################################### # 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 51019 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name assigned_shift_nonphospho _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 2 '3D HNCO' . . . 51019 1 3 '3D HNCACB' . . . 51019 1 5 '3D HNCA' . . . 51019 1 6 '3D HN(CA)CO' . . . 51019 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 . . 51019 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 4 4 MET H H 1 8.37605 0.01 . 1 . . . . . 616 MET H . 51019 1 2 . 1 . 1 4 4 MET C C 13 174.7926 0.1 . 1 . . . . . 616 MET C . 51019 1 3 . 1 . 1 4 4 MET CA C 13 55.732 0.1 . 1 . . . . . 616 MET CA . 51019 1 4 . 1 . 1 4 4 MET CB C 13 32.992 0.1 . 1 . . . . . 616 MET CB . 51019 1 5 . 1 . 1 4 4 MET N N 15 120.68283 0.1 . 1 . . . . . 616 MET N . 51019 1 6 . 1 . 1 5 5 ILE H H 1 8.11486 0.01 . 1 . . . . . 617 ILE H . 51019 1 7 . 1 . 1 5 5 ILE C C 13 175.4971 0.1 . 1 . . . . . 617 ILE C . 51019 1 8 . 1 . 1 5 5 ILE CA C 13 60.852 0.1 . 1 . . . . . 617 ILE CA . 51019 1 9 . 1 . 1 5 5 ILE CB C 13 38.712 0.1 . 1 . . . . . 617 ILE CB . 51019 1 10 . 1 . 1 5 5 ILE N N 15 123.06357 0.1 . 1 . . . . . 617 ILE N . 51019 1 11 . 1 . 1 6 6 LYS H H 1 8.39713 0.01 . 1 . . . . . 618 LYS H . 51019 1 12 . 1 . 1 6 6 LYS C C 13 175.6559 0.1 . 1 . . . . . 618 LYS C . 51019 1 13 . 1 . 1 6 6 LYS CA C 13 54.212 0.1 . 1 . . . . . 618 LYS CA . 51019 1 14 . 1 . 1 6 6 LYS CB C 13 32.662 0.1 . 1 . . . . . 618 LYS CB . 51019 1 15 . 1 . 1 6 6 LYS N N 15 127.41982 0.1 . 1 . . . . . 618 LYS N . 51019 1 16 . 1 . 1 8 8 LYS H H 1 8.46142 0.01 . 1 . . . . . 620 LYS H . 51019 1 17 . 1 . 1 8 8 LYS C C 13 174.4983 0.1 . 1 . . . . . 620 LYS C . 51019 1 18 . 1 . 1 8 8 LYS CA C 13 56.712 0.1 . 1 . . . . . 620 LYS CA . 51019 1 19 . 1 . 1 8 8 LYS CB C 13 33.272 0.1 . 1 . . . . . 620 LYS CB . 51019 1 20 . 1 . 1 8 8 LYS N N 15 121.8662 0.1 . 1 . . . . . 620 LYS N . 51019 1 21 . 1 . 1 9 9 GLY H H 1 8.40243 0.01 . 1 . . . . . 621 GLY H . 51019 1 22 . 1 . 1 9 9 GLY C C 13 174.1157 0.1 . 1 . . . . . 621 GLY C . 51019 1 23 . 1 . 1 9 9 GLY CA C 13 45.402 0.1 . 1 . . . . . 621 GLY CA . 51019 1 24 . 1 . 1 9 9 GLY N N 15 110.01189 0.1 . 1 . . . . . 621 GLY N . 51019 1 25 . 1 . 1 10 10 ASP H H 1 8.25259 0.01 . 1 . . . . . 622 ASP H . 51019 1 26 . 1 . 1 10 10 ASP C C 13 177.6144 0.1 . 1 . . . . . 622 ASP C . 51019 1 27 . 1 . 1 10 10 ASP CA C 13 54.482 0.1 . 1 . . . . . 622 ASP CA . 51019 1 28 . 1 . 1 10 10 ASP CB C 13 41.482 0.1 . 1 . . . . . 622 ASP CB . 51019 1 29 . 1 . 1 10 10 ASP N N 15 120.52378 0.1 . 1 . . . . . 622 ASP N . 51019 1 30 . 1 . 1 11 11 LYS H H 1 8.23974 0.01 . 1 . . . . . 623 LYS H . 51019 1 31 . 1 . 1 11 11 LYS C C 13 175.1288 0.1 . 1 . . . . . 623 LYS C . 51019 1 32 . 1 . 1 11 11 LYS CA C 13 56.462 0.1 . 1 . . . . . 623 LYS CA . 51019 1 33 . 1 . 1 11 11 LYS CB C 13 33.112 0.1 . 1 . . . . . 623 LYS CB . 51019 1 34 . 1 . 1 11 11 LYS N N 15 121.10513 0.1 . 1 . . . . . 623 LYS N . 51019 1 35 . 1 . 1 12 12 GLN H H 1 8.4178 0.01 . 1 . . . . . 624 GLN H . 51019 1 36 . 1 . 1 12 12 GLN C C 13 174.9775 0.1 . 1 . . . . . 624 GLN C . 51019 1 37 . 1 . 1 12 12 GLN CA C 13 56.082 0.1 . 1 . . . . . 624 GLN CA . 51019 1 38 . 1 . 1 12 12 GLN CB C 13 29.412 0.1 . 1 . . . . . 624 GLN CB . 51019 1 39 . 1 . 