################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 15986 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.01 _Assigned_chem_shift_list.Chem_shift_13C_err 0.2 _Assigned_chem_shift_list.Chem_shift_15N_err 0.1 _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 'Digital resolution' _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' . . . 15986 1 2 '3D HNCA' . . . 15986 1 3 '3D CBCA(CO)NH' . . . 15986 1 4 '3D CBCANH' . . . 15986 1 5 '3D 1H-15N NOESY' . . . 15986 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 2 $PIPP . . 15986 1 4 $SPARKY . . 15986 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 ASP CA C 13 53.43 0.2 . 1 . . . . 516 ASP CA . 15986 1 2 . 1 1 1 1 ASP CB C 13 42.45 0.2 . 1 . . . . 516 ASP CB . 15986 1 3 . 1 1 2 2 GLN H H 1 8.496 0.01 . 1 . . . . 517 GLN HN . 15986 1 4 . 1 1 2 2 GLN CA C 13 55.36 0.2 . 1 . . . . 517 GLN CA . 15986 1 5 . 1 1 2 2 GLN CB C 13 32.48 0.2 . 1 . . . . 517 GLN CB . 15986 1 6 . 1 1 2 2 GLN N N 15 117.59 0.1 . 1 . . . . 517 GLN N . 15986 1 7 . 1 1 3 3 CYS H H 1 8.922 0.01 . 1 . . . . 518 CYS HN . 15986 1 8 . 1 1 3 3 CYS CA C 13 55.77 0.2 . 1 . . . . 518 CYS CA . 15986 1 9 . 1 1 3 3 CYS CB C 13 43.76 0.2 . 1 . . . . 518 CYS CB . 15986 1 10 . 1 1 3 3 CYS N N 15 115.35 0.1 . 1 . . . . 518 CYS N . 15986 1 11 . 1 1 4 4 ILE H H 1 8.717 0.01 . 1 . . . . 519 ILE HN . 15986 1 12 . 1 1 4 4 ILE CA C 13 61.01 0.2 . 1 . . . . 519 ILE CA . 15986 1 13 . 1 1 4 4 ILE CB C 13 38.7 0.2 . 1 . . . . 519 ILE CB . 15986 1 14 . 1 1 4 4 ILE N N 15 124.07 0.1 . 1 . . . . 519 ILE N . 15986 1 15 . 1 1 5 5 VAL H H 1 8.558 0.01 . 1 . . . . 520 VAL HN . 15986 1 16 . 1 1 5 5 VAL CA C 13 61.06 0.2 . 1 . . . . 520 VAL CA . 15986 1 17 . 1 1 5 5 VAL CB C 13 33.56 0.2 . 1 . . . . 520 VAL CB . 15986 1 18 . 1 1 5 5 VAL N N 15 127.64 0.1 . 1 . . . . 520 VAL N . 15986 1 19 . 1 1 6 6 ASP H H 1 9.162 0.01 . 1 . . . . 521 ASP HN . 15986 1 20 . 1 1 6 6 ASP CA C 13 55.98 0.2 . 1 . . . . 521 ASP CA . 15986 1 21 . 1 1 6 6 ASP CB C 13 39.04 0.2 . 1 . . . . 521 ASP CB . 15986 1 22 . 1 1 6 6 ASP N N 15 129.79 0.1 . 1 . . . . 521 ASP N . 15986 1 23 . 1 1 7 7 ASP H H 1 8.242 0.01 . 1 . . . . 522 ASP HN . 15986 1 24 . 1 1 7 7 ASP CA C 13 56.28 0.2 . 1 . . . . 522 ASP CA . 15986 1 25 . 1 1 7 7 ASP CB C 13 39.79 0.2 . 1 . . . . 522 ASP CB . 15986 1 26 . 1 1 7 7 ASP N N 15 108.32 0.1 . 1 . . . . 522 ASP N . 15986 1 27 . 1 1 8 8 ILE H H 1 7.678 0.01 . 1 . . . . 523 ILE HN . 15986 1 28 . 1 1 8 8 ILE CA C 13 59.96 0.2 . 1 . . . . 523 ILE CA . 15986 1 29 . 1 1 8 8 ILE CB C 13 38.05 0.2 . 1 . . . . 523 ILE CB . 15986 1 30 . 1 1 8 8 ILE N N 15 123.76 0.1 . 1 . . . . 523 ILE N . 15986 1 31 . 1 1 9 9 THR H H 1 7.792 0.01 . 1 . . . . 524 THR HN . 15986 1 32 . 1 1 9 9 THR CA C 13 62 0.2 . 1 . . . . 524 THR CA . 15986 1 33 . 1 1 9 9 THR CB C 13 69.3 0.2 . 1 . . . . 524 THR CB . 15986 1 34 . 1 1 9 9 THR N N 15 120.72 0.1 . 1 . . . . 524 THR N . 15986 1 35 . 1 1 10 10 TYR H H 1 9.251 0.01 . 1 . . . . 525 TYR HN . 15986 1 36 . 1 1 10 10 TYR CA C 13 57.35 0.2 . 1 . . . . 525 TYR CA . 15986 1 37 . 1 1 10 10 TYR CB C 13 41.93 0.2 . 1 . . . . 