################################### # 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 52411 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name AtREM65 _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' . . . 52411 1 2 '2D 1H-1H TOCSY' . . . 52411 1 3 '2D 1H-1H NOESY' . . . 52411 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 . . 52411 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 GLY H H 1 8.154 0.004 . 1 . . 585 . . 1 GLY H . 52411 1 2 . 1 . 1 1 1 GLY HA2 H 1 3.752 0.002 . 2 . . 586 . . 1 GLY HA2 . 52411 1 3 . 1 . 1 1 1 GLY HA3 H 1 3.764 0.005 . 2 . . 600 . . 1 GLY HA3 . 52411 1 4 . 1 . 1 1 1 GLY N N 15 113.671 . . 1 . . 587 . . 1 GLY N . 52411 1 5 . 1 . 1 2 2 HIS H H 1 8.325 0.008 . 1 . . 499 . . 2 HIS H . 52411 1 6 . 1 . 1 2 2 HIS HA H 1 4.610 0.012 . 1 . . 501 . . 2 HIS HA . 52411 1 7 . 1 . 1 2 2 HIS HB2 H 1 3.028 0.008 . 2 . . 502 . . 2 HIS HB2 . 52411 1 8 . 1 . 1 2 2 HIS HB3 H 1 3.138 0.013 . 2 . . 503 . . 2 HIS HB3 . 52411 1 9 . 1 . 1 2 2 HIS HD2 H 1 7.166 0.008 . 1 . . 1922 . . 2 HIS HD2 . 52411 1 10 . 1 . 1 2 2 HIS HE1 H 1 8.485 0.003 . 1 . . 504 . . 2 HIS HE1 . 52411 1 11 . 1 . 1 2 2 HIS N N 15 117.532 . . 1 . . 500 . . 2 HIS N . 52411 1 12 . 1 . 1 3 3 LEU H H 1 8.333 0.006 . 1 . . 493 . . 3 LEU H . 52411 1 13 . 1 . 1 3 3 LEU HA H 1 4.499 0.016 . 1 . . 495 . . 3 LEU HA . 52411 1 14 . 1 . 1 3 3 LEU HB2 H 1 1.526 0.005 . 2 . . 496 . . 3 LEU HB2 . 52411 1 15 . 1 . 1 3 3 LEU HB3 H 1 1.509 0.005 . 2 . . 551 . . 3 LEU HB3 . 52411 1 16 . 1 . 1 3 3 LEU HG H 1 1.426 0.01 . 1 . . 497 . . 3 LEU HG . 52411 1 17 . 1 . 1 3 3 LEU HD11 H 1 0.780 0.006 . 2 . . 494 . . 3 LEU HD11 . 52411 1 18 . 1 . 1 3 3 LEU HD12 H 1 0.780 0.006 . 2 . . 494 . . 3 LEU HD12 . 52411 1 19 . 1 . 1 3 3 LEU HD13 H 1 0.780 0.006 . 2 . . 494 . . 3 LEU HD13 . 52411 1 20 . 1 . 1 3 3 LEU HD21 H 1 0.808 0.01 . 2 . . 552 . . 3 LEU HD21 . 52411 1 21 . 1 . 1 3 3 LEU HD22 H 1 0.808 0.01 . 2 . . 552 . . 3 LEU HD22 . 52411 1 22 . 1 . 1 3 3 LEU HD23 H 1 0.808 0.01 . 2 . . 552 . . 3 LEU HD23 . 52411 1 23 . 1 . 1 3 3 LEU N N 15 124.900 . . 1 . . 498 . . 3 LEU N . 52411 1 24 . 1 . 1 4 4 PRO HA H 1 4.348 0.006 . 1 . . 594 . . 4 PRO HA . 52411 1 25 . 1 . 1 4 4 PRO HB2 H 1 2.224 0.005 . 2 . . 596 . . 4 PRO HB2 . 52411 1 26 . 1 . 1 4 4 PRO HB3 H 1 1.927 0.016 . 