1 12 12 GLN N N 15 121.98351 0.1 . 1 . . . . . 624 GLN N . 51019 1 40 . 1 . 1 13 13 VAL H H 1 8.12539 0.01 . 1 . . . . . 625 VAL H . 51019 1 41 . 1 . 1 13 13 VAL C C 13 175.4264 0.1 . 1 . . . . . 625 VAL C . 51019 1 42 . 1 . 1 13 13 VAL CA C 13 62.472 0.1 . 1 . . . . . 625 VAL CA . 51019 1 43 . 1 . 1 13 13 VAL CB C 13 32.952 0.1 . 1 . . . . . 625 VAL CB . 51019 1 44 . 1 . 1 13 13 VAL N N 15 121.26381 0.1 . 1 . . . . . 625 VAL N . 51019 1 45 . 1 . 1 15 15 TYR H H 1 8.20231 0.01 . 1 . . . . . 627 TYR H . 51019 1 46 . 1 . 1 15 15 TYR C C 13 175.1591 0.1 . 1 . . . . . 627 TYR C . 51019 1 47 . 1 . 1 15 15 TYR CA C 13 57.782 0.1 . 1 . . . . . 627 TYR CA . 51019 1 48 . 1 . 1 15 15 TYR CB C 13 38.912 0.1 . 1 . . . . . 627 TYR CB . 51019 1 49 . 1 . 1 15 15 TYR N N 15 121.33487 0.1 . 1 . . . . . 627 TYR N . 51019 1 50 . 1 . 1 16 16 LEU H H 1 8.0893 0.01 . 1 . . . . . 628 LEU H . 51019 1 51 . 1 . 1 16 16 LEU C C 13 176.0694 0.1 . 1 . . . . . 628 LEU C . 51019 1 52 . 1 . 1 16 16 LEU CA C 13 55.072 0.1 . 1 . . . . . 628 LEU CA . 51019 1 53 . 1 . 1 16 16 LEU CB C 13 42.872 0.1 . 1 . . . . . 628 LEU CB . 51019 1 54 . 1 . 1 16 16 LEU N N 15 124.13147 0.1 . 1 . . . . . 628 LEU N . 51019 1 55 . 1 . 1 17 17 ASP H H 1 8.26499 0.01 . 1 . . . . . 629 ASP H . 51019 1 56 . 1 . 1 17 17 ASP C C 13 175.0784 0.1 . 1 . . . . . 629 ASP C . 51019 1 57 . 1 . 1 17 17 ASP CA C 13 54.292 0.1 . 1 . . . . . 629 ASP CA . 51019 1 58 . 1 . 1 17 17 ASP CB C 13 41.042 0.1 . 1 . . . . . 629 ASP CB . 51019 1 59 . 1 . 1 17 17 ASP N N 15 121.47996 0.1 . 1 . . . . . 629 ASP N . 51019 1 60 . 1 . 1 18 18 LEU H H 1 8.0773 0.01 . 1 . . . . . 630 LEU H . 51019 1 61 . 1 . 1 18 18 LEU C C 13 175.351 0.1 . 1 . . . . . 630 LEU C . 51019 1 62 . 1 . 1 18 18 LEU CA C 13 55.502 0.1 . 1 . . . . . 630 LEU CA . 51019 1 63 . 1 . 1 18 18 LEU CB C 13 42.572 0.1 . 1 . . . . . 630 LEU CB . 51019 1 64 . 1 . 1 18 18 LEU N N 15 122.60769 0.1 . 1 . . . . . 630 LEU N . 51019 1 65 . 1 . 1 19 19 ASP H H 1 8.3549 0.01 . 1 . . . . . 631 ASP H . 51019 1 66 . 1 . 1 19 19 ASP C C 13 174.2665 0.1 . 1 . . . . . 631 ASP C . 51019 1 67 . 1 . 1 19 19 ASP CA C 13 55.802 0.1 . 1 . . . . . 631 ASP CA . 51019 1 68 . 1 . 1 19 19 ASP CB C 13 41.012 0.1 . 1 . . . . . 631 ASP CB . 51019 1 69 . 1 . 1 19 19 ASP N N 15 120.86076 0.1 . 1 . . . . . 631 ASP N . 51019 1 70 . 1 . 1 20 20 LEU H H 1 8.09192 0.01 . 1 . . . . . 632 LEU H . 51019 1 71 . 1 . 1 20 20 LEU C C 13 174.8639 0.1 . 1 . . . . . 632 LEU C . 51019 1 72 . 1 . 1 20 20 LEU CA C 13 55.802 0.1 . 1 . . . . . 632 LEU CA . 51019 1 73 . 1 . 1 20 20 LEU CB C 13 42.332 0.1 . 1 . . . . . 632 LEU CB . 51019 1 74 . 1 . 1 20 20 LEU N N 15 122.65984 0.1 . 1 . . . . . 632 LEU N . 51019 1 75 . 1 . 1 21 21 ASP H H 1 8.34187 0.01 . 1 . . . . . 633 ASP H . 51019 1 76 . 1 . 1 21 21 ASP C C 13 173.75 0.1 . 1 . . . . . 633 ASP C . 51019 1 77 . 1 . 1 21 21 ASP CA C 13 54.772 0.1 . 1 . . . . . 633 ASP CA . 51019 1 78 . 1 . 1 21 21 ASP CB C 13 41.392 0.1 . 1 . . . . . 633 ASP CB . 51019 1 79 . 1 . 1 21 21 ASP N N 15 120.45763 0.1 . 1 . . . . . 633 ASP N . 51019 1 80 . 1 . 1 22 22 SER H H 1 8.20513 0.01 . 1 . . . . . 634 SER H . 51019 1 81 . 1 . 1 22 22 SER C C 13 174.6874 0.1 . 1 . . . . . 634 SER C . 51019 1 82 . 1 . 1 22 22 SER CA C 13 59.352 0.1 . 1 . . . . . 634 SER CA . 