################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 15447 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _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' . . . 15447 1 4 '2D 1H-1H NOESY' . . . 15447 1 5 '3D 1H-15N NOESY' . . . 15447 1 6 '3D 1H-15N TOCSY' . . . 15447 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 GLN HE21 H 1 6.835 0.01 . 2 . . . . 486 GLN HE21 . 15447 1 2 . 1 1 2 2 GLN HE22 H 1 7.43 0.01 . 2 . . . . 486 GLN HE22 . 15447 1 3 . 1 1 2 2 GLN NE2 N 15 112.352 0.08 . 1 . . . . 486 GLN NE2 . 15447 1 4 . 1 1 3 3 CYS H H 1 8.895 0.01 . 1 . . . . 487 CYS H . 15447 1 5 . 1 1 3 3 CYS N N 15 116.012 0.08 . 1 . . . . 487 CYS N . 15447 1 6 . 1 1 4 4 ILE H H 1 8.913 0.01 . 1 . . . . 488 ILE H . 15447 1 7 . 1 1 4 4 ILE N N 15 125.371 0.08 . 1 . . . . 488 ILE N . 15447 1 8 . 1 1 5 5 VAL H H 1 8.587 0.01 . 1 . . . . 489 VAL H . 15447 1 9 . 1 1 5 5 VAL N N 15 127.966 0.08 . 1 . . . . 489 VAL N . 15447 1 10 . 1 1 6 6 ASP H H 1 9.14 0.01 . 1 . . . . 490 ASP H . 15447 1 11 . 1 1 6 6 ASP N N 15 129.131 0.08 . 1 . . . . 490 ASP N . 15447 1 12 . 1 1 7 7 ASP H H 1 8.249 0.01 . 1 . . . . 491 ASP H . 15447 1 13 . 1 1 7 7 ASP N N 15 109.863 0.08 . 1 . . . . 491 ASP N . 15447 1 14 . 1 1 8 8 ILE H H 1 7.727 0.01 . 1 . . . . 492 ILE H . 15447 1 15 . 1 1 8 8 ILE N N 15 123.703 0.08 . 1 . . . . 492 ILE N . 15447 1 16 . 1 1 9 9 THR H H 1 7.79 0.01 . 1 . . . . 493 THR H . 15447 1 17 . 1 1 10 10 TYR H H 1 9.197 0.01 . 1 . . . . 494 TYR H . 15447 1 18 . 1 1 10 10 TYR N N 15 125.774 0.08 . 1 . . . . 494 TYR N . 15447 1 19 . 1 1 11 11 ASN H H 1 9.1 0.01 . 1 . . . . 495 ASN H . 15447 1 20 . 1 1 11 11 ASN HD21 H 1 7.029 0.01 . 2 . . . . 495 ASN HD21 . 15447 1 21 . 1 1 11 11 ASN HD22 H 1 8.09 0.01 . 2 . . . . 495 ASN HD22 . 15447 1 22 . 1 1 11 11 ASN N N 15 119.357 0.08 . 1 . . . . 495 ASN N . 15447 1 23 . 1 1 11 11 ASN ND2 N 15 115.793 0.08 . 1 . . . . 495 ASN ND2 . 15447 1 24 . 1 1 12 12 VAL H H 1 8.531 0.01 . 1 . . . . 496 VAL H . 15447 1 25 . 1 1 12 12 VAL N N 15 120.709 0.08 . 1 . . . . 496 VAL N . 15447 1 26 . 1 1 13 13 ASN H H 1 9.178 0.01 . 1 . . . . 497 ASN H . 15447 1 27 . 1 1 13 13 ASN HD21 H 1 7.679 0.01 . 2 . . . . 497 ASN HD21 . 15447 1 28 . 1 1 13 13 ASN HD22 H 1 6.943 0.01 . 2 . . . . 497 ASN HD22 . 15447 1 29 . 1 1 13 13 ASN N N 15 119.455 0.08 . 1 . . . . 497 ASN N . 15447 1 30 . 1 1 13 13 ASN ND2 N 15 113.506 0.08 . 1 . . . . 497 ASN ND2 . 15447 1 31 . 1 1 14 14 ASP H H 1 8.305 0.01 . 1 . . . . 498 ASP H . 15447 1 32 . 