################################### # 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 16895 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _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 6 '3D 1H-15N NOESY' . . . 16895 1 8 '3D 1H-13C NOESY' . . . 16895 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 GLY C C 13 174.079 0.400 . 1 . . . . -7 GLY C . 16895 1 2 . 1 1 1 1 GLY CA C 13 45.209 0.400 . 1 . . . . -7 GLY CA . 16895 1 3 . 1 1 2 2 SER H H 1 8.161 0.020 . 1 . . . . -6 SER H . 16895 1 4 . 1 1 2 2 SER HA H 1 4.366 0.020 . 1 . . . . -6 SER HA . 16895 1 5 . 1 1 2 2 SER HB2 H 1 3.762 0.020 . 2 . . . . -6 SER HB2 . 16895 1 6 . 1 1 2 2 SER HB3 H 1 3.762 0.020 . 2 . . . . -6 SER HB3 . 16895 1 7 . 1 1 2 2 SER CA C 13 58.259 0.400 . 1 . . . . -6 SER CA . 16895 1 8 . 1 1 2 2 SER CB C 13 63.925 0.400 . 1 . . . . -6 SER CB . 16895 1 9 . 1 1 2 2 SER N N 15 115.611 0.400 . 1 . . . . -6 SER N . 16895 1 10 . 1 1 3 3 LEU H H 1 8.246 0.020 . 1 . . . . -5 LEU H . 16895 1 11 . 1 1 3 3 LEU HA H 1 4.279 0.020 . 1 . . . . -5 LEU HA . 16895 1 12 . 1 1 3 3 LEU HB2 H 1 1.500 0.020 . 2 . . . . -5 LEU HB2 . 16895 1 13 . 1 1 3 3 LEU HB3 H 1 1.500 0.020 . 2 . . . . -5 LEU HB3 . 16895 1 14 . 1 1 3 3 LEU C C 13 176.944 0.400 . 1 . . . . -5 LEU C . 16895 1 15 . 1 1 3 3 LEU CA C 13 55.205 0.400 . 1 . . . . -5 LEU CA . 16895 1 16 . 1 1 3 3 LEU CB C 13 42.057 0.400 . 1 . . . . -5 LEU CB . 16895 1 17 . 1 1 3 3 LEU N N 15 124.102 0.400 . 1 . . . . -5 LEU N . 16895 1 18 . 1 1 4 4 VAL H H 1 7.946 0.020 . 1 . . . . -4 VAL H . 16895 1 19 . 1 1 4 4 VAL HA H 1 4.677 0.020 . 1 . . . . -4 VAL HA . 16895 1 20 . 1 1 4 4 VAL HB H 1 1.924 0.020 . 1 . . . . -4 VAL HB . 16895 1 21 . 1 1 4 4 VAL HG11 H 1 0.821 0.020 . 2 . . . . -4 VAL HG1 . 16895 1 22 . 1 1 4 4 VAL HG12 H 1 0.821 0.020 . 2 . . . . -4 VAL HG1 . 16895 1 23 . 1 1 4 4 VAL HG13 H 1 0.821 0.020 . 2 . . . . -4 VAL HG1 . 16895 1 24 . 1 1 4 4 VAL HG21 H 1 0.821 0.020 . 2 . . . . -4 VAL HG2 . 16895 1 25 . 1 1 4 4 VAL HG22 H 1 0.821 0.020 . 2 . . . . -4 VAL HG2 . 16895 1 26 . 1 1 4 4 VAL HG23 H 1 0.821 0.020 . 2 . . . . -4 VAL HG2 . 16895 1 27 . 1 1 4 4 VAL CA C 13 59.839 0.400 . 1 . . . . -4 VAL CA . 16895 1 28 . 1 1 4 4 VAL CB C 13 32.500 0.400 . 1 . . . . -4 VAL CB . 16895 1 29 . 1 1 4 4 VAL N N 15 122.569 0.400 . 1 . . . . -4 VAL N . 16895 1 30 . 1 1 5 5 PRO C C 13 176.685 0.400 . 1 . . . . -3 PRO C . 16895 1 31 . 1 1 5 5 PRO CA C 13 63.083 0.400 . 1 . . . . -3 PRO CA . 16895 1 32 . 1 1 5 5 PRO CB C 13 32.050 0.400 . 1 . . . . -3 PRO CB . 16895 1 33 . 1 1 6 6 ARG H H 1 8.357 0.020 . 1 . . . . -2 ARG H . 16895 1 34 . 1 1 6 6 ARG HA H 1 4.248 0.020 . 1 . . . . -2 ARG HA . 16895 1 35 . 1 1 6 6 ARG HB2 H 1 1.764 0.020 . 2 . . . . -2 ARG HB2 . 16895 1 36 . 1 1 6 6 ARG HB3 H 1 1.651 0.020 . 2 . . . . -2 ARG HB3 . 16895 1 37 . 1 1 6 6 ARG C C 13 176.658 0.400 . 1 . . . . -2 ARG C . 16895 1 38 . 1 1 6 6 ARG CA C 13 55.983 0.400 . 1 . . . . -2 ARG CA . 16895 1 39 . 1 1 6 6 ARG CB C 13 30.932 0.400 . 1 . . . . -2 ARG CB . 16895 1 40 . 1 1 6 6 ARG N N 15 121.762 0.400 . 1 . . . . -2 ARG N . 16895 1 41 . 1 1 7 7 GLY H H 1 8.458 0.020 . 1 . . . . -1 GLY H . 16895 1 42 . 1 1 7 7 GLY HA2 H 1 3.936 0.020 . 2 . . . . -1 GLY HA2 . 16895 1 43 . 1 1 7 7 GLY HA3 H 1 3.762 0.020 . 2 . . . . -1 GLY HA3 . 16895 1 44 . 1 1 7 7 GLY C C 13 173.564 0.400 . 1 . . . . -1 GLY C . 16895 1 45 . 1 1 7 7 GLY CA C 13 45.023 0.400 . 1 . . . . -1 GLY CA . 16895 1 46 . 1 1 7 7 GLY N N 15 110.656 0.400 . 1 . . . . -1 GLY N . 16895 1 47 . 1 1 8 8 SER H H 1 7.987 0.020 . 1 . . . . 0 SER H . 16895 1 48 . 1 1 8 8 SER HA H 1 4.447 0.020 . 1 . . . . 0 SER HA . 16895 1 49 . 1 1 8 8 SER HB2 H 1 3.745 0.020 . 2 . . . . 0 SER HB2 . 16895 1 50 . 1 1 8 8 SER HB3 H 1 3.745 0.020 . 2 . . . . 0 SER HB3 . 16895 1 51 . 1 1 8 8 SER C C 13 173.561 0.400 . 1 . . . . 0 SER C . 16895 1 52 . 1 1 8 8 SER CA C 13 58.880 0.400 . 1 . . . . 0 SER CA . 16895 1 53 . 1 1 8 8 SER CB C 13 64.198 0.400 . 1 . . . . 0 SER CB . 16895 1 54 . 1 1 8 8 SER N N 15 115.510 0.400 . 1 . . . . 0 SER N . 16895 1 55 . 1 1 9 9 MET H H 1 9.038 0.020 . 1 . . . . 1 MET H . 16895 1 56 . 1 1 9 9 MET HA H 1 4.609 0.020 . 1 . . . . 1 MET HA . 16895 1 57 . 1 1 9 9 MET HB2 H 1 1.839 0.020 . 2 . . . . 1 MET HB2 . 16895 1 58 . 1 1 9 9 MET HB3 H 1 1.748 0.020 . 2 . . . . 1 MET HB3 . 16895 1 59 . 1 1 9 9 MET HG2 H 1 2.263 0.020 . 2 . . . . 1 MET HG2 . 16895 1 60 . 1 1 9 9 MET HG3 H 1 1.937 0.020 . 2 . . . . 1 MET HG3 . 16895 1 61 . 1 1 9 9 MET C C 13 172.744 0.400 . 1 . . . . 1 MET C . 16895 1 62 . 1 1 9 9 MET CA C 13 54.377 0.400 . 1 . . . . 1 MET CA . 16895 1 63 . 1 1 9 9 MET CB C 13 35.447 0.400 . 1 . . . . 1 MET CB . 16895 1 64 . 1 1 9 9 MET CG C 13 31.631 0.400 . 1 . . . . 1 MET CG . 16895 1 65 . 1 1 9 9 MET N N 15 120.481 0.400 . 1 . . . . 1 MET N . 16895 1 66 . 1 1 10 10 GLN H H 1 8.266 0.020 . 1 . . . . 2 GLN H . 16895 1 67 . 1 1 10 10 GLN HA H 1 5.269 0.020 . 1 . . . . 2 GLN HA . 16895 1 68 . 1 1 10 10 GLN HB2 H 1 1.715 0.020 . 2 . . . . 2 GLN HB2 . 16895 1 69 . 1 1 10 10 GLN HB3 H 1 1.512 0.020 . 2 . . . . 2 GLN HB3 . 16895 1 70 . 1 1 10 10 GLN HG2 H 1 2.113 0.020 . 2 . . . . 2 GLN HG2 . 16895 1 71 . 1 1 10 10 GLN HG3 H 1 1.852 0.020 . 2 . . . . 2 GLN HG3 . 16895 1 72 . 1 1 10 10 GLN C C 13 175.939 0.400 . 1 . . . . 2 GLN C . 16895 1 73 . 1 1 10 10 GLN CA C 13 54.216 0.400 . 1 . . . . 2 GLN CA . 16895 1 74 . 1 1 10 10 GLN CB C 13 30.503 0.400 . 1 . . . . 2 GLN CB . 16895 1 75 . 1 1 10 10 GLN CG C 13 34.363 0.400 . 1 . . . . 2 GLN CG . 16895 1 76 . 1 1 10 10 GLN N N 15 121.010 0.400 . 1 . . . . 2 GLN N . 16895 1 77 . 1 1 11 11 ILE H H 1 8.268 0.020 . 1 . . . . 3 ILE H . 16895 1 78 . 1 1 11 11 ILE HA H 1 4.104 0.020 . 1 . . . . 3 ILE HA . 16895 1 79 . 1 1 11 11 ILE HB H 1 1.669 0.020 . 1 . . . . 3 ILE HB . 16895 1 80 . 1 1 11 11 ILE HD11 H 1 0.504 0.020 . 1 . . . . 3 ILE HD1 . 16895 1 81 . 1 1 11 11 ILE HD12 H 1 0.504 0.020 . 1 . . . . 3 ILE HD1 . 16895 1 82 . 1 1 11 11 ILE HD13 H 1 0.504 0.020 . 1 . . . . 3 ILE HD1 . 16895 1 83 . 1 1 11 11 ILE HG21 H 1 0.535 0.020 . 1 . . . . 3 ILE HG2 . 16895 1 84 . 1 1 11 11 ILE HG22 H 1 0.535 0.020 . 1 . . . . 3 ILE HG2 . 16895 1 85 . 1 1 11 11 ILE HG23 H 1 0.535 0.020 . 1 . . . . 3 ILE HG2 . 16895 1 86 . 1 1 11 11 ILE C C 13 172.362 0.400 . 1 . . . . 3 ILE C . 16895 1 87 . 1 1 11 11 ILE CA C 13 59.428 0.400 . 1 . . . . 3 ILE CA . 16895 1 88 . 1 1 11 11 ILE CB C 13 41.820 0.400 . 1 . . . . 3 ILE CB . 16895 1 89 . 1 1 11 11 ILE CD1 C 13 14.132 0.400 . 1 . . . . 3 ILE CD1 . 16895 1 90 . 1 1 11 11 ILE CG2 C 13 17.817 0.400 . 1 . . . . 3 ILE CG2 . 16895 1 91 . 1 1 11 11 ILE N N 15 114.557 0.400 . 1 . . . . 3 ILE N . 16895 1 92 . 1 1 12 12 PHE H H 1 8.522 0.020 . 1 . . . . 4 PHE H . 16895 1 93 . 1 1 12 12 PHE HA H 1 5.542 0.020 . 1 . . . . 4 PHE HA . 16895 1 94 . 1 1 12 12 PHE HB2 H 1 2.948 0.020 . 2 . . . . 4 PHE HB2 . 16895 1 95 . 1 1 12 12 PHE HB3 H 1 2.789 0.020 . 2 . . . . 4 PHE HB3 . 16895 1 96 . 1 1 12 12 PHE HD1 H 1 6.979 0.020 . 1 . . . . 4 PHE HD1 . 16895 1 97 . 1 1 12 12 PHE HD2 H 1 6.979 0.020 . 1 . . . . 4 PHE HD2 . 16895 1 98 . 1 1 12 12 PHE C C 13 175.027 0.400 . 1 . . . . 4 PHE C . 16895 1 99 . 1 1 12 12 PHE CA C 13 55.047 0.400 . 1 . . . . 4 PHE CA . 16895 1 100 . 1 1 12 12 PHE CB C 13 41.172 0.400 . 1 . . . . 4 PHE CB . 16895 1 101 . 1 1 12 12 PHE N N 15 118.597 0.400 . 1 . . . . 4 PHE N . 16895 1 102 . 1 1 13 13 VAL H H 1 9.230 0.020 . 1 . . . . 5 VAL H . 16895 1 103 . 1 1 13 13 VAL HA H 1 4.735 0.020 . 1 . . . . 5 VAL HA . 16895 1 104 . 1 1 13 13 VAL HB H 1 1.808 0.020 . 1 . . . . 5 VAL HB . 16895 1 105 . 1 1 13 13 VAL HG11 H 1 0.639 0.020 . 2 . . . . 5 VAL HG1 . 16895 1 106 . 1 1 13 13 VAL HG12 H 1 0.639 0.020 . 2 . . . . 5 VAL HG1 . 16895 1 107 . 1 1 13 13 VAL HG13 H 1 0.639 0.020 . 2 . . . . 5 VAL HG1 . 16895 1 108 . 1 1 13 13 VAL HG21 H 1 0.595 0.020 . 2 . . . . 5 VAL HG2 . 16895 1 109 . 1 1 13 13 VAL HG22 H 1 0.595 0.020 . 2 . . . . 5 VAL HG2 . 16895 1 110 . 1 1 13 13 VAL HG23 H 1 0.595 0.020 . 2 . . . . 5 VAL HG2 . 16895 1 111 . 1 1 13 13 VAL C C 13 174.746 0.400 . 1 . . . . 5 VAL C . 16895 1 112 . 1 1 13 13 VAL CA C 13 60.317 0.400 . 1 . . . . 5 VAL CA . 16895 1 113 . 1 1 13 13 VAL CB C 13 34.057 0.400 . 1 . . . . 5 VAL CB . 16895 1 114 . 1 1 13 13 VAL CG1 C 13 20.773 0.400 . 1 . . . . 5 VAL CG1 . 16895 1 115 . 1 1 13 13 VAL CG2 C 13 22.416 0.400 . 1 . . . . 5 VAL CG2 . 16895 1 116 . 1 1 13 13 VAL N N 15 121.411 0.400 . 1 . . . . 5 VAL N . 16895 1 117 . 1 1 14 14 LYS H H 1 8.908 0.020 . 1 . . . . 6 LYS H . 16895 1 118 . 1 1 14 14 LYS HA H 1 5.189 0.020 . 1 . . . . 6 LYS HA . 16895 1 119 . 1 1 14 14 LYS HB2 H 1 1.609 0.020 . 2 . . . . 6 LYS HB2 . 16895 1 120 . 1 1 14 14 LYS HB3 H 1 1.322 0.020 . 2 . . . . 6 LYS HB3 . 16895 1 121 . 1 1 14 14 LYS HD2 H 1 1.489 0.020 . 2 . . . . 6 LYS HD2 . 16895 1 122 . 1 1 14 14 LYS HD3 H 1 1.489 0.020 . 2 . . . . 6 LYS HD3 . 16895 1 123 . 1 1 14 14 LYS HE2 H 1 2.798 0.020 . 2 . . . . 6 LYS HE2 . 16895 1 124 . 1 1 14 14 LYS HE3 H 1 2.798 0.020 . 2 . . . . 6 LYS HE3 . 16895 1 125 . 1 1 14 14 LYS HG2 H 1 1.377 0.020 . 2 . . . . 6 LYS HG2 . 16895 1 126 . 1 1 14 14 LYS HG3 H 1 1.182 0.020 . 2 . . . . 6 LYS HG3 . 16895 1 127 . 1 1 14 14 LYS C C 13 176.998 0.400 . 1 . . . . 6 LYS C . 16895 1 128 . 1 1 14 14 LYS CA C 13 54.581 0.400 . 1 . . . . 6 LYS CA . 16895 1 129 . 1 1 14 14 LYS CB C 13 34.337 0.400 . 1 . . . . 6 LYS CB . 16895 1 130 . 1 1 14 14 LYS CD C 13 29.123 0.400 . 1 . . . . 6 LYS CD . 16895 1 131 . 1 1 14 14 LYS CG C 13 24.949 0.400 . 1 . . . . 6 LYS CG . 16895 1 132 . 1 1 14 14 LYS N N 15 128.031 0.400 . 1 . . . . 6 LYS N . 16895 1 133 . 1 1 15 15 THR H H 1 8.647 0.020 . 1 . . . . 7 THR H . 16895 1 134 . 1 1 15 15 THR HA H 1 4.874 0.020 . 1 . . . . 7 THR HA . 16895 1 135 . 1 1 15 15 THR HB H 1 4.697 0.020 . 1 . . . . 7 THR HB . 16895 1 136 . 1 1 15 15 THR HG21 H 1 1.086 0.020 . 1 . . . . 7 THR HG2 . 16895 1 137 . 1 1 15 15 THR HG22 H 1 1.086 0.020 . 1 . . . . 7 THR HG2 . 16895 1 138 . 1 1 15 15 THR HG23 H 1 1.086 0.020 . 1 . . . . 7 THR HG2 . 16895 1 139 . 1 1 15 15 THR C C 13 176.826 0.400 . 1 . . . . 7 THR C . 16895 1 140 . 1 1 15 15 THR CA C 13 60.263 0.400 . 1 . . . . 7 THR CA . 16895 1 141 . 