################################### # 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_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 18437 _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 2 '3D H(CCO)NH' . . . 18437 1 3 '3D HNCO' . . . 18437 1 4 '3D HNCACB' . . . 18437 1 5 '3D CBCA(CO)NH' . . . 18437 1 6 '3D 1H-15N NOESY' . . . 18437 1 8 '3D C(CO)NH' . . . 18437 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 1 1 PRO HA H 1 4.417 0.003 . 1 . . . A 72 PRO HA . 18437 1 2 . 1 1 1 1 PRO HB2 H 1 2.297 0.012 . 2 . . . A 72 PRO HB2 . 18437 1 3 . 1 1 1 1 PRO HB3 H 1 1.88 0 . 2 . . . A 72 PRO HB3 . 18437 1 4 . 1 1 1 1 PRO HG2 H 1 2.036 0.014 . 2 . . . A 72 PRO HG2 . 18437 1 5 . 1 1 1 1 PRO HG3 H 1 2.036 0.014 . 2 . . . A 72 PRO HG3 . 18437 1 6 . 1 1 1 1 PRO HD2 H 1 3.649 0 . 2 . . . A 72 PRO HD2 . 18437 1 7 . 1 1 1 1 PRO HD3 H 1 3.856 0 . 2 . . . A 72 PRO HD3 . 18437 1 8 . 1 1 1 1 PRO CA C 13 63.196 0 . 1 . . . A 72 PRO CA . 18437 1 9 . 1 1 1 1 PRO CB C 13 32.047 0 . 1 . . . A 72 PRO CB . 18437 1 10 . 1 1 1 1 PRO CG C 13 27.6 0 . 1 . . . A 72 PRO CG . 18437 1 11 . 1 1 1 1 PRO CD C 13 50.999 0 . 1 . . . A 72 PRO CD . 18437 1 12 . 1 1 2 2 ASP H H 1 8.508 0.002 . 1 . . . A 73 ASP H . 18437 1 13 . 1 1 2 2 ASP HA H 1 4.62 0.004 . 1 . . . A 73 ASP HA . 18437 1 14 . 1 1 2 2 ASP HB2 H 1 2.69 0.015 . 2 . . . A 73 ASP HB2 . 18437 1 15 . 1 1 2 2 ASP HB3 H 1 2.729 0.003 . 2 . . . A 73 ASP HB3 . 18437 1 16 . 1 1 2 2 ASP CA C 13 54.246 0 . 1 . . . A 73 ASP CA . 18437 1 17 . 1 1 2 2 ASP CB C 13 41.077 0 . 1 . . . A 73 ASP CB . 18437 1 18 . 1 1 2 2 ASP N N 15 119.729 0 . 1 . . . A 73 ASP N . 18437 1 19 . 1 1 3 3 THR H H 1 8.047 0.002 . 1 . . . A 74 THR H . 18437 1 20 . 1 1 3 3 THR HA H 1 4.328 0.003 . 1 . . . A 74 THR HA . 18437 1 21 . 1 1 3 3 THR HB H 1 4.177 0.003 . 1 . . . A 74 THR HB . 18437 1 22 . 1 1 3 3 THR HG21 H 1 1.198 0.003 . 1 . . . A 74 THR HG21 . 18437 1 23 . 1 1 3 3 THR HG22 H 1 1.198 0.003 . 1 . . . A 74 THR HG22 . 18437 1 24 . 1 1 3 3 THR HG23 H 1 1.198 0.003 . 1 . . . A 74 THR HG23 . 18437 1 25 . 1 1 3 3 THR CA C 13 62.046 0 . 1 . . . A 74 THR CA . 18437 1 26 . 1 1 3 3 THR CB C 13 69.779 0 . 1 . . . A 74 THR CB . 18437 1 27 . 1 1 3 3 THR CG2 C 13 21.627 0 . 1 . . . A 74 THR CG2 . 18437 1 28 . 1 1 3 3 THR N N 15 114.613 0.01 . 1 . . . A 74 THR N . 18437 1 29 . 1 1 4 4 VAL H H 1 8.225 0.004 . 1 . . . A 75 VAL H . 18437 1 30 . 1 1 4 4 VAL HA H 1 4.123 0.003 . 1 . . . A 75 VAL HA . 18437 1 31 . 1 1 4 4 VAL HB H 1 2.057 0.003 . 1 . . . A 75 VAL HB . 18437 1 32 . 1 1 4 4 VAL HG11 H 1 0.944 0.006 . 2 . . . A 75 VAL HG11 . 18437 1 33 . 1 1 4 4 VAL HG12 H 1 0.944 0.006 . 2 . . . A 75 VAL HG12 . 18437 1 34 . 1 1 4 4 VAL HG13 H 1 0.944 0.006 . 2 . . . A 75 VAL HG13 . 18437 1 35 . 1 1 4 4 VAL HG21 H 1 0.901 0.003 . 2 . . . A 75 VAL HG21 . 18437 1 36 . 1 1 4 4 VAL HG22 H 1 0.901 0.003 . 2 . . . A 75 VAL HG22 . 18437 1 37 . 1 1 4 4 VAL HG23 H 1 0.901 0.003 . 2 . . . A 75 VAL HG23 . 18437 1 38 . 1 1 4 4 VAL CA C 13 62.272 0 . 1 . . . A 75 VAL CA . 18437 1 39 . 1 1 4 4 VAL CB C 13 32.873 0 . 1 . . . A 75 VAL CB . 18437 1 40 . 1 1 4 4 VAL CG1 C 13 20.828 0 . 2 . . . A 75 VAL CG1 . 18437 1 41 . 1 1 4 4 VAL CG2 C 13 21.281 0 . 2 . . . A 75 VAL CG2 . 18437 1 42 . 1 1 4 4 VAL N N 15 123.803 0 . 1 . . . A 75 VAL N . 18437 1 43 . 1 1 5 5 ILE H H 1 8.349 0.003 . 1 . . . A 76 ILE H . 18437 1 44 . 1 1 5 5 ILE HA H 1 4.172 0.002 . 1 . . . A 76 ILE HA . 18437 1 45 . 1 1 5 5 ILE HB H 1 1.841 0.004 . 1 . . . A 76 ILE HB . 18437 1 46 . 1 1 5 5 ILE HG12 H 1 1.489 0.003 . 2 . . . A 76 ILE HG12 . 18437 1 47 . 1 1 5 5 ILE HG13 H 1 1.18 0.004 . 2 . . . A 76 ILE HG13 . 18437 1 48 . 1 1 5 5 ILE HG21 H 1 0.875 0 . 1 . . . A 76 ILE HG21 . 18437 1 49 . 1 1 5 5 ILE HG22 H 1 0.875 0 . 1 . . . A 76 ILE HG22 . 18437 1 50 . 1 1 5 5 ILE HG23 H 1 0.875 0 . 1 . . . A 76 ILE HG23 . 18437 1 51 . 1 1 5 5 ILE HD11 H 1 0.841 0 . 1 . . . A 76 ILE HD11 . 18437 1 52 . 1 1 5 5 ILE HD12 H 1 0.841 0 . 1 . . . A 76 ILE HD12 . 18437 1 53 . 1 1 5 5 ILE HD13 H 1 0.841 0 . 1 . . . A 76 ILE HD13 . 18437 1 54 . 1 1 5 5 ILE CA C 13 60.469 0 . 1 . . . A 76 ILE CA . 18437 1 55 . 1 1 5 5 ILE CB C 13 38.57 0 . 1 . . . A 76 ILE CB . 18437 1 56 . 1 1 5 5 ILE CG1 C 13 27.183 0 . 1 . . . A 76 ILE CG1 . 18437 1 57 . 1 1 5 5 ILE CG2 C 13 17.377 0 . 1 . . . A 76 ILE CG2 . 18437 1 58 . 1 1 5 5 ILE CD1 C 13 12.701 0 . 1 . . . A 76 ILE CD1 . 18437 1 59 . 1 1 5 5 ILE N N 15 126.05 0 . 1 . . . A 76 ILE N . 18437 1 60 . 1 1 6 6 LEU H H 1 8.408 0 . 1 . . . A 77 LEU H . 18437 1 61 . 1 1 6 6 LEU HA H 1 4.374 0.003 . 1 . . . A 77 LEU HA . 18437 1 62 . 1 1 6 6 LEU HB2 H 1 1.564 0 . 2 . . . A 77 LEU HB2 . 18437 1 63 . 1 1 6 6 LEU HB3 H 1 1.612 0 . 2 . . . A 77 LEU HB3 . 18437 1 64 . 1 1 6 6 LEU HD11 H 1 0.852 0 . 2 . . . A 77 LEU HD11 . 18437 1 65 . 1 1 6 6 LEU HD12 H 1 0.852 0 . 2 . . . A 77 LEU HD12 . 18437 1 66 . 1 1 6 6 LEU HD13 H 1 0.852 0 . 2 . . . A 77 LEU HD13 . 18437 1 67 . 1 1 6 6 LEU CA C 13 55.042 0 . 1 . . . A 77 LEU CA . 18437 1 68 . 1 1 6 6 LEU CB C 13 42.7 0 . 1 . . . A 77 LEU CB . 18437 1 69 . 1 1 6 6 LEU CD1 C 13 23.473 0 . 2 . . . A 77 LEU CD1 . 18437 1 70 . 1 1 6 6 LEU N N 15 127.505 0.003 . 1 . . . A 77 LEU N . 18437 1 71 . 1 1 7 7 ASP H H 1 8.468 0.001 . 1 . . . A 78 ASP H . 18437 1 72 . 1 1 7 7 ASP HA H 1 4.809 0.027 . 1 . . . A 78 ASP HA . 18437 1 73 . 1 1 7 7 ASP HB2 H 1 2.841 0.003 . 2 . . . A 78 ASP HB2 . 18437 1 74 . 1 1 7 7 ASP HB3 H 1 2.657 0.004 . 2 . . . A 78 ASP HB3 . 18437 1 75 . 1 1 7 7 ASP CA C 13 53.746 0 . 1 . . . A 78 ASP CA . 18437 1 76 . 1 1 7 7 ASP CB C 13 41.327 0 . 1 . . . A 78 ASP CB . 18437 1 77 . 1 1 7 7 ASP N N 15 122.422 0 . 1 . . . A 78 ASP N . 18437 1 78 . 1 1 8 8 THR H H 1 8.447 0 . 1 . . . A 79 THR H . 18437 1 79 . 1 1 8 8 THR HA H 1 4.237 0.017 . 1 . . . A 79 THR HA . 18437 1 80 . 1 1 8 8 THR HB H 1 4.396 0.004 . 1 . . . A 79 THR HB . 18437 1 81 . 1 1 8 8 THR HG21 H 1 1.185 0 . 1 . . . A 79 THR HG21 . 18437 1 82 . 