1 1 14 14 ASP N N 15 121.377 0.08 . 1 . . . . 498 ASP N . 15447 1 33 . 1 1 15 15 THR H H 1 8.112 0.01 . 1 . . . . 499 THR H . 15447 1 34 . 1 1 15 15 THR N N 15 109.947 0.08 . 1 . . . . 499 THR N . 15447 1 35 . 1 1 16 16 PHE H H 1 7.839 0.01 . 1 . . . . 500 PHE H . 15447 1 36 . 1 1 16 16 PHE N N 15 115.987 0.08 . 1 . . . . 500 PHE N . 15447 1 37 . 1 1 17 17 HIS H H 1 8.747 0.01 . 1 . . . . 501 HIS H . 15447 1 38 . 1 1 17 17 HIS N N 15 119.168 0.08 . 1 . . . . 501 HIS N . 15447 1 39 . 1 1 18 18 LYS H H 1 8.237 0.01 . 1 . . . . 502 LYS H . 15447 1 40 . 1 1 18 18 LYS N N 15 121.242 0.08 . 1 . . . . 502 LYS N . 15447 1 41 . 1 1 19 19 LYS H H 1 8.713 0.01 . 1 . . . . 503 LYS H . 15447 1 42 . 1 1 19 19 LYS N N 15 125.43 0.08 . 1 . . . . 503 LYS N . 15447 1 43 . 1 1 20 20 HIS H H 1 9.065 0.01 . 1 . . . . 504 HIS H . 15447 1 44 . 1 1 20 20 HIS N N 15 128.416 0.08 . 1 . . . . 504 HIS N . 15447 1 45 . 1 1 21 21 GLU H H 1 8.561 0.01 . 1 . . . . 505 GLU H . 15447 1 46 . 1 1 21 21 GLU N N 15 129.745 0.08 . 1 . . . . 505 GLU N . 15447 1 47 . 1 1 23 23 GLY H H 1 8.127 0.01 . 1 . . . . 507 GLY H . 15447 1 48 . 1 1 23 23 GLY N N 15 105.628 0.08 . 1 . . . . 507 GLY N . 15447 1 49 . 1 1 24 24 HIS H H 1 7.438 0.01 . 1 . . . . 508 HIS H . 15447 1 50 . 1 1 24 24 HIS N N 15 117.461 0.08 . 1 . . . . 508 HIS N . 15447 1 51 . 1 1 25 25 MET H H 1 8.887 0.01 . 1 . . . . 509 MET H . 15447 1 52 . 1 1 25 25 MET N N 15 119.157 0.08 . 1 . . . . 509 MET N . 15447 1 53 . 1 1 26 26 LEU H H 1 8.877 0.01 . 1 . . . . 510 LEU H . 15447 1 54 . 1 1 26 26 LEU N N 15 122.899 0.08 . 1 . . . . 510 LEU N . 15447 1 55 . 1 1 27 27 ASN H H 1 9.461 0.01 . 1 . . . . 511 ASN H . 15447 1 56 . 1 1 27 27 ASN HD22 H 1 8.464 0.01 . 1 . . . . 511 ASN HD22 . 15447 1 57 . 1 1 27 27 ASN N N 15 119.359 0.08 . 1 . . . . 511 ASN N . 15447 1 58 . 1 1 27 27 ASN ND2 N 15 133.86 0.08 . 1 . . . . 511 ASN ND2 . 15447 1 59 . 1 1 28 28 CYS H H 1 8.438 0.01 . 1 . . . . 512 CYS H . 15447 1 60 . 1 1 28 28 CYS N N 15 121.184 0.08 . 1 . . . . 512 CYS N . 15447 1 61 . 1 1 29 29 THR H H 1 8.297 0.01 . 1 . . . . 513 THR H . 15447 1 62 . 1 1 29 29 THR N N 15 115.065 0.08 . 1 . . . . 513 THR N . 15447 1 63 . 1 1 30 30 CYS H H 1 8.532 0.01 . 1 . . . . 514 CYS H . 15447 1 64 . 1 1 30 30 CYS N N 15 122.223 0.08 . 1 . . . . 514 CYS N . 15447 1 65 . 1 1 31 31 PHE H H 1 9.116 0.01 . 1 . . . . 515 PHE H . 15447 1 66 . 1 1 31 31 PHE N N 15 130.045 0.08 . 1 . . . . 515 PHE N . 15447 1 67 . 1 1 32 32 GLY H H 1 9.162 0.01 . 1 . . . . 516 GLY H . 15447 1 68 . 