################################### # 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 30599 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _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' . . . 30599 1 2 '2D NOESY' . . . 30599 1 3 '3D CBCA(CO)NH' . . . 30599 1 4 '3D C(CO)NH' . . . 30599 1 5 '3D HNCO' . . . 30599 1 6 '3D HNCA' . . . 30599 1 7 '3D HNCACB' . . . 30599 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 2 2 SER HA H 1 4.554 0.02 1.000 1 . . . . A 2 SER HA . 30599 1 2 . 1 . 1 2 2 SER HB2 H 1 3.881 0.02 0.608 2 . . . . A 2 SER HB2 . 30599 1 3 . 1 . 1 2 2 SER HB3 H 1 3.881 0.02 0.842 2 . . . . A 2 SER HB3 . 30599 1 4 . 1 . 1 2 2 SER C C 13 177.740 0.20 1.000 1 . . . . A 2 SER C . 30599 1 5 . 1 . 1 2 2 SER CA C 13 58.378 0.20 1.000 1 . . . . A 2 SER CA . 30599 1 6 . 1 . 1 2 2 SER CB C 13 63.948 0.20 1.000 1 . . . . A 2 SER CB . 30599 1 7 . 1 . 1 3 3 VAL H H 1 8.339 0.02 1.000 1 . . . . A 3 VAL H . 30599 1 8 . 1 . 1 3 3 VAL HA H 1 4.141 0.02 1.000 1 . . . . A 3 VAL HA . 30599 1 9 . 1 . 1 3 3 VAL HB H 1 2.105 0.02 1.000 1 . . . . A 3 VAL HB . 30599 1 10 . 1 . 1 3 3 VAL HG11 H 1 0.952 0.02 0.595 2 . . . . A 3 VAL HG11 . 30599 1 11 . 1 . 1 3 3 VAL HG12 H 1 0.952 0.02 0.595 2 . . . . A 3 VAL HG12 . 30599 1 12 . 1 . 1 3 3 VAL HG13 H 1 0.952 0.02 0.595 2 . . . . A 3 VAL HG13 . 30599 1 13 . 1 . 1 3 3 VAL HG21 H 1 0.952 0.02 0.659 2 . . . . A 3 VAL HG21 . 30599 1 14 . 1 . 1 3 3 VAL HG22 H 1 0.952 0.02 0.659 2 . . . . A 3 VAL HG22 . 30599 1 15 . 1 . 1 3 3 VAL HG23 H 1 0.952 0.02 0.659 2 . . . . A 3 VAL HG23 . 30599 1 16 . 1 . 1 3 3 VAL C C 13 176.340 0.20 1.000 1 . . . . A 3 VAL C . 30599 1 17 . 1 . 1 3 3 VAL CA C 13 62.728 0.20 0.653 1 . . . . A 3 VAL CA . 30599 1 18 . 1 . 1 3 3 VAL CB C 13 32.518 0.20 1.000 1 . . . . A 3 VAL CB . 30599 1 19 . 1 . 1 3 3 VAL CG1 C 13 21.328 0.20 0.443 2 . . . . A 3 VAL CG1 . 30599 1 20 . 1 . 1 3 3 VAL CG2 C 13 21.328 0.20 0.469 2 . . . . A 3 VAL CG2 . 30599 1 21 . 1 . 1 3 3 VAL N N 15 121.721 0.20 1.000 1 . . . . A 3 VAL N . 30599 1 22 . 1 . 1 4 4 GLU H H 1 8.520 0.02 1.000 1 . . . . A 4 GLU H . 30599 1 23 . 1 . 1 4 4 GLU HA H 1 4.258 0.02 1.000 1 . . . . A 4 GLU HA . 30599 1 24 . 1 . 1 4 4 GLU HB2 H 1 1.960 0.02 0.476 2 . . . . A 4 GLU HB2 . 30599 1 25 . 1 . 1 4 4 GLU HG3 H 1 2.270 0.02 0.080 2 . . . . A 4 GLU HG3 . 30599 1 26 . 1 . 1 4 4 GLU C C 13 176.440 0.20 1.000 1 . . . . A 4 GLU C . 30599 1 27 . 1 . 1 4 4 GLU CA C 13 56.918 0.20 1.000 1 . . . . A 4 GLU CA . 30599 1 28 . 1 . 1 4 4 GLU CB C 13 30.128 0.20 1.000 1 . . . . A 4 GLU CB . 30599 1 29 . 1 . 1 4 4 GLU CG C 13 36.438 0.20 1.000 1 . . . . A 4 GLU CG . 30599 1 30 . 1 . 1 4 4 GLU N N 15 124.650 0.20 1.000 1 . . . . A 4 GLU N . 30599 1 31 . 1 . 1 5 5 LYS H H 1 8.315 0.02 1.000 1 . . . . A 5 LYS H . 30599 1 32 . 1 . 1 5 5 LYS C C 13 176.540 0.20 1.000 1 . . . . A 5 LYS C . 30599 1 33 . 1 . 1 5 5 LYS CA C 13 56.478 0.20 1.000 1 . . . . A 5 LYS CA . 30599 1 34 . 1 . 1 5 5 LYS CB C 13 32.958 0.20 1.000 1 . . . . A 5 LYS CB . 30599 1 35 . 1 . 1 5 5 LYS CG C 13 24.828 0.20 0.245 1 . . . . A 5 LYS CG . 30599 1 36 . 1 . 1 5 5 LYS CD C 13 29.168 0.20 0.753 1 . . . . A 5 LYS CD . 30599 1 37 . 1 . 1 5 5 LYS N N 15 122.657 0.20 1.000 1 . . . . A 5 LYS N . 30599 1 38 . 1 . 1 6 6 LEU H H 1 8.347 0.02 1.000 1 . . . . A 6 LEU H . 30599 1 39 . 1 . 1 6 6 LEU HA H 1 4.419 0.02 1.000 1 . . . . A 6 LEU HA . 30599 1 40 . 1 . 1 6 6 LEU HB2 H 1 1.691 0.02 0.503 2 . . . . A 6 LEU HB2 . 30599 1 41 . 1 . 1 6 6 LEU HB3 H 1 1.691 0.02 0.458 2 . . . . A 6 LEU HB3 . 30599 1 42 . 1 . 1 6 6 LEU HG H 1 1.625 0.02 0.471 1 . . . . A 6 LEU HG . 30599 1 43 . 1 . 1 6 6 LEU HD11 H 1 0.899 0.02 0.596 2 . . . . A 6 LEU HD11 . 30599 1 44 . 1 . 1 6 6 LEU HD12 H 1 0.899 0.02 0.596 2 . . . . A 6 LEU HD12 . 30599 1 45 . 1 . 1 6 6 LEU HD13 H 1 0.899 0.02 0.596 2 . . . . A 6 LEU HD13 . 30599 1 46 . 1 . 1 6 6 LEU HD21 H 1 0.899 0.02 0.086 2 . . . . A 6 LEU HD21 . 30599 1 47 . 1 . 1 6 6 LEU HD22 H 1 0.899 0.02 0.086 2 . . . . A 6 LEU HD22 . 30599 1 48 . 1 . 1 6 6 LEU HD23 H 1 0.899 0.02 0.086 2 . . . . A 6 LEU HD23 . 30599 1 49 . 1 . 1 6 6 LEU C C 13 178.040 0.20 1.000 1 . . . . A 6 LEU C . 30599 1 50 . 1 . 1 6 6 LEU CA C 13 55.528 0.20 1.000 1 . . . . A 6 LEU CA . 30599 1 51 . 1 . 1 6 6 LEU CB C 13 42.388 0.20 1.000 1 . . . . A 6 LEU CB . 30599 1 52 . 1 . 1 6 6 LEU CG C 13 27.278 0.20 0.875 1 . . . . A 6 LEU CG . 30599 1 53 . 1 . 1 6 6 LEU CD1 C 13 23.548 0.20 0.818 2 . . . . A 6 LEU CD1 . 30599 1 54 . 1 . 1 6 6 LEU CD2 C 13 25.078 0.20 0.094 2 . . . . A 6 LEU CD2 . 30599 1 55 . 1 . 1 6 6 LEU N N 15 123.399 0.20 1.000 1 . . . . A 6 LEU N . 30599 1 56 . 1 . 1 7 7 THR H H 1 8.053 0.02 1.000 1 . . . . A 7 THR H . 30599 1 57 . 1 . 1 7 7 THR HA H 1 4.307 0.02 0.613 1 . . . . A 7 THR HA . 30599 1 58 . 1 . 1 7 7 THR HG21 H 1 1.256 0.02 1.000 1 . . . . A 7 THR HG21 . 30599 1 59 . 1 . 1 7 7 THR HG22 H 1 1.256 0.02 1.000 1 . . . . A 7 THR HG22 . 30599 1 60 . 1 . 1 7 7 THR HG23 H 1 1.256 0.02 1.000 1 . . . . A 7 THR HG23 . 30599 1 61 . 1 . 1 7 7 THR C C 13 174.740 0.20 1.000 1 . . . . A 7 THR C . 30599 1 62 . 1 . 1 7 7 THR CA C 13 62.208 0.20 1.000 1 . . . . A 7 THR CA . 30599 1 63 . 1 . 1 7 7 THR CB C 13 70.108 0.20 0.587 1 . . . . A 7 THR CB . 30599 1 64 . 1 . 1 7 7 THR CG2 C 13 21.938 0.20 1.000 1 . . . . A 7 THR CG2 . 30599 1 65 . 1 . 1 7 7 THR N N 15 114.525 0.20 1.000 1 . . . . A 7 THR N . 30599 1 66 . 1 . 1 8 8 ALA H H 1 8.422 0.02 1.000 1 . . . . A 8 ALA H . 