################################### # 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 52391 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name StREM13_171-198 _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' . . . 52391 1 2 '2D 1H-1H TOCSY' . . . 52391 1 3 '2D 1H-1H NOESY' . . . 52391 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 . . 52391 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 8.246 0.004 . 1 . . 415 . . 1 GLY H . 52391 1 2 . 1 . 1 1 1 GLY HA2 H 1 3.882 0.009 . 2 . . 414 . . 1 GLY HA2 . 52391 1 3 . 1 . 1 1 1 GLY HA3 H 1 3.852 0.003 . 2 . . 416 . . 1 GLY HA3 . 52391 1 4 . 1 . 1 1 1 GLY N N 15 114.091 . . 1 . . 417 . . 1 GLY N . 52391 1 5 . 1 . 1 2 2 GLU H H 1 8.448 0.001 . 1 . . 377 . . 2 GLU H . 52391 1 6 . 1 . 1 2 2 GLU HA H 1 4.174 0.004 . 1 . . 378 . . 2 GLU HA . 52391 1 7 . 1 . 1 2 2 GLU HB2 H 1 2.002 0.007 . 2 . . 380 . . 2 GLU HB2 . 52391 1 8 . 1 . 1 2 2 GLU HB3 H 1 1.968 0.005 . 2 . . 381 . . 2 GLU HB3 . 52391 1 9 . 1 . 1 2 2 GLU HG2 H 1 2.385 0.002 . 1 . . 379 . . 2 GLU HG2 . 52391 1 10 . 1 . 1 2 2 GLU N N 15 120.473 . . 1 . . 382 . . 2 GLU N . 52391 1 11 . 1 . 1 3 3 ASP H H 1 8.477 0.002 . 1 . . 373 . . 3 ASP H . 52391 1 12 . 1 . 1 3 3 ASP HA H 1 4.479 0.001 . 1 . . 372 . . 3 ASP HA . 52391 1 13 . 1 . 1 3 3 ASP HB2 H 1 2.715 0.006 . 2 . . 374 . . 3 ASP HB2 . 52391 1 14 . 1 . 1 3 3 ASP HB3 H 1 2.779 0.002 . 2 . . 375 . . 3 ASP HB3 . 52391 1 15 . 1 . 1 3 3 ASP N N 15 119.518 . . 1 . . 376 . . 3 ASP N . 52391 1 16 . 1 . 1 4 4 LEU H H 1 7.912 0.005 . 1 . . 396 . . 4 LEU H . 52391 1 17 . 1 . 1 4 4 LEU HA H 1 4.144 0.005 . 1 . . 422 . . 4 LEU HA . 52391 1 18 . 1 . 1 4 4 LEU HB2 H 1 1.566 0.001 . 1 . . 504 . . 4 LEU HB2 . 52391 1 19 . 1 . 1 4 4 LEU HD11 H 1 0.793 0.005 . 2 . . 420 . . 4 LEU HD11 . 52391 1 20 . 1 . 1 4 4 LEU HD12 H 1 0.793 0.005 . 2 . . 420 . . 4 LEU HD12 . 52391 1 21 . 1 . 1 4 4 LEU HD13 H 1 0.793 0.005 . 2 . . 420 . . 4 LEU HD13 . 52391 1 22 . 1 . 1 4 4 LEU HD21 H 1 0.856 0.002 . 2 . . 421 . . 4 LEU HD21 . 52391 1 23 . 1 . 1 4 4 LEU HD22 H 1 0.856 0.002 . 2 . . 421 . . 4 LEU HD22 . 52391 1 24 . 1 . 1 4 4 LEU HD23 H 1 0.856 0.002 . 2 . . 421 . . 4 LEU HD23 . 52391 1 25 . 1 . 