2 . . 597 . . 4 PRO HB3 . 52411 1 27 . 1 . 1 4 4 PRO HG2 H 1 1.828 0.008 . 1 . . 599 . . 4 PRO HG2 . 52411 1 28 . 1 . 1 4 4 PRO HD2 H 1 3.514 0.008 . 2 . . 595 . . 4 PRO HD2 . 52411 1 29 . 1 . 1 4 4 PRO HD3 H 1 3.753 0.005 . 2 . . 598 . . 4 PRO HD3 . 52411 1 30 . 1 . 1 5 5 SER H H 1 8.310 0.008 . 1 . . 506 . . 5 SER H . 52411 1 31 . 1 . 1 5 5 SER HA H 1 4.294 0.018 . 1 . . 508 . . 5 SER HA . 52411 1 32 . 1 . 1 5 5 SER HB2 H 1 3.721 0.019 . 2 . . 509 . . 5 SER HB2 . 52411 1 33 . 1 . 1 5 5 SER HB3 H 1 3.800 0.012 . 2 . . 510 . . 5 SER HB3 . 52411 1 34 . 1 . 1 5 5 SER N N 15 115.690 . . 1 . . 507 . . 5 SER N . 52411 1 35 . 1 . 1 6 6 SER H H 1 8.116 0.01 . 1 . . 553 . . 6 SER H . 52411 1 36 . 1 . 1 6 6 SER HA H 1 4.265 0.011 . 1 . . 555 . . 6 SER HA . 52411 1 37 . 1 . 1 6 6 SER HB2 H 1 3.704 0.003 . 2 . . 556 . . 6 SER HB2 . 52411 1 38 . 1 . 1 6 6 SER HB3 H 1 3.671 0.008 . 2 . . 557 . . 6 SER HB3 . 52411 1 39 . 1 . 1 6 6 SER N N 15 117.187 . . 1 . . 554 . . 6 SER N . 52411 1 40 . 1 . 1 7 7 PHE H H 1 8.051 0.005 . 1 . . 536 . . 7 PHE H . 52411 1 41 . 1 . 1 7 7 PHE HA H 1 4.481 0.011 . 1 . . 540 . . 7 PHE HA . 52411 1 42 . 1 . 1 7 7 PHE HB2 H 1 2.954 0.015 . 2 . . 538 . . 7 PHE HB2 . 52411 1 43 . 1 . 1 7 7 PHE HB3 H 1 2.867 0.006 . 2 . . 539 . . 7 PHE HB3 . 52411 1 44 . 1 . 1 7 7 PHE HD1 H 1 7.074 0.002 . 1 . . 1927 . . 7 PHE HD1 . 52411 1 45 . 1 . 1 7 7 PHE HD2 H 1 7.074 0.002 . 1 . . 1927 . . 7 PHE HD2 . 52411 1 46 . 1 . 1 7 7 PHE HE1 H 1 7.205 0.024 . 1 . . 1929 . . 7 PHE HE1 . 52411 1 47 . 1 . 1 7 7 PHE HE2 H 1 7.205 0.024 . 1 . . 1929 . . 7 PHE HE2 . 52411 1 48 . 1 . 1 7 7 PHE HZ H 1 7.109 0.006 . 1 . . 1928 . . 7 PHE HZ . 52411 1 49 . 1 . 1 7 7 PHE N N 15 121.868 . . 1 . . 537 . . 7 PHE N . 52411 1 50 . 1 . 1 8 8 SER H H 1 7.947 0.006 . 1 . . 577 . . 8 SER H . 52411 1 51 . 1 . 1 8 8 SER HA H 1 4.253 0.003 . 1 . . 578 . . 8 SER HA . 52411 1 52 . 1 . 1 8 8 SER HB2 H 1 3.632 0.004 . 1 . . 580 . . 8 SER HB2 . 52411 1 53 . 1 . 1 8 8 SER N N 15 116.710 . . 1 . . 579 . . 8 SER N . 52411 1 54 . 1 . 1 9 9 PHE H H 1 7.927 0.013 . 1 . . 546 . . 9 PHE H . 52411 1 55 . 1 . 1 9 9 PHE HA H 1 4.458 0.008 . 1 . . 548 . . 9 PHE HA . 52411 1 56 . 1 . 1 9 9 PHE HB2 H 1 2.917 0.011 . 2 . . 549 . . 9 PHE HB2 . 52411 1 57 . 1 . 1 9 9 PHE HB3 H 1 2.988 0.013 . 