################################### # 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 52031 _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' . . . 52031 1 2 '3D HNCACB' . . . 52031 1 3 '3D HN(CA)CO' . . . 52031 1 4 '2D 1H-15N TROSY' . . . 52031 1 5 '3D C(CO)NH' . . . 52031 1 6 '3D HN(CO)CACB' . . . 52031 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 . . 52031 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 8.291 0.02 . 1 . . . . . 533 MET H . 52031 1 2 . 1 . 1 1 1 MET C C 13 176.432 0.3 . 1 . . . . . 533 MET C . 52031 1 3 . 1 . 1 1 1 MET CA C 13 55.339 0.3 . 1 . . . . . 533 MET CA . 52031 1 4 . 1 . 1 1 1 MET N N 15 120.167 0.3 . 1 . . . . . 533 MET N . 52031 1 5 . 1 . 1 2 2 MET H H 1 8.351 0.02 . 1 . . . . . 534 MET H . 52031 1 6 . 1 . 1 2 2 MET C C 13 176.075 0.3 . 1 . . . . . 534 MET C . 52031 1 7 . 1 . 1 2 2 MET CA C 13 55.335 0.3 . 1 . . . . . 534 MET CA . 52031 1 8 . 1 . 1 2 2 MET N N 15 122.218 0.3 . 1 . . . . . 534 MET N . 52031 1 9 . 1 . 1 3 3 SER H H 1 8.108 0.02 . 1 . . . . . 535 SER H . 52031 1 10 . 1 . 1 3 3 SER C C 13 173.523 0.3 . 1 . . . . . 535 SER C . 52031 1 11 . 1 . 1 3 3 SER CA C 13 57.962 0.3 . 1 . . . . . 535 SER CA . 52031 1 12 . 1 . 1 3 3 SER N N 15 117.479 0.3 . 1 . . . . . 535 SER N . 52031 1 13 . 1 . 1 4 4 ALA H H 1 8.206 0.02 . 1 . . . . . 536 ALA H . 52031 1 14 . 1 . 1 4 4 ALA C C 13 175.538 0.3 . 1 . . . . . 536 ALA C . 52031 1 15 . 1 . 1 4 4 ALA CA C 13 50.396 0.3 . 1 . . . . . 536 ALA CA . 52031 1 16 . 1 . 1 4 4 ALA N N 15 127.024 0.3 . 1 . . . . . 536 ALA N . 52031 1 17 . 1 . 1 6 6 GLY H H 1 8.373 0.02 . 1 . . . . . 538 GLY H . 52031 1 18 . 1 . 1 6 6 GLY C C 13 174.265 0.3 . 1 . . . . . 538 GLY C . 52031 1 19 . 1 . 1 6 6 GLY CA C 13 44.908 0.3 . 1 . . . . . 538 GLY CA . 52031 1 20 . 1 . 1 6 6 GLY N N 15 109.679 0.3 . 1 . . . . . 538 GLY N . 52031 1 21 . 1 . 1 7 7 SER H H 1 7.94 0.02 . 1 . . . . . 539 SER H . 52031 1 22 . 1 . 1 7 7 SER C C 13 174.816 0.3 . 1 . . . . . 539 SER C . 52031 1 23 . 1 . 1 7 7 SER CA C 13 58.474 0.3 . 1 . . . . . 539 SER CA . 52031 1 24 . 1 . 1 7 7 SER N N 15 115.526 0.3 . 1 . . . . . 539 SER N . 52031 1 25 . 1 . 1 8 8 LYS H H 1 8.289 0.02 . 1 . . . . . 540 LYS H . 52031 1 26 . 1 . 1 8 8 LYS C C 13 176.781 0.3 . 1 . . . . . 540 LYS C . 52031 1 27 . 1 . 1 8 8 LYS CA C 13 56.171 0.3 . 1 . . . . . 540 LYS CA . 52031 1 28 . 1 . 