1 1 8 8 THR HG22 H 1 1.185 0 . 1 . . . A 79 THR HG22 . 18437 1 83 . 1 1 8 8 THR HG23 H 1 1.185 0 . 1 . . . A 79 THR HG23 . 18437 1 84 . 1 1 8 8 THR CA C 13 62.272 0 . 1 . . . A 79 THR CA . 18437 1 85 . 1 1 8 8 THR CB C 13 68.766 0 . 1 . . . A 79 THR CB . 18437 1 86 . 1 1 8 8 THR N N 15 115.682 0 . 1 . . . A 79 THR N . 18437 1 87 . 1 1 9 9 SER H H 1 8.521 0.002 . 1 . . . A 80 SER H . 18437 1 88 . 1 1 9 9 SER HA H 1 4.349 0.004 . 1 . . . A 80 SER HA . 18437 1 89 . 1 1 9 9 SER HB2 H 1 3.974 0.004 . 2 . . . A 80 SER HB2 . 18437 1 90 . 1 1 9 9 SER HB3 H 1 3.974 0.004 . 2 . . . A 80 SER HB3 . 18437 1 91 . 1 1 9 9 SER CA C 13 60.346 0 . 1 . . . A 80 SER CA . 18437 1 92 . 1 1 9 9 SER CB C 13 63.372 0 . 1 . . . A 80 SER CB . 18437 1 93 . 1 1 9 9 SER N N 15 118.485 0 . 1 . . . A 80 SER N . 18437 1 94 . 1 1 10 10 GLU H H 1 8.192 0.002 . 1 . . . A 81 GLU H . 18437 1 95 . 1 1 10 10 GLU HA H 1 4.399 0 . 1 . . . A 81 GLU HA . 18437 1 96 . 1 1 10 10 GLU HB2 H 1 1.94 0 . 2 . . . A 81 GLU HB2 . 18437 1 97 . 1 1 10 10 GLU HB3 H 1 2.203 0 . 2 . . . A 81 GLU HB3 . 18437 1 98 . 1 1 10 10 GLU HG2 H 1 2.233 0 . 2 . . . A 81 GLU HG2 . 18437 1 99 . 1 1 10 10 GLU HG3 H 1 2.304 0 . 2 . . . A 81 GLU HG3 . 18437 1 100 . 1 1 10 10 GLU CA C 13 55.946 0 . 1 . . . A 81 GLU CA . 18437 1 101 . 1 1 10 10 GLU CB C 13 30.073 0 . 1 . . . A 81 GLU CB . 18437 1 102 . 1 1 10 10 GLU CG C 13 36.5 0 . 1 . . . A 81 GLU CG . 18437 1 103 . 1 1 10 10 GLU N N 15 121.082 0 . 1 . . . A 81 GLU N . 18437 1 104 . 1 1 11 11 LEU H H 1 7.804 0.005 . 1 . . . A 82 LEU H . 18437 1 105 . 1 1 11 11 LEU HA H 1 4.486 0 . 1 . . . A 82 LEU HA . 18437 1 106 . 1 1 11 11 LEU HB2 H 1 1.768 0 . 2 . . . A 82 LEU HB2 . 18437 1 107 . 1 1 11 11 LEU HB3 H 1 1.187 0 . 2 . . . A 82 LEU HB3 . 18437 1 108 . 1 1 11 11 LEU HG H 1 0.803 0 . 1 . . . A 82 LEU HG . 18437 1 109 . 1 1 11 11 LEU HD11 H 1 0.663 0 . 2 . . . A 82 LEU HD11 . 18437 1 110 . 1 1 11 11 LEU HD12 H 1 0.663 0 . 2 . . . A 82 LEU HD12 . 18437 1 111 . 1 1 11 11 LEU HD13 H 1 0.663 0 . 2 . . . A 82 LEU HD13 . 18437 1 112 . 1 1 11 11 LEU CA C 13 54.319 0 . 1 . . . A 82 LEU CA . 18437 1 113 . 1 1 11 11 LEU CB C 13 43.302 0.003 . 1 . . . A 82 LEU CB . 18437 1 114 . 1 1 11 11 LEU CG C 13 27.02 0 . 1 . . . A 82 LEU CG . 18437 1 115 . 1 1 11 11 LEU CD1 C 13 22.227 0 . 2 . . . A 82 LEU CD1 . 18437 1 116 . 1 1 11 11 LEU N N 15 120.855 0 . 1 . . . A 82 LEU N . 18437 1 117 . 1 1 12 12 VAL H H 1 9.27 0.002 . 1 . . . A 83 VAL H . 18437 1 118 . 1 1 12 12 VAL HA H 1 4.429 0 . 1 . . . A 83 VAL HA . 18437 1 119 . 1 1 12 12 VAL HB H 1 1.912 0 . 1 . . . A 83 VAL HB . 18437 1 120 . 1 1 12 12 VAL HG11 H 1 0.856 0 . 2 . . . A 83 VAL HG11 . 18437 1 121 . 1 1 12 12 VAL HG12 H 1 0.856 0 . 2 . . . A 83 VAL HG12 . 18437 1 122 . 1 1 12 12 VAL HG13 H 1 0.856 0 . 2 . . . A 83 VAL HG13 . 18437 1 123 . 1 1 12 12 VAL HG21 H 1 0.764 0 . 2 . . . A 83 VAL HG21 . 18437 1 124 . 1 1 12 12 VAL HG22 H 1 0.764 0 . 2 . . . A 83 VAL HG22 . 18437 1 125 . 1 1 12 12 VAL HG23 H 1 0.764 0 . 2 . . . A 83 VAL HG23 . 18437 1 126 . 1 1 12 12 VAL CA C 13 60.069 0 . 1 . . . A 83 VAL CA . 18437 1 127 . 1 1 12 12 VAL CB C 13 34.83 0 . 1 . . . A 83 VAL CB . 18437 1 128 . 1 1 12 12 VAL CG1 C 13 21.734 0 . 2 . . . A 83 VAL CG1 . 18437 1 129 . 1 1 12 12 VAL CG2 C 13 20.602 0 . 2 . . . A 83 VAL CG2 . 18437 1 130 . 1 1 12 12 VAL N N 15 119.7 0 . 1 . . . A 83 VAL N . 18437 1 131 . 1 1 13 13 THR H H 1 8.38 0.002 . 1 . . . A 84 THR H . 18437 1 132 . 1 1 13 13 THR HA H 1 4.838 0.002 . 1 . . . A 84 THR HA . 18437 1 133 . 1 1 13 13 THR HB H 1 3.9 0.001 . 1 . . . A 84 THR HB . 18437 1 134 . 1 1 13 13 THR HG21 H 1 1.021 0.001 . 1 . . . A 84 THR HG21 . 18437 1 135 . 1 1 13 13 THR HG22 H 1 1.021 0.001 . 1 . . . A 84 THR HG22 . 18437 1 136 . 1 1 13 13 THR HG23 H 1 1.021 0.001 . 1 . . . A 84 THR HG23 . 18437 1 137 . 1 1 13 13 THR CA C 13 62.246 0 . 1 . . . A 84 THR CA . 18437 1 138 . 1 1 13 13 THR CB C 13 68.463 0 . 1 . . . A 84 THR CB . 18437 1 139 . 1 1 13 13 THR CG2 C 13 22.653 0 . 1 . . . A 84 THR CG2 . 18437 1 140 . 1 1 13 13 THR N N 15 118.866 0 . 1 . . . A 84 THR N . 18437 1 141 . 1 1 14 14 VAL H H 1 8.678 0.008 . 1 . . . A 85 VAL H . 18437 1 142 . 1 1 14 14 VAL HA H 1 4.786 0.002 . 1 . . . A 85 VAL HA . 18437 1 143 . 1 1 14 14 VAL HB H 1 1.555 0 . 1 . . . A 85 VAL HB . 18437 1 144 . 1 1 14 14 VAL HG11 H 1 0.555 0.005 . 2 . . . A 85 VAL HG11 . 18437 1 145 . 1 1 14 14 VAL HG12 H 1 0.555 0.005 . 2 . . . A 85 VAL HG12 . 18437 1 146 . 1 1 14 14 VAL HG13 H 1 0.555 0.005 . 2 . . . A 85 VAL HG13 . 18437 1 147 . 1 1 14 14 VAL HG21 H 1 -0.367 0.005 . 2 . . . A 85 VAL HG21 . 18437 1 148 . 1 1 14 14 VAL HG22 H 1 -0.367 0.005 . 2 . . . A 85 VAL HG22 . 18437 1 149 . 1 1 14 14 VAL HG23 H 1 -0.367 0.005 . 2 . . . A 85 VAL HG23 . 18437 1 150 . 1 1 14 14 VAL CA C 13 57.719 0 . 1 . . . A 85 VAL CA . 18437 1 151 . 1 1 14 14 VAL CB C 13 35 0 . 1 . . . A 85 VAL CB . 18437 1 152 . 1 1 14 14 VAL CG1 C 13 22.853 0 . 2 . . . A 85 VAL CG1 . 18437 1 153 . 1 1 14 14 VAL CG2 C 13 18.339 0.009 . 2 . . . A 85 VAL CG2 . 18437 1 154 . 1 1 14 14 VAL N N 15 120.684 0 . 1 . . . A 85 VAL N . 18437 1 155 . 1 1 15 15 VAL H H 1 8.926 0.005 . 1 . . . A 86 VAL H . 18437 1 156 . 1 1 15 15 VAL HA H 1 4.583 0.003 . 1 . . . A 86 VAL HA . 18437 1 157 . 1 1 15 15 VAL HB H 1 1.611 0 . 1 . . . A 86 VAL HB . 18437 1 158 . 1 1 15 15 VAL HG11 H 1 0.742 0 . 2 . . . A 86 VAL HG11 . 18437 1 159 . 1 1 15 15 VAL HG12 H 1 0.742 0 . 2 . . . A 86 VAL HG12 . 18437 1 160 . 1 1 15 15 VAL HG13 H 1 0.742 0 . 2 . . . A 86 VAL HG13 . 18437 1 161 . 1 1 15 15 VAL HG21 H 1 0.757 0 . 2 . . . A 86 VAL HG21 . 18437 1 162 . 1 1 15 15 VAL HG22 H 1 0.757 0 . 2 . . . A 86 VAL HG22 . 18437 1 163 . 1 1 15 15 VAL HG23 H 1 0.757 0 . 2 . . . A 86 VAL HG23 . 18437 1 164 . 1 1 15 15 VAL CA C 13 60.546 0 . 1 . . . A 86 VAL CA . 18437 1 165 . 1 1 15 15 VAL CB C 13 34.7 0 . 1 . . . A 86 VAL CB . 18437 1 166 . 1 1 15 15 VAL CG1 C 13 20.602 0 . 2 . . . A 86 VAL CG1 . 