2 . . 550 . . 9 PHE HB3 . 52411 1 58 . 1 . 1 9 9 PHE HD1 H 1 7.074 . . 1 . . 1930 . . 9 PHE HD1 . 52411 1 59 . 1 . 1 9 9 PHE HD2 H 1 7.074 . . 1 . . 1930 . . 9 PHE HD2 . 52411 1 60 . 1 . 1 9 9 PHE HE1 H 1 7.172 0.004 . 1 . . 1932 . . 9 PHE HE1 . 52411 1 61 . 1 . 1 9 9 PHE HE2 H 1 7.172 0.004 . 1 . . 1932 . . 9 PHE HE2 . 52411 1 62 . 1 . 1 9 9 PHE HZ H 1 7.123 0.008 . 1 . . 1931 . . 9 PHE HZ . 52411 1 63 . 1 . 1 9 9 PHE N N 15 122.149 . . 1 . . 547 . . 9 PHE N . 52411 1 64 . 1 . 1 10 10 SER H H 1 7.943 0.009 . 1 . . 581 . . 10 SER H . 52411 1 65 . 1 . 1 10 10 SER HA H 1 4.249 0.003 . 1 . . 583 . . 10 SER HA . 52411 1 66 . 1 . 1 10 10 SER HB2 H 1 3.622 0.006 . 1 . . 584 . . 10 SER HB2 . 52411 1 67 . 1 . 1 10 10 SER N N 15 116.993 . . 1 . . 582 . . 10 SER N . 52411 1 68 . 1 . 1 11 11 PHE H H 1 8.015 0.004 . 1 . . 541 . . 11 PHE H . 52411 1 69 . 1 . 1 11 11 PHE HA H 1 4.467 0.005 . 1 . . 543 . . 11 PHE HA . 52411 1 70 . 1 . 1 11 11 PHE HB2 H 1 2.883 0.012 . 2 . . 544 . . 11 PHE HB2 . 52411 1 71 . 1 . 1 11 11 PHE HB3 H 1 2.962 0.015 . 2 . . 545 . . 11 PHE HB3 . 52411 1 72 . 1 . 1 11 11 PHE HD1 H 1 7.079 0.005 . 1 . . 1924 . . 11 PHE HD1 . 52411 1 73 . 1 . 1 11 11 PHE HD2 H 1 7.079 0.005 . 1 . . 1924 . . 11 PHE HD2 . 52411 1 74 . 1 . 1 11 11 PHE HE1 H 1 7.181 0.006 . 1 . . 1925 . . 11 PHE HE1 . 52411 1 75 . 1 . 1 11 11 PHE HE2 H 1 7.181 0.006 . 1 . . 1925 . . 11 PHE HE2 . 52411 1 76 . 1 . 1 11 11 PHE HZ H 1 7.122 0.004 . 1 . . 1926 . . 11 PHE HZ . 52411 1 77 . 1 . 1 11 11 PHE N N 15 122.083 . . 1 . . 542 . . 11 PHE N . 52411 1 78 . 1 . 1 12 12 LYS H H 1 7.978 0.006 . 1 . . 522 . . 12 LYS H . 52411 1 79 . 1 . 1 12 12 LYS HA H 1 4.170 0.005 . 1 . . 523 . . 12 LYS HA . 52411 1 80 . 1 . 1 12 12 LYS HB2 H 1 1.630 0.006 . 1 . . 524 . . 12 LYS HB2 . 52411 1 81 . 1 . 1 12 12 LYS HG2 H 1 1.218 0.009 . 1 . . 521 . . 12 LYS HG2 . 52411 1 82 . 1 . 1 12 12 LYS HD2 H 1 1.521 0.005 . 1 . . 520 . . 12 LYS HD2 . 52411 1 83 . 1 . 1 12 12 LYS HE2 H 1 2.845 0.004 . 1 . . 519 . . 12 LYS HE2 . 52411 1 84 . 1 . 1 12 12 LYS HZ1 H 1 7.382 0.002 . 1 . . 1923 . . 12 LYS HZ1 . 52411 1 85 . 1 . 1 12 12 LYS HZ2 H 1 7.382 0.002 . 1 . . 1923 . . 12 LYS HZ2 . 52411 1 86 . 1 . 1 12 12 LYS HZ3 H 1 7.382 0.002 . 1 . . 1923 . . 12 LYS HZ3 . 52411 1 87 . 1 . 1 12 12 LYS N N 15 122.934 . . 