51019 1 83 . 1 . 1 22 22 SER CB C 13 63.812 0.1 . 1 . . . . . 634 SER CB . 51019 1 84 . 1 . 1 22 22 SER N N 15 116.53664 0.1 . 1 . . . . . 634 SER N . 51019 1 85 . 1 . 1 23 23 GLY H H 1 8.49319 0.01 . 1 . . . . . 635 GLY H . 51019 1 86 . 1 . 1 23 23 GLY C C 13 175.8893 0.1 . 1 . . . . . 635 GLY C . 51019 1 87 . 1 . 1 23 23 GLY CA C 13 45.782 0.1 . 1 . . . . . 635 GLY CA . 51019 1 88 . 1 . 1 23 23 GLY N N 15 110.71629 0.1 . 1 . . . . . 635 GLY N . 51019 1 89 . 1 . 1 24 24 LYS H H 1 7.96082 0.1 . 1 . . . . . 636 LYS H . 51019 1 90 . 1 . 1 24 24 LYS C C 13 176.9639 0.01 . 1 . . . . . 636 LYS C . 51019 1 91 . 1 . 1 24 24 LYS CA C 13 56.472 0.1 . 1 . . . . . 636 LYS CA . 51019 1 92 . 1 . 1 24 24 LYS CB C 13 33.162 0.1 . 1 . . . . . 636 LYS CB . 51019 1 93 . 1 . 1 24 24 LYS N N 15 120.2471 0.1 . 1 . . . . . 636 LYS N . 51019 1 94 . 1 . 1 31 31 GLN H H 1 8.44861 0.01 . 1 . . . . . 643 GLN H . 51019 1 95 . 1 . 1 31 31 GLN C C 13 174.9827 0.1 . 1 . . . . . 643 GLN C . 51019 1 96 . 1 . 1 31 31 GLN CA C 13 55.902 0.1 . 1 . . . . . 643 GLN CA . 51019 1 97 . 1 . 1 31 31 GLN CB C 13 29.862 0.1 . 1 . . . . . 643 GLN CB . 51019 1 98 . 1 . 1 31 31 GLN N N 15 122.34944 0.1 . 1 . . . . . 643 GLN N . 51019 1 99 . 1 . 1 32 32 LYS H H 1 8.49672 0.01 . 1 . . . . . 644 LYS H . 51019 1 100 . 1 . 1 32 32 LYS C C 13 175.5275 0.1 . 1 . . . . . 644 LYS C . 51019 1 101 . 1 . 1 32 32 LYS CA C 13 56.632 0.1 . 1 . . . . . 644 LYS CA . 51019 1 102 . 1 . 1 32 32 LYS CB C 13 33.272 0.1 . 1 . . . . . 644 LYS CB . 51019 1 103 . 1 . 1 32 32 LYS N N 15 123.49258 0.1 . 1 . . . . . 644 LYS N . 51019 1 104 . 1 . 1 33 33 SER H H 1 8.45963 0.01 . 1 . . . . . 645 SER H . 51019 1 105 . 1 . 1 33 33 SER C C 13 174.7639 0.1 . 1 . . . . . 645 SER C . 51019 1 106 . 1 . 1 33 33 SER CA C 13 58.362 0.1 . 1 . . . . . 645 SER CA . 51019 1 107 . 1 . 1 33 33 SER CB C 13 64.072 0.1 . 1 . . . . . 645 SER CB . 51019 1 108 . 1 . 1 33 33 SER N N 15 117.5719 0.1 . 1 . . . . . 645 SER N . 51019 1 109 . 1 . 1 34 34 SER H H 1 8.4392 0.01 . 1 . . . . . 646 SER H . 51019 1 110 . 1 . 1 34 34 SER C C 13 176.8497 0.1 . 1 . . . . . 646 SER C . 51019 1 111 . 1 . 1 34 34 SER CA C 13 58.4793 0.1 . 1 . . . . . 646 SER CA . 51019 1 112 . 1 . 1 34 34 SER CB C 13 64.0833 0.1 . 1 . . . . . 646 SER CB . 51019 1 113 . 1 . 1 34 34 SER N N 15 118.1994 0.1 . 1 . . . . . 646 SER N . 51019 1 114 . 1 . 1 35 35 GLY H H 1 8.46551 0.01 . 1 . . . . . 647 GLY H . 51019 1 115 . 1 . 1 35 35 GLY C C 13 176.3774 0.1 . 1 . . . . . 647 GLY C . 51019 1 116 . 1 . 1 35 35 GLY CA C 13 45.502 0.1 . 1 . . . . . 647 GLY CA . 51019 1 117 . 1 . 1 35 35 GLY N N 15 110.84114 0.1 . 1 . . . . . 647 GLY N . 51019 1 118 . 1 . 1 36 36 SER H H 1 8.33245 0.01 . 1 . . . . . 648 SER H . 51019 1 119 . 1 . 1 36 36 SER C C 13 177.0883 0.1 . 1 . . . . . 648 SER C . 51019 1 120 . 1 . 1 36 36 SER CA C 13 58.692 0.1 . 1 . . . . . 648 SER CA . 51019 1 121 . 1 . 1 36 36 SER CB C 13 64.092 0.1 . 1 . . . . . 648 SER CB . 51019 1 122 . 1 . 1 36 36 SER N N 15 115.87206 0.1 . 1 . . . . . 648 SER N . 51019 1 123 . 1 . 1 37 37 GLY H H 1 8.52999 0.01 . 1 . . . . . 649 GLY H . 51019 1 124 . 1 . 1 37 37 GLY C C 13 176.2495 0.1 . 1 . . . . . 649 GLY C . 51019 1 125 . 1 . 1 37 37 GLY CA C 13 45.552 0.1 . 1 . . . . . 649 GLY CA . 51019 1 126 . 