18437 1 167 . 1 1 15 15 VAL CG2 C 13 21.055 0 . 2 . . . A 86 VAL CG2 . 18437 1 168 . 1 1 15 15 VAL N N 15 116.897 0 . 1 . . . A 86 VAL N . 18437 1 169 . 1 1 16 16 ALA H H 1 8.508 0.005 . 1 . . . A 87 ALA H . 18437 1 170 . 1 1 16 16 ALA HA H 1 4.357 0.002 . 1 . . . A 87 ALA HA . 18437 1 171 . 1 1 16 16 ALA HB1 H 1 1.72 0.002 . 1 . . . A 87 ALA HB1 . 18437 1 172 . 1 1 16 16 ALA HB2 H 1 1.72 0.002 . 1 . . . A 87 ALA HB2 . 18437 1 173 . 1 1 16 16 ALA HB3 H 1 1.72 0.002 . 1 . . . A 87 ALA HB3 . 18437 1 174 . 1 1 16 16 ALA CA C 13 53.527 0.038 . 1 . . . A 87 ALA CA . 18437 1 175 . 1 1 16 16 ALA CB C 13 19.248 0 . 1 . . . A 87 ALA CB . 18437 1 176 . 1 1 16 16 ALA N N 15 127.774 0.024 . 1 . . . A 87 ALA N . 18437 1 177 . 1 1 17 17 LEU H H 1 9.104 0.001 . 1 . . . A 88 LEU H . 18437 1 178 . 1 1 17 17 LEU HA H 1 4.565 0 . 1 . . . A 88 LEU HA . 18437 1 179 . 1 1 17 17 LEU HB2 H 1 1.612 0 . 2 . . . A 88 LEU HB2 . 18437 1 180 . 1 1 17 17 LEU HB3 H 1 1.564 0 . 2 . . . A 88 LEU HB3 . 18437 1 181 . 1 1 17 17 LEU HG H 1 1.379 0 . 1 . . . A 88 LEU HG . 18437 1 182 . 1 1 17 17 LEU HD11 H 1 0.666 0.004 . 2 . . . A 88 LEU HD11 . 18437 1 183 . 1 1 17 17 LEU HD12 H 1 0.666 0.004 . 2 . . . A 88 LEU HD12 . 18437 1 184 . 1 1 17 17 LEU HD13 H 1 0.666 0.004 . 2 . . . A 88 LEU HD13 . 18437 1 185 . 1 1 17 17 LEU HD21 H 1 0.829 0 . 2 . . . A 88 LEU HD21 . 18437 1 186 . 1 1 17 17 LEU HD22 H 1 0.829 0 . 2 . . . A 88 LEU HD22 . 18437 1 187 . 1 1 17 17 LEU HD23 H 1 0.829 0 . 2 . . . A 88 LEU HD23 . 18437 1 188 . 1 1 17 17 LEU CA C 13 55.019 0 . 1 . . . A 88 LEU CA . 18437 1 189 . 1 1 17 17 LEU CB C 13 42.7 0 . 1 . . . A 88 LEU CB . 18437 1 190 . 1 1 17 17 LEU CG C 13 27.312 0 . 1 . . . A 88 LEU CG . 18437 1 191 . 1 1 17 17 LEU CD1 C 13 25.273 0 . 2 . . . A 88 LEU CD1 . 18437 1 192 . 1 1 17 17 LEU CD2 C 13 22.328 0 . 2 . . . A 88 LEU CD2 . 18437 1 193 . 1 1 17 17 LEU N N 15 122.162 0 . 1 . . . A 88 LEU N . 18437 1 194 . 1 1 18 18 VAL H H 1 7.444 0.002 . 1 . . . A 89 VAL H . 18437 1 195 . 1 1 18 18 VAL HA H 1 4.532 0 . 1 . . . A 89 VAL HA . 18437 1 196 . 1 1 18 18 VAL HB H 1 2.324 0 . 1 . . . A 89 VAL HB . 18437 1 197 . 1 1 18 18 VAL HG11 H 1 0.964 0 . 2 . . . A 89 VAL HG11 . 18437 1 198 . 1 1 18 18 VAL HG12 H 1 0.964 0 . 2 . . . A 89 VAL HG12 . 18437 1 199 . 1 1 18 18 VAL HG13 H 1 0.964 0 . 2 . . . A 89 VAL HG13 . 18437 1 200 . 1 1 18 18 VAL HG21 H 1 0.882 0 . 2 . . . A 89 VAL HG21 . 18437 1 201 . 1 1 18 18 VAL HG22 H 1 0.882 0 . 2 . . . A 89 VAL HG22 . 18437 1 202 . 1 1 18 18 VAL HG23 H 1 0.882 0 . 2 . . . A 89 VAL HG23 . 18437 1 203 . 1 1 18 18 VAL CA C 13 58.446 0 . 1 . . . A 89 VAL CA . 18437 1 204 . 1 1 18 18 VAL CB C 13 36.3 0 . 1 . . . A 89 VAL CB . 18437 1 205 . 1 1 18 18 VAL CG1 C 13 21.7 0 . 2 . . . A 89 VAL CG1 . 18437 1 206 . 1 1 18 18 VAL CG2 C 13 18.928 0 . 2 . . . A 89 VAL CG2 . 18437 1 207 . 1 1 18 18 VAL N N 15 112.263 0 . 1 . . . A 89 VAL N . 18437 1 208 . 1 1 19 19 LYS H H 1 8.198 0 . 1 . . . A 90 LYS H . 18437 1 209 . 1 1 19 19 LYS HA H 1 4.582 0.002 . 1 . . . A 90 LYS HA . 18437 1 210 . 1 1 19 19 LYS HB2 H 1 1.788 0 . 2 . . . A 90 LYS HB2 . 18437 1 211 . 1 1 19 19 LYS HB3 H 1 1.869 0 . 2 . . . A 90 LYS HB3 . 18437 1 212 . 1 1 19 19 LYS HG2 H 1 1.368 0 . 2 . . . A 90 LYS HG2 . 18437 1 213 . 1 1 19 19 LYS HG3 H 1 1.554 0 . 2 . . . A 90 LYS HG3 . 18437 1 214 . 1 1 19 19 LYS HD2 H 1 1.792 0 . 2 . . . A 90 LYS HD2 . 18437 1 215 . 1 1 19 19 LYS HD3 H 1 1.792 0 . 2 . . . A 90 LYS HD3 . 18437 1 216 . 1 1 19 19 LYS HE2 H 1 2.967 0 . 2 . . . A 90 LYS HE2 . 18437 1 217 . 1 1 19 19 LYS HE3 H 1 2.967 0 . 2 . . . A 90 LYS HE3 . 18437 1 218 . 1 1 19 19 LYS CA C 13 56.946 0 . 1 . . . A 90 LYS CA . 18437 1 219 . 1 1 19 19 LYS CB C 13 32.573 0 . 1 . . . A 90 LYS CB . 18437 1 220 . 1 1 19 19 LYS CG C 13 25.5 0 . 1 . . . A 90 LYS CG . 18437 1 221 . 1 1 19 19 LYS CD C 13 29.647 0 . 1 . . . A 90 LYS CD . 18437 1 222 . 1 1 19 19 LYS CE C 13 41.747 0 . 1 . . . A 90 LYS CE . 18437 1 223 . 1 1 19 19 LYS N N 15 118.799 0 . 1 . . . A 90 LYS N . 18437 1 224 . 1 1 20 20 LEU H H 1 8.351 0.002 . 1 . . . A 91 LEU H . 18437 1 225 . 1 1 20 20 LEU HA H 1 4.75 0 . 1 . . . A 91 LEU HA . 18437 1 226 . 1 1 20 20 LEU HB2 H 1 1.274 0 . 2 . . . A 91 LEU HB2 . 18437 1 227 . 1 1 20 20 LEU HB3 H 1 1.32 0 . 2 . . . A 91 LEU HB3 . 18437 1 228 . 1 1 20 20 LEU HG H 1 0.835 0 . 1 . . . A 91 LEU HG . 18437 1 229 . 1 1 20 20 LEU HD11 H 1 0.747 0 . 2 . . . A 91 LEU HD11 . 18437 1 230 . 1 1 20 20 LEU HD12 H 1 0.747 0 . 2 . . . A 91 LEU HD12 . 18437 1 231 . 1 1 20 20 LEU HD13 H 1 0.747 0 . 2 . . . A 91 LEU HD13 . 18437 1 232 . 1 1 20 20 LEU HD21 H 1 0.747 0 . 2 . . . A 91 LEU HD21 . 18437 1 233 . 1 1 20 20 LEU HD22 H 1 0.747 0 . 2 . . . A 91 LEU HD22 . 18437 1 234 . 1 1 20 20 LEU HD23 H 1 0.747 0 . 2 . . . A 91 LEU HD23 . 18437 1 235 . 1 1 20 20 LEU CA C 13 54.132 0 . 1 . . . A 91 LEU CA . 18437 1 236 . 1 1 20 20 LEU CB C 13 46.4 0 . 1 . . . A 91 LEU CB . 18437 1 237 . 1 1 20 20 LEU CG C 13 26.32 0 . 1 . . . A 91 LEU CG . 18437 1 238 . 1 1 20 20 LEU CD1 C 13 25.856 0.022 . 2 . . . A 91 LEU CD1 . 18437 1 239 . 1 1 20 20 LEU N N 15 124.814 0 . 1 . . . A 91 LEU N . 18437 1 240 . 1 1 21 21 HIS H H 1 8.555 0.004 . 1 . . . A 92 HIS H . 18437 1 241 . 1 1 21 21 HIS HA H 1 5.112 0.003 . 1 . . . A 92 HIS HA . 18437 1 242 . 1 1 21 21 HIS HB2 H 1 3.041 0.016 . 2 . . . A 92 HIS HB2 . 18437 1 243 . 1 1 21 21 HIS HB3 H 1 3.194 0.009 . 2 . . . A 92 HIS HB3 . 18437 1 244 . 1 1 21 21 HIS HD2 H 1 7.005 0 . 1 . . . A 92 HIS HD2 . 18437 1 245 . 1 1 21 21 HIS CA C 13 55.553 0 . 1 . . . A 92 HIS CA . 18437 1 246 . 1 1 21 21 HIS CB C 13 30.227 0 . 1 . . . A 92 HIS CB . 18437 1 247 . 1 1 21 21 HIS N N 15 121.971 0 . 1 . . . A 92 HIS N . 18437 1 248 . 1 1 22 22 THR H H 1 8.182 0.006 . 1 . . . A 93 THR H . 18437 1 249 . 1 1 22 22 THR HA H 1 4.492 0.003 . 1 . . . A 93 THR HA . 18437 1 250 . 1 1 22 22 THR HB H 1 3.735 0 . 1 . . . A 93 THR HB . 18437 1 251 . 1 1 22 22 THR HG21 H 1 0.41 0.006 . 