################################### # 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 30436 _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 $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 30436 1 2 '3D CBCA(CO)NH' . . . 30436 1 3 '3D HNCACB' . . . 30436 1 4 '3D HNCO' . . . 30436 1 5 '3D HN(CA)CO' . . . 30436 1 6 '2D NOESY' . . . 30436 1 7 '3D 1H-13C NOESY' . . . 30436 1 8 '3D 1H-15N NOESY' . . . 30436 1 9 '3D C(CO)NH' . . . 30436 1 10 '3D H(CCO)NH' . . . 30436 1 11 '3D HBHA(CO)NH' . . . 30436 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.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 C C 13 175.426 . . . . . . . A 553 MET C . 30436 1 2 . 1 1 1 1 MET CA C 13 55.239 . . . . . . . A 553 MET CA . 30436 1 3 . 1 1 1 1 MET CB C 13 32.407 . . . . . . . A 553 MET CB . 30436 1 4 . 1 1 2 2 VAL H H 1 8.337 . . . . . . . A 554 VAL H . 30436 1 5 . 1 1 2 2 VAL C C 13 175.363 . . . . . . . A 554 VAL C . 30436 1 6 . 1 1 2 2 VAL CA C 13 61.679 . . . . . . . A 554 VAL CA . 30436 1 7 . 1 1 2 2 VAL CB C 13 32.993 . . . . . . . A 554 VAL CB . 30436 1 8 . 1 1 2 2 VAL N N 15 123.726 . . . . . . . A 554 VAL N . 30436 1 9 . 1 1 3 3 PRO C C 13 177.186 . . . . . . . A 555 PRO C . 30436 1 10 . 1 1 3 3 PRO CA C 13 63.435 . . . . . . . A 555 PRO CA . 30436 1 11 . 1 1 3 3 PRO CB C 13 31.236 . . . . . . . A 555 PRO CB . 30436 1 12 . 1 1 4 4 GLY H H 1 8.796 . . . . . . . A 556 GLY H . 30436 1 13 . 1 1 4 4 GLY C C 13 174.279 . . . . . . . A 556 GLY C . 30436 1 14 . 1 1 4 4 GLY CA C 13 45.287 . . . . . . . A 556 GLY CA . 30436 1 15 . 1 1 4 4 GLY N N 15 109.939 . . . . . . . A 556 GLY N . 30436 1 16 . 1 1 5 5 ARG H H 1 7.959 . . . . . . . A 557 ARG H . 30436 1 17 . 1 1 5 5 ARG C C 13 175.240 . . . . . . . A 557 ARG C . 30436 1 18 . 1 1 5 5 ARG CA C 13 55.824 . . . . . . . A 557 ARG CA . 30436 1 19 . 1 1 5 5 ARG CB C 13 31.822 . . . . . . . A 557 ARG CB . 30436 1 20 . 1 1 5 5 ARG N N 15 120.661 . . . . . . . A 557 ARG N . 30436 1 21 . 1 1 6 6 SER H H 1 8.387 . . . . . . . A 558 SER H . 30436 1 22 . 1 1 6 6 SER C C 13 172.827 . . . . . . . A 558 SER C . 30436 1 23 . 1 1 6 6 SER CA C 13 57.581 . . . . . . . A 558 SER CA . 30436 1 24 . 1 1 6 6 SER CB C 13 64.606 . . . . . . . A 558 SER CB . 30436 1 25 . 1 1 6 6 SER N N 15 116.458 . . . . . . . A 558 SER N . 30436 1 26 . 1 1 7 7 PHE H H 1 8.825 . . . . . . . A 559 PHE H . 30436 1 27 . 1 1 7 7 PHE C C 13 174.252 . . . . . . . A 559 PHE C . 30436 1 28 . 1 1 7 7 PHE CA C 13 56.995 . . . . . . . A 559 PHE CA . 30436 1 29 . 1 1 7 7 PHE CB C 13 44.701 . . . . . . . A 559 PHE CB . 30436 1 30 . 1 1 7 7 PHE N N 15 120.810 . . . . . . . A 559 PHE N . 