1 8 8 LYS N N 15 123.194 0.3 . 1 . . . . . 540 LYS N . 52031 1 29 . 1 . 1 9 9 SER H H 1 8.119 0.02 . 1 . . . . . 541 SER H . 52031 1 30 . 1 . 1 9 9 SER C C 13 174.361 0.3 . 1 . . . . . 541 SER C . 52031 1 31 . 1 . 1 9 9 SER CA C 13 58.282 0.3 . 1 . . . . . 541 SER CA . 52031 1 32 . 1 . 1 9 9 SER N N 15 116.536 0.3 . 1 . . . . . 541 SER N . 52031 1 33 . 1 . 1 10 10 ASN H H 1 8.272 0.02 . 1 . . . . . 542 ASN H . 52031 1 34 . 1 . 1 10 10 ASN C C 13 175.283 0.3 . 1 . . . . . 542 ASN C . 52031 1 35 . 1 . 1 10 10 ASN CA C 13 53.035 0.3 . 1 . . . . . 542 ASN CA . 52031 1 36 . 1 . 1 10 10 ASN N N 15 120.951 0.3 . 1 . . . . . 542 ASN N . 52031 1 37 . 1 . 1 13 13 LYS H H 1 8.159 0.02 . 1 . . . . . 545 LYS H . 52031 1 38 . 1 . 1 13 13 LYS C C 13 177.145 0.3 . 1 . . . . . 545 LYS C . 52031 1 39 . 1 . 1 13 13 LYS CA C 13 56.231 0.3 . 1 . . . . . 545 LYS CA . 52031 1 40 . 1 . 1 13 13 LYS N N 15 122.807 0.3 . 1 . . . . . 545 LYS N . 52031 1 41 . 1 . 1 14 14 GLY H H 1 8.291 0.02 . 1 . . . . . 546 GLY H . 52031 1 42 . 1 . 1 14 14 GLY C C 13 174.63 0.3 . 1 . . . . . 546 GLY C . 52031 1 43 . 1 . 1 14 14 GLY CA C 13 45.036 0.3 . 1 . . . . . 546 GLY CA . 52031 1 44 . 1 . 1 14 14 GLY N N 15 110.54 0.3 . 1 . . . . . 546 GLY N . 52031 1 45 . 1 . 1 18 18 LYS H H 1 8.069 0.02 . 1 . . . . . 550 LYS H . 52031 1 46 . 1 . 1 18 18 LYS C C 13 176.432 0.3 . 1 . . . . . 550 LYS C . 52031 1 47 . 1 . 1 18 18 LYS CA C 13 56.171 0.3 . 1 . . . . . 550 LYS CA . 52031 1 48 . 1 . 1 18 18 LYS N N 15 120.588 0.3 . 1 . . . . . 550 LYS N . 52031 1 49 . 1 . 1 19 19 ASN H H 1 8.324 0.02 . 1 . . . . . 551 ASN H . 52031 1 50 . 1 . 1 19 19 ASN C C 13 174.803 0.3 . 1 . . . . . 551 ASN C . 52031 1 51 . 1 . 1 19 19 ASN CA C 13 52.971 0.3 . 1 . . . . . 551 ASN CA . 52031 1 52 . 1 . 1 19 19 ASN N N 15 119.273 0.3 . 1 . . . . . 551 ASN N . 52031 1 53 . 1 . 1 20 20 ASN H H 1 8.196 0.02 . 1 . . . . . 552 ASN H . 52031 1 54 . 1 . 1 20 20 ASN C C 13 174.905 0.3 . 1 . . . . . 552 ASN C . 52031 1 55 . 1 . 1 20 20 ASN CA C 13 52.967 0.3 . 1 . . . . . 552 ASN CA . 52031 1 56 . 1 . 1 20 20 ASN N N 15 119.273 0.3 . 1 . . . . . 552 ASN N . 52031 1 57 . 1 . 1 21 21 ASN H H 1 8.214 0.02 . 1 . . . . . 553 ASN H . 52031 1 58 . 1 . 1 21 21 ASN C C 13 175.545 0.3 . 1 . . . . . 553 ASN C . 52031 1 59 . 1 . 1 21 21 ASN CA C 13 53.291 0.3 . 1 . . . . . 553 ASN CA . 52031 1 60 . 1 . 