################################### # 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 52033 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name assigned_chemical_shifts _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 '3D HNCO' . . . 52033 1 2 '3D HNCACB' . . . 52033 1 3 '3D HN(CA)CO' . . . 52033 1 4 '2D 1H-15N HSQC' . . . 52033 1 5 '3D HN(CO)CACB' . . . 52033 1 6 '3D C(CO)NH' . . . 52033 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 . . 52033 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 1 1 MET H H 1 8.273 0.020 . 1 . . . . . 533 MET H . 52033 1 2 . 1 . 1 1 1 MET C C 13 176.408 0.3 . 1 . . . . . 533 MET C . 52033 1 3 . 1 . 1 1 1 MET CA C 13 55.511 0.3 . 1 . . . . . 533 MET CA . 52033 1 4 . 1 . 1 1 1 MET N N 15 120.042 0.3 . 1 . . . . . 533 MET N . 52033 1 5 . 1 . 1 2 2 MET H H 1 8.337 0.020 . 1 . . . . . 534 MET H . 52033 1 6 . 1 . 1 2 2 MET C C 13 176.057 0.3 . 1 . . . . . 534 MET C . 52033 1 7 . 1 . 1 2 2 MET CA C 13 55.243 0.3 . 1 . . . . . 534 MET CA . 52033 1 8 . 1 . 1 2 2 MET N N 15 122.092 0.3 . 1 . . . . . 534 MET N . 52033 1 9 . 1 . 1 3 3 SER H H 1 8.091 0.020 . 1 . . . . . 535 SER H . 52033 1 10 . 1 . 1 3 3 SER CA C 13 57.991 0.3 . 1 . . . . . 535 SER CA . 52033 1 11 . 1 . 1 3 3 SER N N 15 117.308 0.3 . 1 . . . . . 535 SER N . 52033 1 12 . 1 . 1 4 4 ALA H H 1 8.191 0.020 . 1 . . . . . 536 ALA H . 52033 1 13 . 1 . 1 4 4 ALA C C 13 175.533 0.3 . 1 . . . . . 536 ALA C . 52033 1 14 . 1 . 1 4 4 ALA CA C 13 50.485 0.3 . 1 . . . . . 536 ALA CA . 52033 1 15 . 1 . 1 4 4 ALA N N 15 126.946 0.3 . 1 . . . . . 536 ALA N . 52033 1 16 . 1 . 1 6 6 GLY H H 1 8.355 0.020 . 1 . . . . . 538 GLY H . 52033 1 17 . 1 . 1 6 6 GLY C C 13 174.263 0.3 . 1 . . . . . 538 GLY C . 52033 1 18 . 1 . 1 6 6 GLY CA C 13 44.924 0.3 . 1 . . . . . 538 GLY CA . 52033 1 19 . 1 . 1 6 6 GLY N N 15 109.584 0.3 . 1 . . . . . 538 GLY N . 52033 1 20 . 1 . 1 8 8 LYS H H 1 8.273 0.020 . 1 . . . . . 540 LYS H . 52033 1 21 . 1 . 1 8 8 LYS C C 13 176.770 0.3 . 1 . . . . . 540 LYS C . 52033 1 22 . 1 . 1 8 8 LYS CA C 13 56.315 0.3 . 1 . . . . . 540 LYS CA . 52033 1 23 . 1 . 1 8 8 LYS N N 15 123.118 0.3 . 1 . . . . . 540 LYS N . 52033 1 24 . 1 . 1 9 9 SER H H 1 8.103 0.020 . 1 . . . . . 541 SER H . 52033 1 25 . 1 . 1 9 9 SER CA C 13 58.326 0.3 . 1 . . . . . 541 SER CA . 52033 1 26 . 1 . 1 9 9 SER N N 15 116.419 0.3 . 1 . . . . . 541 SER N . 52033 1 27 . 1 . 1 11 11 SER H H 1 7.927 0.020 . 1 . . . . . 543 SER H . 52033 1 28 . 1 . 1 11 11 SER C C 13 174.597 0.3 . 