30436 1 31 . 1 1 8 8 MET H H 1 9.256 . . . . . . . A 560 MET H . 30436 1 32 . 1 1 8 8 MET C C 13 175.431 . . . . . . . A 560 MET C . 30436 1 33 . 1 1 8 8 MET CA C 13 53.483 . . . . . . . A 560 MET CA . 30436 1 34 . 1 1 8 8 MET CB C 13 35.334 . . . . . . . A 560 MET CB . 30436 1 35 . 1 1 8 8 MET N N 15 120.205 . . . . . . . A 560 MET N . 30436 1 36 . 1 1 9 9 ALA H H 1 8.940 . . . . . . . A 561 ALA H . 30436 1 37 . 1 1 9 9 ALA C C 13 178.491 . . . . . . . A 561 ALA C . 30436 1 38 . 1 1 9 9 ALA CA C 13 51.726 . . . . . . . A 561 ALA CA . 30436 1 39 . 1 1 9 9 ALA CB C 13 17.772 . . . . . . . A 561 ALA CB . 30436 1 40 . 1 1 9 9 ALA N N 15 125.963 . . . . . . . A 561 ALA N . 30436 1 41 . 1 1 10 10 VAL H H 1 9.154 . . . . . . . A 562 VAL H . 30436 1 42 . 1 1 10 10 VAL C C 13 174.571 . . . . . . . A 562 VAL C . 30436 1 43 . 1 1 10 10 VAL CA C 13 61.093 . . . . . . . A 562 VAL CA . 30436 1 44 . 1 1 10 10 VAL CB C 13 31.822 . . . . . . . A 562 VAL CB . 30436 1 45 . 1 1 10 10 VAL N N 15 121.450 . . . . . . . A 562 VAL N . 30436 1 46 . 1 1 11 11 LYS H H 1 7.751 . . . . . . . A 563 LYS H . 30436 1 47 . 1 1 11 11 LYS C C 13 173.829 . . . . . . . A 563 LYS C . 30436 1 48 . 1 1 11 11 LYS CA C 13 54.653 . . . . . . . A 563 LYS CA . 30436 1 49 . 1 1 11 11 LYS CB C 13 35.920 . . . . . . . A 563 LYS CB . 30436 1 50 . 1 1 11 11 LYS N N 15 120.116 . . . . . . . A 563 LYS N . 30436 1 51 . 1 1 12 12 SER H H 1 8.278 . . . . . . . A 564 SER H . 30436 1 52 . 1 1 12 12 SER C C 13 173.062 . . . . . . . A 564 SER C . 30436 1 53 . 1 1 12 12 SER CA C 13 57.581 . . . . . . . A 564 SER CA . 30436 1 54 . 1 1 12 12 SER CB C 13 64.332 . . . . . . . A 564 SER CB . 30436 1 55 . 1 1 12 12 SER N N 15 113.967 . . . . . . . A 564 SER N . 30436 1 56 . 1 1 13 13 TYR H H 1 8.927 . . . . . . . A 565 TYR H . 30436 1 57 . 1 1 13 13 TYR C C 13 173.974 . . . . . . . A 565 TYR C . 30436 1 58 . 1 1 13 13 TYR CA C 13 58.751 . . . . . . . A 565 TYR CA . 30436 1 59 . 1 1 13 13 TYR CB C 13 42.945 . . . . . . . A 565 TYR CB . 30436 1 60 . 1 1 13 13 TYR N N 15 121.511 . . . . . . . A 565 TYR N . 30436 1 61 . 1 1 14 14 GLN H H 1 7.535 . . . . . . . A 566 GLN H . 30436 1 62 . 1 1 14 14 GLN C C 13 173.218 . . . . . . . A 566 GLN C . 30436 1 63 . 1 1 14 14 GLN CA C 13 52.897 . . . . . . . A 566 GLN CA . 30436 1 64 . 1 1 14 14 GLN CB C 13 28.976 . . . . . . . A 566 GLN CB . 30436 1 65 . 1 1 14 14 GLN N N 15 128.429 . . . . . . . A 566 GLN N . 30436 1 66 . 1 1 15 15 ALA H H 1 8.302 . . . . . . . A 567 ALA H . 30436 1 67 . 1 1 15 15 ALA C C 13 178.694 . . . . . . . A 567 ALA C . 30436 1 68 . 1 1 15 15 ALA CA C 13 53.483 . . . . . . . A 567 ALA CA . 