1 1 15 15 THR CB C 13 70.617 0.400 . 1 . . . . 7 THR CB . 16895 1 142 . 1 1 15 15 THR CG2 C 13 21.486 0.400 . 1 . . . . 7 THR CG2 . 16895 1 143 . 1 1 15 15 THR N N 15 115.314 0.400 . 1 . . . . 7 THR N . 16895 1 144 . 1 1 16 16 LEU H H 1 9.072 0.020 . 1 . . . . 8 LEU H . 16895 1 145 . 1 1 16 16 LEU HA H 1 4.208 0.020 . 1 . . . . 8 LEU HA . 16895 1 146 . 1 1 16 16 LEU HB2 H 1 1.843 0.020 . 2 . . . . 8 LEU HB2 . 16895 1 147 . 1 1 16 16 LEU HB3 H 1 1.665 0.020 . 2 . . . . 8 LEU HB3 . 16895 1 148 . 1 1 16 16 LEU HD11 H 1 0.945 0.020 . 2 . . . . 8 LEU HD1 . 16895 1 149 . 1 1 16 16 LEU HD12 H 1 0.945 0.020 . 2 . . . . 8 LEU HD1 . 16895 1 150 . 1 1 16 16 LEU HD13 H 1 0.945 0.020 . 2 . . . . 8 LEU HD1 . 16895 1 151 . 1 1 16 16 LEU HD21 H 1 0.875 0.020 . 2 . . . . 8 LEU HD2 . 16895 1 152 . 1 1 16 16 LEU HD22 H 1 0.875 0.020 . 2 . . . . 8 LEU HD2 . 16895 1 153 . 1 1 16 16 LEU HD23 H 1 0.875 0.020 . 2 . . . . 8 LEU HD2 . 16895 1 154 . 1 1 16 16 LEU HG H 1 1.789 0.020 . 1 . . . . 8 LEU HG . 16895 1 155 . 1 1 16 16 LEU C C 13 178.698 0.400 . 1 . . . . 8 LEU C . 16895 1 156 . 1 1 16 16 LEU CA C 13 57.369 0.400 . 1 . . . . 8 LEU CA . 16895 1 157 . 1 1 16 16 LEU CB C 13 41.798 0.400 . 1 . . . . 8 LEU CB . 16895 1 158 . 1 1 16 16 LEU CD1 C 13 25.241 0.400 . 1 . . . . 8 LEU CD1 . 16895 1 159 . 1 1 16 16 LEU CD2 C 13 23.640 0.400 . 1 . . . . 8 LEU CD2 . 16895 1 160 . 1 1 16 16 LEU CG C 13 27.315 0.400 . 1 . . . . 8 LEU CG . 16895 1 161 . 1 1 16 16 LEU N N 15 121.416 0.400 . 1 . . . . 8 LEU N . 16895 1 162 . 1 1 17 17 THR H H 1 7.563 0.020 . 1 . . . . 9 THR H . 16895 1 163 . 1 1 17 17 THR HA H 1 4.327 0.020 . 1 . . . . 9 THR HA . 16895 1 164 . 1 1 17 17 THR HB H 1 4.478 0.020 . 1 . . . . 9 THR HB . 16895 1 165 . 1 1 17 17 THR HG21 H 1 1.159 0.020 . 1 . . . . 9 THR HG2 . 16895 1 166 . 1 1 17 17 THR HG22 H 1 1.159 0.020 . 1 . . . . 9 THR HG2 . 16895 1 167 . 1 1 17 17 THR HG23 H 1 1.159 0.020 . 1 . . . . 9 THR HG2 . 16895 1 168 . 1 1 17 17 THR C C 13 175.398 0.400 . 1 . . . . 9 THR C . 16895 1 169 . 1 1 17 17 THR CA C 13 61.433 0.400 . 1 . . . . 9 THR CA . 16895 1 170 . 1 1 17 17 THR CB C 13 68.915 0.400 . 1 . . . . 9 THR CB . 16895 1 171 . 1 1 17 17 THR CG2 C 13 21.750 0.400 . 1 . . . . 9 THR CG2 . 16895 1 172 . 1 1 17 17 THR N N 15 105.924 0.400 . 1 . . . . 9 THR N . 16895 1 173 . 1 1 18 18 GLY H H 1 7.755 0.020 . 1 . . . . 10 GLY H . 16895 1 174 . 1 1 18 18 GLY HA2 H 1 4.251 0.020 . 2 . . . . 10 GLY HA2 . 16895 1 175 . 1 1 18 18 GLY HA3 H 1 3.523 0.020 . 2 . . . . 10 GLY HA3 . 16895 1 176 . 1 1 18 18 GLY C C 13 173.885 0.400 . 1 . . . . 10 GLY C . 16895 1 177 . 1 1 18 18 GLY CA C 13 45.267 0.400 . 1 . . . . 10 GLY CA . 16895 1 178 . 1 1 18 18 GLY N N 15 109.269 0.400 . 1 . . . . 10 GLY N . 16895 1 179 . 1 1 19 19 LYS H H 1 7.213 0.020 . 1 . . . . 11 LYS H . 16895 1 180 . 1 1 19 19 LYS HA H 1 4.260 0.020 . 1 . . . . 11 LYS HA . 16895 1 181 . 1 1 19 19 LYS HB2 H 1 1.710 0.020 . 2 . . . . 11 LYS HB2 . 16895 1 182 . 1 1 19 19 LYS HB3 H 1 1.604 0.020 . 2 . . . . 11 LYS HB3 . 16895 1 183 . 1 1 19 19 LYS HD2 H 1 1.520 0.020 . 2 . . . . 11 LYS HD2 . 16895 1 184 . 1 1 19 19 LYS HD3 H 1 1.520 0.020 . 2 . . . . 11 LYS HD3 . 16895 1 185 . 1 1 19 19 LYS HE2 H 1 2.801 0.020 . 2 . . . . 11 LYS HE2 . 16895 1 186 . 1 1 19 19 LYS HE3 H 1 2.801 0.020 . 2 . . . . 11 LYS HE3 . 16895 1 187 . 1 1 19 19 LYS HG2 H 1 1.319 0.020 . 2 . . . . 11 LYS HG2 . 16895 1 188 . 1 1 19 19 LYS HG3 H 1 1.152 0.020 . 2 . . . . 11 LYS HG3 . 16895 1 189 . 1 1 19 19 LYS C C 13 175.676 0.400 . 1 . . . . 11 LYS C . 16895 1 190 . 1 1 19 19 LYS CA C 13 56.267 0.400 . 1 . . . . 11 LYS CA . 16895 1 191 . 1 1 19 19 LYS CB C 13 33.237 0.400 . 1 . . . . 11 LYS CB . 16895 1 192 . 1 1 19 19 LYS CD C 13 29.320 0.400 . 1 . . . . 11 LYS CD . 16895 1 193 . 1 1 19 19 LYS CG C 13 24.998 0.400 . 1 . . . . 11 LYS CG . 16895 1 194 . 1 1 19 19 LYS N N 15 122.002 0.400 . 1 . . . . 11 LYS N . 16895 1 195 . 1 1 20 20 THR H H 1 8.568 0.020 . 1 . . . . 12 THR H . 16895 1 196 . 1 1 20 20 THR HA H 1 4.953 0.020 . 1 . . . . 12 THR HA . 16895 1 197 . 1 1 20 20 THR HB H 1 3.834 0.020 . 1 . . . . 12 THR HB . 16895 1 198 . 1 1 20 20 THR HG21 H 1 0.968 0.020 . 1 . . . . 12 THR HG2 . 16895 1 199 . 1 1 20 20 THR HG22 H 1 0.968 0.020 . 1 . . . . 12 THR HG2 . 16895 1 200 . 1 1 20 20 THR HG23 H 1 0.968 0.020 . 1 . . . . 12 THR HG2 . 16895 1 201 . 1 1 20 20 THR C C 13 174.199 0.400 . 1 . . . . 12 THR C . 16895 1 202 . 1 1 20 20 THR CA C 13 62.234 0.400 . 1 . . . . 12 THR CA . 16895 1 203 . 1 1 20 20 THR CB C 13 69.726 0.400 . 1 . . . . 12 THR CB . 16895 1 204 . 1 1 20 20 THR CG2 C 13 21.839 0.400 . 1 . . . . 12 THR CG2 . 16895 1 205 . 1 1 20 20 THR N N 15 120.704 0.400 . 1 . . . . 12 THR N . 16895 1 206 . 1 1 21 21 ILE H H 1 9.507 0.020 . 1 . . . . 13 ILE H . 16895 1 207 . 1 1 21 21 ILE HA H 1 4.389 0.020 . 1 . . . . 13 ILE HA . 16895 1 208 . 1 1 21 21 ILE HB H 1 1.769 0.020 . 1 . . . . 13 ILE HB . 16895 1 209 . 1 1 21 21 ILE HD11 H 1 0.628 0.020 . 1 . . . . 13 ILE HD1 . 16895 1 210 . 1 1 21 21 ILE HD12 H 1 0.628 0.020 . 1 . . . . 13 ILE HD1 . 16895 1 211 . 1 1 21 21 ILE HD13 H 1 0.628 0.020 . 1 . . . . 13 ILE HD1 . 16895 1 212 . 1 1 21 21 ILE HG12 H 1 1.361 0.020 . 2 . . . . 13 ILE HG12 . 16895 1 213 . 1 1 21 21 ILE HG13 H 1 0.991 0.020 . 2 . . . . 13 ILE HG13 . 16895 1 214 . 1 1 21 21 ILE HG21 H 1 0.781 0.020 . 1 . . . . 13 ILE HG2 . 16895 1 215 . 1 1 21 21 ILE HG22 H 1 0.781 0.020 . 1 . . . . 13 ILE HG2 . 16895 1 216 . 1 1 21 21 ILE HG23 H 1 0.781 0.020 . 1 . . . . 13 ILE HG2 . 16895 1 217 . 1 1 21 21 ILE C C 13 175.091 0.400 . 1 . . . . 13 ILE C . 16895 1 218 . 1 1 21 21 ILE CA C 13 59.973 0.400 . 1 . . . . 13 ILE CA . 16895 1 219 . 1 1 21 21 ILE CB C 13 40.707 0.400 . 1 . . . . 13 ILE CB . 16895 1 220 . 1 1 21 21 ILE CD1 C 13 14.385 0.400 . 1 . . . . 13 ILE CD1 . 16895 1 221 . 1 1 21 21 ILE CG1 C 13 26.996 0.400 . 1 . . . . 13 ILE CG1 . 16895 1 222 . 1 1 21 21 ILE CG2 C 13 17.666 0.400 . 1 . . . . 13 ILE CG2 . 16895 1 223 . 1 1 21 21 ILE N N 15 128.200 0.400 . 1 . . . . 13 ILE N . 16895 1 224 . 1 1 22 22 THR H H 1 8.698 0.020 . 1 . . . . 14 THR H . 16895 1 225 . 1 1 22 22 THR HA H 1 4.863 0.020 . 1 . . . . 14 THR HA . 16895 1 226 . 1 1 22 22 THR HB H 1 3.930 0.020 . 1 . . . . 14 THR HB . 16895 1 227 . 1 1 22 22 THR HG21 H 1 1.017 0.020 . 1 . . . . 14 THR HG2 . 16895 1 228 . 1 1 22 22 THR HG22 H 1 1.017 0.020 . 1 . . . . 14 THR HG2 . 16895 1 229 . 1 1 22 22 THR HG23 H 1 1.017 0.020 . 1 . . . . 14 THR HG2 . 16895 1 230 . 1 1 22 22 THR C C 13 173.649 0.400 . 1 . . . . 14 THR C . 16895 1 231 . 1 1 22 22 THR CA C 13 62.127 0.400 . 1 . . . . 14 THR CA . 16895 1 232 . 1 1 22 22 THR CB C 13 69.472 0.400 . 1 . . . . 14 THR CB . 16895 1 233 . 1 1 22 22 THR CG2 C 13 21.660 0.400 . 1 . . . . 14 THR CG2 . 16895 1 234 . 1 1 22 22 THR N N 15 122.310 0.400 . 1 . . . . 14 THR N . 16895 1 235 . 1 1 23 23 LEU H H 1 8.725 0.020 . 1 . . . . 15 LEU H . 16895 1 236 . 1 1 23 23 LEU HA H 1 4.689 0.020 . 1 . . . . 15 LEU HA . 16895 1 237 . 1 1 23 23 LEU HB2 H 1 1.289 0.020 . 2 . . . . 15 LEU HB2 . 16895 1 238 . 1 1 23 23 LEU HB3 H 1 1.119 0.020 . 2 . . . . 15 LEU HB3 . 16895 1 239 . 1 1 23 23 LEU HD11 H 1 0.678 0.020 . 2 . . . . 15 LEU HD1 . 16895 1 240 . 1 1 23 23 LEU HD12 H 1 0.678 0.020 . 2 . . . . 15 LEU HD1 . 16895 1 241 . 1 1 23 23 LEU HD13 H 1 0.678 0.020 . 2 . . . . 15 LEU HD1 . 16895 1 242 . 1 1 23 23 LEU HD21 H 1 0.623 0.020 . 2 . . . . 15 LEU HD2 . 16895 1 243 . 1 1 23 23 LEU HD22 H 1 0.623 0.020 . 2 . . . . 15 LEU HD2 . 16895 1 244 . 1 1 23 23 LEU HD23 H 1 0.623 0.020 . 2 . . . . 15 LEU HD2 . 16895 1 245 . 1 1 23 23 LEU HG H 1 1.332 0.020 . 1 . . . . 15 LEU HG . 16895 1 246 . 1 1 23 23 LEU C C 13 174.736 0.400 . 1 . . . . 15 LEU C . 16895 1 247 . 1 1 23 23 LEU CA C 13 52.721 0.400 . 1 . . . . 15 LEU CA . 16895 1 248 . 1 1 23 23 LEU CB C 13 46.597 0.400 . 1 . . . . 15 LEU CB . 16895 1 249 . 1 1 23 23 LEU CD1 C 13 24.065 0.400 . 1 . . . . 15 LEU CD1 . 16895 1 250 . 1 1 23 23 LEU CD2 C 13 27.120 0.400 . 1 . . . . 15 LEU CD2 . 16895 1 251 . 1 1 23 23 LEU CG C 13 26.970 0.400 . 1 . . . . 15 LEU CG . 16895 1 252 . 1 1 23 23 LEU N N 15 125.408 0.400 . 1 . . . . 15 LEU N . 16895 1 253 . 1 1 24 24 GLU H H 1 8.076 0.020 . 1 . . . . 16 GLU H . 16895 1 254 . 1 1 24 24 GLU HA H 1 4.804 0.020 . 1 . . . . 16 GLU HA . 16895 1 255 . 1 1 24 24 GLU HB2 H 1 1.802 0.020 . 2 . . . . 16 GLU HB2 . 16895 1 256 . 1 1 24 24 GLU HB3 H 1 1.802 0.020 . 2 . . . . 16 GLU HB3 . 16895 1 257 . 1 1 24 24 GLU HG2 H 1 2.057 0.020 . 2 . . . . 16 GLU HG2 . 16895 1 258 . 1 1 24 24 GLU HG3 H 1 2.057 0.020 . 2 . . . . 16 GLU HG3 . 16895 1 259 . 1 1 24 24 GLU C C 13 175.832 0.400 . 1 . . . . 16 GLU C . 16895 1 260 . 1 1 24 24 GLU CA C 13 55.417 0.400 . 1 . . . . 16 GLU CA . 16895 1 261 . 1 1 24 24 GLU CB C 13 30.149 0.400 . 1 . . . . 16 GLU CB . 16895 1 262 . 1 1 24 24 GLU CG C 13 36.477 0.400 . 1 . . . . 16 GLU CG . 16895 1 263 . 1 1 24 24 GLU N N 15 121.802 0.400 . 1 . . . . 16 GLU N . 16895 1 264 . 1 1 25 25 VAL H H 1 8.799 0.020 . 1 . . . . 17 VAL H . 16895 1 265 . 1 1 25 25 VAL HA H 1 4.639 0.020 . 1 . . . . 17 VAL HA . 16895 1 266 . 1 1 25 25 VAL HB H 1 2.295 0.020 . 1 . . . . 17 VAL HB . 16895 1 267 . 1 1 25 25 VAL HG11 H 1 0.599 0.020 . 2 . . . . 17 VAL HG1 . 16895 1 268 . 1 1 25 25 VAL HG12 H 1 0.599 0.020 . 2 . . . . 17 VAL HG1 . 16895 1 269 . 1 1 25 25 VAL HG13 H 1 0.599 0.020 . 2 . . . . 17 VAL HG1 . 16895 1 270 . 1 1 25 25 VAL HG21 H 1 0.359 0.020 . 2 . . . . 17 VAL HG2 . 16895 1 271 . 1 1 25 25 VAL HG22 H 1 0.359 0.020 . 2 . . . . 17 VAL HG2 . 16895 1 272 . 1 1 25 25 VAL HG23 H 1 0.359 0.020 . 2 . . . . 17 VAL HG2 . 16895 1 273 . 1 1 25 25 VAL C C 13 173.594 0.400 . 1 . . . . 17 VAL C . 16895 1 274 . 1 1 25 25 VAL CA C 13 58.602 0.400 . 1 . . . . 17 VAL CA . 16895 1 275 . 1 1 25 25 VAL CB C 13 36.311 0.400 . 1 . . . . 17 VAL CB . 16895 1 276 . 1 1 25 25 VAL CG1 C 13 22.075 0.400 . 1 . . . . 17 VAL CG1 . 16895 1 277 . 1 1 25 25 VAL CG2 C 13 19.315 0.400 . 1 . . . . 17 VAL CG2 . 16895 1 278 . 1 1 25 25 VAL N N 15 116.697 0.400 . 1 . . . . 17 VAL N . 16895 1 279 . 1 1 26 26 GLU H H 1 8.498 0.020 . 1 . . . . 18 GLU H . 16895 1 280 . 1 1 26 26 GLU HA H 1 4.898 0.020 . 1 . . . . 18 GLU HA . 16895 1 281 . 