################################### # 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 30249 _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 $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 '3D 1H-15N NOESY' . . . 30249 1 2 '3D 1H-13C NOESY aliphatic' . . . 30249 1 3 '3D CBCA(CO)NH' . . . 30249 1 4 '3D HBHA(CO)NH' . . . 30249 1 5 '3D HNCO' . . . 30249 1 6 '3D HNCA' . . . 30249 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 22 22 ASP H H 1 8.344 0.04 . 1 . . . A 22 ASP H . 30249 1 2 . 1 1 22 22 ASP HA H 1 4.441 0.04 . 1 . . . A 22 ASP HA . 30249 1 3 . 1 1 22 22 ASP HB2 H 1 2.697 0.04 . 2 . . . A 22 ASP HB2 . 30249 1 4 . 1 1 22 22 ASP HB3 H 1 2.613 0.04 . 2 . . . A 22 ASP HB3 . 30249 1 5 . 1 1 22 22 ASP C C 13 177.241 0.40 . 1 . . . A 22 ASP C . 30249 1 6 . 1 1 22 22 ASP CA C 13 54.457 0.40 . 1 . . . A 22 ASP CA . 30249 1 7 . 1 1 22 22 ASP CB C 13 40.709 0.40 . 1 . . . A 22 ASP CB . 30249 1 8 . 1 1 22 22 ASP N N 15 122.931 0.40 . 1 . . . A 22 ASP N . 30249 1 9 . 1 1 23 23 VAL H H 1 8.194 0.04 . 1 . . . A 23 VAL H . 30249 1 10 . 1 1 23 23 VAL HA H 1 3.500 0.04 . 1 . . . A 23 VAL HA . 30249 1 11 . 1 1 23 23 VAL HB H 1 1.930 0.04 . 1 . . . A 23 VAL HB . 30249 1 12 . 1 1 23 23 VAL HG11 H 1 0.877 0.04 . 2 . . . A 23 VAL HG11 . 30249 1 13 . 1 1 23 23 VAL HG12 H 1 0.877 0.04 . 2 . . . A 23 VAL HG12 . 30249 1 14 . 1 1 23 23 VAL HG13 H 1 0.877 0.04 . 2 . . . A 23 VAL HG13 . 30249 1 15 . 1 1 23 23 VAL HG21 H 1 0.768 0.04 . 2 . . . A 23 VAL HG21 . 30249 1 16 . 1 1 23 23 VAL HG22 H 1 0.768 0.04 . 2 . . . A 23 VAL HG22 . 30249 1 17 . 1 1 23 23 VAL HG23 H 1 0.768 0.04 . 2 . . . A 23 VAL HG23 . 30249 1 18 . 1 1 23 23 VAL C C 13 177.255 0.40 . 1 . . . A 23 VAL C . 30249 1 19 . 1 1 23 23 VAL CA C 13 66.562 0.40 . 1 . . . A 23 VAL CA . 30249 1 20 . 1 1 23 23 VAL CB C 13 31.561 0.40 . 1 . . . A 23 VAL CB . 30249 1 21 . 1 1 23 23 VAL CG1 C 13 22.608 0.40 . 2 . . . A 23 VAL CG1 . 30249 1 22 . 1 1 23 23 VAL CG2 C 13 21.845 0.40 . 2 . . . A 23 VAL CG2 . 30249 1 23 . 1 1 23 23 VAL N N 15 123.286 0.40 . 1 . . . A 23 VAL N . 30249 1 24 . 1 1 24 24 GLU H H 1 8.305 0.04 . 1 . . . A 24 GLU H . 30249 1 25 . 1 1 24 24 GLU HA H 1 3.717 0.04 . 1 . . . A 24 GLU HA . 30249 1 26 . 1 1 24 24 GLU HB2 H 1 1.928 0.04 . 2 . . . A 24 GLU HB2 . 30249 1 27 . 1 1 24 24 GLU HB3 H 1 1.884 0.04 . 2 . . . A 24 GLU HB3 . 30249 1 28 . 1 1 24 24 GLU HG2 H 1 2.191 0.04 . 2 . . . A 24 GLU HG2 . 30249 1 29 . 1 1 24 24 GLU HG3 H 1 2.073 0.04 . 2 . . . A 24 GLU HG3 . 30249 1 30 . 1 1 24 24 GLU C C 13 179.186 0.40 . 1 . . . A 24 GLU C . 30249 1 31 . 1 1 24 24 GLU CA C 13 60.207 0.40 . 1 . . . A 24 GLU CA . 30249 1 32 . 1 1 24 24 GLU CB C 13 29.045 0.40 . 1 . . . A 24 GLU CB . 30249 1 33 . 1 1 24 24 GLU CG C 13 36.786 0.40 . 1 . . . A 24 GLU CG . 30249 1 34 . 1 1 24 24 GLU N N 15 119.254 0.40 . 1 . . . A 24 GLU N . 30249 1 35 . 1 1 25 25 GLU H H 1 7.654 0.04 . 1 . . . A 25 GLU H . 30249 1 36 . 1 1 25 25 GLU HA H 1 3.997 0.04 . 1 . . . A 25 GLU HA . 30249 1 37 . 1 1 25 25 GLU HB2 H 1 1.970 0.04 . 2 . . . A 25 GLU HB2 . 30249 1 38 . 1 1 25 25 GLU HB3 H 1 1.897 0.04 . 2 . . . A 25 GLU HB3 . 30249 1 39 . 1 1 25 25 GLU HG2 H 1 2.217 0.04 . 2 . . . A 25 GLU HG2 . 30249 1 40 . 1 1 25 25 GLU HG3 H 1 2.139 0.04 . 2 . . . A 25 GLU HG3 . 30249 1 41 . 1 1 25 25 GLU C C 13 178.296 0.40 . 1 . . . A 25 GLU C . 30249 1 42 . 1 1 25 25 GLU CA C 13 58.455 0.40 . 1 . . . A 25 GLU CA . 30249 1 43 . 1 1 25 25 GLU CB C 13 29.020 0.40 . 1 . . . A 25 GLU CB . 30249 1 44 . 1 1 25 25 GLU CG C 13 35.424 0.40 . 1 . . . A 25 GLU CG . 30249 1 45 . 1 1 25 25 GLU N N 15 120.039 0.40 . 1 . . . A 25 GLU N . 30249 1 46 . 1 1 26 26 GLN H H 1 7.864 0.04 . 1 . . . A 26 GLN H . 30249 1 47 . 1 1 26 26 GLN HA H 1 3.877 0.04 . 1 . . . A 26 GLN HA . 30249 1 48 . 1 1 26 26 GLN HB2 H 1 2.016 0.04 . 2 . . . A 26 GLN HB2 . 30249 1 49 . 1 1 26 26 GLN HB3 H 1 2.159 0.04 . 2 . . . A 26 GLN HB3 . 30249 1 50 . 1 1 26 26 GLN HG2 H 1 2.343 0.04 . 2 . . . A 26 GLN HG2 . 30249 1 51 . 1 1 26 26 GLN HG3 H 1 2.343 0.04 . 2 . . . A 26 GLN HG3 . 30249 1 52 . 1 1 26 26 GLN HE21 H 1 6.752 0.04 . 2 . . . A 26 GLN HE21 . 30249 1 53 . 1 1 26 26 GLN HE22 H 1 7.028 0.04 . 2 . . . A 26 GLN HE22 . 30249 1 54 . 1 1 26 26 GLN C C 13 178.487 0.40 . 1 . . . A 26 GLN C . 30249 1 55 . 1 1 26 26 GLN CA C 13 58.950 0.40 . 1 . . . A 26 GLN CA . 30249 1 56 . 1 1 26 26 GLN CB C 13 28.494 0.40 . 1 . . . A 26 GLN CB . 30249 1 57 . 1 1 26 26 GLN CG C 13 34.062 0.40 . 1 . . . A 26 GLN CG . 30249 1 58 . 1 1 26 26 GLN N N 15 119.380 0.40 . 1 . . . A 26 GLN N . 30249 1 59 . 1 1 26 26 GLN NE2 N 15 111.276 0.40 . 