1 21 21 ASN N N 15 118.987 0.3 . 1 . . . . . 553 ASN N . 52031 1 61 . 1 . 1 22 22 LYS H H 1 8.177 0.02 . 1 . . . . . 554 LYS H . 52031 1 62 . 1 . 1 22 22 LYS C C 13 176.512 0.3 . 1 . . . . . 554 LYS C . 52031 1 63 . 1 . 1 22 22 LYS CA C 13 56.555 0.3 . 1 . . . . . 554 LYS CA . 52031 1 64 . 1 . 1 22 22 LYS N N 15 121.701 0.3 . 1 . . . . . 554 LYS N . 52031 1 65 . 1 . 1 23 23 ASP H H 1 8.088 0.02 . 1 . . . . . 555 ASP H . 52031 1 66 . 1 . 1 23 23 ASP C C 13 176.706 0.3 . 1 . . . . . 555 ASP C . 52031 1 67 . 1 . 1 23 23 ASP CA C 13 54.315 0.3 . 1 . . . . . 555 ASP CA . 52031 1 68 . 1 . 1 23 23 ASP N N 15 120.225 0.3 . 1 . . . . . 555 ASP N . 52031 1 69 . 1 . 1 24 24 GLY H H 1 8.056 0.02 . 1 . . . . . 556 GLY H . 52031 1 70 . 1 . 1 24 24 GLY C C 13 174.208 0.3 . 1 . . . . . 556 GLY C . 52031 1 71 . 1 . 1 24 24 GLY CA C 13 45.292 0.3 . 1 . . . . . 556 GLY CA . 52031 1 72 . 1 . 1 24 24 GLY N N 15 109.063 0.3 . 1 . . . . . 556 GLY N . 52031 1 73 . 1 . 1 25 25 LYS H H 1 7.928 0.02 . 1 . . . . . 557 LYS H . 52031 1 74 . 1 . 1 25 25 LYS C C 13 176.717 0.3 . 1 . . . . . 557 LYS C . 52031 1 75 . 1 . 1 25 25 LYS CA C 13 56.171 0.3 . 1 . . . . . 557 LYS CA . 52031 1 76 . 1 . 1 25 25 LYS N N 15 120.696 0.3 . 1 . . . . . 557 LYS N . 52031 1 77 . 1 . 1 26 26 LYS H H 1 8.147 0.02 . 1 . . . . . 558 LYS H . 52031 1 78 . 1 . 1 26 26 LYS C C 13 176.339 0.3 . 1 . . . . . 558 LYS C . 52031 1 79 . 1 . 1 26 26 LYS CA C 13 56.171 0.3 . 1 . . . . . 558 LYS CA . 52031 1 80 . 1 . 1 26 26 LYS N N 15 122.804 0.3 . 1 . . . . . 558 LYS N . 52031 1 81 . 1 . 1 27 27 ALA H H 1 8.221 0.02 . 1 . . . . . 559 ALA H . 52031 1 82 . 1 . 1 27 27 ALA C C 13 178.176 0.3 . 1 . . . . . 559 ALA C . 52031 1 83 . 1 . 1 27 27 ALA CA C 13 52.331 0.3 . 1 . . . . . 559 ALA CA . 52031 1 84 . 1 . 1 27 27 ALA N N 15 125.871 0.3 . 1 . . . . . 559 ALA N . 52031 1 85 . 1 . 1 28 28 GLY H H 1 8.243 0.02 . 1 . . . . . 560 GLY H . 52031 1 86 . 1 . 1 28 28 GLY C C 13 174.624 0.3 . 1 . . . . . 560 GLY C . 52031 1 87 . 1 . 1 28 28 GLY CA C 13 45.036 0.3 . 1 . . . . . 560 GLY CA . 52031 1 88 . 1 . 1 28 28 GLY N N 15 108.622 0.3 . 1 . . . . . 560 GLY N . 52031 1 89 . 1 . 1 29 29 GLY H H 1 8.079 0.02 . 1 . . . . . 561 GLY H . 52031 1 90 . 1 . 1 29 29 GLY CA C 13 45.096 0.3 . 1 . . . . . 561 GLY CA . 52031 1 91 . 1 . 1 29 29 GLY N N 15 108.562 0.3 . 1 . . . . . 561 GLY N . 52031 1 92 . 