1 . . 558 . . 12 LYS N . 52411 1 88 . 1 . 1 13 13 LEU H H 1 8.079 0.012 . 1 . . 531 . . 13 LEU H . 52411 1 89 . 1 . 1 13 13 LEU HA H 1 4.440 0.007 . 1 . . 533 . . 13 LEU HA . 52411 1 90 . 1 . 1 13 13 LEU HB2 H 1 1.582 0.008 . 1 . . 532 . . 13 LEU HB2 . 52411 1 91 . 1 . 1 13 13 LEU HG H 1 1.480 0.008 . 1 . . 534 . . 13 LEU HG . 52411 1 92 . 1 . 1 13 13 LEU HD11 H 1 0.858 0.007 . 2 . . 535 . . 13 LEU HD11 . 52411 1 93 . 1 . 1 13 13 LEU HD12 H 1 0.858 0.007 . 2 . . 535 . . 13 LEU HD12 . 52411 1 94 . 1 . 1 13 13 LEU HD13 H 1 0.858 0.007 . 2 . . 535 . . 13 LEU HD13 . 52411 1 95 . 1 . 1 13 13 LEU HD21 H 1 0.842 0.008 . 2 . . 601 . . 13 LEU HD21 . 52411 1 96 . 1 . 1 13 13 LEU HD22 H 1 0.842 0.008 . 2 . . 601 . . 13 LEU HD22 . 52411 1 97 . 1 . 1 13 13 LEU HD23 H 1 0.842 0.008 . 2 . . 601 . . 13 LEU HD23 . 52411 1 98 . 1 . 1 13 13 LEU N N 15 124.921 . . 1 . . 530 . . 13 LEU N . 52411 1 99 . 1 . 1 14 14 PRO HA H 1 4.331 0.01 . 1 . . 589 . . 14 PRO HA . 52411 1 100 . 1 . 1 14 14 PRO HB2 H 1 2.205 0.005 . 2 . . 592 . . 14 PRO HB2 . 52411 1 101 . 1 . 1 14 14 PRO HB3 H 1 1.930 0.013 . 2 . . 593 . . 14 PRO HB3 . 52411 1 102 . 1 . 1 14 14 PRO HG2 H 1 1.817 0.006 . 1 . . 590 . . 14 PRO HG2 . 52411 1 103 . 1 . 1 14 14 PRO HD2 H 1 3.552 0.004 . 2 . . 588 . . 14 PRO HD2 . 52411 1 104 . 1 . 1 14 14 PRO HD3 H 1 3.746 0.01 . 2 . . 591 . . 14 PRO HD3 . 52411 1 105 . 1 . 1 15 15 SER H H 1 8.181 0.008 . 1 . . 573 . . 15 SER H . 52411 1 106 . 1 . 1 15 15 SER HA H 1 4.218 0.005 . 1 . . 575 . . 15 SER HA . 52411 1 107 . 1 . 1 15 15 SER HB2 H 1 3.742 0.012 . 1 . . 576 . . 15 SER HB2 . 52411 1 108 . 1 . 1 15 15 SER N N 15 115.644 . . 1 . . 574 . . 15 SER N . 52411 1 109 . 1 . 1 16 16 ARG H H 1 8.236 0.007 . 1 . . 511 . . 16 ARG H . 52411 1 110 . 1 . 1 16 16 ARG HA H 1 4.205 0.006 . 1 . . 518 . . 16 ARG HA . 52411 1 111 . 1 . 1 16 16 ARG HB2 H 1 1.651 0.008 . 2 . . 516 . . 16 ARG HB2 . 52411 1 112 . 1 . 1 16 16 ARG HB3 H 1 1.613 0.008 . 2 . . 517 . . 16 ARG HB3 . 52411 1 113 . 1 . 1 16 16 ARG HG2 H 1 1.444 0.01 . 1 . . 513 . . 16 ARG HG2 . 52411 1 114 . 1 . 1 16 16 ARG HD2 H 1 3.010 0.007 . 1 . . 514 . . 16 ARG HD2 . 52411 1 115 . 1 . 1 16 16 ARG HE H 1 6.993 0.004 . 1 . . 515 . . 16 ARG HE . 52411 1 116 . 1 . 1 16 16 ARG N N 15 122.402 . . 1 . . 512 . . 16 ARG N . 