N 15 117.185 0.057 . 1 . . . . . 486 S N . 51747 1 414 . 1 . 1 94 94 PRO C C 13 177.003 0.000 . 1 . . . . . 489 P C . 51747 1 415 . 1 . 1 94 94 PRO CA C 13 62.450 0.000 . 1 . . . . . 489 P CA . 51747 1 416 . 1 . 1 94 94 PRO CB C 13 31.266 0.000 . 1 . . . . . 489 P CB . 51747 1 417 . 1 . 1 95 95 SER H H 1 8.535 0.001 . 1 . . . . . 490 S HN . 51747 1 418 . 1 . 1 95 95 SER C C 13 174.156 0.002 . 1 . . . . . 490 S C . 51747 1 419 . 1 . 1 95 95 SER CA C 13 57.855 0.002 . 1 . . . . . 490 S CA . 51747 1 420 . 1 . 1 95 95 SER CB C 13 63.139 0.000 . 1 . . . . . 490 S CB . 51747 1 421 . 1 . 1 95 95 SER N N 15 116.638 0.081 . 1 . . . . . 490 S N . 51747 1 422 . 1 . 1 96 96 GLN H H 1 8.542 0.001 . 1 . . . . . 491 Q HN . 51747 1 423 . 1 . 1 96 96 GLN C C 13 173.847 0.000 . 1 . . . . . 491 Q C . 51747 1 424 . 1 . 1 96 96 GLN CA C 13 53.072 0.000 . 1 . . . . . 491 Q CA . 51747 1 425 . 1 . 1 96 96 GLN CB C 13 28.280 0.000 . 1 . . . . . 491 Q CB . 51747 1 426 . 1 . 1 96 96 GLN N N 15 122.834 0.001 . 1 . . . . . 491 Q N . 51747 1 427 . 1 . 1 97 97 PRO CA C 13 62.526 0.000 . 1 . . . . . 492 P CA . 51747 1 428 . 1 . 1 97 97 PRO CB C 13 31.317 0.000 . 1 . . . . . 492 P CB . 51747 1 429 . 1 . 1 98 98 ASP H H 1 8.646 0.001 . 1 . . . . . 493 D HN . 51747 1 430 . 1 . 1 98 98 ASP CA C 13 51.902 0.000 . 1 . . . . . 493 D CA . 51747 1 431 . 1 . 1 98 98 ASP CB C 13 40.141 0.000 . 1 . . . . . 493 D CB . 51747 1 432 . 1 . 1 98 98 ASP N N 15 122.219 0.001 . 1 . . . . . 493 D N . 51747 1 433 . 1 . 1 99 99 PRO C C 13 177.339 0.000 . 1 . . . . . 494 P C . 51747 1 434 . 1 . 1 99 99 PRO CA C 13 63.184 0.000 . 1 . . . . . 494 P CA . 51747 1 435 . 1 . 1 99 99 PRO CB C 13 31.307 0.000 . 1 . . . . . 494 P CB . 51747 1 436 . 1 . 1 100 100 GLU H H 1 8.516 0.001 . 1 . . . . . 495 E HN . 51747 1 437 . 1 . 1 100 100 GLU C C 13 176.455 0.002 . 1 . . . . . 495 E C . 51747 1 438 . 1 . 1 100 100 GLU CA C 13 56.304 0.014 . 1 . . . . . 495 E CA . 51747 1 439 . 1 . 1 100 100 GLU CB C 13 29.022 0.003 . 1 . . . . . 495 E CB . 51747 1 440 . 1 . 1 100 100 GLU N N 15 118.963 0.017 . 1 . . . . . 495 E N . 51747 1 441 . 1 . 1 101 101 HIS H H 1 8.265 0.000 . 1 . . . . . 496 H HN . 51747 1 442 . 1 . 1 101 101 HIS C C 13 174.716 0.013 . 1 . . . . . 496 H C . 51747 1 443 . 1 . 1 101 101 HIS CA C 13 55.379 0.000 . 1 . . . . . 496 H CA . 51747 1 444 . 1 . 1 101 101 HIS CB C 13 28.800 0.000 . 1 . . . . . 496 H CB . 51747 1 445 . 1 . 1 101 101 HIS N N 15 119.033 0.028 . 1 . . . . . 496 H N . 51747 1 446 . 1 . 1 102 102 LEU H H 1 8.276 0.002 . 1 . . . . . 497 L HN . 51747 1 447 . 1 . 1 102 102 LEU C C 13 177.039 0.002 . 1 . . . . . 497 L C . 51747 1 448 . 1 . 1 102 102 LEU CA C 13 54.733 0.001 . 1 . . . . . 497 L CA . 51747 1 449 . 1 . 1 102 102 LEU CB C 13 41.295 0.019 . 1 . . . . . 497 L CB . 51747 1 450 . 1 . 1 102 102 LEU N N 15 123.341 0.003 . 1 . . . . . 497 L N . 51747 1 451 . 1 . 1 103 103 ASP H H 1 8.579 0.001 . 1 . . . . . 498 D HN . 51747 1 452 . 1 . 1 103 103 ASP C C 13 175.791 0.008 . 1 . . . . . 498 D C . 51747 1 453 . 1 . 1 103 103 ASP CA C 13 53.804 0.002 . 1 . . . . . 498 D CA . 51747 1 454 . 1 . 1 103 103 ASP CB C 13 41.276 0.000 . 1 . . . . . 498 D CB . 51747 1 455 . 1 . 1 103 103 ASP N N 15 120.967 0.022 . 1 . . . . . 498 D N . 51747 1 456 . 1 . 1 104 104 LYS H H 1 8.206 0.001 . 1 . . . . . 499 K HN . 51747 1 457 . 1 . 1 104 104 LYS C C 13 174.401 0.000 . 1 . . . . . 499 K C . 51747 1 458 . 