1 . 1 30 30 ALA H H 1 8.113 0.02 . 1 . . . . . 562 ALA H . 52031 1 93 . 1 . 1 30 30 ALA C C 13 178.064 0.3 . 1 . . . . . 562 ALA C . 52031 1 94 . 1 . 1 30 30 ALA CA C 13 52.331 0.3 . 1 . . . . . 562 ALA CA . 52031 1 95 . 1 . 1 30 30 ALA N N 15 123.742 0.3 . 1 . . . . . 562 ALA N . 52031 1 96 . 1 . 1 31 31 SER H H 1 8.165 0.02 . 1 . . . . . 563 SER H . 52031 1 97 . 1 . 1 31 31 SER C C 13 174.445 0.3 . 1 . . . . . 563 SER C . 52031 1 98 . 1 . 1 31 31 SER CA C 13 58.154 0.3 . 1 . . . . . 563 SER CA . 52031 1 99 . 1 . 1 31 31 SER N N 15 115.156 0.3 . 1 . . . . . 563 SER N . 52031 1 100 . 1 . 1 32 32 ALA H H 1 8.163 0.02 . 1 . . . . . 564 ALA H . 52031 1 101 . 1 . 1 32 32 ALA C C 13 178.221 0.3 . 1 . . . . . 564 ALA C . 52031 1 102 . 1 . 1 32 32 ALA CA C 13 52.523 0.3 . 1 . . . . . 564 ALA CA . 52031 1 103 . 1 . 1 32 32 ALA N N 15 126.029 0.3 . 1 . . . . . 564 ALA N . 52031 1 104 . 1 . 1 33 33 GLY H H 1 8.181 0.02 . 1 . . . . . 565 GLY H . 52031 1 105 . 1 . 1 33 33 GLY C C 13 174.771 0.3 . 1 . . . . . 565 GLY C . 52031 1 106 . 1 . 1 33 33 GLY CA C 13 45.036 0.3 . 1 . . . . . 565 GLY CA . 52031 1 107 . 1 . 1 33 33 GLY N N 15 108.034 0.3 . 1 . . . . . 565 GLY N . 52031 1 108 . 1 . 1 38 38 SER H H 1 8.234 0.02 . 1 . . . . . 570 SER H . 52031 1 109 . 1 . 1 38 38 SER CA C 13 58.41 0.3 . 1 . . . . . 570 SER CA . 52031 1 110 . 1 . 1 38 38 SER N N 15 117.966 0.3 . 1 . . . . . 570 SER N . 52031 1 111 . 1 . 1 39 39 LYS H H 1 8.144 0.02 . 1 . . . . . 571 LYS H . 52031 1 112 . 1 . 1 39 39 LYS C C 13 176.665 0.3 . 1 . . . . . 571 LYS C . 52031 1 113 . 1 . 1 39 39 LYS CA C 13 56.107 0.3 . 1 . . . . . 571 LYS CA . 52031 1 114 . 1 . 1 39 39 LYS N N 15 123.163 0.3 . 1 . . . . . 571 LYS N . 52031 1 115 . 1 . 1 40 40 SER H H 1 8.098 0.02 . 1 . . . . . 572 SER H . 52031 1 116 . 1 . 1 40 40 SER C C 13 174.64 0.3 . 1 . . . . . 572 SER C . 52031 1 117 . 1 . 1 40 40 SER CA C 13 58.282 0.3 . 1 . . . . . 572 SER CA . 52031 1 118 . 1 . 1 40 40 SER N N 15 117.077 0.3 . 1 . . . . . 572 SER N . 52031 1 119 . 1 . 1 41 41 LYS H H 1 8.211 0.02 . 1 . . . . . 573 LYS H . 52031 1 120 . 1 . 1 41 41 LYS C C 13 176.211 0.3 . 1 . . . . . 573 LYS C . 52031 1 121 . 1 . 1 41 41 LYS CA C 13 56.299 0.3 . 1 . . . . . 573 LYS CA . 52031 1 122 . 1 . 1 41 41 LYS N N 15 123.277 0.3 . 1 . . . . . 573 LYS N . 52031 1 123 . 1 . 1 42 42 ASP H H 1 8.089 0.02 . 1 . . . . . 