################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 53816 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name '_Assigned_chem_shift_list.HSPB8_ACD_4M_UREA' _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 53816 1 2 '3D HNCO' . . . 53816 1 3 '3D HNCACB' . . . 53816 1 4 '3D HN(CO)CACB' . . . 53816 1 5 '3D 1H-15N TOCSY' . . . 53816 1 6 HNN . . . 53816 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . 53816 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 2 2 GLY C C 13 177.875 0 . 1 . . . . . 70 GLY C . 53816 1 2 . 1 . 1 3 3 SER H H 1 8.311 0.007 . 1 . . . . . 71 SER H . 53816 1 3 . 1 . 1 3 3 SER HA H 1 4.476 0 . 1 . . . . . 71 SER HA . 53816 1 4 . 1 . 1 3 3 SER HB2 H 1 3.873 0 . 1 . . . . . 71 SER HB2 . 53816 1 5 . 1 . 1 3 3 SER HB3 H 1 3.724 0 . 1 . . . . . 71 SER HB3 . 53816 1 6 . 1 . 1 3 3 SER C C 13 177.78 0 . 1 . . . . . 71 SER C . 53816 1 7 . 1 . 1 3 3 SER CA C 13 58.503 0.113 . 1 . . . . . 71 SER CA . 53816 1 8 . 1 . 1 3 3 SER CB C 13 63.965 0.107 . 1 . . . . . 71 SER CB . 53816 1 9 . 1 . 1 3 3 SER N N 15 115.729 0.022 . 1 . . . . . 71 SER N . 53816 1 10 . 1 . 1 4 4 GLU H H 1 8.642 0.008 . 1 . . . . . 72 GLU H . 53816 1 11 . 1 . 1 4 4 GLU HA H 1 4.232 0 . 1 . . . . . 72 GLU HA . 53816 1 12 . 1 . 1 4 4 GLU HB2 H 1 1.871 0 . 1 . . . . . 72 GLU HB2 . 53816 1 13 . 1 . 1 4 4 GLU HB3 H 1 1.881 0 . 1 . . . . . 72 GLU HB3 . 53816 1 14 . 1 . 1 4 4 GLU HG2 H 1 2.108 0 . 1 . . . . . 72 GLU HG2 . 53816 1 15 . 1 . 1 4 4 GLU HG3 H 1 2.108 0 . 1 . . . . . 72 GLU HG3 . 53816 1 16 . 1 . 1 4 4 GLU C C 13 178.536 0 . 1 . . . . . 72 GLU C . 53816 1 17 . 1 . 1 4 4 GLU CA C 13 56.784 0.112 . 1 . . . . . 72 GLU CA . 53816 1 18 . 1 . 1 4 4 GLU CB C 13 30.11 0.08 . 1 . . . . . 72 GLU CB . 53816 1 19 . 1 . 1 4 4 GLU N N 15 122.954 0 . 1 . . . . . 72 GLU N . 53816 1 20 . 1 . 1 5 5 PHE H H 1 8.284 0.012 . 1 . . . . . 73 PHE H . 53816 1 21 . 1 . 1 5 5 PHE HA H 1 4.597 0 . 1 . . . . . 73 PHE HA . 53816 1 22 . 1 . 1 5 5 PHE HB2 H 1 2.723 0 . 1 . . . . . 73 PHE HB2 . 53816 1 23 . 1 . 1 5 5 PHE HB3 H 1 2.597 0 . 1 . . . . . 73 PHE HB3 . 53816 1 24 . 1 . 1 5 5 PHE C C 13 176.598 0 . 1 . . . . . 73 PHE C . 53816 1 25 . 1 . 1 5 5 PHE CA C 13 57.951 0.091 . 1 . . . . . 73 PHE CA . 53816 1 26 . 1 . 1 5 5 PHE CB C 13 39.629 0.066 . 1 . . . . . 73 PHE CB . 53816 1 27 . 1 . 1 5 5 PHE N N 15 120.97 0.014 . 1 . . . . . 73 PHE N . 53816 1 28 . 1 . 1 6 6 THR H H 1 8.006 0.002 . 1 . . . . . 74 THR H . 53816 1 29 . 1 . 1 6 6 THR HA H 1 4.304 0 . 1 . . . . . 74 THR HA . 53816 1 30 . 1 . 1 6 6 THR HB H 1 4.2 0 . 1 . . . . . 74 THR HB . 53816 1 31 . 1 . 1 6 6 THR HG21 H 1 1.176 0 . 1 . . . . . 74 THR HG2 . 53816 1 32 . 1 . 1 6 6 THR HG22 H 1 1.176 0 . 1 . . . . . 74 THR HG2 . 53816 1 33 . 1 . 1 6 6 THR HG23 H 1 1.176 0 . 1 . . . . . 74 THR HG2 . 53816 1 34 . 1 . 1 6 6 THR C C 13 178.353 0 . 1 . . . . . 74 THR C . 53816 1 35 . 1 . 1 6 6 THR CA C 13 61.84 0.109 . 1 . . . . . 74 THR CA . 53816 1 36 . 1 . 1 6 6 THR CB C 13 70.068 0.125 . 1 . . . . . 74 THR CB . 53816 1 37 . 1 . 1 6 6 THR N N 15 116.178 0 . 1 . . . . . 74 THR N . 53816 1 38 . 1 . 1 7 7 ALA H H 1 8.268 0.005 . 1 . . . . . 75 ALA H . 53816 1 39 . 1 . 1 7 7 ALA HA H 1 4.338 0 . 1 . . . . . 75 ALA HA . 53816 1 40 . 1 . 1 7 7 ALA HB1 H 1 1.428 0 . 1 . . . . . 75 ALA HB . 53816 1 41 . 1 . 1 7 7 ALA HB2 H 1 1.428 0 . 1 . . . . . 75 ALA HB . 53816 1 42 . 1 . 1 7 7 ALA HB3 H 1 1.428 0 . 1 . . . . . 75 ALA HB . 53816 1 43 . 1 . 1 7 7 ALA C C 13 174.646 0 . 1 . . . . . 75 ALA C . 53816 1 44 . 1 . 1 7 7 ALA CA C 13 52.818 0.084 . 1 . . . . . 75 ALA CA . 53816 1 45 . 1 . 1 7 7 ALA CB C 13 19.226 0.058 . 1 . . . . . 75 ALA CB . 53816 1 46 . 1 . 1 7 7 ALA N N 15 126.616 0 . 1 . . . . . 75 ALA N . 53816 1 47 . 1 . 1 8 8 THR H H 1 8.035 0.004 . 1 . . . . . 76 THR H . 53816 1 48 . 1 . 1 8 8 THR HA H 1 4.258 0 . 1 . . . . . 76 THR HA . 53816 1 49 . 1 . 1 8 8 THR HG21 H 1 1.215 0 . 1 . . . . . 76 THR HG2 . 53816 1 50 . 1 . 1 8 8 THR HG22 H 1 1.215 0 . 1 . . . . . 76 THR HG2 . 53816 1 51 . 1 . 1 8 8 THR HG23 H 1 1.215 0 . 1 . . . . . 76 THR HG2 . 53816 1 52 . 1 . 1 8 8 THR C C 13 178.089 0 . 1 . . . . . 76 THR C . 53816 1 53 . 1 . 1 8 8 THR CA C 13 62.022 0.084 . 1 . . . . . 76 THR CA . 53816 1 54 . 1 . 1 8 8 THR CB C 13 69.977 0.079 . 1 . . . . . 76 THR CB . 53816 1 55 . 1 . 1 8 8 THR N N 15 113.044 0 . 1 . . . . . 76 THR N . 53816 1 56 . 1 . 1 9 9 ALA H H 1 8.197 0.007 . 1 . . . . . 77 ALA H . 53816 1 57 . 1 . 1 9 9 ALA HA H 1 4.281 0 . 1 . . . . . 77 ALA HA . 53816 1 58 . 1 . 1 9 9 ALA HB1 H 1 1.319 0 . 1 . . . . . 77 ALA HB . 53816 1 59 . 1 . 1 9 9 ALA HB2 H 1 1.319 0 . 1 . . . . . 77 ALA HB . 53816 1 60 . 1 . 1 9 9 ALA HB3 H 1 1.319 0 . 1 . . . . . 77 ALA HB . 53816 1 61 . 1 . 1 9 9 ALA C C 13 178.553 0 . 1 . . . . . 77 ALA C . 53816 1 62 . 1 . 1 9 9 ALA CA C 13 52.593 0.072 . 1 . . . . . 77 ALA CA . 53816 1 63 . 1 . 1 9 9 ALA CB C 13 19.314 0.087 . 1 . . . . . 77 ALA CB . 53816 1 64 . 1 . 1 9 9 ALA N N 15 126.502 0 . 1 . . . . . 77 ALA N . 53816 1 65 . 1 . 1 10 10 ARG H H 1 8.185 0.008 . 1 . . . . . 78 ARG H . 53816 1 66 . 1 . 1 10 10 ARG HA H 1 4.439 0 . 1 . . . . . 78 ARG HA . 53816 1 67 . 1 . 1 10 10 ARG HB2 H 1 1.847 0 . 