1 1 26 26 GLU HB2 H 1 2.021 0.020 . 2 . . . . 18 GLU HB2 . 16895 1 282 . 1 1 26 26 GLU HB3 H 1 1.573 0.020 . 2 . . . . 18 GLU HB3 . 16895 1 283 . 1 1 26 26 GLU HG2 H 1 2.201 0.020 . 2 . . . . 18 GLU HG2 . 16895 1 284 . 1 1 26 26 GLU HG3 H 1 2.121 0.020 . 2 . . . . 18 GLU HG3 . 16895 1 285 . 1 1 26 26 GLU CA C 13 53.041 0.400 . 1 . . . . 18 GLU CA . 16895 1 286 . 1 1 26 26 GLU CB C 13 31.174 0.400 . 1 . . . . 18 GLU CB . 16895 1 287 . 1 1 26 26 GLU CG C 13 36.054 0.400 . 1 . . . . 18 GLU CG . 16895 1 288 . 1 1 26 26 GLU N N 15 117.918 0.400 . 1 . . . . 18 GLU N . 16895 1 289 . 1 1 27 27 PRO HA H 1 4.041 0.020 . 1 . . . . 19 PRO HA . 16895 1 290 . 1 1 27 27 PRO HB2 H 1 2.331 0.020 . 2 . . . . 19 PRO HB2 . 16895 1 291 . 1 1 27 27 PRO HB3 H 1 1.901 0.020 . 2 . . . . 19 PRO HB3 . 16895 1 292 . 1 1 27 27 PRO HD2 H 1 3.665 0.020 . 2 . . . . 19 PRO HD2 . 16895 1 293 . 1 1 27 27 PRO HD3 H 1 3.665 0.020 . 2 . . . . 19 PRO HD3 . 16895 1 294 . 1 1 27 27 PRO HG2 H 1 2.065 0.020 . 2 . . . . 19 PRO HG2 . 16895 1 295 . 1 1 27 27 PRO HG3 H 1 1.984 0.020 . 2 . . . . 19 PRO HG3 . 16895 1 296 . 1 1 27 27 PRO C C 13 175.271 0.400 . 1 . . . . 19 PRO C . 16895 1 297 . 1 1 27 27 PRO CA C 13 65.375 0.400 . 1 . . . . 19 PRO CA . 16895 1 298 . 1 1 27 27 PRO CB C 13 31.701 0.400 . 1 . . . . 19 PRO CB . 16895 1 299 . 1 1 27 27 PRO CG C 13 28.000 0.400 . 1 . . . . 19 PRO CG . 16895 1 300 . 1 1 28 28 SER H H 1 7.015 0.020 . 1 . . . . 20 SER H . 16895 1 301 . 1 1 28 28 SER HA H 1 4.284 0.020 . 1 . . . . 20 SER HA . 16895 1 302 . 1 1 28 28 SER HB2 H 1 4.054 0.020 . 2 . . . . 20 SER HB2 . 16895 1 303 . 1 1 28 28 SER HB3 H 1 3.689 0.020 . 2 . . . . 20 SER HB3 . 16895 1 304 . 1 1 28 28 SER C C 13 174.535 0.400 . 1 . . . . 20 SER C . 16895 1 305 . 1 1 28 28 SER CA C 13 57.398 0.400 . 1 . . . . 20 SER CA . 16895 1 306 . 1 1 28 28 SER CB C 13 63.373 0.400 . 1 . . . . 20 SER CB . 16895 1 307 . 1 1 28 28 SER N N 15 103.802 0.400 . 1 . . . . 20 SER N . 16895 1 308 . 1 1 29 29 ASP H H 1 7.961 0.020 . 1 . . . . 21 ASP H . 16895 1 309 . 1 1 29 29 ASP HA H 1 4.603 0.020 . 1 . . . . 21 ASP HA . 16895 1 310 . 1 1 29 29 ASP HB2 H 1 2.887 0.020 . 2 . . . . 21 ASP HB2 . 16895 1 311 . 1 1 29 29 ASP HB3 H 1 2.420 0.020 . 2 . . . . 21 ASP HB3 . 16895 1 312 . 1 1 29 29 ASP C C 13 176.213 0.400 . 1 . . . . 21 ASP C . 16895 1 313 . 1 1 29 29 ASP CA C 13 55.869 0.400 . 1 . . . . 21 ASP CA . 16895 1 314 . 1 1 29 29 ASP CB C 13 40.955 0.400 . 1 . . . . 21 ASP CB . 16895 1 315 . 1 1 29 29 ASP N N 15 123.743 0.400 . 1 . . . . 21 ASP N . 16895 1 316 . 1 1 30 30 THR H H 1 7.781 0.020 . 1 . . . . 22 THR H . 16895 1 317 . 1 1 30 30 THR HA H 1 4.854 0.020 . 1 . . . . 22 THR HA . 16895 1 318 . 1 1 30 30 THR HB H 1 4.613 0.020 . 1 . . . . 22 THR HB . 16895 1 319 . 1 1 30 30 THR HG21 H 1 1.132 0.020 . 1 . . . . 22 THR HG2 . 16895 1 320 . 1 1 30 30 THR HG22 H 1 1.132 0.020 . 1 . . . . 22 THR HG2 . 16895 1 321 . 1 1 30 30 THR HG23 H 1 1.132 0.020 . 1 . . . . 22 THR HG2 . 16895 1 322 . 1 1 30 30 THR C C 13 176.794 0.400 . 1 . . . . 22 THR C . 16895 1 323 . 1 1 30 30 THR CA C 13 59.417 0.400 . 1 . . . . 22 THR CA . 16895 1 324 . 1 1 30 30 THR CB C 13 71.117 0.400 . 1 . . . . 22 THR CB . 16895 1 325 . 1 1 30 30 THR CG2 C 13 22.087 0.400 . 1 . . . . 22 THR CG2 . 16895 1 326 . 1 1 30 30 THR N N 15 108.808 0.400 . 1 . . . . 22 THR N . 16895 1 327 . 1 1 31 31 ILE H H 1 8.323 0.020 . 1 . . . . 23 ILE H . 16895 1 328 . 1 1 31 31 ILE HA H 1 3.576 0.020 . 1 . . . . 23 ILE HA . 16895 1 329 . 1 1 31 31 ILE HB H 1 2.482 0.020 . 1 . . . . 23 ILE HB . 16895 1 330 . 1 1 31 31 ILE HD11 H 1 0.481 0.020 . 1 . . . . 23 ILE HD1 . 16895 1 331 . 1 1 31 31 ILE HD12 H 1 0.481 0.020 . 1 . . . . 23 ILE HD1 . 16895 1 332 . 1 1 31 31 ILE HD13 H 1 0.481 0.020 . 1 . . . . 23 ILE HD1 . 16895 1 333 . 1 1 31 31 ILE HG12 H 1 1.878 0.020 . 2 . . . . 23 ILE HG12 . 16895 1 334 . 1 1 31 31 ILE HG13 H 1 1.222 0.020 . 2 . . . . 23 ILE HG13 . 16895 1 335 . 1 1 31 31 ILE HG21 H 1 0.700 0.020 . 1 . . . . 23 ILE HG2 . 16895 1 336 . 1 1 31 31 ILE HG22 H 1 0.700 0.020 . 1 . . . . 23 ILE HG2 . 16895 1 337 . 1 1 31 31 ILE HG23 H 1 0.700 0.020 . 1 . . . . 23 ILE HG2 . 16895 1 338 . 1 1 31 31 ILE C C 13 178.773 0.400 . 1 . . . . 23 ILE C . 16895 1 339 . 1 1 31 31 ILE CA C 13 62.179 0.400 . 1 . . . . 23 ILE CA . 16895 1 340 . 1 1 31 31 ILE CB C 13 34.343 0.400 . 1 . . . . 23 ILE CB . 16895 1 341 . 1 1 31 31 ILE CD1 C 13 9.419 0.400 . 1 . . . . 23 ILE CD1 . 16895 1 342 . 1 1 31 31 ILE CG1 C 13 27.578 0.400 . 1 . . . . 23 ILE CG1 . 16895 1 343 . 1 1 31 31 ILE CG2 C 13 17.931 0.400 . 1 . . . . 23 ILE CG2 . 16895 1 344 . 1 1 31 31 ILE N N 15 121.296 0.400 . 1 . . . . 23 ILE N . 16895 1 345 . 1 1 32 32 GLU H H 1 9.850 0.020 . 1 . . . . 24 GLU H . 16895 1 346 . 1 1 32 32 GLU HA H 1 3.776 0.020 . 1 . . . . 24 GLU HA . 16895 1 347 . 1 1 32 32 GLU HB2 H 1 1.933 0.020 . 2 . . . . 24 GLU HB2 . 16895 1 348 . 1 1 32 32 GLU HB3 H 1 1.933 0.020 . 2 . . . . 24 GLU HB3 . 16895 1 349 . 1 1 32 32 GLU HG2 H 1 2.215 0.020 . 2 . . . . 24 GLU HG2 . 16895 1 350 . 1 1 32 32 GLU HG3 H 1 2.215 0.020 . 2 . . . . 24 GLU HG3 . 16895 1 351 . 1 1 32 32 GLU C C 13 178.815 0.400 . 1 . . . . 24 GLU C . 16895 1 352 . 1 1 32 32 GLU CA C 13 60.464 0.400 . 1 . . . . 24 GLU CA . 16895 1 353 . 1 1 32 32 GLU CB C 13 28.768 0.400 . 1 . . . . 24 GLU CB . 16895 1 354 . 1 1 32 32 GLU CG C 13 36.050 0.400 . 1 . . . . 24 GLU CG . 16895 1 355 . 1 1 32 32 GLU N N 15 121.560 0.400 . 1 . . . . 24 GLU N . 16895 1 356 . 1 1 33 33 ASN H H 1 7.810 0.020 . 1 . . . . 25 ASN H . 16895 1 357 . 1 1 33 33 ASN HA H 1 4.441 0.020 . 1 . . . . 25 ASN HA . 16895 1 358 . 1 1 33 33 ASN HB2 H 1 3.147 0.020 . 2 . . . . 25 ASN HB2 . 16895 1 359 . 1 1 33 33 ASN HB3 H 1 2.755 0.020 . 2 . . . . 25 ASN HB3 . 16895 1 360 . 1 1 33 33 ASN C C 13 178.248 0.400 . 1 . . . . 25 ASN C . 16895 1 361 . 1 1 33 33 ASN CA C 13 55.779 0.400 . 1 . . . . 25 ASN CA . 16895 1 362 . 1 1 33 33 ASN CB C 13 38.112 0.400 . 1 . . . . 25 ASN CB . 16895 1 363 . 1 1 33 33 ASN N N 15 121.035 0.400 . 1 . . . . 25 ASN N . 16895 1 364 . 1 1 34 34 VAL H H 1 8.003 0.020 . 1 . . . . 26 VAL H . 16895 1 365 . 1 1 34 34 VAL HA H 1 3.302 0.020 . 1 . . . . 26 VAL HA . 16895 1 366 . 1 1 34 34 VAL HB H 1 2.264 0.020 . 1 . . . . 26 VAL HB . 16895 1 367 . 1 1 34 34 VAL HG11 H 1 0.891 0.020 . 2 . . . . 26 VAL HG1 . 16895 1 368 . 1 1 34 34 VAL HG12 H 1 0.891 0.020 . 2 . . . . 26 VAL HG1 . 16895 1 369 . 1 1 34 34 VAL HG13 H 1 0.891 0.020 . 2 . . . . 26 VAL HG1 . 16895 1 370 . 1 1 34 34 VAL HG21 H 1 0.612 0.020 . 2 . . . . 26 VAL HG2 . 16895 1 371 . 1 1 34 34 VAL HG22 H 1 0.612 0.020 . 2 . . . . 26 VAL HG2 . 16895 1 372 . 1 1 34 34 VAL HG23 H 1 0.612 0.020 . 2 . . . . 26 VAL HG2 . 16895 1 373 . 1 1 34 34 VAL C C 13 177.721 0.400 . 1 . . . . 26 VAL C . 16895 1 374 . 1 1 34 34 VAL CA C 13 67.607 0.400 . 1 . . . . 26 VAL CA . 16895 1 375 . 1 1 34 34 VAL CB C 13 30.710 0.400 . 1 . . . . 26 VAL CB . 16895 1 376 . 1 1 34 34 VAL CG1 C 13 23.690 0.400 . 1 . . . . 26 VAL CG1 . 16895 1 377 . 1 1 34 34 VAL CG2 C 13 21.582 0.400 . 1 . . . . 26 VAL CG2 . 16895 1 378 . 1 1 34 34 VAL N N 15 122.195 0.400 . 1 . . . . 26 VAL N . 16895 1 379 . 1 1 35 35 LYS H H 1 8.490 0.020 . 1 . . . . 27 LYS H . 16895 1 380 . 1 1 35 35 LYS HA H 1 4.503 0.020 . 1 . . . . 27 LYS HA . 16895 1 381 . 1 1 35 35 LYS HB2 H 1 1.920 0.020 . 2 . . . . 27 LYS HB2 . 16895 1 382 . 1 1 35 35 LYS HB3 H 1 1.349 0.020 . 2 . . . . 27 LYS HB3 . 16895 1 383 . 1 1 35 35 LYS C C 13 180.386 0.400 . 1 . . . . 27 LYS C . 16895 1 384 . 1 1 35 35 LYS CA C 13 59.261 0.400 . 1 . . . . 27 LYS CA . 16895 1 385 . 1 1 35 35 LYS CB C 13 33.498 0.400 . 1 . . . . 27 LYS CB . 16895 1 386 . 1 1 35 35 LYS N N 15 119.179 0.400 . 1 . . . . 27 LYS N . 16895 1 387 . 1 1 36 36 ALA H H 1 7.875 0.020 . 1 . . . . 28 ALA H . 16895 1 388 . 1 1 36 36 ALA HA H 1 4.063 0.020 . 1 . . . . 28 ALA HA . 16895 1 389 . 1 1 36 36 ALA HB1 H 1 1.526 0.020 . 1 . . . . 28 ALA HB . 16895 1 390 . 1 1 36 36 ALA HB2 H 1 1.526 0.020 . 1 . . . . 28 ALA HB . 16895 1 391 . 1 1 36 36 ALA HB3 H 1 1.526 0.020 . 1 . . . . 28 ALA HB . 16895 1 392 . 1 1 36 36 ALA C C 13 180.150 0.400 . 1 . . . . 28 ALA C . 16895 1 393 . 1 1 36 36 ALA CA C 13 55.267 0.400 . 1 . . . . 28 ALA CA . 16895 1 394 . 1 1 36 36 ALA CB C 13 17.592 0.400 . 1 . . . . 28 ALA CB . 16895 1 395 . 1 1 36 36 ALA N N 15 123.329 0.400 . 1 . . . . 28 ALA N . 16895 1 396 . 1 1 37 37 LYS H H 1 7.791 0.020 . 1 . . . . 29 LYS H . 16895 1 397 . 1 1 37 37 LYS HA H 1 4.106 0.020 . 1 . . . . 29 LYS HA . 16895 1 398 . 1 1 37 37 LYS HB2 H 1 2.054 0.020 . 2 . . . . 29 LYS HB2 . 16895 1 399 . 1 1 37 37 LYS HB3 H 1 1.860 0.020 . 2 . . . . 29 LYS HB3 . 16895 1 400 . 1 1 37 37 LYS C C 13 180.165 0.400 . 1 . . . . 29 LYS C . 16895 1 401 . 1 1 37 37 LYS CA C 13 59.735 0.400 . 1 . . . . 29 LYS CA . 16895 1 402 . 1 1 37 37 LYS CB C 13 33.092 0.400 . 1 . . . . 29 LYS CB . 16895 1 403 . 1 1 37 37 LYS N N 15 120.359 0.400 . 1 . . . . 29 LYS N . 16895 1 404 . 1 1 38 38 ILE H H 1 8.241 0.020 . 1 . . . . 30 ILE H . 16895 1 405 . 1 1 38 38 ILE HA H 1 3.406 0.020 . 1 . . . . 30 ILE HA . 16895 1 406 . 1 1 38 38 ILE HB H 1 2.257 0.020 . 1 . . . . 30 ILE HB . 16895 1 407 . 1 1 38 38 ILE HD11 H 1 0.800 0.020 . 1 . . . . 30 ILE HD1 . 16895 1 408 . 1 1 38 38 ILE HD12 H 1 0.800 0.020 . 1 . . . . 30 ILE HD1 . 16895 1 409 . 1 1 38 38 ILE HD13 H 1 0.800 0.020 . 1 . . . . 30 ILE HD1 . 16895 1 410 . 1 1 38 38 ILE HG12 H 1 1.923 0.020 . 2 . . . . 30 ILE HG12 . 16895 1 411 . 1 1 38 38 ILE HG13 H 1 0.605 0.020 . 2 . . . . 30 ILE HG13 . 16895 1 412 . 1 1 38 38 ILE HG21 H 1 0.608 0.020 . 1 . . . . 30 ILE HG2 . 16895 1 413 . 1 1 38 38 ILE HG22 H 1 0.608 0.020 . 1 . . . . 30 ILE HG2 . 16895 1 414 . 1 1 38 38 ILE HG23 H 1 0.608 0.020 . 1 . . . . 30 ILE HG2 . 16895 1 415 . 1 1 38 38 ILE C C 13 178.100 0.400 . 1 . . . . 30 ILE C . 16895 1 416 . 1 1 38 38 ILE CA C 13 66.188 0.400 . 1 . . . . 30 ILE CA . 16895 1 417 . 1 1 38 38 ILE CB C 13 36.768 0.400 . 1 . . . . 30 ILE CB . 16895 1 418 . 1 1 38 38 ILE CD1 C 13 15.100 0.400 . 1 . . . . 30 ILE CD1 . 16895 1 419 . 1 1 38 38 ILE CG1 C 13 31.118 0.400 . 1 . . . . 30 ILE CG1 . 16895 1 420 . 1 1 38 38 ILE CG2 C 13 17.043 0.400 . 1 . . . . 30 ILE CG2 . 