1 . 1 104 104 LYS CA C 13 54.200 0.000 . 1 . . . . . 499 K CA . 51747 1 459 . 1 . 1 104 104 LYS CB C 13 32.019 0.000 . 1 . . . . . 499 K CB . 51747 1 460 . 1 . 1 104 104 LYS N N 15 122.213 0.075 . 1 . . . . . 499 K N . 51747 1 461 . 1 . 1 105 105 PRO C C 13 176.724 0.000 . 1 . . . . . 500 P C . 51747 1 462 . 1 . 1 105 105 PRO CA C 13 62.779 0.000 . 1 . . . . . 500 P CA . 51747 1 463 . 1 . 1 105 105 PRO CB C 13 31.279 0.000 . 1 . . . . . 500 P CB . 51747 1 464 . 1 . 1 106 106 LYS H H 1 8.580 0.001 . 1 . . . . . 501 K HN . 51747 1 465 . 1 . 1 106 106 LYS C C 13 176.731 0.007 . 1 . . . . . 501 K C . 51747 1 466 . 1 . 1 106 106 LYS CA C 13 55.664 0.002 . 1 . . . . . 501 K CA . 51747 1 467 . 1 . 1 106 106 LYS CB C 13 31.923 0.005 . 1 . . . . . 501 K CB . 51747 1 468 . 1 . 1 106 106 LYS N N 15 122.129 0.003 . 1 . . . . . 501 K N . 51747 1 469 . 1 . 1 107 107 LEU H H 1 8.400 0.001 . 1 . . . . . 502 L HN . 51747 1 470 . 1 . 1 107 107 LEU C C 13 177.330 0.003 . 1 . . . . . 502 L C . 51747 1 471 . 1 . 1 107 107 LEU CA C 13 54.442 0.005 . 1 . . . . . 502 L CA . 51747 1 472 . 1 . 1 107 107 LEU CB C 13 41.229 0.041 . 1 . . . . . 502 L CB . 51747 1 473 . 1 . 1 107 107 LEU N N 15 123.920 0.027 . 1 . . . . . 502 L N . 51747 1 474 . 1 . 1 108 108 LYS H H 1 8.508 0.001 . 1 . . . . . 503 K HN . 51747 1 475 . 1 . 1 108 108 LYS C C 13 176.324 0.004 . 1 . . . . . 503 K C . 51747 1 476 . 1 . 1 108 108 LYS CA C 13 55.704 0.004 . 1 . . . . . 503 K CA . 51747 1 477 . 1 . 1 108 108 LYS CB C 13 31.980 0.038 . 1 . . . . . 503 K CB . 51747 1 478 . 1 . 1 108 108 LYS N N 15 123.348 0.047 . 1 . . . . . 503 K N . 51747 1 479 . 1 . 1 109 109 ALA H H 1 8.559 0.003 . 1 . . . . . 504 A HN . 51747 1 480 . 1 . 1 109 109 ALA C C 13 178.343 0.006 . 1 . . . . . 504 A C . 51747 1 481 . 1 . 1 109 109 ALA CA C 13 52.197 0.011 . 1 . . . . . 504 A CA . 51747 1 482 . 1 . 1 109 109 ALA CB C 13 18.450 0.049 . 1 . . . . . 504 A CB . 51747 1 483 . 1 . 1 109 109 ALA N N 15 126.220 0.000 . 1 . . . . . 504 A N . 51747 1 484 . 1 . 1 110 110 GLY H H 1 8.587 0.001 . 1 . . . . . 505 G HN . 51747 1 485 . 1 . 1 110 110 GLY C C 13 174.745 0.007 . 1 . . . . . 505 G C . 51747 1 486 . 1 . 1 110 110 GLY CA C 13 44.752 0.017 . 1 . . . . . 505 G CA . 51747 1 487 . 1 . 1 110 110 GLY N N 15 108.910 0.001 . 1 . . . . . 505 G N . 51747 1 488 . 1 . 1 111 111 GLY H H 1 8.392 0.001 . 1 . . . . . 506 G HN . 51747 1 489 . 1 . 1 111 111 GLY C C 13 174.135 0.010 . 1 . . . . . 506 G C . 51747 1 490 . 1 . 1 111 111 GLY CA C 13 44.731 0.014 . 1 . . . . . 506 G CA . 51747 1 491 . 1 . 1 111 111 GLY N N 15 108.607 0.039 . 1 . . . . . 506 G N . 51747 1 492 . 1 . 1 112 112 SER H H 1 8.423 0.002 . 1 . . . . . 507 S HN . 51747 1 493 . 1 . 1 112 112 SER C C 13 174.362 0.371 . 1 . . . . . 507 S C . 51747 1 494 . 1 . 1 112 112 SER CA C 13 57.886 0.066 . 1 . . . . . 507 S CA . 51747 1 495 . 1 . 1 112 112 SER CB C 13 63.237 0.017 . 1 . . . . . 507 S CB . 51747 1 496 . 1 . 1 112 112 SER N N 15 115.780 0.117 . 1 . . . . . 507 S N . 51747 1 497 . 1 . 1 113 113 VAL H H 1 8.445 0.001 . 1 . . . . . 508 V HN . 51747 1 498 . 1 . 1 113 113 VAL C C 13 176.928 0.019 . 1 . . . . . 508 V C . 51747 1 499 . 1 . 1 113 113 VAL CA C 13 62.555 0.003 . 1 . . . . . 508 V CA . 51747 1 500 . 1 . 1 113 113 VAL CB C 13 31.590 0.018 . 1 . . . . . 508 V CB . 51747 1 501 . 1 . 1 113 113 VAL N N 15 121.970 0.236 . 1 . . . . . 508 V N . 51747 1 502 . 1 . 