1 . . . A 26 GLN NE2 . 30249 1 60 . 1 1 27 27 ILE H H 1 8.229 0.04 . 1 . . . A 27 ILE H . 30249 1 61 . 1 1 27 27 ILE HA H 1 3.127 0.04 . 1 . . . A 27 ILE HA . 30249 1 62 . 1 1 27 27 ILE HB H 1 1.643 0.04 . 1 . . . A 27 ILE HB . 30249 1 63 . 1 1 27 27 ILE HG21 H 1 0.605 0.04 . 1 . . . A 27 ILE HG21 . 30249 1 64 . 1 1 27 27 ILE HG22 H 1 0.605 0.04 . 1 . . . A 27 ILE HG22 . 30249 1 65 . 1 1 27 27 ILE HG23 H 1 0.605 0.04 . 1 . . . A 27 ILE HG23 . 30249 1 66 . 1 1 27 27 ILE HD11 H 1 0.531 0.04 . 1 . . . A 27 ILE HD11 . 30249 1 67 . 1 1 27 27 ILE HD12 H 1 0.531 0.04 . 1 . . . A 27 ILE HD12 . 30249 1 68 . 1 1 27 27 ILE HD13 H 1 0.531 0.04 . 1 . . . A 27 ILE HD13 . 30249 1 69 . 1 1 27 27 ILE C C 13 176.995 0.40 . 1 . . . A 27 ILE C . 30249 1 70 . 1 1 27 27 ILE CA C 13 66.397 0.40 . 1 . . . A 27 ILE CA . 30249 1 71 . 1 1 27 27 ILE CB C 13 38.053 0.40 . 1 . . . A 27 ILE CB . 30249 1 72 . 1 1 27 27 ILE CG2 C 13 17.023 0.40 . 1 . . . A 27 ILE CG2 . 30249 1 73 . 1 1 27 27 ILE CD1 C 13 14.436 0.40 . 1 . . . A 27 ILE CD1 . 30249 1 74 . 1 1 27 27 ILE N N 15 118.745 0.40 . 1 . . . A 27 ILE N . 30249 1 75 . 1 1 28 28 ARG H H 1 7.701 0.04 . 1 . . . A 28 ARG H . 30249 1 76 . 1 1 28 28 ARG HA H 1 3.887 0.04 . 1 . . . A 28 ARG HA . 30249 1 77 . 1 1 28 28 ARG HB2 H 1 1.773 0.04 . 2 . . . A 28 ARG HB2 . 30249 1 78 . 1 1 28 28 ARG HB3 H 1 1.773 0.04 . 2 . . . A 28 ARG HB3 . 30249 1 79 . 1 1 28 28 ARG C C 13 179.610 0.40 . 1 . . . A 28 ARG C . 30249 1 80 . 1 1 28 28 ARG CA C 13 59.545 0.40 . 1 . . . A 28 ARG CA . 30249 1 81 . 1 1 28 28 ARG CB C 13 29.889 0.40 . 1 . . . A 28 ARG CB . 30249 1 82 . 1 1 28 28 ARG N N 15 118.791 0.40 . 1 . . . A 28 ARG N . 30249 1 83 . 1 1 29 29 ARG H H 1 7.958 0.04 . 1 . . . A 29 ARG H . 30249 1 84 . 1 1 29 29 ARG HA H 1 3.874 0.04 . 1 . . . A 29 ARG HA . 30249 1 85 . 1 1 29 29 ARG HB2 H 1 1.776 0.04 . 2 . . . A 29 ARG HB2 . 30249 1 86 . 1 1 29 29 ARG HB3 H 1 1.776 0.04 . 2 . . . A 29 ARG HB3 . 30249 1 87 . 1 1 29 29 ARG C C 13 179.432 0.40 . 1 . . . A 29 ARG C . 30249 1 88 . 1 1 29 29 ARG CA C 13 59.140 0.40 . 1 . . . A 29 ARG CA . 30249 1 89 . 1 1 29 29 ARG CB C 13 30.081 0.40 . 1 . . . A 29 ARG CB . 30249 1 90 . 1 1 29 29 ARG N N 15 118.485 0.40 . 1 . . . A 29 ARG N . 30249 1 91 . 1 1 30 30 LEU H H 1 7.822 0.04 . 1 . . . A 30 LEU H . 30249 1 92 . 1 1 30 30 LEU HA H 1 3.796 0.04 . 1 . . . A 30 LEU HA . 30249 1 93 . 1 1 30 30 LEU HB2 H 1 1.534 0.04 . 2 . . . A 30 LEU HB2 . 30249 1 94 . 1 1 30 30 LEU HB3 H 1 0.766 0.04 . 2 . . . A 30 LEU HB3 . 30249 1 95 . 1 1 30 30 LEU HG H 1 1.298 0.04 . 1 . . . A 30 LEU HG . 30249 1 96 . 1 1 30 30 LEU HD11 H 1 -0.110 0.04 . 2 . . . A 30 LEU HD11 . 30249 1 97 . 1 1 30 30 LEU HD12 H 1 -0.110 0.04 . 2 . . . A 30 LEU HD12 . 30249 1 98 . 1 1 30 30 LEU HD13 H 1 -0.110 0.04 . 2 . . . A 30 LEU HD13 . 30249 1 99 . 1 1 30 30 LEU HD21 H 1 0.238 0.04 . 2 . . . A 30 LEU HD21 . 30249 1 100 . 1 1 30 30 LEU HD22 H 1 0.238 0.04 . 2 . . . A 30 LEU HD22 . 30249 1 101 . 1 1 30 30 LEU HD23 H 1 0.238 0.04 . 2 . . . A 30 LEU HD23 . 30249 1 102 . 1 1 30 30 LEU C C 13 178.487 0.40 . 1 . . . A 30 LEU C . 30249 1 103 . 1 1 30 30 LEU CA C 13 57.551 0.40 . 1 . . . A 30 LEU CA . 30249 1 104 . 1 1 30 30 LEU CB C 13 41.721 0.40 . 1 . . . A 30 LEU CB . 30249 1 105 . 1 1 30 30 LEU CG C 13 26.725 0.40 . 1 . . . A 30 LEU CG . 30249 1 106 . 1 1 30 30 LEU CD1 C 13 25.454 0.40 . 2 . . . A 30 LEU CD1 . 30249 1 107 . 1 1 30 30 LEU CD2 C 13 22.485 0.40 . 2 . . . A 30 LEU CD2 . 30249 1 108 . 1 1 30 30 LEU N N 15 120.562 0.40 . 1 . . . A 30 LEU N . 30249 1 109 . 1 1 31 31 GLU H H 1 8.609 0.04 . 1 . . . A 31 GLU H . 30249 1 110 . 1 1 31 31 GLU HA H 1 3.652 0.04 . 1 . . . A 31 GLU HA . 30249 1 111 . 1 1 31 31 GLU HB2 H 1 2.019 0.04 . 2 . . . A 31 GLU HB2 . 30249 1 112 . 1 1 31 31 GLU HB3 H 1 1.681 0.04 . 2 . . . A 31 GLU HB3 . 30249 1 113 . 1 1 31 31 GLU HG2 H 1 2.336 0.04 . 2 . . . A 31 GLU HG2 . 30249 1 114 . 1 1 31 31 GLU HG3 H 1 1.901 0.04 . 2 . . . A 31 GLU HG3 . 30249 1 115 . 1 1 31 31 GLU CA C 13 59.654 0.40 . 1 . . . A 31 GLU CA . 30249 1 116 . 1 1 31 31 GLU CB C 13 29.363 0.40 . 1 . . . A 31 GLU CB . 30249 1 117 . 1 1 31 31 GLU CG C 13 37.712 0.40 . 1 . . . A 31 GLU CG . 30249 1 118 . 1 1 31 31 GLU N N 15 118.519 0.40 . 1 . . . A 31 GLU N . 30249 1 119 . 1 1 32 32 GLU H H 1 7.699 0.04 . 1 . . . A 32 GLU H . 30249 1 120 . 1 1 32 32 GLU HA H 1 3.852 0.04 . 1 . . . A 32 GLU HA . 30249 1 121 . 1 1 32 32 GLU HB2 H 1 1.975 0.04 . 2 . . . A 32 GLU HB2 . 30249 1 122 . 1 1 32 32 GLU HB3 H 1 1.975 0.04 . 2 . . . A 32 GLU HB3 . 30249 1 123 . 1 1 32 32 GLU HG2 H 1 2.168 0.04 . 2 . . . A 32 GLU HG2 . 30249 1 124 . 