1 . . . . . 543 SER C . 52033 1 29 . 1 . 1 11 11 SER CA C 13 58.326 0.3 . 1 . . . . . 543 SER CA . 52033 1 30 . 1 . 1 11 11 SER N N 15 115.762 0.3 . 1 . . . . . 543 SER N . 52033 1 31 . 1 . 1 12 12 LYS H H 1 8.079 0.020 . 1 . . . . . 544 LYS H . 52033 1 32 . 1 . 1 12 12 LYS C C 13 176.586 0.3 . 1 . . . . . 544 LYS C . 52033 1 33 . 1 . 1 12 12 LYS CA C 13 56.248 0.3 . 1 . . . . . 544 LYS CA . 52033 1 34 . 1 . 1 12 12 LYS N N 15 122.844 0.3 . 1 . . . . . 544 LYS N . 52033 1 35 . 1 . 1 13 13 LYS H H 1 8.109 0.020 . 1 . . . . . 545 LYS H . 52033 1 36 . 1 . 1 13 13 LYS C C 13 177.010 0.3 . 1 . . . . . 545 LYS C . 52033 1 37 . 1 . 1 13 13 LYS CA C 13 56.315 0.3 . 1 . . . . . 545 LYS CA . 52033 1 38 . 1 . 1 13 13 LYS N N 15 122.503 0.3 . 1 . . . . . 545 LYS N . 52033 1 39 . 1 . 1 14 14 GLY H H 1 8.188 0.020 . 1 . . . . . 546 GLY H . 52033 1 40 . 1 . 1 14 14 GLY C C 13 174.268 0.3 . 1 . . . . . 546 GLY C . 52033 1 41 . 1 . 1 14 14 GLY CA C 13 44.924 0.3 . 1 . . . . . 546 GLY CA . 52033 1 42 . 1 . 1 14 14 GLY N N 15 110.122 0.3 . 1 . . . . . 546 GLY N . 52033 1 43 . 1 . 1 16 16 PHE H H 1 8.003 0.020 . 1 . . . . . 548 PHE H . 52033 1 44 . 1 . 1 16 16 PHE C C 13 176.386 0.3 . 1 . . . . . 548 PHE C . 52033 1 45 . 1 . 1 16 16 PHE CA C 13 57.856 0.3 . 1 . . . . . 548 PHE CA . 52033 1 46 . 1 . 1 16 16 PHE N N 15 119.632 0.3 . 1 . . . . . 548 PHE N . 52033 1 47 . 1 . 1 18 18 LYS H H 1 7.953 0.020 . 1 . . . . . 550 LYS H . 52033 1 48 . 1 . 1 18 18 LYS C C 13 176.369 0.3 . 1 . . . . . 550 LYS C . 52033 1 49 . 1 . 1 18 18 LYS CA C 13 56.248 0.3 . 1 . . . . . 550 LYS CA . 52033 1 50 . 1 . 1 18 18 LYS N N 15 120.560 0.3 . 1 . . . . . 550 LYS N . 52033 1 51 . 1 . 1 19 19 ASN H H 1 8.285 0.020 . 1 . . . . . 551 ASN H . 52033 1 52 . 1 . 1 19 19 ASN C C 13 174.759 0.3 . 1 . . . . . 551 ASN C . 52033 1 53 . 1 . 1 19 19 ASN CA C 13 53.032 0.3 . 1 . . . . . 551 ASN CA . 52033 1 54 . 1 . 1 19 19 ASN N N 15 119.017 0.3 . 1 . . . . . 551 ASN N . 52033 1 55 . 1 . 1 20 20 ASN H H 1 8.152 0.020 . 1 . . . . . 552 ASN H . 52033 1 56 . 1 . 1 20 20 ASN C C 13 174.803 0.3 . 1 . . . . . 552 ASN C . 52033 1 57 . 1 . 1 20 20 ASN CA C 13 53.099 0.3 . 1 . . . . . 552 ASN CA . 52033 1 58 . 1 . 1 20 20 ASN N N 15 119.097 0.3 . 1 . . . . . 552 ASN N . 52033 1 59 . 1 . 1 21 21 ASN H H 1 8.144 0.020 . 1 . . . . . 553 ASN H . 52033 1 60 . 1 . 1 21 21 ASN C C 13 175.416 0.3 . 1 . . . . . 553 ASN C . 52033 1 61 . 1 . 1 21 21 ASN CA C 13 53.300 0.3 . 1 . . . . . 553 ASN CA . 52033 1 62 . 1 . 