1 . . . A 93 THR HG21 . 18437 1 252 . 1 1 22 22 THR HG22 H 1 0.41 0.006 . 1 . . . A 93 THR HG22 . 18437 1 253 . 1 1 22 22 THR HG23 H 1 0.41 0.006 . 1 . . . A 93 THR HG23 . 18437 1 254 . 1 1 22 22 THR CA C 13 59.546 0 . 1 . . . A 93 THR CA . 18437 1 255 . 1 1 22 22 THR CB C 13 69.472 0 . 1 . . . A 93 THR CB . 18437 1 256 . 1 1 22 22 THR CG2 C 13 18.478 0.045 . 1 . . . A 93 THR CG2 . 18437 1 257 . 1 1 22 22 THR N N 15 119.332 0 . 1 . . . A 93 THR N . 18437 1 258 . 1 1 23 23 ASP H H 1 8.133 0.001 . 1 . . . A 94 ASP H . 18437 1 259 . 1 1 23 23 ASP HA H 1 4.979 0.001 . 1 . . . A 94 ASP HA . 18437 1 260 . 1 1 23 23 ASP HB2 H 1 2.611 0.003 . 2 . . . A 94 ASP HB2 . 18437 1 261 . 1 1 23 23 ASP HB3 H 1 2.766 0.003 . 2 . . . A 94 ASP HB3 . 18437 1 262 . 1 1 23 23 ASP CA C 13 53.673 0.002 . 1 . . . A 94 ASP CA . 18437 1 263 . 1 1 23 23 ASP CB C 13 41.027 0 . 1 . . . A 94 ASP CB . 18437 1 264 . 1 1 23 23 ASP N N 15 121.861 0 . 1 . . . A 94 ASP N . 18437 1 265 . 1 1 24 24 ALA H H 1 7.992 0.002 . 1 . . . A 95 ALA H . 18437 1 266 . 1 1 24 24 ALA HA H 1 5.153 0.006 . 1 . . . A 95 ALA HA . 18437 1 267 . 1 1 24 24 ALA HB1 H 1 1.508 0 . 1 . . . A 95 ALA HB1 . 18437 1 268 . 1 1 24 24 ALA HB2 H 1 1.508 0 . 1 . . . A 95 ALA HB2 . 18437 1 269 . 1 1 24 24 ALA HB3 H 1 1.508 0 . 1 . . . A 95 ALA HB3 . 18437 1 270 . 1 1 24 24 ALA CA C 13 50.916 0 . 1 . . . A 95 ALA CA . 18437 1 271 . 1 1 24 24 ALA CB C 13 24.09 0 . 1 . . . A 95 ALA CB . 18437 1 272 . 1 1 24 24 ALA N N 15 125.785 0 . 1 . . . A 95 ALA N . 18437 1 273 . 1 1 25 25 LEU H H 1 8.661 0.004 . 1 . . . A 96 LEU H . 18437 1 274 . 1 1 25 25 LEU HA H 1 5.311 0.003 . 1 . . . A 96 LEU HA . 18437 1 275 . 1 1 25 25 LEU HB2 H 1 1.632 0 . 2 . . . A 96 LEU HB2 . 18437 1 276 . 1 1 25 25 LEU HB3 H 1 1.835 0 . 2 . . . A 96 LEU HB3 . 18437 1 277 . 1 1 25 25 LEU HG H 1 1.736 0 . 1 . . . A 96 LEU HG . 18437 1 278 . 1 1 25 25 LEU HD11 H 1 0.824 0 . 2 . . . A 96 LEU HD11 . 18437 1 279 . 1 1 25 25 LEU HD12 H 1 0.824 0 . 2 . . . A 96 LEU HD12 . 18437 1 280 . 1 1 25 25 LEU HD13 H 1 0.824 0 . 2 . . . A 96 LEU HD13 . 18437 1 281 . 1 1 25 25 LEU HD21 H 1 0.796 0 . 2 . . . A 96 LEU HD21 . 18437 1 282 . 1 1 25 25 LEU HD22 H 1 0.796 0 . 2 . . . A 96 LEU HD22 . 18437 1 283 . 1 1 25 25 LEU HD23 H 1 0.796 0 . 2 . . . A 96 LEU HD23 . 18437 1 284 . 1 1 25 25 LEU CA C 13 53.416 0 . 1 . . . A 96 LEU CA . 18437 1 285 . 1 1 25 25 LEU CB C 13 46 0 . 1 . . . A 96 LEU CB . 18437 1 286 . 1 1 25 25 LEU CG C 13 27.573 0 . 1 . . . A 96 LEU CG . 18437 1 287 . 1 1 25 25 LEU CD1 C 13 25.827 0 . 2 . . . A 96 LEU CD1 . 18437 1 288 . 1 1 25 25 LEU CD2 C 13 23.788 0 . 2 . . . A 96 LEU CD2 . 18437 1 289 . 1 1 25 25 LEU N N 15 120.726 0.018 . 1 . . . A 96 LEU N . 18437 1 290 . 1 1 26 26 HIS H H 1 8.725 0.001 . 1 . . . A 97 HIS H . 18437 1 291 . 1 1 26 26 HIS HA H 1 4.269 0.003 . 1 . . . A 97 HIS HA . 18437 1 292 . 1 1 26 26 HIS HB2 H 1 3.106 0.002 . 2 . . . A 97 HIS HB2 . 18437 1 293 . 1 1 26 26 HIS HB3 H 1 3.918 0.008 . 2 . . . A 97 HIS HB3 . 18437 1 294 . 1 1 26 26 HIS HD2 H 1 7.221 0.011 . 1 . . . A 97 HIS HD2 . 18437 1 295 . 1 1 26 26 HIS HE1 H 1 7.857 0.012 . 1 . . . A 97 HIS HE1 . 18437 1 296 . 1 1 26 26 HIS CA C 13 58.316 0 . 1 . . . A 97 HIS CA . 18437 1 297 . 1 1 26 26 HIS CB C 13 30.973 0 . 1 . . . A 97 HIS CB . 18437 1 298 . 1 1 26 26 HIS N N 15 121.175 0.011 . 1 . . . A 97 HIS N . 18437 1 299 . 1 1 27 27 ALA H H 1 8.26 0.002 . 1 . . . A 98 ALA H . 18437 1 300 . 1 1 27 27 ALA HA H 1 3.759 0.001 . 1 . . . A 98 ALA HA . 18437 1 301 . 1 1 27 27 ALA HB1 H 1 1.323 0.001 . 1 . . . A 98 ALA HB1 . 18437 1 302 . 1 1 27 27 ALA HB2 H 1 1.323 0.001 . 1 . . . A 98 ALA HB2 . 18437 1 303 . 1 1 27 27 ALA HB3 H 1 1.323 0.001 . 1 . . . A 98 ALA HB3 . 18437 1 304 . 1 1 27 27 ALA CA C 13 56.672 0 . 1 . . . A 98 ALA CA . 18437 1 305 . 1 1 27 27 ALA CB C 13 19.377 0 . 1 . . . A 98 ALA CB . 18437 1 306 . 1 1 27 27 ALA N N 15 126.618 0.004 . 1 . . . A 98 ALA N . 18437 1 307 . 1 1 28 28 THR H H 1 10.304 0.01 . 1 . . . A 99 THR H . 18437 1 308 . 1 1 28 28 THR HA H 1 4.584 0.004 . 1 . . . A 99 THR HA . 18437 1 309 . 1 1 28 28 THR HB H 1 4.38 0 . 1 . . . A 99 THR HB . 18437 1 310 . 1 1 28 28 THR HG21 H 1 1.183 0.004 . 1 . . . A 99 THR HG21 . 18437 1 311 . 1 1 28 28 THR HG22 H 1 1.183 0.004 . 1 . . . A 99 THR HG22 . 18437 1 312 . 1 1 28 28 THR HG23 H 1 1.183 0.004 . 1 . . . A 99 THR HG23 . 18437 1 313 . 1 1 28 28 THR CA C 13 61.872 0 . 1 . . . A 99 THR CA . 18437 1 314 . 1 1 28 28 THR CB C 13 70.442 0 . 1 . . . A 99 THR CB . 18437 1 315 . 1 1 28 28 THR CG2 C 13 22.053 0 . 1 . . . A 99 THR CG2 . 18437 1 316 . 1 1 28 28 THR N N 15 107.369 0 . 1 . . . A 99 THR N . 18437 1 317 . 1 1 29 29 ARG H H 1 9.037 0.004 . 1 . . . A 100 ARG H . 18437 1 318 . 1 1 29 29 ARG HA H 1 4.567 0.004 . 1 . . . A 100 ARG HA . 18437 1 319 . 1 1 29 29 ARG HB2 H 1 1.59 0.004 . 2 . . . A 100 ARG HB2 . 18437 1 320 . 1 1 29 29 ARG HB3 H 1 1.219 0.003 . 2 . . . A 100 ARG HB3 . 18437 1 321 . 1 1 29 29 ARG HG2 H 1 1.331 0.003 . 2 . . . A 100 ARG HG2 . 18437 1 322 . 1 1 29 29 ARG HG3 H 1 1.331 0.003 . 2 . . . A 100 ARG HG3 . 18437 1 323 . 1 1 29 29 ARG HD2 H 1 2.799 0 . 2 . . . A 100 ARG HD2 . 18437 1 324 . 1 1 29 29 ARG HD3 H 1 2.898 0 . 2 . . . A 100 ARG HD3 . 18437 1 325 . 1 1 29 29 ARG CA C 13 55.246 0 . 1 . . . A 100 ARG CA . 18437 1 326 . 1 1 29 29 ARG CB C 13 32.673 0 . 1 . . . A 100 ARG CB . 18437 1 327 . 1 1 29 29 ARG CG C 13 27.7 0 . 1 . . . A 100 ARG CG . 18437 1 328 . 1 1 29 29 ARG CD C 13 43 0 . 1 . . . A 100 ARG CD . 18437 1 329 . 1 1 29 29 ARG N N 15 124.395 0.007 . 1 . . . A 100 ARG N . 18437 1 330 . 1 1 30 30 ASP H H 1 8.898 0.005 . 1 . . . A 101 ASP H . 18437 1 331 . 1 1 30 30 ASP HA H 1 4.733 0.003 . 1 . . . A 101 ASP HA . 18437 1 332 . 1 1 30 30 ASP HB2 H 1 2.732 0.001 . 2 . . . A 101 ASP HB2 . 18437 1 333 . 1 1 30 30 ASP HB3 H 1 2.617 0.002 . 2 . . . A 101 ASP HB3 . 18437 1 334 . 1 1 30 30 ASP CA C 13 52.916 0 . 1 . . . A 101 ASP CA . 