30599 1 67 . 1 . 1 8 8 ALA HA H 1 4.286 0.02 1.000 1 . . . . A 8 ALA HA . 30599 1 68 . 1 . 1 8 8 ALA HB1 H 1 1.443 0.02 1.000 1 . . . . A 8 ALA HB1 . 30599 1 69 . 1 . 1 8 8 ALA HB2 H 1 1.443 0.02 1.000 1 . . . . A 8 ALA HB2 . 30599 1 70 . 1 . 1 8 8 ALA HB3 H 1 1.443 0.02 1.000 1 . . . . A 8 ALA HB3 . 30599 1 71 . 1 . 1 8 8 ALA C C 13 178.740 0.20 1.000 1 . . . . A 8 ALA C . 30599 1 72 . 1 . 1 8 8 ALA CA C 13 53.168 0.20 1.000 1 . . . . A 8 ALA CA . 30599 1 73 . 1 . 1 8 8 ALA CB C 13 18.836 0.20 1.000 1 . . . . A 8 ALA CB . 30599 1 74 . 1 . 1 8 8 ALA N N 15 125.718 0.20 1.000 1 . . . . A 8 ALA N . 30599 1 75 . 1 . 1 9 9 ASP H H 1 8.380 0.02 1.000 1 . . . . A 9 ASP H . 30599 1 76 . 1 . 1 9 9 ASP HA H 1 4.485 0.02 1.000 1 . . . . A 9 ASP HA . 30599 1 77 . 1 . 1 9 9 ASP HB2 H 1 2.670 0.02 0.728 2 . . . . A 9 ASP HB2 . 30599 1 78 . 1 . 1 9 9 ASP HB3 H 1 2.670 0.02 0.767 2 . . . . A 9 ASP HB3 . 30599 1 79 . 1 . 1 9 9 ASP C C 13 177.440 0.20 1.000 1 . . . . A 9 ASP C . 30599 1 80 . 1 . 1 9 9 ASP CA C 13 55.828 0.20 1.000 1 . . . . A 9 ASP CA . 30599 1 81 . 1 . 1 9 9 ASP CB C 13 40.928 0.20 1.000 1 . . . . A 9 ASP CB . 30599 1 82 . 1 . 1 9 9 ASP N N 15 119.045 0.20 1.000 1 . . . . A 9 ASP N . 30599 1 83 . 1 . 1 10 10 ALA H H 1 8.154 0.02 1.000 1 . . . . A 10 ALA H . 30599 1 84 . 1 . 1 10 10 ALA HA H 1 4.189 0.02 1.000 1 . . . . A 10 ALA HA . 30599 1 85 . 1 . 1 10 10 ALA HB1 H 1 1.482 0.02 1.000 1 . . . . A 10 ALA HB1 . 30599 1 86 . 1 . 1 10 10 ALA HB2 H 1 1.482 0.02 1.000 1 . . . . A 10 ALA HB2 . 30599 1 87 . 1 . 1 10 10 ALA HB3 H 1 1.482 0.02 1.000 1 . . . . A 10 ALA HB3 . 30599 1 88 . 1 . 1 10 10 ALA C C 13 179.740 0.20 1.000 1 . . . . A 10 ALA C . 30599 1 89 . 1 . 1 10 10 ALA CA C 13 54.338 0.20 1.000 1 . . . . A 10 ALA CA . 30599 1 90 . 1 . 1 10 10 ALA CB C 13 18.728 0.20 1.000 1 . . . . A 10 ALA CB . 30599 1 91 . 1 . 1 10 10 ALA N N 15 123.748 0.20 1.000 1 . . . . A 10 ALA N . 30599 1 92 . 1 . 1 11 11 GLU H H 1 8.210 0.02 1.000 1 . . . . A 11 GLU H . 30599 1 93 . 1 . 1 11 11 GLU HA H 1 4.262 0.02 0.441 1 . . . . A 11 GLU HA . 30599 1 94 . 1 . 1 11 11 GLU HB2 H 1 2.067 0.02 0.427 2 . . . . A 11 GLU HB2 . 30599 1 95 . 1 . 1 11 11 GLU HB3 H 1 2.067 0.02 0.570 2 . . . . A 11 GLU HB3 . 30599 1 96 . 1 . 1 11 11 GLU HG2 H 1 2.287 0.02 0.077 2 . . . . A 11 GLU HG2 . 30599 1 97 . 1 . 1 11 11 GLU HG3 H 1 2.287 0.02 0.063 2 . . . . A 11 GLU HG3 . 30599 1 98 . 1 . 1 11 11 GLU C C 13 177.840 0.20 1.000 1 . . . . A 11 GLU C . 30599 1 99 . 1 . 1 11 11 GLU CA C 13 58.078 0.20 1.000 1 . . . . A 11 GLU CA . 30599 1 100 . 1 . 1 11 11 GLU CB C 13 29.618 0.20 1.000 1 . . . . A 11 GLU CB . 30599 1 101 . 1 . 1 11 11 GLU CG C 13 36.128 0.20 1.000 1 . . . . A 11 GLU CG . 30599 1 102 . 1 . 1 11 11 GLU N N 15 119.628 0.20 1.000 1 . . . . A 11 GLU N . 30599 1 103 . 1 . 1 12 12 LEU H H 1 7.935 0.02 1.000 1 . . . . A 12 LEU H . 30599 1 104 . 1 . 1 12 12 LEU HA H 1 4.176 0.02 1.000 1 . . . . A 12 LEU HA . 30599 1 105 . 1 . 1 12 12 LEU HB2 H 1 1.792 0.02 0.386 2 . . . . A 12 LEU HB2 . 30599 1 106 . 1 . 1 12 12 LEU HB3 H 1 1.792 0.02 0.559 2 . . . . A 12 LEU HB3 . 30599 1 107 . 1 . 1 12 12 LEU HG H 1 1.650 0.02 0.527 1 . . . . A 12 LEU HG . 30599 1 108 . 1 . 1 12 12 LEU HD11 H 1 0.974 0.02 0.568 2 . . . . A 12 LEU HD11 . 30599 1 109 . 1 . 1 12 12 LEU HD12 H 1 0.974 0.02 0.568 2 . . . . A 12 LEU HD12 . 30599 1 110 . 1 . 1 12 12 LEU HD13 H 1 0.974 0.02 0.568 2 . . . . A 12 LEU HD13 . 30599 1 111 . 1 . 1 12 12 LEU HD21 H 1 0.974 0.02 0.142 2 . . . . A 12 LEU HD21 . 30599 1 112 . 1 . 1 12 12 LEU HD22 H 1 0.974 0.02 0.142 2 . . . . A 12 LEU HD22 . 30599 1 113 . 1 . 1 12 12 LEU HD23 H 1 0.974 0.02 0.142 2 . . . . A 12 LEU HD23 . 30599 1 114 . 1 . 1 12 12 LEU C C 13 179.140 0.20 1.000 1 . . . . A 12 LEU C . 30599 1 115 . 1 . 1 12 12 LEU CA C 13 57.158 0.20 1.000 1 . . . . A 12 LEU CA . 30599 1 116 . 1 . 1 12 12 LEU CB C 13 41.758 0.20 1.000 1 . . . . A 12 LEU CB . 30599 1 117 . 1 . 1 12 12 LEU CG C 13 27.178 0.20 0.750 1 . . . . A 12 LEU CG . 30599 1 118 . 1 . 1 12 12 LEU N N 15 120.540 0.20 1.000 1 . . . . A 12 LEU N . 30599 1 119 . 1 . 1 13 13 GLN H H 1 8.058 0.02 1.000 1 . . . . A 13 GLN H . 30599 1 120 . 1 . 1 13 13 GLN HA H 1 4.095 0.02 0.673 1 . . . . A 13 GLN HA . 30599 1 121 . 1 . 1 13 13 GLN HB2 H 1 2.105 0.02 0.599 2 . . . . A 13 GLN HB2 . 30599 1 122 . 1 . 1 13 13 GLN HB3 H 1 2.105 0.02 0.331 2 . . . . A 13 GLN HB3 . 30599 1 123 . 1 . 1 13 13 GLN HG2 H 1 2.414 0.02 0.539 2 . . . . A 13 GLN HG2 . 30599 1 124 . 1 . 1 13 13 GLN HG3 H 1 2.414 0.02 0.268 2 . . . . A 13 GLN HG3 . 30599 1 125 . 1 . 1 13 13 GLN C C 13 177.240 0.20 1.000 1 . . . . A 13 GLN C . 30599 1 126 . 1 . 1 13 13 GLN CA C 13 57.548 0.20 0.733 1 . . . . A 13 GLN CA . 30599 1 127 . 1 . 1 13 13 GLN CB C 13 28.268 0.20 0.209 1 . . . . A 13 GLN CB . 30599 1 128 . 1 . 1 13 13 GLN CG C 13 33.908 0.20 1.000 1 . . . . A 13 GLN CG . 30599 1 129 . 1 . 1 13 13 GLN N N 15 118.520 0.20 1.000 1 . . . . A 13 GLN N . 30599 1 130 . 1 . 1 14 14 ARG H H 1 7.994 0.02 1.000 1 . . . . A 14 ARG H . 30599 1 131 . 1 . 1 14 14 ARG HA H 1 4.178 0.02 0.553 1 . . . . A 14 ARG HA . 30599 1 132 . 1 . 1 14 14 ARG HB2 H 1 1.997 0.02 0.502 2 . . . . A 14 ARG HB2 . 30599 1 133 . 1 . 1 14 14 ARG HB3 H 1 1.997 0.02 0.523 2 . . . . A 14 ARG HB3 . 30599 1 134 . 1 . 1 14 14 ARG HG2 H 1 1.579 0.02 0.502 2 . . . . A 14 ARG HG2 . 30599 1 135 . 1 . 1 14 14 ARG HG3 H 1 1.579 0.02 0.523 2 . . . . A 14 ARG HG3 . 