1 21 21 ASN N N 15 118.880 0.3 . 1 . . . . . 553 ASN N . 52033 1 63 . 1 . 1 22 22 LYS H H 1 8.079 0.020 . 1 . . . . . 554 LYS H . 52033 1 64 . 1 . 1 22 22 LYS C C 13 176.074 0.3 . 1 . . . . . 554 LYS C . 52033 1 65 . 1 . 1 22 22 LYS CA C 13 56.583 0.3 . 1 . . . . . 554 LYS CA . 52033 1 66 . 1 . 1 22 22 LYS N N 15 121.341 0.3 . 1 . . . . . 554 LYS N . 52033 1 67 . 1 . 1 23 23 ASP H H 1 8.004 0.020 . 1 . . . . . 555 ASP H . 52033 1 68 . 1 . 1 23 23 ASP C C 13 175.912 0.3 . 1 . . . . . 555 ASP C . 52033 1 69 . 1 . 1 23 23 ASP CA C 13 54.104 0.3 . 1 . . . . . 555 ASP CA . 52033 1 70 . 1 . 1 23 23 ASP N N 15 120.360 0.3 . 1 . . . . . 555 ASP N . 52033 1 71 . 1 . 1 24 24 TYR H H 1 7.768 0.020 . 1 . . . . . 556 TYR H . 52033 1 72 . 1 . 1 24 24 TYR C C 13 175.684 0.3 . 1 . . . . . 556 TYR C . 52033 1 73 . 1 . 1 24 24 TYR CA C 13 58.259 0.3 . 1 . . . . . 556 TYR CA . 52033 1 74 . 1 . 1 24 24 TYR N N 15 121.067 0.3 . 1 . . . . . 556 TYR N . 52033 1 75 . 1 . 1 25 25 LYS H H 1 7.850 0.020 . 1 . . . . . 557 LYS H . 52033 1 76 . 1 . 1 25 25 LYS C C 13 176.129 0.3 . 1 . . . . . 557 LYS C . 52033 1 77 . 1 . 1 25 25 LYS CA C 13 56.114 0.3 . 1 . . . . . 557 LYS CA . 52033 1 78 . 1 . 1 25 25 LYS N N 15 122.913 0.3 . 1 . . . . . 557 LYS N . 52033 1 79 . 1 . 1 26 26 LYS H H 1 7.880 0.020 . 1 . . . . . 558 LYS H . 52033 1 80 . 1 . 1 26 26 LYS C C 13 176.313 0.3 . 1 . . . . . 558 LYS C . 52033 1 81 . 1 . 1 26 26 LYS CA C 13 56.248 0.3 . 1 . . . . . 558 LYS CA . 52033 1 82 . 1 . 1 26 26 LYS N N 15 122.366 0.3 . 1 . . . . . 558 LYS N . 52033 1 83 . 1 . 1 27 27 ALA H H 1 8.120 0.020 . 1 . . . . . 559 ALA H . 52033 1 84 . 1 . 1 27 27 ALA C C 13 178.079 0.3 . 1 . . . . . 559 ALA C . 52033 1 85 . 1 . 1 27 27 ALA CA C 13 52.496 0.3 . 1 . . . . . 559 ALA CA . 52033 1 86 . 1 . 1 27 27 ALA N N 15 125.510 0.3 . 1 . . . . . 559 ALA N . 52033 1 87 . 1 . 1 28 28 GLY H H 1 8.156 0.020 . 1 . . . . . 560 GLY H . 52033 1 88 . 1 . 1 28 28 GLY C C 13 174.564 0.3 . 1 . . . . . 560 GLY C . 52033 1 89 . 1 . 1 28 28 GLY CA C 13 44.991 0.3 . 1 . . . . . 560 GLY CA . 52033 1 90 . 1 . 1 28 28 GLY N N 15 108.422 0.3 . 1 . . . . . 560 GLY N . 52033 1 91 . 1 . 1 30 30 ALA H H 1 8.062 0.020 . 1 . . . . . 562 ALA H . 52033 1 92 . 1 . 1 30 30 ALA C C 13 177.996 0.3 . 1 . . . . . 562 ALA C . 52033 1 93 . 1 . 1 30 30 ALA CA C 13 52.496 0.3 . 1 . . . . . 562 ALA CA . 52033 1 94 . 1 . 1 30 30 ALA N N 15 123.665 0.3 . 1 . . . . . 562 ALA N . 52033 1 95 . 1 . 1 31 31 SER H H 1 8.091 0.020 . 1 . . . . . 563 SER H . 52033 1 96 . 