1 . . . . . 78 ARG HB2 . 53816 1 68 . 1 . 1 10 10 ARG HB3 H 1 1.737 0.098 . 1 . . . . . 78 ARG HB3 . 53816 1 69 . 1 . 1 10 10 ARG HG2 H 1 1.448 0 . 1 . . . . . 78 ARG HG2 . 53816 1 70 . 1 . 1 10 10 ARG HG3 H 1 1.435 0 . 1 . . . . . 78 ARG HG3 . 53816 1 71 . 1 . 1 10 10 ARG CA C 13 56.174 0 . 1 . . . . . 78 ARG CA . 53816 1 72 . 1 . 1 10 10 ARG CB C 13 31.071 0 . 1 . . . . . 78 ARG CB . 53816 1 73 . 1 . 1 10 10 ARG N N 15 120.349 0 . 1 . . . . . 78 ARG N . 53816 1 74 . 1 . 1 11 11 PHE C C 13 176.311 0 . 1 . . . . . 79 PHE C . 53816 1 75 . 1 . 1 11 11 PHE CA C 13 57.687 0.079 . 1 . . . . . 79 PHE CA . 53816 1 76 . 1 . 1 11 11 PHE CB C 13 39.8 0.142 . 1 . . . . . 79 PHE CB . 53816 1 77 . 1 . 1 12 12 GLY H H 1 8.307 0.009 . 1 . . . . . 80 GLY H . 53816 1 78 . 1 . 1 12 12 GLY HA2 H 1 3.886 0 . 1 . . . . . 80 GLY HA2 . 53816 1 79 . 1 . 1 12 12 GLY HA3 H 1 3.897 0 . 1 . . . . . 80 GLY HA3 . 53816 1 80 . 1 . 1 12 12 GLY C C 13 178.981 0 . 1 . . . . . 80 GLY C . 53816 1 81 . 1 . 1 12 12 GLY CA C 13 45.161 0.114 . 1 . . . . . 80 GLY CA . 53816 1 82 . 1 . 1 12 12 GLY N N 15 110.515 0 . 1 . . . . . 80 GLY N . 53816 1 83 . 1 . 1 13 13 VAL H H 1 7.949 0.007 . 1 . . . . . 81 VAL H . 53816 1 84 . 1 . 1 13 13 VAL HA H 1 4.156 0 . 1 . . . . . 81 VAL HA . 53816 1 85 . 1 . 1 13 13 VAL HB H 1 2.077 0 . 1 . . . . . 81 VAL HB . 53816 1 86 . 1 . 1 13 13 VAL HG11 H 1 0.949 0 . 1 . . . . . 81 VAL HG1 . 53816 1 87 . 1 . 1 13 13 VAL HG12 H 1 0.949 0 . 1 . . . . . 81 VAL HG1 . 53816 1 88 . 1 . 1 13 13 VAL HG13 H 1 0.949 0 . 1 . . . . . 81 VAL HG1 . 53816 1 89 . 1 . 1 13 13 VAL HG21 H 1 0.949 0 . 1 . . . . . 81 VAL HG2 . 53816 1 90 . 1 . 1 13 13 VAL HG22 H 1 0.949 0 . 1 . . . . . 81 VAL HG2 . 53816 1 91 . 1 . 1 13 13 VAL HG23 H 1 0.949 0 . 1 . . . . . 81 VAL HG2 . 53816 1 92 . 1 . 1 13 13 VAL CA C 13 59.749 0 . 1 . . . . . 81 VAL CA . 53816 1 93 . 1 . 1 13 13 VAL CB C 13 32.516 0 . 1 . . . . . 81 VAL CB . 53816 1 94 . 1 . 1 13 13 VAL N N 15 120.225 0 . 1 . . . . . 81 VAL N . 53816 1 95 . 1 . 1 14 14 PRO C C 13 175.851 0 . 1 . . . . . 82 PRO C . 53816 1 96 . 1 . 1 14 14 PRO CA C 13 63.372 0.108 . 1 . . . . . 82 PRO CA . 53816 1 97 . 1 . 1 14 14 PRO CB C 13 32.196 0.109 . 1 . . . . . 82 PRO CB . 53816 1 98 . 1 . 1 15 15 ALA H H 1 8.417 0.008 . 1 . . . . . 83 ALA H . 53816 1 99 . 1 . 1 15 15 ALA HA H 1 4.263 0 . 1 . . . . . 83 ALA HA . 53816 1 100 . 1 . 1 15 15 ALA C C 13 176.313 0 . 1 . . . . . 83 ALA C . 53816 1 101 . 1 . 1 15 15 ALA CA C 13 52.647 0.134 . 1 . . . . . 83 ALA CA . 53816 1 102 . 1 . 1 15 15 ALA CB C 13 19.26 0.058 . 1 . . . . . 83 ALA CB . 53816 1 103 . 1 . 1 15 15 ALA N N 15 124.61 0 . 1 . . . . . 83 ALA N . 53816 1 104 . 1 . 1 16 16 GLU H H 1 8.435 0.015 . 1 . . . . . 84 GLU H . 53816 1 105 . 1 . 1 16 16 GLU HA H 1 4.281 0 . 1 . . . . . 84 GLU HA . 53816 1 106 . 1 . 1 16 16 GLU HB2 H 1 2.091 0 . 1 . . . . . 84 GLU HB2 . 53816 1 107 . 1 . 1 16 16 GLU HB3 H 1 1.979 0 . 1 . . . . . 84 GLU HB3 . 53816 1 108 . 1 . 1 16 16 GLU HG2 H 1 2.276 0 . 1 . . . . . 84 GLU HG2 . 53816 1 109 . 1 . 1 16 16 GLU HG3 H 1 2.286 0 . 1 . . . . . 84 GLU HG3 . 53816 1 110 . 1 . 1 16 16 GLU C C 13 175.544 0 . 1 . . . . . 84 GLU C . 53816 1 111 . 1 . 1 16 16 GLU CA C 13 56.767 0.067 . 1 . . . . . 84 GLU CA . 53816 1 112 . 1 . 1 16 16 GLU CB C 13 30.367 0.11 . 1 . . . . . 84 GLU CB . 53816 1 113 . 1 . 1 16 16 GLU N N 15 119.861 0 . 1 . . . . . 84 GLU N . 53816 1 114 . 1 . 1 17 17 GLY H H 1 8.396 0.009 . 1 . . . . . 85 GLY H . 53816 1 115 . 1 . 1 17 17 GLY HA2 H 1 3.943 0 . 1 . . . . . 85 GLY HA2 . 53816 1 116 . 1 . 1 17 17 GLY HA3 H 1 3.931 0 . 1 . . . . . 85 GLY HA3 . 53816 1 117 . 1 . 1 17 17 GLY C C 13 175.065 0 . 1 . . . . . 85 GLY C . 53816 1 118 . 1 . 1 17 17 GLY CA C 13 45.327 0.081 . 1 . . . . . 85 GLY CA . 53816 1 119 . 1 . 1 17 17 GLY N N 15 109.842 0 . 1 . . . . . 85 GLY N . 53816 1 120 . 1 . 1 18 18 ARG H H 1 8.186 0.008 . 1 . . . . . 86 ARG H . 53816 1 121 . 1 . 1 18 18 ARG HA H 1 4.427 0 . 1 . . . . . 86 ARG HA . 53816 1 122 . 1 . 1 18 18 ARG HB3 H 1 1.636 0 . 1 . . . . . 86 ARG HB3 . 53816 1 123 . 1 . 1 18 18 ARG HG2 H 1 1.453 0 . 1 . . . . . 86 ARG HG2 . 53816 1 124 . 1 . 1 18 18 ARG HG3 H 1 1.447 0 . 1 . . . . . 86 ARG HG3 . 53816 1 125 . 1 . 1 18 18 ARG C C 13 176.171 0 . 1 . . . . . 86 ARG C . 53816 1 126 . 1 . 1 18 18 ARG CA C 13 56.068 0.093 . 1 . . . . . 86 ARG CA . 53816 1 127 . 1 . 1 18 18 ARG CB C 13 31.138 0.09 . 1 . . . . . 86 ARG CB . 53816 1 128 . 1 . 1 18 18 ARG N N 15 120.349 0 . 1 . . . . . 86 ARG N . 53816 1 129 . 1 . 1 19 19 THR H H 1 8.3 0.007 . 1 . . . . . 87 THR H . 53816 1 130 . 1 . 1 19 19 THR HA H 1 4.558 0 . 1 . . . . . 87 THR HA . 53816 1 131 . 1 . 1 19 19 THR HB H 1 4.129 0 . 1 . . . . . 87 THR HB . 53816 1 132 . 1 . 1 19 19 THR HG21 H 1 1.267 0 . 1 . . . . . 87 THR HG2 . 53816 1 133 . 1 . 1 19 19 THR HG22 H 1 1.267 0 . 1 . . . . . 87 THR HG2 . 53816 1 134 . 1 . 1 19 19 THR HG23 H 1 1.267 0 . 1 . . . . . 87 THR HG2 . 53816 1 135 . 1 . 1 19 19 THR CA C 13 60.188 0 . 1 . . . . . 87 THR CA . 53816 1 136 . 1 . 1 19 19 THR CB C 13 69.568 0 . 1 . . . . . 87 THR CB . 53816 1 137 . 1 . 1 19 19 THR N N 15 118.296 0.003 . 1 . . . . . 87 THR N . 