1 114 114 GLU H H 1 8.633 0.001 . 1 . . . . . 509 E HN . 51747 1 503 . 1 . 1 114 114 GLU C C 13 177.036 0.050 . 1 . . . . . 509 E C . 51747 1 504 . 1 . 1 114 114 GLU CA C 13 56.548 0.279 . 1 . . . . . 509 E CA . 51747 1 505 . 1 . 1 114 114 GLU CB C 13 29.092 0.010 . 1 . . . . . 509 E CB . 51747 1 506 . 1 . 1 114 114 GLU N N 15 123.851 0.009 . 1 . . . . . 509 E N . 51747 1 507 . 1 . 1 115 115 SER H H 1 8.426 0.002 . 1 . . . . . 510 S HN . 51747 1 508 . 1 . 1 115 115 SER C C 13 174.931 0.005 . 1 . . . . . 510 S C . 51747 1 509 . 1 . 1 115 115 SER CA C 13 58.484 0.002 . 1 . . . . . 510 S CA . 51747 1 510 . 1 . 1 115 115 SER CB C 13 62.853 0.007 . 1 . . . . . 510 S CB . 51747 1 511 . 1 . 1 115 115 SER N N 15 117.060 0.000 . 1 . . . . . 510 S N . 51747 1 512 . 1 . 1 116 116 LEU H H 1 8.296 0.001 . 1 . . . . . 511 L HN . 51747 1 513 . 1 . 1 116 116 LEU C C 13 177.985 0.001 . 1 . . . . . 511 L C . 51747 1 514 . 1 . 1 116 116 LEU CA C 13 55.998 0.001 . 1 . . . . . 511 L CA . 51747 1 515 . 1 . 1 116 116 LEU CB C 13 40.971 0.002 . 1 . . . . . 511 L CB . 51747 1 516 . 1 . 1 116 116 LEU N N 15 123.952 0.006 . 1 . . . . . 511 L N . 51747 1 517 . 1 . 1 117 117 ARG H H 1 8.345 0.001 . 1 . . . . . 512 R HN . 51747 1 518 . 1 . 1 117 117 ARG C C 13 176.897 0.032 . 1 . . . . . 512 R C . 51747 1 519 . 1 . 1 117 117 ARG CA C 13 56.234 0.015 . 1 . . . . . 512 R CA . 51747 1 520 . 1 . 1 117 117 ARG CB C 13 29.682 0.009 . 1 . . . . . 512 R CB . 51747 1 521 . 1 . 1 117 117 ARG N N 15 121.552 0.050 . 1 . . . . . 512 R N . 51747 1 522 . 1 . 1 118 118 SER H H 1 8.418 0.001 . 1 . . . . . 513 S HN . 51747 1 523 . 1 . 1 118 118 SER C C 13 175.114 0.021 . 1 . . . . . 513 S C . 51747 1 524 . 1 . 1 118 118 SER CA C 13 58.238 0.041 . 1 . . . . . 513 S CA . 51747 1 525 . 1 . 1 118 118 SER CB C 13 62.883 0.003 . 1 . . . . . 513 S CB . 51747 1 526 . 1 . 1 118 118 SER N N 15 116.641 0.029 . 1 . . . . . 513 S N . 51747 1 527 . 1 . 1 119 119 SER H H 1 8.453 0.000 . 1 . . . . . 514 S HN . 51747 1 528 . 1 . 1 119 119 SER C C 13 174.919 0.015 . 1 . . . . . 514 S C . 51747 1 529 . 1 . 1 119 119 SER CA C 13 58.452 0.007 . 1 . . . . . 514 S CA . 51747 1 530 . 1 . 1 119 119 SER CB C 13 62.849 0.020 . 1 . . . . . 514 S CB . 51747 1 531 . 1 . 1 119 119 SER N N 15 118.069 0.022 . 1 . . . . . 514 S N . 51747 1 532 . 1 . 1 120 120 LEU H H 1 8.310 0.001 . 1 . . . . . 515 L HN . 51747 1 533 . 1 . 1 120 120 LEU C C 13 177.865 0.007 . 1 . . . . . 515 L C . 51747 1 534 . 1 . 1 120 120 LEU CA C 13 55.044 0.014 . 1 . . . . . 515 L CA . 51747 1 535 . 1 . 1 120 120 LEU CB C 13 40.975 0.019 . 1 . . . . . 515 L CB . 51747 1 536 . 1 . 1 120 120 LEU N N 15 123.558 0.020 . 1 . . . . . 515 L N . 51747 1 537 . 1 . 1 121 121 SER H H 1 8.310 0.000 . 1 . . . . . 516 S HN . 51747 1 538 . 1 . 1 121 121 SER C C 13 175.365 0.000 . 1 . . . . . 516 S C . 51747 1 539 . 1 . 1 121 121 SER CA C 13 58.450 0.000 . 1 . . . . . 516 S CA . 51747 1 540 . 1 . 1 121 121 SER CB C 13 62.856 0.000 . 1 . . . . . 516 S CB . 51747 1 541 . 1 . 1 121 121 SER N N 15 115.830 0.000 . 1 . . . . . 516 S N . 51747 1 542 . 1 . 1 122 122 GLY H H 1 8.507 0.000 . 1 . . . . . 517 G HN . 51747 1 543 . 1 . 1 122 122 GLY C C 13 174.478 0.001 . 1 . . . . . 517 G C . 51747 1 544 . 1 . 1 122 122 GLY CA C 13 44.920 0.134 . 1 . . . . . 517 G CA . 51747 1 545 . 1 . 1 122 122 GLY N N 15 110.797 0.006 . 1 . . . . . 517 G N . 51747 1 546 . 1 . 