1 1 32 32 GLU HG3 H 1 2.168 0.04 . 2 . . . A 32 GLU HG3 . 30249 1 125 . 1 1 32 32 GLU C C 13 178.734 0.40 . 1 . . . A 32 GLU C . 30249 1 126 . 1 1 32 32 GLU CA C 13 59.167 0.40 . 1 . . . A 32 GLU CA . 30249 1 127 . 1 1 32 32 GLU CB C 13 29.341 0.40 . 1 . . . A 32 GLU CB . 30249 1 128 . 1 1 32 32 GLU CG C 13 36.023 0.40 . 1 . . . A 32 GLU CG . 30249 1 129 . 1 1 32 32 GLU N N 15 119.634 0.40 . 1 . . . A 32 GLU N . 30249 1 130 . 1 1 33 33 VAL H H 1 7.427 0.04 . 1 . . . A 33 VAL H . 30249 1 131 . 1 1 33 33 VAL HA H 1 3.602 0.04 . 1 . . . A 33 VAL HA . 30249 1 132 . 1 1 33 33 VAL HB H 1 2.163 0.04 . 1 . . . A 33 VAL HB . 30249 1 133 . 1 1 33 33 VAL HG11 H 1 0.791 0.04 . 2 . . . A 33 VAL HG11 . 30249 1 134 . 1 1 33 33 VAL HG12 H 1 0.791 0.04 . 2 . . . A 33 VAL HG12 . 30249 1 135 . 1 1 33 33 VAL HG13 H 1 0.791 0.04 . 2 . . . A 33 VAL HG13 . 30249 1 136 . 1 1 33 33 VAL HG21 H 1 0.927 0.04 . 2 . . . A 33 VAL HG21 . 30249 1 137 . 1 1 33 33 VAL HG22 H 1 0.927 0.04 . 2 . . . A 33 VAL HG22 . 30249 1 138 . 1 1 33 33 VAL HG23 H 1 0.927 0.04 . 2 . . . A 33 VAL HG23 . 30249 1 139 . 1 1 33 33 VAL C C 13 178.857 0.40 . 1 . . . A 33 VAL C . 30249 1 140 . 1 1 33 33 VAL CA C 13 65.849 0.40 . 1 . . . A 33 VAL CA . 30249 1 141 . 1 1 33 33 VAL CB C 13 30.793 0.40 . 1 . . . A 33 VAL CB . 30249 1 142 . 1 1 33 33 VAL CG1 C 13 22.158 0.40 . 2 . . . A 33 VAL CG1 . 30249 1 143 . 1 1 33 33 VAL CG2 C 13 21.804 0.40 . 2 . . . A 33 VAL CG2 . 30249 1 144 . 1 1 33 33 VAL N N 15 117.942 0.40 . 1 . . . A 33 VAL N . 30249 1 145 . 1 1 34 34 LEU H H 1 7.699 0.04 . 1 . . . A 34 LEU H . 30249 1 146 . 1 1 34 34 LEU HA H 1 3.970 0.04 . 1 . . . A 34 LEU HA . 30249 1 147 . 1 1 34 34 LEU HB2 H 1 1.613 0.04 . 2 . . . A 34 LEU HB2 . 30249 1 148 . 1 1 34 34 LEU HB3 H 1 1.466 0.04 . 2 . . . A 34 LEU HB3 . 30249 1 149 . 1 1 34 34 LEU HD11 H 1 0.658 0.04 . 2 . . . A 34 LEU HD11 . 30249 1 150 . 1 1 34 34 LEU HD12 H 1 0.658 0.04 . 2 . . . A 34 LEU HD12 . 30249 1 151 . 1 1 34 34 LEU HD13 H 1 0.658 0.04 . 2 . . . A 34 LEU HD13 . 30249 1 152 . 1 1 34 34 LEU HD21 H 1 0.696 0.04 . 2 . . . A 34 LEU HD21 . 30249 1 153 . 1 1 34 34 LEU HD22 H 1 0.696 0.04 . 2 . . . A 34 LEU HD22 . 30249 1 154 . 1 1 34 34 LEU HD23 H 1 0.696 0.04 . 2 . . . A 34 LEU HD23 . 30249 1 155 . 1 1 34 34 LEU C C 13 180.131 0.40 . 1 . . . A 34 LEU C . 30249 1 156 . 1 1 34 34 LEU CA C 13 57.414 0.40 . 1 . . . A 34 LEU CA . 30249 1 157 . 1 1 34 34 LEU CB C 13 41.818 0.40 . 1 . . . A 34 LEU CB . 30249 1 158 . 1 1 34 34 LEU CD1 C 13 25.672 0.40 . 2 . . . A 34 LEU CD1 . 30249 1 159 . 1 1 34 34 LEU CD2 C 13 24.757 0.40 . 2 . . . A 34 LEU CD2 . 30249 1 160 . 1 1 34 34 LEU N N 15 120.664 0.40 . 1 . . . A 34 LEU N . 30249 1 161 . 1 1 35 35 LYS H H 1 7.524 0.04 . 1 . . . A 35 LYS H . 30249 1 162 . 1 1 35 35 LYS HA H 1 3.880 0.04 . 1 . . . A 35 LYS HA . 30249 1 163 . 1 1 35 35 LYS HB2 H 1 1.771 0.04 . 2 . . . A 35 LYS HB2 . 30249 1 164 . 1 1 35 35 LYS HB3 H 1 1.771 0.04 . 2 . . . A 35 LYS HB3 . 30249 1 165 . 1 1 35 35 LYS HE2 H 1 2.758 0.04 . 2 . . . A 35 LYS HE2 . 30249 1 166 . 1 1 35 35 LYS HE3 H 1 2.758 0.04 . 2 . . . A 35 LYS HE3 . 30249 1 167 . 1 1 35 35 LYS C C 13 177.803 0.40 . 1 . . . A 35 LYS C . 30249 1 168 . 1 1 35 35 LYS CA C 13 58.755 0.40 . 1 . . . A 35 LYS CA . 30249 1 169 . 1 1 35 35 LYS CB C 13 32.491 0.40 . 1 . . . A 35 LYS CB . 30249 1 170 . 1 1 35 35 LYS CE C 13 41.962 0.40 . 1 . . . A 35 LYS CE . 30249 1 171 . 1 1 35 35 LYS N N 15 118.723 0.40 . 1 . . . A 35 LYS N . 30249 1 172 . 1 1 36 36 LYS H H 1 7.419 0.04 . 1 . . . A 36 LYS H . 30249 1 173 . 1 1 36 36 LYS HA H 1 4.102 0.04 . 1 . . . A 36 LYS HA . 30249 1 174 . 1 1 36 36 LYS HB2 H 1 1.811 0.04 . 2 . . . A 36 LYS HB2 . 30249 1 175 . 1 1 36 36 LYS HB3 H 1 1.565 0.04 . 2 . . . A 36 LYS HB3 . 30249 1 176 . 1 1 36 36 LYS HE2 H 1 2.765 0.04 . 2 . . . A 36 LYS HE2 . 30249 1 177 . 1 1 36 36 LYS HE3 H 1 2.765 0.04 . 2 . . . A 36 LYS HE3 . 30249 1 178 . 1 1 36 36 LYS C C 13 175.831 0.40 . 1 . . . A 36 LYS C . 30249 1 179 . 1 1 36 36 LYS CA C 13 56.208 0.40 . 1 . . . A 36 LYS CA . 30249 1 180 . 1 1 36 36 LYS CB C 13 32.875 0.40 . 1 . . . A 36 LYS CB . 30249 1 181 . 1 1 36 36 LYS CE C 13 41.935 0.40 . 1 . . . A 36 LYS CE . 30249 1 182 . 1 1 36 36 LYS N N 15 116.161 0.40 . 1 . . . A 36 LYS N . 30249 1 183 . 1 1 37 37 ASN H H 1 7.908 0.04 . 1 . . . A 37 ASN H . 30249 1 184 . 1 1 37 37 ASN HA H 1 4.322 0.04 . 1 . . . A 37 ASN HA . 30249 1 185 . 1 1 37 37 ASN HB2 H 1 2.925 0.04 . 2 . . . A 37 ASN HB2 . 30249 1 186 . 1 1 37 37 ASN HB3 H 1 2.577 0.04 . 2 . . . A 37 ASN HB3 . 30249 1 187 . 1 1 37 37 ASN HD21 H 1 6.628 0.04 . 2 . . . A 37 ASN HD21 . 