1 4 4 LEU N N 15 123.079 . . 1 . . 615 . . 4 LEU N . 52391 1 26 . 1 . 1 5 5 LEU H H 1 7.804 0.003 . 1 . . 437 . . 5 LEU H . 52391 1 27 . 1 . 1 5 5 LEU HA H 1 4.108 0.0 . 1 . . 440 . . 5 LEU HA . 52391 1 28 . 1 . 1 5 5 LEU HB2 H 1 1.638 0.007 . 2 . . 617 . . 5 LEU HB2 . 52391 1 29 . 1 . 1 5 5 LEU HB3 H 1 1.616 0.0 . 2 . . 1079 . . 5 LEU HB3 . 52391 1 30 . 1 . 1 5 5 LEU HG H 1 1.534 0.005 . 1 . . 1080 . . 5 LEU HG . 52391 1 31 . 1 . 1 5 5 LEU HD11 H 1 0.842 0.005 . 2 . . 438 . . 5 LEU HD11 . 52391 1 32 . 1 . 1 5 5 LEU HD12 H 1 0.842 0.005 . 2 . . 438 . . 5 LEU HD12 . 52391 1 33 . 1 . 1 5 5 LEU HD13 H 1 0.842 0.005 . 2 . . 438 . . 5 LEU HD13 . 52391 1 34 . 1 . 1 5 5 LEU HD21 H 1 0.789 0.003 . 2 . . 439 . . 5 LEU HD21 . 52391 1 35 . 1 . 1 5 5 LEU HD22 H 1 0.789 0.003 . 2 . . 439 . . 5 LEU HD22 . 52391 1 36 . 1 . 1 5 5 LEU HD23 H 1 0.789 0.003 . 2 . . 439 . . 5 LEU HD23 . 52391 1 37 . 1 . 1 5 5 LEU N N 15 120.261 . . 1 . . 614 . . 5 LEU N . 52391 1 38 . 1 . 1 6 6 LYS H H 1 7.910 0.004 . 1 . . 495 . . 6 LYS H . 52391 1 39 . 1 . 1 6 6 LYS HA H 1 4.014 0.008 . 1 . . 498 . . 6 LYS HA . 52391 1 40 . 1 . 1 6 6 LYS HB2 H 1 1.770 0.003 . 1 . . 500 . . 6 LYS HB2 . 52391 1 41 . 1 . 1 6 6 LYS HG2 H 1 1.456 0.002 . 2 . . 501 . . 6 LYS HG2 . 52391 1 42 . 1 . 1 6 6 LYS HG3 H 1 1.360 0.006 . 2 . . 502 . . 6 LYS HG3 . 52391 1 43 . 1 . 1 6 6 LYS HD2 H 1 1.622 0.002 . 1 . . 503 . . 6 LYS HD2 . 52391 1 44 . 1 . 1 6 6 LYS HE2 H 1 2.910 0.004 . 1 . . 499 . . 6 LYS HE2 . 52391 1 45 . 1 . 1 6 6 LYS N N 15 119.601 . . 1 . . 397 . . 6 LYS N . 52391 1 46 . 1 . 1 7 7 ALA H H 1 7.906 0.004 . 1 . . 457 . . 7 ALA H . 52391 1 47 . 1 . 1 7 7 ALA HA H 1 4.090 0.0 . 1 . . 459 . . 7 ALA HA . 52391 1 48 . 1 . 1 7 7 ALA HB1 H 1 1.409 0.003 . 1 . . 458 . . 7 ALA HB1 . 52391 1 49 . 1 . 1 7 7 ALA HB2 H 1 1.409 0.003 . 1 . . 458 . . 7 ALA HB2 . 52391 1 50 . 1 . 1 7 7 ALA HB3 H 1 1.409 0.003 . 1 . . 458 . . 7 ALA HB3 . 52391 1 51 . 1 . 1 7 7 ALA N N 15 122.243 . . 1 . . 616 . . 7 ALA N . 52391 1 52 . 1 . 1 8 8 GLU H H 1 8.227 0.002 . 1 . . 388 . . 8 GLU H . 52391 1 53 . 1 . 1 8 8 GLU HA H 1 4.083 0.0 . 1 . . 451 . . 8 GLU HA . 52391 1 54 . 1 . 1 8 8 GLU HB2 H 1 2.137 0.003 . 2 . . 