1 . 1 31 31 SER CA C 13 58.192 0.3 . 1 . . . . . 563 SER CA . 52033 1 97 . 1 . 1 31 31 SER N N 15 114.847 0.3 . 1 . . . . . 563 SER N . 52033 1 98 . 1 . 1 32 32 ALA H H 1 8.085 0.020 . 1 . . . . . 564 ALA H . 52033 1 99 . 1 . 1 32 32 ALA C C 13 178.029 0.3 . 1 . . . . . 564 ALA C . 52033 1 100 . 1 . 1 32 32 ALA CA C 13 52.563 0.3 . 1 . . . . . 564 ALA CA . 52033 1 101 . 1 . 1 32 32 ALA N N 15 125.784 0.3 . 1 . . . . . 564 ALA N . 52033 1 102 . 1 . 1 33 33 GLY H H 1 8.027 0.020 . 1 . . . . . 565 GLY H . 52033 1 103 . 1 . 1 33 33 GLY C C 13 174.402 0.3 . 1 . . . . . 565 GLY C . 52033 1 104 . 1 . 1 33 33 GLY CA C 13 44.991 0.3 . 1 . . . . . 565 GLY CA . 52033 1 105 . 1 . 1 33 33 GLY N N 15 107.601 0.3 . 1 . . . . . 565 GLY N . 52033 1 106 . 1 . 1 34 34 GLY H H 1 7.856 0.020 . 1 . . . . . 566 GLY H . 52033 1 107 . 1 . 1 34 34 GLY C C 13 174.017 0.3 . 1 . . . . . 566 GLY C . 52033 1 108 . 1 . 1 34 34 GLY CA C 13 44.857 0.3 . 1 . . . . . 566 GLY CA . 52033 1 109 . 1 . 1 34 34 GLY N N 15 108.148 0.3 . 1 . . . . . 566 GLY N . 52033 1 110 . 1 . 1 35 35 TRP H H 1 7.897 0.020 . 1 . . . . . 567 TRP H . 52033 1 111 . 1 . 1 35 35 TRP C C 13 176.937 0.3 . 1 . . . . . 567 TRP C . 52033 1 112 . 1 . 1 35 35 TRP CA C 13 57.454 0.3 . 1 . . . . . 567 TRP CA . 52033 1 113 . 1 . 1 35 35 TRP N N 15 120.862 0.3 . 1 . . . . . 567 TRP N . 52033 1 114 . 1 . 1 36 36 GLY H H 1 8.115 0.020 . 1 . . . . . 568 GLY H . 52033 1 115 . 1 . 1 36 36 GLY C C 13 174.101 0.3 . 1 . . . . . 568 GLY C . 52033 1 116 . 1 . 1 36 36 GLY CA C 13 45.192 0.3 . 1 . . . . . 568 GLY CA . 52033 1 117 . 1 . 1 36 36 GLY N N 15 110.814 0.3 . 1 . . . . . 568 GLY N . 52033 1 118 . 1 . 1 38 38 SER H H 1 8.173 0.020 . 1 . . . . . 570 SER H . 52033 1 119 . 1 . 1 38 38 SER CA C 13 58.594 0.3 . 1 . . . . . 570 SER CA . 52033 1 120 . 1 . 1 38 38 SER N N 15 117.581 0.3 . 1 . . . . . 570 SER N . 52033 1 121 . 1 . 1 40 40 SER H H 1 8.009 0.020 . 1 . . . . . 572 SER H . 52033 1 122 . 1 . 1 40 40 SER C C 13 174.614 0.3 . 1 . . . . . 572 SER C . 52033 1 123 . 1 . 1 40 40 SER CA C 13 58.326 0.3 . 1 . . . . . 572 SER CA . 52033 1 124 . 1 . 1 40 40 SER N N 15 116.556 0.3 . 1 . . . . . 572 SER N . 52033 1 125 . 1 . 1 41 41 LYS H H 1 8.144 0.020 . 1 . . . . . 573 LYS H . 52033 1 126 . 1 . 1 41 41 LYS C C 13 176.185 0.3 . 1 . . . . . 573 LYS C . 52033 1 127 . 1 . 1 41 41 LYS CA C 13 56.382 0.3 . 1 . . . . . 573 LYS CA . 52033 1 128 . 1 . 1 41 41 LYS N N 15 123.118 0.3 . 1 . . . . . 573 LYS N . 52033 1 129 . 1 . 