18437 1 335 . 1 1 30 30 ASP CB C 13 38.097 0 . 1 . . . A 101 ASP CB . 18437 1 336 . 1 1 30 30 ASP N N 15 124.596 0 . 1 . . . A 101 ASP N . 18437 1 337 . 1 1 31 31 GLU H H 1 7.876 0.002 . 1 . . . A 102 GLU H . 18437 1 338 . 1 1 31 31 GLU HA H 1 4.918 0.005 . 1 . . . A 102 GLU HA . 18437 1 339 . 1 1 31 31 GLU HB2 H 1 1.807 0 . 2 . . . A 102 GLU HB2 . 18437 1 340 . 1 1 31 31 GLU HB3 H 1 1.963 0 . 2 . . . A 102 GLU HB3 . 18437 1 341 . 1 1 31 31 GLU HG2 H 1 2.14 0 . 2 . . . A 102 GLU HG2 . 18437 1 342 . 1 1 31 31 GLU HG3 H 1 2.202 0 . 2 . . . A 102 GLU HG3 . 18437 1 343 . 1 1 31 31 GLU CA C 13 52.546 0 . 1 . . . A 102 GLU CA . 18437 1 344 . 1 1 31 31 GLU CB C 13 33.062 0 . 1 . . . A 102 GLU CB . 18437 1 345 . 1 1 31 31 GLU CG C 13 35.781 0 . 1 . . . A 102 GLU CG . 18437 1 346 . 1 1 31 31 GLU N N 15 121.916 0 . 1 . . . A 102 GLU N . 18437 1 347 . 1 1 32 32 PRO HA H 1 5.099 0.004 . 1 . . . A 103 PRO HA . 18437 1 348 . 1 1 32 32 PRO HB2 H 1 1.988 0 . 2 . . . A 103 PRO HB2 . 18437 1 349 . 1 1 32 32 PRO HB3 H 1 2.47 0 . 2 . . . A 103 PRO HB3 . 18437 1 350 . 1 1 32 32 PRO HG2 H 1 2.141 0 . 2 . . . A 103 PRO HG2 . 18437 1 351 . 1 1 32 32 PRO HG3 H 1 2.022 0 . 2 . . . A 103 PRO HG3 . 18437 1 352 . 1 1 32 32 PRO HD2 H 1 3.756 0 . 2 . . . A 103 PRO HD2 . 18437 1 353 . 1 1 32 32 PRO HD3 H 1 3.857 0 . 2 . . . A 103 PRO HD3 . 18437 1 354 . 1 1 32 32 PRO CA C 13 62.689 0 . 1 . . . A 103 PRO CA . 18437 1 355 . 1 1 32 32 PRO CB C 13 33.14 0 . 1 . . . A 103 PRO CB . 18437 1 356 . 1 1 32 32 PRO CG C 13 27.373 0 . 1 . . . A 103 PRO CG . 18437 1 357 . 1 1 32 32 PRO CD C 13 50.96 0 . 1 . . . A 103 PRO CD . 18437 1 358 . 1 1 33 33 VAL H H 1 8.362 0.003 . 1 . . . A 104 VAL H . 18437 1 359 . 1 1 33 33 VAL HA H 1 4.403 0.001 . 1 . . . A 104 VAL HA . 18437 1 360 . 1 1 33 33 VAL HB H 1 1.753 0.002 . 1 . . . A 104 VAL HB . 18437 1 361 . 1 1 33 33 VAL HG11 H 1 0.804 0.001 . 2 . . . A 104 VAL HG11 . 18437 1 362 . 1 1 33 33 VAL HG12 H 1 0.804 0.001 . 2 . . . A 104 VAL HG12 . 18437 1 363 . 1 1 33 33 VAL HG13 H 1 0.804 0.001 . 2 . . . A 104 VAL HG13 . 18437 1 364 . 1 1 33 33 VAL HG21 H 1 0.819 0.001 . 2 . . . A 104 VAL HG21 . 18437 1 365 . 1 1 33 33 VAL HG22 H 1 0.819 0.001 . 2 . . . A 104 VAL HG22 . 18437 1 366 . 1 1 33 33 VAL HG23 H 1 0.819 0.001 . 2 . . . A 104 VAL HG23 . 18437 1 367 . 1 1 33 33 VAL CA C 13 61.216 0 . 1 . . . A 104 VAL CA . 18437 1 368 . 1 1 33 33 VAL CB C 13 35.543 0 . 1 . . . A 104 VAL CB . 18437 1 369 . 1 1 33 33 VAL CG1 C 13 20.828 0 . 2 . . . A 104 VAL CG1 . 18437 1 370 . 1 1 33 33 VAL CG2 C 13 21.453 0 . 2 . . . A 104 VAL CG2 . 18437 1 371 . 1 1 33 33 VAL N N 15 118.661 0 . 1 . . . A 104 VAL N . 18437 1 372 . 1 1 34 34 ALA H H 1 8.726 0.002 . 1 . . . A 105 ALA H . 18437 1 373 . 1 1 34 34 ALA HA H 1 5.17 0.006 . 1 . . . A 105 ALA HA . 18437 1 374 . 1 1 34 34 ALA HB1 H 1 1.47 0.002 . 1 . . . A 105 ALA HB1 . 18437 1 375 . 1 1 34 34 ALA HB2 H 1 1.47 0.002 . 1 . . . A 105 ALA HB2 . 18437 1 376 . 1 1 34 34 ALA HB3 H 1 1.47 0.002 . 1 . . . A 105 ALA HB3 . 18437 1 377 . 1 1 34 34 ALA CA C 13 51.622 0 . 1 . . . A 105 ALA CA . 18437 1 378 . 1 1 34 34 ALA CB C 13 21.017 0.025 . 1 . . . A 105 ALA CB . 18437 1 379 . 1 1 34 34 ALA N N 15 126.902 0.017 . 1 . . . A 105 ALA N . 18437 1 380 . 1 1 35 35 PHE H H 1 7.597 0.001 . 1 . . . A 106 PHE H . 18437 1 381 . 1 1 35 35 PHE HA H 1 5.236 0.003 . 1 . . . A 106 PHE HA . 18437 1 382 . 1 1 35 35 PHE HB2 H 1 2.938 0 . 2 . . . A 106 PHE HB2 . 18437 1 383 . 1 1 35 35 PHE HB3 H 1 2.776 0 . 2 . . . A 106 PHE HB3 . 18437 1 384 . 1 1 35 35 PHE HD1 H 1 6.743 0 . 3 . . . A 106 PHE HD1 . 18437 1 385 . 1 1 35 35 PHE HD2 H 1 6.743 0 . 3 . . . A 106 PHE HD2 . 18437 1 386 . 1 1 35 35 PHE CA C 13 56.646 0 . 1 . . . A 106 PHE CA . 18437 1 387 . 1 1 35 35 PHE CB C 13 41.3 0 . 1 . . . A 106 PHE CB . 18437 1 388 . 1 1 35 35 PHE N N 15 119.156 0.004 . 1 . . . A 106 PHE N . 18437 1 389 . 1 1 36 36 VAL H H 1 8.267 0 . 1 . . . A 107 VAL H . 18437 1 390 . 1 1 36 36 VAL HA H 1 4.219 0 . 1 . . . A 107 VAL HA . 18437 1 391 . 1 1 36 36 VAL HB H 1 1.542 0 . 1 . . . A 107 VAL HB . 18437 1 392 . 1 1 36 36 VAL HG11 H 1 0.439 0.003 . 2 . . . A 107 VAL HG11 . 18437 1 393 . 1 1 36 36 VAL HG12 H 1 0.439 0.003 . 2 . . . A 107 VAL HG12 . 18437 1 394 . 1 1 36 36 VAL HG13 H 1 0.439 0.003 . 2 . . . A 107 VAL HG13 . 18437 1 395 . 1 1 36 36 VAL HG21 H 1 0.154 0.007 . 2 . . . A 107 VAL HG21 . 18437 1 396 . 1 1 36 36 VAL HG22 H 1 0.154 0.007 . 2 . . . A 107 VAL HG22 . 18437 1 397 . 1 1 36 36 VAL HG23 H 1 0.154 0.007 . 2 . . . A 107 VAL HG23 . 18437 1 398 . 1 1 36 36 VAL CA C 13 59.546 0 . 1 . . . A 107 VAL CA . 18437 1 399 . 1 1 36 36 VAL CB C 13 35.2 0 . 1 . . . A 107 VAL CB . 18437 1 400 . 1 1 36 36 VAL CG1 C 13 22.453 0 . 2 . . . A 107 VAL CG1 . 18437 1 401 . 1 1 36 36 VAL CG2 C 13 19.377 0 . 2 . . . A 107 VAL CG2 . 18437 1 402 . 1 1 36 36 VAL N N 15 120.344 0 . 1 . . . A 107 VAL N . 18437 1 403 . 1 1 37 37 LEU H H 1 7.737 0 . 1 . . . A 108 LEU H . 18437 1 404 . 1 1 37 37 LEU HA H 1 4.429 0.002 . 1 . . . A 108 LEU HA . 18437 1 405 . 1 1 37 37 LEU HB2 H 1 1.491 0 . 2 . . . A 108 LEU HB2 . 18437 1 406 . 1 1 37 37 LEU HB3 H 1 1.491 0 . 2 . . . A 108 LEU HB3 . 18437 1 407 . 1 1 37 37 LEU HG H 1 1.707 0 . 1 . . . A 108 LEU HG . 18437 1 408 . 1 1 37 37 LEU HD11 H 1 0.974 0 . 2 . . . A 108 LEU HD11 . 18437 1 409 . 1 1 37 37 LEU HD12 H 1 0.974 0 . 2 . . . A 108 LEU HD12 . 18437 1 410 . 1 1 37 37 LEU HD13 H 1 0.974 0 . 2 . . . A 108 LEU HD13 . 18437 1 411 . 1 1 37 37 LEU HD21 H 1 0.979 0 . 2 . . . A 108 LEU HD21 . 18437 1 412 . 1 1 37 37 LEU HD22 H 1 0.979 0 . 2 . . . A 108 LEU HD22 . 18437 1 413 . 1 1 37 37 LEU HD23 H 1 0.979 0 . 2 . . . A 108 LEU HD23 . 18437 1 414 . 1 1 37 37 LEU CA C 13 51.866 0 . 1 . . . A 108 LEU CA . 18437 1 415 . 1 1 37 37 LEU CB C 13 41.1 0 . 1 . . . A 108 LEU CB . 18437 1 416 . 1 1 37 37 LEU CG C 13 27.163 0 . 1 . . . A 108 LEU CG . 18437 1 417 . 1 1 37 37 LEU CD1 C 13 22.99 0 . 2 . . . A 108 LEU CD1 . 