454 . . 8 GLU HB2 . 52391 1 55 . 1 . 1 8 8 GLU HB3 H 1 2.045 0.002 . 2 . . 455 . . 8 GLU HB3 . 52391 1 56 . 1 . 1 8 8 GLU HG2 H 1 2.548 0.009 . 2 . . 452 . . 8 GLU HG2 . 52391 1 57 . 1 . 1 8 8 GLU HG3 H 1 2.412 0.008 . 2 . . 453 . . 8 GLU HG3 . 52391 1 58 . 1 . 1 8 8 GLU N N 15 118.692 . . 1 . . 389 . . 8 GLU N . 52391 1 59 . 1 . 1 9 9 GLU H H 1 8.148 0.005 . 1 . . 466 . . 9 GLU H . 52391 1 60 . 1 . 1 9 9 GLU HA H 1 4.078 0.001 . 1 . . 470 . . 9 GLU HA . 52391 1 61 . 1 . 1 9 9 GLU HB2 H 1 2.102 0.006 . 2 . . 464 . . 9 GLU HB2 . 52391 1 62 . 1 . 1 9 9 GLU HB3 H 1 2.026 0.007 . 2 . . 465 . . 9 GLU HB3 . 52391 1 63 . 1 . 1 9 9 GLU HG2 H 1 2.519 0.01 . 2 . . 467 . . 9 GLU HG2 . 52391 1 64 . 1 . 1 9 9 GLU HG3 H 1 2.378 0.005 . 2 . . 468 . . 9 GLU HG3 . 52391 1 65 . 1 . 1 9 9 GLU N N 15 120.381 . . 1 . . 469 . . 9 GLU N . 52391 1 66 . 1 . 1 10 10 LEU H H 1 7.969 0.005 . 1 . . 460 . . 10 LEU H . 52391 1 67 . 1 . 1 10 10 LEU HA H 1 4.101 0.001 . 1 . . 625 . . 10 LEU HA . 52391 1 68 . 1 . 1 10 10 LEU HB2 H 1 1.671 0.001 . 2 . . 624 . . 10 LEU HB2 . 52391 1 69 . 1 . 1 10 10 LEU HB3 H 1 1.656 0.004 . 2 . . 1077 . . 10 LEU HB3 . 52391 1 70 . 1 . 1 10 10 LEU HG H 1 1.551 0.003 . 1 . . 1078 . . 10 LEU HG . 52391 1 71 . 1 . 1 10 10 LEU HD11 H 1 0.844 0.002 . 2 . . 462 . . 10 LEU HD11 . 52391 1 72 . 1 . 1 10 10 LEU HD12 H 1 0.844 0.002 . 2 . . 462 . . 10 LEU HD12 . 52391 1 73 . 1 . 1 10 10 LEU HD13 H 1 0.844 0.002 . 2 . . 462 . . 10 LEU HD13 . 52391 1 74 . 1 . 1 10 10 LEU HD21 H 1 0.817 0.004 . 2 . . 463 . . 10 LEU HD21 . 52391 1 75 . 1 . 1 10 10 LEU HD22 H 1 0.817 0.004 . 2 . . 463 . . 10 LEU HD22 . 52391 1 76 . 1 . 1 10 10 LEU HD23 H 1 0.817 0.004 . 2 . . 463 . . 10 LEU HD23 . 52391 1 77 . 1 . 1 10 10 LEU N N 15 121.334 . . 1 . . 461 . . 10 LEU N . 52391 1 78 . 1 . 1 11 11 ALA H H 1 7.837 0.001 . 1 . . 607 . . 11 ALA H . 52391 1 79 . 1 . 1 11 11 ALA HA H 1 4.119 0.002 . 1 . . 609 . . 11 ALA HA . 52391 1 80 . 1 . 1 11 11 ALA HB1 H 1 1.387 0.005 . 1 . . 608 . . 11 ALA HB1 . 52391 1 81 . 1 . 1 11 11 ALA HB2 H 1 1.387 0.005 . 1 . . 608 . . 11 ALA HB2 . 52391 1 82 . 1 . 1 11 11 ALA HB3 H 1 1.387 0.005 . 1 . . 608 . . 11 ALA HB3 . 52391 1 83 . 1 . 