525 TYR CB . 15986 1 38 . 1 1 10 10 TYR N N 15 125.69 0.1 . 1 . . . . 525 TYR N . 15986 1 39 . 1 1 11 11 ASN H H 1 9.141 0.01 . 1 . . . . 526 ASN HN . 15986 1 40 . 1 1 11 11 ASN CA C 13 51.99 0.2 . 1 . . . . 526 ASN CA . 15986 1 41 . 1 1 11 11 ASN CB C 13 40.33 0.2 . 1 . . . . 526 ASN CB . 15986 1 42 . 1 1 11 11 ASN N N 15 119.44 0.1 . 1 . . . . 526 ASN N . 15986 1 43 . 1 1 12 12 VAL H H 1 8.593 0.01 . 1 . . . . 527 VAL HN . 15986 1 44 . 1 1 12 12 VAL CA C 13 66.05 0.2 . 1 . . . . 527 VAL CA . 15986 1 45 . 1 1 12 12 VAL CB C 13 31.24 0.2 . 1 . . . . 527 VAL CB . 15986 1 46 . 1 1 12 12 VAL N N 15 120.59 0.1 . 1 . . . . 527 VAL N . 15986 1 47 . 1 1 13 13 GLN H H 1 9.171 0.01 . 1 . . . . 528 GLN HN . 15986 1 48 . 1 1 13 13 GLN CA C 13 59.11 0.2 . 1 . . . . 528 GLN CA . 15986 1 49 . 1 1 13 13 GLN CB C 13 26.72 0.2 . 1 . . . . 528 GLN CB . 15986 1 50 . 1 1 13 13 GLN N N 15 118.66 0.1 . 1 . . . . 528 GLN N . 15986 1 51 . 1 1 14 14 ASP H H 1 8.307 0.01 . 1 . . . . 529 ASP HN . 15986 1 52 . 1 1 14 14 ASP CA C 13 55.99 0.2 . 1 . . . . 529 ASP CA . 15986 1 53 . 1 1 14 14 ASP CB C 13 41.41 0.2 . 1 . . . . 529 ASP CB . 15986 1 54 . 1 1 14 14 ASP N N 15 121.34 0.1 . 1 . . . . 529 ASP N . 15986 1 55 . 1 1 15 15 THR H H 1 8.133 0.01 . 1 . . . . 530 THR HN . 15986 1 56 . 1 1 15 15 THR CA C 13 58.84 0.2 . 1 . . . . 530 THR CA . 15986 1 57 . 1 1 15 15 THR CB C 13 71.56 0.2 . 1 . . . . 530 THR CB . 15986 1 58 . 1 1 15 15 THR N N 15 109.56 0.1 . 1 . . . . 530 THR N . 15986 1 59 . 1 1 16 16 PHE H H 1 7.699 0.01 . 1 . . . . 531 PHE HN . 15986 1 60 . 1 1 16 16 PHE CA C 13 55.93 0.2 . 1 . . . . 531 PHE CA . 15986 1 61 . 1 1 16 16 PHE CB C 13 39.11 0.2 . 1 . . . . 531 PHE CB . 15986 1 62 . 1 1 16 16 PHE N N 15 115.41 0.1 . 1 . . . . 531 PHE N . 15986 1 63 . 1 1 17 17 HIS H H 1 8.798 0.01 . 1 . . . . 532 HIS HN . 15986 1 64 . 1 1 17 17 HIS CA C 13 55.4 0.2 . 1 . . . . 532 HIS CA . 15986 1 65 . 1 1 17 17 HIS CB C 13 33.09 0.2 . 1 . . . . 532 HIS CB . 15986 1 66 . 1 1 17 17 HIS N N 15 119.69 0.1 . 1 . . . . 532 HIS N . 15986 1 67 . 1 1 18 18 LYS H H 1 8.255 0.01 . 1 . . . . 533 LYS HN . 15986 1 68 . 1 1 18 18 LYS CA C 13 55.51 0.2 . 1 . . . . 533 LYS CA . 15986 1 69 . 1 1 18 18 LYS CB C 13 37.46 0.2 . 1 . . . . 533 LYS CB . 15986 1 70 . 1 1 18 18 LYS N N 15 120.46 0.1 . 1 . . . . 533 LYS N . 15986 1 71 . 1 1 19 19 LYS H H 1 8.756 0.01 . 1 . . . . 534 LYS HN . 15986 1 72 . 1 1 19 19 LYS CA C 13 55.48 0.2 . 1 . . . . 534 LYS CA . 15986 1 73 . 1 1 19 19 LYS CB C 13 33.53 0.2 . 1 . . . . 534 LYS CB . 15986 1 74 . 1 1 19 19 LYS N N 15 125.57 0.1 . 1 . . . . 534 LYS N . 15986 1 75 . 1 1 20 20 HIS H H 1 9.095 0.01 . 1 . . . . 535 HIS HN . 15986 1 76 . 1 1 20 20 HIS CA C 13 58.09 0.2 . 1 . . . . 535 HIS CA . 15986 1 77 . 1 1 20 20 HIS CB C 13 30.75 0.2 . 1 . . . . 535 HIS CB . 15986 1 78 . 1 1 20 20 HIS N N 15 128.89 0.1 . 1 . . . . 535 HIS N . 15986 1 79 . 1 1 21 21 GLU H H 1 8.559 0.01 . 1 . . . . 536 GLU HN . 15986 1 80 . 1 1 21 21 GLU CA C 13 60.51 0.2 . 1 . . . . 536 GLU CA . 15986 1 81 . 1 1 21 21 GLU CB C 13 28.96 0.2 . 1 . . . . 536 GLU CB . 15986 1 82 . 1 1 21 21 GLU N N 15 131.29 0.1 . 