53816 1 138 . 1 . 1 22 22 PRO C C 13 176.111 0 . 1 . . . . . 90 PRO C . 53816 1 139 . 1 . 1 22 22 PRO CA C 13 63.042 0.05 . 1 . . . . . 90 PRO CA . 53816 1 140 . 1 . 1 22 22 PRO CB C 13 31.928 0.117 . 1 . . . . . 90 PRO CB . 53816 1 141 . 1 . 1 23 23 PHE H H 1 8.204 0.008 . 1 . . . . . 91 PHE H . 53816 1 142 . 1 . 1 23 23 PHE HA H 1 4.762 0.063 . 1 . . . . . 91 PHE HA . 53816 1 143 . 1 . 1 23 23 PHE HB2 H 1 3.136 0.001 . 1 . . . . . 91 PHE HB2 . 53816 1 144 . 1 . 1 23 23 PHE HB3 H 1 2.994 0.018 . 1 . . . . . 91 PHE HB3 . 53816 1 145 . 1 . 1 23 23 PHE CA C 13 57.867 0 . 1 . . . . . 91 PHE CA . 53816 1 146 . 1 . 1 23 23 PHE CB C 13 39.035 0 . 1 . . . . . 91 PHE CB . 53816 1 147 . 1 . 1 23 23 PHE N N 15 121.093 0.084 . 1 . . . . . 91 PHE N . 53816 1 148 . 1 . 1 24 24 PRO C C 13 175.43 0 . 1 . . . . . 92 PRO C . 53816 1 149 . 1 . 1 24 24 PRO CA C 13 63.665 0.056 . 1 . . . . . 92 PRO CA . 53816 1 150 . 1 . 1 24 24 PRO CB C 13 31.959 0.087 . 1 . . . . . 92 PRO CB . 53816 1 151 . 1 . 1 25 25 GLY H H 1 7.967 0.007 . 1 . . . . . 93 GLY H . 53816 1 152 . 1 . 1 25 25 GLY HA2 H 1 3.921 0 . 1 . . . . . 93 GLY HA2 . 53816 1 153 . 1 . 1 25 25 GLY HA3 H 1 3.913 0 . 1 . . . . . 93 GLY HA3 . 53816 1 154 . 1 . 1 25 25 GLY C C 13 178.888 0 . 1 . . . . . 93 GLY C . 53816 1 155 . 1 . 1 25 25 GLY CA C 13 45.071 0.09 . 1 . . . . . 93 GLY CA . 53816 1 156 . 1 . 1 25 25 GLY N N 15 108.798 0 . 1 . . . . . 93 GLY N . 53816 1 157 . 1 . 1 26 26 GLU H H 1 8.157 0.007 . 1 . . . . . 94 GLU H . 53816 1 158 . 1 . 1 26 26 GLU HA H 1 4.296 0 . 1 . . . . . 94 GLU HA . 53816 1 159 . 1 . 1 26 26 GLU HG2 H 1 2.241 0 . 1 . . . . . 94 GLU HG2 . 53816 1 160 . 1 . 1 26 26 GLU HG3 H 1 2.225 0 . 1 . . . . . 94 GLU HG3 . 53816 1 161 . 1 . 1 26 26 GLU CA C 13 54.329 0 . 1 . . . . . 94 GLU CA . 53816 1 162 . 1 . 1 26 26 GLU CB C 13 29.711 0 . 1 . . . . . 94 GLU CB . 53816 1 163 . 1 . 1 26 26 GLU N N 15 120.883 0.001 . 1 . . . . . 94 GLU N . 53816 1 164 . 1 . 1 27 27 PRO C C 13 175.952 0 . 1 . . . . . 95 PRO C . 53816 1 165 . 1 . 1 27 27 PRO CA C 13 63.799 0.066 . 1 . . . . . 95 PRO CA . 53816 1 166 . 1 . 1 27 27 PRO CB C 13 31.941 0.109 . 1 . . . . . 95 PRO CB . 53816 1 167 . 1 . 1 28 28 TRP H H 1 7.778 0.007 . 1 . . . . . 96 TRP H . 53816 1 168 . 1 . 1 28 28 TRP HA H 1 4.636 0 . 1 . . . . . 96 TRP HA . 53816 1 169 . 1 . 1 28 28 TRP HB2 H 1 3.276 0 . 1 . . . . . 96 TRP HB2 . 53816 1 170 . 1 . 1 28 28 TRP HB3 H 1 3.276 0 . 1 . . . . . 96 TRP HB3 . 53816 1 171 . 1 . 1 28 28 TRP C C 13 176.391 0 . 1 . . . . . 96 TRP C . 53816 1 172 . 1 . 1 28 28 TRP CA C 13 57.195 0.034 . 1 . . . . . 96 TRP CA . 53816 1 173 . 1 . 1 28 28 TRP CB C 13 29.072 0.098 . 1 . . . . . 96 TRP CB . 53816 1 174 . 1 . 1 28 28 TRP N N 15 119.414 0.028 . 1 . . . . . 96 TRP N . 53816 1 175 . 1 . 1 29 29 LYS H H 1 7.855 0.006 . 1 . . . . . 97 LYS H . 53816 1 176 . 1 . 1 29 29 LYS HA H 1 4.248 0 . 1 . . . . . 97 LYS HA . 53816 1 177 . 1 . 1 29 29 LYS HB2 H 1 1.677 0 . 1 . . . . . 97 LYS HB2 . 53816 1 178 . 1 . 1 29 29 LYS HB3 H 1 1.677 0 . 1 . . . . . 97 LYS HB3 . 53816 1 179 . 1 . 1 29 29 LYS HG2 H 1 1.191 0 . 1 . . . . . 97 LYS HG2 . 53816 1 180 . 1 . 1 29 29 LYS HG3 H 1 1.191 0 . 1 . . . . . 97 LYS HG3 . 53816 1 181 . 1 . 1 29 29 LYS HD2 H 1 1.503 0 . 1 . . . . . 97 LYS HD2 . 53816 1 182 . 1 . 1 29 29 LYS HD3 H 1 1.515 0 . 1 . . . . . 97 LYS HD3 . 53816 1 183 . 1 . 1 29 29 LYS C C 13 176.565 0 . 1 . . . . . 97 LYS C . 53816 1 184 . 1 . 1 29 29 LYS CA C 13 56.363 0.065 . 1 . . . . . 97 LYS CA . 53816 1 185 . 1 . 1 29 29 LYS CB C 13 33.309 0.26 . 1 . . . . . 97 LYS CB . 53816 1 186 . 1 . 1 29 29 LYS N N 15 123.299 0 . 1 . . . . . 97 LYS N . 53816 1 187 . 1 . 1 30 30 VAL H H 1 7.979 0.008 . 1 . . . . . 98 VAL H . 53816 1 188 . 1 . 1 30 30 VAL HA H 1 4.035 0 . 1 . . . . . 98 VAL HA . 53816 1 189 . 1 . 1 30 30 VAL HB H 1 2.014 0 . 1 . . . . . 98 VAL HB . 53816 1 190 . 1 . 1 30 30 VAL HG11 H 1 0.929 0 . 1 . . . . . 98 VAL HG1 . 53816 1 191 . 1 . 1 30 30 VAL HG12 H 1 0.929 0 . 1 . . . . . 98 VAL HG1 . 53816 1 192 . 1 . 1 30 30 VAL HG13 H 1 0.929 0 . 1 . . . . . 98 VAL HG1 . 53816 1 193 . 1 . 1 30 30 VAL HG21 H 1 0.916 0 . 1 . . . . . 98 VAL HG2 . 53816 1 194 . 1 . 1 30 30 VAL HG22 H 1 0.916 0 . 1 . . . . . 98 VAL HG2 . 53816 1 195 . 1 . 1 30 30 VAL HG23 H 1 0.916 0 . 1 . . . . . 98 VAL HG2 . 53816 1 196 . 1 . 1 30 30 VAL C C 13 176.663 0 . 1 . . . . . 98 VAL C . 53816 1 197 . 1 . 1 30 30 VAL CA C 13 62.265 0.069 . 1 . . . . . 98 VAL CA . 53816 1 198 . 1 . 1 30 30 VAL CB C 13 33.012 0.048 . 1 . . . . . 98 VAL CB . 53816 1 199 . 1 . 1 30 30 VAL N N 15 121.103 0 . 1 . . . . . 98 VAL N . 53816 1 200 . 1 . 1 31 31 CYS H H 1 8.445 0.007 . 1 . . . . . 99 CYS H . 53816 1 201 . 1 . 1 31 31 CYS HA H 1 4.508 0 . 1 . . . . . 99 CYS HA . 53816 1 202 . 1 . 1 31 31 CYS HB2 H 1 2.875 0 . 1 . . . . . 99 CYS HB2 . 53816 1 203 . 1 . 1 31 31 CYS HB3 H 1 2.875 0 . 1 . . . . . 99 CYS HB3 . 53816 1 204 . 1 . 1 31 31 CYS C C 13 178.067 0 . 1 . . . . . 99 CYS C . 53816 1 205 . 1 . 1 31 31 CYS CA C 13 58.532 0.096 . 1 . . . . . 99 CYS CA . 53816 1 206 . 1 . 1 31 31 CYS CB C 13 28.212 0.094 . 1 . . . . . 99 CYS CB . 53816 1 207 . 1 . 1 31 31 CYS N N 15 123.813 0 . 1 . . . . . 