1 11 11 ALA N N 15 121.676 . . 1 . . 619 . . 11 ALA N . 52391 1 84 . 1 . 1 12 12 ALA H H 1 7.791 0.002 . 1 . . 505 . . 12 ALA H . 52391 1 85 . 1 . 1 12 12 ALA HA H 1 4.086 0.001 . 1 . . 636 . . 12 ALA HA . 52391 1 86 . 1 . 1 12 12 ALA HB1 H 1 1.359 0.003 . 1 . . 506 . . 12 ALA HB1 . 52391 1 87 . 1 . 1 12 12 ALA HB2 H 1 1.359 0.003 . 1 . . 506 . . 12 ALA HB2 . 52391 1 88 . 1 . 1 12 12 ALA HB3 H 1 1.359 0.003 . 1 . . 506 . . 12 ALA HB3 . 52391 1 89 . 1 . 1 12 12 ALA N N 15 120.791 . . 1 . . 618 . . 12 ALA N . 52391 1 90 . 1 . 1 13 13 LYS H H 1 7.770 0.005 . 1 . . 386 . . 13 LYS H . 52391 1 91 . 1 . 1 13 13 LYS HA H 1 4.049 0.0 . 1 . . 400 . . 13 LYS HA . 52391 1 92 . 1 . 1 13 13 LYS HB2 H 1 1.657 0.005 . 1 . . 482 . . 13 LYS HB2 . 52391 1 93 . 1 . 1 13 13 LYS HG2 H 1 1.264 0.003 . 2 . . 478 . . 13 LYS HG2 . 52391 1 94 . 1 . 1 13 13 LYS HG3 H 1 1.142 0.004 . 2 . . 479 . . 13 LYS HG3 . 52391 1 95 . 1 . 1 13 13 LYS HD2 H 1 1.525 0.004 . 2 . . 481 . . 13 LYS HD2 . 52391 1 96 . 1 . 1 13 13 LYS HD3 H 1 1.499 0.008 . 2 . . 1081 . . 13 LYS HD3 . 52391 1 97 . 1 . 1 13 13 LYS HE2 H 1 2.843 0.002 . 1 . . 480 . . 13 LYS HE2 . 52391 1 98 . 1 . 1 13 13 LYS N N 15 118.764 . . 1 . . 387 . . 13 LYS N . 52391 1 99 . 1 . 1 14 14 TYR H H 1 7.825 0.004 . 1 . . 471 . . 14 TYR H . 52391 1 100 . 1 . 1 14 14 TYR HA H 1 4.459 0.002 . 1 . . 474 . . 14 TYR HA . 52391 1 101 . 1 . 1 14 14 TYR HB2 H 1 2.898 0.002 . 2 . . 472 . . 14 TYR HB2 . 52391 1 102 . 1 . 1 14 14 TYR HB3 H 1 3.040 0.009 . 2 . . 473 . . 14 TYR HB3 . 52391 1 103 . 1 . 1 14 14 TYR HD1 H 1 7.061 0.005 . 1 . . 477 . . 14 TYR HD1 . 52391 1 104 . 1 . 1 14 14 TYR HD2 H 1 7.061 0.005 . 1 . . 477 . . 14 TYR HD2 . 52391 1 105 . 1 . 1 14 14 TYR HE1 H 1 6.728 0.006 . 1 . . 476 . . 14 TYR HE1 . 52391 1 106 . 1 . 1 14 14 TYR HE2 H 1 6.728 0.006 . 1 . . 476 . . 14 TYR HE2 . 52391 1 107 . 1 . 1 14 14 TYR N N 15 122.145 . . 1 . . 475 . . 14 TYR N . 52391 1 108 . 1 . 1 15 15 ARG H H 1 7.819 0.004 . 1 . . 442 . . 15 ARG H . 52391 1 109 . 1 . 1 15 15 ARG HA H 1 4.161 0.004 . 1 . . 443 . . 15 ARG HA . 52391 1 110 . 1 . 1 15 15 ARG HB2 H 1 1.748 0.004 . 2 . . 444 . . 15 ARG HB2 . 52391 1 111 . 1 . 1 15 15 ARG HB3 H 1 1.703 0.007 . 2 . . 