30436 1 69 . 1 1 15 15 ALA CB C 13 19.528 . . . . . . . A 567 ALA CB . 30436 1 70 . 1 1 15 15 ALA N N 15 127.480 . . . . . . . A 567 ALA N . 30436 1 71 . 1 1 16 16 GLN H H 1 9.113 . . . . . . . A 568 GLN H . 30436 1 72 . 1 1 16 16 GLN C C 13 174.677 . . . . . . . A 568 GLN C . 30436 1 73 . 1 1 16 16 GLN CA C 13 55.239 . . . . . . . A 568 GLN CA . 30436 1 74 . 1 1 16 16 GLN CB C 13 31.236 . . . . . . . A 568 GLN CB . 30436 1 75 . 1 1 16 16 GLN N N 15 120.199 . . . . . . . A 568 GLN N . 30436 1 76 . 1 1 17 17 ALA H H 1 7.216 . . . . . . . A 569 ALA H . 30436 1 77 . 1 1 17 17 ALA C C 13 177.014 . . . . . . . A 569 ALA C . 30436 1 78 . 1 1 17 17 ALA CA C 13 50.555 . . . . . . . A 569 ALA CA . 30436 1 79 . 1 1 17 17 ALA CB C 13 21.869 . . . . . . . A 569 ALA CB . 30436 1 80 . 1 1 17 17 ALA N N 15 120.538 . . . . . . . A 569 ALA N . 30436 1 81 . 1 1 18 18 GLU H H 1 8.743 . . . . . . . A 570 GLU H . 30436 1 82 . 1 1 18 18 GLU C C 13 177.369 . . . . . . . A 570 GLU C . 30436 1 83 . 1 1 18 18 GLU CA C 13 58.166 . . . . . . . A 570 GLU CA . 30436 1 84 . 1 1 18 18 GLU CB C 13 29.480 . . . . . . . A 570 GLU CB . 30436 1 85 . 1 1 18 18 GLU N N 15 121.703 . . . . . . . A 570 GLU N . 30436 1 86 . 1 1 19 19 GLY H H 1 9.018 . . . . . . . A 571 GLY H . 30436 1 87 . 1 1 19 19 GLY C C 13 175.043 . . . . . . . A 571 GLY C . 30436 1 88 . 1 1 19 19 GLY CA C 13 45.287 . . . . . . . A 571 GLY CA . 30436 1 89 . 1 1 19 19 GLY N N 15 113.288 . . . . . . . A 571 GLY N . 30436 1 90 . 1 1 20 20 GLU H H 1 7.796 . . . . . . . A 572 GLU H . 30436 1 91 . 1 1 20 20 GLU C C 13 177.391 . . . . . . . A 572 GLU C . 30436 1 92 . 1 1 20 20 GLU CA C 13 55.824 . . . . . . . A 572 GLU CA . 30436 1 93 . 1 1 20 20 GLU CB C 13 32.407 . . . . . . . A 572 GLU CB . 30436 1 94 . 1 1 20 20 GLU N N 15 118.837 . . . . . . . A 572 GLU N . 30436 1 95 . 1 1 21 21 ILE H H 1 8.647 . . . . . . . A 573 ILE H . 30436 1 96 . 1 1 21 21 ILE C C 13 173.827 . . . . . . . A 573 ILE C . 30436 1 97 . 1 1 21 21 ILE CA C 13 59.337 . . . . . . . A 573 ILE CA . 30436 1 98 . 1 1 21 21 ILE CB C 13 41.189 . . . . . . . A 573 ILE CB . 30436 1 99 . 1 1 21 21 ILE N N 15 115.042 . . . . . . . A 573 ILE N . 30436 1 100 . 1 1 22 22 SER H H 1 8.018 . . . . . . . A 574 SER H . 30436 1 101 . 1 1 22 22 SER C C 13 173.619 . . . . . . . A 574 SER C . 30436 1 102 . 1 1 22 22 SER CA C 13 57.581 . . . . . . . A 574 SER CA . 30436 1 103 . 1 1 22 22 SER CB C 13 64.020 . . . . . . . A 574 SER CB . 30436 1 104 . 1 1 22 22 SER N N 15 114.959 . . . . . . . A 574 SER N . 30436 1 105 . 1 1 23 23 LEU H H 1 9.285 . . . . . . . A 575 LEU H . 30436 1 106 . 