30249 1 188 . 1 1 37 37 ASN HD22 H 1 7.375 0.04 . 2 . . . A 37 ASN HD22 . 30249 1 189 . 1 1 37 37 ASN C C 13 174.023 0.40 . 1 . . . A 37 ASN C . 30249 1 190 . 1 1 37 37 ASN CA C 13 54.045 0.40 . 1 . . . A 37 ASN CA . 30249 1 191 . 1 1 37 37 ASN CB C 13 36.983 0.40 . 1 . . . A 37 ASN CB . 30249 1 192 . 1 1 37 37 ASN N N 15 116.646 0.40 . 1 . . . A 37 ASN N . 30249 1 193 . 1 1 37 37 ASN ND2 N 15 112.076 0.40 . 1 . . . A 37 ASN ND2 . 30249 1 194 . 1 1 38 38 GLN H H 1 7.386 0.04 . 1 . . . A 38 GLN H . 30249 1 195 . 1 1 38 38 GLN HA H 1 4.603 0.04 . 1 . . . A 38 GLN HA . 30249 1 196 . 1 1 38 38 GLN HB2 H 1 1.986 0.04 . 2 . . . A 38 GLN HB2 . 30249 1 197 . 1 1 38 38 GLN HB3 H 1 1.605 0.04 . 2 . . . A 38 GLN HB3 . 30249 1 198 . 1 1 38 38 GLN HG2 H 1 2.185 0.04 . 2 . . . A 38 GLN HG2 . 30249 1 199 . 1 1 38 38 GLN HG3 H 1 2.185 0.04 . 2 . . . A 38 GLN HG3 . 30249 1 200 . 1 1 38 38 GLN HE21 H 1 6.741 0.04 . 2 . . . A 38 GLN HE21 . 30249 1 201 . 1 1 38 38 GLN HE22 H 1 7.288 0.04 . 2 . . . A 38 GLN HE22 . 30249 1 202 . 1 1 38 38 GLN CA C 13 52.654 0.40 . 1 . . . A 38 GLN CA . 30249 1 203 . 1 1 38 38 GLN CB C 13 30.317 0.40 . 1 . . . A 38 GLN CB . 30249 1 204 . 1 1 38 38 GLN CG C 13 33.449 0.40 . 1 . . . A 38 GLN CG . 30249 1 205 . 1 1 38 38 GLN N N 15 117.147 0.40 . 1 . . . A 38 GLN N . 30249 1 206 . 1 1 38 38 GLN NE2 N 15 111.776 0.40 . 1 . . . A 38 GLN NE2 . 30249 1 207 . 1 1 39 39 PRO HA H 1 4.580 0.04 . 1 . . . A 39 PRO HA . 30249 1 208 . 1 1 39 39 PRO HB2 H 1 1.926 0.04 . 2 . . . A 39 PRO HB2 . 30249 1 209 . 1 1 39 39 PRO HB3 H 1 1.581 0.04 . 2 . . . A 39 PRO HB3 . 30249 1 210 . 1 1 39 39 PRO HG2 H 1 1.754 0.04 . 2 . . . A 39 PRO HG2 . 30249 1 211 . 1 1 39 39 PRO HG3 H 1 1.754 0.04 . 2 . . . A 39 PRO HG3 . 30249 1 212 . 1 1 39 39 PRO HD2 H 1 3.573 0.04 . 2 . . . A 39 PRO HD2 . 30249 1 213 . 1 1 39 39 PRO HD3 H 1 3.408 0.04 . 2 . . . A 39 PRO HD3 . 30249 1 214 . 1 1 39 39 PRO C C 13 175.803 0.40 . 1 . . . A 39 PRO C . 30249 1 215 . 1 1 39 39 PRO CA C 13 62.180 0.40 . 1 . . . A 39 PRO CA . 30249 1 216 . 1 1 39 39 PRO CB C 13 32.765 0.40 . 1 . . . A 39 PRO CB . 30249 1 217 . 1 1 39 39 PRO CG C 13 27.143 0.40 . 1 . . . A 39 PRO CG . 30249 1 218 . 1 1 39 39 PRO CD C 13 49.875 0.40 . 1 . . . A 39 PRO CD . 30249 1 219 . 1 1 40 40 VAL H H 1 8.269 0.04 . 1 . . . A 40 VAL H . 30249 1 220 . 1 1 40 40 VAL HA H 1 4.401 0.04 . 1 . . . A 40 VAL HA . 30249 1 221 . 1 1 40 40 VAL HB H 1 1.931 0.04 . 1 . . . A 40 VAL HB . 30249 1 222 . 1 1 40 40 VAL HG11 H 1 0.750 0.04 . 2 . . . A 40 VAL HG11 . 30249 1 223 . 1 1 40 40 VAL HG12 H 1 0.750 0.04 . 2 . . . A 40 VAL HG12 . 30249 1 224 . 1 1 40 40 VAL HG13 H 1 0.750 0.04 . 2 . . . A 40 VAL HG13 . 30249 1 225 . 1 1 40 40 VAL HG21 H 1 0.907 0.04 . 2 . . . A 40 VAL HG21 . 30249 1 226 . 1 1 40 40 VAL HG22 H 1 0.907 0.04 . 2 . . . A 40 VAL HG22 . 30249 1 227 . 1 1 40 40 VAL HG23 H 1 0.907 0.04 . 2 . . . A 40 VAL HG23 . 30249 1 228 . 1 1 40 40 VAL C C 13 173.078 0.40 . 1 . . . A 40 VAL C . 30249 1 229 . 1 1 40 40 VAL CA C 13 60.207 0.40 . 1 . . . A 40 VAL CA . 30249 1 230 . 1 1 40 40 VAL CB C 13 35.285 0.40 . 1 . . . A 40 VAL CB . 30249 1 231 . 1 1 40 40 VAL CG1 C 13 20.033 0.40 . 2 . . . A 40 VAL CG1 . 30249 1 232 . 1 1 40 40 VAL CG2 C 13 21.559 0.40 . 2 . . . A 40 VAL CG2 . 30249 1 233 . 1 1 40 40 VAL N N 15 117.702 0.40 . 1 . . . A 40 VAL N . 30249 1 234 . 1 1 41 41 THR H H 1 8.603 0.04 . 1 . . . A 41 THR H . 30249 1 235 . 1 1 41 41 THR HA H 1 5.094 0.04 . 1 . . . A 41 THR HA . 30249 1 236 . 1 1 41 41 THR HB H 1 3.767 0.04 . 1 . . . A 41 THR HB . 30249 1 237 . 1 1 41 41 THR HG21 H 1 0.812 0.04 . 1 . . . A 41 THR HG21 . 30249 1 238 . 1 1 41 41 THR HG22 H 1 0.812 0.04 . 1 . . . A 41 THR HG22 . 30249 1 239 . 1 1 41 41 THR HG23 H 1 0.812 0.04 . 1 . . . A 41 THR HG23 . 30249 1 240 . 1 1 41 41 THR C C 13 173.434 0.40 . 1 . . . A 41 THR C . 30249 1 241 . 1 1 41 41 THR CA C 13 61.578 0.40 . 1 . . . A 41 THR CA . 30249 1 242 . 1 1 41 41 THR CB C 13 69.081 0.40 . 1 . . . A 41 THR CB . 30249 1 243 . 1 1 41 41 THR CG2 C 13 20.960 0.40 . 1 . . . A 41 THR CG2 . 30249 1 244 . 1 1 41 41 THR N N 15 124.305 0.40 . 1 . . . A 41 THR N . 30249 1 245 . 1 1 42 42 TRP H H 1 9.236 0.04 . 1 . . . A 42 TRP H . 30249 1 246 . 1 1 42 42 TRP HA H 1 4.717 0.04 . 1 . . . A 42 TRP HA . 30249 1 247 . 1 1 42 42 TRP HB2 H 1 3.156 0.04 . 2 . . . A 42 TRP HB2 . 30249 1 248 . 1 1 42 42 TRP HB3 H 1 2.852 0.04 . 2 . . . A 42 TRP HB3 . 30249 1 249 . 1 1 42 42 TRP HD1 H 1 7.038 0.04 . 1 . . . A 42 TRP HD1 . 30249 1 250 . 1 1 42 42 TRP HE1 H 1 10.072 0.04 . 1 . . . A 42 TRP HE1 . 30249 1 251 . 1 1 42 42 TRP HZ2 H 1 7.212 0.04 . 