################################### # 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_gp78CUE_amides_in_gp78-K48Ub2 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode gp78CUE_amides_in_gp78-K48Ub2 _Assigned_chem_shift_list.Entry_ID 18584 _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 0.05 _Assigned_chem_shift_list.Chem_shift_13C_err 0.5 _Assigned_chem_shift_list.Chem_shift_15N_err 0.2 _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' . . . 18584 1 4 '3D CBCA(CO)NH' . . . 18584 1 7 '3D HNCACB' . . . 18584 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 . 3 2 4 4 GLN H H 1 8.260 0.05 . . . . . D 456 GLN H . 18584 1 2 . 3 2 4 4 GLN N N 15 123.150 0.3 . . . . . D 456 GLN N . 18584 1 3 . 3 2 5 5 LEU H H 1 8.110 0.05 . . . . . D 457 LEU H . 18584 1 4 . 3 2 5 5 LEU N N 15 120.050 0.3 . . . . . D 457 LEU N . 18584 1 5 . 3 2 6 6 ASN H H 1 8.090 0.05 . . . . . D 458 ASN H . 18584 1 6 . 3 2 6 6 ASN N N 15 115.900 0.3 . . . . . D 458 ASN N . 18584 1 7 . 3 2 7 7 ALA H H 1 7.840 0.05 . . . . . D 459 ALA H . 18584 1 8 . 3 2 7 7 ALA N N 15 122.890 0.3 . . . . . D 459 ALA N . 18584 1 9 . 3 2 8 8 MET H H 1 7.990 0.05 . . . . . D 460 MET H . 18584 1 10 . 3 2 8 8 MET N N 15 119.210 0.3 . . . . . D 460 MET N . 18584 1 11 . 3 2 9 9 ALA H H 1 8.360 0.05 . . . . . D 461 ALA H . 18584 1 12 . 3 2 9 9 ALA N N 15 121.420 0.3 . . . . . D 461 ALA N . 18584 1 13 . 3 2 10 10 HIS H H 1 8.200 0.05 . . . . . D 462 HIS H . 18584 1 14 . 3 2 10 10 HIS N N 15 117.430 0.3 . . . . . D 462 HIS N . 18584 1 15 . 3 2 11 11 GLN H H 1 7.840 0.05 . . . . . D 463 GLN H . 18584 1 16 . 3 2 11 11 GLN N N 15 118.610 0.3 . . . . . D 463 GLN N . 18584 1 17 . 3 2 12 12 ILE H H 1 7.850 0.05 . . . . . D 464 ILE H . 18584 1 18 . 3 2 12 12 ILE N N 15 118.710 0.3 . . . . . D 464 ILE N . 18584 1 19 . 3 2 13 13 GLN H H 1 8.600 0.05 . . . . . D 465 GLN H . 18584 1 20 . 3 2 13 13 GLN N N 15 120.500 0.3 . . . . . D 465 GLN N . 18584 1 21 . 3 2 14 14 GLU H H 1 7.450 0.05 . . . . . D 466 GLU H . 18584 1 22 . 3 2 14 14 GLU N N 15 115.72 0.3 . . . . . D 466 GLU N . 18584 1 23 . 3 2 15 15 MET H H 1 6.800 0.05 . . . . . D 467 MET H . 18584 1 24 . 3 2 15 15 MET N N 15 115.080 0.3 . . . . . D 467 MET N . 18584 1 25 . 3 2 16 16 PHE H H 1 7.870 0.05 . . . . . D 468 PHE H . 18584 1 26 . 