16895 1 421 . 1 1 38 38 ILE N N 15 121.410 0.400 . 1 . . . . 30 ILE N . 16895 1 422 . 1 1 39 39 GLN H H 1 8.464 0.020 . 1 . . . . 31 GLN H . 16895 1 423 . 1 1 39 39 GLN HA H 1 3.727 0.020 . 1 . . . . 31 GLN HA . 16895 1 424 . 1 1 39 39 GLN HB2 H 1 2.392 0.020 . 2 . . . . 31 GLN HB2 . 16895 1 425 . 1 1 39 39 GLN HB3 H 1 1.864 0.020 . 2 . . . . 31 GLN HB3 . 16895 1 426 . 1 1 39 39 GLN HG2 H 1 2.180 0.020 . 2 . . . . 31 GLN HG2 . 16895 1 427 . 1 1 39 39 GLN HG3 H 1 1.824 0.020 . 2 . . . . 31 GLN HG3 . 16895 1 428 . 1 1 39 39 GLN C C 13 178.798 0.400 . 1 . . . . 31 GLN C . 16895 1 429 . 1 1 39 39 GLN CA C 13 59.954 0.400 . 1 . . . . 31 GLN CA . 16895 1 430 . 1 1 39 39 GLN CB C 13 27.560 0.400 . 1 . . . . 31 GLN CB . 16895 1 431 . 1 1 39 39 GLN CG C 13 33.777 0.400 . 1 . . . . 31 GLN CG . 16895 1 432 . 1 1 39 39 GLN N N 15 123.529 0.400 . 1 . . . . 31 GLN N . 16895 1 433 . 1 1 40 40 ASP H H 1 7.970 0.020 . 1 . . . . 32 ASP H . 16895 1 434 . 1 1 40 40 ASP HA H 1 4.239 0.020 . 1 . . . . 32 ASP HA . 16895 1 435 . 1 1 40 40 ASP HB2 H 1 2.747 0.020 . 2 . . . . 32 ASP HB2 . 16895 1 436 . 1 1 40 40 ASP HB3 H 1 2.657 0.020 . 2 . . . . 32 ASP HB3 . 16895 1 437 . 1 1 40 40 ASP C C 13 177.257 0.400 . 1 . . . . 32 ASP C . 16895 1 438 . 1 1 40 40 ASP CA C 13 57.432 0.400 . 1 . . . . 32 ASP CA . 16895 1 439 . 1 1 40 40 ASP CB C 13 40.994 0.400 . 1 . . . . 32 ASP CB . 16895 1 440 . 1 1 40 40 ASP N N 15 119.922 0.400 . 1 . . . . 32 ASP N . 16895 1 441 . 1 1 41 41 LYS H H 1 7.423 0.020 . 1 . . . . 33 LYS H . 16895 1 442 . 1 1 41 41 LYS HA H 1 4.204 0.020 . 1 . . . . 33 LYS HA . 16895 1 443 . 1 1 41 41 LYS HB2 H 1 1.916 0.020 . 2 . . . . 33 LYS HB2 . 16895 1 444 . 1 1 41 41 LYS HB3 H 1 1.754 0.020 . 2 . . . . 33 LYS HB3 . 16895 1 445 . 1 1 41 41 LYS HD2 H 1 1.617 0.020 . 2 . . . . 33 LYS HD2 . 16895 1 446 . 1 1 41 41 LYS HD3 H 1 1.617 0.020 . 2 . . . . 33 LYS HD3 . 16895 1 447 . 1 1 41 41 LYS HE2 H 1 3.073 0.020 . 2 . . . . 33 LYS HE2 . 16895 1 448 . 1 1 41 41 LYS HE3 H 1 3.020 0.020 . 2 . . . . 33 LYS HE3 . 16895 1 449 . 1 1 41 41 LYS HG2 H 1 1.511 0.020 . 2 . . . . 33 LYS HG2 . 16895 1 450 . 1 1 41 41 LYS HG3 H 1 1.511 0.020 . 2 . . . . 33 LYS HG3 . 16895 1 451 . 1 1 41 41 LYS C C 13 177.759 0.400 . 1 . . . . 33 LYS C . 16895 1 452 . 1 1 41 41 LYS CA C 13 58.245 0.400 . 1 . . . . 33 LYS CA . 16895 1 453 . 1 1 41 41 LYS CB C 13 33.916 0.400 . 1 . . . . 33 LYS CB . 16895 1 454 . 1 1 41 41 LYS CD C 13 28.784 0.400 . 1 . . . . 33 LYS CD . 16895 1 455 . 1 1 41 41 LYS CG C 13 25.231 0.400 . 1 . . . . 33 LYS CG . 16895 1 456 . 1 1 41 41 LYS N N 15 115.677 0.400 . 1 . . . . 33 LYS N . 16895 1 457 . 1 1 42 42 GLU H H 1 8.647 0.020 . 1 . . . . 34 GLU H . 16895 1 458 . 1 1 42 42 GLU HA H 1 4.471 0.020 . 1 . . . . 34 GLU HA . 16895 1 459 . 1 1 42 42 GLU HB2 H 1 2.168 0.020 . 2 . . . . 34 GLU HB2 . 16895 1 460 . 1 1 42 42 GLU HB3 H 1 1.591 0.020 . 2 . . . . 34 GLU HB3 . 16895 1 461 . 1 1 42 42 GLU HG2 H 1 2.059 0.020 . 2 . . . . 34 GLU HG2 . 16895 1 462 . 1 1 42 42 GLU HG3 H 1 2.059 0.020 . 2 . . . . 34 GLU HG3 . 16895 1 463 . 1 1 42 42 GLU C C 13 177.855 0.400 . 1 . . . . 34 GLU C . 16895 1 464 . 1 1 42 42 GLU CA C 13 55.257 0.400 . 1 . . . . 34 GLU CA . 16895 1 465 . 1 1 42 42 GLU CB C 13 33.214 0.400 . 1 . . . . 34 GLU CB . 16895 1 466 . 1 1 42 42 GLU CG C 13 36.444 0.400 . 1 . . . . 34 GLU CG . 16895 1 467 . 1 1 42 42 GLU N N 15 114.221 0.400 . 1 . . . . 34 GLU N . 16895 1 468 . 1 1 43 43 GLY H H 1 8.400 0.020 . 1 . . . . 35 GLY H . 16895 1 469 . 1 1 43 43 GLY HA2 H 1 4.044 0.020 . 2 . . . . 35 GLY HA2 . 16895 1 470 . 1 1 43 43 GLY HA3 H 1 3.816 0.020 . 2 . . . . 35 GLY HA3 . 16895 1 471 . 1 1 43 43 GLY C C 13 173.853 0.400 . 1 . . . . 35 GLY C . 16895 1 472 . 1 1 43 43 GLY CA C 13 45.888 0.400 . 1 . . . . 35 GLY CA . 16895 1 473 . 1 1 43 43 GLY N N 15 108.974 0.400 . 1 . . . . 35 GLY N . 16895 1 474 . 1 1 44 44 ILE H H 1 6.079 0.020 . 1 . . . . 36 ILE H . 16895 1 475 . 1 1 44 44 ILE HA H 1 4.295 0.020 . 1 . . . . 36 ILE HA . 16895 1 476 . 1 1 44 44 ILE HB H 1 1.328 0.020 . 1 . . . . 36 ILE HB . 16895 1 477 . 1 1 44 44 ILE HD11 H 1 0.691 0.020 . 1 . . . . 36 ILE HD1 . 16895 1 478 . 1 1 44 44 ILE HD12 H 1 0.691 0.020 . 1 . . . . 36 ILE HD1 . 16895 1 479 . 1 1 44 44 ILE HD13 H 1 0.691 0.020 . 1 . . . . 36 ILE HD1 . 16895 1 480 . 1 1 44 44 ILE HG12 H 1 1.300 0.020 . 2 . . . . 36 ILE HG12 . 16895 1 481 . 1 1 44 44 ILE HG13 H 1 0.993 0.020 . 2 . . . . 36 ILE HG13 . 16895 1 482 . 1 1 44 44 ILE HG21 H 1 0.833 0.020 . 1 . . . . 36 ILE HG2 . 16895 1 483 . 1 1 44 44 ILE HG22 H 1 0.833 0.020 . 1 . . . . 36 ILE HG2 . 16895 1 484 . 1 1 44 44 ILE HG23 H 1 0.833 0.020 . 1 . . . . 36 ILE HG2 . 16895 1 485 . 1 1 44 44 ILE CA C 13 57.718 0.400 . 1 . . . . 36 ILE CA . 16895 1 486 . 1 1 44 44 ILE CB C 13 40.363 0.400 . 1 . . . . 36 ILE CB . 16895 1 487 . 1 1 44 44 ILE CD1 C 13 13.477 0.400 . 1 . . . . 36 ILE CD1 . 16895 1 488 . 1 1 44 44 ILE CG1 C 13 26.890 0.400 . 1 . . . . 36 ILE CG1 . 16895 1 489 . 1 1 44 44 ILE CG2 C 13 17.739 0.400 . 1 . . . . 36 ILE CG2 . 16895 1 490 . 1 1 44 44 ILE N N 15 120.499 0.400 . 1 . . . . 36 ILE N . 16895 1 491 . 1 1 46 46 PRO HA H 1 4.034 0.020 . 1 . . . . 38 PRO HA . 16895 1 492 . 1 1 46 46 PRO HB2 H 1 2.143 0.020 . 2 . . . . 38 PRO HB2 . 16895 1 493 . 1 1 46 46 PRO HB3 H 1 1.944 0.020 . 2 . . . . 38 PRO HB3 . 16895 1 494 . 1 1 46 46 PRO HD2 H 1 3.658 0.020 . 2 . . . . 38 PRO HD2 . 16895 1 495 . 1 1 46 46 PRO HD3 H 1 3.658 0.020 . 2 . . . . 38 PRO HD3 . 16895 1 496 . 1 1 46 46 PRO HG2 H 1 2.082 0.020 . 2 . . . . 38 PRO HG2 . 16895 1 497 . 1 1 46 46 PRO HG3 H 1 1.546 0.020 . 2 . . . . 38 PRO HG3 . 16895 1 498 . 1 1 46 46 PRO C C 13 178.205 0.400 . 1 . . . . 38 PRO C . 16895 1 499 . 1 1 46 46 PRO CA C 13 66.064 0.400 . 1 . . . . 38 PRO CA . 16895 1 500 . 1 1 46 46 PRO CB C 13 32.650 0.400 . 1 . . . . 38 PRO CB . 16895 1 501 . 1 1 46 46 PRO CG C 13 27.546 0.400 . 1 . . . . 38 PRO CG . 16895 1 502 . 1 1 47 47 ASP H H 1 8.469 0.020 . 1 . . . . 39 ASP H . 16895 1 503 . 1 1 47 47 ASP HA H 1 4.306 0.020 . 1 . . . . 39 ASP HA . 16895 1 504 . 1 1 47 47 ASP HB2 H 1 2.657 0.020 . 2 . . . . 39 ASP HB2 . 16895 1 505 . 1 1 47 47 ASP HB3 H 1 2.580 0.020 . 2 . . . . 39 ASP HB3 . 16895 1 506 . 1 1 47 47 ASP C C 13 176.948 0.400 . 1 . . . . 39 ASP C . 16895 1 507 . 1 1 47 47 ASP CA C 13 55.661 0.400 . 1 . . . . 39 ASP CA . 16895 1 508 . 1 1 47 47 ASP CB C 13 39.694 0.400 . 1 . . . . 39 ASP CB . 16895 1 509 . 1 1 47 47 ASP N N 15 113.696 0.400 . 1 . . . . 39 ASP N . 16895 1 510 . 1 1 48 48 GLN H H 1 7.718 0.020 . 1 . . . . 40 GLN H . 16895 1 511 . 1 1 48 48 GLN HA H 1 4.339 0.020 . 1 . . . . 40 GLN HA . 16895 1 512 . 1 1 48 48 GLN HB2 H 1 2.323 0.020 . 2 . . . . 40 GLN HB2 . 16895 1 513 . 1 1 48 48 GLN HB3 H 1 1.716 0.020 . 2 . . . . 40 GLN HB3 . 16895 1 514 . 1 1 48 48 GLN HG2 H 1 2.292 0.020 . 2 . . . . 40 GLN HG2 . 16895 1 515 . 1 1 48 48 GLN HG3 H 1 2.292 0.020 . 2 . . . . 40 GLN HG3 . 16895 1 516 . 1 1 48 48 GLN C C 13 175.286 0.400 . 1 . . . . 40 GLN C . 16895 1 517 . 1 1 48 48 GLN CA C 13 55.477 0.400 . 1 . . . . 40 GLN CA . 16895 1 518 . 1 1 48 48 GLN CB C 13 29.899 0.400 . 1 . . . . 40 GLN CB . 16895 1 519 . 1 1 48 48 GLN CG C 13 34.282 0.400 . 1 . . . . 40 GLN CG . 16895 1 520 . 1 1 48 48 GLN N N 15 116.902 0.400 . 1 . . . . 40 GLN N . 16895 1 521 . 1 1 49 49 GLN H H 1 7.405 0.020 . 1 . . . . 41 GLN H . 16895 1 522 . 1 1 49 49 GLN HA H 1 4.108 0.020 . 1 . . . . 41 GLN HA . 16895 1 523 . 1 1 49 49 GLN HB2 H 1 1.834 0.020 . 2 . . . . 41 GLN HB2 . 16895 1 524 . 1 1 49 49 GLN HB3 H 1 1.834 0.020 . 2 . . . . 41 GLN HB3 . 16895 1 525 . 1 1 49 49 GLN HG2 H 1 2.217 0.020 . 2 . . . . 41 GLN HG2 . 16895 1 526 . 1 1 49 49 GLN HG3 H 1 2.217 0.020 . 2 . . . . 41 GLN HG3 . 16895 1 527 . 1 1 49 49 GLN C C 13 175.981 0.400 . 1 . . . . 41 GLN C . 16895 1 528 . 1 1 49 49 GLN CA C 13 56.633 0.400 . 1 . . . . 41 GLN CA . 16895 1 529 . 1 1 49 49 GLN CB C 13 31.323 0.400 . 1 . . . . 41 GLN CB . 16895 1 530 . 1 1 49 49 GLN CG C 13 33.984 0.400 . 1 . . . . 41 GLN CG . 16895 1 531 . 1 1 49 49 GLN N N 15 117.966 0.400 . 1 . . . . 41 GLN N . 16895 1 532 . 1 1 50 50 ARG H H 1 8.405 0.020 . 1 . . . . 42 ARG H . 16895 1 533 . 1 1 50 50 ARG HA H 1 4.382 0.020 . 1 . . . . 42 ARG HA . 16895 1 534 . 1 1 50 50 ARG HB2 H 1 1.619 0.020 . 2 . . . . 42 ARG HB2 . 16895 1 535 . 1 1 50 50 ARG HB3 H 1 1.542 0.020 . 2 . . . . 42 ARG HB3 . 16895 1 536 . 1 1 50 50 ARG HD2 H 1 3.012 0.020 . 2 . . . . 42 ARG HD2 . 16895 1 537 . 1 1 50 50 ARG HD3 H 1 3.012 0.020 . 2 . . . . 42 ARG HD3 . 16895 1 538 . 1 1 50 50 ARG HG2 H 1 1.400 0.020 . 2 . . . . 42 ARG HG2 . 16895 1 539 . 1 1 50 50 ARG HG3 H 1 1.308 0.020 . 2 . . . . 42 ARG HG3 . 16895 1 540 . 1 1 50 50 ARG C C 13 173.835 0.400 . 1 . . . . 42 ARG C . 16895 1 541 . 1 1 50 50 ARG CA C 13 55.051 0.400 . 1 . . . . 42 ARG CA . 16895 1 542 . 1 1 50 50 ARG CB C 13 31.604 0.400 . 1 . . . . 42 ARG CB . 16895 1 543 . 1 1 50 50 ARG CG C 13 26.960 0.400 . 1 . . . . 42 ARG CG . 16895 1 544 . 1 1 50 50 ARG N N 15 123.052 0.400 . 1 . . . . 42 ARG N . 16895 1 545 . 1 1 51 51 LEU H H 1 8.706 0.020 . 1 . . . . 43 LEU H . 16895 1 546 . 1 1 51 51 LEU HA H 1 5.300 0.020 . 1 . . . . 43 LEU HA . 16895 1 547 . 1 1 51 51 LEU HB2 H 1 1.458 0.020 . 2 . . . . 43 LEU HB2 . 16895 1 548 . 1 1 51 51 LEU HB3 H 1 1.067 0.020 . 2 . . . . 43 LEU HB3 . 16895 1 549 . 1 1 51 51 LEU HD11 H 1 0.712 0.020 . 2 . . . . 43 LEU HD1 . 16895 1 550 . 1 1 51 51 LEU HD12 H 1 0.712 0.020 . 2 . . . . 43 LEU HD1 . 16895 1 551 . 1 1 51 51 LEU HD13 H 1 0.712 0.020 . 2 . . . . 43 LEU HD1 . 16895 1 552 . 1 1 51 51 LEU HD21 H 1 0.675 0.020 . 2 . . . . 43 LEU HD2 . 16895 1 553 . 1 1 51 51 LEU HD22 H 1 0.675 0.020 . 2 . . . . 43 LEU HD2 . 16895 1 554 . 1 1 51 51 LEU HD23 H 1 0.675 0.020 . 2 . . . . 43 LEU HD2 . 16895 1 555 . 1 1 51 51 LEU HG H 1 1.364 0.020 . 1 . . . . 43 LEU HG . 16895 1 556 . 1 1 51 51 LEU C C 13 175.136 0.400 . 1 . . . . 43 LEU C . 16895 1 557 . 1 1 51 51 LEU CA C 13 52.945 0.400 . 1 . . . . 43 LEU CA . 16895 1 558 . 1 1 51 51 LEU CB C 13 45.703 0.400 . 1 . . . . 43 LEU CB . 16895 1 559 . 1 1 51 51 LEU CD1 C 13 24.226 0.400 . 1 . . . . 43 LEU CD1 . 16895 1 560 . 1 1 51 51 LEU CD2 C 13 26.591 0.400 . 1 . . . . 43 LEU CD2 . 