1 123 123 GLN H H 1 8.320 0.000 . 1 . . . . . 518 Q HN . 51747 1 547 . 1 . 1 123 123 GLN C C 13 176.057 0.019 . 1 . . . . . 518 Q C . 51747 1 548 . 1 . 1 123 123 GLN CA C 13 55.657 0.016 . 1 . . . . . 518 Q CA . 51747 1 549 . 1 . 1 123 123 GLN CB C 13 28.470 0.004 . 1 . . . . . 518 Q CB . 51747 1 550 . 1 . 1 123 123 GLN N N 15 119.900 0.101 . 1 . . . . . 518 Q N . 51747 1 551 . 1 . 1 124 124 ASN H H 1 8.637 0.002 . 1 . . . . . 519 N HN . 51747 1 552 . 1 . 1 124 124 ASN C C 13 175.453 0.000 . 1 . . . . . 519 N C . 51747 1 553 . 1 . 1 124 124 ASN CA C 13 53.059 0.006 . 1 . . . . . 519 N CA . 51747 1 554 . 1 . 1 124 124 ASN CB C 13 38.300 0.003 . 1 . . . . . 519 N CB . 51747 1 555 . 1 . 1 124 124 ASN N N 15 119.497 0.012 . 1 . . . . . 519 N N . 51747 1 556 . 1 . 1 125 125 SER H H 1 8.424 0.002 . 1 . . . . . 520 S HN . 51747 1 557 . 1 . 1 125 125 SER C C 13 174.909 0.002 . 1 . . . . . 520 S C . 51747 1 558 . 1 . 1 125 125 SER CA C 13 58.463 0.001 . 1 . . . . . 520 S CA . 51747 1 559 . 1 . 1 125 125 SER CB C 13 62.847 0.010 . 1 . . . . . 520 S CB . 51747 1 560 . 1 . 1 125 125 SER N N 15 116.267 0.013 . 1 . . . . . 520 S N . 51747 1 561 . 1 . 1 126 126 MET H H 1 8.542 0.001 . 1 . . . . . 521 M HN . 51747 1 562 . 1 . 1 126 126 MET C C 13 176.638 0.010 . 1 . . . . . 521 M C . 51747 1 563 . 1 . 1 126 126 MET CA C 13 55.090 0.003 . 1 . . . . . 521 M CA . 51747 1 564 . 1 . 1 126 126 MET CB C 13 31.677 0.065 . 1 . . . . . 521 M CB . 51747 1 565 . 1 . 1 126 126 MET N N 15 121.917 0.011 . 1 . . . . . 521 M N . 51747 1 566 . 1 . 1 127 127 SER H H 1 8.379 0.001 . 1 . . . . . 522 S HN . 51747 1 567 . 1 . 1 127 127 SER C C 13 175.248 0.004 . 1 . . . . . 522 S C . 51747 1 568 . 1 . 1 127 127 SER CA C 13 58.467 0.004 . 1 . . . . . 522 S CA . 51747 1 569 . 1 . 1 127 127 SER CB C 13 62.943 0.030 . 1 . . . . . 522 S CB . 51747 1 570 . 1 . 1 127 127 SER N N 15 116.560 0.002 . 1 . . . . . 522 S N . 51747 1 571 . 1 . 1 128 128 GLY H H 1 8.570 0.001 . 1 . . . . . 523 G HN . 51747 1 572 . 1 . 1 128 128 GLY C C 13 174.170 0.042 . 1 . . . . . 523 G C . 51747 1 573 . 1 . 1 128 128 GLY CA C 13 44.799 0.022 . 1 . . . . . 523 G CA . 51747 1 574 . 1 . 1 128 128 GLY N N 15 110.999 0.018 . 1 . . . . . 523 G N . 51747 1 575 . 1 . 1 129 129 GLN H H 1 8.278 0.002 . 1 . . . . . 524 Q HN . 51747 1 576 . 1 . 1 129 129 GLN C C 13 176.214 0.008 . 1 . . . . . 524 Q C . 51747 1 577 . 1 . 1 129 129 GLN CA C 13 55.298 0.014 . 1 . . . . . 524 Q CA . 51747 1 578 . 1 . 1 129 129 GLN CB C 13 28.818 0.026 . 1 . . . . . 524 Q CB . 51747 1 579 . 1 . 1 129 129 GLN N N 15 119.650 0.000 . 1 . . . . . 524 Q N . 51747 1 580 . 1 . 1 130 130 THR H H 1 8.443 0.000 . 1 . . . . . 525 T HN . 51747 1 581 . 1 . 1 130 130 THR C C 13 174.491 0.001 . 1 . . . . . 525 T C . 51747 1 582 . 1 . 1 130 130 THR CA C 13 61.377 0.023 . 1 . . . . . 525 T CA . 51747 1 583 . 1 . 1 130 130 THR CB C 13 69.333 0.004 . 1 . . . . . 525 T CB . 51747 1 584 . 1 . 1 130 130 THR N N 15 116.859 0.002 . 1 . . . . . 525 T N . 51747 1 585 . 1 . 1 131 131 VAL H H 1 8.419 0.001 . 1 . . . . . 526 V HN . 51747 1 586 . 1 . 1 131 131 VAL C C 13 176.149 0.011 . 1 . . . . . 526 V C . 51747 1 587 . 1 . 1 131 131 VAL CA C 13 61.616 0.005 . 1 . . . . . 526 V CA . 51747 1 588 . 1 . 1 131 131 VAL CB C 13 31.940 0.013 . 1 . . . . . 526 V CB . 51747 1 589 . 1 . 1 131 131 VAL N N 15 123.470 0.000 . 1 . . . . . 526 V N . 51747 1 590 . 1 . 1 132 132 SER H H 1 8.663 0.001 . 