1 . 1 37 37 GLY N N 15 111.22532 0.1 . 1 . . . . . 649 GLY N . 51019 1 127 . 1 . 1 38 38 SER H H 1 8.229 0.01 . 1 . . . . . 650 SER H . 51019 1 128 . 1 . 1 38 38 SER C C 13 177.2167 0.1 . 1 . . . . . 650 SER C . 51019 1 129 . 1 . 1 38 38 SER CA C 13 58.4226 0.1 . 1 . . . . . 650 SER CA . 51019 1 130 . 1 . 1 38 38 SER CB C 13 60.0879 0.1 . 1 . . . . . 650 SER CB . 51019 1 131 . 1 . 1 38 38 SER N N 15 115.739 0.1 . 1 . . . . . 650 SER N . 51019 1 132 . 1 . 1 39 39 SER H H 1 8.3333 0.01 . 1 . . . . . 651 SER H . 51019 1 133 . 1 . 1 39 39 SER C C 13 177.3029 0.1 . 1 . . . . . 651 SER C . 51019 1 134 . 1 . 1 39 39 SER CA C 13 56.5696 0.1 . 1 . . . . . 651 SER CA . 51019 1 135 . 1 . 1 39 39 SER CB C 13 63.5836 0.1 . 1 . . . . . 651 SER CB . 51019 1 136 . 1 . 1 39 39 SER N N 15 118.922 0.1 . 1 . . . . . 651 SER N . 51019 1 137 . 1 . 1 40 40 VAL H H 1 8.15073 0.01 . 1 . . . . . 652 VAL H . 51019 1 138 . 1 . 1 40 40 VAL C C 13 175.4264 0.1 . 1 . . . . . 652 VAL C . 51019 1 139 . 1 . 1 40 40 VAL CA C 13 62.502 0.1 . 1 . . . . . 652 VAL CA . 51019 1 140 . 1 . 1 40 40 VAL CB C 13 32.862 0.1 . 1 . . . . . 652 VAL CB . 51019 1 141 . 1 . 1 40 40 VAL N N 15 121.53963 0.1 . 1 . . . . . 652 VAL N . 51019 1 142 . 1 . 1 41 41 ALA H H 1 8.30549 0.01 . 1 . . . . . 653 ALA H . 51019 1 143 . 1 . 1 41 41 ALA C C 13 175.4515 0.1 . 1 . . . . . 653 ALA C . 51019 1 144 . 1 . 1 41 41 ALA CA C 13 52.772 0.1 . 1 . . . . . 653 ALA CA . 51019 1 145 . 1 . 1 41 41 ALA CB C 13 19.402 0.1 . 1 . . . . . 653 ALA CB . 51019 1 146 . 1 . 1 41 41 ALA N N 15 127.22636 0.1 . 1 . . . . . 653 ALA N . 51019 1 147 . 1 . 1 42 42 ASP H H 1 8.18868 0.01 . 1 . . . . . 654 ASP H . 51019 1 148 . 1 . 1 42 42 ASP C C 13 174.0178 0.1 . 1 . . . . . 654 ASP C . 51019 1 149 . 1 . 1 42 42 ASP CA C 13 54.482 0.1 . 1 . . . . . 654 ASP CA . 51019 1 150 . 1 . 1 42 42 ASP CB C 13 41.312 0.1 . 1 . . . . . 654 ASP CB . 51019 1 151 . 1 . 1 42 42 ASP N N 15 119.75201 0.1 . 1 . . . . . 654 ASP N . 51019 1 152 . 1 . 1 43 43 GLU H H 1 8.30373 0.01 . 1 . . . . . 655 GLU H . 51019 1 153 . 1 . 1 43 43 GLU C C 13 175.2247 0.1 . 1 . . . . . 655 GLU C . 51019 1 154 . 1 . 1 43 43 GLU CA C 13 56.782 0.1 . 1 . . . . . 655 GLU CA . 51019 1 155 . 1 . 1 43 43 GLU CB C 13 30.362 0.1 . 1 . . . . . 655 GLU CB . 51019 1 156 . 1 . 1 43 43 GLU N N 15 121.5397 0.1 . 1 . . . . . 655 GLU N . 51019 1 157 . 1 . 1 44 44 ARG H H 1 8.32911 0.01 . 1 . . . . . 656 ARG H . 51019 1 158 . 1 . 1 44 44 ARG C C 13 175.0696 0.1 . 1 . . . . . 656 ARG C . 51019 1 159 . 1 . 1 44 44 ARG CA C 13 56.272 0.1 . 1 . . . . . 656 ARG CA . 51019 1 160 . 1 . 1 44 44 ARG CB C 13 30.832 0.1 . 1 . . . . . 656 ARG CB . 51019 1 161 . 1 . 1 44 44 ARG N N 15 122.14262 0.1 . 1 . . . . . 656 ARG N . 51019 1 162 . 1 . 1 45 45 VAL H H 1 8.12179 0.01 . 1 . . . . . 657 VAL H . 51019 1 163 . 1 . 1 45 45 VAL C C 13 175.1591 0.1 . 1 . . . . . 657 VAL C . 51019 1 164 . 1 . 1 45 45 VAL CA C 13 62.292 0.1 . 1 . . . . . 657 VAL CA . 51019 1 165 . 1 . 1 45 45 VAL CB C 13 33.052 0.1 . 1 . . . . . 657 VAL CB . 51019 1 166 . 1 . 1 45 45 VAL N N 15 121.02531 0.1 . 1 . . . . . 657 VAL N . 51019 1 167 . 1 . 1 46 46 ASP H H 1 8.33514 0.01 . 1 . . . . . 658 ASP H . 51019 1 168 . 1 . 1 46 46 ASP C C 13 175.8886 0.1 . 1 . . . . . 658 ASP C . 51019 1 169 . 