30599 1 136 . 1 . 1 14 14 ARG C C 13 177.840 0.20 1.000 1 . . . . A 14 ARG C . 30599 1 137 . 1 . 1 14 14 ARG CA C 13 58.328 0.20 1.000 1 . . . . A 14 ARG CA . 30599 1 138 . 1 . 1 14 14 ARG CB C 13 30.368 0.20 1.000 1 . . . . A 14 ARG CB . 30599 1 139 . 1 . 1 14 14 ARG CG C 13 27.248 0.20 1.000 1 . . . . A 14 ARG CG . 30599 1 140 . 1 . 1 14 14 ARG CD C 13 43.378 0.20 1.000 1 . . . . A 14 ARG CD . 30599 1 141 . 1 . 1 14 14 ARG N N 15 120.930 0.20 1.000 1 . . . . A 14 ARG N . 30599 1 142 . 1 . 1 15 15 LEU H H 1 8.112 0.02 1.000 1 . . . . A 15 LEU H . 30599 1 143 . 1 . 1 15 15 LEU HA H 1 4.179 0.02 0.846 1 . . . . A 15 LEU HA . 30599 1 144 . 1 . 1 15 15 LEU HB2 H 1 1.816 0.02 0.481 2 . . . . A 15 LEU HB2 . 30599 1 145 . 1 . 1 15 15 LEU HB3 H 1 1.816 0.02 0.094 2 . . . . A 15 LEU HB3 . 30599 1 146 . 1 . 1 15 15 LEU HG H 1 1.585 0.02 0.376 1 . . . . A 15 LEU HG . 30599 1 147 . 1 . 1 15 15 LEU HD11 H 1 0.912 0.02 0.634 2 . . . . A 15 LEU HD11 . 30599 1 148 . 1 . 1 15 15 LEU HD12 H 1 0.912 0.02 0.634 2 . . . . A 15 LEU HD12 . 30599 1 149 . 1 . 1 15 15 LEU HD13 H 1 0.912 0.02 0.634 2 . . . . A 15 LEU HD13 . 30599 1 150 . 1 . 1 15 15 LEU HD21 H 1 0.912 0.02 0.065 2 . . . . A 15 LEU HD21 . 30599 1 151 . 1 . 1 15 15 LEU HD22 H 1 0.912 0.02 0.065 2 . . . . A 15 LEU HD22 . 30599 1 152 . 1 . 1 15 15 LEU HD23 H 1 0.912 0.02 0.065 2 . . . . A 15 LEU HD23 . 30599 1 153 . 1 . 1 15 15 LEU C C 13 179.040 0.20 0.558 1 . . . . A 15 LEU C . 30599 1 154 . 1 . 1 15 15 LEU CA C 13 56.738 0.20 1.000 1 . . . . A 15 LEU CA . 30599 1 155 . 1 . 1 15 15 LEU CB C 13 42.168 0.20 1.000 1 . . . . A 15 LEU CB . 30599 1 156 . 1 . 1 15 15 LEU CG C 13 30.358 0.20 0.329 1 . . . . A 15 LEU CG . 30599 1 157 . 1 . 1 15 15 LEU CD1 C 13 27.368 0.20 0.493 2 . . . . A 15 LEU CD1 . 30599 1 158 . 1 . 1 15 15 LEU CD2 C 13 25.498 0.20 0.420 1 . . . . A 15 LEU CD2 . 30599 1 159 . 1 . 1 15 15 LEU N N 15 120.540 0.20 1.000 1 . . . . A 15 LEU N . 30599 1 160 . 1 . 1 16 16 LYS H H 1 8.105 0.02 0.333 1 . . . . A 16 LYS H . 30599 1 161 . 1 . 1 16 16 LYS HA H 1 4.180 0.02 1.000 1 . . . . A 16 LYS HA . 30599 1 162 . 1 . 1 16 16 LYS HB2 H 1 1.878 0.02 0.442 2 . . . . A 16 LYS HB2 . 30599 1 163 . 1 . 1 16 16 LYS HB3 H 1 1.878 0.02 0.486 2 . . . . A 16 LYS HB3 . 30599 1 164 . 1 . 1 16 16 LYS HG2 H 1 1.434 0.02 0.857 2 . . . . A 16 LYS HG2 . 30599 1 165 . 1 . 1 16 16 LYS HG3 H 1 1.434 0.02 0.411 2 . . . . A 16 LYS HG3 . 30599 1 166 . 1 . 1 16 16 LYS HD2 H 1 1.550 0.02 0.481 2 . . . . A 16 LYS HD2 . 30599 1 167 . 1 . 1 16 16 LYS HD3 H 1 1.550 0.02 0.443 2 . . . . A 16 LYS HD3 . 30599 1 168 . 1 . 1 16 16 LYS C C 13 177.940 0.20 1.000 1 . . . . A 16 LYS C . 30599 1 169 . 1 . 1 16 16 LYS CA C 13 58.038 0.20 1.000 1 . . . . A 16 LYS CA . 30599 1 170 . 1 . 1 16 16 LYS CB C 13 32.708 0.20 1.000 1 . . . . A 16 LYS CB . 30599 1 171 . 1 . 1 16 16 LYS CG C 13 25.238 0.20 1.000 1 . . . . A 16 LYS CG . 30599 1 172 . 1 . 1 16 16 LYS CE C 13 42.328 0.20 1.000 1 . . . . A 16 LYS CE . 30599 1 173 . 1 . 1 16 16 LYS N N 15 120.910 0.20 0.558 1 . . . . A 16 LYS N . 30599 1 174 . 1 . 1 17 17 ASN H H 1 8.397 0.02 1.000 1 . . . . A 17 ASN H . 30599 1 175 . 1 . 1 17 17 ASN HA H 1 4.635 0.02 1.000 1 . . . . A 17 ASN HA . 30599 1 176 . 1 . 1 17 17 ASN HB2 H 1 2.915 0.02 0.510 2 . . . . A 17 ASN HB2 . 30599 1 177 . 1 . 1 17 17 ASN HB3 H 1 2.915 0.02 0.646 2 . . . . A 17 ASN HB3 . 30599 1 178 . 1 . 1 17 17 ASN C C 13 176.640 0.20 1.000 1 . . . . A 17 ASN C . 30599 1 179 . 1 . 1 17 17 ASN CA C 13 54.498 0.20 1.000 1 . . . . A 17 ASN CA . 30599 1 180 . 1 . 1 17 17 ASN CB C 13 38.398 0.20 1.000 1 . . . . A 17 ASN CB . 30599 1 181 . 1 . 1 17 17 ASN N N 15 119.918 0.20 1.000 1 . . . . A 17 ASN N . 30599 1 182 . 1 . 1 18 18 GLU H H 1 8.517 0.02 1.000 1 . . . . A 18 GLU H . 30599 1 183 . 1 . 1 18 18 GLU HA H 1 4.178 0.02 1.000 1 . . . . A 18 GLU HA . 30599 1 184 . 1 . 1 18 18 GLU HB2 H 1 2.064 0.02 0.450 2 . . . . A 18 GLU HB2 . 30599 1 185 . 1 . 1 18 18 GLU HB3 H 1 2.064 0.02 0.115 2 . . . . A 18 GLU HB3 . 30599 1 186 . 1 . 1 18 18 GLU HG2 H 1 2.435 0.02 0.682 2 . . . . A 18 GLU HG2 . 30599 1 187 . 1 . 1 18 18 GLU HG3 H 1 2.435 0.02 0.300 2 . . . . A 18 GLU HG3 . 30599 1 188 . 1 . 1 18 18 GLU C C 13 177.740 0.20 1.000 1 . . . . A 18 GLU C . 30599 1 189 . 1 . 1 18 18 GLU CA C 13 58.468 0.20 1.000 1 . . . . A 18 GLU CA . 30599 1 190 . 1 . 1 18 18 GLU CB C 13 29.828 0.20 1.000 1 . . . . A 18 GLU CB . 30599 1 191 . 1 . 1 18 18 GLU CG C 13 36.488 0.20 1.000 1 . . . . A 18 GLU CG . 30599 1 192 . 1 . 1 18 18 GLU N N 15 121.510 0.20 1.000 1 . . . . A 18 GLU N . 30599 1 193 . 1 . 1 19 19 ALA H H 1 8.141 0.02 1.000 1 . . . . A 19 ALA H . 30599 1 194 . 1 . 1 19 19 ALA HA H 1 4.300 0.02 1.000 1 . . . . A 19 ALA HA . 30599 1 195 . 1 . 1 19 19 ALA HB1 H 1 1.492 0.02 0.798 1 . . . . A 19 ALA HB1 . 30599 1 196 . 1 . 1 19 19 ALA HB2 H 1 1.492 0.02 0.798 1 . . . . A 19 ALA HB2 . 30599 1 197 . 1 . 1 19 19 ALA HB3 H 1 1.492 0.02 0.798 1 . . . . A 19 ALA HB3 . 30599 1 198 . 1 . 1 19 19 ALA C C 13 179.440 0.20 1.000 1 . . . . A 19 ALA C . 30599 1 199 . 1 . 1 19 19 ALA CA C 13 53.858 0.20 1.000 1 . . . . A 19 ALA CA . 30599 1 200 . 1 . 1 19 19 ALA CB C 13 18.618 0.20 1.000 1 . . . . A 19 ALA CB . 30599 1 201 . 1 . 1 19 19 ALA N N 15 122.952 0.20 1.000 1 . . . . A 19 ALA N . 30599 1 202 . 1 . 1 20 20 ALA H H 1 8.081 0.02 1.000 1 . . . . A 20 ALA H . 30599 1 203 . 1 . 1 20 20 ALA HA H 1 4.275 0.02 1.000 1 . . . . A 20 ALA HA . 