1 . . . . . 527 S HN . 51747 1 591 . 1 . 1 132 132 SER C C 13 174.987 0.010 . 1 . . . . . 527 S C . 51747 1 592 . 1 . 1 132 132 SER CA C 13 57.541 0.010 . 1 . . . . . 527 S CA . 51747 1 593 . 1 . 1 132 132 SER CB C 13 63.132 0.037 . 1 . . . . . 527 S CB . 51747 1 594 . 1 . 1 132 132 SER N N 15 120.251 0.001 . 1 . . . . . 527 S N . 51747 1 595 . 1 . 1 133 133 THR H H 1 8.495 0.002 . 1 . . . . . 528 T HN . 51747 1 596 . 1 . 1 133 133 THR C C 13 174.883 0.017 . 1 . . . . . 528 T C . 51747 1 597 . 1 . 1 133 133 THR CA C 13 61.382 0.007 . 1 . . . . . 528 T CA . 51747 1 598 . 1 . 1 133 133 THR CB C 13 69.031 0.034 . 1 . . . . . 528 T CB . 51747 1 599 . 1 . 1 133 133 THR N N 15 116.624 0.047 . 1 . . . . . 528 T N . 51747 1 600 . 1 . 1 134 134 THR H H 1 8.297 0.001 . 1 . . . . . 529 T HN . 51747 1 601 . 1 . 1 134 134 THR C C 13 174.414 0.009 . 1 . . . . . 529 T C . 51747 1 602 . 1 . 1 134 134 THR CA C 13 61.576 0.001 . 1 . . . . . 529 T CA . 51747 1 603 . 1 . 1 134 134 THR CB C 13 69.213 0.001 . 1 . . . . . 529 T CB . 51747 1 604 . 1 . 1 134 134 THR N N 15 115.830 0.000 . 1 . . . . . 529 T N . 51747 1 605 . 1 . 1 135 135 ASP H H 1 8.460 0.001 . 1 . . . . . 530 D HN . 51747 1 606 . 1 . 1 135 135 ASP C C 13 176.450 0.010 . 1 . . . . . 530 D C . 51747 1 607 . 1 . 1 135 135 ASP CA C 13 53.861 0.071 . 1 . . . . . 530 D CA . 51747 1 608 . 1 . 1 135 135 ASP CB C 13 40.545 0.126 . 1 . . . . . 530 D CB . 51747 1 609 . 1 . 1 135 135 ASP N N 15 123.120 0.000 . 1 . . . . . 530 D N . 51747 1 610 . 1 . 1 136 136 SER H H 1 8.536 0.002 . 1 . . . . . 531 S HN . 51747 1 611 . 1 . 1 136 136 SER C C 13 175.109 0.010 . 1 . . . . . 531 S C . 51747 1 612 . 1 . 1 136 136 SER CA C 13 58.159 0.004 . 1 . . . . . 531 S CA . 51747 1 613 . 1 . 1 136 136 SER CB C 13 62.851 0.019 . 1 . . . . . 531 S CB . 51747 1 614 . 1 . 1 136 136 SER N N 15 117.293 0.003 . 1 . . . . . 531 S N . 51747 1 615 . 1 . 1 137 137 SER H H 1 8.584 0.001 . 1 . . . . . 532 S HN . 51747 1 616 . 1 . 1 137 137 SER C C 13 175.229 0.001 . 1 . . . . . 532 S C . 51747 1 617 . 1 . 1 137 137 SER CA C 13 58.784 0.007 . 1 . . . . . 532 S CA . 51747 1 618 . 1 . 1 137 137 SER CB C 13 63.034 0.008 . 1 . . . . . 532 S CB . 51747 1 619 . 1 . 1 137 137 SER N N 15 118.331 0.048 . 1 . . . . . 532 S N . 51747 1 620 . 1 . 1 138 138 THR H H 1 8.227 0.001 . 1 . . . . . 533 T HN . 51747 1 621 . 1 . 1 138 138 THR C C 13 174.812 0.004 . 1 . . . . . 533 T C . 51747 1 622 . 1 . 1 138 138 THR CA C 13 61.596 0.002 . 1 . . . . . 533 T CA . 51747 1 623 . 1 . 1 138 138 THR CB C 13 68.871 0.001 . 1 . . . . . 533 T CB . 51747 1 624 . 1 . 1 138 138 THR N N 15 115.204 0.024 . 1 . . . . . 533 T N . 51747 1 625 . 1 . 1 139 139 SER H H 1 8.295 0.001 . 1 . . . . . 534 S HN . 51747 1 626 . 1 . 1 139 139 SER C C 13 174.369 0.002 . 1 . . . . . 534 S C . 51747 1 627 . 1 . 1 139 139 SER CA C 13 58.154 0.008 . 1 . . . . . 534 S CA . 51747 1 628 . 1 . 1 139 139 SER CB C 13 63.025 0.011 . 1 . . . . . 534 S CB . 51747 1 629 . 1 . 1 139 139 SER N N 15 117.682 0.016 . 1 . . . . . 534 S N . 51747 1 630 . 1 . 1 140 140 ASN H H 1 8.548 0.000 . 1 . . . . . 535 N HN . 51747 1 631 . 1 . 1 140 140 ASN C C 13 175.335 0.001 . 1 . . . . . 535 N C . 51747 1 632 . 1 . 1 140 140 ASN CA C 13 53.133 0.002 . 1 . . . . . 535 N CA . 51747 1 633 . 1 . 1 140 140 ASN CB C 13 38.043 0.008 . 1 . . . . . 535 N CB . 51747 1 634 . 1 . 1 140 140 ASN N N 15 120.928 0.047 . 