447 . . 15 ARG HB3 . 52391 1 112 . 1 . 1 15 15 ARG HG2 H 1 1.530 0.003 . 2 . . 445 . . 15 ARG HG2 . 52391 1 113 . 1 . 1 15 15 ARG HG3 H 1 1.561 0.007 . 2 . . 448 . . 15 ARG HG3 . 52391 1 114 . 1 . 1 15 15 ARG HD2 H 1 3.111 0.008 . 1 . . 446 . . 15 ARG HD2 . 52391 1 115 . 1 . 1 15 15 ARG HE H 1 7.111 0.009 . 1 . . 441 . . 15 ARG HE . 52391 1 116 . 1 . 1 15 15 ARG N N 15 119.107 . . 1 . . 456 . . 15 ARG N . 52391 1 117 . 1 . 1 16 16 ALA H H 1 8.089 0.006 . 1 . . 394 . . 16 ALA H . 52391 1 118 . 1 . 1 16 16 ALA HA H 1 4.264 0.012 . 1 . . 449 . . 16 ALA HA . 52391 1 119 . 1 . 1 16 16 ALA HB1 H 1 1.361 0.004 . 1 . . 450 . . 16 ALA HB1 . 52391 1 120 . 1 . 1 16 16 ALA HB2 H 1 1.361 0.004 . 1 . . 450 . . 16 ALA HB2 . 52391 1 121 . 1 . 1 16 16 ALA HB3 H 1 1.361 0.004 . 1 . . 450 . . 16 ALA HB3 . 52391 1 122 . 1 . 1 16 16 ALA N N 15 124.608 . . 1 . . 395 . . 16 ALA N . 52391 1 123 . 1 . 1 17 17 THR H H 1 8.002 0.005 . 1 . . 487 . . 17 THR H . 52391 1 124 . 1 . 1 17 17 THR HA H 1 4.267 0.005 . 1 . . 490 . . 17 THR HA . 52391 1 125 . 1 . 1 17 17 THR HB H 1 4.196 0.004 . 1 . . 489 . . 17 THR HB . 52391 1 126 . 1 . 1 17 17 THR HG1 H 1 5.260 0.0 . 1 . . 496 . . 17 THR HG1 . 52391 1 127 . 1 . 1 17 17 THR HG21 H 1 1.155 0.003 . 1 . . 491 . . 17 THR HG21 . 52391 1 128 . 1 . 1 17 17 THR HG22 H 1 1.155 0.003 . 1 . . 491 . . 17 THR HG22 . 52391 1 129 . 1 . 1 17 17 THR HG23 H 1 1.155 0.003 . 1 . . 491 . . 17 THR HG23 . 52391 1 130 . 1 . 1 17 17 THR N N 15 112.502 . . 1 . . 488 . . 17 THR N . 52391 1 131 . 1 . 1 18 18 GLY H H 1 8.267 0.003 . 1 . . 418 . . 18 GLY H . 52391 1 132 . 1 . 1 18 18 GLY HA2 H 1 3.944 0.016 . 1 . . 431 . . 18 GLY HA2 . 52391 1 133 . 1 . 1 18 18 GLY N N 15 110.995 . . 1 . . 419 . . 18 GLY N . 52391 1 134 . 1 . 1 19 19 THR H H 1 7.963 0.004 . 1 . . 432 . . 19 THR H . 52391 1 135 . 1 . 1 19 19 THR HA H 1 4.247 0.003 . 1 . . 435 . . 19 THR HA . 52391 1 136 . 1 . 1 19 19 THR HB H 1 4.087 0.002 . 1 . . 436 . . 19 THR HB . 52391 1 137 . 1 . 1 19 19 THR HG1 H 1 5.185 0.0 . 1 . . 497 . . 19 THR HG1 . 52391 1 138 . 1 . 1 19 19 THR HG21 H 1 1.103 0.007 . 1 . . 434 . . 19 THR HG21 . 52391 1 139 . 1 . 1 19 19 THR HG22 H 1 1.103 0.007 . 1 . . 434 . . 