18437 1 418 . 1 1 37 37 LEU CD2 C 13 25.227 0 . 2 . . . A 108 LEU CD2 . 18437 1 419 . 1 1 37 37 LEU N N 15 121.82 0 . 1 . . . A 108 LEU N . 18437 1 420 . 1 1 38 38 PRO HA H 1 3.711 0 . 1 . . . A 109 PRO HA . 18437 1 421 . 1 1 38 38 PRO HB2 H 1 1.81 0 . 2 . . . A 109 PRO HB2 . 18437 1 422 . 1 1 38 38 PRO HB3 H 1 1.859 0 . 2 . . . A 109 PRO HB3 . 18437 1 423 . 1 1 38 38 PRO HG2 H 1 1.578 0 . 2 . . . A 109 PRO HG2 . 18437 1 424 . 1 1 38 38 PRO HG3 H 1 2.195 0 . 2 . . . A 109 PRO HG3 . 18437 1 425 . 1 1 38 38 PRO HD2 H 1 3.641 0 . 2 . . . A 109 PRO HD2 . 18437 1 426 . 1 1 38 38 PRO HD3 H 1 3.33 0 . 2 . . . A 109 PRO HD3 . 18437 1 427 . 1 1 38 38 PRO CA C 13 63.672 0 . 1 . . . A 109 PRO CA . 18437 1 428 . 1 1 38 38 PRO CB C 13 31.073 0 . 1 . . . A 109 PRO CB . 18437 1 429 . 1 1 38 38 PRO CG C 13 27.973 0 . 1 . . . A 109 PRO CG . 18437 1 430 . 1 1 38 38 PRO CD C 13 50.146 0 . 1 . . . A 109 PRO CD . 18437 1 431 . 1 1 39 39 GLY H H 1 9.026 0 . 1 . . . A 110 GLY H . 18437 1 432 . 1 1 39 39 GLY HA2 H 1 3.49 0 . 2 . . . A 110 GLY HA2 . 18437 1 433 . 1 1 39 39 GLY HA3 H 1 4.425 0 . 2 . . . A 110 GLY HA3 . 18437 1 434 . 1 1 39 39 GLY CA C 13 44.843 0 . 1 . . . A 110 GLY CA . 18437 1 435 . 1 1 39 39 GLY N N 15 112.032 0 . 1 . . . A 110 GLY N . 18437 1 436 . 1 1 40 40 THR H H 1 8.039 0.002 . 1 . . . A 111 THR H . 18437 1 437 . 1 1 40 40 THR HA H 1 4.33 0.002 . 1 . . . A 111 THR HA . 18437 1 438 . 1 1 40 40 THR HB H 1 4.313 0.001 . 1 . . . A 111 THR HB . 18437 1 439 . 1 1 40 40 THR HG21 H 1 1.438 0.001 . 1 . . . A 111 THR HG21 . 18437 1 440 . 1 1 40 40 THR HG22 H 1 1.438 0.001 . 1 . . . A 111 THR HG22 . 18437 1 441 . 1 1 40 40 THR HG23 H 1 1.438 0.001 . 1 . . . A 111 THR HG23 . 18437 1 442 . 1 1 40 40 THR CA C 13 63.346 0 . 1 . . . A 111 THR CA . 18437 1 443 . 1 1 40 40 THR CB C 13 69.512 0.018 . 1 . . . A 111 THR CB . 18437 1 444 . 1 1 40 40 THR CG2 C 13 21.504 0.056 . 1 . . . A 111 THR CG2 . 18437 1 445 . 1 1 40 40 THR N N 15 119.141 0 . 1 . . . A 111 THR N . 18437 1 446 . 1 1 41 41 ALA H H 1 8.9 0.001 . 1 . . . A 112 ALA H . 18437 1 447 . 1 1 41 41 ALA HA H 1 5.707 0.01 . 1 . . . A 112 ALA HA . 18437 1 448 . 1 1 41 41 ALA HB1 H 1 1.243 0.001 . 1 . . . A 112 ALA HB1 . 18437 1 449 . 1 1 41 41 ALA HB2 H 1 1.243 0.001 . 1 . . . A 112 ALA HB2 . 18437 1 450 . 1 1 41 41 ALA HB3 H 1 1.243 0.001 . 1 . . . A 112 ALA HB3 . 18437 1 451 . 1 1 41 41 ALA CA C 13 50.312 0 . 1 . . . A 112 ALA CA . 18437 1 452 . 1 1 41 41 ALA CB C 13 19.922 0 . 1 . . . A 112 ALA CB . 18437 1 453 . 1 1 41 41 ALA N N 15 131.125 0.008 . 1 . . . A 112 ALA N . 18437 1 454 . 1 1 42 42 PHE H H 1 9.22 0.001 . 1 . . . A 113 PHE H . 18437 1 455 . 1 1 42 42 PHE HA H 1 4.658 0.001 . 1 . . . A 113 PHE HA . 18437 1 456 . 1 1 42 42 PHE HB2 H 1 2.944 0 . 2 . . . A 113 PHE HB2 . 18437 1 457 . 1 1 42 42 PHE HB3 H 1 3.165 0 . 2 . . . A 113 PHE HB3 . 18437 1 458 . 1 1 42 42 PHE HD1 H 1 6.982 0.007 . 3 . . . A 113 PHE HD1 . 18437 1 459 . 1 1 42 42 PHE HD2 H 1 6.982 0.007 . 3 . . . A 113 PHE HD2 . 18437 1 460 . 1 1 42 42 PHE HE1 H 1 6.855 0.008 . 3 . . . A 113 PHE HE1 . 18437 1 461 . 1 1 42 42 PHE HE2 H 1 6.855 0.008 . 3 . . . A 113 PHE HE2 . 18437 1 462 . 1 1 42 42 PHE CA C 13 56.672 0 . 1 . . . A 113 PHE CA . 18437 1 463 . 1 1 42 42 PHE CB C 13 38.393 0 . 1 . . . A 113 PHE CB . 18437 1 464 . 1 1 42 42 PHE N N 15 116.476 0.02 . 1 . . . A 113 PHE N . 18437 1 465 . 1 1 43 43 ARG H H 1 9.145 0.001 . 1 . . . A 114 ARG H . 18437 1 466 . 1 1 43 43 ARG HA H 1 5.64 0.005 . 1 . . . A 114 ARG HA . 18437 1 467 . 1 1 43 43 ARG HB2 H 1 1.818 0.001 . 2 . . . A 114 ARG HB2 . 18437 1 468 . 1 1 43 43 ARG HB3 H 1 1.402 0.001 . 2 . . . A 114 ARG HB3 . 18437 1 469 . 1 1 43 43 ARG HG2 H 1 1.38 0 . 2 . . . A 114 ARG HG2 . 18437 1 470 . 1 1 43 43 ARG HG3 H 1 1.824 0 . 2 . . . A 114 ARG HG3 . 18437 1 471 . 1 1 43 43 ARG HD2 H 1 2.922 0.003 . 2 . . . A 114 ARG HD2 . 18437 1 472 . 1 1 43 43 ARG HD3 H 1 3.19 0.001 . 2 . . . A 114 ARG HD3 . 18437 1 473 . 1 1 43 43 ARG HE H 1 7.188 0.001 . 1 . . . A 114 ARG HE . 18437 1 474 . 1 1 43 43 ARG CA C 13 55.07 0 . 1 . . . A 114 ARG CA . 18437 1 475 . 1 1 43 43 ARG CB C 13 34.9 0 . 1 . . . A 114 ARG CB . 18437 1 476 . 1 1 43 43 ARG CG C 13 28.073 0 . 1 . . . A 114 ARG CG . 18437 1 477 . 1 1 43 43 ARG CD C 13 43.8 0 . 1 . . . A 114 ARG CD . 18437 1 478 . 1 1 43 43 ARG N N 15 117.116 0 . 1 . . . A 114 ARG N . 18437 1 479 . 1 1 43 43 ARG NE N 15 111.505 0 . 1 . . . A 114 ARG NE . 18437 1 480 . 1 1 44 44 VAL H H 1 8.441 0.002 . 1 . . . A 115 VAL H . 18437 1 481 . 1 1 44 44 VAL HA H 1 4.853 0 . 1 . . . A 115 VAL HA . 18437 1 482 . 1 1 44 44 VAL HB H 1 2.356 0 . 1 . . . A 115 VAL HB . 18437 1 483 . 1 1 44 44 VAL HG11 H 1 1.144 0.001 . 2 . . . A 115 VAL HG11 . 18437 1 484 . 1 1 44 44 VAL HG12 H 1 1.144 0.001 . 2 . . . A 115 VAL HG12 . 18437 1 485 . 1 1 44 44 VAL HG13 H 1 1.144 0.001 . 2 . . . A 115 VAL HG13 . 18437 1 486 . 1 1 44 44 VAL HG21 H 1 0.748 0.001 . 2 . . . A 115 VAL HG21 . 18437 1 487 . 1 1 44 44 VAL HG22 H 1 0.748 0.001 . 2 . . . A 115 VAL HG22 . 18437 1 488 . 1 1 44 44 VAL HG23 H 1 0.748 0.001 . 2 . . . A 115 VAL HG23 . 18437 1 489 . 1 1 44 44 VAL CA C 13 58.772 0 . 1 . . . A 115 VAL CA . 18437 1 490 . 1 1 44 44 VAL CB C 13 37.5 0 . 1 . . . A 115 VAL CB . 18437 1 491 . 1 1 44 44 VAL CG1 C 13 23.753 0 . 2 . . . A 115 VAL CG1 . 18437 1 492 . 1 1 44 44 VAL CG2 C 13 18.237 0.029 . 2 . . . A 115 VAL CG2 . 18437 1 493 . 1 1 44 44 VAL N N 15 113.755 0 . 1 . . . A 115 VAL N . 18437 1 494 . 1 1 45 45 SER H H 1 8.723 0.004 . 1 . . . A 116 SER H . 18437 1 495 . 1 1 45 45 SER HA H 1 4.53 0 . 1 . . . A 116 SER HA . 18437 1 496 . 1 1 45 45 SER HB2 H 1 4.318 0 . 2 . . . A 116 SER HB2 . 18437 1 497 . 1 1 45 45 SER HB3 H 1 4.046 0 . 2 . . . A 116 SER HB3 . 18437 1 498 . 1 1 45 45 SER CA C 13 58.168 0.148 . 1 . . . A 116 SER CA . 18437 1 499 . 1 1 45 45 SER CB C 13 64.399 0 . 1 . . . A 116 SER CB . 18437 1 500 . 1 1 45 45 SER N N 15 115.947 0 . 1 . . . A 116 SER N . 