1 . . . . . 535 N N . 51747 1 635 . 1 . 1 141 141 ARG H H 1 8.413 0.002 . 1 . . . . . 536 R HN . 51747 1 636 . 1 . 1 141 141 ARG C C 13 176.479 0.035 . 1 . . . . . 536 R C . 51747 1 637 . 1 . 1 141 141 ARG CA C 13 56.033 0.076 . 1 . . . . . 536 R CA . 51747 1 638 . 1 . 1 141 141 ARG CB C 13 29.652 0.022 . 1 . . . . . 536 R CB . 51747 1 639 . 1 . 1 141 141 ARG N N 15 121.446 0.005 . 1 . . . . . 536 R N . 51747 1 640 . 1 . 1 142 142 GLU H H 1 8.548 0.001 . 1 . . . . . 537 E HN . 51747 1 641 . 1 . 1 142 142 GLU C C 13 176.586 0.000 . 1 . . . . . 537 E C . 51747 1 642 . 1 . 1 142 142 GLU CA C 13 56.226 0.000 . 1 . . . . . 537 E CA . 51747 1 643 . 1 . 1 142 142 GLU CB C 13 29.175 0.008 . 1 . . . . . 537 E CB . 51747 1 644 . 1 . 1 142 142 GLU N N 15 121.560 0.000 . 1 . . . . . 537 E N . 51747 1 645 . 1 . 1 143 143 SER H H 1 8.435 0.002 . 1 . . . . . 538 S HN . 51747 1 646 . 1 . 1 143 143 SER C C 13 174.377 0.010 . 1 . . . . . 538 S C . 51747 1 647 . 1 . 1 143 143 SER CA C 13 57.861 0.025 . 1 . . . . . 538 S CA . 51747 1 648 . 1 . 1 143 143 SER CB C 13 62.861 0.001 . 1 . . . . . 538 S CB . 51747 1 649 . 1 . 1 143 143 SER N N 15 117.158 0.027 . 1 . . . . . 538 S N . 51747 1 650 . 1 . 1 144 144 VAL H H 1 8.297 0.001 . 1 . . . . . 539 V HN . 51747 1 651 . 1 . 1 144 144 VAL C C 13 176.114 0.001 . 1 . . . . . 539 V C . 51747 1 652 . 1 . 1 144 144 VAL CA C 13 61.596 0.003 . 1 . . . . . 539 V CA . 51747 1 653 . 1 . 1 144 144 VAL CB C 13 31.864 0.011 . 1 . . . . . 539 V CB . 51747 1 654 . 1 . 1 144 144 VAL N N 15 122.487 0.031 . 1 . . . . . 539 V N . 51747 1 655 . 1 . 1 145 145 LYS H H 1 8.577 0.006 . 1 . . . . . 540 K HN . 51747 1 656 . 1 . 1 145 145 LYS C C 13 176.599 0.002 . 1 . . . . . 540 K C . 51747 1 657 . 1 . 1 145 145 LYS CA C 13 55.695 0.000 . 1 . . . . . 540 K CA . 51747 1 658 . 1 . 1 145 145 LYS CB C 13 32.528 0.000 . 1 . . . . . 540 K CB . 51747 1 659 . 1 . 1 145 145 LYS N N 15 126.351 0.015 . 1 . . . . . 540 K N . 51747 1 660 . 1 . 1 146 146 SER H H 1 8.666 0.002 . 1 . . . . . 541 S HN . 51747 1 661 . 1 . 1 146 146 SER C C 13 174.879 0.010 . 1 . . . . . 541 S C . 51747 1 662 . 1 . 1 146 146 SER CA C 13 57.862 0.021 . 1 . . . . . 541 S CA . 51747 1 663 . 1 . 1 146 146 SER CB C 13 62.918 0.037 . 1 . . . . . 541 S CB . 51747 1 664 . 1 . 1 146 146 SER N N 15 118.677 0.018 . 1 . . . . . 541 S N . 51747 1 665 . 1 . 1 147 147 GLU H H 1 8.765 0.002 . 1 . . . . . 542 E HN . 51747 1 666 . 1 . 1 147 147 GLU C C 13 176.364 0.000 . 1 . . . . . 542 E C . 51747 1 667 . 1 . 1 147 147 GLU CA C 13 56.074 0.063 . 1 . . . . . 542 E CA . 51747 1 668 . 1 . 1 147 147 GLU CB C 13 29.218 0.065 . 1 . . . . . 542 E CB . 51747 1 669 . 1 . 1 147 147 GLU N N 15 123.148 0.118 . 1 . . . . . 542 E N . 51747 1 670 . 1 . 1 148 148 ASP H H 1 8.424 0.000 . 1 . . . . . 543 D HN . 51747 1 671 . 1 . 1 148 148 ASP C C 13 176.726 0.000 . 1 . . . . . 543 D C . 51747 1 672 . 1 . 1 148 148 ASP CA C 13 54.113 0.002 . 1 . . . . . 543 D CA . 51747 1 673 . 1 . 1 148 148 ASP CB C 13 40.590 0.002 . 1 . . . . . 543 D CB . 51747 1 674 . 1 . 1 148 148 ASP N N 15 120.646 0.018 . 1 . . . . . 543 D N . 51747 1 675 . 1 . 1 149 149 GLY H H 1 8.360 0.001 . 1 . . . . . 544 G HN . 51747 1 676 . 1 . 1 149 149 GLY C C 13 173.938 0.047 . 1 . . . . . 544 G C . 51747 1 677 . 1 . 1 149 149 GLY CA C 13 44.744 0.007 . 1 . . . . . 544 G CA . 51747 1 678 . 1 . 1 149 149 GLY N N 15 109.139 0.031 . 1 . . . . . 544 G N . 