16895 1 561 . 1 1 51 51 LEU CG C 13 27.150 0.400 . 1 . . . . 43 LEU CG . 16895 1 562 . 1 1 51 51 LEU N N 15 124.368 0.400 . 1 . . . . 43 LEU N . 16895 1 563 . 1 1 52 52 ILE H H 1 9.060 0.020 . 1 . . . . 44 ILE H . 16895 1 564 . 1 1 52 52 ILE HA H 1 4.840 0.020 . 1 . . . . 44 ILE HA . 16895 1 565 . 1 1 52 52 ILE HB H 1 1.653 0.020 . 1 . . . . 44 ILE HB . 16895 1 566 . 1 1 52 52 ILE HD11 H 1 0.581 0.020 . 1 . . . . 44 ILE HD1 . 16895 1 567 . 1 1 52 52 ILE HD12 H 1 0.581 0.020 . 1 . . . . 44 ILE HD1 . 16895 1 568 . 1 1 52 52 ILE HD13 H 1 0.581 0.020 . 1 . . . . 44 ILE HD1 . 16895 1 569 . 1 1 52 52 ILE HG12 H 1 1.251 0.020 . 2 . . . . 44 ILE HG12 . 16895 1 570 . 1 1 52 52 ILE HG13 H 1 0.954 0.020 . 2 . . . . 44 ILE HG13 . 16895 1 571 . 1 1 52 52 ILE HG21 H 1 0.586 0.020 . 1 . . . . 44 ILE HG2 . 16895 1 572 . 1 1 52 52 ILE HG22 H 1 0.586 0.020 . 1 . . . . 44 ILE HG2 . 16895 1 573 . 1 1 52 52 ILE HG23 H 1 0.586 0.020 . 1 . . . . 44 ILE HG2 . 16895 1 574 . 1 1 52 52 ILE C C 13 175.623 0.400 . 1 . . . . 44 ILE C . 16895 1 575 . 1 1 52 52 ILE CA C 13 58.948 0.400 . 1 . . . . 44 ILE CA . 16895 1 576 . 1 1 52 52 ILE CB C 13 41.206 0.400 . 1 . . . . 44 ILE CB . 16895 1 577 . 1 1 52 52 ILE CD1 C 13 12.752 0.400 . 1 . . . . 44 ILE CD1 . 16895 1 578 . 1 1 52 52 ILE CG1 C 13 27.831 0.400 . 1 . . . . 44 ILE CG1 . 16895 1 579 . 1 1 52 52 ILE CG2 C 13 17.550 0.400 . 1 . . . . 44 ILE CG2 . 16895 1 580 . 1 1 52 52 ILE N N 15 122.533 0.400 . 1 . . . . 44 ILE N . 16895 1 581 . 1 1 53 53 PHE H H 1 8.734 0.020 . 1 . . . . 45 PHE H . 16895 1 582 . 1 1 53 53 PHE HA H 1 5.100 0.020 . 1 . . . . 45 PHE HA . 16895 1 583 . 1 1 53 53 PHE HB2 H 1 2.928 0.020 . 2 . . . . 45 PHE HB2 . 16895 1 584 . 1 1 53 53 PHE HB3 H 1 2.709 0.020 . 2 . . . . 45 PHE HB3 . 16895 1 585 . 1 1 53 53 PHE HD1 H 1 7.263 0.020 . 1 . . . . 45 PHE HD1 . 16895 1 586 . 1 1 53 53 PHE HD2 H 1 7.263 0.020 . 1 . . . . 45 PHE HD2 . 16895 1 587 . 1 1 53 53 PHE HE1 H 1 7.408 0.020 . 1 . . . . 45 PHE HE1 . 16895 1 588 . 1 1 53 53 PHE HE2 H 1 7.408 0.020 . 1 . . . . 45 PHE HE2 . 16895 1 589 . 1 1 53 53 PHE C C 13 174.582 0.400 . 1 . . . . 45 PHE C . 16895 1 590 . 1 1 53 53 PHE CA C 13 56.322 0.400 . 1 . . . . 45 PHE CA . 16895 1 591 . 1 1 53 53 PHE CB C 13 43.538 0.400 . 1 . . . . 45 PHE CB . 16895 1 592 . 1 1 53 53 PHE N N 15 124.841 0.400 . 1 . . . . 45 PHE N . 16895 1 593 . 1 1 54 54 ALA H H 1 8.943 0.020 . 1 . . . . 46 ALA H . 16895 1 594 . 1 1 54 54 ALA HA H 1 3.609 0.020 . 1 . . . . 46 ALA HA . 16895 1 595 . 1 1 54 54 ALA HB1 H 1 0.778 0.020 . 1 . . . . 46 ALA HB . 16895 1 596 . 1 1 54 54 ALA HB2 H 1 0.778 0.020 . 1 . . . . 46 ALA HB . 16895 1 597 . 1 1 54 54 ALA HB3 H 1 0.778 0.020 . 1 . . . . 46 ALA HB . 16895 1 598 . 1 1 54 54 ALA C C 13 177.254 0.400 . 1 . . . . 46 ALA C . 16895 1 599 . 1 1 54 54 ALA CA C 13 52.468 0.400 . 1 . . . . 46 ALA CA . 16895 1 600 . 1 1 54 54 ALA CB C 13 16.348 0.400 . 1 . . . . 46 ALA CB . 16895 1 601 . 1 1 54 54 ALA N N 15 133.106 0.400 . 1 . . . . 46 ALA N . 16895 1 602 . 1 1 55 55 GLY H H 1 8.068 0.020 . 1 . . . . 47 GLY H . 16895 1 603 . 1 1 55 55 GLY HA2 H 1 3.997 0.020 . 2 . . . . 47 GLY HA2 . 16895 1 604 . 1 1 55 55 GLY HA3 H 1 3.342 0.020 . 2 . . . . 47 GLY HA3 . 16895 1 605 . 1 1 55 55 GLY C C 13 173.596 0.400 . 1 . . . . 47 GLY C . 16895 1 606 . 1 1 55 55 GLY CA C 13 45.241 0.400 . 1 . . . . 47 GLY CA . 16895 1 607 . 1 1 55 55 GLY N N 15 102.540 0.400 . 1 . . . . 47 GLY N . 16895 1 608 . 1 1 56 56 LYS H H 1 7.859 0.020 . 1 . . . . 48 LYS H . 16895 1 609 . 1 1 56 56 LYS HA H 1 4.514 0.020 . 1 . . . . 48 LYS HA . 16895 1 610 . 1 1 56 56 LYS HB2 H 1 1.794 0.020 . 2 . . . . 48 LYS HB2 . 16895 1 611 . 1 1 56 56 LYS HB3 H 1 1.794 0.020 . 2 . . . . 48 LYS HB3 . 16895 1 612 . 1 1 56 56 LYS HE2 H 1 3.065 0.020 . 2 . . . . 48 LYS HE2 . 16895 1 613 . 1 1 56 56 LYS HE3 H 1 3.065 0.020 . 2 . . . . 48 LYS HE3 . 16895 1 614 . 1 1 56 56 LYS HG2 H 1 1.412 0.020 . 2 . . . . 48 LYS HG2 . 16895 1 615 . 1 1 56 56 LYS HG3 H 1 1.412 0.020 . 2 . . . . 48 LYS HG3 . 16895 1 616 . 1 1 56 56 LYS C C 13 174.568 0.400 . 1 . . . . 48 LYS C . 16895 1 617 . 1 1 56 56 LYS CA C 13 54.512 0.400 . 1 . . . . 48 LYS CA . 16895 1 618 . 1 1 56 56 LYS CB C 13 34.352 0.400 . 1 . . . . 48 LYS CB . 16895 1 619 . 1 1 56 56 LYS CG C 13 24.361 0.400 . 1 . . . . 48 LYS CG . 16895 1 620 . 1 1 56 56 LYS N N 15 121.847 0.400 . 1 . . . . 48 LYS N . 16895 1 621 . 1 1 57 57 GLN H H 1 8.599 0.020 . 1 . . . . 49 GLN H . 16895 1 622 . 1 1 57 57 GLN HA H 1 4.409 0.020 . 1 . . . . 49 GLN HA . 16895 1 623 . 1 1 57 57 GLN HB2 H 1 1.896 0.020 . 2 . . . . 49 GLN HB2 . 16895 1 624 . 1 1 57 57 GLN HB3 H 1 1.896 0.020 . 2 . . . . 49 GLN HB3 . 16895 1 625 . 1 1 57 57 GLN HG2 H 1 2.150 0.020 . 2 . . . . 49 GLN HG2 . 16895 1 626 . 1 1 57 57 GLN HG3 H 1 2.150 0.020 . 2 . . . . 49 GLN HG3 . 16895 1 627 . 1 1 57 57 GLN C C 13 175.576 0.400 . 1 . . . . 49 GLN C . 16895 1 628 . 1 1 57 57 GLN CA C 13 55.891 0.400 . 1 . . . . 49 GLN CA . 16895 1 629 . 1 1 57 57 GLN CB C 13 28.823 0.400 . 1 . . . . 49 GLN CB . 16895 1 630 . 1 1 57 57 GLN CG C 13 34.551 0.400 . 1 . . . . 49 GLN CG . 16895 1 631 . 1 1 57 57 GLN N N 15 123.160 0.400 . 1 . . . . 49 GLN N . 16895 1 632 . 1 1 58 58 LEU H H 1 8.482 0.020 . 1 . . . . 50 LEU H . 16895 1 633 . 1 1 58 58 LEU HA H 1 4.056 0.020 . 1 . . . . 50 LEU HA . 16895 1 634 . 1 1 58 58 LEU HB2 H 1 1.410 0.020 . 2 . . . . 50 LEU HB2 . 16895 1 635 . 1 1 58 58 LEU HB3 H 1 0.974 0.020 . 2 . . . . 50 LEU HB3 . 16895 1 636 . 1 1 58 58 LEU HD11 H 1 0.432 0.020 . 2 . . . . 50 LEU HD1 . 16895 1 637 . 1 1 58 58 LEU HD12 H 1 0.432 0.020 . 2 . . . . 50 LEU HD1 . 16895 1 638 . 1 1 58 58 LEU HD13 H 1 0.432 0.020 . 2 . . . . 50 LEU HD1 . 16895 1 639 . 1 1 58 58 LEU HD21 H 1 -0.250 0.020 . 2 . . . . 50 LEU HD2 . 16895 1 640 . 1 1 58 58 LEU HD22 H 1 -0.250 0.020 . 2 . . . . 50 LEU HD2 . 16895 1 641 . 1 1 58 58 LEU HD23 H 1 -0.250 0.020 . 2 . . . . 50 LEU HD2 . 16895 1 642 . 1 1 58 58 LEU HG H 1 1.441 0.020 . 1 . . . . 50 LEU HG . 16895 1 643 . 1 1 58 58 LEU C C 13 176.540 0.400 . 1 . . . . 50 LEU C . 16895 1 644 . 1 1 58 58 LEU CA C 13 54.083 0.400 . 1 . . . . 50 LEU CA . 16895 1 645 . 1 1 58 58 LEU CB C 13 41.529 0.400 . 1 . . . . 50 LEU CB . 16895 1 646 . 1 1 58 58 LEU CD1 C 13 25.956 0.400 . 1 . . . . 50 LEU CD1 . 16895 1 647 . 1 1 58 58 LEU CD2 C 13 19.444 0.400 . 1 . . . . 50 LEU CD2 . 16895 1 648 . 1 1 58 58 LEU CG C 13 25.770 0.400 . 1 . . . . 50 LEU CG . 16895 1 649 . 1 1 58 58 LEU N N 15 125.902 0.400 . 1 . . . . 50 LEU N . 16895 1 650 . 1 1 59 59 GLU H H 1 8.398 0.020 . 1 . . . . 51 GLU H . 16895 1 651 . 1 1 59 59 GLU HA H 1 4.402 0.020 . 1 . . . . 51 GLU HA . 16895 1 652 . 1 1 59 59 GLU HB2 H 1 2.136 0.020 . 2 . . . . 51 GLU HB2 . 16895 1 653 . 1 1 59 59 GLU HB3 H 1 1.908 0.020 . 2 . . . . 51 GLU HB3 . 16895 1 654 . 1 1 59 59 GLU HG2 H 1 2.325 0.020 . 2 . . . . 51 GLU HG2 . 16895 1 655 . 1 1 59 59 GLU HG3 H 1 2.325 0.020 . 2 . . . . 51 GLU HG3 . 16895 1 656 . 1 1 59 59 GLU C C 13 175.667 0.400 . 1 . . . . 51 GLU C . 16895 1 657 . 1 1 59 59 GLU CA C 13 55.897 0.400 . 1 . . . . 51 GLU CA . 16895 1 658 . 1 1 59 59 GLU CB C 13 31.854 0.400 . 1 . . . . 51 GLU CB . 16895 1 659 . 1 1 59 59 GLU CG C 13 36.397 0.400 . 1 . . . . 51 GLU CG . 16895 1 660 . 1 1 59 59 GLU N N 15 123.124 0.400 . 1 . . . . 51 GLU N . 16895 1 661 . 1 1 60 60 ASP H H 1 8.114 0.020 . 1 . . . . 52 ASP H . 16895 1 662 . 1 1 60 60 ASP HA H 1 4.269 0.020 . 1 . . . . 52 ASP HA . 16895 1 663 . 1 1 60 60 ASP HB2 H 1 2.525 0.020 . 2 . . . . 52 ASP HB2 . 16895 1 664 . 1 1 60 60 ASP HB3 H 1 2.426 0.020 . 2 . . . . 52 ASP HB3 . 16895 1 665 . 1 1 60 60 ASP CA C 13 57.052 0.400 . 1 . . . . 52 ASP CA . 16895 1 666 . 1 1 60 60 ASP CB C 13 40.756 0.400 . 1 . . . . 52 ASP CB . 16895 1 667 . 1 1 60 60 ASP N N 15 120.336 0.400 . 1 . . . . 52 ASP N . 16895 1 668 . 1 1 61 61 GLY HA2 H 1 3.995 0.020 . 2 . . . . 53 GLY HA2 . 16895 1 669 . 1 1 61 61 GLY HA3 H 1 3.834 0.020 . 2 . . . . 53 GLY HA3 . 16895 1 670 . 1 1 61 61 GLY C C 13 174.538 0.400 . 1 . . . . 53 GLY C . 16895 1 671 . 1 1 61 61 GLY CA C 13 45.041 0.400 . 1 . . . . 53 GLY CA . 16895 1 672 . 1 1 62 62 ARG H H 1 7.354 0.020 . 1 . . . . 54 ARG H . 16895 1 673 . 1 1 62 62 ARG HA H 1 4.638 0.020 . 1 . . . . 54 ARG HA . 16895 1 674 . 1 1 62 62 ARG HB2 H 1 2.023 0.020 . 2 . . . . 54 ARG HB2 . 16895 1 675 . 1 1 62 62 ARG HB3 H 1 1.499 0.020 . 2 . . . . 54 ARG HB3 . 16895 1 676 . 1 1 62 62 ARG HD2 H 1 2.940 0.020 . 2 . . . . 54 ARG HD2 . 16895 1 677 . 1 1 62 62 ARG HD3 H 1 2.940 0.020 . 2 . . . . 54 ARG HD3 . 16895 1 678 . 1 1 62 62 ARG HG2 H 1 1.622 0.020 . 2 . . . . 54 ARG HG2 . 16895 1 679 . 1 1 62 62 ARG HG3 H 1 1.507 0.020 . 2 . . . . 54 ARG HG3 . 16895 1 680 . 1 1 62 62 ARG C C 13 175.466 0.400 . 1 . . . . 54 ARG C . 16895 1 681 . 1 1 62 62 ARG CA C 13 54.423 0.400 . 1 . . . . 54 ARG CA . 16895 1 682 . 1 1 62 62 ARG CB C 13 32.588 0.400 . 1 . . . . 54 ARG CB . 16895 1 683 . 1 1 62 62 ARG CG C 13 27.545 0.400 . 1 . . . . 54 ARG CG . 16895 1 684 . 1 1 62 62 ARG N N 15 119.303 0.400 . 1 . . . . 54 ARG N . 16895 1 685 . 1 1 63 63 THR H H 1 8.457 0.020 . 1 . . . . 55 THR H . 16895 1 686 . 1 1 63 63 THR HA H 1 5.060 0.020 . 1 . . . . 55 THR HA . 16895 1 687 . 1 1 63 63 THR HB H 1 4.460 0.020 . 1 . . . . 55 THR HB . 16895 1 688 . 1 1 63 63 THR HG21 H 1 1.073 0.020 . 1 . . . . 55 THR HG2 . 16895 1 689 . 1 1 63 63 THR HG22 H 1 1.073 0.020 . 1 . . . . 55 THR HG2 . 16895 1 690 . 1 1 63 63 THR HG23 H 1 1.073 0.020 . 1 . . . . 55 THR HG2 . 16895 1 691 . 1 1 63 63 THR C C 13 176.212 0.400 . 1 . . . . 55 THR C . 16895 1 692 . 1 1 63 63 THR CA C 13 59.740 0.400 . 1 . . . . 55 THR CA . 16895 1 693 . 1 1 63 63 THR CB C 13 71.952 0.400 . 1 . . . . 55 THR CB . 16895 1 694 . 1 1 63 63 THR CG2 C 13 22.261 0.400 . 1 . . . . 55 THR CG2 . 16895 1 695 . 1 1 63 63 THR N N 15 109.145 0.400 . 1 . . . . 55 THR N . 16895 1 696 . 1 1 64 64 LEU H H 1 8.189 0.020 . 1 . . . . 56 LEU H . 16895 1 697 . 1 1 64 64 LEU HA H 1 3.915 0.020 . 1 . . . . 56 LEU HA . 16895 1 698 . 1 1 64 64 LEU HB2 H 1 1.973 0.020 . 2 . . . . 56 LEU HB2 . 16895 1 699 . 1 1 64 64 LEU HB3 H 1 1.105 0.020 . 2 . . . . 56 LEU HB3 . 16895 1 700 . 1 1 64 64 LEU HD11 H 1 0.670 0.020 . 2 . . . . 