1 . . . . 536 GLU N . 15986 1 83 . 1 1 22 22 GLU H H 1 11.614 0.01 . 1 . . . . 537 GLU HN . 15986 1 84 . 1 1 22 22 GLU CA C 13 58.24 0.2 . 1 . . . . 537 GLU CA . 15986 1 85 . 1 1 22 22 GLU CB C 13 29.49 0.2 . 1 . . . . 537 GLU CB . 15986 1 86 . 1 1 22 22 GLU N N 15 120.87 0.1 . 1 . . . . 537 GLU N . 15986 1 87 . 1 1 23 23 GLY H H 1 8.161 0.01 . 1 . . . . 538 GLY HN . 15986 1 88 . 1 1 23 23 GLY CA C 13 45.22 0.2 . 1 . . . . 538 GLY CA . 15986 1 89 . 1 1 23 23 GLY N N 15 104.83 0.1 . 1 . . . . 538 GLY N . 15986 1 90 . 1 1 24 24 HIS H H 1 7.611 0.01 . 1 . . . . 539 HIS HN . 15986 1 91 . 1 1 24 24 HIS CA C 13 55.01 0.2 . 1 . . . . 539 HIS CA . 15986 1 92 . 1 1 24 24 HIS CB C 13 29.43 0.2 . 1 . . . . 539 HIS CB . 15986 1 93 . 1 1 24 24 HIS N N 15 117.88 0.1 . 1 . . . . 539 HIS N . 15986 1 94 . 1 1 25 25 MET H H 1 9.277 0.01 . 1 . . . . 540 MET HN . 15986 1 95 . 1 1 25 25 MET CA C 13 54.3 0.2 . 1 . . . . 540 MET CA . 15986 1 96 . 1 1 25 25 MET CB C 13 31.88 0.2 . 1 . . . . 540 MET CB . 15986 1 97 . 1 1 25 25 MET N N 15 119.17 0.1 . 1 . . . . 540 MET N . 15986 1 98 . 1 1 26 26 LEU H H 1 8.883 0.01 . 1 . . . . 541 LEU HN . 15986 1 99 . 1 1 26 26 LEU CA C 13 53.29 0.2 . 1 . . . . 541 LEU CA . 15986 1 100 . 1 1 26 26 LEU CB C 13 45.54 0.2 . 1 . . . . 541 LEU CB . 15986 1 101 . 1 1 26 26 LEU N N 15 122.3 0.1 . 1 . . . . 541 LEU N . 15986 1 102 . 1 1 27 27 ASN H H 1 9.659 0.01 . 1 . . . . 542 ASN HN . 15986 1 103 . 1 1 27 27 ASN CA C 13 52.89 0.2 . 1 . . . . 542 ASN CA . 15986 1 104 . 1 1 27 27 ASN CB C 13 40.94 0.2 . 1 . . . . 542 ASN CB . 15986 1 105 . 1 1 27 27 ASN N N 15 118.77 0.1 . 1 . . . . 542 ASN N . 15986 1 106 . 1 1 28 28 CYS H H 1 8.45 0.01 . 1 . . . . 543 CYS HN . 15986 1 107 . 1 1 28 28 CYS CA C 13 55.47 0.2 . 1 . . . . 543 CYS CA . 15986 1 108 . 1 1 28 28 CYS CB C 13 50.2 0.2 . 1 . . . . 543 CYS CB . 15986 1 109 . 1 1 28 28 CYS N N 15 120.41 0.1 . 1 . . . . 543 CYS N . 15986 1 110 . 1 1 29 29 THR H H 1 8.362 0.01 . 1 . . . . 544 THR HN . 15986 1 111 . 1 1 29 29 THR CA C 13 62.29 0.2 . 1 . . . . 544 THR CA . 15986 1 112 . 1 1 29 29 THR CB C 13 72.99 0.2 . 1 . . . . 544 THR CB . 15986 1 113 . 1 1 29 29 THR N N 15 114.74 0.1 . 1 . . . . 544 THR N . 15986 1 114 . 1 1 30 30 CYS H H 1 8.453 0.01 . 1 . . . . 545 CYS HN . 15986 1 115 . 1 1 30 30 CYS CA C 13 54.49 0.2 . 1 . . . . 545 CYS CA . 15986 1 116 . 1 1 30 30 CYS CB C 13 38.03 0.2 . 1 . . . . 545 CYS CB . 15986 1 117 . 1 1 30 30 CYS N N 15 122.01 0.1 . 1 . . . . 545 CYS N . 15986 1 118 . 1 1 31 31 PHE H H 1 9.268 0.01 . 1 . . . . 546 PHE HN . 15986 1 119 . 1 1 31 31 PHE CA C 13 60.22 0.2 . 1 . . . . 546 PHE CA . 15986 1 120 . 1 1 31 31 PHE CB C 13 40.55 0.2 . 1 . . . . 546 PHE CB . 15986 1 121 . 1 1 31 31 PHE N N 15 130.1 0.1 . 1 . . . . 546 PHE N . 15986 1 122 . 1 1 32 32 GLY H H 1 9.336 0.01 . 1 . . . . 547 GLY HN . 15986 1 123 . 1 1 32 32 GLY CA C 13 48.61 0.2 . 1 . . . . 547 GLY CA . 15986 1 124 . 1 1 32 32 GLY N N 15 107.13 0.1 . 1 . . . . 547 GLY N . 15986 1 125 . 1 1 33 33 GLN H H 1 8.995 0.01 . 1 . . . . 548 GLN HN . 15986 1 126 . 1 1 33 33 GLN CA C 13 57.29 0.2 . 1 . . . . 