99 CYS N . 53816 1 208 . 1 . 1 32 32 VAL H H 1 8.254 0.006 . 1 . . . . . 100 VAL H . 53816 1 209 . 1 . 1 32 32 VAL HA H 1 4.142 0 . 1 . . . . . 100 VAL HA . 53816 1 210 . 1 . 1 32 32 VAL HB H 1 2.05 0 . 1 . . . . . 100 VAL HB . 53816 1 211 . 1 . 1 32 32 VAL HG11 H 1 0.891 0 . 1 . . . . . 100 VAL HG1 . 53816 1 212 . 1 . 1 32 32 VAL HG12 H 1 0.891 0 . 1 . . . . . 100 VAL HG1 . 53816 1 213 . 1 . 1 32 32 VAL HG13 H 1 0.891 0 . 1 . . . . . 100 VAL HG1 . 53816 1 214 . 1 . 1 32 32 VAL HG21 H 1 0.891 0 . 1 . . . . . 100 VAL HG2 . 53816 1 215 . 1 . 1 32 32 VAL HG22 H 1 0.891 0 . 1 . . . . . 100 VAL HG2 . 53816 1 216 . 1 . 1 32 32 VAL HG23 H 1 0.891 0 . 1 . . . . . 100 VAL HG2 . 53816 1 217 . 1 . 1 32 32 VAL C C 13 176.968 0 . 1 . . . . . 100 VAL C . 53816 1 218 . 1 . 1 32 32 VAL CA C 13 62.17 0.161 . 1 . . . . . 100 VAL CA . 53816 1 219 . 1 . 1 32 32 VAL CB C 13 33.005 0.159 . 1 . . . . . 100 VAL CB . 53816 1 220 . 1 . 1 32 32 VAL N N 15 122.627 0 . 1 . . . . . 100 VAL N . 53816 1 221 . 1 . 1 33 33 ASN H H 1 8.501 0.011 . 1 . . . . . 101 ASN H . 53816 1 222 . 1 . 1 33 33 ASN HA H 1 4.73 0 . 1 . . . . . 101 ASN HA . 53816 1 223 . 1 . 1 33 33 ASN HB2 H 1 2.829 0 . 1 . . . . . 101 ASN HB2 . 53816 1 224 . 1 . 1 33 33 ASN HB3 H 1 2.707 0 . 1 . . . . . 101 ASN HB3 . 53816 1 225 . 1 . 1 33 33 ASN C C 13 177.378 0 . 1 . . . . . 101 ASN C . 53816 1 226 . 1 . 1 33 33 ASN CA C 13 53.015 0.08 . 1 . . . . . 101 ASN CA . 53816 1 227 . 1 . 1 33 33 ASN CB C 13 38.964 0.136 . 1 . . . . . 101 ASN CB . 53816 1 228 . 1 . 1 33 33 ASN N N 15 122.608 0 . 1 . . . . . 101 ASN N . 53816 1 229 . 1 . 1 34 34 VAL H H 1 8.091 0.008 . 1 . . . . . 102 VAL H . 53816 1 230 . 1 . 1 34 34 VAL HA H 1 4.058 0 . 1 . . . . . 102 VAL HA . 53816 1 231 . 1 . 1 34 34 VAL HB H 1 2.028 0 . 1 . . . . . 102 VAL HB . 53816 1 232 . 1 . 1 34 34 VAL HG11 H 1 0.851 0 . 1 . . . . . 102 VAL HG1 . 53816 1 233 . 1 . 1 34 34 VAL HG12 H 1 0.851 0 . 1 . . . . . 102 VAL HG1 . 53816 1 234 . 1 . 1 34 34 VAL HG13 H 1 0.851 0 . 1 . . . . . 102 VAL HG1 . 53816 1 235 . 1 . 1 34 34 VAL HG21 H 1 0.859 0 . 1 . . . . . 102 VAL HG2 . 53816 1 236 . 1 . 1 34 34 VAL HG22 H 1 0.859 0 . 1 . . . . . 102 VAL HG2 . 53816 1 237 . 1 . 1 34 34 VAL HG23 H 1 0.859 0 . 1 . . . . . 102 VAL HG2 . 53816 1 238 . 1 . 1 34 34 VAL C C 13 176.094 0 . 1 . . . . . 102 VAL C . 53816 1 239 . 1 . 1 34 34 VAL CA C 13 62.518 0.162 . 1 . . . . . 102 VAL CA . 53816 1 240 . 1 . 1 34 34 VAL CB C 13 32.66 0.208 . 1 . . . . . 102 VAL CB . 53816 1 241 . 1 . 1 34 34 VAL N N 15 120.416 0 . 1 . . . . . 102 VAL N . 53816 1 242 . 1 . 1 35 35 HIS H H 1 8.402 0.015 . 1 . . . . . 103 HIS H . 53816 1 243 . 1 . 1 35 35 HIS HA H 1 4.682 0 . 1 . . . . . 103 HIS HA . 53816 1 244 . 1 . 1 35 35 HIS HB2 H 1 3.081 0 . 1 . . . . . 103 HIS HB2 . 53816 1 245 . 1 . 1 35 35 HIS HB3 H 1 3.081 0 . 1 . . . . . 103 HIS HB3 . 53816 1 246 . 1 . 1 35 35 HIS C C 13 175.786 0 . 1 . . . . . 103 HIS C . 53816 1 247 . 1 . 1 35 35 HIS CA C 13 56.235 0.179 . 1 . . . . . 103 HIS CA . 53816 1 248 . 1 . 1 35 35 HIS CB C 13 30.448 0.197 . 1 . . . . . 103 HIS CB . 53816 1 249 . 1 . 1 35 35 HIS N N 15 122.138 0 . 1 . . . . . 103 HIS N . 53816 1 250 . 1 . 1 36 36 SER H H 1 8.427 0.006 . 1 . . . . . 104 SER H . 53816 1 251 . 1 . 1 36 36 SER HA H 1 4.504 0 . 1 . . . . . 104 SER HA . 53816 1 252 . 1 . 1 36 36 SER HB2 H 1 3.874 0 . 1 . . . . . 104 SER HB2 . 53816 1 253 . 1 . 1 36 36 SER HB3 H 1 3.862 0 . 1 . . . . . 104 SER HB3 . 53816 1 254 . 1 . 1 36 36 SER C C 13 178.677 0 . 1 . . . . . 104 SER C . 53816 1 255 . 1 . 1 36 36 SER CA C 13 57.968 0.191 . 1 . . . . . 104 SER CA . 53816 1 256 . 1 . 1 36 36 SER CB C 13 64.102 0.139 . 1 . . . . . 104 SER CB . 53816 1 257 . 1 . 1 36 36 SER N N 15 117.26 0 . 1 . . . . . 104 SER N . 53816 1 258 . 1 . 1 37 37 PHE H H 1 8.299 0.005 . 1 . . . . . 105 PHE H . 53816 1 259 . 1 . 1 37 37 PHE HA H 1 4.681 0 . 1 . . . . . 105 PHE HA . 53816 1 260 . 1 . 1 37 37 PHE HB2 H 1 3.034 0 . 1 . . . . . 105 PHE HB2 . 53816 1 261 . 1 . 1 37 37 PHE HB3 H 1 3.024 0 . 1 . . . . . 105 PHE HB3 . 53816 1 262 . 1 . 1 37 37 PHE C C 13 177.326 0 . 1 . . . . . 105 PHE C . 53816 1 263 . 1 . 1 37 37 PHE CA C 13 57.813 0.086 . 1 . . . . . 105 PHE CA . 53816 1 264 . 1 . 1 37 37 PHE CB C 13 39.882 0.105 . 1 . . . . . 105 PHE CB . 53816 1 265 . 1 . 1 37 37 PHE N N 15 122.592 0 . 1 . . . . . 105 PHE N . 53816 1 266 . 1 . 1 38 38 LYS H H 1 8.373 0.006 . 1 . . . . . 106 LYS H . 53816 1 267 . 1 . 1 38 38 LYS HA H 1 4.582 0 . 1 . . . . . 106 LYS HA . 53816 1 268 . 1 . 1 38 38 LYS HB2 H 1 1.832 0 . 1 . . . . . 106 LYS HB2 . 53816 1 269 . 1 . 1 38 38 LYS HB3 H 1 1.807 0 . 1 . . . . . 106 LYS HB3 . 53816 1 270 . 1 . 1 38 38 LYS HG2 H 1 1.399 0 . 1 . . . . . 106 LYS HG2 . 53816 1 271 . 1 . 1 38 38 LYS HG3 H 1 1.386 0 . 1 . . . . . 106 LYS HG3 . 53816 1 272 . 1 . 1 38 38 LYS HD2 H 1 1.667 0 . 1 . . . . . 106 LYS HD2 . 53816 1 273 . 1 . 1 38 38 LYS HD3 H 1 1.654 0 . 1 . . . . . 106 LYS HD3 . 53816 1 274 . 1 . 1 38 38 LYS CA C 13 57.718 0 . 1 . . . . . 106 LYS CA . 53816 1 275 . 1 . 1 38 38 LYS CB C 13 32.791 0 . 1 . . . . . 106 LYS CB . 53816 1 276 . 1 . 1 38 38 LYS N N 15 125.034 0 . 1 . . . . . 106 LYS N . 53816 1 277 . 