1 42 42 ASP H H 1 8.003 0.020 . 1 . . . . . 574 ASP H . 52033 1 130 . 1 . 1 42 42 ASP C C 13 176.001 0.3 . 1 . . . . . 574 ASP C . 52033 1 131 . 1 . 1 42 42 ASP CA C 13 54.171 0.3 . 1 . . . . . 574 ASP CA . 52033 1 132 . 1 . 1 42 42 ASP N N 15 120.657 0.3 . 1 . . . . . 574 ASP N . 52033 1 133 . 1 . 1 43 43 ASN H H 1 8.167 0.020 . 1 . . . . . 575 ASN H . 52033 1 134 . 1 . 1 43 43 ASN C C 13 175.366 0.3 . 1 . . . . . 575 ASN C . 52033 1 135 . 1 . 1 43 43 ASN CA C 13 53.166 0.3 . 1 . . . . . 575 ASN CA . 52033 1 136 . 1 . 1 43 43 ASN N N 15 119.973 0.3 . 1 . . . . . 575 ASN N . 52033 1 137 . 1 . 1 44 44 SER H H 1 8.044 0.020 . 1 . . . . . 576 SER H . 52033 1 138 . 1 . 1 44 44 SER C C 13 174.168 0.3 . 1 . . . . . 576 SER C . 52033 1 139 . 1 . 1 44 44 SER CA C 13 58.929 0.3 . 1 . . . . . 576 SER CA . 52033 1 140 . 1 . 1 44 44 SER N N 15 115.804 0.3 . 1 . . . . . 576 SER N . 52033 1 141 . 1 . 1 45 45 PHE H H 1 7.939 0.020 . 1 . . . . . 577 PHE H . 52033 1 142 . 1 . 1 45 45 PHE C C 13 175.706 0.3 . 1 . . . . . 577 PHE C . 52033 1 143 . 1 . 1 45 45 PHE CA C 13 57.924 0.3 . 1 . . . . . 577 PHE CA . 52033 1 144 . 1 . 1 45 45 PHE N N 15 121.819 0.3 . 1 . . . . . 577 PHE N . 52033 1 145 . 1 . 1 46 46 LYS H H 1 7.944 0.020 . 1 . . . . . 578 LYS H . 52033 1 146 . 1 . 1 46 46 LYS C C 13 176.464 0.3 . 1 . . . . . 578 LYS C . 52033 1 147 . 1 . 1 46 46 LYS CA C 13 55.980 0.3 . 1 . . . . . 578 LYS CA . 52033 1 148 . 1 . 1 46 46 LYS N N 15 123.870 0.3 . 1 . . . . . 578 LYS N . 52033 1 149 . 1 . 1 47 47 GLY H H 1 7.346 0.020 . 1 . . . . . 579 GLY H . 52033 1 150 . 1 . 1 47 47 GLY C C 13 174.257 0.3 . 1 . . . . . 579 GLY C . 52033 1 151 . 1 . 1 47 47 GLY CA C 13 45.125 0.3 . 1 . . . . . 579 GLY CA . 52033 1 152 . 1 . 1 47 47 GLY N N 15 108.832 0.3 . 1 . . . . . 579 GLY N . 52033 1 153 . 1 . 1 49 49 SER H H 1 8.115 0.020 . 1 . . . . . 581 SER H . 52033 1 154 . 1 . 1 49 49 SER C C 13 174.920 0.3 . 1 . . . . . 581 SER C . 52033 1 155 . 1 . 1 49 49 SER CA C 13 58.460 0.3 . 1 . . . . . 581 SER CA . 52033 1 156 . 1 . 1 49 49 SER N N 15 115.325 0.3 . 1 . . . . . 581 SER N . 52033 1 157 . 1 . 1 51 51 TRP H H 1 7.809 0.020 . 1 . . . . . 583 TRP H . 52033 1 158 . 1 . 1 51 51 TRP C C 13 176.709 0.3 . 1 . . . . . 583 TRP C . 52033 1 159 . 1 . 1 51 51 TRP CA C 13 57.387 0.3 . 1 . . . . . 583 TRP CA . 52033 1 160 . 1 . 1 51 51 TRP N N 15 120.930 0.3 . 1 . . . . . 583 TRP N . 52033 1 161 . 1 . 1 52 52 GLY H H 1 8.027 0.020 . 1 . . . . . 584 GLY H . 52033 1 162 . 1 . 1 52 52 GLY C C 13 174.129 0.3 . 