548 GLN CA . 15986 1 127 . 1 1 33 33 GLN CB C 13 25.48 0.2 . 1 . . . . 548 GLN CB . 15986 1 128 . 1 1 33 33 GLN N N 15 123.35 0.1 . 1 . . . . 548 GLN N . 15986 1 129 . 1 1 34 34 GLY H H 1 8.81 0.01 . 1 . . . . 549 GLY HN . 15986 1 130 . 1 1 34 34 GLY CA C 13 45.7 0.2 . 1 . . . . 549 GLY CA . 15986 1 131 . 1 1 34 34 GLY N N 15 108.14 0.1 . 1 . . . . 549 GLY N . 15986 1 132 . 1 1 35 35 ARG H H 1 7.345 0.01 . 1 . . . . 550 ARG HN . 15986 1 133 . 1 1 35 35 ARG CA C 13 54.27 0.2 . 1 . . . . 550 ARG CA . 15986 1 134 . 1 1 35 35 ARG CB C 13 33.07 0.2 . 1 . . . . 550 ARG CB . 15986 1 135 . 1 1 35 35 ARG N N 15 118.03 0.1 . 1 . . . . 550 ARG N . 15986 1 136 . 1 1 36 36 GLY H H 1 10.496 0.01 . 1 . . . . 551 GLY HN . 15986 1 137 . 1 1 36 36 GLY CA C 13 49.33 0.2 . 1 . . . . 551 GLY CA . 15986 1 138 . 1 1 36 36 GLY N N 15 117.02 0.1 . 1 . . . . 551 GLY N . 15986 1 139 . 1 1 37 37 ARG H H 1 9.085 0.01 . 1 . . . . 552 ARG HN . 15986 1 140 . 1 1 37 37 ARG CA C 13 59.05 0.2 . 1 . . . . 552 ARG CA . 15986 1 141 . 1 1 37 37 ARG CB C 13 30.97 0.2 . 1 . . . . 552 ARG CB . 15986 1 142 . 1 1 37 37 ARG N N 15 118.56 0.1 . 1 . . . . 552 ARG N . 15986 1 143 . 1 1 38 38 TRP CA C 13 54.47 0.2 . 1 . . . . 553 TRP CA . 15986 1 144 . 1 1 38 38 TRP CB C 13 33.38 0.2 . 1 . . . . 553 TRP CB . 15986 1 145 . 1 1 39 39 LYS H H 1 8.432 0.01 . 1 . . . . 554 LYS HN . 15986 1 146 . 1 1 39 39 LYS CA C 13 55.7 0.2 . 1 . . . . 554 LYS CA . 15986 1 147 . 1 1 39 39 LYS CB C 13 37.75 0.2 . 1 . . . . 554 LYS CB . 15986 1 148 . 1 1 39 39 LYS N N 15 118.46 0.1 . 1 . . . . 554 LYS N . 15986 1 149 . 1 1 40 40 CYS H H 1 9.272 0.01 . 1 . . . . 555 CYS HN . 15986 1 150 . 1 1 40 40 CYS CA C 13 55.48 0.2 . 1 . . . . 555 CYS CA . 15986 1 151 . 1 1 40 40 CYS CB C 13 49.55 0.2 . 1 . . . . 555 CYS CB . 15986 1 152 . 1 1 40 40 CYS N N 15 119.77 0.1 . 1 . . . . 555 CYS N . 15986 1 153 . 1 1 41 41 ASP H H 1 9.363 0.01 . 1 . . . . 556 ASP HN . 15986 1 154 . 1 1 41 41 ASP CA C 13 55.74 0.2 . 1 . . . . 556 ASP CA . 15986 1 155 . 1 1 41 41 ASP CB C 13 43.78 0.2 . 1 . . . . 556 ASP CB . 15986 1 156 . 1 1 41 41 ASP N N 15 124.58 0.1 . 1 . . . . 556 ASP N . 15986 1 157 . 1 1 42 42 PRO CA C 13 63.27 0.2 . 1 . . . . 557 PRO CA . 15986 1 158 . 1 1 42 42 PRO CB C 13 33.98 0.2 . 1 . . . . 557 PRO CB . 15986 1 159 . 1 1 43 43 VAL H H 1 8.078 0.01 . 1 . . . . 558 VAL HN . 15986 1 160 . 1 1 43 43 VAL CA C 13 60.08 0.2 . 1 . . . . 558 VAL CA . 15986 1 161 . 1 1 43 43 VAL CB C 13 34.01 0.2 . 1 . . . . 558 VAL CB . 15986 1 162 . 1 1 43 43 VAL N N 15 122.21 0.1 . 1 . . . . 558 VAL N . 15986 1 163 . 1 1 44 44 ASP H H 1 8.844 0.01 . 1 . . . . 559 ASP HN . 15986 1 164 . 1 1 44 44 ASP CA C 13 56.07 0.2 . 1 . . . . 559 ASP CA . 15986 1 165 . 1 1 44 44 ASP CB C 13 40.69 0.2 . 1 . . . . 559 ASP CB . 15986 1 166 . 1 1 44 44 ASP N N 15 124.76 0.1 . 1 . . . . 559 ASP N . 15986 1 167 . 1 1 45 45 GLN H H 1 7.784 0.01 . 1 . . . . 560 GLN HN . 15986 1 168 . 1 1 45 45 GLN CA C 13 54.1 0.2 . 1 . . . . 560 GLN CA . 15986 1 169 . 1 1 45 45 GLN CB C 13 29.75 0.2 . 1 . . . . 560 GLN CB . 15986 1 170 . 1 1 45 45 GLN N N 15 121.12 0.1 . 1 . . . . 560 GLN N . 