18437 1 501 . 1 1 46 46 ALA H H 1 9.143 0.002 . 1 . . . A 117 ALA H . 18437 1 502 . 1 1 46 46 ALA HA H 1 3.98 0.001 . 1 . . . A 117 ALA HA . 18437 1 503 . 1 1 46 46 ALA HB1 H 1 1.482 0.011 . 1 . . . A 117 ALA HB1 . 18437 1 504 . 1 1 46 46 ALA HB2 H 1 1.482 0.011 . 1 . . . A 117 ALA HB2 . 18437 1 505 . 1 1 46 46 ALA HB3 H 1 1.482 0.011 . 1 . . . A 117 ALA HB3 . 18437 1 506 . 1 1 46 46 ALA CA C 13 55.772 0 . 1 . . . A 117 ALA CA . 18437 1 507 . 1 1 46 46 ALA CB C 13 18.11 0 . 1 . . . A 117 ALA CB . 18437 1 508 . 1 1 46 46 ALA N N 15 123.625 0 . 1 . . . A 117 ALA N . 18437 1 509 . 1 1 47 47 GLY H H 1 8.937 0.003 . 1 . . . A 118 GLY H . 18437 1 510 . 1 1 47 47 GLY HA2 H 1 3.929 0 . 2 . . . A 118 GLY HA2 . 18437 1 511 . 1 1 47 47 GLY HA3 H 1 3.874 0 . 2 . . . A 118 GLY HA3 . 18437 1 512 . 1 1 47 47 GLY CA C 13 46.9 0 . 1 . . . A 118 GLY CA . 18437 1 513 . 1 1 47 47 GLY N N 15 106.332 0.02 . 1 . . . A 118 GLY N . 18437 1 514 . 1 1 48 48 VAL H H 1 7.376 0.003 . 1 . . . A 119 VAL H . 18437 1 515 . 1 1 48 48 VAL HA H 1 3.843 0 . 1 . . . A 119 VAL HA . 18437 1 516 . 1 1 48 48 VAL HB H 1 2.183 0 . 1 . . . A 119 VAL HB . 18437 1 517 . 1 1 48 48 VAL HG11 H 1 1.063 0 . 2 . . . A 119 VAL HG11 . 18437 1 518 . 1 1 48 48 VAL HG12 H 1 1.063 0 . 2 . . . A 119 VAL HG12 . 18437 1 519 . 1 1 48 48 VAL HG13 H 1 1.063 0 . 2 . . . A 119 VAL HG13 . 18437 1 520 . 1 1 48 48 VAL HG21 H 1 1.093 0 . 2 . . . A 119 VAL HG21 . 18437 1 521 . 1 1 48 48 VAL HG22 H 1 1.093 0 . 2 . . . A 119 VAL HG22 . 18437 1 522 . 1 1 48 48 VAL HG23 H 1 1.093 0 . 2 . . . A 119 VAL HG23 . 18437 1 523 . 1 1 48 48 VAL CA C 13 65.816 0 . 1 . . . A 119 VAL CA . 18437 1 524 . 1 1 48 48 VAL CB C 13 31.967 0 . 1 . . . A 119 VAL CB . 18437 1 525 . 1 1 48 48 VAL CG1 C 13 23.007 0.005 . 2 . . . A 119 VAL CG1 . 18437 1 526 . 1 1 48 48 VAL CG2 C 13 21.055 0 . 2 . . . A 119 VAL CG2 . 18437 1 527 . 1 1 48 48 VAL N N 15 124.965 0 . 1 . . . A 119 VAL N . 18437 1 528 . 1 1 49 49 ALA H H 1 8.805 0.001 . 1 . . . A 120 ALA H . 18437 1 529 . 1 1 49 49 ALA HA H 1 3.672 0.003 . 1 . . . A 120 ALA HA . 18437 1 530 . 1 1 49 49 ALA HB1 H 1 1.236 0.005 . 1 . . . A 120 ALA HB1 . 18437 1 531 . 1 1 49 49 ALA HB2 H 1 1.236 0.005 . 1 . . . A 120 ALA HB2 . 18437 1 532 . 1 1 49 49 ALA HB3 H 1 1.236 0.005 . 1 . . . A 120 ALA HB3 . 18437 1 533 . 1 1 49 49 ALA CA C 13 55.472 0 . 1 . . . A 120 ALA CA . 18437 1 534 . 1 1 49 49 ALA CB C 13 18.454 0 . 1 . . . A 120 ALA CB . 18437 1 535 . 1 1 49 49 ALA N N 15 122.605 0.017 . 1 . . . A 120 ALA N . 18437 1 536 . 1 1 50 50 ALA H H 1 7.976 0.002 . 1 . . . A 121 ALA H . 18437 1 537 . 1 1 50 50 ALA HA H 1 4.088 0 . 1 . . . A 121 ALA HA . 18437 1 538 . 1 1 50 50 ALA HB1 H 1 1.537 0 . 1 . . . A 121 ALA HB1 . 18437 1 539 . 1 1 50 50 ALA HB2 H 1 1.537 0 . 1 . . . A 121 ALA HB2 . 18437 1 540 . 1 1 50 50 ALA HB3 H 1 1.537 0 . 1 . . . A 121 ALA HB3 . 18437 1 541 . 1 1 50 50 ALA CA C 13 54.946 0 . 1 . . . A 121 ALA CA . 18437 1 542 . 1 1 50 50 ALA CB C 13 17.678 0 . 1 . . . A 121 ALA CB . 18437 1 543 . 1 1 50 50 ALA N N 15 119.852 0 . 1 . . . A 121 ALA N . 18437 1 544 . 1 1 51 51 GLU H H 1 7.369 0.004 . 1 . . . A 122 GLU H . 18437 1 545 . 1 1 51 51 GLU HA H 1 4.146 0.001 . 1 . . . A 122 GLU HA . 18437 1 546 . 1 1 51 51 GLU HB2 H 1 2.245 0 . 2 . . . A 122 GLU HB2 . 18437 1 547 . 1 1 51 51 GLU HB3 H 1 2.153 0 . 2 . . . A 122 GLU HB3 . 18437 1 548 . 1 1 51 51 GLU HG2 H 1 2.396 0 . 2 . . . A 122 GLU HG2 . 18437 1 549 . 1 1 51 51 GLU HG3 H 1 2.396 0 . 2 . . . A 122 GLU HG3 . 18437 1 550 . 1 1 51 51 GLU CA C 13 59.272 0 . 1 . . . A 122 GLU CA . 18437 1 551 . 1 1 51 51 GLU CB C 13 29.7 0 . 1 . . . A 122 GLU CB . 18437 1 552 . 1 1 51 51 GLU CG C 13 36.2 0 . 1 . . . A 122 GLU CG . 18437 1 553 . 1 1 51 51 GLU N N 15 118.977 0 . 1 . . . A 122 GLU N . 18437 1 554 . 1 1 52 52 MET H H 1 8.794 0.003 . 1 . . . A 123 MET H . 18437 1 555 . 1 1 52 52 MET HA H 1 3.941 0 . 1 . . . A 123 MET HA . 18437 1 556 . 1 1 52 52 MET HB2 H 1 2.047 0 . 2 . . . A 123 MET HB2 . 18437 1 557 . 1 1 52 52 MET HB3 H 1 1.892 0 . 2 . . . A 123 MET HB3 . 18437 1 558 . 1 1 52 52 MET HG2 H 1 3.043 0 . 2 . . . A 123 MET HG2 . 18437 1 559 . 1 1 52 52 MET HG3 H 1 2.351 0 . 2 . . . A 123 MET HG3 . 18437 1 560 . 1 1 52 52 MET HE1 H 1 2.102 0.003 . 1 . . . A 123 MET HE1 . 18437 1 561 . 1 1 52 52 MET HE2 H 1 2.102 0.003 . 1 . . . A 123 MET HE2 . 18437 1 562 . 1 1 52 52 MET HE3 H 1 2.102 0.003 . 1 . . . A 123 MET HE3 . 18437 1 563 . 1 1 52 52 MET CA C 13 60.416 0 . 1 . . . A 123 MET CA . 18437 1 564 . 1 1 52 52 MET CB C 13 33.973 0 . 1 . . . A 123 MET CB . 18437 1 565 . 1 1 52 52 MET CG C 13 33.973 0 . 1 . . . A 123 MET CG . 18437 1 566 . 1 1 52 52 MET CE C 13 18.938 0.003 . 1 . . . A 123 MET CE . 18437 1 567 . 1 1 52 52 MET N N 15 116.735 0 . 1 . . . A 123 MET N . 18437 1 568 . 1 1 53 53 THR H H 1 8.622 0.002 . 1 . . . A 124 THR H . 18437 1 569 . 1 1 53 53 THR HA H 1 4.605 0.001 . 1 . . . A 124 THR HA . 18437 1 570 . 1 1 53 53 THR HB H 1 4.294 0 . 1 . . . A 124 THR HB . 18437 1 571 . 1 1 53 53 THR HG21 H 1 1.219 0 . 1 . . . A 124 THR HG21 . 18437 1 572 . 1 1 53 53 THR HG22 H 1 1.219 0 . 1 . . . A 124 THR HG22 . 18437 1 573 . 1 1 53 53 THR HG23 H 1 1.219 0 . 1 . . . A 124 THR HG23 . 18437 1 574 . 1 1 53 53 THR CA C 13 64.742 0 . 1 . . . A 124 THR CA . 18437 1 575 . 1 1 53 53 THR CB C 13 68.392 0 . 1 . . . A 124 THR CB . 18437 1 576 . 1 1 53 53 THR CG2 C 13 21.114 0.013 . 1 . . . A 124 THR CG2 . 18437 1 577 . 1 1 53 53 THR N N 15 112.866 0 . 1 . . . A 124 THR N . 18437 1 578 . 1 1 54 54 GLU H H 1 8.054 0.002 . 1 . . . A 125 GLU H . 18437 1 579 . 1 1 54 54 GLU HA H 1 4.143 0.004 . 1 . . . A 125 GLU HA . 18437 1 580 . 1 1 54 54 GLU HB2 H 1 2.4 0 . 2 . . . A 125 GLU HB2 . 18437 1 581 . 1 1 54 54 GLU HB3 H 1 2.4 0 . 2 . . . A 125 GLU HB3 . 18437 1 582 . 1 1 54 54 GLU CA C 13 59.639 0 . 1 . . . A 125 GLU CA . 18437 1 583 . 1 1 54 54 GLU N N 15 125.722 0 . 1 . . . A 125 GLU N . 18437 1 584 . 