51747 1 679 . 1 . 1 150 150 ASP H H 1 8.366 0.000 . 1 . . . . . 545 D HN . 51747 1 680 . 1 . 1 150 150 ASP C C 13 176.115 0.004 . 1 . . . . . 545 D C . 51747 1 681 . 1 . 1 150 150 ASP CA C 13 53.826 0.004 . 1 . . . . . 545 D CA . 51747 1 682 . 1 . 1 150 150 ASP CB C 13 40.694 0.015 . 1 . . . . . 545 D CB . 51747 1 683 . 1 . 1 150 150 ASP N N 15 120.490 0.001 . 1 . . . . . 545 D N . 51747 1 684 . 1 . 1 151 151 ASP H H 1 8.479 0.002 . 1 . . . . . 546 D HN . 51747 1 685 . 1 . 1 151 151 ASP C C 13 176.210 0.003 . 1 . . . . . 546 D C . 51747 1 686 . 1 . 1 151 151 ASP CA C 13 54.063 0.021 . 1 . . . . . 546 D CA . 51747 1 687 . 1 . 1 151 151 ASP CB C 13 40.405 0.026 . 1 . . . . . 546 D CB . 51747 1 688 . 1 . 1 151 151 ASP N N 15 120.461 0.001 . 1 . . . . . 546 D N . 51747 1 689 . 1 . 1 152 152 GLU H H 1 8.401 0.001 . 1 . . . . . 547 E HN . 51747 1 690 . 1 . 1 152 152 GLU C C 13 176.420 0.000 . 1 . . . . . 547 E C . 51747 1 691 . 1 . 1 152 152 GLU CA C 13 55.676 0.031 . 1 . . . . . 547 E CA . 51747 1 692 . 1 . 1 152 152 GLU CB C 13 29.736 0.000 . 1 . . . . . 547 E CB . 51747 1 693 . 1 . 1 152 152 GLU N N 15 120.879 0.002 . 1 . . . . . 547 E N . 51747 1 694 . 1 . 1 153 153 GLU H H 1 8.563 0.001 . 1 . . . . . 548 E HN . 51747 1 695 . 1 . 1 153 153 GLU C C 13 174.150 0.000 . 1 . . . . . 548 E C . 51747 1 696 . 1 . 1 153 153 GLU CA C 13 53.776 0.000 . 1 . . . . . 548 E CA . 51747 1 697 . 1 . 1 153 153 GLU CB C 13 28.790 0.000 . 1 . . . . . 548 E CB . 51747 1 698 . 1 . 1 153 153 GLU N N 15 123.885 0.011 . 1 . . . . . 548 E N . 51747 1 699 . 1 . 1 155 155 PRO CA C 13 62.536 0.000 . 1 . . . . . 550 P CA . 51747 1 700 . 1 . 1 155 155 PRO CB C 13 31.254 0.000 . 1 . . . . . 550 P CB . 51747 1 701 . 1 . 1 156 156 TYR H H 1 8.425 0.000 . 1 . . . . . 551 Y HN . 51747 1 702 . 1 . 1 156 156 TYR C C 13 175.891 0.000 . 1 . . . . . 551 Y C . 51747 1 703 . 1 . 1 156 156 TYR CA C 13 57.854 0.001 . 1 . . . . . 551 Y CA . 51747 1 704 . 1 . 1 156 156 TYR CB C 13 37.841 0.000 . 1 . . . . . 551 Y CB . 51747 1 705 . 1 . 1 156 156 TYR N N 15 120.890 0.000 . 1 . . . . . 551 Y N . 51747 1 706 . 1 . 1 157 157 ARG H H 1 8.313 0.002 . 1 . . . . . 552 R HN . 51747 1 707 . 1 . 1 157 157 ARG C C 13 175.584 0.001 . 1 . . . . . 552 R C . 51747 1 708 . 1 . 1 157 157 ARG CA C 13 54.742 0.015 . 1 . . . . . 552 R CA . 51747 1 709 . 1 . 1 157 157 ARG CB C 13 30.043 0.003 . 1 . . . . . 552 R CB . 51747 1 710 . 1 . 1 157 157 ARG N N 15 125.806 0.123 . 1 . . . . . 552 R N . 51747 1 711 . 1 . 1 158 158 GLY H H 1 7.145 0.000 . 1 . . . . . 553 G HN . 51747 1 712 . 1 . 1 158 158 GLY C C 13 171.539 0.000 . 1 . . . . . 553 G C . 51747 1 713 . 1 . 1 158 158 GLY CA C 13 44.135 0.000 . 1 . . . . . 553 G CA . 51747 1 714 . 1 . 1 158 158 GLY N N 15 108.847 0.033 . 1 . . . . . 553 G N . 51747 1 715 . 1 . 1 159 159 PRO C C 13 177.168 0.000 . 1 . . . . . 554 P C . 51747 1 716 . 1 . 1 159 159 PRO CA C 13 62.732 0.000 . 1 . . . . . 554 P CA . 51747 1 717 . 1 . 1 159 159 PRO CB C 13 31.231 0.000 . 1 . . . . . 554 P CB . 51747 1 718 . 1 . 1 160 160 PHE H H 1 8.621 0.001 . 1 . . . . . 555 F HN . 51747 1 719 . 1 . 1 160 160 PHE C C 13 176.002 0.000 . 1 . . . . . 555 F C . 51747 1 720 . 1 . 1 160 160 PHE CA C 13 57.895 0.003 . 1 . . . . . 555 F CA . 51747 1 721 . 1 . 1 160 160 PHE CB C 13 38.169 0.000 . 1 . . . . . 555 F CB . 51747 1 722 . 1 . 1 160 160 PHE N N 15 120.617 0.002 . 1 . . . . . 555 F N . 