15986 1 171 . 1 1 46 46 CYS H H 1 9.511 0.01 . 1 . . . . 561 CYS HN . 15986 1 172 . 1 1 46 46 CYS CA C 13 56.66 0.2 . 1 . . . . 561 CYS CA . 15986 1 173 . 1 1 46 46 CYS CB C 13 45.27 0.2 . 1 . . . . 561 CYS CB . 15986 1 174 . 1 1 46 46 CYS N N 15 115.88 0.1 . 1 . . . . 561 CYS N . 15986 1 175 . 1 1 47 47 GLN H H 1 8.935 0.01 . 1 . . . . 562 GLN HN . 15986 1 176 . 1 1 47 47 GLN CA C 13 53.59 0.2 . 1 . . . . 562 GLN CA . 15986 1 177 . 1 1 47 47 GLN CB C 13 31.15 0.2 . 1 . . . . 562 GLN CB . 15986 1 178 . 1 1 47 47 GLN N N 15 123.18 0.1 . 1 . . . . 562 GLN N . 15986 1 179 . 1 1 48 48 ASP H H 1 8.08 0.01 . 1 . . . . 563 ASP HN . 15986 1 180 . 1 1 48 48 ASP CA C 13 53.69 0.2 . 1 . . . . 563 ASP CA . 15986 1 181 . 1 1 48 48 ASP CB C 13 42.14 0.2 . 1 . . . . 563 ASP CB . 15986 1 182 . 1 1 48 48 ASP N N 15 126.67 0.1 . 1 . . . . 563 ASP N . 15986 1 183 . 1 1 49 49 SER H H 1 7.769 0.01 . 1 . . . . 564 SER HN . 15986 1 184 . 1 1 49 49 SER CA C 13 60.41 0.2 . 1 . . . . 564 SER CA . 15986 1 185 . 1 1 49 49 SER CB C 13 63.07 0.2 . 1 . . . . 564 SER CB . 15986 1 186 . 1 1 49 49 SER N N 15 121.77 0.1 . 1 . . . . 564 SER N . 15986 1 187 . 1 1 50 50 GLU H H 1 8.723 0.01 . 1 . . . . 565 GLU HN . 15986 1 188 . 1 1 50 50 GLU CA C 13 58.82 0.2 . 1 . . . . 565 GLU CA . 15986 1 189 . 1 1 50 50 GLU CB C 13 30.46 0.2 . 1 . . . . 565 GLU CB . 15986 1 190 . 1 1 50 50 GLU N N 15 121.58 0.1 . 1 . . . . 565 GLU N . 15986 1 191 . 1 1 51 51 THR H H 1 7.639 0.01 . 1 . . . . 566 THR HN . 15986 1 192 . 1 1 51 51 THR CA C 13 61.29 0.2 . 1 . . . . 566 THR CA . 15986 1 193 . 1 1 51 51 THR CB C 13 70.62 0.2 . 1 . . . . 566 THR CB . 15986 1 194 . 1 1 51 51 THR N N 15 105.89 0.1 . 1 . . . . 566 THR N . 15986 1 195 . 1 1 52 52 GLY H H 1 8.052 0.01 . 1 . . . . 567 GLY HN . 15986 1 196 . 1 1 52 52 GLY CA C 13 45.52 0.2 . 1 . . . . 567 GLY CA . 15986 1 197 . 1 1 52 52 GLY N N 15 111.2 0.1 . 1 . . . . 567 GLY N . 15986 1 198 . 1 1 53 53 THR H H 1 7.471 0.01 . 1 . . . . 568 THR HN . 15986 1 199 . 1 1 53 53 THR CA C 13 63.42 0.2 . 1 . . . . 568 THR CA . 15986 1 200 . 1 1 53 53 THR CB C 13 69.46 0.2 . 1 . . . . 568 THR CB . 15986 1 201 . 1 1 53 53 THR N N 15 118.92 0.1 . 1 . . . . 568 THR N . 15986 1 202 . 1 1 54 54 PHE H H 1 8.137 0.01 . 1 . . . . 569 PHE HN . 15986 1 203 . 1 1 54 54 PHE CA C 13 58.02 0.2 . 1 . . . . 569 PHE CA . 15986 1 204 . 1 1 54 54 PHE CB C 13 40.76 0.2 . 1 . . . . 569 PHE CB . 15986 1 205 . 1 1 54 54 PHE N N 15 122.74 0.1 . 1 . . . . 569 PHE N . 15986 1 206 . 1 1 55 55 TYR H H 1 9.028 0.01 . 1 . . . . 570 TYR HN . 15986 1 207 . 1 1 55 55 TYR CA C 13 57.53 0.2 . 1 . . . . 570 TYR CA . 15986 1 208 . 1 1 55 55 TYR CB C 13 42.59 0.2 . 1 . . . . 570 TYR CB . 15986 1 209 . 1 1 55 55 TYR N N 15 121.56 0.1 . 1 . . . . 570 TYR N . 15986 1 210 . 1 1 56 56 GLN H H 1 9.277 0.01 . 1 . . . . 571 GLN HN . 15986 1 211 . 1 1 56 56 GLN CA C 13 52.42 0.2 . 1 . . . . 571 GLN CA . 15986 1 212 . 1 1 56 56 GLN CB C 13 29.22 0.2 . 1 . . . . 571 GLN CB . 15986 1 213 . 1 1 56 56 GLN N N 15 119.66 0.1 . 1 . . . . 571 GLN N . 15986 1 214 . 1 1 57 57 ILE H H 1 8.949 0.01 . 1 . . . . 572 ILE HN . 