1 . . . A 42 TRP HZ2 . 30249 1 252 . 1 1 42 42 TRP HH2 H 1 6.932 0.04 . 1 . . . A 42 TRP HH2 . 30249 1 253 . 1 1 42 42 TRP CA C 13 56.685 0.40 . 1 . . . A 42 TRP CA . 30249 1 254 . 1 1 42 42 TRP CB C 13 31.802 0.40 . 1 . . . A 42 TRP CB . 30249 1 255 . 1 1 42 42 TRP CD1 C 13 128.625 0.40 . 1 . . . A 42 TRP CD1 . 30249 1 256 . 1 1 42 42 TRP CZ2 C 13 116.625 0.40 . 1 . . . A 42 TRP CZ2 . 30249 1 257 . 1 1 42 42 TRP CH2 C 13 125.625 0.40 . 1 . . . A 42 TRP CH2 . 30249 1 258 . 1 1 42 42 TRP N N 15 128.802 0.40 . 1 . . . A 42 TRP N . 30249 1 259 . 1 1 42 42 TRP NE1 N 15 129.219 0.40 . 1 . . . A 42 TRP NE1 . 30249 1 260 . 1 1 43 43 ASN HA H 1 3.794 0.04 . 1 . . . A 43 ASN HA . 30249 1 261 . 1 1 43 43 ASN HB2 H 1 2.602 0.04 . 2 . . . A 43 ASN HB2 . 30249 1 262 . 1 1 43 43 ASN HB3 H 1 1.512 0.04 . 2 . . . A 43 ASN HB3 . 30249 1 263 . 1 1 43 43 ASN HD21 H 1 6.389 0.04 . 2 . . . A 43 ASN HD21 . 30249 1 264 . 1 1 43 43 ASN HD22 H 1 6.700 0.04 . 2 . . . A 43 ASN HD22 . 30249 1 265 . 1 1 43 43 ASN C C 13 175.365 0.40 . 1 . . . A 43 ASN C . 30249 1 266 . 1 1 43 43 ASN CA C 13 53.142 0.40 . 1 . . . A 43 ASN CA . 30249 1 267 . 1 1 43 43 ASN CB C 13 36.709 0.40 . 1 . . . A 43 ASN CB . 30249 1 268 . 1 1 43 43 ASN ND2 N 15 111.126 0.40 . 1 . . . A 43 ASN ND2 . 30249 1 269 . 1 1 44 44 GLY H H 1 8.343 0.04 . 1 . . . A 44 GLY H . 30249 1 270 . 1 1 44 44 GLY HA2 H 1 3.929 0.04 . 2 . . . A 44 GLY HA2 . 30249 1 271 . 1 1 44 44 GLY HA3 H 1 3.307 0.04 . 2 . . . A 44 GLY HA3 . 30249 1 272 . 1 1 44 44 GLY C C 13 173.845 0.40 . 1 . . . A 44 GLY C . 30249 1 273 . 1 1 44 44 GLY CA C 13 45.227 0.40 . 1 . . . A 44 GLY CA . 30249 1 274 . 1 1 44 44 GLY N N 15 103.053 0.40 . 1 . . . A 44 GLY N . 30249 1 275 . 1 1 45 45 THR H H 1 7.578 0.04 . 1 . . . A 45 THR H . 30249 1 276 . 1 1 45 45 THR HA H 1 4.230 0.04 . 1 . . . A 45 THR HA . 30249 1 277 . 1 1 45 45 THR HB H 1 3.765 0.04 . 1 . . . A 45 THR HB . 30249 1 278 . 1 1 45 45 THR HG21 H 1 0.421 0.04 . 1 . . . A 45 THR HG21 . 30249 1 279 . 1 1 45 45 THR HG22 H 1 0.421 0.04 . 1 . . . A 45 THR HG22 . 30249 1 280 . 1 1 45 45 THR HG23 H 1 0.421 0.04 . 1 . . . A 45 THR HG23 . 30249 1 281 . 1 1 45 45 THR C C 13 172.010 0.40 . 1 . . . A 45 THR C . 30249 1 282 . 1 1 45 45 THR CA C 13 61.687 0.40 . 1 . . . A 45 THR CA . 30249 1 283 . 1 1 45 45 THR CB C 13 71.025 0.40 . 1 . . . A 45 THR CB . 30249 1 284 . 1 1 45 45 THR CG2 C 13 20.851 0.40 . 1 . . . A 45 THR CG2 . 30249 1 285 . 1 1 45 45 THR N N 15 118.576 0.40 . 1 . . . A 45 THR N . 30249 1 286 . 1 1 46 46 THR H H 1 8.617 0.04 . 1 . . . A 46 THR H . 30249 1 287 . 1 1 46 46 THR HA H 1 4.638 0.04 . 1 . . . A 46 THR HA . 30249 1 288 . 1 1 46 46 THR HB H 1 3.688 0.04 . 1 . . . A 46 THR HB . 30249 1 289 . 1 1 46 46 THR HG21 H 1 0.831 0.04 . 1 . . . A 46 THR HG21 . 30249 1 290 . 1 1 46 46 THR HG22 H 1 0.831 0.04 . 1 . . . A 46 THR HG22 . 30249 1 291 . 1 1 46 46 THR HG23 H 1 0.831 0.04 . 1 . . . A 46 THR HG23 . 30249 1 292 . 1 1 46 46 THR C C 13 173.215 0.40 . 1 . . . A 46 THR C . 30249 1 293 . 1 1 46 46 THR CA C 13 62.454 0.40 . 1 . . . A 46 THR CA . 30249 1 294 . 1 1 46 46 THR CB C 13 68.972 0.40 . 1 . . . A 46 THR CB . 30249 1 295 . 1 1 46 46 THR CG2 C 13 21.314 0.40 . 1 . . . A 46 THR CG2 . 30249 1 296 . 1 1 46 46 THR N N 15 123.197 0.40 . 1 . . . A 46 THR N . 30249 1 297 . 1 1 47 47 TYR H H 1 9.500 0.04 . 1 . . . A 47 TYR H . 30249 1 298 . 1 1 47 47 TYR HA H 1 4.463 0.04 . 1 . . . A 47 TYR HA . 30249 1 299 . 1 1 47 47 TYR HB2 H 1 2.714 0.04 . 2 . . . A 47 TYR HB2 . 30249 1 300 . 1 1 47 47 TYR HB3 H 1 2.559 0.04 . 2 . . . A 47 TYR HB3 . 30249 1 301 . 1 1 47 47 TYR HD1 H 1 6.976 0.04 . 3 . . . A 47 TYR HD1 . 30249 1 302 . 1 1 47 47 TYR HD2 H 1 6.976 0.04 . 3 . . . A 47 TYR HD2 . 30249 1 303 . 1 1 47 47 TYR HE1 H 1 6.881 0.04 . 3 . . . A 47 TYR HE1 . 30249 1 304 . 1 1 47 47 TYR HE2 H 1 6.881 0.04 . 3 . . . A 47 TYR HE2 . 30249 1 305 . 1 1 47 47 TYR C C 13 174.954 0.40 . 1 . . . A 47 TYR C . 30249 1 306 . 1 1 47 47 TYR CA C 13 57.716 0.40 . 1 . . . A 47 TYR CA . 30249 1 307 . 1 1 47 47 TYR CB C 13 40.817 0.40 . 1 . . . A 47 TYR CB . 30249 1 308 . 1 1 47 47 TYR CD1 C 13 134.625 0.40 . 3 . . . A 47 TYR CD1 . 30249 1 309 . 1 1 47 47 TYR CE1 C 13 119.625 0.40 . 3 . . . A 47 TYR CE1 . 30249 1 310 . 1 1 47 47 TYR N N 15 128.786 0.40 . 1 . . . A 47 TYR N . 30249 1 311 . 1 1 48 48 THR H H 1 8.526 0.04 . 1 . . . A 48 THR H . 30249 1 312 . 1 1 48 48 THR HA H 1 4.214 0.04 . 1 . . . A 48 THR HA . 30249 1 313 . 1 1 48 48 THR HB H 1 4.085 0.04 . 1 . . . A 48 THR HB . 30249 1 314 . 1 1 48 48 THR HG21 H 1 0.931 0.04 . 1 . . . A 48 THR HG21 . 30249 1 315 . 1 1 48 48 THR HG22 H 1 0.931 0.04 . 