3 2 16 16 PHE N N 15 113.750 0.3 . . . . . D 468 PHE N . 18584 1 27 . 3 2 18 18 GLN H H 1 9.500 0.05 . . . . . D 470 GLN H . 18584 1 28 . 3 2 18 18 GLN N N 15 116.900 0.3 . . . . . D 470 GLN N . 18584 1 29 . 3 2 19 19 VAL H H 1 7.7660 0.05 . . . . . D 471 VAL H . 18584 1 30 . 3 2 19 19 VAL N N 15 124.44 0.3 . . . . . D 471 VAL N . 18584 1 31 . 3 2 21 21 TYR H H 1 8.830 0.05 . . . . . D 473 TYR H . 18584 1 32 . 3 2 21 21 TYR N N 15 126.320 0.3 . . . . . D 473 TYR N . 18584 1 33 . 3 2 22 22 HIS H H 1 8.680 0.05 . . . . . D 474 HIS H . 18584 1 34 . 3 2 22 22 HIS N N 15 113.220 0.3 . . . . . D 474 HIS N . 18584 1 35 . 3 2 23 23 LEU H H 1 6.600 0.05 . . . . . D 475 LEU H . 18584 1 36 . 3 2 23 23 LEU N N 15 119.450 0.3 . . . . . D 475 LEU N . 18584 1 37 . 3 2 24 24 VAL H H 1 7.180 0.05 . . . . . D 476 VAL H . 18584 1 38 . 3 2 24 24 VAL N N 15 120.890 0.3 . . . . . D 476 VAL N . 18584 1 39 . 3 2 25 25 LEU H H 1 8.100 0.05 . . . . . D 477 LEU H . 18584 1 40 . 3 2 25 25 LEU N N 15 118.710 0.3 . . . . . D 477 LEU N . 18584 1 41 . 3 2 26 26 GLN H H 1 7.550 0.05 . . . . . D 478 GLN H . 18584 1 42 . 3 2 26 26 GLN N N 15 115.520 0.3 . . . . . D 478 GLN N . 18584 1 43 . 3 2 27 27 ASP H H 1 7.390 0.05 . . . . . D 479 ASP H . 18584 1 44 . 3 2 27 27 ASP N N 15 119.110 0.3 . . . . . D 479 ASP N . 18584 1 45 . 3 2 28 28 LEU H H 1 8.400 0.05 . . . . . D 480 LEU H . 18584 1 46 . 3 2 28 28 LEU N N 15 118.990 0.3 . . . . . D 480 LEU N . 18584 1 47 . 3 2 29 29 GLN H H 1 8.030 0.05 . . . . . D 481 GLN H . 18584 1 48 . 3 2 29 29 GLN N N 15 116.850 0.3 . . . . . D 481 GLN N . 18584 1 49 . 3 2 30 30 LEU H H 1 7.230 0.05 . . . . . D 482 LEU H . 18584 1 50 . 3 2 30 30 LEU N N 15 117.030 0.3 . . . . . D 482 LEU N . 18584 1 51 . 3 2 31 31 THR H H 1 8.870 0.05 . . . . . D 483 THR H . 18584 1 52 . 3 2 31 31 THR N N 15 110.740 0.3 . . . . . D 483 THR N . 18584 1 53 . 3 2 32 32 ARG H H 1 9.030 0.05 . . . . . D 484 ARG H . 18584 1 54 . 3 2 32 32 ARG N N 15 117.784 0.3 . . . . . D 484 ARG N . 18584 1 55 . 3 2 33 33 SER H H 1 7.971 0.05 . . . . . D 485 SER H . 18584 1 56 . 3 2 33 33 SER N N 15 110.880 0.3 . . . . . D 485 SER N . 18584 1 57 . 3 2 34 34 VAL H H 1 9.060 0.05 . . . . . D 486 VAL H . 18584 1 58 . 3 2 34 34 VAL N N 15 129.980 0.3 . . . . . D 486 VAL N . 18584 1 59 . 3 2 35 35 GLU H H 1 9.270 0.05 . . . . . D 487 GLU H . 