15986 1 215 . 1 1 57 57 ILE CA C 13 64.67 0.2 . 1 . . . . 572 ILE CA . 15986 1 216 . 1 1 57 57 ILE CB C 13 37.75 0.2 . 1 . . . . 572 ILE CB . 15986 1 217 . 1 1 57 57 ILE N N 15 121.35 0.1 . 1 . . . . 572 ILE N . 15986 1 218 . 1 1 58 58 GLY H H 1 8.786 0.01 . 1 . . . . 573 GLY HN . 15986 1 219 . 1 1 58 58 GLY CA C 13 44.32 0.2 . 1 . . . . 573 GLY CA . 15986 1 220 . 1 1 58 58 GLY N N 15 116.69 0.1 . 1 . . . . 573 GLY N . 15986 1 221 . 1 1 59 59 ASP H H 1 8.411 0.01 . 1 . . . . 574 ASP HN . 15986 1 222 . 1 1 59 59 ASP CA C 13 54.64 0.2 . 1 . . . . 574 ASP CA . 15986 1 223 . 1 1 59 59 ASP CB C 13 42.13 0.2 . 1 . . . . 574 ASP CB . 15986 1 224 . 1 1 59 59 ASP N N 15 121.82 0.1 . 1 . . . . 574 ASP N . 15986 1 225 . 1 1 60 60 SER H H 1 8.262 0.01 . 1 . . . . 575 SER HN . 15986 1 226 . 1 1 60 60 SER CA C 13 56.11 0.2 . 1 . . . . 575 SER CA . 15986 1 227 . 1 1 60 60 SER CB C 13 67.03 0.2 . 1 . . . . 575 SER CB . 15986 1 228 . 1 1 60 60 SER N N 15 111.75 0.1 . 1 . . . . 575 SER N . 15986 1 229 . 1 1 61 61 TRP H H 1 8.316 0.01 . 1 . . . . 576 TRP HN . 15986 1 230 . 1 1 61 61 TRP CA C 13 56.58 0.2 . 1 . . . . 576 TRP CA . 15986 1 231 . 1 1 61 61 TRP CB C 13 31.75 0.2 . 1 . . . . 576 TRP CB . 15986 1 232 . 1 1 61 61 TRP N N 15 122.05 0.1 . 1 . . . . 576 TRP N . 15986 1 233 . 1 1 62 62 GLU H H 1 8.519 0.01 . 1 . . . . 577 GLU HN . 15986 1 234 . 1 1 62 62 GLU CA C 13 54.62 0.2 . 1 . . . . 577 GLU CA . 15986 1 235 . 1 1 62 62 GLU CB C 13 33.14 0.2 . 1 . . . . 577 GLU CB . 15986 1 236 . 1 1 62 62 GLU N N 15 119.74 0.1 . 1 . . . . 577 GLU N . 15986 1 237 . 1 1 63 63 LYS H H 1 8.462 0.01 . 1 . . . . 578 LYS HN . 15986 1 238 . 1 1 63 63 LYS CA C 13 55.33 0.2 . 1 . . . . 578 LYS CA . 15986 1 239 . 1 1 63 63 LYS CB C 13 36.49 0.2 . 1 . . . . 578 LYS CB . 15986 1 240 . 1 1 63 63 LYS N N 15 120.1 0.1 . 1 . . . . 578 LYS N . 15986 1 241 . 1 1 64 64 TYR H H 1 8.973 0.01 . 1 . . . . 579 TYR HN . 15986 1 242 . 1 1 64 64 TYR CA C 13 57.2 0.2 . 1 . . . . 579 TYR CA . 15986 1 243 . 1 1 64 64 TYR CB C 13 40.24 0.2 . 1 . . . . 579 TYR CB . 15986 1 244 . 1 1 64 64 TYR N N 15 123.01 0.1 . 1 . . . . 579 TYR N . 15986 1 245 . 1 1 65 65 VAL H H 1 8.986 0.01 . 1 . . . . 580 VAL HN . 15986 1 246 . 1 1 65 65 VAL CA C 13 61.66 0.2 . 1 . . . . 580 VAL CA . 15986 1 247 . 1 1 65 65 VAL CB C 13 33.59 0.2 . 1 . . . . 580 VAL CB . 15986 1 248 . 1 1 65 65 VAL N N 15 124.19 0.1 . 1 . . . . 580 VAL N . 15986 1 249 . 1 1 66 66 HIS H H 1 9.516 0.01 . 1 . . . . 581 HIS HN . 15986 1 250 . 1 1 66 66 HIS CA C 13 56.95 0.2 . 1 . . . . 581 HIS CA . 15986 1 251 . 1 1 66 66 HIS CB C 13 28.76 0.2 . 1 . . . . 581 HIS CB . 15986 1 252 . 1 1 66 66 HIS N N 15 127.72 0.1 . 1 . . . . 581 HIS N . 15986 1 253 . 1 1 67 67 GLY H H 1 8.453 0.01 . 1 . . . . 582 GLY HN . 15986 1 254 . 1 1 67 67 GLY CA C 13 45.59 0.2 . 1 . . . . 582 GLY CA . 15986 1 255 . 1 1 67 67 GLY N N 15 103.05 0.1 . 1 . . . . 582 GLY N . 15986 1 256 . 1 1 68 68 VAL H H 1 7.899 0.01 . 1 . . . . 583 VAL HN . 15986 1 257 . 1 1 68 68 VAL CA C 13 61.79 0.2 . 1 . . . . 583 VAL CA . 15986 1 258 . 1 1 68 68 VAL CB C 13 33.98 0.2 . 1 . . . . 583 VAL CB . 