1 . . . . . 584 GLY C . 52033 1 163 . 1 . 1 52 52 GLY CA C 13 45.125 0.3 . 1 . . . . . 584 GLY CA . 52033 1 164 . 1 . 1 52 52 GLY N N 15 111.019 0.3 . 1 . . . . . 584 GLY N . 52033 1 165 . 1 . 1 53 53 SER H H 1 8.003 0.020 . 1 . . . . . 585 SER H . 52033 1 166 . 1 . 1 53 53 SER C C 13 174.291 0.3 . 1 . . . . . 585 SER C . 52033 1 167 . 1 . 1 53 53 SER CA C 13 58.259 0.3 . 1 . . . . . 585 SER CA . 52033 1 168 . 1 . 1 53 53 SER N N 15 115.257 0.3 . 1 . . . . . 585 SER N . 52033 1 169 . 1 . 1 54 54 ASP H H 1 8.173 0.020 . 1 . . . . . 586 ASP H . 52033 1 170 . 1 . 1 54 54 ASP C C 13 176.319 0.3 . 1 . . . . . 586 ASP C . 52033 1 171 . 1 . 1 54 54 ASP CA C 13 54.037 0.3 . 1 . . . . . 586 ASP CA . 52033 1 172 . 1 . 1 54 54 ASP N N 15 121.546 0.3 . 1 . . . . . 586 ASP N . 52033 1 173 . 1 . 1 55 55 SER H H 1 7.956 0.020 . 1 . . . . . 587 SER H . 52033 1 174 . 1 . 1 55 55 SER C C 13 174.809 0.3 . 1 . . . . . 587 SER C . 52033 1 175 . 1 . 1 55 55 SER CA C 13 58.795 0.3 . 1 . . . . . 587 SER CA . 52033 1 176 . 1 . 1 55 55 SER N N 15 116.077 0.3 . 1 . . . . . 587 SER N . 52033 1 177 . 1 . 1 56 56 LYS H H 1 8.068 0.020 . 1 . . . . . 588 LYS H . 52033 1 178 . 1 . 1 56 56 LYS C C 13 176.826 0.3 . 1 . . . . . 588 LYS C . 52033 1 179 . 1 . 1 56 56 LYS CA C 13 56.382 0.3 . 1 . . . . . 588 LYS CA . 52033 1 180 . 1 . 1 56 56 LYS N N 15 122.366 0.3 . 1 . . . . . 588 LYS N . 52033 1 181 . 1 . 1 58 58 SER H H 1 8.032 0.020 . 1 . . . . . 590 SER H . 52033 1 182 . 1 . 1 58 58 SER C C 13 174.831 0.3 . 1 . . . . . 590 SER C . 52033 1 183 . 1 . 1 58 58 SER CA C 13 58.460 0.3 . 1 . . . . . 590 SER CA . 52033 1 184 . 1 . 1 58 58 SER N N 15 117.308 0.3 . 1 . . . . . 590 SER N . 52033 1 185 . 1 . 1 59 59 GLY H H 1 8.027 0.020 . 1 . . . . . 591 GLY H . 52033 1 186 . 1 . 1 59 59 GLY C C 13 173.884 0.3 . 1 . . . . . 591 GLY C . 52033 1 187 . 1 . 1 59 59 GLY CA C 13 45.058 0.3 . 1 . . . . . 591 GLY CA . 52033 1 188 . 1 . 1 59 59 GLY N N 15 110.131 0.3 . 1 . . . . . 591 GLY N . 52033 1 189 . 1 . 1 60 60 TRP H H 1 7.762 0.020 . 1 . . . . . 592 TRP H . 52033 1 190 . 1 . 1 60 60 TRP C C 13 176.820 0.3 . 1 . . . . . 592 TRP C . 52033 1 191 . 1 . 1 60 60 TRP CA C 13 57.454 0.3 . 1 . . . . . 592 TRP CA . 52033 1 192 . 1 . 1 60 60 TRP N N 15 120.725 0.3 . 1 . . . . . 592 TRP N . 52033 1 193 . 1 . 1 61 61 GLY H H 1 8.003 0.020 . 1 . . . . . 593 GLY H . 52033 1 194 . 1 . 1 61 61 GLY C C 13 178.754 0.3 . 1 . . . . . 593 GLY C . 52033 1 195 . 1 . 1 61 61 GLY CA C 13 45.259 0.3 . 1 . . . . . 593 GLY CA . 