1 . . . A 48 THR HG22 . 30249 1 316 . 1 1 48 48 THR HG23 H 1 0.931 0.04 . 1 . . . A 48 THR HG23 . 30249 1 317 . 1 1 48 48 THR C C 13 173.955 0.40 . 1 . . . A 48 THR C . 30249 1 318 . 1 1 48 48 THR CA C 13 61.386 0.40 . 1 . . . A 48 THR CA . 30249 1 319 . 1 1 48 48 THR CB C 13 69.602 0.40 . 1 . . . A 48 THR CB . 30249 1 320 . 1 1 48 48 THR CG2 C 13 21.450 0.40 . 1 . . . A 48 THR CG2 . 30249 1 321 . 1 1 48 48 THR N N 15 110.984 0.40 . 1 . . . A 48 THR N . 30249 1 322 . 1 1 49 49 ASP H H 1 7.913 0.04 . 1 . . . A 49 ASP H . 30249 1 323 . 1 1 49 49 ASP HA H 1 4.924 0.04 . 1 . . . A 49 ASP HA . 30249 1 324 . 1 1 49 49 ASP HB2 H 1 2.788 0.04 . 2 . . . A 49 ASP HB2 . 30249 1 325 . 1 1 49 49 ASP HB3 H 1 2.578 0.04 . 2 . . . A 49 ASP HB3 . 30249 1 326 . 1 1 49 49 ASP CA C 13 50.719 0.40 . 1 . . . A 49 ASP CA . 30249 1 327 . 1 1 49 49 ASP CB C 13 42.534 0.40 . 1 . . . A 49 ASP CB . 30249 1 328 . 1 1 49 49 ASP N N 15 124.478 0.40 . 1 . . . A 49 ASP N . 30249 1 329 . 1 1 50 50 PRO HA H 1 3.946 0.04 . 1 . . . A 50 PRO HA . 30249 1 330 . 1 1 50 50 PRO HB2 H 1 2.249 0.04 . 2 . . . A 50 PRO HB2 . 30249 1 331 . 1 1 50 50 PRO HB3 H 1 1.769 0.04 . 2 . . . A 50 PRO HB3 . 30249 1 332 . 1 1 50 50 PRO HG2 H 1 1.888 0.04 . 2 . . . A 50 PRO HG2 . 30249 1 333 . 1 1 50 50 PRO HG3 H 1 1.888 0.04 . 2 . . . A 50 PRO HG3 . 30249 1 334 . 1 1 50 50 PRO HD2 H 1 3.869 0.04 . 2 . . . A 50 PRO HD2 . 30249 1 335 . 1 1 50 50 PRO HD3 H 1 3.869 0.04 . 2 . . . A 50 PRO HD3 . 30249 1 336 . 1 1 50 50 PRO C C 13 178.268 0.40 . 1 . . . A 50 PRO C . 30249 1 337 . 1 1 50 50 PRO CA C 13 64.699 0.40 . 1 . . . A 50 PRO CA . 30249 1 338 . 1 1 50 50 PRO CB C 13 32.069 0.40 . 1 . . . A 50 PRO CB . 30249 1 339 . 1 1 50 50 PRO CG C 13 27.143 0.40 . 1 . . . A 50 PRO CG . 30249 1 340 . 1 1 50 50 PRO CD C 13 51.251 0.40 . 1 . . . A 50 PRO CD . 30249 1 341 . 1 1 51 51 ASN H H 1 8.396 0.04 . 1 . . . A 51 ASN H . 30249 1 342 . 1 1 51 51 ASN HA H 1 4.185 0.04 . 1 . . . A 51 ASN HA . 30249 1 343 . 1 1 51 51 ASN HB2 H 1 2.746 0.04 . 2 . . . A 51 ASN HB2 . 30249 1 344 . 1 1 51 51 ASN HB3 H 1 2.513 0.04 . 2 . . . A 51 ASN HB3 . 30249 1 345 . 1 1 51 51 ASN HD21 H 1 6.945 0.04 . 2 . . . A 51 ASN HD21 . 30249 1 346 . 1 1 51 51 ASN HD22 H 1 7.951 0.04 . 2 . . . A 51 ASN HD22 . 30249 1 347 . 1 1 51 51 ASN C C 13 178.665 0.40 . 1 . . . A 51 ASN C . 30249 1 348 . 1 1 51 51 ASN CA C 13 56.163 0.40 . 1 . . . A 51 ASN CA . 30249 1 349 . 1 1 51 51 ASN CB C 13 37.873 0.40 . 1 . . . A 51 ASN CB . 30249 1 350 . 1 1 51 51 ASN N N 15 115.131 0.40 . 1 . . . A 51 ASN N . 30249 1 351 . 1 1 51 51 ASN ND2 N 15 115.576 0.40 . 1 . . . A 51 ASN ND2 . 30249 1 352 . 1 1 52 52 GLU H H 1 7.609 0.04 . 1 . . . A 52 GLU H . 30249 1 353 . 1 1 52 52 GLU HA H 1 3.940 0.04 . 1 . . . A 52 GLU HA . 30249 1 354 . 1 1 52 52 GLU HB2 H 1 2.090 0.04 . 2 . . . A 52 GLU HB2 . 30249 1 355 . 1 1 52 52 GLU HB3 H 1 2.176 0.04 . 2 . . . A 52 GLU HB3 . 30249 1 356 . 1 1 52 52 GLU HG2 H 1 2.400 0.04 . 2 . . . A 52 GLU HG2 . 30249 1 357 . 1 1 52 52 GLU HG3 H 1 2.168 0.04 . 2 . . . A 52 GLU HG3 . 30249 1 358 . 1 1 52 52 GLU C C 13 178.912 0.40 . 1 . . . A 52 GLU C . 30249 1 359 . 1 1 52 52 GLU CA C 13 58.291 0.40 . 1 . . . A 52 GLU CA . 30249 1 360 . 1 1 52 52 GLU CB C 13 29.729 0.40 . 1 . . . A 52 GLU CB . 30249 1 361 . 1 1 52 52 GLU CG C 13 36.289 0.40 . 1 . . . A 52 GLU CG . 30249 1 362 . 1 1 52 52 GLU N N 15 119.166 0.40 . 1 . . . A 52 GLU N . 30249 1 363 . 1 1 53 53 ILE H H 1 7.347 0.04 . 1 . . . A 53 ILE H . 30249 1 364 . 1 1 53 53 ILE HA H 1 2.984 0.04 . 1 . . . A 53 ILE HA . 30249 1 365 . 1 1 53 53 ILE HB H 1 1.629 0.04 . 1 . . . A 53 ILE HB . 30249 1 366 . 1 1 53 53 ILE HG21 H 1 0.510 0.04 . 1 . . . A 53 ILE HG21 . 30249 1 367 . 1 1 53 53 ILE HG22 H 1 0.510 0.04 . 1 . . . A 53 ILE HG22 . 30249 1 368 . 1 1 53 53 ILE HG23 H 1 0.510 0.04 . 1 . . . A 53 ILE HG23 . 30249 1 369 . 1 1 53 53 ILE HD11 H 1 0.491 0.04 . 1 . . . A 53 ILE HD11 . 30249 1 370 . 1 1 53 53 ILE HD12 H 1 0.491 0.04 . 1 . . . A 53 ILE HD12 . 30249 1 371 . 1 1 53 53 ILE HD13 H 1 0.491 0.04 . 1 . . . A 53 ILE HD13 . 30249 1 372 . 1 1 53 53 ILE C C 13 177.447 0.40 . 1 . . . A 53 ILE C . 30249 1 373 . 1 1 53 53 ILE CA C 13 64.892 0.40 . 1 . . . A 53 ILE CA . 30249 1 374 . 1 1 53 53 ILE CB C 13 37.284 0.40 . 1 . . . A 53 ILE CB . 30249 1 375 . 1 1 53 53 ILE CG2 C 13 17.881 0.40 . 1 . . . A 53 ILE CG2 . 30249 1 376 . 1 1 53 53 ILE CD1 C 13 12.787 0.40 . 1 . . . A 53 ILE CD1 . 30249 1 377 . 1 1 53 53 ILE N N 15 120.358 0.40 . 1 . . . A 53 ILE N . 30249 1 378 . 1 1 54 54 LYS H H 1 8.012 0.04 . 1 . . . A 54 LYS H . 30249 1 379 . 