15986 1 259 . 1 1 68 68 VAL N N 15 123.03 0.1 . 1 . . . . 583 VAL N . 15986 1 260 . 1 1 69 69 ARG H H 1 8.51 0.01 . 1 . . . . 584 ARG HN . 15986 1 261 . 1 1 69 69 ARG CA C 13 56.69 0.2 . 1 . . . . 584 ARG CA . 15986 1 262 . 1 1 69 69 ARG CB C 13 31.71 0.2 . 1 . . . . 584 ARG CB . 15986 1 263 . 1 1 69 69 ARG N N 15 127.55 0.1 . 1 . . . . 584 ARG N . 15986 1 264 . 1 1 70 70 TYR H H 1 9.454 0.01 . 1 . . . . 585 TYR HN . 15986 1 265 . 1 1 70 70 TYR CA C 13 56.7 0.2 . 1 . . . . 585 TYR CA . 15986 1 266 . 1 1 70 70 TYR CB C 13 42.01 0.2 . 1 . . . . 585 TYR CB . 15986 1 267 . 1 1 70 70 TYR N N 15 125.49 0.1 . 1 . . . . 585 TYR N . 15986 1 268 . 1 1 71 71 GLN H H 1 8.948 0.01 . 1 . . . . 586 GLN HN . 15986 1 269 . 1 1 71 71 GLN CA C 13 54.64 0.2 . 1 . . . . 586 GLN CA . 15986 1 270 . 1 1 71 71 GLN CB C 13 31.56 0.2 . 1 . . . . 586 GLN CB . 15986 1 271 . 1 1 71 71 GLN N N 15 119.25 0.1 . 1 . . . . 586 GLN N . 15986 1 272 . 1 1 72 72 CYS H H 1 9.213 0.01 . 1 . . . . 587 CYS HN . 15986 1 273 . 1 1 72 72 CYS CA C 13 54.69 0.2 . 1 . . . . 587 CYS CA . 15986 1 274 . 1 1 72 72 CYS CB C 13 45.44 0.2 . 1 . . . . 587 CYS CB . 15986 1 275 . 1 1 72 72 CYS N N 15 127.16 0.1 . 1 . . . . 587 CYS N . 15986 1 276 . 1 1 73 73 TYR H H 1 8.24 0.01 . 1 . . . . 588 TYR HN . 15986 1 277 . 1 1 73 73 TYR CA C 13 56.6 0.2 . 1 . . . . 588 TYR CA . 15986 1 278 . 1 1 73 73 TYR CB C 13 43 0.2 . 1 . . . . 588 TYR CB . 15986 1 279 . 1 1 73 73 TYR N N 15 120.42 0.1 . 1 . . . . 588 TYR N . 15986 1 280 . 1 1 74 74 CYS H H 1 7.698 0.01 . 1 . . . . 589 CYS HN . 15986 1 281 . 1 1 74 74 CYS CA C 13 54.03 0.2 . 1 . . . . 589 CYS CA . 15986 1 282 . 1 1 74 74 CYS CB C 13 38.41 0.2 . 1 . . . . 589 CYS CB . 15986 1 283 . 1 1 74 74 CYS N N 15 121.02 0.1 . 1 . . . . 589 CYS N . 15986 1 284 . 1 1 75 75 TYR H H 1 9.033 0.01 . 1 . . . . 590 TYR HN . 15986 1 285 . 1 1 75 75 TYR CA C 13 60.34 0.2 . 1 . . . . 590 TYR CA . 15986 1 286 . 1 1 75 75 TYR CB C 13 40.28 0.2 . 1 . . . . 590 TYR CB . 15986 1 287 . 1 1 75 75 TYR N N 15 128.71 0.1 . 1 . . . . 590 TYR N . 15986 1 288 . 1 1 76 76 GLY H H 1 9.097 0.01 . 1 . . . . 591 GLY HN . 15986 1 289 . 1 1 76 76 GLY CA C 13 48.08 0.2 . 1 . . . . 591 GLY CA . 15986 1 290 . 1 1 76 76 GLY N N 15 106.79 0.1 . 1 . . . . 591 GLY N . 15986 1 291 . 1 1 77 77 ARG H H 1 8.628 0.01 . 1 . . . . 592 ARG HN . 15986 1 292 . 1 1 77 77 ARG CA C 13 58.26 0.2 . 1 . . . . 592 ARG CA . 15986 1 293 . 1 1 77 77 ARG CB C 13 27.11 0.2 . 1 . . . . 592 ARG CB . 15986 1 294 . 1 1 77 77 ARG N N 15 121.87 0.1 . 1 . . . . 592 ARG N . 15986 1 295 . 1 1 78 78 GLY H H 1 9.885 0.01 . 1 . . . . 593 GLY HN . 15986 1 296 . 1 1 78 78 GLY CA C 13 45.31 0.2 . 1 . . . . 593 GLY CA . 15986 1 297 . 1 1 78 78 GLY N N 15 109.41 0.1 . 1 . . . . 593 GLY N . 15986 1 298 . 1 1 79 79 ILE H H 1 7.615 0.01 . 1 . . . . 594 ILE HN . 15986 1 299 . 1 1 79 79 ILE CA C 13 60.31 0.2 . 1 . . . . 594 ILE CA . 15986 1 300 . 1 1 79 79 ILE CB C 13 40.48 0.2 . 1 . . . . 594 ILE CB . 15986 1 301 . 1 1 79 79 ILE N N 15 113.31 0.1 . 1 . . . . 594 ILE N . 15986 1 302 . 1 1 80 80 GLY H H 1 9.683 0.01 . 1 . . . . 595 GLY HN . 15986 1 303 . 