1 . 1 39 39 PRO C C 13 175.196 0 . 1 . . . . . 107 PRO C . 53816 1 278 . 1 . 1 39 39 PRO CA C 13 63.829 0.029 . 1 . . . . . 107 PRO CA . 53816 1 279 . 1 . 1 39 39 PRO CB C 13 32.099 0.062 . 1 . . . . . 107 PRO CB . 53816 1 280 . 1 . 1 40 40 GLU H H 1 8.832 0.008 . 1 . . . . . 108 GLU H . 53816 1 281 . 1 . 1 40 40 GLU HA H 1 4.162 0 . 1 . . . . . 108 GLU HA . 53816 1 282 . 1 . 1 40 40 GLU HB2 H 1 1.998 0 . 1 . . . . . 108 GLU HB2 . 53816 1 283 . 1 . 1 40 40 GLU HB3 H 1 1.985 0 . 1 . . . . . 108 GLU HB3 . 53816 1 284 . 1 . 1 40 40 GLU HG2 H 1 2.29 0 . 1 . . . . . 108 GLU HG2 . 53816 1 285 . 1 . 1 40 40 GLU HG3 H 1 2.303 0 . 1 . . . . . 108 GLU HG3 . 53816 1 286 . 1 . 1 40 40 GLU C C 13 175.612 0 . 1 . . . . . 108 GLU C . 53816 1 287 . 1 . 1 40 40 GLU CA C 13 57.207 0.313 . 1 . . . . . 108 GLU CA . 53816 1 288 . 1 . 1 40 40 GLU CB C 13 30.091 0.128 . 1 . . . . . 108 GLU CB . 53816 1 289 . 1 . 1 40 40 GLU N N 15 120.353 0 . 1 . . . . . 108 GLU N . 53816 1 290 . 1 . 1 41 41 GLU H H 1 8.329 0.008 . 1 . . . . . 109 GLU H . 53816 1 291 . 1 . 1 41 41 GLU HA H 1 4.245 0 . 1 . . . . . 109 GLU HA . 53816 1 292 . 1 . 1 41 41 GLU HB2 H 1 2.022 0 . 1 . . . . . 109 GLU HB2 . 53816 1 293 . 1 . 1 41 41 GLU HB3 H 1 2.022 0 . 1 . . . . . 109 GLU HB3 . 53816 1 294 . 1 . 1 41 41 GLU HG2 H 1 2.238 0 . 1 . . . . . 109 GLU HG2 . 53816 1 295 . 1 . 1 41 41 GLU HG3 H 1 2.238 0 . 1 . . . . . 109 GLU HG3 . 53816 1 296 . 1 . 1 41 41 GLU CA C 13 56.732 0.071 . 1 . . . . . 109 GLU CA . 53816 1 297 . 1 . 1 41 41 GLU CB C 13 30.339 0.126 . 1 . . . . . 109 GLU CB . 53816 1 298 . 1 . 1 41 41 GLU N N 15 121.38 0 . 1 . . . . . 109 GLU N . 53816 1 299 . 1 . 1 42 42 LEU H H 1 8.085 0.009 . 1 . . . . . 110 LEU H . 53816 1 300 . 1 . 1 42 42 LEU HA H 1 4.327 0 . 1 . . . . . 110 LEU HA . 53816 1 301 . 1 . 1 42 42 LEU HB2 H 1 1.705 0 . 1 . . . . . 110 LEU HB2 . 53816 1 302 . 1 . 1 42 42 LEU HB3 H 1 1.692 0 . 1 . . . . . 110 LEU HB3 . 53816 1 303 . 1 . 1 42 42 LEU HG H 1 1.603 0 . 1 . . . . . 110 LEU HG . 53816 1 304 . 1 . 1 42 42 LEU HD11 H 1 0.941 0 . 1 . . . . . 110 LEU HD1 . 53816 1 305 . 1 . 1 42 42 LEU HD12 H 1 0.941 0 . 1 . . . . . 110 LEU HD1 . 53816 1 306 . 1 . 1 42 42 LEU HD13 H 1 0.941 0 . 1 . . . . . 110 LEU HD1 . 53816 1 307 . 1 . 1 42 42 LEU C C 13 176.352 0.2 . 1 . . . . . 110 LEU C . 53816 1 308 . 1 . 1 42 42 LEU CA C 13 55.227 0.097 . 1 . . . . . 110 LEU CA . 53816 1 309 . 1 . 1 42 42 LEU CB C 13 42.529 0.1 . 1 . . . . . 110 LEU CB . 53816 1 310 . 1 . 1 42 42 LEU N N 15 122.455 0 . 1 . . . . . 110 LEU N . 53816 1 311 . 1 . 1 43 43 MET H H 1 8.245 0.006 . 1 . . . . . 111 MET H . 53816 1 312 . 1 . 1 43 43 MET HA H 1 4.504 0 . 1 . . . . . 111 MET HA . 53816 1 313 . 1 . 1 43 43 MET HB2 H 1 2.018 0 . 1 . . . . . 111 MET HB2 . 53816 1 314 . 1 . 1 43 43 MET HB3 H 1 2.006 0 . 1 . . . . . 111 MET HB3 . 53816 1 315 . 1 . 1 43 43 MET HG2 H 1 2.511 0 . 1 . . . . . 111 MET HG2 . 53816 1 316 . 1 . 1 43 43 MET HG3 H 1 2.511 0 . 1 . . . . . 111 MET HG3 . 53816 1 317 . 1 . 1 43 43 MET C C 13 176.532 0 . 1 . . . . . 111 MET C . 53816 1 318 . 1 . 1 43 43 MET CA C 13 55.421 0.152 . 1 . . . . . 111 MET CA . 53816 1 319 . 1 . 1 43 43 MET CB C 13 33.102 0.157 . 1 . . . . . 111 MET CB . 53816 1 320 . 1 . 1 43 43 MET N N 15 121.2 0 . 1 . . . . . 111 MET N . 53816 1 321 . 1 . 1 44 44 VAL H H 1 8.183 0.007 . 1 . . . . . 112 VAL H . 53816 1 322 . 1 . 1 44 44 VAL HA H 1 4.106 0 . 1 . . . . . 112 VAL HA . 53816 1 323 . 1 . 1 44 44 VAL HB H 1 2.033 0 . 1 . . . . . 112 VAL HB . 53816 1 324 . 1 . 1 44 44 VAL HG11 H 1 0.913 0 . 1 . . . . . 112 VAL HG1 . 53816 1 325 . 1 . 1 44 44 VAL HG12 H 1 0.913 0 . 1 . . . . . 112 VAL HG1 . 53816 1 326 . 1 . 1 44 44 VAL HG13 H 1 0.913 0 . 1 . . . . . 112 VAL HG1 . 53816 1 327 . 1 . 1 44 44 VAL HG21 H 1 0.913 0 . 1 . . . . . 112 VAL HG2 . 53816 1 328 . 1 . 1 44 44 VAL HG22 H 1 0.913 0 . 1 . . . . . 112 VAL HG2 . 53816 1 329 . 1 . 1 44 44 VAL HG23 H 1 0.913 0 . 1 . . . . . 112 VAL HG2 . 53816 1 330 . 1 . 1 44 44 VAL C C 13 176.861 0 . 1 . . . . . 112 VAL C . 53816 1 331 . 1 . 1 44 44 VAL CA C 13 61.667 0.774 . 1 . . . . . 112 VAL CA . 53816 1 332 . 1 . 1 44 44 VAL CB C 13 32.306 1.083 . 1 . . . . . 112 VAL CB . 53816 1 333 . 1 . 1 44 44 VAL N N 15 121.755 0 . 1 . . . . . 112 VAL N . 53816 1 334 . 1 . 1 45 45 LYS H H 1 8.453 0.006 . 1 . . . . . 113 LYS H . 53816 1 335 . 1 . 1 45 45 LYS HA H 1 4.3 0 . 1 . . . . . 113 LYS HA . 53816 1 336 . 1 . 1 45 45 LYS HB2 H 1 1.907 0 . 1 . . . . . 113 LYS HB2 . 53816 1 337 . 1 . 1 45 45 LYS HB3 H 1 1.893 0 . 1 . . . . . 113 LYS HB3 . 53816 1 338 . 1 . 1 45 45 LYS HG2 H 1 1.426 0 . 1 . . . . . 113 LYS HG2 . 53816 1 339 . 1 . 1 45 45 LYS HG3 H 1 1.412 0 . 1 . . . . . 113 LYS HG3 . 53816 1 340 . 1 . 1 45 45 LYS HD2 H 1 1.695 0 . 1 . . . . . 113 LYS HD2 . 53816 1 341 . 1 . 1 45 45 LYS HD3 H 1 1.553 0 . 1 . . . . . 113 LYS HD3 . 53816 1 342 . 1 . 1 45 45 LYS C C 13 175.803 0 . 1 . . . . . 113 LYS C . 53816 1 343 . 1 . 1 45 45 LYS CA C 13 56.252 0.14 . 1 . . . . . 113 LYS CA . 53816 1 344 . 1 . 1 45 45 LYS CB C 13 33.379 0.155 . 1 . . . . . 113 LYS CB . 53816 1 345 . 1 . 1 45 45 LYS N N 15 125.973 0.001 . 1 . . . . . 113 LYS N . 53816 1 346 . 1 . 