1 1 54 54 LYS HA H 1 3.591 0.04 . 1 . . . A 54 LYS HA . 30249 1 380 . 1 1 54 54 LYS HB2 H 1 1.693 0.04 . 2 . . . A 54 LYS HB2 . 30249 1 381 . 1 1 54 54 LYS HB3 H 1 1.664 0.04 . 2 . . . A 54 LYS HB3 . 30249 1 382 . 1 1 54 54 LYS HE2 H 1 2.682 0.04 . 2 . . . A 54 LYS HE2 . 30249 1 383 . 1 1 54 54 LYS HE3 H 1 2.682 0.04 . 2 . . . A 54 LYS HE3 . 30249 1 384 . 1 1 54 54 LYS C C 13 178.516 0.40 . 1 . . . A 54 LYS C . 30249 1 385 . 1 1 54 54 LYS CA C 13 60.125 0.40 . 1 . . . A 54 LYS CA . 30249 1 386 . 1 1 54 54 LYS CB C 13 31.928 0.40 . 1 . . . A 54 LYS CB . 30249 1 387 . 1 1 54 54 LYS CE C 13 41.935 0.40 . 1 . . . A 54 LYS CE . 30249 1 388 . 1 1 54 54 LYS N N 15 118.631 0.40 . 1 . . . A 54 LYS N . 30249 1 389 . 1 1 55 55 LYS H H 1 6.992 0.04 . 1 . . . A 55 LYS H . 30249 1 390 . 1 1 55 55 LYS HA H 1 3.827 0.04 . 1 . . . A 55 LYS HA . 30249 1 391 . 1 1 55 55 LYS HB2 H 1 1.742 0.04 . 2 . . . A 55 LYS HB2 . 30249 1 392 . 1 1 55 55 LYS HB3 H 1 1.742 0.04 . 2 . . . A 55 LYS HB3 . 30249 1 393 . 1 1 55 55 LYS HE2 H 1 2.754 0.04 . 2 . . . A 55 LYS HE2 . 30249 1 394 . 1 1 55 55 LYS HE3 H 1 2.754 0.04 . 2 . . . A 55 LYS HE3 . 30249 1 395 . 1 1 55 55 LYS C C 13 178.694 0.40 . 1 . . . A 55 LYS C . 30249 1 396 . 1 1 55 55 LYS CA C 13 59.200 0.40 . 1 . . . A 55 LYS CA . 30249 1 397 . 1 1 55 55 LYS CB C 13 32.043 0.40 . 1 . . . A 55 LYS CB . 30249 1 398 . 1 1 55 55 LYS CE C 13 41.935 0.40 . 1 . . . A 55 LYS CE . 30249 1 399 . 1 1 55 55 LYS N N 15 118.453 0.40 . 1 . . . A 55 LYS N . 30249 1 400 . 1 1 56 56 VAL H H 1 7.138 0.04 . 1 . . . A 56 VAL H . 30249 1 401 . 1 1 56 56 VAL HA H 1 3.261 0.04 . 1 . . . A 56 VAL HA . 30249 1 402 . 1 1 56 56 VAL HB H 1 1.680 0.04 . 1 . . . A 56 VAL HB . 30249 1 403 . 1 1 56 56 VAL HG11 H 1 0.423 0.04 . 2 . . . A 56 VAL HG11 . 30249 1 404 . 1 1 56 56 VAL HG12 H 1 0.423 0.04 . 2 . . . A 56 VAL HG12 . 30249 1 405 . 1 1 56 56 VAL HG13 H 1 0.423 0.04 . 2 . . . A 56 VAL HG13 . 30249 1 406 . 1 1 56 56 VAL HG21 H 1 -0.106 0.04 . 2 . . . A 56 VAL HG21 . 30249 1 407 . 1 1 56 56 VAL HG22 H 1 -0.106 0.04 . 2 . . . A 56 VAL HG22 . 30249 1 408 . 1 1 56 56 VAL HG23 H 1 -0.106 0.04 . 2 . . . A 56 VAL HG23 . 30249 1 409 . 1 1 56 56 VAL C C 13 178.227 0.40 . 1 . . . A 56 VAL C . 30249 1 410 . 1 1 56 56 VAL CA C 13 66.260 0.40 . 1 . . . A 56 VAL CA . 30249 1 411 . 1 1 56 56 VAL CB C 13 30.848 0.40 . 1 . . . A 56 VAL CB . 30249 1 412 . 1 1 56 56 VAL CG1 C 13 21.641 0.40 . 2 . . . A 56 VAL CG1 . 30249 1 413 . 1 1 56 56 VAL CG2 C 13 20.578 0.40 . 2 . . . A 56 VAL CG2 . 30249 1 414 . 1 1 56 56 VAL N N 15 121.345 0.40 . 1 . . . A 56 VAL N . 30249 1 415 . 1 1 57 57 ILE H H 1 7.599 0.04 . 1 . . . A 57 ILE H . 30249 1 416 . 1 1 57 57 ILE HA H 1 3.035 0.04 . 1 . . . A 57 ILE HA . 30249 1 417 . 1 1 57 57 ILE HB H 1 1.645 0.04 . 1 . . . A 57 ILE HB . 30249 1 418 . 1 1 57 57 ILE HG21 H 1 0.649 0.04 . 1 . . . A 57 ILE HG21 . 30249 1 419 . 1 1 57 57 ILE HG22 H 1 0.649 0.04 . 1 . . . A 57 ILE HG22 . 30249 1 420 . 1 1 57 57 ILE HG23 H 1 0.649 0.04 . 1 . . . A 57 ILE HG23 . 30249 1 421 . 1 1 57 57 ILE HD11 H 1 0.493 0.04 . 1 . . . A 57 ILE HD11 . 30249 1 422 . 1 1 57 57 ILE HD12 H 1 0.493 0.04 . 1 . . . A 57 ILE HD12 . 30249 1 423 . 1 1 57 57 ILE HD13 H 1 0.493 0.04 . 1 . . . A 57 ILE HD13 . 30249 1 424 . 1 1 57 57 ILE C C 13 177.118 0.40 . 1 . . . A 57 ILE C . 30249 1 425 . 1 1 57 57 ILE CA C 13 66.260 0.40 . 1 . . . A 57 ILE CA . 30249 1 426 . 1 1 57 57 ILE CB C 13 38.023 0.40 . 1 . . . A 57 ILE CB . 30249 1 427 . 1 1 57 57 ILE CG2 C 13 17.500 0.40 . 1 . . . A 57 ILE CG2 . 30249 1 428 . 1 1 57 57 ILE CD1 C 13 14.258 0.40 . 1 . . . A 57 ILE CD1 . 30249 1 429 . 1 1 57 57 ILE N N 15 119.132 0.40 . 1 . . . A 57 ILE N . 30249 1 430 . 1 1 58 58 GLU H H 1 7.804 0.04 . 1 . . . A 58 GLU H . 30249 1 431 . 1 1 58 58 GLU HA H 1 3.739 0.04 . 1 . . . A 58 GLU HA . 30249 1 432 . 1 1 58 58 GLU HB2 H 1 1.872 0.04 . 2 . . . A 58 GLU HB2 . 30249 1 433 . 1 1 58 58 GLU HB3 H 1 1.872 0.04 . 2 . . . A 58 GLU HB3 . 30249 1 434 . 1 1 58 58 GLU HG2 H 1 2.088 0.04 . 2 . . . A 58 GLU HG2 . 30249 1 435 . 1 1 58 58 GLU HG3 H 1 2.088 0.04 . 2 . . . A 58 GLU HG3 . 30249 1 436 . 1 1 58 58 GLU C C 13 179.049 0.40 . 1 . . . A 58 GLU C . 30249 1 437 . 1 1 58 58 GLU CA C 13 58.975 0.40 . 1 . . . A 58 GLU CA . 30249 1 438 . 1 1 58 58 GLU CB C 13 28.985 0.40 . 1 . . . A 58 GLU CB . 30249 1 439 . 1 1 58 58 GLU CG C 13 35.969 0.40 . 1 . . . A 58 GLU CG . 30249 1 440 . 1 1 58 58 GLU N N 15 117.615 0.40 . 1 . . . A 58 GLU N . 30249 1 441 . 1 1 59 59 GLU H H 1 7.732 0.04 . 1 . . . A 59 GLU H . 30249 1 442 . 1 1 59 59 GLU HA H 1 3.831 0.04 . 1 . . . A 59 GLU HA . 30249 1 443 . 