1 1 80 80 GLY CA C 13 49.46 0.2 . 1 . . . . 595 GLY CA . 15986 1 304 . 1 1 80 80 GLY N N 15 117.95 0.1 . 1 . . . . 595 GLY N . 15986 1 305 . 1 1 81 81 GLU H H 1 9.336 0.01 . 1 . . . . 596 GLU HN . 15986 1 306 . 1 1 81 81 GLU CA C 13 57.86 0.2 . 1 . . . . 596 GLU CA . 15986 1 307 . 1 1 81 81 GLU N N 15 121.04 0.1 . 1 . . . . 596 GLU N . 15986 1 308 . 1 1 82 82 TRP CA C 13 54.45 0.2 . 1 . . . . 597 TRP CA . 15986 1 309 . 1 1 82 82 TRP CB C 13 34.22 0.2 . 1 . . . . 597 TRP CB . 15986 1 310 . 1 1 83 83 HIS H H 1 8.444 0.01 . 1 . . . . 598 HIS HN . 15986 1 311 . 1 1 83 83 HIS CA C 13 55.23 0.2 . 1 . . . . 598 HIS CA . 15986 1 312 . 1 1 83 83 HIS N N 15 114.65 0.1 . 1 . . . . 598 HIS N . 15986 1 313 . 1 1 84 84 CYS CA C 13 55.49 0.2 . 1 . . . . 599 CYS CA . 15986 1 314 . 1 1 84 84 CYS CB C 13 49.56 0.2 . 1 . . . . 599 CYS CB . 15986 1 315 . 1 1 85 85 GLN H H 1 9.042 0.01 . 1 . . . . 600 GLN HN . 15986 1 316 . 1 1 85 85 GLN CA C 13 52.77 0.2 . 1 . . . . 600 GLN CA . 15986 1 317 . 1 1 85 85 GLN CB C 13 30.99 0.2 . 1 . . . . 600 GLN CB . 15986 1 318 . 1 1 85 85 GLN N N 15 120.47 0.1 . 1 . . . . 600 GLN N . 15986 1 319 . 1 1 86 86 PRO CA C 13 62.72 0.2 . 1 . . . . 601 PRO CA . 15986 1 320 . 1 1 86 86 PRO CB C 13 31.49 0.2 . 1 . . . . 601 PRO CB . 15986 1 321 . 1 1 87 87 LEU H H 1 8.399 0.01 . 1 . . . . 602 LEU HN . 15986 1 322 . 1 1 87 87 LEU CA C 13 54.76 0.2 . 1 . . . . 602 LEU CA . 15986 1 323 . 1 1 87 87 LEU CB C 13 43.09 0.2 . 1 . . . . 602 LEU CB . 15986 1 324 . 1 1 87 87 LEU N N 15 124.63 0.1 . 1 . . . . 602 LEU N . 15986 1 325 . 1 1 88 88 GLN H H 1 8.416 0.01 . 1 . . . . 603 GLN HN . 15986 1 326 . 1 1 88 88 GLN CA C 13 55.56 0.2 . 1 . . . . 603 GLN CA . 15986 1 327 . 1 1 88 88 GLN CB C 13 29.91 0.2 . 1 . . . . 603 GLN CB . 15986 1 328 . 1 1 88 88 GLN N N 15 122.35 0.1 . 1 . . . . 603 GLN N . 15986 1 329 . 1 1 89 89 THR H H 1 8.104 0.01 . 1 . . . . 604 THR HN . 15986 1 330 . 1 1 89 89 THR CA C 13 61.73 0.2 . 1 . . . . 604 THR CA . 15986 1 331 . 1 1 89 89 THR CB C 13 70.1 0.2 . 1 . . . . 604 THR CB . 15986 1 332 . 1 1 89 89 THR N N 15 115.72 0.1 . 1 . . . . 604 THR N . 15986 1 333 . 1 1 90 90 TYR H H 1 8.294 0.01 . 1 . . . . 605 TYR HN . 15986 1 334 . 1 1 90 90 TYR CA C 13 55.78 0.2 . 1 . . . . 605 TYR CA . 15986 1 335 . 1 1 90 90 TYR CB C 13 38.47 0.2 . 1 . . . . 605 TYR CB . 15986 1 336 . 1 1 90 90 TYR N N 15 123.31 0.1 . 1 . . . . 605 TYR N . 15986 1 337 . 1 1 91 91 PRO CA C 13 63.22 0.2 . 1 . . . . 606 PRO CA . 15986 1 338 . 1 1 91 91 PRO CB C 13 32.11 0.2 . 1 . . . . 606 PRO CB . 15986 1 339 . 1 1 92 92 SER H H 1 8.481 0.01 . 1 . . . . 607 SER HN . 15986 1 340 . 1 1 92 92 SER CA C 13 58.44 0.2 . 1 . . . . 607 SER CA . 15986 1 341 . 1 1 92 92 SER CB C 13 64.18 0.2 . 1 . . . . 607 SER CB . 15986 1 342 . 1 1 92 92 SER N N 15 116.82 0.1 . 1 . . . . 607 SER N . 15986 1 343 . 1 1 93 93 SER H H 1 8.025 0.01 . 1 . . . . 608 SER HN . 15986 1 344 . 1 1 93 93 SER CA C 13 60.1 0.2 . 1 . . . . 608 SER CA . 15986 1 345 . 1 1 93 93 SER CB C 13 64.75 0.2 . 1 . . . . 608 SER CB . 15986 1 346 . 1 1 93 93 SER N N 15 122.96 0.1 . 1 . . . . 608 SER N . 15986 1 stop_ save_