1 . 1 46 46 ASP CA C 13 54.192 0.1 . 1 . . . . . 658 ASP CA . 51019 1 170 . 1 . 1 46 46 ASP CB C 13 41.302 0.1 . 1 . . . . . 658 ASP CB . 51019 1 171 . 1 . 1 46 46 ASP N N 15 123.40346 0.1 . 1 . . . . . 658 ASP N . 51019 1 172 . 1 . 1 47 47 TYR H H 1 7.94726 0.01 . 1 . . . . . 659 TYR H . 51019 1 173 . 1 . 1 47 47 TYR C C 13 175.8831 0.1 . 1 . . . . . 659 TYR C . 51019 1 174 . 1 . 1 47 47 TYR CA C 13 58.022 0.1 . 1 . . . . . 659 TYR CA . 51019 1 175 . 1 . 1 47 47 TYR CB C 13 39.032 0.1 . 1 . . . . . 659 TYR CB . 51019 1 176 . 1 . 1 47 47 TYR N N 15 120.4647 0.1 . 1 . . . . . 659 TYR N . 51019 1 177 . 1 . 1 48 48 VAL H H 1 8.01088 0.01 . 1 . . . . . 660 VAL H . 51019 1 178 . 1 . 1 48 48 VAL C C 13 176.1059 0.1 . 1 . . . . . 660 VAL C . 51019 1 179 . 1 . 1 48 48 VAL CA C 13 62.522 0.1 . 1 . . . . . 660 VAL CA . 51019 1 180 . 1 . 1 48 48 VAL CB C 13 33.002 0.1 . 1 . . . . . 660 VAL CB . 51019 1 181 . 1 . 1 48 48 VAL N N 15 122.74127 0.1 . 1 . . . . . 660 VAL N . 51019 1 182 . 1 . 1 49 49 VAL H H 1 8.16352 0.01 . 1 . . . . . 661 VAL H . 51019 1 183 . 1 . 1 49 49 VAL C C 13 175.7406 0.1 . 1 . . . . . 661 VAL C . 51019 1 184 . 1 . 1 49 49 VAL CA C 13 62.652 0.1 . 1 . . . . . 661 VAL CA . 51019 1 185 . 1 . 1 49 49 VAL CB C 13 32.762 0.1 . 1 . . . . . 661 VAL CB . 51019 1 186 . 1 . 1 49 49 VAL N N 15 124.98516 0.1 . 1 . . . . . 661 VAL N . 51019 1 187 . 1 . 1 50 50 VAL H H 1 8.21369 0.01 . 1 . . . . . 662 VAL H . 51019 1 188 . 1 . 1 50 50 VAL C C 13 175.1574 0.1 . 1 . . . . . 662 VAL C . 51019 1 189 . 1 . 1 50 50 VAL CA C 13 62.622 0.1 . 1 . . . . . 662 VAL CA . 51019 1 190 . 1 . 1 50 50 VAL CB C 13 32.932 0.1 . 1 . . . . . 662 VAL CB . 51019 1 191 . 1 . 1 50 50 VAL N N 15 124.63397 0.1 . 1 . . . . . 662 VAL N . 51019 1 192 . 1 . 1 51 51 ASP H H 1 8.38028 0.01 . 1 . . . . . 663 ASP H . 51019 1 193 . 1 . 1 51 51 ASP C C 13 175.5934 0.1 . 1 . . . . . 663 ASP C . 51019 1 194 . 1 . 1 51 51 ASP CA C 13 54.702 0.1 . 1 . . . . . 663 ASP CA . 51019 1 195 . 1 . 1 51 51 ASP CB C 13 41.282 0.1 . 1 . . . . . 663 ASP CB . 51019 1 196 . 1 . 1 51 51 ASP N N 15 124.12714 0.1 . 1 . . . . . 663 ASP N . 51019 1 197 . 1 . 1 52 52 GLN H H 1 8.45528 0.01 . 1 . . . . . 664 GLN H . 51019 1 198 . 1 . 1 52 52 GLN C C 13 174.7051 0.1 . 1 . . . . . 664 GLN C . 51019 1 199 . 1 . 1 52 52 GLN CA C 13 56.842 0.1 . 1 . . . . . 664 GLN CA . 51019 1 200 . 1 . 1 52 52 GLN CB C 13 29.222 0.1 . 1 . . . . . 664 GLN CB . 51019 1 201 . 1 . 1 52 52 GLN N N 15 121.35273 0.1 . 1 . . . . . 664 GLN N . 51019 1 202 . 1 . 1 53 53 GLN H H 1 8.41651 0.01 . 1 . . . . . 665 GLN H . 51019 1 203 . 1 . 1 53 53 GLN C C 13 174.85 0.1 . 1 . . . . . 665 GLN C . 51019 1 204 . 1 . 1 53 53 GLN CA C 13 56.922 0.1 . 1 . . . . . 665 GLN CA . 51019 1 205 . 1 . 1 53 53 GLN CB C 13 29.132 0.1 . 1 . . . . . 665 GLN CB . 51019 1 206 . 1 . 1 53 53 GLN N N 15 120.08089 0.1 . 1 . . . . . 665 GLN N . 51019 1 207 . 1 . 1 54 54 LYS H H 1 8.20588 0.01 . 1 . . . . . 666 LYS H . 51019 1 208 . 1 . 1 54 54 LYS C C 13 175.4668 0.1 . 1 . . . . . 666 LYS C . 51019 1 209 . 1 . 1 54 54 LYS CA C 13 57.232 0.1 . 1 . . . . . 666 LYS CA . 51019 1 210 . 1 . 1 54 54 LYS CB C 13 32.912 0.1 . 1 . . . . . 666 LYS CB . 51019 1 211 . 1 . 1 54 54 LYS N N 15 121.46146 0.1 . 1 . . . . . 666 LYS N . 51019 1 212 . 