18584 1 60 . 3 2 35 35 GLU N N 15 123.360 0.3 . . . . . D 487 GLU N . 18584 1 61 . 3 2 36 36 ILE H H 1 7.980 0.05 . . . . . D 488 ILE H . 18584 1 62 . 3 2 36 36 ILE N N 15 119.880 0.3 . . . . . D 488 ILE N . 18584 1 63 . 3 2 37 37 THR H H 1 8.250 0.05 . . . . . D 489 THR H . 18584 1 64 . 3 2 37 37 THR N N 15 118.020 0.3 . . . . . D 489 THR N . 18584 1 65 . 3 2 38 38 THR H H 1 8.350 0.05 . . . . . D 490 THR H . 18584 1 66 . 3 2 38 38 THR N N 15 117.400 0.3 . . . . . D 490 THR N . 18584 1 67 . 3 2 39 39 ASP H H 1 7.490 0.05 . . . . . D 491 ASP H . 18584 1 68 . 3 2 39 39 ASP N N 15 122.260 0.3 . . . . . D 491 ASP N . 18584 1 69 . 3 2 40 40 ASN H H 1 8.490 0.05 . . . . . D 492 ASN H . 18584 1 70 . 3 2 40 40 ASN N N 15 116.340 0.3 . . . . . D 492 ASN N . 18584 1 71 . 3 2 41 41 ILE H H 1 8.000 0.05 . . . . . D 493 ILE H . 18584 1 72 . 3 2 41 41 ILE N N 15 121.110 0.3 . . . . . D 493 ILE N . 18584 1 73 . 3 2 42 42 LEU H H 1 8.410 0.05 . . . . . D 494 LEU H . 18584 1 74 . 3 2 42 42 LEU N N 15 121.930 0.3 . . . . . D 494 LEU N . 18584 1 75 . 3 2 43 43 GLU H H 1 8.370 0.05 . . . . . D 495 GLU H . 18584 1 76 . 3 2 43 43 GLU N N 15 114.530 0.3 . . . . . D 495 GLU N . 18584 1 77 . 3 2 44 44 GLY H H 1 7.630 0.05 . . . . . D 496 GLY H . 18584 1 78 . 3 2 44 44 GLY N N 15 107.200 0.3 . . . . . D 496 GLY N . 18584 1 79 . 3 2 45 45 ARG H H 1 8.300 0.05 . . . . . D 497 ARG H . 18584 1 80 . 3 2 45 45 ARG N N 15 116.830 0.3 . . . . . D 497 ARG N . 18584 1 81 . 3 2 46 46 ILE H H 1 7.130 0.05 . . . . . D 498 ILE H . 18584 1 82 . 3 2 46 46 ILE N N 15 117.930 0.3 . . . . . D 498 ILE N . 18584 1 83 . 3 2 47 47 GLN H H 1 8.340 0.05 . . . . . D 499 GLN H . 18584 1 84 . 3 2 47 47 GLN N N 15 125.410 0.3 . . . . . D 499 GLN N . 18584 1 85 . 3 2 48 48 VAL H H 1 8.180 0.05 . . . . . D 500 VAL H . 18584 1 86 . 3 2 48 48 VAL N N 15 122.810 0.3 . . . . . D 500 VAL N . 18584 1 87 . 3 2 50 50 PHE H H 1 8.115 0.05 . . . . . D 502 PHE H . 18584 1 88 . 3 2 50 50 PHE N N 15 121.190 0.3 . . . . . D 502 PHE N . 18584 1 89 . 3 2 52 52 THR H H 1 7.790 0.05 . . . . . D 504 THR H . 18584 1 90 . 3 2 52 52 THR N N 15 119.528 0.3 . . . . . D 504 THR N . 