1 1 23 23 LEU C C 13 177.069 . . . . . . . A 575 LEU C . 30436 1 107 . 1 1 23 23 LEU CA C 13 53.483 . . . . . . . A 575 LEU CA . 30436 1 108 . 1 1 23 23 LEU CB C 13 46.457 . . . . . . . A 575 LEU CB . 30436 1 109 . 1 1 23 23 LEU N N 15 120.075 . . . . . . . A 575 LEU N . 30436 1 110 . 1 1 24 24 SER H H 1 9.029 . . . . . . . A 576 SER H . 30436 1 111 . 1 1 24 24 SER C C 13 172.799 . . . . . . . A 576 SER C . 30436 1 112 . 1 1 24 24 SER CA C 13 56.410 . . . . . . . A 576 SER CA . 30436 1 113 . 1 1 24 24 SER CB C 13 64.218 . . . . . . . A 576 SER CB . 30436 1 114 . 1 1 24 24 SER N N 15 119.068 . . . . . . . A 576 SER N . 30436 1 115 . 1 1 25 25 LYS H H 1 8.246 . . . . . . . A 577 LYS H . 30436 1 116 . 1 1 25 25 LYS C C 13 177.104 . . . . . . . A 577 LYS C . 30436 1 117 . 1 1 25 25 LYS CA C 13 58.751 . . . . . . . A 577 LYS CA . 30436 1 118 . 1 1 25 25 LYS CB C 13 32.407 . . . . . . . A 577 LYS CB . 30436 1 119 . 1 1 25 25 LYS N N 15 124.147 . . . . . . . A 577 LYS N . 30436 1 120 . 1 1 26 26 GLY H H 1 9.064 . . . . . . . A 578 GLY H . 30436 1 121 . 1 1 26 26 GLY C C 13 174.341 . . . . . . . A 578 GLY C . 30436 1 122 . 1 1 26 26 GLY CA C 13 44.701 . . . . . . . A 578 GLY CA . 30436 1 123 . 1 1 26 26 GLY N N 15 114.471 . . . . . . . A 578 GLY N . 30436 1 124 . 1 1 27 27 GLU H H 1 7.809 . . . . . . . A 579 GLU H . 30436 1 125 . 1 1 27 27 GLU C C 13 174.970 . . . . . . . A 579 GLU C . 30436 1 126 . 1 1 27 27 GLU CA C 13 56.995 . . . . . . . A 579 GLU CA . 30436 1 127 . 1 1 27 27 GLU CB C 13 30.651 . . . . . . . A 579 GLU CB . 30436 1 128 . 1 1 27 27 GLU N N 15 119.939 . . . . . . . A 579 GLU N . 30436 1 129 . 1 1 28 28 LYS H H 1 8.390 . . . . . . . A 580 LYS H . 30436 1 130 . 1 1 28 28 LYS C C 13 175.811 . . . . . . . A 580 LYS C . 30436 1 131 . 1 1 28 28 LYS CA C 13 55.824 . . . . . . . A 580 LYS CA . 30436 1 132 . 1 1 28 28 LYS CB C 13 32.993 . . . . . . . A 580 LYS CB . 30436 1 133 . 1 1 28 28 LYS N N 15 121.657 . . . . . . . A 580 LYS N . 30436 1 134 . 1 1 29 29 ILE H H 1 8.766 . . . . . . . A 581 ILE H . 30436 1 135 . 1 1 29 29 ILE C C 13 174.987 . . . . . . . A 581 ILE C . 30436 1 136 . 1 1 29 29 ILE CA C 13 59.337 . . . . . . . A 581 ILE CA . 30436 1 137 . 1 1 29 29 ILE CB C 13 41.189 . . . . . . . A 581 ILE CB . 30436 1 138 . 1 1 29 29 ILE N N 15 124.779 . . . . . . . A 581 ILE N . 30436 1 139 . 1 1 30 30 LYS H H 1 8.196 . . . . . . . A 582 LYS H . 30436 1 140 . 1 1 30 30 LYS C C 13 175.712 . . . . . . . A 582 LYS C . 30436 1 141 . 1 1 30 30 LYS CA C 13 54.653 . . . . . . . A 582 LYS CA . 30436 1 142 . 1 1 30 30 LYS CB C 13 33.578 . . . . . . . A 582 LYS CB . 30436 1 143 . 