30599 1 204 . 1 . 1 20 20 ALA HB1 H 1 1.504 0.02 0.798 1 . . . . A 20 ALA HB1 . 30599 1 205 . 1 . 1 20 20 ALA HB2 H 1 1.504 0.02 0.798 1 . . . . A 20 ALA HB2 . 30599 1 206 . 1 . 1 20 20 ALA HB3 H 1 1.504 0.02 0.798 1 . . . . A 20 ALA HB3 . 30599 1 207 . 1 . 1 20 20 ALA C C 13 179.640 0.20 1.000 1 . . . . A 20 ALA C . 30599 1 208 . 1 . 1 20 20 ALA CA C 13 54.008 0.20 1.000 1 . . . . A 20 ALA CA . 30599 1 209 . 1 . 1 20 20 ALA CB C 13 18.728 0.20 1.000 1 . . . . A 20 ALA CB . 30599 1 210 . 1 . 1 20 20 ALA N N 15 122.556 0.20 1.000 1 . . . . A 20 ALA N . 30599 1 211 . 1 . 1 21 21 GLU H H 1 8.268 0.02 1.000 1 . . . . A 21 GLU H . 30599 1 212 . 1 . 1 21 21 GLU HA H 1 4.182 0.02 1.000 1 . . . . A 21 GLU HA . 30599 1 213 . 1 . 1 21 21 GLU HB2 H 1 2.106 0.02 0.488 2 . . . . A 21 GLU HB2 . 30599 1 214 . 1 . 1 21 21 GLU HB3 H 1 2.106 0.02 0.545 2 . . . . A 21 GLU HB3 . 30599 1 215 . 1 . 1 21 21 GLU HG2 H 1 2.436 0.02 0.074 2 . . . . A 21 GLU HG2 . 30599 1 216 . 1 . 1 21 21 GLU HG3 H 1 2.436 0.02 0.219 2 . . . . A 21 GLU HG3 . 30599 1 217 . 1 . 1 21 21 GLU C C 13 178.440 0.20 1.000 1 . . . . A 21 GLU C . 30599 1 218 . 1 . 1 21 21 GLU CA C 13 58.468 0.20 1.000 1 . . . . A 21 GLU CA . 30599 1 219 . 1 . 1 21 21 GLU CB C 13 29.948 0.20 0.829 1 . . . . A 21 GLU CB . 30599 1 220 . 1 . 1 21 21 GLU CG C 13 36.458 0.20 1.000 1 . . . . A 21 GLU CG . 30599 1 221 . 1 . 1 21 21 GLU N N 15 119.950 0.20 1.000 1 . . . . A 21 GLU N . 30599 1 222 . 1 . 1 22 22 GLU H H 1 8.305 0.02 1.000 1 . . . . A 22 GLU H . 30599 1 223 . 1 . 1 22 22 GLU HA H 1 4.106 0.02 1.000 1 . . . . A 22 GLU HA . 30599 1 224 . 1 . 1 22 22 GLU HB2 H 1 2.110 0.02 0.473 2 . . . . A 22 GLU HB2 . 30599 1 225 . 1 . 1 22 22 GLU HB3 H 1 2.110 0.02 0.526 2 . . . . A 22 GLU HB3 . 30599 1 226 . 1 . 1 22 22 GLU HG2 H 1 2.364 0.02 0.478 2 . . . . A 22 GLU HG2 . 30599 1 227 . 1 . 1 22 22 GLU HG3 H 1 2.364 0.02 0.061 2 . . . . A 22 GLU HG3 . 30599 1 228 . 1 . 1 22 22 GLU C C 13 178.240 0.20 1.000 1 . . . . A 22 GLU C . 30599 1 229 . 1 . 1 22 22 GLU CA C 13 58.468 0.20 1.000 1 . . . . A 22 GLU CA . 30599 1 230 . 1 . 1 22 22 GLU CB C 13 29.948 0.20 1.000 1 . . . . A 22 GLU CB . 30599 1 231 . 1 . 1 22 22 GLU CG C 13 36.458 0.20 1.000 1 . . . . A 22 GLU CG . 30599 1 232 . 1 . 1 22 22 GLU N N 15 120.753 0.20 1.000 1 . . . . A 22 GLU N . 30599 1 233 . 1 . 1 23 23 ALA H H 1 8.143 0.02 1.000 1 . . . . A 23 ALA H . 30599 1 234 . 1 . 1 23 23 ALA HA H 1 4.234 0.02 1.000 1 . . . . A 23 ALA HA . 30599 1 235 . 1 . 1 23 23 ALA HB1 H 1 1.506 0.02 0.798 1 . . . . A 23 ALA HB1 . 30599 1 236 . 1 . 1 23 23 ALA HB2 H 1 1.506 0.02 0.798 1 . . . . A 23 ALA HB2 . 30599 1 237 . 1 . 1 23 23 ALA HB3 H 1 1.506 0.02 0.798 1 . . . . A 23 ALA HB3 . 30599 1 238 . 1 . 1 23 23 ALA C C 13 180.040 0.20 1.000 1 . . . . A 23 ALA C . 30599 1 239 . 1 . 1 23 23 ALA CA C 13 54.478 0.20 1.000 1 . . . . A 23 ALA CA . 30599 1 240 . 1 . 1 23 23 ALA CB C 13 18.486 0.20 1.000 1 . . . . A 23 ALA CB . 30599 1 241 . 1 . 1 23 23 ALA N N 15 122.147 0.20 1.000 1 . . . . A 23 ALA N . 30599 1 242 . 1 . 1 24 24 GLU H H 1 8.000 0.02 1.000 1 . . . . A 24 GLU H . 30599 1 243 . 1 . 1 24 24 GLU HA H 1 4.286 0.02 1.000 1 . . . . A 24 GLU HA . 30599 1 244 . 1 . 1 24 24 GLU HB2 H 1 2.101 0.02 0.477 2 . . . . A 24 GLU HB2 . 30599 1 245 . 1 . 1 24 24 GLU HB3 H 1 2.101 0.02 0.522 2 . . . . A 24 GLU HB3 . 30599 1 246 . 1 . 1 24 24 GLU HG2 H 1 2.337 0.02 0.476 2 . . . . A 24 GLU HG2 . 30599 1 247 . 1 . 1 24 24 GLU HG3 H 1 2.337 0.02 0.465 2 . . . . A 24 GLU HG3 . 30599 1 248 . 1 . 1 24 24 GLU C C 13 178.040 0.20 1.000 1 . . . . A 24 GLU C . 30599 1 249 . 1 . 1 24 24 GLU CA C 13 58.278 0.20 1.000 1 . . . . A 24 GLU CA . 30599 1 250 . 1 . 1 24 24 GLU CB C 13 29.508 0.20 1.000 1 . . . . A 24 GLU CB . 30599 1 251 . 1 . 1 24 24 GLU CG C 13 35.698 0.20 1.000 1 . . . . A 24 GLU CG . 30599 1 252 . 1 . 1 24 24 GLU N N 15 119.871 0.20 1.000 1 . . . . A 24 GLU N . 30599 1 253 . 1 . 1 25 25 LEU H H 1 7.993 0.02 1.000 1 . . . . A 25 LEU H . 30599 1 254 . 1 . 1 25 25 LEU HA H 1 4.132 0.02 0.330 1 . . . . A 25 LEU HA . 30599 1 255 . 1 . 1 25 25 LEU HB2 H 1 1.881 0.02 0.487 2 . . . . A 25 LEU HB2 . 30599 1 256 . 1 . 1 25 25 LEU HB3 H 1 1.881 0.02 0.495 2 . . . . A 25 LEU HB3 . 30599 1 257 . 1 . 1 25 25 LEU HG H 1 1.616 0.02 0.395 1 . . . . A 25 LEU HG . 30599 1 258 . 1 . 1 25 25 LEU C C 13 179.840 0.20 1.000 1 . . . . A 25 LEU C . 30599 1 259 . 1 . 1 25 25 LEU CA C 13 57.738 0.20 1.000 1 . . . . A 25 LEU CA . 30599 1 260 . 1 . 1 25 25 LEU CB C 13 41.828 0.20 0.625 1 . . . . A 25 LEU CB . 30599 1 261 . 1 . 1 25 25 LEU CG C 13 27.148 0.20 0.375 1 . . . . A 25 LEU CG . 30599 1 262 . 1 . 1 25 25 LEU N N 15 120.357 0.20 1.000 1 . . . . A 25 LEU N . 30599 1 263 . 1 . 1 26 26 GLU H H 1 8.102 0.02 1.000 1 . . . . A 26 GLU H . 30599 1 264 . 1 . 1 26 26 GLU HA H 1 4.082 0.02 1.000 1 . . . . A 26 GLU HA . 30599 1 265 . 1 . 1 26 26 GLU HB2 H 1 2.107 0.02 0.448 2 . . . . A 26 GLU HB2 . 30599 1 266 . 1 . 1 26 26 GLU HB3 H 1 2.107 0.02 0.481 2 . . . . A 26 GLU HB3 . 30599 1 267 . 1 . 1 26 26 GLU HG2 H 1 2.340 0.02 0.442 2 . . . . A 26 GLU HG2 . 30599 1 268 . 1 . 1 26 26 GLU HG3 H 1 2.340 0.02 0.488 2 . . . . A 26 GLU HG3 . 30599 1 269 . 1 . 1 26 26 GLU C C 13 178.174 0.20 1.000 1 . . . . A 26 GLU C . 30599 1 270 . 1 . 1 26 26 GLU CA C 13 58.668 0.20 1.000 1 . . . . A 26 GLU CA . 30599 1 271 . 1 . 1 26 26 GLU CB C 13 29.628 0.20 1.000 1 . . . . A 26 GLU CB . 