19 THR HG22 . 52391 1 140 . 1 . 1 19 19 THR HG23 H 1 1.103 0.007 . 1 . . 434 . . 19 THR HG23 . 52391 1 141 . 1 . 1 19 19 THR N N 15 113.626 . . 1 . . 433 . . 19 THR N . 52391 1 142 . 1 . 1 20 20 ALA H H 1 8.247 0.005 . 1 . . 392 . . 20 ALA H . 52391 1 143 . 1 . 1 20 20 ALA HA H 1 4.484 0.006 . 1 . . 483 . . 20 ALA HA . 52391 1 144 . 1 . 1 20 20 ALA HB1 H 1 1.270 0.008 . 1 . . 484 . . 20 ALA HB1 . 52391 1 145 . 1 . 1 20 20 ALA HB2 H 1 1.270 0.008 . 1 . . 484 . . 20 ALA HB2 . 52391 1 146 . 1 . 1 20 20 ALA HB3 H 1 1.270 0.008 . 1 . . 484 . . 20 ALA HB3 . 52391 1 147 . 1 . 1 20 20 ALA N N 15 128.113 . . 1 . . 393 . . 20 ALA N . 52391 1 148 . 1 . 1 21 21 PRO HA H 1 4.314 0.011 . 1 . . 411 . . 21 PRO HA . 52391 1 149 . 1 . 1 21 21 PRO HB2 H 1 2.194 0.006 . 2 . . 408 . . 21 PRO HB2 . 52391 1 150 . 1 . 1 21 21 PRO HB3 H 1 1.793 0.004 . 2 . . 412 . . 21 PRO HB3 . 52391 1 151 . 1 . 1 21 21 PRO HG2 H 1 1.920 0.006 . 1 . . 413 . . 21 PRO HG2 . 52391 1 152 . 1 . 1 21 21 PRO HD2 H 1 3.690 0.002 . 2 . . 409 . . 21 PRO HD2 . 52391 1 153 . 1 . 1 21 21 PRO HD3 H 1 3.535 0.009 . 2 . . 410 . . 21 PRO HD3 . 52391 1 154 . 1 . 1 22 22 LYS H H 1 8.252 0.001 . 1 . . 485 . . 22 LYS H . 52391 1 155 . 1 . 1 22 22 LYS HA H 1 4.166 0.004 . 1 . . 492 . . 22 LYS HA . 52391 1 156 . 1 . 1 22 22 LYS HB2 H 1 1.693 0.002 . 1 . . 631 . . 22 LYS HB2 . 52391 1 157 . 1 . 1 22 22 LYS HG2 H 1 1.386 0.003 . 2 . . 633 . . 22 LYS HG2 . 52391 1 158 . 1 . 1 22 22 LYS HG3 H 1 1.319 0.004 . 2 . . 634 . . 22 LYS HG3 . 52391 1 159 . 1 . 1 22 22 LYS HD2 H 1 1.591 0.006 . 1 . . 632 . . 22 LYS HD2 . 52391 1 160 . 1 . 1 22 22 LYS HE2 H 1 2.904 0.001 . 1 . . 494 . . 22 LYS HE2 . 52391 1 161 . 1 . 1 22 22 LYS HZ1 H 1 7.442 0.002 . 1 . . 493 . . 22 LYS HZ1 . 52391 1 162 . 1 . 1 22 22 LYS HZ2 H 1 7.442 0.002 . 1 . . 493 . . 22 LYS HZ2 . 52391 1 163 . 1 . 1 22 22 LYS HZ3 H 1 7.442 0.002 . 1 . . 493 . . 22 LYS HZ3 . 52391 1 164 . 1 . 1 22 22 LYS N N 15 121.680 . . 1 . . 486 . . 22 LYS N . 52391 1 165 . 1 . 1 23 23 LYS H H 1 8.222 0.003 . 1 . . 610 . . 23 LYS H . 52391 1 166 . 1 . 1 23 23 LYS HA H 1 4.214 0.006 . 1 . . 612 . . 23 LYS HA . 52391 1 167 . 1 . 1 23 23 LYS HB2 H 1 1.648 0.006 . 1 . . 