1 1 32 32 GLY N N 15 107.566 0.08 . 1 . . . . 516 GLY N . 15447 1 69 . 1 1 33 33 GLN H H 1 8.821 0.01 . 1 . . . . 517 GLN H . 15447 1 70 . 1 1 33 33 GLN HE21 H 1 6.693 0.01 . 2 . . . . 517 GLN HE21 . 15447 1 71 . 1 1 33 33 GLN HE22 H 1 7.571 0.01 . 2 . . . . 517 GLN HE22 . 15447 1 72 . 1 1 33 33 GLN N N 15 123.228 0.08 . 1 . . . . 517 GLN N . 15447 1 73 . 1 1 33 33 GLN NE2 N 15 111.157 0.08 . 1 . . . . 517 GLN NE2 . 15447 1 74 . 1 1 34 34 GLY H H 1 9.13 0.01 . 1 . . . . 518 GLY H . 15447 1 75 . 1 1 34 34 GLY N N 15 108.548 0.08 . 1 . . . . 518 GLY N . 15447 1 76 . 1 1 35 35 ARG H H 1 7.549 0.01 . 1 . . . . 519 ARG H . 15447 1 77 . 1 1 35 35 ARG N N 15 118.099 0.08 . 1 . . . . 519 ARG N . 15447 1 78 . 1 1 36 36 GLY H H 1 9.779 0.01 . 1 . . . . 520 GLY H . 15447 1 79 . 1 1 36 36 GLY N N 15 116.078 0.08 . 1 . . . . 520 GLY N . 15447 1 80 . 1 1 37 37 ARG H H 1 8.853 0.01 . 1 . . . . 521 ARG H . 15447 1 81 . 1 1 37 37 ARG N N 15 118.809 0.08 . 1 . . . . 521 ARG N . 15447 1 82 . 1 1 38 38 TRP H H 1 8.456 0.01 . 1 . . . . 522 TRP H . 15447 1 83 . 1 1 38 38 TRP HE1 H 1 10.379 0.01 . 1 . . . . 522 TRP HE1 . 15447 1 84 . 1 1 38 38 TRP N N 15 124.041 0.08 . 1 . . . . 522 TRP N . 15447 1 85 . 1 1 38 38 TRP NE1 N 15 131.071 0.08 . 1 . . . . 522 TRP NE1 . 15447 1 86 . 1 1 39 39 LYS H H 1 8.384 0.01 . 1 . . . . 523 LYS H . 15447 1 87 . 1 1 39 39 LYS N N 15 118.505 0.08 . 1 . . . . 523 LYS N . 15447 1 88 . 1 1 40 40 CYS H H 1 8.816 0.01 . 1 . . . . 524 CYS H . 15447 1 89 . 1 1 40 40 CYS N N 15 120.128 0.08 . 1 . . . . 524 CYS N . 15447 1 90 . 1 1 41 41 ASP H H 1 9.079 0.01 . 1 . . . . 525 ASP H . 15447 1 91 . 1 1 41 41 ASP N N 15 123.103 0.08 . 1 . . . . 525 ASP N . 15447 1 92 . 1 1 43 43 VAL H H 1 8.033 0.01 . 1 . . . . 527 VAL H . 15447 1 93 . 1 1 43 43 VAL N N 15 122.241 0.08 . 1 . . . . 527 VAL N . 15447 1 94 . 1 1 44 44 ASP H H 1 8.622 0.01 . 1 . . . . 528 ASP H . 15447 1 95 . 1 1 44 44 ASP N N 15 126.197 0.08 . 1 . . . . 528 ASP N . 15447 1 96 . 1 1 45 45 GLN H H 1 7.828 0.01 . 1 . . . . 529 GLN H . 15447 1 97 . 1 1 45 45 GLN N N 15 120.516 0.08 . 1 . . . . 529 GLN N . 15447 1 98 . 1 1 46 46 CYS H H 1 9.181 0.01 . 1 . . . . 530 CYS H . 15447 1 99 . 1 1 46 46 CYS N N 15 116.499 0.08 . 1 . . . . 530 CYS N . 15447 1 100 . 1 1 47 47 GLN H H 1 9.037 0.01 . 1 . . . . 531 GLN H . 15447 1 101 . 1 1 47 47 GLN HE21 H 1 6.699 0.01 . 2 . . . . 531 GLN HE21 . 15447 1 102 . 1 1 47 47 GLN HE22 H 1 6.772 0.01 . 2 . . . . 531 GLN HE22 . 15447 1 103 . 1 1 47 47 GLN N N 15 123.459 0.08 . 