30599 1 272 . 1 . 1 26 26 GLU CG C 13 36.138 0.20 1.000 1 . . . . A 26 GLU CG . 30599 1 273 . 1 . 1 26 26 GLU N N 15 118.971 0.20 1.000 1 . . . . A 26 GLU N . 30599 1 274 . 1 . 1 27 27 ARG H H 1 8.008 0.02 1.000 1 . . . . A 27 ARG H . 30599 1 275 . 1 . 1 27 27 ARG HA H 1 4.125 0.02 1.000 1 . . . . A 27 ARG HA . 30599 1 276 . 1 . 1 27 27 ARG HB2 H 1 2.072 0.02 0.408 2 . . . . A 27 ARG HB2 . 30599 1 277 . 1 . 1 27 27 ARG HB3 H 1 2.072 0.02 0.545 2 . . . . A 27 ARG HB3 . 30599 1 278 . 1 . 1 27 27 ARG C C 13 178.640 0.20 1.000 1 . . . . A 27 ARG C . 30599 1 279 . 1 . 1 27 27 ARG CA C 13 58.938 0.20 1.000 1 . . . . A 27 ARG CA . 30599 1 280 . 1 . 1 27 27 ARG CB C 13 30.358 0.20 1.000 1 . . . . A 27 ARG CB . 30599 1 281 . 1 . 1 27 27 ARG N N 15 121.398 0.20 1.000 1 . . . . A 27 ARG N . 30599 1 282 . 1 . 1 28 28 LEU H H 1 8.139 0.02 1.000 1 . . . . A 28 LEU H . 30599 1 283 . 1 . 1 28 28 LEU HA H 1 4.117 0.02 0.330 1 . . . . A 28 LEU HA . 30599 1 284 . 1 . 1 28 28 LEU HB2 H 1 1.833 0.02 0.487 2 . . . . A 28 LEU HB2 . 30599 1 285 . 1 . 1 28 28 LEU HB3 H 1 1.833 0.02 0.495 2 . . . . A 28 LEU HB3 . 30599 1 286 . 1 . 1 28 28 LEU HG H 1 1.577 0.02 0.395 1 . . . . A 28 LEU HG . 30599 1 287 . 1 . 1 28 28 LEU HD11 H 1 0.883 0.02 0.632 2 . . . . A 28 LEU HD11 . 30599 1 288 . 1 . 1 28 28 LEU HD12 H 1 0.883 0.02 0.632 2 . . . . A 28 LEU HD12 . 30599 1 289 . 1 . 1 28 28 LEU HD13 H 1 0.883 0.02 0.632 2 . . . . A 28 LEU HD13 . 30599 1 290 . 1 . 1 28 28 LEU HD21 H 1 0.883 0.02 0.065 2 . . . . A 28 LEU HD21 . 30599 1 291 . 1 . 1 28 28 LEU HD22 H 1 0.883 0.02 0.065 2 . . . . A 28 LEU HD22 . 30599 1 292 . 1 . 1 28 28 LEU HD23 H 1 0.883 0.02 0.065 2 . . . . A 28 LEU HD23 . 30599 1 293 . 1 . 1 28 28 LEU C C 13 179.240 0.20 1.000 1 . . . . A 28 LEU C . 30599 1 294 . 1 . 1 28 28 LEU CA C 13 57.078 0.20 1.000 1 . . . . A 28 LEU CA . 30599 1 295 . 1 . 1 28 28 LEU CB C 13 42.128 0.20 1.000 1 . . . . A 28 LEU CB . 30599 1 296 . 1 . 1 28 28 LEU N N 15 119.928 0.20 1.000 1 . . . . A 28 LEU N . 30599 1 297 . 1 . 1 29 29 LYS H H 1 7.967 0.02 1.000 1 . . . . A 29 LYS H . 30599 1 298 . 1 . 1 29 29 LYS HA H 1 4.102 0.02 1.000 1 . . . . A 29 LYS HA . 30599 1 299 . 1 . 1 29 29 LYS HB2 H 1 1.901 0.02 0.491 2 . . . . A 29 LYS HB2 . 30599 1 300 . 1 . 1 29 29 LYS HB3 H 1 1.901 0.02 0.436 2 . . . . A 29 LYS HB3 . 30599 1 301 . 1 . 1 29 29 LYS HG2 H 1 1.409 0.02 0.408 2 . . . . A 29 LYS HG2 . 30599 1 302 . 1 . 1 29 29 LYS HG3 H 1 1.409 0.02 0.479 2 . . . . A 29 LYS HG3 . 30599 1 303 . 1 . 1 29 29 LYS HD2 H 1 1.592 0.02 0.351 2 . . . . A 29 LYS HD2 . 30599 1 304 . 1 . 1 29 29 LYS HD3 H 1 1.592 0.02 0.406 2 . . . . A 29 LYS HD3 . 30599 1 305 . 1 . 1 29 29 LYS C C 13 178.340 0.20 1.000 1 . . . . A 29 LYS C . 30599 1 306 . 1 . 1 29 29 LYS CA C 13 58.718 0.20 1.000 1 . . . . A 29 LYS CA . 30599 1 307 . 1 . 1 29 29 LYS CB C 13 32.808 0.20 1.000 1 . . . . A 29 LYS CB . 30599 1 308 . 1 . 1 29 29 LYS CG C 13 25.338 0.20 1.000 1 . . . . A 29 LYS CG . 30599 1 309 . 1 . 1 29 29 LYS N N 15 119.654 0.20 1.000 1 . . . . A 29 LYS N . 30599 1 310 . 1 . 1 30 30 SER H H 1 8.053 0.02 1.000 1 . . . . A 30 SER H . 30599 1 311 . 1 . 1 30 30 SER HA H 1 4.351 0.02 1.000 1 . . . . A 30 SER HA . 30599 1 312 . 1 . 1 30 30 SER HB2 H 1 3.997 0.02 0.083 2 . . . . A 30 SER HB2 . 30599 1 313 . 1 . 1 30 30 SER HB3 H 1 3.997 0.02 0.423 2 . . . . A 30 SER HB3 . 30599 1 314 . 1 . 1 30 30 SER C C 13 175.540 0.20 1.000 1 . . . . A 30 SER C . 30599 1 315 . 1 . 1 30 30 SER CA C 13 60.128 0.20 1.000 1 . . . . A 30 SER CA . 30599 1 316 . 1 . 1 30 30 SER CB C 13 63.588 0.20 1.000 1 . . . . A 30 SER CB . 30599 1 317 . 1 . 1 30 30 SER N N 15 115.189 0.20 1.000 1 . . . . A 30 SER N . 30599 1 318 . 1 . 1 31 31 GLU H H 1 8.165 0.02 1.000 1 . . . . A 31 GLU H . 30599 1 319 . 1 . 1 31 31 GLU HA H 1 4.234 0.02 1.000 1 . . . . A 31 GLU HA . 30599 1 320 . 1 . 1 31 31 GLU HB2 H 1 2.049 0.02 0.272 2 . . . . A 31 GLU HB2 . 30599 1 321 . 1 . 1 31 31 GLU HB3 H 1 2.049 0.02 0.639 2 . . . . A 31 GLU HB3 . 30599 1 322 . 1 . 1 31 31 GLU HG2 H 1 2.395 0.02 0.384 2 . . . . A 31 GLU HG2 . 30599 1 323 . 1 . 1 31 31 GLU HG3 H 1 2.243 0.02 0.495 2 . . . . A 31 GLU HG3 . 30599 1 324 . 1 . 1 31 31 GLU C C 13 177.440 0.20 1.000 1 . . . . A 31 GLU C . 30599 1 325 . 1 . 1 31 31 GLU CA C 13 57.758 0.20 0.724 1 . . . . A 31 GLU CA . 30599 1 326 . 1 . 1 31 31 GLU CB C 13 30.098 0.20 1.000 1 . . . . A 31 GLU CB . 30599 1 327 . 1 . 1 31 31 GLU CG C 13 36.528 0.20 1.000 1 . . . . A 31 GLU CG . 30599 1 328 . 1 . 1 31 31 GLU N N 15 122.042 0.20 1.000 1 . . . . A 31 GLU N . 30599 1 329 . 1 . 1 32 32 ARG H H 1 8.080 0.02 1.000 1 . . . . A 32 ARG H . 30599 1 330 . 1 . 1 32 32 ARG HA H 1 4.250 0.02 1.000 1 . . . . A 32 ARG HA . 30599 1 331 . 1 . 1 32 32 ARG HB2 H 1 1.860 0.02 0.408 2 . . . . A 32 ARG HB2 . 30599 1 332 . 1 . 1 32 32 ARG HB3 H 1 1.860 0.02 0.545 2 . . . . A 32 ARG HB3 . 30599 1 333 . 1 . 1 32 32 ARG HG2 H 1 1.645 0.02 0.408 2 . . . . A 32 ARG HG2 . 30599 1 334 . 1 . 1 32 32 ARG HG3 H 1 1.645 0.02 0.545 2 . . . . A 32 ARG HG3 . 30599 1 335 . 1 . 1 32 32 ARG C C 13 176.940 0.20 1.000 1 . . . . A 32 ARG C . 30599 1 336 . 1 . 1 32 32 ARG CA C 13 57.138 0.20 1.000 1 . . . . A 32 ARG CA . 30599 1 337 . 1 . 1 32 32 ARG CB C 13 30.638 0.20 1.000 1 . . . . A 32 ARG CB . 30599 1 338 . 1 . 1 32 32 ARG CG C 13 27.110 0.20 1.000 1 . . . . A 32 ARG CG . 30599 1 339 . 1 . 1 32 32 ARG N N 15 120.467 0.20 1.000 1 . . . . A 32 ARG N . 