628 . . 23 LYS HB2 . 52391 1 168 . 1 . 1 23 23 LYS HG2 H 1 1.255 0.006 . 2 . . 613 . . 23 LYS HG2 . 52391 1 169 . 1 . 1 23 23 LYS HG3 H 1 1.308 0.009 . 2 . . 630 . . 23 LYS HG3 . 52391 1 170 . 1 . 1 23 23 LYS HD2 H 1 1.580 0.004 . 1 . . 629 . . 23 LYS HD2 . 52391 1 171 . 1 . 1 23 23 LYS HE2 H 1 2.878 0.006 . 1 . . 611 . . 23 LYS HE2 . 52391 1 172 . 1 . 1 23 23 LYS HZ1 H 1 7.454 0.0 . 1 . . 982 . . 23 LYS HZ1 . 52391 1 173 . 1 . 1 23 23 LYS HZ2 H 1 7.454 0.0 . 1 . . 982 . . 23 LYS HZ2 . 52391 1 174 . 1 . 1 23 23 LYS HZ3 H 1 7.454 0.0 . 1 . . 982 . . 23 LYS HZ3 . 52391 1 175 . 1 . 1 23 23 LYS N N 15 123.172 . . 1 . . 620 . . 23 LYS N . 52391 1 176 . 1 . 1 24 24 ILE H H 1 8.158 0.007 . 1 . . 423 . . 24 ILE H . 52391 1 177 . 1 . 1 24 24 ILE HA H 1 4.068 0.007 . 1 . . 430 . . 24 ILE HA . 52391 1 178 . 1 . 1 24 24 ILE HB H 1 1.747 0.003 . 1 . . 427 . . 24 ILE HB . 52391 1 179 . 1 . 1 24 24 ILE HG12 H 1 1.376 0.006 . 2 . . 425 . . 24 ILE HG12 . 52391 1 180 . 1 . 1 24 24 ILE HG13 H 1 1.076 0.006 . 2 . . 426 . . 24 ILE HG13 . 52391 1 181 . 1 . 1 24 24 ILE HG21 H 1 0.805 0.003 . 1 . . 429 . . 24 ILE HG21 . 52391 1 182 . 1 . 1 24 24 ILE HG22 H 1 0.805 0.003 . 1 . . 429 . . 24 ILE HG22 . 52391 1 183 . 1 . 1 24 24 ILE HG23 H 1 0.805 0.003 . 1 . . 429 . . 24 ILE HG23 . 52391 1 184 . 1 . 1 24 24 ILE HD11 H 1 0.748 0.002 . 1 . . 428 . . 24 ILE HD11 . 52391 1 185 . 1 . 1 24 24 ILE HD12 H 1 0.748 0.002 . 1 . . 428 . . 24 ILE HD12 . 52391 1 186 . 1 . 1 24 24 ILE HD13 H 1 0.748 0.002 . 1 . . 428 . . 24 ILE HD13 . 52391 1 187 . 1 . 1 24 24 ILE N N 15 123.436 . . 1 . . 424 . . 24 ILE N . 52391 1 188 . 1 . 1 25 25 LEU H H 1 8.265 0.003 . 1 . . 390 . . 25 LEU H . 52391 1 189 . 1 . 1 25 25 LEU HA H 1 4.286 0.008 . 1 . . 626 . . 25 LEU HA . 52391 1 190 . 1 . 1 25 25 LEU HB2 H 1 1.573 0.009 . 1 . . 635 . . 25 LEU HB2 . 52391 1 191 . 1 . 1 25 25 LEU HG H 1 1.514 0.009 . 1 . . 627 . . 25 LEU HG . 52391 1 192 . 1 . 1 25 25 LEU HD11 H 1 0.791 0.006 . 2 . . 406 . . 25 LEU HD11 . 52391 1 193 . 1 . 1 25 25 LEU HD12 H 1 0.791 0.006 . 2 . . 406 . . 25 LEU HD12 . 52391 1 194 . 1 . 1 25 25 LEU HD13 H 1 0.791 0.006 . 2 . . 406 . . 25 LEU HD13 . 52391 1 195 . 1 . 