18584 1 stop_ save_ ################################### # 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_ProximalUb_amides_in_gp78-K48Ub2 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode ProximalUb_amides_in_gp78-K48Ub2 _Assigned_chem_shift_list.Entry_ID 18584 _Assigned_chem_shift_list.ID 2 _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' . . . 18584 2 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 H H 1 8.98 0.05 . 1 . . . A 2 GLN H . 18584 2 2 . 1 1 2 2 GLN N N 15 122.96 0.20 . 1 . . . A 2 GLN N . 18584 2 3 . 1 1 3 3 ILE H H 1 8.27 0.05 . 1 . . . A 3 ILE H . 18584 2 4 . 1 1 3 3 ILE N N 15 114.91 0.20 . 1 . . . A 3 ILE N . 18584 2 5 . 1 1 4 4 PHE H H 1 8.56 0.05 . 1 . . . A 4 PHE H . 18584 2 6 . 1 1 4 4 PHE N N 15 118.79 0.20 . 1 . . . A 4 PHE N . 18584 2 7 . 1 1 5 5 VAL H H 1 9.34 0.05 . 1 . . . A 5 VAL H . 18584 2 8 . 1 1 5 5 VAL N N 15 121.04 0.20 . 1 . . . A 5 VAL N . 18584 2 9 . 1 1 6 6 LYS H H 1 9.05 0.05 . 1 . . . A 6 LYS H . 18584 2 10 . 1 1 6 6 LYS N N 15 128.55 0.20 . 1 . . . A 6 LYS N . 18584 2 11 . 1 1 7 7 THR H H 1 8.73 0.05 . 1 . . . A 7 THR H . 18584 2 12 . 1 1 7 7 THR N N 15 115.15 0.20 . 1 . . . A 7 THR N . 18584 2 13 . 1 1 8 8 LEU H H 1 9.34 0.05 . 1 . . . A 8 LEU H . 18584 2 14 . 1 1 8 8 LEU N N 15 121.94 0.20 . 1 . . . A 8 LEU N . 18584 2 15 . 1 1 9 9 THR H H 1 7.65 0.05 . 1 . . . A 9 THR H . 18584 2 16 . 1 1 9 9 THR N N 15 105.79 0.20 . 1 . . . A 9 THR N . 18584 2 17 . 1 1 10 10 GLY H H 1 7.82 0.05 . 1 . . . A 10 GLY H . 18584 2 18 . 1 1 10 10 GLY N N 15 109.44 0.20 . 1 . . . A 10 GLY N . 18584 2 19 . 1 1 11 11 LYS H H 1 7.32 0.05 . 1 . . . A 11 LYS H . 18584 2 20 . 1 1 11 11 LYS N N 15 122.47 0.20 . 1 . . . A 11 LYS N . 18584 2 21 . 1 1 12 12 THR H H 1 8.66 0.05 . 1 . . . A 12 THR H . 18584 2 22 . 1 1 12 12 THR N N 15 120.93 0.20 . 1 . . . A 12 THR N . 18584 2 23 . 1 1 13 13 ILE H H 1 9.61 0.05 . 1 . . . A 13 ILE H . 18584 2 24 . 1 1 13 13 ILE N N 15 128.36 0.20 . 1 . . . A 13 ILE N . 18584 2 25 . 1 1 14 14 THR H H 1 8.81 0.05 . 1 . . . A 14 THR H . 18584 2 26 . 1 1 14 14 THR N N 15 122.96 0.20 . 1 . . . A 14 THR N . 18584 2 27 . 1 1 15 15 LEU H H 1 8.69 0.05 . 1 . . . A 15 LEU H . 18584 2 28 . 1 1 15 15 LEU N N 15 125.41 0.20 . 1 . . . A 15 LEU N . 18584 2 29 . 1 1 16 16 GLU H H 1 8.13 0.05 . 1 . . . A 16 GLU H . 18584 2 30 . 1 1 16 16 GLU N N 15 122.66 0.20 . 1 . . . A 16 GLU N . 18584 2 31 . 1 1 17 17 VAL H H 1 8.96 0.05 . 