56 LEU HD1 . 16895 1 701 . 1 1 64 64 LEU HD12 H 1 0.670 0.020 . 2 . . . . 56 LEU HD1 . 16895 1 702 . 1 1 64 64 LEU HD13 H 1 0.670 0.020 . 2 . . . . 56 LEU HD1 . 16895 1 703 . 1 1 64 64 LEU HD21 H 1 0.532 0.020 . 2 . . . . 56 LEU HD2 . 16895 1 704 . 1 1 64 64 LEU HD22 H 1 0.532 0.020 . 2 . . . . 56 LEU HD2 . 16895 1 705 . 1 1 64 64 LEU HD23 H 1 0.532 0.020 . 2 . . . . 56 LEU HD2 . 16895 1 706 . 1 1 64 64 LEU HG H 1 1.699 0.020 . 1 . . . . 56 LEU HG . 16895 1 707 . 1 1 64 64 LEU C C 13 180.556 0.400 . 1 . . . . 56 LEU C . 16895 1 708 . 1 1 64 64 LEU CA C 13 58.433 0.400 . 1 . . . . 56 LEU CA . 16895 1 709 . 1 1 64 64 LEU CB C 13 40.236 0.400 . 1 . . . . 56 LEU CB . 16895 1 710 . 1 1 64 64 LEU CD1 C 13 26.599 0.400 . 1 . . . . 56 LEU CD1 . 16895 1 711 . 1 1 64 64 LEU CD2 C 13 23.005 0.400 . 1 . . . . 56 LEU CD2 . 16895 1 712 . 1 1 64 64 LEU CG C 13 26.513 0.400 . 1 . . . . 56 LEU CG . 16895 1 713 . 1 1 64 64 LEU N N 15 118.138 0.400 . 1 . . . . 56 LEU N . 16895 1 714 . 1 1 65 65 SER H H 1 8.371 0.020 . 1 . . . . 57 SER H . 16895 1 715 . 1 1 65 65 SER HA H 1 4.146 0.020 . 1 . . . . 57 SER HA . 16895 1 716 . 1 1 65 65 SER HB2 H 1 3.751 0.020 . 2 . . . . 57 SER HB2 . 16895 1 717 . 1 1 65 65 SER HB3 H 1 3.664 0.020 . 2 . . . . 57 SER HB3 . 16895 1 718 . 1 1 65 65 SER C C 13 178.558 0.400 . 1 . . . . 57 SER C . 16895 1 719 . 1 1 65 65 SER CA C 13 60.910 0.400 . 1 . . . . 57 SER CA . 16895 1 720 . 1 1 65 65 SER CB C 13 62.505 0.400 . 1 . . . . 57 SER CB . 16895 1 721 . 1 1 65 65 SER N N 15 112.238 0.400 . 1 . . . . 57 SER N . 16895 1 722 . 1 1 66 66 GLU H H 1 7.775 0.020 . 1 . . . . 58 GLU H . 16895 1 723 . 1 1 66 66 GLU HA H 1 3.888 0.020 . 1 . . . . 58 GLU HA . 16895 1 724 . 1 1 66 66 GLU HB2 H 1 2.059 0.020 . 2 . . . . 58 GLU HB2 . 16895 1 725 . 1 1 66 66 GLU HB3 H 1 1.683 0.020 . 2 . . . . 58 GLU HB3 . 16895 1 726 . 1 1 66 66 GLU HG2 H 1 2.199 0.020 . 2 . . . . 58 GLU HG2 . 16895 1 727 . 1 1 66 66 GLU HG3 H 1 2.059 0.020 . 2 . . . . 58 GLU HG3 . 16895 1 728 . 1 1 66 66 GLU C C 13 177.690 0.400 . 1 . . . . 58 GLU C . 16895 1 729 . 1 1 66 66 GLU CA C 13 59.178 0.400 . 1 . . . . 58 GLU CA . 16895 1 730 . 1 1 66 66 GLU CB C 13 29.413 0.400 . 1 . . . . 58 GLU CB . 16895 1 731 . 1 1 66 66 GLU CG C 13 38.039 0.400 . 1 . . . . 58 GLU CG . 16895 1 732 . 1 1 66 66 GLU N N 15 123.581 0.400 . 1 . . . . 58 GLU N . 16895 1 733 . 1 1 67 67 TYR H H 1 7.294 0.020 . 1 . . . . 59 TYR H . 16895 1 734 . 1 1 67 67 TYR HA H 1 4.594 0.020 . 1 . . . . 59 TYR HA . 16895 1 735 . 1 1 67 67 TYR HB2 H 1 3.342 0.020 . 2 . . . . 59 TYR HB2 . 16895 1 736 . 1 1 67 67 TYR HB3 H 1 2.483 0.020 . 2 . . . . 59 TYR HB3 . 16895 1 737 . 1 1 67 67 TYR HD1 H 1 7.097 0.020 . 1 . . . . 59 TYR HD1 . 16895 1 738 . 1 1 67 67 TYR HD2 H 1 7.097 0.020 . 1 . . . . 59 TYR HD2 . 16895 1 739 . 1 1 67 67 TYR HE1 H 1 6.798 0.020 . 1 . . . . 59 TYR HE1 . 16895 1 740 . 1 1 67 67 TYR HE2 H 1 6.798 0.020 . 1 . . . . 59 TYR HE2 . 16895 1 741 . 1 1 67 67 TYR C C 13 174.683 0.400 . 1 . . . . 59 TYR C . 16895 1 742 . 1 1 67 67 TYR CA C 13 58.399 0.400 . 1 . . . . 59 TYR CA . 16895 1 743 . 1 1 67 67 TYR CB C 13 39.769 0.400 . 1 . . . . 59 TYR CB . 16895 1 744 . 1 1 67 67 TYR N N 15 116.448 0.400 . 1 . . . . 59 TYR N . 16895 1 745 . 1 1 68 68 ASN H H 1 8.044 0.020 . 1 . . . . 60 ASN H . 16895 1 746 . 1 1 68 68 ASN HA H 1 4.244 0.020 . 1 . . . . 60 ASN HA . 16895 1 747 . 1 1 68 68 ASN HB2 H 1 3.210 0.020 . 2 . . . . 60 ASN HB2 . 16895 1 748 . 1 1 68 68 ASN HB3 H 1 2.732 0.020 . 2 . . . . 60 ASN HB3 . 16895 1 749 . 1 1 68 68 ASN C C 13 174.109 0.400 . 1 . . . . 60 ASN C . 16895 1 750 . 1 1 68 68 ASN CA C 13 54.110 0.400 . 1 . . . . 60 ASN CA . 16895 1 751 . 1 1 68 68 ASN CB C 13 37.180 0.400 . 1 . . . . 60 ASN CB . 16895 1 752 . 1 1 68 68 ASN N N 15 115.583 0.400 . 1 . . . . 60 ASN N . 16895 1 753 . 1 1 69 69 ILE H H 1 7.200 0.020 . 1 . . . . 61 ILE H . 16895 1 754 . 1 1 69 69 ILE HA H 1 3.279 0.020 . 1 . . . . 61 ILE HA . 16895 1 755 . 1 1 69 69 ILE HB H 1 1.296 0.020 . 1 . . . . 61 ILE HB . 16895 1 756 . 1 1 69 69 ILE HD11 H 1 0.315 0.020 . 1 . . . . 61 ILE HD1 . 16895 1 757 . 1 1 69 69 ILE HD12 H 1 0.315 0.020 . 1 . . . . 61 ILE HD1 . 16895 1 758 . 1 1 69 69 ILE HD13 H 1 0.315 0.020 . 1 . . . . 61 ILE HD1 . 16895 1 759 . 1 1 69 69 ILE HG12 H 1 0.982 0.020 . 2 . . . . 61 ILE HG12 . 16895 1 760 . 1 1 69 69 ILE HG13 H 1 -0.481 0.020 . 2 . . . . 61 ILE HG13 . 16895 1 761 . 1 1 69 69 ILE HG21 H 1 0.393 0.020 . 1 . . . . 61 ILE HG2 . 16895 1 762 . 1 1 69 69 ILE HG22 H 1 0.393 0.020 . 1 . . . . 61 ILE HG2 . 16895 1 763 . 1 1 69 69 ILE HG23 H 1 0.393 0.020 . 1 . . . . 61 ILE HG2 . 16895 1 764 . 1 1 69 69 ILE C C 13 174.251 0.400 . 1 . . . . 61 ILE C . 16895 1 765 . 1 1 69 69 ILE CA C 13 59.802 0.400 . 1 . . . . 61 ILE CA . 16895 1 766 . 1 1 69 69 ILE CB C 13 36.628 0.400 . 1 . . . . 61 ILE CB . 16895 1 767 . 1 1 69 69 ILE CD1 C 13 14.302 0.400 . 1 . . . . 61 ILE CD1 . 16895 1 768 . 1 1 69 69 ILE CG1 C 13 28.112 0.400 . 1 . . . . 61 ILE CG1 . 16895 1 769 . 1 1 69 69 ILE CG2 C 13 17.322 0.400 . 1 . . . . 61 ILE CG2 . 16895 1 770 . 1 1 69 69 ILE N N 15 119.110 0.400 . 1 . . . . 61 ILE N . 16895 1 771 . 1 1 70 70 GLN H H 1 7.571 0.020 . 1 . . . . 62 GLN H . 16895 1 772 . 1 1 70 70 GLN HA H 1 4.411 0.020 . 1 . . . . 62 GLN HA . 16895 1 773 . 1 1 70 70 GLN HB2 H 1 2.156 0.020 . 2 . . . . 62 GLN HB2 . 16895 1 774 . 1 1 70 70 GLN HB3 H 1 1.777 0.020 . 2 . . . . 62 GLN HB3 . 16895 1 775 . 1 1 70 70 GLN HG2 H 1 2.235 0.020 . 2 . . . . 62 GLN HG2 . 16895 1 776 . 1 1 70 70 GLN HG3 H 1 2.235 0.020 . 2 . . . . 62 GLN HG3 . 16895 1 777 . 1 1 70 70 GLN C C 13 175.492 0.400 . 1 . . . . 62 GLN C . 16895 1 778 . 1 1 70 70 GLN CA C 13 53.469 0.400 . 1 . . . . 62 GLN CA . 16895 1 779 . 1 1 70 70 GLN CB C 13 31.460 0.400 . 1 . . . . 62 GLN CB . 16895 1 780 . 1 1 70 70 GLN CG C 13 36.424 0.400 . 1 . . . . 62 GLN CG . 16895 1 781 . 1 1 70 70 GLN N N 15 124.832 0.400 . 1 . . . . 62 GLN N . 16895 1 782 . 1 1 71 71 LYS H H 1 8.367 0.020 . 1 . . . . 63 LYS H . 16895 1 783 . 1 1 71 71 LYS HA H 1 3.867 0.020 . 1 . . . . 63 LYS HA . 16895 1 784 . 1 1 71 71 LYS HB2 H 1 1.945 0.020 . 2 . . . . 63 LYS HB2 . 16895 1 785 . 1 1 71 71 LYS HB3 H 1 1.794 0.020 . 2 . . . . 63 LYS HB3 . 16895 1 786 . 1 1 71 71 LYS HD2 H 1 1.661 0.020 . 2 . . . . 63 LYS HD2 . 16895 1 787 . 1 1 71 71 LYS HD3 H 1 1.661 0.020 . 2 . . . . 63 LYS HD3 . 16895 1 788 . 1 1 71 71 LYS HE2 H 1 2.940 0.020 . 2 . . . . 63 LYS HE2 . 16895 1 789 . 1 1 71 71 LYS HE3 H 1 2.940 0.020 . 2 . . . . 63 LYS HE3 . 16895 1 790 . 1 1 71 71 LYS HG2 H 1 1.423 0.020 . 2 . . . . 63 LYS HG2 . 16895 1 791 . 1 1 71 71 LYS HG3 H 1 1.423 0.020 . 2 . . . . 63 LYS HG3 . 16895 1 792 . 1 1 71 71 LYS C C 13 175.976 0.400 . 1 . . . . 63 LYS C . 16895 1 793 . 1 1 71 71 LYS CA C 13 57.958 0.400 . 1 . . . . 63 LYS CA . 16895 1 794 . 1 1 71 71 LYS CB C 13 32.487 0.400 . 1 . . . . 63 LYS CB . 16895 1 795 . 1 1 71 71 LYS CD C 13 29.658 0.400 . 1 . . . . 63 LYS CD . 16895 1 796 . 1 1 71 71 LYS CG C 13 24.277 0.400 . 1 . . . . 63 LYS CG . 16895 1 797 . 1 1 71 71 LYS N N 15 120.211 0.400 . 1 . . . . 63 LYS N . 16895 1 798 . 1 1 72 72 GLU H H 1 9.231 0.020 . 1 . . . . 64 GLU H . 16895 1 799 . 1 1 72 72 GLU HA H 1 3.241 0.020 . 1 . . . . 64 GLU HA . 16895 1 800 . 1 1 72 72 GLU HB2 H 1 2.443 0.020 . 2 . . . . 64 GLU HB2 . 16895 1 801 . 1 1 72 72 GLU HB3 H 1 2.309 0.020 . 2 . . . . 64 GLU HB3 . 16895 1 802 . 1 1 72 72 GLU HG2 H 1 2.141 0.020 . 2 . . . . 64 GLU HG2 . 16895 1 803 . 1 1 72 72 GLU HG3 H 1 2.141 0.020 . 2 . . . . 64 GLU HG3 . 16895 1 804 . 1 1 72 72 GLU C C 13 175.160 0.400 . 1 . . . . 64 GLU C . 16895 1 805 . 1 1 72 72 GLU CA C 13 58.299 0.400 . 1 . . . . 64 GLU CA . 16895 1 806 . 1 1 72 72 GLU CB C 13 25.987 0.400 . 1 . . . . 64 GLU CB . 16895 1 807 . 1 1 72 72 GLU CG C 13 37.366 0.400 . 1 . . . . 64 GLU CG . 16895 1 808 . 1 1 72 72 GLU N N 15 115.107 0.400 . 1 . . . . 64 GLU N . 16895 1 809 . 1 1 73 73 SER H H 1 7.691 0.020 . 1 . . . . 65 SER H . 16895 1 810 . 1 1 73 73 SER HA H 1 4.521 0.020 . 1 . . . . 65 SER HA . 16895 1 811 . 1 1 73 73 SER HB2 H 1 3.814 0.020 . 2 . . . . 65 SER HB2 . 16895 1 812 . 1 1 73 73 SER HB3 H 1 3.577 0.020 . 2 . . . . 65 SER HB3 . 16895 1 813 . 1 1 73 73 SER C C 13 171.911 0.400 . 1 . . . . 65 SER C . 16895 1 814 . 1 1 73 73 SER CA C 13 61.081 0.400 . 1 . . . . 65 SER CA . 16895 1 815 . 1 1 73 73 SER CB C 13 64.760 0.400 . 1 . . . . 65 SER CB . 16895 1 816 . 1 1 73 73 SER N N 15 115.287 0.400 . 1 . . . . 65 SER N . 16895 1 817 . 1 1 74 74 THR H H 1 8.623 0.020 . 1 . . . . 66 THR H . 16895 1 818 . 1 1 74 74 THR HA H 1 5.201 0.020 . 1 . . . . 66 THR HA . 16895 1 819 . 1 1 74 74 THR HB H 1 3.965 0.020 . 1 . . . . 66 THR HB . 16895 1 820 . 1 1 74 74 THR HG21 H 1 0.840 0.020 . 1 . . . . 66 THR HG2 . 16895 1 821 . 1 1 74 74 THR HG22 H 1 0.840 0.020 . 1 . . . . 66 THR HG2 . 16895 1 822 . 1 1 74 74 THR HG23 H 1 0.840 0.020 . 1 . . . . 66 THR HG2 . 16895 1 823 . 1 1 74 74 THR C C 13 173.564 0.400 . 1 . . . . 66 THR C . 16895 1 824 . 1 1 74 74 THR CA C 13 62.393 0.400 . 1 . . . . 66 THR CA . 16895 1 825 . 1 1 74 74 THR CB C 13 70.175 0.400 . 1 . . . . 66 THR CB . 16895 1 826 . 1 1 74 74 THR CG2 C 13 21.406 0.400 . 1 . . . . 66 THR CG2 . 16895 1 827 . 1 1 74 74 THR N N 15 117.465 0.400 . 1 . . . . 66 THR N . 16895 1 828 . 1 1 75 75 LEU H H 1 9.346 0.020 . 1 . . . . 67 LEU H . 16895 1 829 . 1 1 75 75 LEU HA H 1 4.989 0.020 . 1 . . . . 67 LEU HA . 16895 1 830 . 1 1 75 75 LEU HB2 H 1 1.531 0.020 . 2 . . . . 67 LEU HB2 . 16895 1 831 . 1 1 75 75 LEU HB3 H 1 1.531 0.020 . 2 . . . . 67 LEU HB3 . 16895 1 832 . 1 1 75 75 LEU HD11 H 1 0.597 0.020 . 2 . . . . 67 LEU HD1 . 16895 1 833 . 1 1 75 75 LEU HD12 H 1 0.597 0.020 . 2 . . . . 67 LEU HD1 . 16895 1 834 . 1 1 75 75 LEU HD13 H 1 0.597 0.020 . 2 . . . . 67 LEU HD1 . 16895 1 835 . 1 1 75 75 LEU HD21 H 1 0.559 0.020 . 2 . . . . 67 LEU HD2 . 16895 1 836 . 1 1 75 75 LEU HD22 H 1 0.559 0.020 . 2 . . . . 67 LEU HD2 . 16895 1 837 . 1 1 75 75 LEU HD23 H 1 0.559 0.020 . 2 . . . . 67 LEU HD2 . 16895 1 838 . 1 1 75 75 LEU HG H 1 1.671 0.020 . 1 . . . . 67 LEU HG . 16895 1 839 . 1 1 75 75 LEU C C 13 175.034 0.400 . 1 . . . . 67 LEU C . 16895 1 840 . 1 1 75 75 LEU CA C 13 53.758 0.400 . 