1 46 46 THR H H 1 8.21 0.01 . 1 . . . . . 114 THR H . 53816 1 347 . 1 . 1 46 46 THR HA H 1 4.406 0 . 1 . . . . . 114 THR HA . 53816 1 348 . 1 . 1 46 46 THR HB H 1 4.263 0 . 1 . . . . . 114 THR HB . 53816 1 349 . 1 . 1 46 46 THR HG21 H 1 1.208 0 . 1 . . . . . 114 THR HG2 . 53816 1 350 . 1 . 1 46 46 THR HG22 H 1 1.208 0 . 1 . . . . . 114 THR HG2 . 53816 1 351 . 1 . 1 46 46 THR HG23 H 1 1.208 0 . 1 . . . . . 114 THR HG2 . 53816 1 352 . 1 . 1 46 46 THR C C 13 177.647 0 . 1 . . . . . 114 THR C . 53816 1 353 . 1 . 1 46 46 THR CA C 13 61.716 0.095 . 1 . . . . . 114 THR CA . 53816 1 354 . 1 . 1 46 46 THR CB C 13 70.291 0.095 . 1 . . . . . 114 THR CB . 53816 1 355 . 1 . 1 46 46 THR N N 15 115.839 0 . 1 . . . . . 114 THR N . 53816 1 356 . 1 . 1 47 47 LYS H H 1 8.483 0.007 . 1 . . . . . 115 LYS H . 53816 1 357 . 1 . 1 47 47 LYS HA H 1 4.289 0 . 1 . . . . . 115 LYS HA . 53816 1 358 . 1 . 1 47 47 LYS HB2 H 1 1.87 0 . 1 . . . . . 115 LYS HB2 . 53816 1 359 . 1 . 1 47 47 LYS HB3 H 1 1.87 0 . 1 . . . . . 115 LYS HB3 . 53816 1 360 . 1 . 1 47 47 LYS HG2 H 1 1.399 0 . 1 . . . . . 115 LYS HG2 . 53816 1 361 . 1 . 1 47 47 LYS HG3 H 1 1.412 0 . 1 . . . . . 115 LYS HG3 . 53816 1 362 . 1 . 1 47 47 LYS HD2 H 1 1.743 0 . 1 . . . . . 115 LYS HD2 . 53816 1 363 . 1 . 1 47 47 LYS HD3 H 1 1.73 0 . 1 . . . . . 115 LYS HD3 . 53816 1 364 . 1 . 1 47 47 LYS C C 13 176.196 0 . 1 . . . . . 115 LYS C . 53816 1 365 . 1 . 1 47 47 LYS CA C 13 56.692 0.145 . 1 . . . . . 115 LYS CA . 53816 1 366 . 1 . 1 47 47 LYS CB C 13 33.024 0.106 . 1 . . . . . 115 LYS CB . 53816 1 367 . 1 . 1 47 47 LYS N N 15 123.047 0.011 . 1 . . . . . 115 LYS N . 53816 1 368 . 1 . 1 48 48 ASP H H 1 8.302 0.009 . 1 . . . . . 116 ASP H . 53816 1 369 . 1 . 1 48 48 ASP HA H 1 4.566 0 . 1 . . . . . 116 ASP HA . 53816 1 370 . 1 . 1 48 48 ASP HB2 H 1 2.71 0 . 1 . . . . . 116 ASP HB2 . 53816 1 371 . 1 . 1 48 48 ASP HB3 H 1 2.599 0 . 1 . . . . . 116 ASP HB3 . 53816 1 372 . 1 . 1 48 48 ASP C C 13 176.06 0 . 1 . . . . . 116 ASP C . 53816 1 373 . 1 . 1 48 48 ASP CA C 13 54.649 0.088 . 1 . . . . . 116 ASP CA . 53816 1 374 . 1 . 1 48 48 ASP CB C 13 41.449 0.108 . 1 . . . . . 116 ASP CB . 53816 1 375 . 1 . 1 48 48 ASP N N 15 120.85 0 . 1 . . . . . 116 ASP N . 53816 1 376 . 1 . 1 49 49 GLY H H 1 8.213 0.01 . 1 . . . . . 117 GLY H . 53816 1 377 . 1 . 1 49 49 GLY HA2 H 1 3.958 0 . 1 . . . . . 117 GLY HA2 . 53816 1 378 . 1 . 1 49 49 GLY HA3 H 1 3.826 0 . 1 . . . . . 117 GLY HA3 . 53816 1 379 . 1 . 1 49 49 GLY C C 13 178.84 0 . 1 . . . . . 117 GLY C . 53816 1 380 . 1 . 1 49 49 GLY CA C 13 45.382 0.083 . 1 . . . . . 117 GLY CA . 53816 1 381 . 1 . 1 49 49 GLY N N 15 108.844 0 . 1 . . . . . 117 GLY N . 53816 1 382 . 1 . 1 50 50 TYR H H 1 8.081 0.009 . 1 . . . . . 118 TYR H . 53816 1 383 . 1 . 1 50 50 TYR HA H 1 4.586 0 . 1 . . . . . 118 TYR HA . 53816 1 384 . 1 . 1 50 50 TYR HB2 H 1 2.958 0 . 1 . . . . . 118 TYR HB2 . 53816 1 385 . 1 . 1 50 50 TYR HB3 H 1 2.958 0 . 1 . . . . . 118 TYR HB3 . 53816 1 386 . 1 . 1 50 50 TYR C C 13 177.033 0 . 1 . . . . . 118 TYR C . 53816 1 387 . 1 . 1 50 50 TYR CA C 13 58.227 0.101 . 1 . . . . . 118 TYR CA . 53816 1 388 . 1 . 1 50 50 TYR CB C 13 39.237 0.091 . 1 . . . . . 118 TYR CB . 53816 1 389 . 1 . 1 50 50 TYR N N 15 120.872 0 . 1 . . . . . 118 TYR N . 53816 1 390 . 1 . 1 51 51 VAL H H 1 8.039 0.006 . 1 . . . . . 119 VAL H . 53816 1 391 . 1 . 1 51 51 VAL HA H 1 4.092 0 . 1 . . . . . 119 VAL HA . 53816 1 392 . 1 . 1 51 51 VAL HB H 1 1.946 0 . 1 . . . . . 119 VAL HB . 53816 1 393 . 1 . 1 51 51 VAL HG11 H 1 0.864 0 . 1 . . . . . 119 VAL HG1 . 53816 1 394 . 1 . 1 51 51 VAL HG12 H 1 0.864 0 . 1 . . . . . 119 VAL HG1 . 53816 1 395 . 1 . 1 51 51 VAL HG13 H 1 0.864 0 . 1 . . . . . 119 VAL HG1 . 53816 1 396 . 1 . 1 51 51 VAL HG21 H 1 0.864 0 . 1 . . . . . 119 VAL HG2 . 53816 1 397 . 1 . 1 51 51 VAL HG22 H 1 0.864 0 . 1 . . . . . 119 VAL HG2 . 53816 1 398 . 1 . 1 51 51 VAL HG23 H 1 0.864 0 . 1 . . . . . 119 VAL HG2 . 53816 1 399 . 1 . 1 51 51 VAL C C 13 177.329 0 . 1 . . . . . 119 VAL C . 53816 1 400 . 1 . 1 51 51 VAL CA C 13 61.916 0.09 . 1 . . . . . 119 VAL CA . 53816 1 401 . 1 . 1 51 51 VAL CB C 13 33.347 0.124 . 1 . . . . . 119 VAL CB . 53816 1 402 . 1 . 1 51 51 VAL N N 15 123.592 0.03 . 1 . . . . . 119 VAL N . 53816 1 403 . 1 . 1 52 52 GLU H H 1 8.437 0.006 . 1 . . . . . 120 GLU H . 53816 1 404 . 1 . 1 52 52 GLU HA H 1 4.289 0 . 1 . . . . . 120 GLU HA . 53816 1 405 . 1 . 1 52 52 GLU HB2 H 1 1.972 0 . 1 . . . . . 120 GLU HB2 . 53816 1 406 . 1 . 1 52 52 GLU HB3 H 1 1.734 0 . 1 . . . . . 120 GLU HB3 . 53816 1 407 . 1 . 1 52 52 GLU HG2 H 1 2.278 0 . 1 . . . . . 120 GLU HG2 . 53816 1 408 . 1 . 1 52 52 GLU HG3 H 1 2.277 0 . 1 . . . . . 120 GLU HG3 . 53816 1 409 . 1 . 1 52 52 GLU C C 13 176.082 0 . 1 . . . . . 120 GLU C . 53816 1 410 . 1 . 1 52 52 GLU CA C 13 56.442 0.2 . 1 . . . . . 120 GLU CA . 53816 1 411 . 1 . 1 52 52 GLU CB C 13 30.53 0.124 . 1 . . . . . 120 GLU CB . 53816 1 412 . 1 . 1 52 52 GLU N N 15 125.595 0.005 . 1 . . . . . 120 GLU N . 53816 1 413 . 1 . 1 53 53 VAL H H 1 8.283 0.006 . 1 . . . . . 121 VAL H . 53816 1 414 . 1 . 1 53 53 VAL HA H 1 4.16 0 . 1 . . . . . 121 VAL HA . 53816 1 415 . 1 . 1 53 53 VAL HB H 1 2.091 0 . 