1 . . . A 17 VAL H . 18584 2 32 . 1 1 17 17 VAL N N 15 117.73 0.20 . 1 . . . A 17 VAL N . 18584 2 33 . 1 1 18 18 GLU H H 1 8.65 0.05 . 1 . . . A 18 GLU H . 18584 2 34 . 1 1 18 18 GLU N N 15 119.33 0.20 . 1 . . . A 18 GLU N . 18584 2 35 . 1 1 20 20 SER H H 1 7.03 0.05 . 1 . . . A 20 SER H . 18584 2 36 . 1 1 20 20 SER N N 15 103.43 0.20 . 1 . . . A 20 SER N . 18584 2 37 . 1 1 21 21 ASP H H 1 8.08 0.05 . 1 . . . A 21 ASP H . 18584 2 38 . 1 1 21 21 ASP N N 15 124.19 0.20 . 1 . . . A 21 ASP N . 18584 2 39 . 1 1 22 22 THR H H 1 7.89 0.05 . 1 . . . A 22 THR H . 18584 2 40 . 1 1 22 22 THR N N 15 109.14 0.20 . 1 . . . A 22 THR N . 18584 2 41 . 1 1 23 23 ILE H H 1 8.69 0.05 . 1 . . . A 23 ILE H . 18584 2 42 . 1 1 23 23 ILE N N 15 121.76 0.20 . 1 . . . A 23 ILE N . 18584 2 43 . 1 1 24 24 GLU H H 1 8.48 0.05 . 1 . . . A 24 GLU H . 18584 2 44 . 1 1 24 24 GLU N N 15 121.73 0.20 . 1 . . . A 24 GLU N . 18584 2 45 . 1 1 25 25 ASN H H 1 7.95 0.05 . 1 . . . A 25 ASN H . 18584 2 46 . 1 1 25 25 ASN N N 15 121.34 0.20 . 1 . . . A 25 ASN N . 18584 2 47 . 1 1 26 26 VAL H H 1 8.16 0.05 . 1 . . . A 26 VAL H . 18584 2 48 . 1 1 26 26 VAL N N 15 122.46 0.20 . 1 . . . A 26 VAL N . 18584 2 49 . 1 1 27 27 LYS H H 1 8.53 0.05 . 1 . . . A 27 LYS H . 18584 2 50 . 1 1 27 27 LYS N N 15 119.23 0.20 . 1 . . . A 27 LYS N . 18584 2 51 . 1 1 28 28 ALA H H 1 7.99 0.05 . 1 . . . A 28 ALA H . 18584 2 52 . 1 1 28 28 ALA N N 15 123.09 0.20 . 1 . . . A 28 ALA N . 18584 2 53 . 1 1 29 29 LYS H H 1 7.93 0.05 . 1 . . . A 29 LYS H . 18584 2 54 . 1 1 29 29 LYS N N 15 120.64 0.20 . 1 . . . A 29 LYS N . 18584 2 55 . 1 1 30 30 ILE H H 1 8.29 0.05 . 1 . . . A 30 ILE H . 18584 2 56 . 1 1 30 30 ILE N N 15 121.76 0.20 . 1 . . . A 30 ILE N . 18584 2 57 . 1 1 31 31 GLN H H 1 8.53 0.05 . 1 . . . A 31 GLN H . 18584 2 58 . 1 1 31 31 GLN N N 15 123.81 0.20 . 1 . . . A 31 GLN N . 18584 2 59 . 1 1 32 32 ASP H H 1 8.12 0.05 . 1 . . . A 32 ASP H . 18584 2 60 . 1 1 32 32 ASP N N 15 120.19 0.20 . 1 . . . A 32 ASP N . 18584 2 61 . 1 1 33 33 LYS H H 1 7.48 0.05 . 1 . . . A 33 LYS H . 18584 2 62 . 1 1 33 33 LYS N N 15 115.85 0.20 . 1 . . . A 33 LYS N . 18584 2 63 . 1 1 34 34 GLU H H 1 8.71 0.05 . 1 . . . A 34 GLU H . 18584 2 64 . 1 1 34 34 GLU N N 15 114.07 0.20 . 1 . . . A 34 GLU N . 18584 2 65 . 1 1 36 36 ILE H H 1 6.12 0.05 . 