574 ASP H . 52031 1 124 . 1 . 1 42 42 ASP C C 13 175.998 0.3 . 1 . . . . . 574 ASP C . 52031 1 125 . 1 . 1 42 42 ASP CA C 13 53.995 0.3 . 1 . . . . . 574 ASP CA . 52031 1 126 . 1 . 1 42 42 ASP N N 15 120.943 0.3 . 1 . . . . . 574 ASP N . 52031 1 127 . 1 . 1 43 43 ASN H H 1 8.267 0.02 . 1 . . . . . 575 ASN H . 52031 1 128 . 1 . 1 43 43 ASN C C 13 175.622 0.3 . 1 . . . . . 575 ASN C . 52031 1 129 . 1 . 1 43 43 ASN CA C 13 52.907 0.3 . 1 . . . . . 575 ASN CA . 52031 1 130 . 1 . 1 43 43 ASN N N 15 120.456 0.3 . 1 . . . . . 575 ASN N . 52031 1 131 . 1 . 1 44 44 SER H H 1 8.184 0.02 . 1 . . . . . 576 SER H . 52031 1 132 . 1 . 1 44 44 SER C C 13 175.245 0.3 . 1 . . . . . 576 SER C . 52031 1 133 . 1 . 1 44 44 SER CA C 13 59.242 0.3 . 1 . . . . . 576 SER CA . 52031 1 134 . 1 . 1 44 44 SER N N 15 116.124 0.3 . 1 . . . . . 576 SER N . 52031 1 135 . 1 . 1 45 45 GLY H H 1 8.257 0.02 . 1 . . . . . 577 GLY H . 52031 1 136 . 1 . 1 45 45 GLY C C 13 174.336 0.3 . 1 . . . . . 577 GLY C . 52031 1 137 . 1 . 1 45 45 GLY CA C 13 45.1 0.3 . 1 . . . . . 577 GLY CA . 52031 1 138 . 1 . 1 45 45 GLY N N 15 110.613 0.3 . 1 . . . . . 577 GLY N . 52031 1 139 . 1 . 1 46 46 LYS H H 1 7.939 0.02 . 1 . . . . . 578 LYS H . 52031 1 140 . 1 . 1 46 46 LYS C C 13 177.286 0.3 . 1 . . . . . 578 LYS C . 52031 1 141 . 1 . 1 46 46 LYS CA C 13 56.235 0.3 . 1 . . . . . 578 LYS CA . 52031 1 142 . 1 . 1 46 46 LYS N N 15 120.549 0.3 . 1 . . . . . 578 LYS N . 52031 1 143 . 1 . 1 47 47 GLY H H 1 8.334 0.02 . 1 . . . . . 579 GLY H . 52031 1 144 . 1 . 1 47 47 GLY C C 13 174.64 0.3 . 1 . . . . . 579 GLY C . 52031 1 145 . 1 . 1 47 47 GLY CA C 13 45.036 0.3 . 1 . . . . . 579 GLY CA . 52031 1 146 . 1 . 1 47 47 GLY N N 15 109.91 0.3 . 1 . . . . . 579 GLY N . 52031 1 147 . 1 . 1 50 50 GLY H H 1 8.359 0.02 . 1 . . . . . 582 GLY H . 52031 1 148 . 1 . 1 50 50 GLY C C 13 174.701 0.3 . 1 . . . . . 582 GLY C . 52031 1 149 . 1 . 1 50 50 GLY CA C 13 45.1 0.3 . 1 . . . . . 582 GLY CA . 52031 1 150 . 1 . 1 50 50 GLY N N 15 110.93 0.3 . 1 . . . . . 582 GLY N . 52031 1 151 . 1 . 1 52 52 GLY H H 1 8.15 0.02 . 1 . . . . . 584 GLY H . 52031 1 152 . 1 . 1 52 52 GLY C C 13 174.393 0.3 . 1 . . . . . 584 GLY C . 52031 1 153 . 1 . 1 52 52 GLY CA C 13 44.917 0.3 . 1 . . . . . 584 GLY CA . 52031 1 154 . 1 . 1 52 52 GLY N N 15 108.749 0.3 . 1 . . . . . 584 GLY N . 52031 1 155 . 1 . 