30599 1 340 . 1 . 1 33 33 HIS H H 1 8.337 0.02 1.000 1 . . . . A 33 HIS H . 30599 1 341 . 1 . 1 33 33 HIS HA H 1 4.621 0.02 1.000 1 . . . . A 33 HIS HA . 30599 1 342 . 1 . 1 33 33 HIS HB2 H 1 3.283 0.02 0.583 2 . . . . A 33 HIS HB2 . 30599 1 343 . 1 . 1 33 33 HIS HB3 H 1 3.190 0.02 0.805 2 . . . . A 33 HIS HB3 . 30599 1 344 . 1 . 1 33 33 HIS C C 13 176.940 0.20 1.000 1 . . . . A 33 HIS C . 30599 1 345 . 1 . 1 33 33 HIS CA C 13 56.898 0.20 1.000 1 . . . . A 33 HIS CA . 30599 1 346 . 1 . 1 33 33 HIS CB C 13 29.688 0.20 1.000 1 . . . . A 33 HIS CB . 30599 1 347 . 1 . 1 33 33 HIS N N 15 119.291 0.20 1.000 1 . . . . A 33 HIS N . 30599 1 348 . 1 . 1 34 34 ASP H H 1 8.376 0.02 1.000 1 . . . . A 34 ASP H . 30599 1 349 . 1 . 1 34 34 ASP HA H 1 4.515 0.02 1.000 1 . . . . A 34 ASP HA . 30599 1 350 . 1 . 1 34 34 ASP HB2 H 1 2.681 0.02 0.846 2 . . . . A 34 ASP HB2 . 30599 1 351 . 1 . 1 34 34 ASP HB3 H 1 2.681 0.02 0.305 2 . . . . A 34 ASP HB3 . 30599 1 352 . 1 . 1 34 34 ASP C C 13 176.940 0.20 1.000 1 . . . . A 34 ASP C . 30599 1 353 . 1 . 1 34 34 ASP CA C 13 55.488 0.20 0.845 1 . . . . A 34 ASP CA . 30599 1 354 . 1 . 1 34 34 ASP CB C 13 40.898 0.20 1.000 1 . . . . A 34 ASP CB . 30599 1 355 . 1 . 1 34 34 ASP N N 15 120.496 0.20 1.000 1 . . . . A 34 ASP N . 30599 1 356 . 1 . 1 35 35 HIS H H 1 8.354 0.02 1.000 1 . . . . A 35 HIS H . 30599 1 357 . 1 . 1 35 35 HIS HA H 1 4.493 0.02 1.000 1 . . . . A 35 HIS HA . 30599 1 358 . 1 . 1 35 35 HIS HB2 H 1 3.266 0.02 0.583 2 . . . . A 35 HIS HB2 . 30599 1 359 . 1 . 1 35 35 HIS HB3 H 1 3.266 0.02 0.805 2 . . . . A 35 HIS HB3 . 30599 1 360 . 1 . 1 35 35 HIS C C 13 175.840 0.20 1.000 1 . . . . A 35 HIS C . 30599 1 361 . 1 . 1 35 35 HIS CA C 13 57.518 0.20 1.000 1 . . . . A 35 HIS CA . 30599 1 362 . 1 . 1 35 35 HIS CB C 13 29.748 0.20 1.000 1 . . . . A 35 HIS CB . 30599 1 363 . 1 . 1 35 35 HIS N N 15 119.005 0.20 1.000 1 . . . . A 35 HIS N . 30599 1 364 . 1 . 1 36 36 ASP H H 1 8.428 0.02 1.000 1 . . . . A 36 ASP H . 30599 1 365 . 1 . 1 36 36 ASP HA H 1 4.495 0.02 1.000 1 . . . . A 36 ASP HA . 30599 1 366 . 1 . 1 36 36 ASP HB2 H 1 2.718 0.02 0.057 2 . . . . A 36 ASP HB2 . 30599 1 367 . 1 . 1 36 36 ASP HB3 H 1 2.718 0.02 0.403 2 . . . . A 36 ASP HB3 . 30599 1 368 . 1 . 1 36 36 ASP C C 13 177.440 0.20 1.000 1 . . . . A 36 ASP C . 30599 1 369 . 1 . 1 36 36 ASP CA C 13 55.558 0.20 0.736 1 . . . . A 36 ASP CA . 30599 1 370 . 1 . 1 36 36 ASP CB C 13 40.658 0.20 1.000 1 . . . . A 36 ASP CB . 30599 1 371 . 1 . 1 36 36 ASP N N 15 120.679 0.20 1.000 1 . . . . A 36 ASP N . 30599 1 372 . 1 . 1 37 37 LYS H H 1 8.196 0.02 1.000 1 . . . . A 37 LYS H . 30599 1 373 . 1 . 1 37 37 LYS HA H 1 4.196 0.02 0.879 1 . . . . A 37 LYS HA . 30599 1 374 . 1 . 1 37 37 LYS HB2 H 1 1.805 0.02 0.246 2 . . . . A 37 LYS HB2 . 30599 1 375 . 1 . 1 37 37 LYS HB3 H 1 1.805 0.02 0.144 2 . . . . A 37 LYS HB3 . 30599 1 376 . 1 . 1 37 37 LYS HG2 H 1 1.420 0.02 0.501 2 . . . . A 37 LYS HG2 . 30599 1 377 . 1 . 1 37 37 LYS HG3 H 1 1.420 0.02 0.465 2 . . . . A 37 LYS HG3 . 30599 1 378 . 1 . 1 37 37 LYS C C 13 177.540 0.20 1.000 1 . . . . A 37 LYS C . 30599 1 379 . 1 . 1 37 37 LYS CA C 13 57.768 0.20 1.000 1 . . . . A 37 LYS CA . 30599 1 380 . 1 . 1 37 37 LYS CB C 13 32.678 0.20 1.000 1 . . . . A 37 LYS CB . 30599 1 381 . 1 . 1 37 37 LYS CG C 13 24.988 0.20 1.000 1 . . . . A 37 LYS CG . 30599 1 382 . 1 . 1 37 37 LYS N N 15 122.121 0.20 1.000 1 . . . . A 37 LYS N . 30599 1 383 . 1 . 1 38 38 LYS H H 1 8.192 0.02 1.000 1 . . . . A 38 LYS H . 30599 1 384 . 1 . 1 38 38 LYS HA H 1 4.179 0.02 0.699 1 . . . . A 38 LYS HA . 30599 1 385 . 1 . 1 38 38 LYS HB2 H 1 1.848 0.02 0.477 2 . . . . A 38 LYS HB2 . 30599 1 386 . 1 . 1 38 38 LYS HB3 H 1 1.848 0.02 0.478 2 . . . . A 38 LYS HB3 . 30599 1 387 . 1 . 1 38 38 LYS HG2 H 1 1.474 0.02 0.136 2 . . . . A 38 LYS HG2 . 30599 1 388 . 1 . 1 38 38 LYS HG3 H 1 1.474 0.02 0.057 2 . . . . A 38 LYS HG3 . 30599 1 389 . 1 . 1 38 38 LYS C C 13 178.240 0.20 1.000 1 . . . . A 38 LYS C . 30599 1 390 . 1 . 1 38 38 LYS CA C 13 57.718 0.20 0.765 1 . . . . A 38 LYS CA . 30599 1 391 . 1 . 1 38 38 LYS CB C 13 32.540 0.20 1.000 1 . . . . A 38 LYS CB . 30599 1 392 . 1 . 1 38 38 LYS CG C 13 25.230 0.20 1.000 1 . . . . A 38 LYS CG . 30599 1 393 . 1 . 1 38 38 LYS N N 15 121.053 0.20 1.000 1 . . . . A 38 LYS N . 30599 1 394 . 1 . 1 39 39 GLU H H 1 8.301 0.02 1.000 1 . . . . A 39 GLU H . 30599 1 395 . 1 . 1 39 39 GLU HA H 1 4.179 0.02 1.000 1 . . . . A 39 GLU HA . 30599 1 396 . 1 . 1 39 39 GLU HB2 H 1 2.006 0.02 0.482 2 . . . . A 39 GLU HB2 . 30599 1 397 . 1 . 1 39 39 GLU HB3 H 1 2.006 0.02 0.523 2 . . . . A 39 GLU HB3 . 30599 1 398 . 1 . 1 39 39 GLU HG2 H 1 2.234 0.02 0.478 2 . . . . A 39 GLU HG2 . 30599 1 399 . 1 . 1 39 39 GLU HG3 H 1 2.234 0.02 0.469 2 . . . . A 39 GLU HG3 . 30599 1 400 . 1 . 1 39 39 GLU C C 13 177.440 0.20 1.000 1 . . . . A 39 GLU C . 30599 1 401 . 1 . 1 39 39 GLU CA C 13 57.788 0.20 0.604 1 . . . . A 39 GLU CA . 30599 1 402 . 1 . 1 39 39 GLU CB C 13 29.848 0.20 1.000 1 . . . . A 39 GLU CB . 30599 1 403 . 1 . 1 39 39 GLU CG C 13 36.438 0.20 1.000 1 . . . . A 39 GLU CG . 30599 1 404 . 1 . 1 39 39 GLU N N 15 121.084 0.20 1.000 1 . . . . A 39 GLU N . 30599 1 405 . 1 . 1 40 40 ALA H H 1 8.149 0.02 1.000 1 . . . . A 40 ALA H . 30599 1 406 . 1 . 1 40 40 ALA HA H 1 4.159 0.02 1.000 1 . . . . A 40 ALA HA . 30599 1 407 . 1 . 1 40 40 ALA HB1 H 1 1.450 0.02 0.843 1 . . . . A 40 ALA HB1 . 30599 1 408 . 1 . 