1 . . . A 36 ILE H . 18584 2 66 . 1 1 36 36 ILE N N 15 120.81 0.20 . 1 . . . A 36 ILE N . 18584 2 67 . 1 1 39 39 ASP H H 1 8.56 0.05 . 1 . . . A 39 ASP H . 18584 2 68 . 1 1 39 39 ASP N N 15 113.88 0.20 . 1 . . . A 39 ASP N . 18584 2 69 . 1 1 40 40 GLN H H 1 7.80 0.05 . 1 . . . A 40 GLN H . 18584 2 70 . 1 1 40 40 GLN N N 15 116.92 0.20 . 1 . . . A 40 GLN N . 18584 2 71 . 1 1 41 41 GLN H H 1 7.52 0.05 . 1 . . . A 41 GLN H . 18584 2 72 . 1 1 41 41 GLN N N 15 117.95 0.20 . 1 . . . A 41 GLN N . 18584 2 73 . 1 1 43 43 LEU H H 1 8.82 0.05 . 1 . . . A 43 LEU H . 18584 2 74 . 1 1 43 43 LEU N N 15 123.83 0.20 . 1 . . . A 43 LEU N . 18584 2 75 . 1 1 44 44 ILE H H 1 9.25 0.05 . 1 . . . A 44 ILE H . 18584 2 76 . 1 1 44 44 ILE N N 15 123.09 0.20 . 1 . . . A 44 ILE N . 18584 2 77 . 1 1 45 45 PHE H H 1 8.81 0.05 . 1 . . . A 45 PHE H . 18584 2 78 . 1 1 45 45 PHE N N 15 125.21 0.20 . 1 . . . A 45 PHE N . 18584 2 79 . 1 1 46 46 ALA H H 1 8.90 0.05 . 1 . . . A 46 ALA H . 18584 2 80 . 1 1 46 46 ALA N N 15 133.41 0.20 . 1 . . . A 46 ALA N . 18584 2 81 . 1 1 48 48 LYS H H 1 8.52 0.05 . 1 . . . A 48 LYS H . 18584 2 82 . 1 1 48 48 LYS N N 15 124.90 0.20 . 1 . . . A 48 LYS N . 18584 2 83 . 1 1 50 50 LEU H H 1 8.72 0.05 . 1 . . . A 50 LEU H . 18584 2 84 . 1 1 50 50 LEU N N 15 126.35 0.20 . 1 . . . A 50 LEU N . 18584 2 85 . 1 1 51 51 GLU H H 1 8.49 0.05 . 1 . . . A 51 GLU H . 18584 2 86 . 1 1 51 51 GLU N N 15 123.28 0.20 . 1 . . . A 51 GLU N . 18584 2 87 . 1 1 52 52 ASP H H 1 8.20 0.05 . 1 . . . A 52 ASP H . 18584 2 88 . 1 1 52 52 ASP N N 15 120.85 0.20 . 1 . . . A 52 ASP N . 18584 2 89 . 1 1 54 54 ARG H H 1 7.46 0.05 . 1 . . . A 54 ARG H . 18584 2 90 . 1 1 54 54 ARG N N 15 119.64 0.20 . 1 . . . A 54 ARG N . 18584 2 91 . 1 1 55 55 THR H H 1 8.81 0.05 . 1 . . . A 55 THR H . 18584 2 92 . 1 1 55 55 THR N N 15 108.82 0.20 . 1 . . . A 55 THR N . 18584 2 93 . 1 1 56 56 LEU H H 1 8.14 0.05 . 1 . . . A 56 LEU H . 18584 2 94 . 1 1 56 56 LEU N N 15 118.15 0.20 . 1 . . . A 56 LEU N . 18584 2 95 . 1 1 57 57 SER H H 1 8.48 0.05 . 1 . . . A 57 SER H . 18584 2 96 . 1 1 57 57 SER N N 15 113.52 0.20 . 1 . . . A 57 SER N . 18584 2 97 . 1 1 58 58 ASP H H 1 7.97 0.05 . 1 . . . A 58 ASP H . 18584 2 98 . 1 1 58 58 ASP N N 15 124.93 0.20 . 1 . . . A 58 ASP N . 18584 2 99 . 1 1 59 59 TYR H H 1 7.21 0.05 . 