1 . . . . 531 GLN N . 15447 1 104 . 1 1 47 47 GLN NE2 N 15 112.416 0.08 . 1 . . . . 531 GLN NE2 . 15447 1 105 . 1 1 48 48 ASP H H 1 8.009 0.01 . 1 . . . . 532 ASP H . 15447 1 106 . 1 1 48 48 ASP N N 15 126.506 0.08 . 1 . . . . 532 ASP N . 15447 1 107 . 1 1 49 49 SER H H 1 7.775 0.01 . 1 . . . . 533 SER H . 15447 1 108 . 1 1 49 49 SER N N 15 121.895 0.08 . 1 . . . . 533 SER N . 15447 1 109 . 1 1 50 50 GLU H H 1 8.719 0.01 . 1 . . . . 534 GLU H . 15447 1 110 . 1 1 50 50 GLU N N 15 121.825 0.08 . 1 . . . . 534 GLU N . 15447 1 111 . 1 1 51 51 THR H H 1 7.626 0.01 . 1 . . . . 535 THR H . 15447 1 112 . 1 1 51 51 THR N N 15 106.008 0.08 . 1 . . . . 535 THR N . 15447 1 113 . 1 1 52 52 GLY H H 1 8.087 0.01 . 1 . . . . 536 GLY H . 15447 1 114 . 1 1 52 52 GLY N N 15 111.473 0.08 . 1 . . . . 536 GLY N . 15447 1 115 . 1 1 53 53 THR H H 1 7.428 0.01 . 1 . . . . 537 THR H . 15447 1 116 . 1 1 53 53 THR N N 15 118.798 0.083 . 1 . . . . 537 THR N . 15447 1 117 . 1 1 54 54 PHE H H 1 8.066 0.01 . 1 . . . . 538 PHE H . 15447 1 118 . 1 1 54 54 PHE N N 15 123.132 0.08 . 1 . . . . 538 PHE N . 15447 1 119 . 1 1 55 55 TYR H H 1 8.987 0.01 . 1 . . . . 539 TYR H . 15447 1 120 . 1 1 55 55 TYR N N 15 121.052 0.08 . 1 . . . . 539 TYR N . 15447 1 121 . 1 1 56 56 GLN H H 1 9.099 0.01 . 1 . . . . 540 GLN H . 15447 1 122 . 1 1 56 56 GLN N N 15 119.37 0.08 . 1 . . . . 540 GLN N . 15447 1 123 . 1 1 57 57 ILE H H 1 8.749 0.01 . 1 . . . . 541 ILE H . 15447 1 124 . 1 1 57 57 ILE N N 15 121.34 0.08 . 1 . . . . 541 ILE N . 15447 1 125 . 1 1 58 58 GLY H H 1 8.783 0.01 . 1 . . . . 542 GLY H . 15447 1 126 . 1 1 58 58 GLY N N 15 116.657 0.08 . 1 . . . . 542 GLY N . 15447 1 127 . 1 1 59 59 ASP H H 1 8.335 0.01 . 1 . . . . 543 ASP H . 15447 1 128 . 1 1 59 59 ASP N N 15 121.822 0.08 . 1 . . . . 543 ASP N . 15447 1 129 . 1 1 60 60 SER H H 1 8.227 0.01 . 1 . . . . 544 SER H . 15447 1 130 . 1 1 60 60 SER N N 15 111.734 0.08 . 1 . . . . 544 SER N . 15447 1 131 . 1 1 61 61 TRP H H 1 8.278 0.01 . 1 . . . . 545 TRP H . 15447 1 132 . 1 1 61 61 TRP HE1 H 1 9.599 0.01 . 1 . . . . 545 TRP HE1 . 15447 1 133 . 1 1 61 61 TRP N N 15 122.135 0.08 . 1 . . . . 545 TRP N . 15447 1 134 . 1 1 61 61 TRP NE1 N 15 128.367 0.08 . 1 . . . . 545 TRP NE1 . 15447 1 135 . 1 1 62 62 GLU H H 1 8.502 0.01 . 1 . . . . 546 GLU H . 15447 1 136 . 1 1 62 62 GLU N N 15 119.607 0.08 . 1 . . . . 546 GLU N . 15447 1 137 . 1 1 63 63 LYS H H 1 8.419 0.01 . 1 . . . . 547 LYS H . 15447 1 138 . 1 1 63 63 LYS N N 15 119.877 0.08 . 1 . . . . 547 LYS N . 