1 . 1 55 55 THR H H 1 8.04576 0.01 . 1 . . . . . 667 THR H . 51019 1 213 . 1 . 1 55 55 THR C C 13 174.3048 0.1 . 1 . . . . . 667 THR C . 51019 1 214 . 1 . 1 55 55 THR CA C 13 62.872 0.1 . 1 . . . . . 667 THR CA . 51019 1 215 . 1 . 1 55 55 THR CB C 13 69.752 0.1 . 1 . . . . . 667 THR CB . 51019 1 216 . 1 . 1 55 55 THR N N 15 115.10493 0.1 . 1 . . . . . 667 THR N . 51019 1 217 . 1 . 1 56 56 LEU H H 1 8.15403 0.01 . 1 . . . . . 668 LEU H . 51019 1 218 . 1 . 1 56 56 LEU C C 13 176.5991 0.1 . 1 . . . . . 668 LEU C . 51019 1 219 . 1 . 1 56 56 LEU CA C 13 55.752 0.1 . 1 . . . . . 668 LEU CA . 51019 1 220 . 1 . 1 56 56 LEU CB C 13 42.422 0.1 . 1 . . . . . 668 LEU CB . 51019 1 221 . 1 . 1 56 56 LEU N N 15 124.36509 0.1 . 1 . . . . . 668 LEU N . 51019 1 222 . 1 . 1 57 57 ALA H H 1 8.13917 0.01 . 1 . . . . . 669 ALA H . 51019 1 223 . 1 . 1 57 57 ALA C C 13 174.1394 0.1 . 1 . . . . . 669 ALA C . 51019 1 224 . 1 . 1 57 57 ALA CA C 13 52.772 0.1 . 1 . . . . . 669 ALA CA . 51019 1 225 . 1 . 1 57 57 ALA CB C 13 19.102 0.1 . 1 . . . . . 669 ALA CB . 51019 1 226 . 1 . 1 57 57 ALA N N 15 124.32787 0.1 . 1 . . . . . 669 ALA N . 51019 1 227 . 1 . 1 58 58 LEU H H 1 8.03686 0.01 . 1 . . . . . 670 LEU H . 51019 1 228 . 1 . 1 58 58 LEU C C 13 173.6358 0.1 . 1 . . . . . 670 LEU C . 51019 1 229 . 1 . 1 58 58 LEU CA C 13 55.472 0.1 . 1 . . . . . 670 LEU CA . 51019 1 230 . 1 . 1 58 58 LEU CB C 13 42.502 0.1 . 1 . . . . . 670 LEU CB . 51019 1 231 . 1 . 1 58 58 LEU N N 15 121.07618 0.1 . 1 . . . . . 670 LEU N . 51019 1 232 . 1 . 1 59 59 LYS H H 1 8.22275 0.01 . 1 . . . . . 671 LYS H . 51019 1 233 . 1 . 1 59 59 LYS C C 13 176.8804 0.1 . 1 . . . . . 671 LYS C . 51019 1 234 . 1 . 1 59 59 LYS CA C 13 56.742 0.1 . 1 . . . . . 671 LYS CA . 51019 1 235 . 1 . 1 59 59 LYS CB C 13 33.152 0.1 . 1 . . . . . 671 LYS CB . 51019 1 236 . 1 . 1 59 59 LYS N N 15 121.81074 0.1 . 1 . . . . . 671 LYS N . 51019 1 237 . 1 . 1 60 60 SER H H 1 8.29872 0.01 . 1 . . . . . 672 SER H . 51019 1 238 . 1 . 1 60 60 SER C C 13 174.6874 0.1 . 1 . . . . . 672 SER C . 51019 1 239 . 1 . 1 60 60 SER CA C 13 58.592 0.1 . 1 . . . . . 672 SER CA . 51019 1 240 . 1 . 1 60 60 SER CB C 13 63.932 0.1 . 1 . . . . . 672 SER CB . 51019 1 241 . 1 . 1 60 60 SER N N 15 116.34313 0.1 . 1 . . . . . 672 SER N . 51019 1 242 . 1 . 1 61 61 THR H H 1 8.14754 0.01 . 1 . . . . . 673 THR H . 51019 1 243 . 1 . 1 61 61 THR C C 13 176.457 0.1 . 1 . . . . . 673 THR C . 51019 1 244 . 1 . 1 61 61 THR CA C 13 62.252 0.1 . 1 . . . . . 673 THR CA . 51019 1 245 . 1 . 1 61 61 THR CB C 13 69.822 0.1 . 1 . . . . . 673 THR CB . 51019 1 246 . 1 . 1 61 61 THR N N 15 115.88251 0.1 . 1 . . . . . 673 THR N . 51019 1 247 . 1 . 1 62 62 ARG H H 1 8.24082 0.01 . 1 . . . . . 674 ARG H . 51019 1 248 . 1 . 1 62 62 ARG C C 13 176.8061 0.1 . 1 . . . . . 674 ARG C . 51019 1 249 . 1 . 1 62 62 ARG CA C 13 56.542 0.1 . 1 . . . . . 674 ARG CA . 51019 1 250 . 1 . 1 62 62 ARG CB C 13 30.872 0.1 . 1 . . . . . 674 ARG CB . 51019 1 251 . 1 . 1 62 62 ARG N N 15 122.71474 0.1 . 1 . . . . . 674 ARG N . 51019 1 252 . 1 . 1 63 63 GLU H H 1 8.35331 0.01 . 1 . . . . . 675 GLU H . 51019 1 253 . 1 . 1 63 63 GLU C C 13 175.0431 0.1 . 1 . . . . . 675 GLU C . 51019 1 254 . 1 . 1 63 63 GLU CA C 13 56.782 0.1 . 1 . . . . . 675 GLU CA . 51019 1 255 . 