1 1 30 30 LYS N N 15 127.554 . . . . . . . A 582 LYS N . 30436 1 144 . 1 1 31 31 VAL H H 1 8.894 . . . . . . . A 583 VAL H . 30436 1 145 . 1 1 31 31 VAL C C 13 175.282 . . . . . . . A 583 VAL C . 30436 1 146 . 1 1 31 31 VAL CA C 13 64.020 . . . . . . . A 583 VAL CA . 30436 1 147 . 1 1 31 31 VAL CB C 13 31.822 . . . . . . . A 583 VAL CB . 30436 1 148 . 1 1 31 31 VAL N N 15 128.402 . . . . . . . A 583 VAL N . 30436 1 149 . 1 1 32 32 LEU H H 1 9.551 . . . . . . . A 584 LEU H . 30436 1 150 . 1 1 32 32 LEU C C 13 177.451 . . . . . . . A 584 LEU C . 30436 1 151 . 1 1 32 32 LEU CA C 13 55.239 . . . . . . . A 584 LEU CA . 30436 1 152 . 1 1 32 32 LEU CB C 13 43.530 . . . . . . . A 584 LEU CB . 30436 1 153 . 1 1 32 32 LEU N N 15 128.246 . . . . . . . A 584 LEU N . 30436 1 154 . 1 1 33 33 SER H H 1 7.668 . . . . . . . A 585 SER H . 30436 1 155 . 1 1 33 33 SER C C 13 171.062 . . . . . . . A 585 SER C . 30436 1 156 . 1 1 33 33 SER CA C 13 57.633 . . . . . . . A 585 SER CA . 30436 1 157 . 1 1 33 33 SER CB C 13 64.606 . . . . . . . A 585 SER CB . 30436 1 158 . 1 1 33 33 SER N N 15 111.589 . . . . . . . A 585 SER N . 30436 1 159 . 1 1 34 34 ILE H H 1 8.367 . . . . . . . A 586 ILE H . 30436 1 160 . 1 1 34 34 ILE C C 13 176.332 . . . . . . . A 586 ILE C . 30436 1 161 . 1 1 34 34 ILE CA C 13 60.508 . . . . . . . A 586 ILE CA . 30436 1 162 . 1 1 34 34 ILE CB C 13 38.261 . . . . . . . A 586 ILE CB . 30436 1 163 . 1 1 34 34 ILE N N 15 121.153 . . . . . . . A 586 ILE N . 30436 1 164 . 1 1 35 35 GLY H H 1 8.058 . . . . . . . A 587 GLY H . 30436 1 165 . 1 1 35 35 GLY C C 13 173.818 . . . . . . . A 587 GLY C . 30436 1 166 . 1 1 35 35 GLY CA C 13 44.701 . . . . . . . A 587 GLY CA . 30436 1 167 . 1 1 35 35 GLY N N 15 114.680 . . . . . . . A 587 GLY N . 30436 1 168 . 1 1 36 36 GLU H H 1 8.504 . . . . . . . A 588 GLU H . 30436 1 169 . 1 1 36 36 GLU C C 13 178.427 . . . . . . . A 588 GLU C . 30436 1 170 . 1 1 36 36 GLU CA C 13 55.824 . . . . . . . A 588 GLU CA . 30436 1 171 . 1 1 36 36 GLU CB C 13 30.651 . . . . . . . A 588 GLU CB . 30436 1 172 . 1 1 36 36 GLU N N 15 119.997 . . . . . . . A 588 GLU N . 30436 1 173 . 1 1 37 37 GLY H H 1 8.981 . . . . . . . A 589 GLY H . 30436 1 174 . 1 1 37 37 GLY C C 13 175.317 . . . . . . . A 589 GLY C . 30436 1 175 . 1 1 37 37 GLY CA C 13 46.457 . . . . . . . A 589 GLY CA . 30436 1 176 . 1 1 37 37 GLY N N 15 109.301 . . . . . . . A 589 GLY N . 30436 1 177 . 1 1 38 38 GLY H H 1 8.634 . . . . . . . A 590 GLY H . 30436 1 178 . 1 1 38 38 GLY C C 13 173.829 . . . . . . . A 590 GLY C . 30436 1 179 . 1 1 38 38 GLY CA C 13 44.701 . . . . . . . A 590 GLY CA . 30436 1 180 . 