1 53 53 SER H H 1 8.164 0.02 . 1 . . . . . 585 SER H . 52031 1 156 . 1 . 1 53 53 SER C C 13 174.329 0.3 . 1 . . . . . 585 SER C . 52031 1 157 . 1 . 1 53 53 SER CA C 13 58.346 0.3 . 1 . . . . . 585 SER CA . 52031 1 158 . 1 . 1 53 53 SER N N 15 115.478 0.3 . 1 . . . . . 585 SER N . 52031 1 159 . 1 . 1 54 54 ASP H H 1 8.232 0.02 . 1 . . . . . 586 ASP H . 52031 1 160 . 1 . 1 54 54 ASP C C 13 176.368 0.3 . 1 . . . . . 586 ASP C . 52031 1 161 . 1 . 1 54 54 ASP CA C 13 53.995 0.3 . 1 . . . . . 586 ASP CA . 52031 1 162 . 1 . 1 54 54 ASP N N 15 121.983 0.3 . 1 . . . . . 586 ASP N . 52031 1 163 . 1 . 1 55 55 SER H H 1 8.048 0.02 . 1 . . . . . 587 SER H . 52031 1 164 . 1 . 1 55 55 SER CA C 13 58.41 0.3 . 1 . . . . . 587 SER CA . 52031 1 165 . 1 . 1 55 55 SER N N 15 116.304 0.3 . 1 . . . . . 587 SER N . 52031 1 166 . 1 . 1 57 57 SER H H 1 8.056 0.02 . 1 . . . . . 589 SER H . 52031 1 167 . 1 . 1 57 57 SER C C 13 174.72 0.3 . 1 . . . . . 589 SER C . 52031 1 168 . 1 . 1 57 57 SER CA C 13 58.538 0.3 . 1 . . . . . 589 SER CA . 52031 1 169 . 1 . 1 57 57 SER N N 15 116.266 0.3 . 1 . . . . . 589 SER N . 52031 1 170 . 1 . 1 58 58 SER H H 1 8.16 0.02 . 1 . . . . . 590 SER H . 52031 1 171 . 1 . 1 58 58 SER C C 13 175.046 0.3 . 1 . . . . . 590 SER C . 52031 1 172 . 1 . 1 58 58 SER CA C 13 58.215 0.3 . 1 . . . . . 590 SER CA . 52031 1 173 . 1 . 1 58 58 SER N N 15 117.688 0.3 . 1 . . . . . 590 SER N . 52031 1 174 . 1 . 1 59 59 GLY H H 1 8.201 0.02 . 1 . . . . . 591 GLY H . 52031 1 175 . 1 . 1 59 59 GLY C C 13 174.656 0.3 . 1 . . . . . 591 GLY C . 52031 1 176 . 1 . 1 59 59 GLY CA C 13 45.1 0.3 . 1 . . . . . 591 GLY CA . 52031 1 177 . 1 . 1 59 59 GLY N N 15 110.599 0.3 . 1 . . . . . 591 GLY N . 52031 1 178 . 1 . 1 62 62 ASN H H 1 8.191 0.02 . 1 . . . . . 594 ASN H . 52031 1 179 . 1 . 1 62 62 ASN C C 13 175.526 0.3 . 1 . . . . . 594 ASN C . 52031 1 180 . 1 . 1 62 62 ASN CA C 13 52.907 0.3 . 1 . . . . . 594 ASN CA . 52031 1 181 . 1 . 1 62 62 ASN N N 15 118.631 0.3 . 1 . . . . . 594 ASN N . 52031 1 182 . 1 . 1 63 63 SER H H 1 8.218 0.02 . 1 . . . . . 595 SER H . 52031 1 183 . 1 . 1 63 63 SER C C 13 175.072 0.3 . 1 . . . . . 595 SER C . 52031 1 184 . 1 . 1 63 63 SER CA C 13 58.538 0.3 . 1 . . . . . 595 SER CA . 52031 1 185 . 1 . 1 63 63 SER N N 15 116.423 0.3 . 1 . . . . . 595 SER N . 52031 1 186 . 1 . 1 65 65 GLY H H 1 8.004 0.02 . 1 . . . . . 