1 40 40 ALA HB2 H 1 1.450 0.02 0.843 1 . . . . A 40 ALA HB2 . 30599 1 409 . 1 . 1 40 40 ALA HB3 H 1 1.450 0.02 0.843 1 . . . . A 40 ALA HB3 . 30599 1 410 . 1 . 1 40 40 ALA C C 13 179.440 0.20 1.000 1 . . . . A 40 ALA C . 30599 1 411 . 1 . 1 40 40 ALA CA C 13 53.878 0.20 1.000 1 . . . . A 40 ALA CA . 30599 1 412 . 1 . 1 40 40 ALA CB C 13 18.648 0.20 1.000 1 . . . . A 40 ALA CB . 30599 1 413 . 1 . 1 40 40 ALA N N 15 123.160 0.20 1.000 1 . . . . A 40 ALA N . 30599 1 414 . 1 . 1 41 41 GLU H H 1 8.164 0.02 1.000 1 . . . . A 41 GLU H . 30599 1 415 . 1 . 1 41 41 GLU HA H 1 4.143 0.02 0.779 1 . . . . A 41 GLU HA . 30599 1 416 . 1 . 1 41 41 GLU HB2 H 1 2.055 0.02 0.214 2 . . . . A 41 GLU HB2 . 30599 1 417 . 1 . 1 41 41 GLU HB3 H 1 2.055 0.02 0.404 2 . . . . A 41 GLU HB3 . 30599 1 418 . 1 . 1 41 41 GLU HG2 H 1 2.249 0.02 0.283 2 . . . . A 41 GLU HG2 . 30599 1 419 . 1 . 1 41 41 GLU HG3 H 1 2.398 0.02 0.464 2 . . . . A 41 GLU HG3 . 30599 1 420 . 1 . 1 41 41 GLU C C 13 177.640 0.20 1.000 1 . . . . A 41 GLU C . 30599 1 421 . 1 . 1 41 41 GLU CA C 13 57.828 0.20 1.000 1 . . . . A 41 GLU CA . 30599 1 422 . 1 . 1 41 41 GLU CB C 13 30.128 0.20 1.000 1 . . . . A 41 GLU CB . 30599 1 423 . 1 . 1 41 41 GLU CG C 13 36.668 0.20 1.000 1 . . . . A 41 GLU CG . 30599 1 424 . 1 . 1 41 41 GLU N N 15 119.380 0.20 1.000 1 . . . . A 41 GLU N . 30599 1 425 . 1 . 1 42 42 ARG H H 1 8.094 0.02 1.000 1 . . . . A 42 ARG H . 30599 1 426 . 1 . 1 42 42 ARG HA H 1 4.178 0.02 1.000 1 . . . . A 42 ARG HA . 30599 1 427 . 1 . 1 42 42 ARG HB2 H 1 1.883 0.02 0.471 2 . . . . A 42 ARG HB2 . 30599 1 428 . 1 . 1 42 42 ARG HB3 H 1 1.883 0.02 0.488 2 . . . . A 42 ARG HB3 . 30599 1 429 . 1 . 1 42 42 ARG HG2 H 1 1.630 0.02 0.485 2 . . . . A 42 ARG HG2 . 30599 1 430 . 1 . 1 42 42 ARG HG3 H 1 1.630 0.02 0.500 2 . . . . A 42 ARG HG3 . 30599 1 431 . 1 . 1 42 42 ARG HD2 H 1 3.202 0.02 0.485 2 . . . . A 42 ARG HD2 . 30599 1 432 . 1 . 1 42 42 ARG HD3 H 1 3.202 0.02 0.500 2 . . . . A 42 ARG HD3 . 30599 1 433 . 1 . 1 42 42 ARG C C 13 177.540 0.20 1.000 1 . . . . A 42 ARG C . 30599 1 434 . 1 . 1 42 42 ARG CA C 13 57.668 0.20 1.000 1 . . . . A 42 ARG CA . 30599 1 435 . 1 . 1 42 42 ARG CB C 13 30.288 0.20 1.000 1 . . . . A 42 ARG CB . 30599 1 436 . 1 . 1 42 42 ARG CG C 13 27.248 0.20 0.753 1 . . . . A 42 ARG CG . 30599 1 437 . 1 . 1 42 42 ARG CD C 13 43.318 0.20 1.000 1 . . . . A 42 ARG CD . 30599 1 438 . 1 . 1 42 42 ARG N N 15 121.310 0.20 1.000 1 . . . . A 42 ARG N . 30599 1 439 . 1 . 1 43 43 LYS H H 1 8.239 0.02 1.000 1 . . . . A 43 LYS H . 30599 1 440 . 1 . 1 43 43 LYS HA H 1 4.186 0.02 1.000 1 . . . . A 43 LYS HA . 30599 1 441 . 1 . 1 43 43 LYS HB2 H 1 1.836 0.02 0.479 2 . . . . A 43 LYS HB2 . 30599 1 442 . 1 . 1 43 43 LYS HB3 H 1 1.836 0.02 0.472 2 . . . . A 43 LYS HB3 . 30599 1 443 . 1 . 1 43 43 LYS HG2 H 1 1.470 0.02 0.189 2 . . . . A 43 LYS HG2 . 30599 1 444 . 1 . 1 43 43 LYS HG3 H 1 1.470 0.02 0.103 2 . . . . A 43 LYS HG3 . 30599 1 445 . 1 . 1 43 43 LYS C C 13 177.140 0.20 1.000 1 . . . . A 43 LYS C . 30599 1 446 . 1 . 1 43 43 LYS CA C 13 57.478 0.20 1.000 1 . . . . A 43 LYS CA . 30599 1 447 . 1 . 1 43 43 LYS CB C 13 32.608 0.20 1.000 1 . . . . A 43 LYS CB . 30599 1 448 . 1 . 1 43 43 LYS CG C 13 25.068 0.20 1.000 1 . . . . A 43 LYS CG . 30599 1 449 . 1 . 1 43 43 LYS N N 15 121.411 0.20 1.000 1 . . . . A 43 LYS N . 30599 1 450 . 1 . 1 44 44 ALA H H 1 8.058 0.02 1.000 1 . . . . A 44 ALA H . 30599 1 451 . 1 . 1 44 44 ALA HA H 1 4.260 0.02 1.000 1 . . . . A 44 ALA HA . 30599 1 452 . 1 . 1 44 44 ALA HB1 H 1 1.440 0.02 1.000 1 . . . . A 44 ALA HB1 . 30599 1 453 . 1 . 1 44 44 ALA HB2 H 1 1.440 0.02 1.000 1 . . . . A 44 ALA HB2 . 30599 1 454 . 1 . 1 44 44 ALA HB3 H 1 1.440 0.02 1.000 1 . . . . A 44 ALA HB3 . 30599 1 455 . 1 . 1 44 44 ALA C C 13 178.640 0.20 1.000 1 . . . . A 44 ALA C . 30599 1 456 . 1 . 1 44 44 ALA CA C 13 53.378 0.20 1.000 1 . . . . A 44 ALA CA . 30599 1 457 . 1 . 1 44 44 ALA CB C 13 18.738 0.20 1.000 1 . . . . A 44 ALA CB . 30599 1 458 . 1 . 1 44 44 ALA N N 15 122.902 0.20 1.000 1 . . . . A 44 ALA N . 30599 1 459 . 1 . 1 45 45 LEU H H 1 7.910 0.02 1.000 1 . . . . A 45 LEU H . 30599 1 460 . 1 . 1 45 45 LEU HA H 1 4.255 0.02 1.000 1 . . . . A 45 LEU HA . 30599 1 461 . 1 . 1 45 45 LEU HB2 H 1 1.720 0.02 0.407 2 . . . . A 45 LEU HB2 . 30599 1 462 . 1 . 1 45 45 LEU HB3 H 1 1.720 0.02 0.542 2 . . . . A 45 LEU HB3 . 30599 1 463 . 1 . 1 45 45 LEU HG H 1 1.626 0.02 0.493 1 . . . . A 45 LEU HG . 30599 1 464 . 1 . 1 45 45 LEU HD11 H 1 0.916 0.02 0.607 2 . . . . A 45 LEU HD11 . 30599 1 465 . 1 . 1 45 45 LEU HD12 H 1 0.916 0.02 0.607 2 . . . . A 45 LEU HD12 . 30599 1 466 . 1 . 1 45 45 LEU HD13 H 1 0.916 0.02 0.607 2 . . . . A 45 LEU HD13 . 30599 1 467 . 1 . 1 45 45 LEU HD21 H 1 0.916 0.02 0.084 2 . . . . A 45 LEU HD21 . 30599 1 468 . 1 . 1 45 45 LEU HD22 H 1 0.916 0.02 0.084 2 . . . . A 45 LEU HD22 . 30599 1 469 . 1 . 1 45 45 LEU HD23 H 1 0.916 0.02 0.084 2 . . . . A 45 LEU HD23 . 30599 1 470 . 1 . 1 45 45 LEU C C 13 178.140 0.20 1.000 1 . . . . A 45 LEU C . 30599 1 471 . 1 . 1 45 45 LEU CA C 13 55.998 0.20 1.000 1 . . . . A 45 LEU CA . 30599 1 472 . 1 . 1 45 45 LEU CB C 13 42.368 0.20 1.000 1 . . . . A 45 LEU CB . 30599 1 473 . 1 . 1 45 45 LEU CG C 13 27.238 0.20 0.895 1 . . . . A 45 LEU CG . 30599 1 474 . 1 . 1 45 45 LEU CD1 C 13 25.018 0.20 0.669 2 . . . . A 45 LEU CD1 . 30599 1 475 . 1 . 1 45 45 LEU CD2 C 13 23.738 0.20 0.071 2 . . . . A 45 LEU CD2 . 30599 1 476 . 1 . 