1 25 25 LEU HD21 H 1 0.843 0.007 . 2 . . 407 . . 25 LEU HD21 . 52391 1 196 . 1 . 1 25 25 LEU HD22 H 1 0.843 0.007 . 2 . . 407 . . 25 LEU HD22 . 52391 1 197 . 1 . 1 25 25 LEU HD23 H 1 0.843 0.007 . 2 . . 407 . . 25 LEU HD23 . 52391 1 198 . 1 . 1 25 25 LEU N N 15 126.689 . . 1 . . 391 . . 25 LEU N . 52391 1 199 . 1 . 1 26 26 GLY H H 1 8.204 0.004 . 1 . . 398 . . 26 GLY H . 52391 1 200 . 1 . 1 26 26 GLY HA2 H 1 3.798 0.01 . 1 . . 405 . . 26 GLY HA2 . 52391 1 201 . 1 . 1 26 26 GLY N N 15 109.499 . . 1 . . 399 . . 26 GLY N . 52391 1 202 . 1 . 1 27 27 ILE H H 1 7.664 0.013 . 1 . . 384 . . 27 ILE H . 52391 1 203 . 1 . 1 27 27 ILE HA H 1 4.056 0.004 . 1 . . 383 . . 27 ILE HA . 52391 1 204 . 1 . 1 27 27 ILE HB H 1 1.677 0.006 . 1 . . 402 . . 27 ILE HB . 52391 1 205 . 1 . 1 27 27 ILE HG12 H 1 1.209 0.0 . 1 . . 404 . . 27 ILE HG12 . 52391 1 206 . 1 . 1 27 27 ILE HG21 H 1 0.971 0.005 . 1 . . 403 . . 27 ILE HG21 . 52391 1 207 . 1 . 1 27 27 ILE HG22 H 1 0.971 0.005 . 1 . . 403 . . 27 ILE HG22 . 52391 1 208 . 1 . 1 27 27 ILE HG23 H 1 0.971 0.005 . 1 . . 403 . . 27 ILE HG23 . 52391 1 209 . 1 . 1 27 27 ILE HD11 H 1 0.725 0.004 . 1 . . 401 . . 27 ILE HD11 . 52391 1 210 . 1 . 1 27 27 ILE HD12 H 1 0.725 0.004 . 1 . . 401 . . 27 ILE HD12 . 52391 1 211 . 1 . 1 27 27 ILE HD13 H 1 0.725 0.004 . 1 . . 401 . . 27 ILE HD13 . 52391 1 212 . 1 . 1 27 27 ILE N N 15 119.352 . . 1 . . 385 . . 27 ILE N . 52391 1 213 . 1 . 1 28 28 PHE H H 1 8.023 0.006 . 1 . . 369 . . 28 PHE H . 52391 1 214 . 1 . 1 28 28 PHE HA H 1 4.501 0.008 . 1 . . 370 . . 28 PHE HA . 52391 1 215 . 1 . 1 28 28 PHE HB2 H 1 3.116 0.012 . 2 . . 365 . . 28 PHE HB2 . 52391 1 216 . 1 . 1 28 28 PHE HB3 H 1 2.897 0.007 . 2 . . 368 . . 28 PHE HB3 . 52391 1 217 . 1 . 1 28 28 PHE HD1 H 1 7.160 0.006 . 1 . . 366 . . 28 PHE HD1 . 52391 1 218 . 1 . 1 28 28 PHE HD2 H 1 7.160 0.006 . 1 . . 366 . . 28 PHE HD2 . 52391 1 219 . 1 . 1 28 28 PHE HE1 H 1 7.240 0.006 . 1 . . 364 . . 28 PHE HE1 . 52391 1 220 . 1 . 1 28 28 PHE HE2 H 1 7.240 0.006 . 1 . . 364 . . 28 PHE HE2 . 52391 1 221 . 1 . 1 28 28 PHE HZ H 1 7.199 0.004 . 1 . . 367 . . 28 PHE HZ . 52391 1 222 . 1 . 1 28 28 PHE N N 15 126.511 . . 1 . . 371 . . 28 PHE N . 52391 1 stop_ save_