1 . 1 63 63 GLU CB C 13 30.212 0.1 . 1 . . . . . 675 GLU CB . 51019 1 256 . 1 . 1 63 63 GLU N N 15 121.82808 0.1 . 1 . . . . . 675 GLU N . 51019 1 257 . 1 . 1 64 64 ALA H H 1 8.21377 0.01 . 1 . . . . . 676 ALA H . 51019 1 258 . 1 . 1 64 64 ALA C C 13 175.2059 0.1 . 1 . . . . . 676 ALA C . 51019 1 259 . 1 . 1 64 64 ALA CA C 13 52.722 0.1 . 1 . . . . . 676 ALA CA . 51019 1 260 . 1 . 1 64 64 ALA CB C 13 19.282 0.1 . 1 . . . . . 676 ALA CB . 51019 1 261 . 1 . 1 64 64 ALA N N 15 124.39381 0.1 . 1 . . . . . 676 ALA N . 51019 1 262 . 1 . 1 65 65 TRP H H 1 8.07281 0.01 . 1 . . . . . 677 TRP H . 51019 1 263 . 1 . 1 65 65 TRP C C 13 174.0274 0.1 . 1 . . . . . 677 TRP C . 51019 1 264 . 1 . 1 65 65 TRP CA C 13 57.522 0.1 . 1 . . . . . 677 TRP CA . 51019 1 265 . 1 . 1 65 65 TRP CB C 13 29.702 0.1 . 1 . . . . . 677 TRP CB . 51019 1 266 . 1 . 1 65 65 TRP N N 15 120.234 0.1 . 1 . . . . . 677 TRP N . 51019 1 267 . 1 . 1 66 66 THR H H 1 7.8854 0.01 . 1 . . . . . 678 THR H . 51019 1 268 . 1 . 1 66 66 THR C C 13 174.85 0.1 . 1 . . . . . 678 THR C . 51019 1 269 . 1 . 1 66 66 THR CA C 13 61.792 0.1 . 1 . . . . . 678 THR CA . 51019 1 270 . 1 . 1 66 66 THR CB C 13 70.172 0.1 . 1 . . . . . 678 THR CB . 51019 1 271 . 1 . 1 66 66 THR N N 15 115.63326 0.1 . 1 . . . . . 678 THR N . 51019 1 272 . 1 . 1 67 67 ASP H H 1 8.13847 0.01 . 1 . . . . . 679 ASP H . 51019 1 273 . 1 . 1 67 67 ASP C C 13 177.516 0.1 . 1 . . . . . 679 ASP C . 51019 1 274 . 1 . 1 67 67 ASP CA C 13 54.492 0.1 . 1 . . . . . 679 ASP CA . 51019 1 275 . 1 . 1 67 67 ASP CB C 13 41.222 0.1 . 1 . . . . . 679 ASP CB . 51019 1 276 . 1 . 1 67 67 ASP N N 15 122.1777 0.1 . 1 . . . . . 679 ASP N . 51019 1 277 . 1 . 1 68 68 GLY H H 1 8.31498 0.01 . 1 . . . . . 680 GLY H . 51019 1 278 . 1 . 1 68 68 GLY C C 13 174.5638 0.1 . 1 . . . . . 680 GLY C . 51019 1 279 . 1 . 1 68 68 GLY CA C 13 45.702 0.1 . 1 . . . . . 680 GLY CA . 51019 1 280 . 1 . 1 68 68 GLY N N 15 109.19793 0.1 . 1 . . . . . 680 GLY N . 51019 1 281 . 1 . 1 69 69 ARG H H 1 8.04283 0.01 . 1 . . . . . 681 ARG H . 51019 1 282 . 1 . 1 69 69 ARG C C 13 176.9161 0.1 . 1 . . . . . 681 ARG C . 51019 1 283 . 1 . 1 69 69 ARG CA C 13 56.462 0.1 . 1 . . . . . 681 ARG CA . 51019 1 284 . 1 . 1 69 69 ARG CB C 13 30.842 0.1 . 1 . . . . . 681 ARG CB . 51019 1 285 . 1 . 1 69 69 ARG N N 15 120.36172 0.1 . 1 . . . . . 681 ARG N . 51019 1 286 . 1 . 1 70 70 GLN H H 1 8.42207 0.01 . 1 . . . . . 682 GLN H . 51019 1 287 . 1 . 1 70 70 GLN C C 13 175.0734 0.1 . 1 . . . . . 682 GLN C . 51019 1 288 . 1 . 1 70 70 GLN CA C 13 55.992 0.1 . 1 . . . . . 682 GLN CA . 51019 1 289 . 1 . 1 70 70 GLN CB C 13 29.582 0.1 . 1 . . . . . 682 GLN CB . 51019 1 290 . 1 . 1 70 70 GLN N N 15 121.33084 0.1 . 1 . . . . . 682 GLN N . 51019 1 291 . 1 . 1 71 71 SER H H 1 8.39157 0.01 . 1 . . . . . 683 SER H . 51019 1 292 . 1 . 1 71 71 SER C C 13 175.3474 0.1 . 1 . . . . . 683 SER C . 51019 1 293 . 1 . 1 71 71 SER CA C 13 58.482 0.1 . 1 . . . . . 683 SER CA . 51019 1 294 . 1 . 1 71 71 SER CB C 13 63.962 0.1 . 1 . . . . . 683 SER CB . 51019 1 295 . 1 . 1 71 71 SER N N 15 117.37 0.1 . 1 . . . . . 683 SER N . 51019 1 296 . 1 . 1 72 72 THR H H 1 8.23421 0.01 . 1 . . . . . 684 THR H . 51019 1 297 . 1 . 1 72 72 THR C C 13 176.5239 0.1 . 1 . . . . . 684 THR C . 51019 1 298 . 1 . 