1 45 45 LEU N N 15 119.708 0.20 1.000 1 . . . . A 45 LEU N . 30599 1 477 . 1 . 1 46 46 GLU H H 1 8.169 0.02 1.000 1 . . . . A 46 GLU H . 30599 1 478 . 1 . 1 46 46 GLU HA H 1 4.185 0.02 1.000 1 . . . . A 46 GLU HA . 30599 1 479 . 1 . 1 46 46 GLU HB2 H 1 2.033 0.02 0.410 2 . . . . A 46 GLU HB2 . 30599 1 480 . 1 . 1 46 46 GLU HB3 H 1 2.033 0.02 0.593 2 . . . . A 46 GLU HB3 . 30599 1 481 . 1 . 1 46 46 GLU HG2 H 1 2.296 0.02 0.430 2 . . . . A 46 GLU HG2 . 30599 1 482 . 1 . 1 46 46 GLU HG3 H 1 2.296 0.02 0.217 2 . . . . A 46 GLU HG3 . 30599 1 483 . 1 . 1 46 46 GLU C C 13 176.940 0.20 1.000 1 . . . . A 46 GLU C . 30599 1 484 . 1 . 1 46 46 GLU CA C 13 57.358 0.20 1.000 1 . . . . A 46 GLU CA . 30599 1 485 . 1 . 1 46 46 GLU CB C 13 30.328 0.20 1.000 1 . . . . A 46 GLU CB . 30599 1 486 . 1 . 1 46 46 GLU CG C 13 36.518 0.20 0.846 1 . . . . A 46 GLU CG . 30599 1 487 . 1 . 1 46 46 GLU N N 15 120.148 0.20 1.000 1 . . . . A 46 GLU N . 30599 1 488 . 1 . 1 47 47 ASP H H 1 8.248 0.02 1.000 1 . . . . A 47 ASP H . 30599 1 489 . 1 . 1 47 47 ASP HA H 1 4.575 0.02 1.000 1 . . . . A 47 ASP HA . 30599 1 490 . 1 . 1 47 47 ASP HB2 H 1 2.664 0.02 0.877 2 . . . . A 47 ASP HB2 . 30599 1 491 . 1 . 1 47 47 ASP HB3 H 1 2.664 0.02 0.486 2 . . . . A 47 ASP HB3 . 30599 1 492 . 1 . 1 47 47 ASP CA C 13 54.818 0.20 0.356 1 . . . . A 47 ASP CA . 30599 1 493 . 1 . 1 47 47 ASP CB C 13 41.008 0.20 1.000 1 . . . . A 47 ASP CB . 30599 1 494 . 1 . 1 47 47 ASP N N 15 120.610 0.20 1.000 1 . . . . A 47 ASP N . 30599 1 495 . 1 . 1 48 48 LYS H H 1 8.020 0.02 1.000 1 . . . . A 48 LYS H . 30599 1 496 . 1 . 1 48 48 LYS HA H 1 4.294 0.02 1.000 1 . . . . A 48 LYS HA . 30599 1 497 . 1 . 1 48 48 LYS HB2 H 1 1.818 0.02 0.469 2 . . . . A 48 LYS HB2 . 30599 1 498 . 1 . 1 48 48 LYS HB3 H 1 1.818 0.02 0.476 2 . . . . A 48 LYS HB3 . 30599 1 499 . 1 . 1 48 48 LYS HG2 H 1 1.444 0.02 0.375 2 . . . . A 48 LYS HG2 . 30599 1 500 . 1 . 1 48 48 LYS HG3 H 1 1.444 0.02 0.067 2 . . . . A 48 LYS HG3 . 30599 1 501 . 1 . 1 48 48 LYS C C 13 176.640 0.20 1.000 1 . . . . A 48 LYS C . 30599 1 502 . 1 . 1 48 48 LYS CA C 13 56.438 0.20 1.000 1 . . . . A 48 LYS CA . 30599 1 503 . 1 . 1 48 48 LYS CB C 13 32.958 0.20 1.000 1 . . . . A 48 LYS CB . 30599 1 504 . 1 . 1 48 48 LYS CG C 13 26.888 0.20 1.000 1 . . . . A 48 LYS CG . 30599 1 505 . 1 . 1 48 48 LYS N N 15 120.860 0.20 1.000 1 . . . . A 48 LYS N . 30599 1 506 . 1 . 1 49 49 LEU HA H 1 4.304 0.02 1.000 1 . . . . A 49 LEU HA . 30599 1 507 . 1 . 1 49 49 LEU HB2 H 1 1.663 0.02 0.531 2 . . . . A 49 LEU HB2 . 30599 1 508 . 1 . 1 49 49 LEU HB3 H 1 1.663 0.02 0.412 2 . . . . A 49 LEU HB3 . 30599 1 509 . 1 . 1 49 49 LEU HG H 1 1.572 0.02 0.470 1 . . . . A 49 LEU HG . 30599 1 510 . 1 . 1 49 49 LEU HD11 H 1 0.899 0.02 0.599 2 . . . . A 49 LEU HD11 . 30599 1 511 . 1 . 1 49 49 LEU HD12 H 1 0.899 0.02 0.599 2 . . . . A 49 LEU HD12 . 30599 1 512 . 1 . 1 49 49 LEU HD13 H 1 0.899 0.02 0.599 2 . . . . A 49 LEU HD13 . 30599 1 513 . 1 . 1 49 49 LEU HD21 H 1 0.899 0.02 0.084 2 . . . . A 49 LEU HD21 . 30599 1 514 . 1 . 1 49 49 LEU HD22 H 1 0.899 0.02 0.084 2 . . . . A 49 LEU HD22 . 30599 1 515 . 1 . 1 49 49 LEU HD23 H 1 0.899 0.02 0.084 2 . . . . A 49 LEU HD23 . 30599 1 516 . 1 . 1 49 49 LEU C C 13 177.140 0.20 1.000 1 . . . . A 49 LEU C . 30599 1 517 . 1 . 1 49 49 LEU CA C 13 55.268 0.20 1.000 1 . . . . A 49 LEU CA . 30599 1 518 . 1 . 1 49 49 LEU CB C 13 42.188 0.20 1.000 1 . . . . A 49 LEU CB . 30599 1 519 . 1 . 1 49 49 LEU CG C 13 27.018 0.20 0.876 1 . . . . A 49 LEU CG . 30599 1 520 . 1 . 1 49 49 LEU CD1 C 13 25.038 0.20 0.827 2 . . . . A 49 LEU CD1 . 30599 1 521 . 1 . 1 49 49 LEU CD2 C 13 23.498 0.20 0.086 2 . . . . A 49 LEU CD2 . 30599 1 522 . 1 . 1 50 50 ALA H H 1 8.052 0.02 1.000 1 . . . . A 50 ALA H . 30599 1 523 . 1 . 1 50 50 ALA HA H 1 4.276 0.02 1.000 1 . . . . A 50 ALA HA . 30599 1 524 . 1 . 1 50 50 ALA HB1 H 1 1.321 0.02 1.000 1 . . . . A 50 ALA HB1 . 30599 1 525 . 1 . 1 50 50 ALA HB2 H 1 1.321 0.02 1.000 1 . . . . A 50 ALA HB2 . 30599 1 526 . 1 . 1 50 50 ALA HB3 H 1 1.321 0.02 1.000 1 . . . . A 50 ALA HB3 . 30599 1 527 . 1 . 1 50 50 ALA C C 13 176.940 0.20 1.000 1 . . . . A 50 ALA C . 30599 1 528 . 1 . 1 50 50 ALA CA C 13 52.318 0.20 1.000 1 . . . . A 50 ALA CA . 30599 1 529 . 1 . 1 50 50 ALA CB C 13 19.748 0.20 1.000 1 . . . . A 50 ALA CB . 30599 1 530 . 1 . 1 50 50 ALA N N 15 123.900 0.20 1.000 1 . . . . A 50 ALA N . 30599 1 531 . 1 . 1 51 51 ASP H H 1 8.106 0.02 1.000 1 . . . . A 51 ASP H . 30599 1 532 . 1 . 1 51 51 ASP HA H 1 4.557 0.02 1.000 1 . . . . A 51 ASP HA . 30599 1 533 . 1 . 1 51 51 ASP HB2 H 1 2.514 0.02 1.000 2 . . . . A 51 ASP HB2 . 30599 1 534 . 1 . 1 51 51 ASP HB3 H 1 2.655 0.02 1.000 2 . . . . A 51 ASP HB3 . 30599 1 535 . 1 . 1 51 51 ASP C C 13 174.740 0.20 1.000 1 . . . . A 51 ASP C . 30599 1 536 . 1 . 1 51 51 ASP CA C 13 54.328 0.20 0.515 1 . . . . A 51 ASP CA . 30599 1 537 . 1 . 1 51 51 ASP CB C 13 41.188 0.20 1.000 1 . . . . A 51 ASP CB . 30599 1 538 . 1 . 1 51 51 ASP N N 15 119.614 0.20 1.000 1 . . . . A 51 ASP N . 30599 1 539 . 1 . 1 52 52 TYR H H 1 7.498 0.02 1.000 1 . . . . A 52 TYR H . 30599 1 540 . 1 . 1 52 52 TYR C C 13 180.340 0.20 1.000 1 . . . . A 52 TYR C . 30599 1 541 . 1 . 1 52 52 TYR CA C 13 59.048 0.20 1.000 1 . . . . A 52 TYR CA . 30599 1 542 . 1 . 1 52 52 TYR CB C 13 39.388 0.20 1.000 1 . . . . A 52 TYR CB . 30599 1 543 . 1 . 1 52 52 TYR N N 15 124.324 0.20 1.000 1 . . . . A 52 TYR N . 30599 1 stop_ save_