1 . . . . 67 LEU CA . 16895 1 841 . 1 1 75 75 LEU CB C 13 44.443 0.400 . 1 . . . . 67 LEU CB . 16895 1 842 . 1 1 75 75 LEU CD1 C 13 24.908 0.400 . 1 . . . . 67 LEU CD1 . 16895 1 843 . 1 1 75 75 LEU CD2 C 13 25.255 0.400 . 1 . . . . 67 LEU CD2 . 16895 1 844 . 1 1 75 75 LEU CG C 13 29.635 0.400 . 1 . . . . 67 LEU CG . 16895 1 845 . 1 1 75 75 LEU N N 15 127.963 0.400 . 1 . . . . 67 LEU N . 16895 1 846 . 1 1 76 76 HIS H H 1 9.137 0.020 . 1 . . . . 68 HIS H . 16895 1 847 . 1 1 76 76 HIS HA H 1 5.044 0.020 . 1 . . . . 68 HIS HA . 16895 1 848 . 1 1 76 76 HIS HB2 H 1 2.946 0.020 . 2 . . . . 68 HIS HB2 . 16895 1 849 . 1 1 76 76 HIS HB3 H 1 2.761 0.020 . 2 . . . . 68 HIS HB3 . 16895 1 850 . 1 1 76 76 HIS C C 13 173.873 0.400 . 1 . . . . 68 HIS C . 16895 1 851 . 1 1 76 76 HIS CA C 13 56.195 0.400 . 1 . . . . 68 HIS CA . 16895 1 852 . 1 1 76 76 HIS CB C 13 32.550 0.400 . 1 . . . . 68 HIS CB . 16895 1 853 . 1 1 76 76 HIS N N 15 119.622 0.400 . 1 . . . . 68 HIS N . 16895 1 854 . 1 1 77 77 LEU H H 1 8.237 0.020 . 1 . . . . 69 LEU H . 16895 1 855 . 1 1 77 77 LEU HA H 1 5.085 0.020 . 1 . . . . 69 LEU HA . 16895 1 856 . 1 1 77 77 LEU HB2 H 1 1.500 0.020 . 2 . . . . 69 LEU HB2 . 16895 1 857 . 1 1 77 77 LEU HB3 H 1 1.018 0.020 . 2 . . . . 69 LEU HB3 . 16895 1 858 . 1 1 77 77 LEU HD11 H 1 0.765 0.020 . 2 . . . . 69 LEU HD1 . 16895 1 859 . 1 1 77 77 LEU HD12 H 1 0.765 0.020 . 2 . . . . 69 LEU HD1 . 16895 1 860 . 1 1 77 77 LEU HD13 H 1 0.765 0.020 . 2 . . . . 69 LEU HD1 . 16895 1 861 . 1 1 77 77 LEU HD21 H 1 0.643 0.020 . 2 . . . . 69 LEU HD2 . 16895 1 862 . 1 1 77 77 LEU HD22 H 1 0.643 0.020 . 2 . . . . 69 LEU HD2 . 16895 1 863 . 1 1 77 77 LEU HD23 H 1 0.643 0.020 . 2 . . . . 69 LEU HD2 . 16895 1 864 . 1 1 77 77 LEU HG H 1 1.234 0.020 . 1 . . . . 69 LEU HG . 16895 1 865 . 1 1 77 77 LEU C C 13 175.283 0.400 . 1 . . . . 69 LEU C . 16895 1 866 . 1 1 77 77 LEU CA C 13 53.566 0.400 . 1 . . . . 69 LEU CA . 16895 1 867 . 1 1 77 77 LEU CB C 13 44.127 0.400 . 1 . . . . 69 LEU CB . 16895 1 868 . 1 1 77 77 LEU CD1 C 13 24.047 0.400 . 1 . . . . 69 LEU CD1 . 16895 1 869 . 1 1 77 77 LEU CD2 C 13 26.068 0.400 . 1 . . . . 69 LEU CD2 . 16895 1 870 . 1 1 77 77 LEU CG C 13 27.520 0.400 . 1 . . . . 69 LEU CG . 16895 1 871 . 1 1 77 77 LEU N N 15 123.822 0.400 . 1 . . . . 69 LEU N . 16895 1 872 . 1 1 78 78 VAL H H 1 9.106 0.020 . 1 . . . . 70 VAL H . 16895 1 873 . 1 1 78 78 VAL HA H 1 4.260 0.020 . 1 . . . . 70 VAL HA . 16895 1 874 . 1 1 78 78 VAL HB H 1 1.910 0.020 . 1 . . . . 70 VAL HB . 16895 1 875 . 1 1 78 78 VAL HG11 H 1 0.832 0.020 . 2 . . . . 70 VAL HG1 . 16895 1 876 . 1 1 78 78 VAL HG12 H 1 0.832 0.020 . 2 . . . . 70 VAL HG1 . 16895 1 877 . 1 1 78 78 VAL HG13 H 1 0.832 0.020 . 2 . . . . 70 VAL HG1 . 16895 1 878 . 1 1 78 78 VAL HG21 H 1 0.748 0.020 . 2 . . . . 70 VAL HG2 . 16895 1 879 . 1 1 78 78 VAL HG22 H 1 0.748 0.020 . 2 . . . . 70 VAL HG2 . 16895 1 880 . 1 1 78 78 VAL HG23 H 1 0.748 0.020 . 2 . . . . 70 VAL HG2 . 16895 1 881 . 1 1 78 78 VAL C C 13 173.999 0.400 . 1 . . . . 70 VAL C . 16895 1 882 . 1 1 78 78 VAL CA C 13 60.412 0.400 . 1 . . . . 70 VAL CA . 16895 1 883 . 1 1 78 78 VAL CB C 13 34.672 0.400 . 1 . . . . 70 VAL CB . 16895 1 884 . 1 1 78 78 VAL CG1 C 13 21.111 0.400 . 1 . . . . 70 VAL CG1 . 16895 1 885 . 1 1 78 78 VAL CG2 C 13 20.693 0.400 . 1 . . . . 70 VAL CG2 . 16895 1 886 . 1 1 78 78 VAL N N 15 127.113 0.400 . 1 . . . . 70 VAL N . 16895 1 887 . 1 1 79 79 LEU H H 1 8.051 0.020 . 1 . . . . 71 LEU H . 16895 1 888 . 1 1 79 79 LEU HA H 1 4.945 0.020 . 1 . . . . 71 LEU HA . 16895 1 889 . 1 1 79 79 LEU HB2 H 1 1.580 0.020 . 2 . . . . 71 LEU HB2 . 16895 1 890 . 1 1 79 79 LEU HB3 H 1 1.421 0.020 . 2 . . . . 71 LEU HB3 . 16895 1 891 . 1 1 79 79 LEU HD11 H 1 0.864 0.020 . 2 . . . . 71 LEU HD1 . 16895 1 892 . 1 1 79 79 LEU HD12 H 1 0.864 0.020 . 2 . . . . 71 LEU HD1 . 16895 1 893 . 1 1 79 79 LEU HD13 H 1 0.864 0.020 . 2 . . . . 71 LEU HD1 . 16895 1 894 . 1 1 79 79 LEU HD21 H 1 0.756 0.020 . 2 . . . . 71 LEU HD2 . 16895 1 895 . 1 1 79 79 LEU HD22 H 1 0.756 0.020 . 2 . . . . 71 LEU HD2 . 16895 1 896 . 1 1 79 79 LEU HD23 H 1 0.756 0.020 . 2 . . . . 71 LEU HD2 . 16895 1 897 . 1 1 79 79 LEU HG H 1 1.564 0.020 . 1 . . . . 71 LEU HG . 16895 1 898 . 1 1 79 79 LEU C C 13 177.760 0.400 . 1 . . . . 71 LEU C . 16895 1 899 . 1 1 79 79 LEU CA C 13 53.765 0.400 . 1 . . . . 71 LEU CA . 16895 1 900 . 1 1 79 79 LEU CB C 13 42.687 0.400 . 1 . . . . 71 LEU CB . 16895 1 901 . 1 1 79 79 LEU CD1 C 13 25.003 0.400 . 1 . . . . 71 LEU CD1 . 16895 1 902 . 1 1 79 79 LEU CD2 C 13 23.904 0.400 . 1 . . . . 71 LEU CD2 . 16895 1 903 . 1 1 79 79 LEU CG C 13 27.528 0.400 . 1 . . . . 71 LEU CG . 16895 1 904 . 1 1 79 79 LEU N N 15 123.448 0.400 . 1 . . . . 71 LEU N . 16895 1 905 . 1 1 80 80 ARG H H 1 8.535 0.020 . 1 . . . . 72 ARG H . 16895 1 906 . 1 1 80 80 ARG HA H 1 4.169 0.020 . 1 . . . . 72 ARG HA . 16895 1 907 . 1 1 80 80 ARG HB2 H 1 1.665 0.020 . 2 . . . . 72 ARG HB2 . 16895 1 908 . 1 1 80 80 ARG HB3 H 1 1.442 0.020 . 2 . . . . 72 ARG HB3 . 16895 1 909 . 1 1 80 80 ARG HD2 H 1 3.021 0.020 . 2 . . . . 72 ARG HD2 . 16895 1 910 . 1 1 80 80 ARG HD3 H 1 3.021 0.020 . 2 . . . . 72 ARG HD3 . 16895 1 911 . 1 1 80 80 ARG HG2 H 1 1.388 0.020 . 2 . . . . 72 ARG HG2 . 16895 1 912 . 1 1 80 80 ARG HG3 H 1 1.388 0.020 . 2 . . . . 72 ARG HG3 . 16895 1 913 . 1 1 80 80 ARG C C 13 174.394 0.400 . 1 . . . . 72 ARG C . 16895 1 914 . 1 1 80 80 ARG CA C 13 55.756 0.400 . 1 . . . . 72 ARG CA . 16895 1 915 . 1 1 80 80 ARG CB C 13 31.121 0.400 . 1 . . . . 72 ARG CB . 16895 1 916 . 1 1 80 80 ARG CG C 13 27.283 0.400 . 1 . . . . 72 ARG CG . 16895 1 917 . 1 1 80 80 ARG N N 15 123.523 0.400 . 1 . . . . 72 ARG N . 16895 1 918 . 1 1 81 81 LEU H H 1 8.253 0.020 . 1 . . . . 73 LEU H . 16895 1 919 . 1 1 81 81 LEU HA H 1 4.269 0.020 . 1 . . . . 73 LEU HA . 16895 1 920 . 1 1 81 81 LEU HB2 H 1 1.503 0.020 . 2 . . . . 73 LEU HB2 . 16895 1 921 . 1 1 81 81 LEU HB3 H 1 1.503 0.020 . 2 . . . . 73 LEU HB3 . 16895 1 922 . 1 1 81 81 LEU HD11 H 1 0.808 0.020 . 2 . . . . 73 LEU HD1 . 16895 1 923 . 1 1 81 81 LEU HD12 H 1 0.808 0.020 . 2 . . . . 73 LEU HD1 . 16895 1 924 . 1 1 81 81 LEU HD13 H 1 0.808 0.020 . 2 . . . . 73 LEU HD1 . 16895 1 925 . 1 1 81 81 LEU HD21 H 1 0.765 0.020 . 2 . . . . 73 LEU HD2 . 16895 1 926 . 1 1 81 81 LEU HD22 H 1 0.765 0.020 . 2 . . . . 73 LEU HD2 . 16895 1 927 . 1 1 81 81 LEU HD23 H 1 0.765 0.020 . 2 . . . . 73 LEU HD2 . 16895 1 928 . 1 1 81 81 LEU HG H 1 1.525 0.020 . 1 . . . . 73 LEU HG . 16895 1 929 . 1 1 81 81 LEU CA C 13 54.970 0.400 . 1 . . . . 73 LEU CA . 16895 1 930 . 1 1 81 81 LEU CB C 13 42.225 0.400 . 1 . . . . 73 LEU CB . 16895 1 931 . 1 1 81 81 LEU CD1 C 13 24.800 0.400 . 1 . . . . 73 LEU CD1 . 16895 1 932 . 1 1 81 81 LEU CD2 C 13 23.000 0.400 . 1 . . . . 73 LEU CD2 . 16895 1 933 . 1 1 81 81 LEU CG C 13 26.908 0.400 . 1 . . . . 73 LEU CG . 16895 1 934 . 1 1 81 81 LEU N N 15 124.098 0.400 . 1 . . . . 73 LEU N . 16895 1 935 . 1 1 82 82 ARG H H 1 8.309 0.020 . 1 . . . . 74 ARG H . 16895 1 936 . 1 1 82 82 ARG HA H 1 4.197 0.020 . 1 . . . . 74 ARG HA . 16895 1 937 . 1 1 82 82 ARG HB2 H 1 1.674 0.020 . 2 . . . . 74 ARG HB2 . 16895 1 938 . 1 1 82 82 ARG HB3 H 1 1.674 0.020 . 2 . . . . 74 ARG HB3 . 16895 1 939 . 1 1 82 82 ARG HD2 H 1 3.075 0.020 . 2 . . . . 74 ARG HD2 . 16895 1 940 . 1 1 82 82 ARG HD3 H 1 3.075 0.020 . 2 . . . . 74 ARG HD3 . 16895 1 941 . 1 1 82 82 ARG HG2 H 1 1.525 0.020 . 2 . . . . 74 ARG HG2 . 16895 1 942 . 1 1 82 82 ARG HG3 H 1 1.525 0.020 . 2 . . . . 74 ARG HG3 . 16895 1 943 . 1 1 82 82 ARG C C 13 176.607 0.400 . 1 . . . . 74 ARG C . 16895 1 944 . 1 1 82 82 ARG CA C 13 56.306 0.400 . 1 . . . . 74 ARG CA . 16895 1 945 . 1 1 82 82 ARG CB C 13 30.674 0.400 . 1 . . . . 74 ARG CB . 16895 1 946 . 1 1 82 82 ARG CG C 13 26.858 0.400 . 1 . . . . 74 ARG CG . 16895 1 947 . 1 1 82 82 ARG N N 15 121.496 0.400 . 1 . . . . 74 ARG N . 16895 1 948 . 1 1 83 83 GLY H H 1 8.406 0.020 . 1 . . . . 75 GLY H . 16895 1 949 . 1 1 83 83 GLY HA2 H 1 3.754 0.020 . 2 . . . . 75 GLY HA2 . 16895 1 950 . 1 1 83 83 GLY HA3 H 1 3.754 0.020 . 2 . . . . 75 GLY HA3 . 16895 1 951 . 1 1 83 83 GLY C C 13 173.859 0.400 . 1 . . . . 75 GLY C . 16895 1 952 . 1 1 83 83 GLY CA C 13 45.115 0.400 . 1 . . . . 75 GLY CA . 16895 1 953 . 1 1 83 83 GLY N N 15 110.244 0.400 . 1 . . . . 75 GLY N . 16895 1 954 . 1 1 84 84 TYR H H 1 7.954 0.020 . 1 . . . . 76 TYR H . 16895 1 955 . 1 1 84 84 TYR HA H 1 4.400 0.020 . 1 . . . . 76 TYR HA . 16895 1 956 . 1 1 84 84 TYR HB2 H 1 2.967 0.020 . 2 . . . . 76 TYR HB2 . 16895 1 957 . 1 1 84 84 TYR HB3 H 1 2.852 0.020 . 2 . . . . 76 TYR HB3 . 16895 1 958 . 1 1 84 84 TYR HD1 H 1 7.008 0.020 . 1 . . . . 76 TYR HD1 . 16895 1 959 . 1 1 84 84 TYR HD2 H 1 7.008 0.020 . 1 . . . . 76 TYR HD2 . 16895 1 960 . 1 1 84 84 TYR C C 13 175.675 0.400 . 1 . . . . 76 TYR C . 16895 1 961 . 1 1 84 84 TYR CA C 13 58.125 0.400 . 1 . . . . 76 TYR CA . 16895 1 962 . 1 1 84 84 TYR CB C 13 38.845 0.400 . 1 . . . . 76 TYR CB . 16895 1 963 . 1 1 84 84 TYR N N 15 119.910 0.400 . 1 . . . . 76 TYR N . 16895 1 964 . 1 1 85 85 ALA H H 1 8.155 0.020 . 1 . . . . 77 ALA H . 16895 1 965 . 1 1 85 85 ALA HA H 1 4.148 0.020 . 1 . . . . 77 ALA HA . 16895 1 966 . 1 1 85 85 ALA HB1 H 1 1.237 0.020 . 1 . . . . 77 ALA HB . 16895 1 967 . 1 1 85 85 ALA HB2 H 1 1.237 0.020 . 1 . . . . 77 ALA HB . 16895 1 968 . 1 1 85 85 ALA HB3 H 1 1.237 0.020 . 1 . . . . 77 ALA HB . 16895 1 969 . 1 1 85 85 ALA C C 13 176.971 0.400 . 1 . . . . 77 ALA C . 16895 1 970 . 1 1 85 85 ALA CA C 13 52.590 0.400 . 1 . . . . 77 ALA CA . 16895 1 971 . 1 1 85 85 ALA CB C 13 19.152 0.400 . 1 . . . . 77 ALA CB . 16895 1 972 . 1 1 85 85 ALA N N 15 124.771 0.400 . 1 . . . . 77 ALA N . 16895 1 973 . 1 1 86 86 ASP H H 1 8.024 0.020 . 1 . . . . 78 ASP H . 16895 1 974 . 1 1 86 86 ASP HA H 1 4.454 0.020 . 1 . . . . 78 ASP HA . 16895 1 975 . 1 1 86 86 ASP HB2 H 1 2.639 0.020 . 2 . . . . 78 ASP HB2 . 16895 1 976 . 1 1 86 86 ASP HB3 H 1 2.493 0.020 . 2 . . . . 78 ASP HB3 . 16895 1 977 . 1 1 86 86 ASP C C 13 176.075 0.400 . 1 . . . . 78 ASP C . 16895 1 978 . 1 1 86 86 ASP CA C 13 54.145 0.400 . 1 . . . . 78 ASP CA . 16895 1 979 . 1 1 86 86 ASP CB C 13 41.060 0.400 . 1 . . . . 78 ASP CB . 16895 1 980 . 