1 1 38 38 GLY N N 15 106.984 . . . . . . . A 590 GLY N . 30436 1 181 . 1 1 39 39 PHE H H 1 7.686 . . . . . . . A 591 PHE H . 30436 1 182 . 1 1 39 39 PHE C C 13 174.973 . . . . . . . A 591 PHE C . 30436 1 183 . 1 1 39 39 PHE CA C 13 57.581 . . . . . . . A 591 PHE CA . 30436 1 184 . 1 1 39 39 PHE CB C 13 40.603 . . . . . . . A 591 PHE CB . 30436 1 185 . 1 1 39 39 PHE N N 15 120.477 . . . . . . . A 591 PHE N . 30436 1 186 . 1 1 40 40 TRP H H 1 8.998 . . . . . . . A 592 TRP H . 30436 1 187 . 1 1 40 40 TRP C C 13 171.759 . . . . . . . A 592 TRP C . 30436 1 188 . 1 1 40 40 TRP CA C 13 52.897 . . . . . . . A 592 TRP CA . 30436 1 189 . 1 1 40 40 TRP CB C 13 32.993 . . . . . . . A 592 TRP CB . 30436 1 190 . 1 1 40 40 TRP N N 15 123.241 . . . . . . . A 592 TRP N . 30436 1 191 . 1 1 41 41 GLU H H 1 8.293 . . . . . . . A 593 GLU H . 30436 1 192 . 1 1 41 41 GLU C C 13 177.122 . . . . . . . A 593 GLU C . 30436 1 193 . 1 1 41 41 GLU CA C 13 52.897 . . . . . . . A 593 GLU CA . 30436 1 194 . 1 1 41 41 GLU CB C 13 31.236 . . . . . . . A 593 GLU CB . 30436 1 195 . 1 1 41 41 GLU N N 15 122.317 . . . . . . . A 593 GLU N . 30436 1 196 . 1 1 42 42 GLY H H 1 9.366 . . . . . . . A 594 GLY H . 30436 1 197 . 1 1 42 42 GLY C C 13 169.198 . . . . . . . A 594 GLY C . 30436 1 198 . 1 1 42 42 GLY CA C 13 45.460 . . . . . . . A 594 GLY CA . 30436 1 199 . 1 1 42 42 GLY N N 15 114.351 . . . . . . . A 594 GLY N . 30436 1 200 . 1 1 43 43 GLN H H 1 8.976 . . . . . . . A 595 GLN H . 30436 1 201 . 1 1 43 43 GLN C C 13 175.295 . . . . . . . A 595 GLN C . 30436 1 202 . 1 1 43 43 GLN CA C 13 53.483 . . . . . . . A 595 GLN CA . 30436 1 203 . 1 1 43 43 GLN CB C 13 32.407 . . . . . . . A 595 GLN CB . 30436 1 204 . 1 1 43 43 GLN N N 15 118.039 . . . . . . . A 595 GLN N . 30436 1 205 . 1 1 44 44 VAL H H 1 9.067 . . . . . . . A 596 VAL H . 30436 1 206 . 1 1 44 44 VAL C C 13 174.232 . . . . . . . A 596 VAL C . 30436 1 207 . 1 1 44 44 VAL CA C 13 60.508 . . . . . . . A 596 VAL CA . 30436 1 208 . 1 1 44 44 VAL CB C 13 33.578 . . . . . . . A 596 VAL CB . 30436 1 209 . 1 1 44 44 VAL N N 15 126.855 . . . . . . . A 596 VAL N . 30436 1 210 . 1 1 45 45 LYS H H 1 9.328 . . . . . . . A 597 LYS H . 30436 1 211 . 1 1 45 45 LYS C C 13 176.467 . . . . . . . A 597 LYS C . 30436 1 212 . 1 1 45 45 LYS CA C 13 57.581 . . . . . . . A 597 LYS CA . 30436 1 213 . 1 1 45 45 LYS CB C 13 30.651 . . . . . . . A 597 LYS CB . 30436 1 214 . 1 1 45 45 LYS N N 15 126.429 . . . . . . . A 597 LYS N . 30436 1 215 . 1 1 46 46 GLY H H 1 8.627 . . . . . . . A 598 GLY H . 30436 1 216 . 1 1 46 46 GLY C C 13 174.044 . . . . . . . A 598 GLY C . 30436 1 217 . 