1 . . . . . 121 VAL HB . 53816 1 416 . 1 . 1 53 53 VAL HG11 H 1 0.925 0 . 1 . . . . . 121 VAL HG1 . 53816 1 417 . 1 . 1 53 53 VAL HG12 H 1 0.925 0 . 1 . . . . . 121 VAL HG1 . 53816 1 418 . 1 . 1 53 53 VAL HG13 H 1 0.925 0 . 1 . . . . . 121 VAL HG1 . 53816 1 419 . 1 . 1 53 53 VAL HG21 H 1 0.93 0 . 1 . . . . . 121 VAL HG2 . 53816 1 420 . 1 . 1 53 53 VAL HG22 H 1 0.93 0 . 1 . . . . . 121 VAL HG2 . 53816 1 421 . 1 . 1 53 53 VAL HG23 H 1 0.93 0 . 1 . . . . . 121 VAL HG2 . 53816 1 422 . 1 . 1 53 53 VAL C C 13 176.324 0 . 1 . . . . . 121 VAL C . 53816 1 423 . 1 . 1 53 53 VAL CA C 13 62.16 0.132 . 1 . . . . . 121 VAL CA . 53816 1 424 . 1 . 1 53 53 VAL CB C 13 32.881 0.078 . 1 . . . . . 121 VAL CB . 53816 1 425 . 1 . 1 53 53 VAL N N 15 122.177 0.005 . 1 . . . . . 121 VAL N . 53816 1 426 . 1 . 1 54 54 SER H H 1 8.442 0.01 . 1 . . . . . 122 SER H . 53816 1 427 . 1 . 1 54 54 SER HA H 1 4.451 0 . 1 . . . . . 122 SER HA . 53816 1 428 . 1 . 1 54 54 SER HB2 H 1 3.889 0 . 1 . . . . . 122 SER HB2 . 53816 1 429 . 1 . 1 54 54 SER HB3 H 1 3.878 0 . 1 . . . . . 122 SER HB3 . 53816 1 430 . 1 . 1 54 54 SER C C 13 176.115 0 . 1 . . . . . 122 SER C . 53816 1 431 . 1 . 1 54 54 SER CA C 13 58.494 0.113 . 1 . . . . . 122 SER CA . 53816 1 432 . 1 . 1 54 54 SER CB C 13 64.035 0.102 . 1 . . . . . 122 SER CB . 53816 1 433 . 1 . 1 54 54 SER N N 15 119.483 0 . 1 . . . . . 122 SER N . 53816 1 434 . 1 . 1 55 55 GLY H H 1 8.445 0.007 . 1 . . . . . 123 GLY H . 53816 1 435 . 1 . 1 55 55 GLY HA2 H 1 3.954 0 . 1 . . . . . 123 GLY HA2 . 53816 1 436 . 1 . 1 55 55 GLY HA3 H 1 3.946 0 . 1 . . . . . 123 GLY HA3 . 53816 1 437 . 1 . 1 55 55 GLY C C 13 178.624 0 . 1 . . . . . 123 GLY C . 53816 1 438 . 1 . 1 55 55 GLY CA C 13 45.169 0.156 . 1 . . . . . 123 GLY CA . 53816 1 439 . 1 . 1 55 55 GLY N N 15 110.959 0 . 1 . . . . . 123 GLY N . 53816 1 440 . 1 . 1 56 56 LYS H H 1 8.155 0.007 . 1 . . . . . 124 LYS H . 53816 1 441 . 1 . 1 56 56 LYS HA H 1 4.28 0 . 1 . . . . . 124 LYS HA . 53816 1 442 . 1 . 1 56 56 LYS HB2 H 1 1.935 0 . 1 . . . . . 124 LYS HB2 . 53816 1 443 . 1 . 1 56 56 LYS HG2 H 1 1.341 0 . 1 . . . . . 124 LYS HG2 . 53816 1 444 . 1 . 1 56 56 LYS HG3 H 1 1.341 0 . 1 . . . . . 124 LYS HG3 . 53816 1 445 . 1 . 1 56 56 LYS HD2 H 1 1.736 0.001 . 1 . . . . . 124 LYS HD2 . 53816 1 446 . 1 . 1 56 56 LYS HD3 H 1 1.737 0 . 1 . . . . . 124 LYS HD3 . 53816 1 447 . 1 . 1 56 56 LYS C C 13 176.126 0 . 1 . . . . . 124 LYS C . 53816 1 448 . 1 . 1 56 56 LYS CA C 13 56.215 0.263 . 1 . . . . . 124 LYS CA . 53816 1 449 . 1 . 1 56 56 LYS CB C 13 33.24 0.076 . 1 . . . . . 124 LYS CB . 53816 1 450 . 1 . 1 56 56 LYS N N 15 120.883 0 . 1 . . . . . 124 LYS N . 53816 1 451 . 1 . 1 57 57 HIS H H 1 8.583 0.006 . 1 . . . . . 125 HIS H . 53816 1 452 . 1 . 1 57 57 HIS HA H 1 4.713 0 . 1 . . . . . 125 HIS HA . 53816 1 453 . 1 . 1 57 57 HIS HB2 H 1 3.155 0 . 1 . . . . . 125 HIS HB2 . 53816 1 454 . 1 . 1 57 57 HIS HB3 H 1 3.143 0 . 1 . . . . . 125 HIS HB3 . 53816 1 455 . 1 . 1 57 57 HIS CA C 13 55.911 0 . 1 . . . . . 125 HIS CA . 53816 1 456 . 1 . 1 57 57 HIS CB C 13 29.979 0 . 1 . . . . . 125 HIS CB . 53816 1 457 . 1 . 1 57 57 HIS N N 15 121.099 0 . 1 . . . . . 125 HIS N . 53816 1 458 . 1 . 1 58 58 GLU C C 13 176.373 0 . 1 . . . . . 126 GLU C . 53816 1 459 . 1 . 1 58 58 GLU CA C 13 56.544 0.015 . 1 . . . . . 126 GLU CA . 53816 1 460 . 1 . 1 58 58 GLU CB C 13 30.543 0.083 . 1 . . . . . 126 GLU CB . 53816 1 461 . 1 . 1 59 59 GLU H H 1 8.566 0.005 . 1 . . . . . 127 GLU H . 53816 1 462 . 1 . 1 59 59 GLU HA H 1 4.302 0 . 1 . . . . . 127 GLU HA . 53816 1 463 . 1 . 1 59 59 GLU HB2 H 1 2.023 0 . 1 . . . . . 127 GLU HB2 . 53816 1 464 . 1 . 1 59 59 GLU HB3 H 1 1.947 0 . 1 . . . . . 127 GLU HB3 . 53816 1 465 . 1 . 1 59 59 GLU HG2 H 1 2.265 0 . 1 . . . . . 127 GLU HG2 . 53816 1 466 . 1 . 1 59 59 GLU HG3 H 1 2.252 0 . 1 . . . . . 127 GLU HG3 . 53816 1 467 . 1 . 1 59 59 GLU C C 13 176.087 0 . 1 . . . . . 127 GLU C . 53816 1 468 . 1 . 1 59 59 GLU CA C 13 56.45 0.136 . 1 . . . . . 127 GLU CA . 53816 1 469 . 1 . 1 59 59 GLU CB C 13 30.483 0.062 . 1 . . . . . 127 GLU CB . 53816 1 470 . 1 . 1 59 59 GLU N N 15 123.059 0 . 1 . . . . . 127 GLU N . 53816 1 471 . 1 . 1 60 60 LYS H H 1 8.432 0.005 . 1 . . . . . 128 LYS H . 53816 1 472 . 1 . 1 60 60 LYS HA H 1 4.327 0 . 1 . . . . . 128 LYS HA . 53816 1 473 . 1 . 1 60 60 LYS HB2 H 1 1.756 0 . 1 . . . . . 128 LYS HB2 . 53816 1 474 . 1 . 1 60 60 LYS HB3 H 1 1.756 0 . 1 . . . . . 128 LYS HB3 . 53816 1 475 . 1 . 1 60 60 LYS HG2 H 1 1.412 0 . 1 . . . . . 128 LYS HG2 . 53816 1 476 . 1 . 1 60 60 LYS HG3 H 1 1.425 0 . 1 . . . . . 128 LYS HG3 . 53816 1 477 . 1 . 1 60 60 LYS HD2 H 1 1.756 0 . 1 . . . . . 128 LYS HD2 . 53816 1 478 . 1 . 1 60 60 LYS HD3 H 1 1.756 0 . 1 . . . . . 128 LYS HD3 . 53816 1 479 . 1 . 1 60 60 LYS C C 13 175.954 0 . 1 . . . . . 128 LYS C . 53816 1 480 . 1 . 1 60 60 LYS CA C 13 56.498 0.218 . 1 . . . . . 128 LYS CA . 53816 1 481 . 1 . 1 60 60 LYS CB C 13 33.204 0.098 . 1 . . . . . 128 LYS CB . 53816 1 482 . 1 . 1 60 60 LYS N N 15 122.962 0 . 1 . . . . . 128 LYS N . 53816 1 483 . 1 . 1 61 61 GLN H H 1 8.529 0.009 . 1 . . . . . 129 GLN H . 53816 1 484 . 1 . 1 61 61 GLN HA H 1 4.321 0 . 