597 GLY H . 52031 1 187 . 1 . 1 65 65 GLY C C 13 174.208 0.3 . 1 . . . . . 597 GLY C . 52031 1 188 . 1 . 1 65 65 GLY CA C 13 44.908 0.3 . 1 . . . . . 597 GLY CA . 52031 1 189 . 1 . 1 65 65 GLY N N 15 108.628 0.3 . 1 . . . . . 597 GLY N . 52031 1 190 . 1 . 1 66 66 SER H H 1 8.079 0.02 . 1 . . . . . 598 SER H . 52031 1 191 . 1 . 1 66 66 SER C C 13 174.328 0.3 . 1 . . . . . 598 SER C . 52031 1 192 . 1 . 1 66 66 SER CA C 13 58.282 0.3 . 1 . . . . . 598 SER CA . 52031 1 193 . 1 . 1 66 66 SER N N 15 115.419 0.3 . 1 . . . . . 598 SER N . 52031 1 194 . 1 . 1 67 67 ASN H H 1 8.318 0.02 . 1 . . . . . 599 ASN H . 52031 1 195 . 1 . 1 67 67 ASN C C 13 174.854 0.3 . 1 . . . . . 599 ASN C . 52031 1 196 . 1 . 1 67 67 ASN CA C 13 53.163 0.3 . 1 . . . . . 599 ASN CA . 52031 1 197 . 1 . 1 67 67 ASN N N 15 120.232 0.3 . 1 . . . . . 599 ASN N . 52031 1 198 . 1 . 1 68 68 ASN H H 1 8.101 0.02 . 1 . . . . . 600 ASN H . 52031 1 199 . 1 . 1 68 68 ASN C C 13 175.142 0.3 . 1 . . . . . 600 ASN C . 52031 1 200 . 1 . 1 68 68 ASN CA C 13 53.095 0.3 . 1 . . . . . 600 ASN CA . 52031 1 201 . 1 . 1 68 68 ASN N N 15 118.825 0.3 . 1 . . . . . 600 ASN N . 52031 1 202 . 1 . 1 69 69 SER H H 1 7.978 0.02 . 1 . . . . . 601 SER H . 52031 1 203 . 1 . 1 69 69 SER C C 13 174.393 0.3 . 1 . . . . . 601 SER C . 52031 1 204 . 1 . 1 69 69 SER CA C 13 58.538 0.3 . 1 . . . . . 601 SER CA . 52031 1 205 . 1 . 1 69 69 SER N N 15 115.789 0.3 . 1 . . . . . 601 SER N . 52031 1 206 . 1 . 1 70 70 SER H H 1 7.961 0.02 . 1 . . . . . 602 SER H . 52031 1 207 . 1 . 1 70 70 SER C C 13 173.729 0.3 . 1 . . . . . 602 SER C . 52031 1 208 . 1 . 1 70 70 SER CA C 13 58.343 0.3 . 1 . . . . . 602 SER CA . 52031 1 209 . 1 . 1 70 70 SER N N 15 117.119 0.3 . 1 . . . . . 602 SER N . 52031 1 210 . 1 . 1 71 71 TRP H H 1 7.477 0.02 . 1 . . . . . 603 TRP H . 52031 1 211 . 1 . 1 71 71 TRP C C 13 174.653 0.3 . 1 . . . . . 603 TRP C . 52031 1 212 . 1 . 1 71 71 TRP CA C 13 56.491 0.3 . 1 . . . . . 603 TRP CA . 52031 1 213 . 1 . 1 71 71 TRP N N 15 121.573 0.3 . 1 . . . . . 603 TRP N . 52031 1 214 . 1 . 1 72 72 TRP H H 1 7.121 0.02 . 1 . . . . . 604 TRP H . 52031 1 215 . 1 . 1 72 72 TRP C C 13 174.468 0.3 . 1 . . . . . 604 TRP C . 52031 1 216 . 1 . 1 72 72 TRP CA C 13 58.279 0.3 . 1 . . . . . 604 TRP CA . 52031 1 217 . 1 . 1 72 72 TRP N N 15 126.321 0.3 . 1 . . . . . 604 TRP N . 52031 1 stop_ save_