1 1 46 46 GLY CA C 13 45.287 . . . . . . . A 598 GLY CA . 30436 1 218 . 1 1 46 46 GLY N N 15 107.293 . . . . . . . A 598 GLY N . 30436 1 219 . 1 1 47 47 ARG H H 1 8.411 . . . . . . . A 599 ARG H . 30436 1 220 . 1 1 47 47 ARG C C 13 174.361 . . . . . . . A 599 ARG C . 30436 1 221 . 1 1 47 47 ARG CA C 13 55.239 . . . . . . . A 599 ARG CA . 30436 1 222 . 1 1 47 47 ARG CB C 13 31.236 . . . . . . . A 599 ARG CB . 30436 1 223 . 1 1 47 47 ARG N N 15 122.521 . . . . . . . A 599 ARG N . 30436 1 224 . 1 1 48 48 VAL H H 1 8.262 . . . . . . . A 600 VAL H . 30436 1 225 . 1 1 48 48 VAL C C 13 175.861 . . . . . . . A 600 VAL C . 30436 1 226 . 1 1 48 48 VAL CA C 13 59.922 . . . . . . . A 600 VAL CA . 30436 1 227 . 1 1 48 48 VAL CB C 13 34.749 . . . . . . . A 600 VAL CB . 30436 1 228 . 1 1 48 48 VAL N N 15 121.262 . . . . . . . A 600 VAL N . 30436 1 229 . 1 1 49 49 GLY H H 1 8.696 . . . . . . . A 601 GLY H . 30436 1 230 . 1 1 49 49 GLY C C 13 170.779 . . . . . . . A 601 GLY C . 30436 1 231 . 1 1 49 49 GLY CA C 13 45.872 . . . . . . . A 601 GLY CA . 30436 1 232 . 1 1 49 49 GLY N N 15 113.110 . . . . . . . A 601 GLY N . 30436 1 233 . 1 1 50 50 TRP H H 1 8.600 . . . . . . . A 602 TRP H . 30436 1 234 . 1 1 50 50 TRP C C 13 176.320 . . . . . . . A 602 TRP C . 30436 1 235 . 1 1 50 50 TRP CA C 13 56.995 . . . . . . . A 602 TRP CA . 30436 1 236 . 1 1 50 50 TRP CB C 13 31.822 . . . . . . . A 602 TRP CB . 30436 1 237 . 1 1 50 50 TRP N N 15 120.595 . . . . . . . A 602 TRP N . 30436 1 238 . 1 1 51 51 PHE H H 1 8.816 . . . . . . . A 603 PHE H . 30436 1 239 . 1 1 51 51 PHE C C 13 171.103 . . . . . . . A 603 PHE C . 30436 1 240 . 1 1 51 51 PHE CA C 13 55.824 . . . . . . . A 603 PHE CA . 30436 1 241 . 1 1 51 51 PHE CB C 13 38.261 . . . . . . . A 603 PHE CB . 30436 1 242 . 1 1 51 51 PHE N N 15 115.661 . . . . . . . A 603 PHE N . 30436 1 243 . 1 1 52 52 PRO C C 13 178.349 . . . . . . . A 604 PRO C . 30436 1 244 . 1 1 52 52 PRO CA C 13 62.264 . . . . . . . A 604 PRO CA . 30436 1 245 . 1 1 52 52 PRO CB C 13 31.236 . . . . . . . A 604 PRO CB . 30436 1 246 . 1 1 53 53 SER H H 1 8.312 . . . . . . . A 605 SER H . 30436 1 247 . 1 1 53 53 SER C C 13 175.528 . . . . . . . A 605 SER C . 30436 1 248 . 1 1 53 53 SER CA C 13 59.443 . . . . . . . A 605 SER CA . 30436 1 249 . 1 1 53 53 SER CB C 13 60.694 . . . . . . . A 605 SER CB . 30436 1 250 . 1 1 53 53 SER N N 15 121.310 . . . . . . . A 605 SER N . 30436 1 251 . 1 1 54 54 ASP H H 1 7.864 . . . . . . . A 606 ASP H . 30436 1 252 . 1 1 54 54 ASP C C 13 176.821 . . . . . . . A 606 ASP C . 30436 1 253 . 1 1 54 54 ASP CA C 13 54.653 . . . . . . . A 606 ASP CA . 30436 1 254 . 