1 . . . A 59 TYR H . 18584 2 100 . 1 1 59 59 TYR N N 15 115.77 0.20 . 1 . . . A 59 TYR N . 18584 2 101 . 1 1 60 60 ASN H H 1 8.16 0.05 . 1 . . . A 60 ASN H . 18584 2 102 . 1 1 60 60 ASN N N 15 115.93 0.20 . 1 . . . A 60 ASN N . 18584 2 103 . 1 1 61 61 ILE H H 1 7.32 0.05 . 1 . . . A 61 ILE H . 18584 2 104 . 1 1 61 61 ILE N N 15 119.28 0.20 . 1 . . . A 61 ILE N . 18584 2 105 . 1 1 62 62 GLN H H 1 7.65 0.05 . 1 . . . A 62 GLN H . 18584 2 106 . 1 1 62 62 GLN N N 15 125.08 0.20 . 1 . . . A 62 GLN N . 18584 2 107 . 1 1 63 63 LYS H H 1 8.49 0.05 . 1 . . . A 63 LYS H . 18584 2 108 . 1 1 63 63 LYS N N 15 120.68 0.20 . 1 . . . A 63 LYS N . 18584 2 109 . 1 1 64 64 GLU H H 1 9.32 0.05 . 1 . . . A 64 GLU H . 18584 2 110 . 1 1 64 64 GLU N N 15 114.92 0.20 . 1 . . . A 64 GLU N . 18584 2 111 . 1 1 65 65 SER H H 1 7.68 0.05 . 1 . . . A 65 SER H . 18584 2 112 . 1 1 65 65 SER N N 15 115.14 0.20 . 1 . . . A 65 SER N . 18584 2 113 . 1 1 66 66 THR H H 1 8.71 0.05 . 1 . . . A 66 THR H . 18584 2 114 . 1 1 66 66 THR N N 15 117.77 0.20 . 1 . . . A 66 THR N . 18584 2 115 . 1 1 67 67 LEU H H 1 9.34 0.05 . 1 . . . A 67 LEU H . 18584 2 116 . 1 1 67 67 LEU N N 15 127.80 0.20 . 1 . . . A 67 LEU N . 18584 2 117 . 1 1 68 68 HIS H H 1 8.99 0.05 . 1 . . . A 68 HIS H . 18584 2 118 . 1 1 68 68 HIS N N 15 118.81 0.20 . 1 . . . A 68 HIS N . 18584 2 119 . 1 1 69 69 LEU H H 1 8.70 0.05 . 1 . . . A 69 LEU H . 18584 2 120 . 1 1 69 69 LEU N N 15 124.84 0.20 . 1 . . . A 69 LEU N . 18584 2 121 . 1 1 70 70 VAL H H 1 8.70 0.05 . 1 . . . A 70 VAL H . 18584 2 122 . 1 1 70 70 VAL N N 15 128.09 0.20 . 1 . . . A 70 VAL N . 18584 2 123 . 1 1 71 71 LEU H H 1 8.16 0.05 . 1 . . . A 71 LEU H . 18584 2 124 . 1 1 71 71 LEU N N 15 123.45 0.20 . 1 . . . A 71 LEU N . 18584 2 125 . 1 1 72 72 ARG H H 1 8.61 0.05 . 1 . . . A 72 ARG H . 18584 2 126 . 1 1 72 72 ARG N N 15 123.83 0.20 . 1 . . . A 72 ARG N . 18584 2 127 . 1 1 73 73 LEU H H 1 8.53 0.05 . 1 . . . A 73 LEU H . 18584 2 128 . 1 1 73 73 LEU N N 15 123.81 0.20 . 1 . . . A 73 LEU N . 18584 2 129 . 1 1 74 74 ARG H H 1 8.46 0.05 . 1 . . . A 74 ARG H . 18584 2 130 . 1 1 74 74 ARG N N 15 121.15 0.20 . 1 . . . A 74 ARG N . 18584 2 131 . 1 1 76 76 GLY H H 1 7.97 0.05 . 1 . . . A 76 GLY H . 18584 2 132 . 1 1 76 76 GLY N N 15 115.39 0.20 . 1 . . . A 76 GLY N . 18584 2 stop_ save_