1 1 55 55 ARG H H 1 7.703 0.001 . 1 . . . A 126 ARG H . 18437 1 585 . 1 1 55 55 ARG HA H 1 4.373 0.003 . 1 . . . A 126 ARG HA . 18437 1 586 . 1 1 55 55 ARG HB2 H 1 1.723 0.003 . 2 . . . A 126 ARG HB2 . 18437 1 587 . 1 1 55 55 ARG HB3 H 1 2.168 0.004 . 2 . . . A 126 ARG HB3 . 18437 1 588 . 1 1 55 55 ARG HG2 H 1 2.011 0.003 . 2 . . . A 126 ARG HG2 . 18437 1 589 . 1 1 55 55 ARG HG3 H 1 1.799 0.004 . 2 . . . A 126 ARG HG3 . 18437 1 590 . 1 1 55 55 ARG HD2 H 1 3.189 0 . 2 . . . A 126 ARG HD2 . 18437 1 591 . 1 1 55 55 ARG HD3 H 1 3.189 0 . 2 . . . A 126 ARG HD3 . 18437 1 592 . 1 1 55 55 ARG CA C 13 56.472 0 . 1 . . . A 126 ARG CA . 18437 1 593 . 1 1 55 55 ARG CB C 13 31.8 0 . 1 . . . A 126 ARG CB . 18437 1 594 . 1 1 55 55 ARG CG C 13 27.773 0 . 1 . . . A 126 ARG CG . 18437 1 595 . 1 1 55 55 ARG CD C 13 43.9 0 . 1 . . . A 126 ARG CD . 18437 1 596 . 1 1 55 55 ARG N N 15 114.393 0.01 . 1 . . . A 126 ARG N . 18437 1 597 . 1 1 56 56 GLY H H 1 7.759 0.002 . 1 . . . A 127 GLY H . 18437 1 598 . 1 1 56 56 GLY HA2 H 1 3.893 0.003 . 2 . . . A 127 GLY HA2 . 18437 1 599 . 1 1 56 56 GLY HA3 H 1 4.091 0.005 . 2 . . . A 127 GLY HA3 . 18437 1 600 . 1 1 56 56 GLY CA C 13 46.2 0 . 1 . . . A 127 GLY CA . 18437 1 601 . 1 1 56 56 GLY N N 15 107.07 0 . 1 . . . A 127 GLY N . 18437 1 602 . 1 1 57 57 LEU H H 1 8.293 0.002 . 1 . . . A 128 LEU H . 18437 1 603 . 1 1 57 57 LEU HA H 1 4.371 0.003 . 1 . . . A 128 LEU HA . 18437 1 604 . 1 1 57 57 LEU HB2 H 1 1.703 0 . 2 . . . A 128 LEU HB2 . 18437 1 605 . 1 1 57 57 LEU HB3 H 1 1.601 0.001 . 2 . . . A 128 LEU HB3 . 18437 1 606 . 1 1 57 57 LEU HG H 1 1.584 0.001 . 1 . . . A 128 LEU HG . 18437 1 607 . 1 1 57 57 LEU HD11 H 1 0.954 0.001 . 2 . . . A 128 LEU HD11 . 18437 1 608 . 1 1 57 57 LEU HD12 H 1 0.954 0.001 . 2 . . . A 128 LEU HD12 . 18437 1 609 . 1 1 57 57 LEU HD13 H 1 0.954 0.001 . 2 . . . A 128 LEU HD13 . 18437 1 610 . 1 1 57 57 LEU HD21 H 1 0.818 0.01 . 2 . . . A 128 LEU HD21 . 18437 1 611 . 1 1 57 57 LEU HD22 H 1 0.818 0.01 . 2 . . . A 128 LEU HD22 . 18437 1 612 . 1 1 57 57 LEU HD23 H 1 0.818 0.01 . 2 . . . A 128 LEU HD23 . 18437 1 613 . 1 1 57 57 LEU CA C 13 55.572 0 . 1 . . . A 128 LEU CA . 18437 1 614 . 1 1 57 57 LEU CB C 13 42.427 0 . 1 . . . A 128 LEU CB . 18437 1 615 . 1 1 57 57 LEU CG C 13 27.253 0 . 1 . . . A 128 LEU CG . 18437 1 616 . 1 1 57 57 LEU CD1 C 13 25.548 0 . 2 . . . A 128 LEU CD1 . 18437 1 617 . 1 1 57 57 LEU CD2 C 13 22.227 0 . 2 . . . A 128 LEU CD2 . 18437 1 618 . 1 1 57 57 LEU N N 15 116.338 0 . 1 . . . A 128 LEU N . 18437 1 619 . 1 1 58 58 ALA H H 1 7.351 0.004 . 1 . . . A 129 ALA H . 18437 1 620 . 1 1 58 58 ALA HA H 1 5.13 0.004 . 1 . . . A 129 ALA HA . 18437 1 621 . 1 1 58 58 ALA HB1 H 1 1.077 0.002 . 1 . . . A 129 ALA HB1 . 18437 1 622 . 1 1 58 58 ALA HB2 H 1 1.077 0.002 . 1 . . . A 129 ALA HB2 . 18437 1 623 . 1 1 58 58 ALA HB3 H 1 1.077 0.002 . 1 . . . A 129 ALA HB3 . 18437 1 624 . 1 1 58 58 ALA CA C 13 50.142 0 . 1 . . . A 129 ALA CA . 18437 1 625 . 1 1 58 58 ALA CB C 13 23.308 0.022 . 1 . . . A 129 ALA CB . 18437 1 626 . 1 1 58 58 ALA N N 15 116.379 0 . 1 . . . A 129 ALA N . 18437 1 627 . 1 1 59 59 ARG H H 1 8.771 0.004 . 1 . . . A 130 ARG H . 18437 1 628 . 1 1 59 59 ARG HA H 1 4.922 0.005 . 1 . . . A 130 ARG HA . 18437 1 629 . 1 1 59 59 ARG HB2 H 1 1.841 0 . 2 . . . A 130 ARG HB2 . 18437 1 630 . 1 1 59 59 ARG HB3 H 1 1.757 0 . 2 . . . A 130 ARG HB3 . 18437 1 631 . 1 1 59 59 ARG HG2 H 1 1.479 0 . 2 . . . A 130 ARG HG2 . 18437 1 632 . 1 1 59 59 ARG HG3 H 1 1.479 0 . 2 . . . A 130 ARG HG3 . 18437 1 633 . 1 1 59 59 ARG HD2 H 1 3.169 0 . 2 . . . A 130 ARG HD2 . 18437 1 634 . 1 1 59 59 ARG HD3 H 1 3.169 0 . 2 . . . A 130 ARG HD3 . 18437 1 635 . 1 1 59 59 ARG CA C 13 53.189 0 . 1 . . . A 130 ARG CA . 18437 1 636 . 1 1 59 59 ARG CB C 13 33.453 0 . 1 . . . A 130 ARG CB . 18437 1 637 . 1 1 59 59 ARG CG C 13 26.5 0 . 1 . . . A 130 ARG CG . 18437 1 638 . 1 1 59 59 ARG CD C 13 43.347 0 . 1 . . . A 130 ARG CD . 18437 1 639 . 1 1 59 59 ARG N N 15 115.969 0 . 1 . . . A 130 ARG N . 18437 1 640 . 1 1 60 60 MET H H 1 8.91 0.003 . 1 . . . A 131 MET H . 18437 1 641 . 1 1 60 60 MET HA H 1 4.415 0.009 . 1 . . . A 131 MET HA . 18437 1 642 . 1 1 60 60 MET HB2 H 1 1.975 0 . 2 . . . A 131 MET HB2 . 18437 1 643 . 1 1 60 60 MET HB3 H 1 2.154 0 . 2 . . . A 131 MET HB3 . 18437 1 644 . 1 1 60 60 MET HG2 H 1 2.596 0 . 2 . . . A 131 MET HG2 . 18437 1 645 . 1 1 60 60 MET HG3 H 1 2.737 0 . 2 . . . A 131 MET HG3 . 18437 1 646 . 1 1 60 60 MET HE1 H 1 2.042 0.005 . 1 . . . A 131 MET HE1 . 18437 1 647 . 1 1 60 60 MET HE2 H 1 2.042 0.005 . 1 . . . A 131 MET HE2 . 18437 1 648 . 1 1 60 60 MET HE3 H 1 2.042 0.005 . 1 . . . A 131 MET HE3 . 18437 1 649 . 1 1 60 60 MET CA C 13 55.677 0.037 . 1 . . . A 131 MET CA . 18437 1 650 . 1 1 60 60 MET CB C 13 31.527 0 . 1 . . . A 131 MET CB . 18437 1 651 . 1 1 60 60 MET CG C 13 32.306 0 . 1 . . . A 131 MET CG . 18437 1 652 . 1 1 60 60 MET CE C 13 16.51 0 . 1 . . . A 131 MET CE . 18437 1 653 . 1 1 60 60 MET N N 15 120.973 0 . 1 . . . A 131 MET N . 18437 1 654 . 1 1 61 61 GLN H H 1 7.93 0.002 . 1 . . . A 132 GLN H . 18437 1 655 . 1 1 61 61 GLN HA H 1 3.87 0 . 1 . . . A 132 GLN HA . 18437 1 656 . 1 1 61 61 GLN HB2 H 1 1.535 0 . 2 . . . A 132 GLN HB2 . 18437 1 657 . 1 1 61 61 GLN HB3 H 1 1.826 0 . 2 . . . A 132 GLN HB3 . 18437 1 658 . 1 1 61 61 GLN HG2 H 1 2.142 0 . 2 . . . A 132 GLN HG2 . 18437 1 659 . 1 1 61 61 GLN HG3 H 1 2.229 0 . 2 . . . A 132 GLN HG3 . 18437 1 660 . 1 1 61 61 GLN HE21 H 1 7.51 0.001 . 2 . . . A 132 GLN HE21 . 18437 1 661 . 1 1 61 61 GLN HE22 H 1 6.832 0.001 . 2 . . . A 132 GLN HE22 . 18437 1 662 . 1 1 61 61 GLN CA C 13 58.946 0 . 1 . . . A 132 GLN CA . 18437 1 663 . 1 1 61 61 GLN CB C 13 30.4 0 . 1 . . . A 132 GLN CB . 18437 1 664 . 1 1 61 61 GLN CG C 13 35.158 0 . 1 . . . A 132 GLN CG . 18437 1 665 . 1 1 61 61 GLN N N 15 128.114 0 . 1 . . . A 132 GLN N . 18437 1 666 . 1 1 61 61 GLN NE2 N 15 111.295 0 . 1 . . . A 132 GLN NE2 . 18437 1 stop_ save_