1 1 59 59 GLU HB2 H 1 1.975 0.04 . 2 . . . A 59 GLU HB2 . 30249 1 444 . 1 1 59 59 GLU HB3 H 1 1.975 0.04 . 2 . . . A 59 GLU HB3 . 30249 1 445 . 1 1 59 59 GLU HG2 H 1 2.112 0.04 . 2 . . . A 59 GLU HG2 . 30249 1 446 . 1 1 59 59 GLU HG3 H 1 2.112 0.04 . 2 . . . A 59 GLU HG3 . 30249 1 447 . 1 1 59 59 GLU C C 13 179.953 0.40 . 1 . . . A 59 GLU C . 30249 1 448 . 1 1 59 59 GLU CA C 13 58.894 0.40 . 1 . . . A 59 GLU CA . 30249 1 449 . 1 1 59 59 GLU CB C 13 29.040 0.40 . 1 . . . A 59 GLU CB . 30249 1 450 . 1 1 59 59 GLU CG C 13 35.969 0.40 . 1 . . . A 59 GLU CG . 30249 1 451 . 1 1 59 59 GLU N N 15 119.373 0.40 . 1 . . . A 59 GLU N . 30249 1 452 . 1 1 60 60 LEU H H 1 8.078 0.04 . 1 . . . A 60 LEU H . 30249 1 453 . 1 1 60 60 LEU HA H 1 3.858 0.04 . 1 . . . A 60 LEU HA . 30249 1 454 . 1 1 60 60 LEU HB2 H 1 1.725 0.04 . 2 . . . A 60 LEU HB2 . 30249 1 455 . 1 1 60 60 LEU HB3 H 1 1.040 0.04 . 2 . . . A 60 LEU HB3 . 30249 1 456 . 1 1 60 60 LEU HG H 1 1.520 0.04 . 1 . . . A 60 LEU HG . 30249 1 457 . 1 1 60 60 LEU HD11 H 1 0.355 0.04 . 2 . . . A 60 LEU HD11 . 30249 1 458 . 1 1 60 60 LEU HD12 H 1 0.355 0.04 . 2 . . . A 60 LEU HD12 . 30249 1 459 . 1 1 60 60 LEU HD13 H 1 0.355 0.04 . 2 . . . A 60 LEU HD13 . 30249 1 460 . 1 1 60 60 LEU HD21 H 1 0.722 0.04 . 2 . . . A 60 LEU HD21 . 30249 1 461 . 1 1 60 60 LEU HD22 H 1 0.722 0.04 . 2 . . . A 60 LEU HD22 . 30249 1 462 . 1 1 60 60 LEU HD23 H 1 0.722 0.04 . 2 . . . A 60 LEU HD23 . 30249 1 463 . 1 1 60 60 LEU C C 13 180.103 0.40 . 1 . . . A 60 LEU C . 30249 1 464 . 1 1 60 60 LEU CA C 13 57.606 0.40 . 1 . . . A 60 LEU CA . 30249 1 465 . 1 1 60 60 LEU CB C 13 41.733 0.40 . 1 . . . A 60 LEU CB . 30249 1 466 . 1 1 60 60 LEU CG C 13 26.639 0.40 . 1 . . . A 60 LEU CG . 30249 1 467 . 1 1 60 60 LEU CD1 C 13 25.863 0.40 . 2 . . . A 60 LEU CD1 . 30249 1 468 . 1 1 60 60 LEU CD2 C 13 22.921 0.40 . 2 . . . A 60 LEU CD2 . 30249 1 469 . 1 1 60 60 LEU N N 15 121.562 0.40 . 1 . . . A 60 LEU N . 30249 1 470 . 1 1 61 61 ARG H H 1 8.277 0.04 . 1 . . . A 61 ARG H . 30249 1 471 . 1 1 61 61 ARG HA H 1 3.657 0.04 . 1 . . . A 61 ARG HA . 30249 1 472 . 1 1 61 61 ARG HB2 H 1 1.691 0.04 . 2 . . . A 61 ARG HB2 . 30249 1 473 . 1 1 61 61 ARG HB3 H 1 1.691 0.04 . 2 . . . A 61 ARG HB3 . 30249 1 474 . 1 1 61 61 ARG HD2 H 1 3.005 0.04 . 2 . . . A 61 ARG HD2 . 30249 1 475 . 1 1 61 61 ARG HD3 H 1 3.005 0.04 . 2 . . . A 61 ARG HD3 . 30249 1 476 . 1 1 61 61 ARG C C 13 178.460 0.40 . 1 . . . A 61 ARG C . 30249 1 477 . 1 1 61 61 ARG CA C 13 59.523 0.40 . 1 . . . A 61 ARG CA . 30249 1 478 . 1 1 61 61 ARG CB C 13 29.780 0.40 . 1 . . . A 61 ARG CB . 30249 1 479 . 1 1 61 61 ARG CD C 13 43.133 0.40 . 1 . . . A 61 ARG CD . 30249 1 480 . 1 1 61 61 ARG N N 15 118.835 0.40 . 1 . . . A 61 ARG N . 30249 1 481 . 1 1 62 62 LYS H H 1 7.488 0.04 . 1 . . . A 62 LYS H . 30249 1 482 . 1 1 62 62 LYS HA H 1 4.005 0.04 . 1 . . . A 62 LYS HA . 30249 1 483 . 1 1 62 62 LYS HB2 H 1 1.752 0.04 . 2 . . . A 62 LYS HB2 . 30249 1 484 . 1 1 62 62 LYS HB3 H 1 1.752 0.04 . 2 . . . A 62 LYS HB3 . 30249 1 485 . 1 1 62 62 LYS C C 13 177.036 0.40 . 1 . . . A 62 LYS C . 30249 1 486 . 1 1 62 62 LYS CA C 13 57.852 0.40 . 1 . . . A 62 LYS CA . 30249 1 487 . 1 1 62 62 LYS CB C 13 32.601 0.40 . 1 . . . A 62 LYS CB . 30249 1 488 . 1 1 62 62 LYS N N 15 117.279 0.40 . 1 . . . A 62 LYS N . 30249 1 489 . 1 1 63 63 SER H H 1 7.585 0.04 . 1 . . . A 63 SER H . 30249 1 490 . 1 1 63 63 SER HA H 1 4.338 0.04 . 1 . . . A 63 SER HA . 30249 1 491 . 1 1 63 63 SER HB2 H 1 3.884 0.04 . 2 . . . A 63 SER HB2 . 30249 1 492 . 1 1 63 63 SER HB3 H 1 3.841 0.04 . 2 . . . A 63 SER HB3 . 30249 1 493 . 1 1 63 63 SER C C 13 173.352 0.40 . 1 . . . A 63 SER C . 30249 1 494 . 1 1 63 63 SER CA C 13 58.974 0.40 . 1 . . . A 63 SER CA . 30249 1 495 . 1 1 63 63 SER CB C 13 64.029 0.40 . 1 . . . A 63 SER CB . 30249 1 496 . 1 1 63 63 SER N N 15 114.301 0.40 . 1 . . . A 63 SER N . 30249 1 497 . 1 1 64 64 MET H H 1 7.168 0.04 . 1 . . . A 64 MET H . 30249 1 498 . 1 1 64 64 MET HA H 1 3.982 0.04 . 1 . . . A 64 MET HA . 30249 1 499 . 1 1 64 64 MET HB2 H 1 1.925 0.04 . 2 . . . A 64 MET HB2 . 30249 1 500 . 1 1 64 64 MET HB3 H 1 1.824 0.04 . 2 . . . A 64 MET HB3 . 30249 1 501 . 1 1 64 64 MET HG2 H 1 2.413 0.04 . 2 . . . A 64 MET HG2 . 30249 1 502 . 1 1 64 64 MET HG3 H 1 2.263 0.04 . 2 . . . A 64 MET HG3 . 30249 1 503 . 1 1 64 64 MET CA C 13 57.775 0.40 . 1 . . . A 64 MET CA . 30249 1 504 . 1 1 64 64 MET CB C 13 33.953 0.40 . 1 . . . A 64 MET CB . 30249 1 505 . 1 1 64 64 MET CG C 13 32.360 0.40 . 1 . . . A 64 MET CG . 30249 1 506 . 1 1 64 64 MET N N 15 126.521 0.40 . 1 . . . A 64 MET N . 30249 1 stop_ save_