51747 1 723 . 1 . 1 161 161 CYS H H 1 8.294 0.001 . 1 . . . . . 556 C HN . 51747 1 724 . 1 . 1 161 161 CYS C C 13 174.691 0.000 . 1 . . . . . 556 C C . 51747 1 725 . 1 . 1 161 161 CYS CA C 13 58.193 0.000 . 1 . . . . . 556 C CA . 51747 1 726 . 1 . 1 161 161 CYS CB C 13 27.431 0.007 . 1 . . . . . 556 C CB . 51747 1 727 . 1 . 1 161 161 CYS N N 15 121.442 0.000 . 1 . . . . . 556 C N . 51747 1 728 . 1 . 1 162 162 GLY H H 1 7.948 0.002 . 1 . . . . . 557 G HN . 51747 1 729 . 1 . 1 162 162 GLY C C 13 173.773 0.051 . 1 . . . . . 557 G C . 51747 1 730 . 1 . 1 162 162 GLY CA C 13 44.773 0.031 . 1 . . . . . 557 G CA . 51747 1 731 . 1 . 1 162 162 GLY N N 15 110.785 0.011 . 1 . . . . . 557 G N . 51747 1 732 . 1 . 1 163 163 ARG H H 1 8.201 0.005 . 1 . . . . . 558 R HN . 51747 1 733 . 1 . 1 163 163 ARG C C 13 176.007 0.000 . 1 . . . . . 558 R C . 51747 1 734 . 1 . 1 163 163 ARG CA C 13 55.506 0.000 . 1 . . . . . 558 R CA . 51747 1 735 . 1 . 1 163 163 ARG CB C 13 30.004 0.000 . 1 . . . . . 558 R CB . 51747 1 736 . 1 . 1 163 163 ARG N N 15 120.737 0.000 . 1 . . . . . 558 R N . 51747 1 737 . 1 . 1 164 164 ALA H H 1 8.475 0.002 . 1 . . . . . 559 A HN . 51747 1 738 . 1 . 1 164 164 ALA C C 13 177.625 0.000 . 1 . . . . . 559 A C . 51747 1 739 . 1 . 1 164 164 ALA CA C 13 51.914 0.000 . 1 . . . . . 559 A CA . 51747 1 740 . 1 . 1 164 164 ALA CB C 13 18.342 0.000 . 1 . . . . . 559 A CB . 51747 1 741 . 1 . 1 164 164 ALA N N 15 125.309 0.027 . 1 . . . . . 559 A N . 51747 1 742 . 1 . 1 165 165 ARG H H 1 8.459 0.004 . 1 . . . . . 560 R HN . 51747 1 743 . 1 . 1 165 165 ARG C C 13 176.275 0.000 . 1 . . . . . 560 R C . 51747 1 744 . 1 . 1 165 165 ARG CA C 13 55.528 0.000 . 1 . . . . . 560 R CA . 51747 1 745 . 1 . 1 165 165 ARG CB C 13 29.850 0.000 . 1 . . . . . 560 R CB . 51747 1 746 . 1 . 1 165 165 ARG N N 15 121.164 0.010 . 1 . . . . . 560 R N . 51747 1 747 . 1 . 1 166 166 VAL H H 1 8.337 0.003 . 1 . . . . . 561 V HN . 51747 1 748 . 1 . 1 166 166 VAL C C 13 175.974 0.000 . 1 . . . . . 561 V C . 51747 1 749 . 1 . 1 166 166 VAL CA C 13 61.625 0.000 . 1 . . . . . 561 V CA . 51747 1 750 . 1 . 1 166 166 VAL CB C 13 31.822 0.000 . 1 . . . . . 561 V CB . 51747 1 751 . 1 . 1 166 166 VAL N N 15 122.041 0.001 . 1 . . . . . 561 V N . 51747 1 752 . 1 . 1 167 167 HIS H H 1 8.713 0.006 . 1 . . . . . 562 H HN . 51747 1 753 . 1 . 1 167 167 HIS C C 13 174.790 0.000 . 1 . . . . . 562 H C . 51747 1 754 . 1 . 1 167 167 HIS CA C 13 55.564 0.000 . 1 . . . . . 562 H CA . 51747 1 755 . 1 . 1 167 167 HIS CB C 13 29.442 0.000 . 1 . . . . . 562 H CB . 51747 1 756 . 1 . 1 167 167 HIS N N 15 123.620 0.035 . 1 . . . . . 562 H N . 51747 1 757 . 1 . 1 168 168 THR H H 1 8.248 0.006 . 1 . . . . . 563 T HN . 51747 1 758 . 1 . 1 168 168 THR C C 13 173.320 0.000 . 1 . . . . . 563 T C . 51747 1 759 . 1 . 1 168 168 THR CA C 13 60.934 0.000 . 1 . . . . . 563 T CA . 51747 1 760 . 1 . 1 168 168 THR CB C 13 69.454 0.000 . 1 . . . . . 563 T CB . 51747 1 761 . 1 . 1 168 168 THR N N 15 116.592 0.004 . 1 . . . . . 563 T N . 51747 1 762 . 1 . 1 169 169 ASP H H 1 8.187 0.004 . 1 . . . . . 564 D HN . 51747 1 763 . 1 . 1 169 169 ASP C C 13 180.963 0.000 . 1 . . . . . 564 D C . 51747 1 764 . 1 . 1 169 169 ASP CA C 13 55.648 0.000 . 1 . . . . . 564 D CA . 51747 1 765 . 1 . 1 169 169 ASP CB C 13 41.440 0.000 . 1 . . . . . 564 D CB . 51747 1 766 . 1 . 1 169 169 ASP N N 15 127.903 0.013 . 1 . . . . . 564 D N . 51747 1 stop_ save_