52411 1 117 . 1 . 1 17 17 CYS H H 1 8.178 0.004 . 1 . . 569 . . 17 CYS H . 52411 1 118 . 1 . 1 17 17 CYS HA H 1 4.363 0.01 . 1 . . 571 . . 17 CYS HA . 52411 1 119 . 1 . 1 17 17 CYS HB2 H 1 2.756 0.013 . 1 . . 570 . . 17 CYS HB2 . 52411 1 120 . 1 . 1 17 17 CYS N N 15 119.811 . . 1 . . 572 . . 17 CYS N . 52411 1 121 . 1 . 1 18 18 TRP H H 1 8.133 0.012 . 1 . . 525 . . 18 TRP H . 52411 1 122 . 1 . 1 18 18 TRP HA H 1 4.611 0.008 . 1 . . 527 . . 18 TRP HA . 52411 1 123 . 1 . 1 18 18 TRP HB2 H 1 3.211 0.009 . 2 . . 528 . . 18 TRP HB2 . 52411 1 124 . 1 . 1 18 18 TRP HB3 H 1 3.185 0.007 . 2 . . 529 . . 18 TRP HB3 . 52411 1 125 . 1 . 1 18 18 TRP HD1 H 1 7.157 0.003 . 1 . . 505 . . 18 TRP HD1 . 52411 1 126 . 1 . 1 18 18 TRP HE1 H 1 10.032 0.002 . 1 . . 1921 . . 18 TRP HE1 . 52411 1 127 . 1 . 1 18 18 TRP HE3 H 1 7.513 0.016 . 1 . . 1917 . . 18 TRP HE3 . 52411 1 128 . 1 . 1 18 18 TRP HZ2 H 1 7.374 0.005 . 1 . . 1918 . . 18 TRP HZ2 . 52411 1 129 . 1 . 1 18 18 TRP HZ3 H 1 7.044 0.014 . 1 . . 1920 . . 18 TRP HZ3 . 52411 1 130 . 1 . 1 18 18 TRP HH2 H 1 7.140 0.015 . 1 . . 1919 . . 18 TRP HH2 . 52411 1 131 . 1 . 1 18 18 TRP N N 15 123.454 . . 1 . . 526 . . 18 TRP N . 52411 1 132 . 1 . 1 18 18 TRP NE1 N 15 129.474 . . 1 . . 1957 . . 18 TRP NE1 . 52411 1 133 . 1 . 1 19 19 CYS H H 1 7.903 0.009 . 1 . . 559 . . 19 CYS H . 52411 1 134 . 1 . 1 19 19 CYS HA H 1 4.322 0.009 . 1 . . 561 . . 19 CYS HA . 52411 1 135 . 1 . 1 19 19 CYS HB2 H 1 2.674 0.01 . 1 . . 560 . . 19 CYS HB2 . 52411 1 136 . 1 . 1 19 19 CYS N N 15 120.929 . . 1 . . 562 . . 19 CYS N . 52411 1 137 . 1 . 1 20 20 GLN H H 1 7.957 0.009 . 1 . . 563 . . 20 GLN H . 52411 1 138 . 1 . 1 20 20 GLN HA H 1 4.059 0.008 . 1 . . 567 . . 20 GLN HA . 52411 1 139 . 1 . 1 20 20 GLN HB2 H 1 1.822 0.005 . 2 . . 565 . . 20 GLN HB2 . 52411 1 140 . 1 . 1 20 20 GLN HB3 H 1 1.995 0.009 . 2 . . 566 . . 20 GLN HB3 . 52411 1 141 . 1 . 1 20 20 GLN HG2 H 1 2.176 0.013 . 1 . . 568 . . 20 GLN HG2 . 52411 1 142 . 1 . 1 20 20 GLN HE21 H 1 7.384 0.004 . 1 . . 1958 . . 20 GLN HE21 . 52411 1 143 . 1 . 1 20 20 GLN HE22 H 1 6.723 0.002 . 1 . . 1959 . . 20 GLN HE22 . 52411 1 144 . 1 . 1 20 20 GLN N N 15 124.582 . . 1 . . 564 . . 20 GLN N . 52411 1 145 . 1 . 1 20 20 GLN NE2 N 15 112.403 . . 1 . . 1960 . . 20 GLN NE2 . 52411 1 stop_ save_