1 1 86 86 ASP N N 15 118.937 0.400 . 1 . . . . 78 ASP N . 16895 1 981 . 1 1 87 87 LEU H H 1 8.011 0.020 . 1 . . . . 79 LEU H . 16895 1 982 . 1 1 87 87 LEU HA H 1 4.215 0.020 . 1 . . . . 79 LEU HA . 16895 1 983 . 1 1 87 87 LEU HB2 H 1 1.548 0.020 . 2 . . . . 79 LEU HB2 . 16895 1 984 . 1 1 87 87 LEU HB3 H 1 1.490 0.020 . 2 . . . . 79 LEU HB3 . 16895 1 985 . 1 1 87 87 LEU HD11 H 1 0.813 0.020 . 2 . . . . 79 LEU HD1 . 16895 1 986 . 1 1 87 87 LEU HD12 H 1 0.813 0.020 . 2 . . . . 79 LEU HD1 . 16895 1 987 . 1 1 87 87 LEU HD13 H 1 0.813 0.020 . 2 . . . . 79 LEU HD1 . 16895 1 988 . 1 1 87 87 LEU HD21 H 1 0.758 0.020 . 2 . . . . 79 LEU HD2 . 16895 1 989 . 1 1 87 87 LEU HD22 H 1 0.758 0.020 . 2 . . . . 79 LEU HD2 . 16895 1 990 . 1 1 87 87 LEU HD23 H 1 0.758 0.020 . 2 . . . . 79 LEU HD2 . 16895 1 991 . 1 1 87 87 LEU HG H 1 1.521 0.020 . 1 . . . . 79 LEU HG . 16895 1 992 . 1 1 87 87 LEU C C 13 177.238 0.400 . 1 . . . . 79 LEU C . 16895 1 993 . 1 1 87 87 LEU CA C 13 55.304 0.400 . 1 . . . . 79 LEU CA . 16895 1 994 . 1 1 87 87 LEU CB C 13 41.981 0.400 . 1 . . . . 79 LEU CB . 16895 1 995 . 1 1 87 87 LEU CD1 C 13 24.892 0.400 . 1 . . . . 79 LEU CD1 . 16895 1 996 . 1 1 87 87 LEU CD2 C 13 23.308 0.400 . 1 . . . . 79 LEU CD2 . 16895 1 997 . 1 1 87 87 LEU CG C 13 27.108 0.400 . 1 . . . . 79 LEU CG . 16895 1 998 . 1 1 87 87 LEU N N 15 122.413 0.400 . 1 . . . . 79 LEU N . 16895 1 999 . 1 1 88 88 ARG H H 1 8.168 0.020 . 1 . . . . 80 ARG H . 16895 1 1000 . 1 1 88 88 ARG HA H 1 4.211 0.020 . 1 . . . . 80 ARG HA . 16895 1 1001 . 1 1 88 88 ARG HB2 H 1 1.768 0.020 . 2 . . . . 80 ARG HB2 . 16895 1 1002 . 1 1 88 88 ARG HB3 H 1 1.686 0.020 . 2 . . . . 80 ARG HB3 . 16895 1 1003 . 1 1 88 88 ARG HG2 H 1 1.528 0.020 . 2 . . . . 80 ARG HG2 . 16895 1 1004 . 1 1 88 88 ARG HG3 H 1 1.528 0.020 . 2 . . . . 80 ARG HG3 . 16895 1 1005 . 1 1 88 88 ARG CA C 13 56.274 0.400 . 1 . . . . 80 ARG CA . 16895 1 1006 . 1 1 88 88 ARG CB C 13 30.630 0.400 . 1 . . . . 80 ARG CB . 16895 1 1007 . 1 1 88 88 ARG N N 15 121.211 0.400 . 1 . . . . 80 ARG N . 16895 1 1008 . 1 1 91 91 PRO HA H 1 4.288 0.020 . 1 . . . . 83 PRO HA . 16895 1 1009 . 1 1 91 91 PRO HB2 H 1 2.176 0.020 . 2 . . . . 83 PRO HB2 . 16895 1 1010 . 1 1 91 91 PRO HB3 H 1 1.884 0.020 . 2 . . . . 83 PRO HB3 . 16895 1 1011 . 1 1 91 91 PRO HD2 H 1 3.735 0.020 . 2 . . . . 83 PRO HD2 . 16895 1 1012 . 1 1 91 91 PRO HD3 H 1 3.735 0.020 . 2 . . . . 83 PRO HD3 . 16895 1 1013 . 1 1 91 91 PRO HG2 H 1 1.891 0.020 . 2 . . . . 83 PRO HG2 . 16895 1 1014 . 1 1 91 91 PRO HG3 H 1 1.891 0.020 . 2 . . . . 83 PRO HG3 . 16895 1 1015 . 1 1 91 91 PRO C C 13 176.983 0.400 . 1 . . . . 83 PRO C . 16895 1 1016 . 1 1 91 91 PRO CA C 13 63.805 0.400 . 1 . . . . 83 PRO CA . 16895 1 1017 . 1 1 91 91 PRO CB C 13 32.096 0.400 . 1 . . . . 83 PRO CB . 16895 1 1018 . 1 1 91 91 PRO CG C 13 27.123 0.400 . 1 . . . . 83 PRO CG . 16895 1 1019 . 1 1 92 92 ASP H H 1 8.283 0.020 . 1 . . . . 84 ASP H . 16895 1 1020 . 1 1 92 92 ASP HA H 1 4.537 0.020 . 1 . . . . 84 ASP HA . 16895 1 1021 . 1 1 92 92 ASP HB2 H 1 2.649 0.020 . 2 . . . . 84 ASP HB2 . 16895 1 1022 . 1 1 92 92 ASP HB3 H 1 2.520 0.020 . 2 . . . . 84 ASP HB3 . 16895 1 1023 . 1 1 92 92 ASP C C 13 176.264 0.400 . 1 . . . . 84 ASP C . 16895 1 1024 . 1 1 92 92 ASP CA C 13 54.588 0.400 . 1 . . . . 84 ASP CA . 16895 1 1025 . 1 1 92 92 ASP CB C 13 40.979 0.400 . 1 . . . . 84 ASP CB . 16895 1 1026 . 1 1 92 92 ASP N N 15 118.731 0.400 . 1 . . . . 84 ASP N . 16895 1 1027 . 1 1 93 93 ARG H H 1 7.775 0.020 . 1 . . . . 85 ARG H . 16895 1 1028 . 1 1 93 93 ARG HA H 1 4.186 0.020 . 1 . . . . 85 ARG HA . 16895 1 1029 . 1 1 93 93 ARG HB2 H 1 1.698 0.020 . 2 . . . . 85 ARG HB2 . 16895 1 1030 . 1 1 93 93 ARG HB3 H 1 1.698 0.020 . 2 . . . . 85 ARG HB3 . 16895 1 1031 . 1 1 93 93 ARG HD2 H 1 3.086 0.020 . 2 . . . . 85 ARG HD2 . 16895 1 1032 . 1 1 93 93 ARG HD3 H 1 3.086 0.020 . 2 . . . . 85 ARG HD3 . 16895 1 1033 . 1 1 93 93 ARG HG2 H 1 1.508 0.020 . 2 . . . . 85 ARG HG2 . 16895 1 1034 . 1 1 93 93 ARG HG3 H 1 1.508 0.020 . 2 . . . . 85 ARG HG3 . 16895 1 1035 . 1 1 93 93 ARG C C 13 175.566 0.400 . 1 . . . . 85 ARG C . 16895 1 1036 . 1 1 93 93 ARG CA C 13 56.257 0.400 . 1 . . . . 85 ARG CA . 16895 1 1037 . 1 1 93 93 ARG CB C 13 30.671 0.400 . 1 . . . . 85 ARG CB . 16895 1 1038 . 1 1 93 93 ARG CG C 13 27.010 0.400 . 1 . . . . 85 ARG CG . 16895 1 1039 . 1 1 93 93 ARG N N 15 120.683 0.400 . 1 . . . . 85 ARG N . 16895 1 1040 . 1 1 94 94 GLN H H 1 8.279 0.020 . 1 . . . . 86 GLN H . 16895 1 1041 . 1 1 94 94 GLN HA H 1 4.208 0.020 . 1 . . . . 86 GLN HA . 16895 1 1042 . 1 1 94 94 GLN HB2 H 1 1.979 0.020 . 2 . . . . 86 GLN HB2 . 16895 1 1043 . 1 1 94 94 GLN HB3 H 1 1.850 0.020 . 2 . . . . 86 GLN HB3 . 16895 1 1044 . 1 1 94 94 GLN HG2 H 1 2.238 0.020 . 2 . . . . 86 GLN HG2 . 16895 1 1045 . 1 1 94 94 GLN HG3 H 1 2.238 0.020 . 2 . . . . 86 GLN HG3 . 16895 1 1046 . 1 1 94 94 GLN C C 13 176.196 0.400 . 1 . . . . 86 GLN C . 16895 1 1047 . 1 1 94 94 GLN CA C 13 55.798 0.400 . 1 . . . . 86 GLN CA . 16895 1 1048 . 1 1 94 94 GLN CB C 13 29.327 0.400 . 1 . . . . 86 GLN CB . 16895 1 1049 . 1 1 94 94 GLN CG C 13 33.659 0.400 . 1 . . . . 86 GLN CG . 16895 1 1050 . 1 1 94 94 GLN N N 15 121.007 0.400 . 1 . . . . 86 GLN N . 16895 1 1051 . 1 1 95 95 ASP H H 1 8.273 0.020 . 1 . . . . 87 ASP H . 16895 1 1052 . 1 1 95 95 ASP HA H 1 4.452 0.020 . 1 . . . . 87 ASP HA . 16895 1 1053 . 1 1 95 95 ASP HB2 H 1 2.495 0.020 . 2 . . . . 87 ASP HB2 . 16895 1 1054 . 1 1 95 95 ASP HB3 H 1 2.495 0.020 . 2 . . . . 87 ASP HB3 . 16895 1 1055 . 1 1 95 95 ASP C C 13 175.661 0.400 . 1 . . . . 87 ASP C . 16895 1 1056 . 1 1 95 95 ASP CA C 13 54.294 0.400 . 1 . . . . 87 ASP CA . 16895 1 1057 . 1 1 95 95 ASP CB C 13 41.003 0.400 . 1 . . . . 87 ASP CB . 16895 1 1058 . 1 1 95 95 ASP N N 15 121.010 0.400 . 1 . . . . 87 ASP N . 16895 1 1059 . 1 1 96 96 HIS H H 1 8.088 0.020 . 1 . . . . 88 HIS H . 16895 1 1060 . 1 1 96 96 HIS HA H 1 4.469 0.020 . 1 . . . . 88 HIS HA . 16895 1 1061 . 1 1 96 96 HIS HB2 H 1 2.905 0.020 . 2 . . . . 88 HIS HB2 . 16895 1 1062 . 1 1 96 96 HIS HB3 H 1 2.905 0.020 . 2 . . . . 88 HIS HB3 . 16895 1 1063 . 1 1 96 96 HIS C C 13 176.150 0.400 . 1 . . . . 88 HIS C . 16895 1 1064 . 1 1 96 96 HIS CA C 13 55.935 0.400 . 1 . . . . 88 HIS CA . 16895 1 1065 . 1 1 96 96 HIS CB C 13 30.508 0.400 . 1 . . . . 88 HIS CB . 16895 1 1066 . 1 1 96 96 HIS N N 15 119.320 0.400 . 1 . . . . 88 HIS N . 16895 1 1067 . 1 1 97 97 HIS H H 1 8.237 0.020 . 1 . . . . 89 HIS H . 16895 1 1068 . 1 1 97 97 HIS HA H 1 4.468 0.020 . 1 . . . . 89 HIS HA . 16895 1 1069 . 1 1 97 97 HIS HB2 H 1 2.905 0.020 . 2 . . . . 89 HIS HB2 . 16895 1 1070 . 1 1 97 97 HIS HB3 H 1 2.905 0.020 . 2 . . . . 89 HIS HB3 . 16895 1 1071 . 1 1 97 97 HIS CA C 13 56.244 0.400 . 1 . . . . 89 HIS CA . 16895 1 1072 . 1 1 97 97 HIS CB C 13 30.418 0.400 . 1 . . . . 89 HIS CB . 16895 1 1073 . 1 1 97 97 HIS N N 15 121.345 0.400 . 1 . . . . 89 HIS N . 16895 1 1074 . 1 1 98 98 PRO HA H 1 4.336 0.020 . 1 . . . . 90 PRO HA . 16895 1 1075 . 1 1 98 98 PRO HB2 H 1 2.183 0.020 . 2 . . . . 90 PRO HB2 . 16895 1 1076 . 1 1 98 98 PRO HB3 H 1 1.877 0.020 . 2 . . . . 90 PRO HB3 . 16895 1 1077 . 1 1 98 98 PRO HD2 H 1 3.539 0.020 . 2 . . . . 90 PRO HD2 . 16895 1 1078 . 1 1 98 98 PRO HD3 H 1 3.364 0.020 . 2 . . . . 90 PRO HD3 . 16895 1 1079 . 1 1 98 98 PRO HG2 H 1 1.887 0.020 . 2 . . . . 90 PRO HG2 . 16895 1 1080 . 1 1 98 98 PRO HG3 H 1 1.887 0.020 . 2 . . . . 90 PRO HG3 . 16895 1 1081 . 1 1 98 98 PRO C C 13 177.544 0.400 . 1 . . . . 90 PRO C . 16895 1 1082 . 1 1 98 98 PRO CA C 13 63.699 0.400 . 1 . . . . 90 PRO CA . 16895 1 1083 . 1 1 98 98 PRO CB C 13 31.947 0.400 . 1 . . . . 90 PRO CB . 16895 1 1084 . 1 1 98 98 PRO CG C 13 27.254 0.400 . 1 . . . . 90 PRO CG . 16895 1 1085 . 1 1 99 99 GLY H H 1 8.660 0.020 . 1 . . . . 91 GLY H . 16895 1 1086 . 1 1 99 99 GLY HA2 H 1 3.920 0.020 . 2 . . . . 91 GLY HA2 . 16895 1 1087 . 1 1 99 99 GLY HA3 H 1 3.920 0.020 . 2 . . . . 91 GLY HA3 . 16895 1 1088 . 1 1 99 99 GLY C C 13 174.423 0.400 . 1 . . . . 91 GLY C . 16895 1 1089 . 1 1 99 99 GLY CA C 13 45.223 0.400 . 1 . . . . 91 GLY CA . 16895 1 1090 . 1 1 99 99 GLY N N 15 110.024 0.400 . 1 . . . . 91 GLY N . 16895 1 1091 . 1 1 100 100 SER H H 1 8.172 0.020 . 1 . . . . 92 SER H . 16895 1 1092 . 1 1 100 100 SER HA H 1 4.359 0.020 . 1 . . . . 92 SER HA . 16895 1 1093 . 1 1 100 100 SER HB2 H 1 3.801 0.020 . 2 . . . . 92 SER HB2 . 16895 1 1094 . 1 1 100 100 SER HB3 H 1 3.801 0.020 . 2 . . . . 92 SER HB3 . 16895 1 1095 . 1 1 100 100 SER C C 13 175.110 0.400 . 1 . . . . 92 SER C . 16895 1 1096 . 1 1 100 100 SER CA C 13 58.464 0.400 . 1 . . . . 92 SER CA . 16895 1 1097 . 1 1 100 100 SER CB C 13 64.005 0.400 . 1 . . . . 92 SER CB . 16895 1 1098 . 1 1 100 100 SER N N 15 115.598 0.400 . 1 . . . . 92 SER N . 16895 1 1099 . 1 1 101 101 GLY H H 1 8.421 0.020 . 1 . . . . 93 GLY H . 16895 1 1100 . 1 1 101 101 GLY HA2 H 1 3.886 0.020 . 2 . . . . 93 GLY HA2 . 16895 1 1101 . 1 1 101 101 GLY HA3 H 1 3.886 0.020 . 2 . . . . 93 GLY HA3 . 16895 1 1102 . 1 1 101 101 GLY C C 13 173.626 0.400 . 1 . . . . 93 GLY C . 16895 1 1103 . 1 1 101 101 GLY CA C 13 45.217 0.400 . 1 . . . . 93 GLY CA . 16895 1 1104 . 1 1 101 101 GLY N N 15 110.997 0.400 . 1 . . . . 93 GLY N . 16895 1 1105 . 1 1 102 102 ALA H H 1 8.034 0.020 . 1 . . . . 94 ALA H . 16895 1 1106 . 1 1 102 102 ALA HA H 1 4.253 0.020 . 1 . . . . 94 ALA HA . 16895 1 1107 . 1 1 102 102 ALA HB1 H 1 1.292 0.020 . 1 . . . . 94 ALA HB . 16895 1 1108 . 1 1 102 102 ALA HB2 H 1 1.292 0.020 . 1 . . . . 94 ALA HB . 16895 1 1109 . 1 1 102 102 ALA HB3 H 1 1.292 0.020 . 1 . . . . 94 ALA HB . 16895 1 1110 . 1 1 102 102 ALA C C 13 176.794 0.400 . 1 . . . . 94 ALA C . 16895 1 1111 . 1 1 102 102 ALA CA C 13 52.450 0.400 . 1 . . . . 94 ALA CA . 16895 1 1112 . 1 1 102 102 ALA CB C 13 19.230 0.400 . 1 . . . . 94 ALA CB . 16895 1 1113 . 1 1 102 102 ALA N N 15 124.087 0.400 . 1 . . . . 94 ALA N . 16895 1 1114 . 1 1 103 103 GLN H H 1 7.886 0.020 . 1 . . . . 95 GLN H . 16895 1 1115 . 1 1 103 103 GLN CA C 13 57.424 0.400 . 1 . . . . 95 GLN CA . 16895 1 1116 . 1 1 103 103 GLN CB C 13 30.413 0.400 . 1 . . . . 95 GLN CB . 16895 1 1117 . 1 1 103 103 GLN N N 15 124.638 0.400 . 1 . . . . 95 GLN N . 16895 1 stop_ save_