52033 1 196 . 1 . 1 61 61 GLY N N 15 110.404 0.3 . 1 . . . . . 593 GLY N . 52033 1 197 . 1 . 1 62 62 ASN H H 1 7.939 0.020 . 1 . . . . . 594 ASN H . 52033 1 198 . 1 . 1 62 62 ASN C C 13 175.466 0.3 . 1 . . . . . 594 ASN C . 52033 1 199 . 1 . 1 62 62 ASN CA C 13 52.898 0.3 . 1 . . . . . 594 ASN CA . 52033 1 200 . 1 . 1 62 62 ASN N N 15 118.401 0.3 . 1 . . . . . 594 ASN N . 52033 1 201 . 1 . 1 63 63 SER H H 1 8.150 0.020 . 1 . . . . . 595 SER H . 52033 1 202 . 1 . 1 63 63 SER C C 13 175.026 0.3 . 1 . . . . . 595 SER C . 52033 1 203 . 1 . 1 63 63 SER CA C 13 58.527 0.3 . 1 . . . . . 595 SER CA . 52033 1 204 . 1 . 1 63 63 SER N N 15 116.077 0.3 . 1 . . . . . 595 SER N . 52033 1 205 . 1 . 1 67 67 ASN H H 1 8.261 0.020 . 1 . . . . . 599 ASN H . 52033 1 206 . 1 . 1 67 67 ASN C C 13 174.785 0.3 . 1 . . . . . 599 ASN C . 52033 1 207 . 1 . 1 67 67 ASN CA C 13 53.166 0.3 . 1 . . . . . 599 ASN CA . 52033 1 208 . 1 . 1 67 67 ASN N N 15 120.035 0.3 . 1 . . . . . 599 ASN N . 52033 1 209 . 1 . 1 68 68 ASN H H 1 8.050 0.020 . 1 . . . . . 600 ASN H . 52033 1 210 . 1 . 1 68 68 ASN C C 13 175.087 0.3 . 1 . . . . . 600 ASN C . 52033 1 211 . 1 . 1 68 68 ASN CA C 13 53.099 0.3 . 1 . . . . . 600 ASN CA . 52033 1 212 . 1 . 1 68 68 ASN N N 15 118.743 0.3 . 1 . . . . . 600 ASN N . 52033 1 213 . 1 . 1 69 69 SER H H 1 7.939 0.020 . 1 . . . . . 601 SER H . 52033 1 214 . 1 . 1 69 69 SER C C 13 174.352 0.3 . 1 . . . . . 601 SER C . 52033 1 215 . 1 . 1 69 69 SER CA C 13 58.527 0.3 . 1 . . . . . 601 SER CA . 52033 1 216 . 1 . 1 69 69 SER N N 15 115.589 0.3 . 1 . . . . . 601 SER N . 52033 1 217 . 1 . 1 70 70 SER H H 1 7.927 0.020 . 1 . . . . . 602 SER H . 52033 1 218 . 1 . 1 70 70 SER C C 13 178.698 0.3 . 1 . . . . . 602 SER C . 52033 1 219 . 1 . 1 70 70 SER CA C 13 58.393 0.3 . 1 . . . . . 602 SER CA . 52033 1 220 . 1 . 1 70 70 SER N N 15 117.034 0.3 . 1 . . . . . 602 SER N . 52033 1 221 . 1 . 1 71 71 TRP H H 1 7.440 0.020 . 1 . . . . . 603 TRP H . 52033 1 222 . 1 . 1 71 71 TRP C C 13 174.597 0.3 . 1 . . . . . 603 TRP C . 52033 1 223 . 1 . 1 71 71 TRP CA C 13 56.516 0.3 . 1 . . . . . 603 TRP CA . 52033 1 224 . 1 . 1 71 71 TRP N N 15 121.477 0.3 . 1 . . . . . 603 TRP N . 52033 1 225 . 1 . 1 72 72 TRP H H 1 7.088 0.020 . 1 . . . . . 604 TRP H . 52033 1 226 . 1 . 1 72 72 TRP C C 13 175.455 0.3 . 1 . . . . . 604 TRP C . 52033 1 227 . 1 . 1 72 72 TRP CA C 13 58.259 0.3 . 1 . . . . . 604 TRP CA . 52033 1 228 . 1 . 1 72 72 TRP N N 15 126.125 0.3 . 1 . . . . . 604 TRP N . 52033 1 stop_ save_