1 72 72 THR CA C 13 62.132 0.1 . 1 . . . . . 684 THR CA . 51019 1 299 . 1 . 1 72 72 THR CB C 13 69.782 0.1 . 1 . . . . . 684 THR CB . 51019 1 300 . 1 . 1 72 72 THR N N 15 115.61118 0.1 . 1 . . . . . 684 THR N . 51019 1 301 . 1 . 1 73 73 GLU H H 1 8.41638 0.01 . 1 . . . . . 685 GLU H . 51019 1 302 . 1 . 1 73 73 GLU C C 13 176.6234 0.1 . 1 . . . . . 685 GLU C . 51019 1 303 . 1 . 1 73 73 GLU CA C 13 56.872 0.1 . 1 . . . . . 685 GLU CA . 51019 1 304 . 1 . 1 73 73 GLU CB C 13 30.352 0.1 . 1 . . . . . 685 GLU CB . 51019 1 305 . 1 . 1 73 73 GLU N N 15 122.95326 0.1 . 1 . . . . . 685 GLU N . 51019 1 306 . 1 . 1 74 74 SER H H 1 8.29221 0.01 . 1 . . . . . 686 SER H . 51019 1 307 . 1 . 1 74 74 SER C C 13 175.0796 0.1 . 1 . . . . . 686 SER C . 51019 1 308 . 1 . 1 74 74 SER CA C 13 58.602 0.1 . 1 . . . . . 686 SER CA . 51019 1 309 . 1 . 1 74 74 SER CB C 13 64.042 0.1 . 1 . . . . . 686 SER CB . 51019 1 310 . 1 . 1 74 74 SER N N 15 116.49805 0.1 . 1 . . . . . 686 SER N . 51019 1 311 . 1 . 1 75 75 GLU H H 1 8.38083 0.01 . 1 . . . . . 687 GLU H . 51019 1 312 . 1 . 1 75 75 GLU C C 13 177.0496 0.1 . 1 . . . . . 687 GLU C . 51019 1 313 . 1 . 1 75 75 GLU CA C 13 56.602 0.1 . 1 . . . . . 687 GLU CA . 51019 1 314 . 1 . 1 75 75 GLU CB C 13 30.512 0.1 . 1 . . . . . 687 GLU CB . 51019 1 315 . 1 . 1 75 75 GLU N N 15 122.8087 0.1 . 1 . . . . . 687 GLU N . 51019 1 316 . 1 . 1 76 76 THR H H 1 8.26482 0.01 . 1 . . . . . 688 THR H . 51019 1 317 . 1 . 1 76 76 THR C C 13 175.089 0.1 . 1 . . . . . 688 THR C . 51019 1 318 . 1 . 1 76 76 THR CA C 13 60.022 0.1 . 1 . . . . . 688 THR CA . 51019 1 319 . 1 . 1 76 76 THR CB C 13 69.952 0.1 . 1 . . . . . 688 THR CB . 51019 1 320 . 1 . 1 76 76 THR N N 15 118.12543 0.1 . 1 . . . . . 688 THR N . 51019 1 321 . 1 . 1 78 78 ALA H H 1 8.3804 0.01 . 1 . . . . . 690 ALA H . 51019 1 322 . 1 . 1 78 78 ALA C C 13 174.7703 0.1 . 1 . . . . . 690 ALA C . 51019 1 323 . 1 . 1 78 78 ALA CA C 13 52.652 0.1 . 1 . . . . . 690 ALA CA . 51019 1 324 . 1 . 1 78 78 ALA CB C 13 19.272 0.1 . 1 . . . . . 690 ALA CB . 51019 1 325 . 1 . 1 78 78 ALA N N 15 124.51982 0.1 . 1 . . . . . 690 ALA N . 51019 1 326 . 1 . 1 79 79 LYS H H 1 8.2689 0.01 . 1 . . . . . 691 LYS H . 51019 1 327 . 1 . 1 79 79 LYS C C 13 177.7022 0.1 . 1 . . . . . 691 LYS C . 51019 1 328 . 1 . 1 79 79 LYS CA C 13 56.262 0.1 . 1 . . . . . 691 LYS CA . 51019 1 329 . 1 . 1 79 79 LYS CB C 13 33.372 0.1 . 1 . . . . . 691 LYS CB . 51019 1 330 . 1 . 1 79 79 LYS N N 15 120.6048 0.1 . 1 . . . . . 691 LYS N . 51019 1 331 . 1 . 1 80 80 SER H H 1 8.317 0.01 . 1 . . . . . 692 SER H . 51019 1 332 . 1 . 1 80 80 SER C C 13 174.9092 0.1 . 1 . . . . . 692 SER C . 51019 1 333 . 1 . 1 80 80 SER CA C 13 55.6705 0.1 . 1 . . . . . 692 SER CA . 51019 1 334 . 1 . 1 80 80 SER CB C 13 61.3718 0.1 . 1 . . . . . 692 SER CB . 51019 1 335 . 1 . 1 80 80 SER N N 15 117.445 0.1 . 1 . . . . . 692 SER N . 51019 1 336 . 1 . 1 82 82 LYS H H 1 7.92783 0.01 . 1 . . . . . 694 LYS H . 51019 1 337 . 1 . 1 82 82 LYS C C 13 176.2519 0.1 . 1 . . . . . 694 LYS C . 51019 1 338 . 1 . 1 82 82 LYS CA C 13 57.862 0.1 . 1 . . . . . 694 LYS CA . 51019 1 339 . 1 . 1 82 82 LYS CB C 13 33.912 0.1 . 1 . . . . . 694 LYS CB . 51019 1 340 . 1 . 1 82 82 LYS N N 15 129.70845 0.1 . 1 . . . . . 694 LYS N . 51019 1 stop_ save_