1 1 54 54 ASP CB C 13 39.432 . . . . . . . A 606 ASP CB . 30436 1 255 . 1 1 54 54 ASP N N 15 119.864 . . . . . . . A 606 ASP N . 30436 1 256 . 1 1 55 55 CYS H H 1 7.478 . . . . . . . A 607 CYS H . 30436 1 257 . 1 1 55 55 CYS C C 13 173.934 . . . . . . . A 607 CYS C . 30436 1 258 . 1 1 55 55 CYS CA C 13 61.093 . . . . . . . A 607 CYS CA . 30436 1 259 . 1 1 55 55 CYS CB C 13 27.724 . . . . . . . A 607 CYS CB . 30436 1 260 . 1 1 55 55 CYS N N 15 114.331 . . . . . . . A 607 CYS N . 30436 1 261 . 1 1 56 56 LEU H H 1 7.570 . . . . . . . A 608 LEU H . 30436 1 262 . 1 1 56 56 LEU C C 13 176.377 . . . . . . . A 608 LEU C . 30436 1 263 . 1 1 56 56 LEU CA C 13 54.068 . . . . . . . A 608 LEU CA . 30436 1 264 . 1 1 56 56 LEU CB C 13 44.701 . . . . . . . A 608 LEU CB . 30436 1 265 . 1 1 56 56 LEU N N 15 118.313 . . . . . . . A 608 LEU N . 30436 1 266 . 1 1 57 57 GLU H H 1 8.692 . . . . . . . A 609 GLU H . 30436 1 267 . 1 1 57 57 GLU C C 13 174.755 . . . . . . . A 609 GLU C . 30436 1 268 . 1 1 57 57 GLU CA C 13 55.239 . . . . . . . A 609 GLU CA . 30436 1 269 . 1 1 57 57 GLU CB C 13 32.993 . . . . . . . A 609 GLU CB . 30436 1 270 . 1 1 57 57 GLU N N 15 118.912 . . . . . . . A 609 GLU N . 30436 1 271 . 1 1 58 58 GLU H H 1 8.807 . . . . . . . A 610 GLU H . 30436 1 272 . 1 1 58 58 GLU C C 13 176.324 . . . . . . . A 610 GLU C . 30436 1 273 . 1 1 58 58 GLU CA C 13 56.995 . . . . . . . A 610 GLU CA . 30436 1 274 . 1 1 58 58 GLU CB C 13 30.065 . . . . . . . A 610 GLU CB . 30436 1 275 . 1 1 58 58 GLU N N 15 124.487 . . . . . . . A 610 GLU N . 30436 1 276 . 1 1 59 59 VAL H H 1 8.178 . . . . . . . A 611 VAL H . 30436 1 277 . 1 1 59 59 VAL C C 13 175.211 . . . . . . . A 611 VAL C . 30436 1 278 . 1 1 59 59 VAL CA C 13 61.093 . . . . . . . A 611 VAL CA . 30436 1 279 . 1 1 59 59 VAL CB C 13 32.993 . . . . . . . A 611 VAL CB . 30436 1 280 . 1 1 59 59 VAL N N 15 122.453 . . . . . . . A 611 VAL N . 30436 1 281 . 1 1 60 60 ALA H H 1 8.428 . . . . . . . A 612 ALA H . 30436 1 282 . 1 1 60 60 ALA C C 13 176.673 . . . . . . . A 612 ALA C . 30436 1 283 . 1 1 60 60 ALA CA C 13 52.312 . . . . . . . A 612 ALA CA . 30436 1 284 . 1 1 60 60 ALA CB C 13 18.942 . . . . . . . A 612 ALA CB . 30436 1 285 . 1 1 60 60 ALA N N 15 128.065 . . . . . . . A 612 ALA N . 30436 1 286 . 1 1 61 61 ASN H H 1 7.989 . . . . . . . A 613 ASN H . 30436 1 287 . 1 1 61 61 ASN C C 13 179.528 . . . . . . . A 613 ASN C . 30436 1 288 . 1 1 61 61 ASN CA C 13 54.653 . . . . . . . A 613 ASN CA . 30436 1 289 . 1 1 61 61 ASN CB C 13 40.603 . . . . . . . A 613 ASN CB . 30436 1 290 . 1 1 61 61 ASN N N 15 123.589 . . . . . . . A 613 ASN N . 30436 1 stop_ save_