15447 1 139 . 1 1 64 64 TYR H H 1 8.933 0.01 . 1 . . . . 548 TYR H . 15447 1 140 . 1 1 64 64 TYR N N 15 122.932 0.08 . 1 . . . . 548 TYR N . 15447 1 141 . 1 1 65 65 VAL H H 1 8.973 0.01 . 1 . . . . 549 VAL H . 15447 1 142 . 1 1 65 65 VAL N N 15 124.125 0.08 . 1 . . . . 549 VAL N . 15447 1 143 . 1 1 67 67 GLY H H 1 8.476 0.01 . 1 . . . . 551 GLY H . 15447 1 144 . 1 1 67 67 GLY N N 15 103.068 0.08 . 1 . . . . 551 GLY N . 15447 1 145 . 1 1 68 68 VAL H H 1 7.863 0.01 . 1 . . . . 552 VAL H . 15447 1 146 . 1 1 68 68 VAL N N 15 122.948 0.08 . 1 . . . . 552 VAL N . 15447 1 147 . 1 1 69 69 ARG H H 1 8.529 0.01 . 1 . . . . 553 ARG H . 15447 1 148 . 1 1 69 69 ARG N N 15 127.679 0.08 . 1 . . . . 553 ARG N . 15447 1 149 . 1 1 70 70 TYR H H 1 9.439 0.01 . 1 . . . . 554 TYR H . 15447 1 150 . 1 1 70 70 TYR N N 15 126.212 0.08 . 1 . . . . 554 TYR N . 15447 1 151 . 1 1 71 71 GLN H H 1 8.928 0.01 . 1 . . . . 555 GLN H . 15447 1 152 . 1 1 71 71 GLN HE21 H 1 6.841 0.01 . 1 . . . . 555 GLN HE21 . 15447 1 153 . 1 1 71 71 GLN HE22 H 1 7.393 0.01 . 1 . . . . 555 GLN HE22 . 15447 1 154 . 1 1 71 71 GLN N N 15 118.973 0.08 . 1 . . . . 555 GLN N . 15447 1 155 . 1 1 71 71 GLN NE2 N 15 111.665 0.08 . 1 . . . . 555 GLN NE2 . 15447 1 156 . 1 1 72 72 CYS H H 1 9.194 0.01 . 1 . . . . 556 CYS H . 15447 1 157 . 1 1 72 72 CYS N N 15 127.163 0.08 . 1 . . . . 556 CYS N . 15447 1 158 . 1 1 73 73 TYR H H 1 8.161 0.01 . 1 . . . . 557 TYR H . 15447 1 159 . 1 1 73 73 TYR N N 15 120.429 0.08 . 1 . . . . 557 TYR N . 15447 1 160 . 1 1 74 74 CYS H H 1 7.643 0.01 . 1 . . . . 558 CYS H . 15447 1 161 . 1 1 74 74 CYS N N 15 121.424 0.08 . 1 . . . . 558 CYS N . 15447 1 162 . 1 1 82 82 TRP H H 1 8.997 0.01 . 1 . . . . 566 TRP H . 15447 1 163 . 1 1 82 82 TRP HE1 H 1 9.818 0.01 . 1 . . . . 566 TRP HE1 . 15447 1 164 . 1 1 82 82 TRP N N 15 128.561 0.08 . 1 . . . . 566 TRP N . 15447 1 165 . 1 1 82 82 TRP NE1 N 15 131.267 0.08 . 1 . . . . 566 TRP NE1 . 15447 1 166 . 1 1 83 83 HIS H H 1 8.336 0.01 . 1 . . . . 567 HIS H . 15447 1 167 . 1 1 83 83 HIS N N 15 113.795 0.08 . 1 . . . . 567 HIS N . 15447 1 168 . 1 1 85 85 GLN H H 1 8.996 0.01 . 1 . . . . 569 GLN H . 15447 1 169 . 1 1 85 85 GLN N N 15 120.514 0.08 . 1 . . . . 569 GLN N . 15447 1 170 . 1 1 87 87 LEU H H 1 8.411 0.01 . 1 . . . . 571 LEU H . 15447 1 171 . 1 1 87 87 LEU N N 15 124.999 0.08 . 1 . . . . 571 LEU N . 15447 1 172 . 1 1 88 88 GLN H H 1 7.915 0.01 . 1 . . . . 572 GLN H . 15447 1 173 . 1 1 88 88 GLN N N 15 126.913 0.08 . 1 . . . . 572 GLN N . 15447 1 stop_ save_