1 . . . . . 129 GLN HA . 53816 1 485 . 1 . 1 61 61 GLN HB3 H 1 2.024 0.063 . 1 . . . . . 129 GLN HB3 . 53816 1 486 . 1 . 1 61 61 GLN HG2 H 1 2.362 0 . 1 . . . . . 129 GLN HG2 . 53816 1 487 . 1 . 1 61 61 GLN HG3 H 1 2.35 0 . 1 . . . . . 129 GLN HG3 . 53816 1 488 . 1 . 1 61 61 GLN C C 13 176.455 0 . 1 . . . . . 129 GLN C . 53816 1 489 . 1 . 1 61 61 GLN CA C 13 56.135 0.195 . 1 . . . . . 129 GLN CA . 53816 1 490 . 1 . 1 61 61 GLN CB C 13 29.539 0.083 . 1 . . . . . 129 GLN CB . 53816 1 491 . 1 . 1 61 61 GLN N N 15 122.293 0.018 . 1 . . . . . 129 GLN N . 53816 1 492 . 1 . 1 62 62 GLN H H 1 8.532 0.008 . 1 . . . . . 130 GLN H . 53816 1 493 . 1 . 1 62 62 GLN HA H 1 4.297 0 . 1 . . . . . 130 GLN HA . 53816 1 494 . 1 . 1 62 62 GLN HB2 H 1 2.081 0 . 1 . . . . . 130 GLN HB2 . 53816 1 495 . 1 . 1 62 62 GLN HB3 H 1 1.956 0 . 1 . . . . . 130 GLN HB3 . 53816 1 496 . 1 . 1 62 62 GLN HG2 H 1 2.349 0 . 1 . . . . . 130 GLN HG2 . 53816 1 497 . 1 . 1 62 62 GLN HG3 H 1 2.364 0 . 1 . . . . . 130 GLN HG3 . 53816 1 498 . 1 . 1 62 62 GLN C C 13 176.52 0 . 1 . . . . . 130 GLN C . 53816 1 499 . 1 . 1 62 62 GLN CA C 13 56.165 0.18 . 1 . . . . . 130 GLN CA . 53816 1 500 . 1 . 1 62 62 GLN CB C 13 29.936 0.428 . 1 . . . . . 130 GLN CB . 53816 1 501 . 1 . 1 62 62 GLN N N 15 122.298 0 . 1 . . . . . 130 GLN N . 53816 1 502 . 1 . 1 63 63 GLU H H 1 8.572 0.012 . 1 . . . . . 131 GLU H . 53816 1 503 . 1 . 1 63 63 GLU HA H 1 4.291 0 . 1 . . . . . 131 GLU HA . 53816 1 504 . 1 . 1 63 63 GLU HB2 H 1 2.05 0 . 1 . . . . . 131 GLU HB2 . 53816 1 505 . 1 . 1 63 63 GLU HB3 H 1 1.92 0 . 1 . . . . . 131 GLU HB3 . 53816 1 506 . 1 . 1 63 63 GLU HG2 H 1 2.261 0 . 1 . . . . . 131 GLU HG2 . 53816 1 507 . 1 . 1 63 63 GLU HG3 H 1 2.261 0 . 1 . . . . . 131 GLU HG3 . 53816 1 508 . 1 . 1 63 63 GLU C C 13 175.558 0 . 1 . . . . . 131 GLU C . 53816 1 509 . 1 . 1 63 63 GLU CA C 13 56.666 0.261 . 1 . . . . . 131 GLU CA . 53816 1 510 . 1 . 1 63 63 GLU CB C 13 30.484 0.055 . 1 . . . . . 131 GLU CB . 53816 1 511 . 1 . 1 63 63 GLU N N 15 123.059 0 . 1 . . . . . 131 GLU N . 53816 1 512 . 1 . 1 64 64 GLY H H 1 8.501 0.008 . 1 . . . . . 132 GLY H . 53816 1 513 . 1 . 1 64 64 GLY HA2 H 1 3.972 0 . 1 . . . . . 132 GLY HA2 . 53816 1 514 . 1 . 1 64 64 GLY HA3 H 1 3.981 0 . 1 . . . . . 132 GLY HA3 . 53816 1 515 . 1 . 1 64 64 GLY C C 13 177.933 0 . 1 . . . . . 132 GLY C . 53816 1 516 . 1 . 1 64 64 GLY CA C 13 45.333 0.137 . 1 . . . . . 132 GLY CA . 53816 1 517 . 1 . 1 64 64 GLY N N 15 110.285 0.031 . 1 . . . . . 132 GLY N . 53816 1 518 . 1 . 1 65 65 GLY H H 1 8.267 0.008 . 1 . . . . . 133 GLY H . 53816 1 519 . 1 . 1 65 65 GLY HA2 H 1 3.966 0 . 1 . . . . . 133 GLY HA2 . 53816 1 520 . 1 . 1 65 65 GLY HA3 H 1 3.966 0 . 1 . . . . . 133 GLY HA3 . 53816 1 521 . 1 . 1 65 65 GLY C C 13 178.53 0 . 1 . . . . . 133 GLY C . 53816 1 522 . 1 . 1 65 65 GLY CA C 13 45.202 0.116 . 1 . . . . . 133 GLY CA . 53816 1 523 . 1 . 1 65 65 GLY N N 15 108.672 0 . 1 . . . . . 133 GLY N . 53816 1 524 . 1 . 1 66 66 ILE H H 1 8.065 0.006 . 1 . . . . . 134 ILE H . 53816 1 525 . 1 . 1 66 66 ILE HA H 1 4.174 0 . 1 . . . . . 134 ILE HA . 53816 1 526 . 1 . 1 66 66 ILE HB H 1 1.832 0 . 1 . . . . . 134 ILE HB . 53816 1 527 . 1 . 1 66 66 ILE HG12 H 1 1.17 0 . 1 . . . . . 134 ILE HG1 . 53816 1 528 . 1 . 1 66 66 ILE HG13 H 1 1.17 0 . 1 . . . . . 134 ILE HG1 . 53816 1 529 . 1 . 1 66 66 ILE HG21 H 1 0.877 0 . 1 . . . . . 134 ILE HG2 . 53816 1 530 . 1 . 1 66 66 ILE HG22 H 1 0.877 0 . 1 . . . . . 134 ILE HG2 . 53816 1 531 . 1 . 1 66 66 ILE HG23 H 1 0.877 0 . 1 . . . . . 134 ILE HG2 . 53816 1 532 . 1 . 1 66 66 ILE HD11 H 1 0.89 0 . 1 . . . . . 134 ILE HD1 . 53816 1 533 . 1 . 1 66 66 ILE HD12 H 1 0.89 0 . 1 . . . . . 134 ILE HD1 . 53816 1 534 . 1 . 1 66 66 ILE HD13 H 1 0.89 0 . 1 . . . . . 134 ILE HD1 . 53816 1 535 . 1 . 1 66 66 ILE C C 13 176.079 0 . 1 . . . . . 134 ILE C . 53816 1 536 . 1 . 1 66 66 ILE CA C 13 61.301 0.095 . 1 . . . . . 134 ILE CA . 53816 1 537 . 1 . 1 66 66 ILE CB C 13 38.802 0.092 . 1 . . . . . 134 ILE CB . 53816 1 538 . 1 . 1 66 66 ILE N N 15 120.338 0 . 1 . . . . . 134 ILE N . 53816 1 539 . 1 . 1 67 67 VAL H H 1 8.252 0.007 . 1 . . . . . 135 VAL H . 53816 1 540 . 1 . 1 67 67 VAL HA H 1 4.162 0 . 1 . . . . . 135 VAL HA . 53816 1 541 . 1 . 1 67 67 VAL HB H 1 2.048 0 . 1 . . . . . 135 VAL HB . 53816 1 542 . 1 . 1 67 67 VAL HG11 H 1 0.928 0 . 1 . . . . . 135 VAL HG1 . 53816 1 543 . 1 . 1 67 67 VAL HG12 H 1 0.928 0 . 1 . . . . . 135 VAL HG1 . 53816 1 544 . 1 . 1 67 67 VAL HG13 H 1 0.928 0 . 1 . . . . . 135 VAL HG1 . 53816 1 545 . 1 . 1 67 67 VAL HG21 H 1 0.916 0 . 1 . . . . . 135 VAL HG2 . 53816 1 546 . 1 . 1 67 67 VAL HG22 H 1 0.916 0 . 1 . . . . . 135 VAL HG2 . 53816 1 547 . 1 . 1 67 67 VAL HG23 H 1 0.916 0 . 1 . . . . . 135 VAL HG2 . 53816 1 548 . 1 . 1 67 67 VAL C C 13 176.372 0 . 1 . . . . . 135 VAL C . 53816 1 549 . 1 . 1 67 67 VAL CA C 13 62.252 0.095 . 1 . . . . . 135 VAL CA . 53816 1 550 . 1 . 1 67 67 VAL CB C 13 32.829 0.102 . 1 . . . . . 135 VAL CB . 53816 1 551 . 1 . 1 67 67 VAL N N 15 124.696 0 . 1 . . . . . 135 VAL N . 53816 1 552 . 1 . 1 68 68 SER H H 1 8.377 0.008 . 1 . . . . . 136 SER H . 53816 1 553 . 1 . 1 68 68 SER HA H 1 4.44 0 . 1 . . . . . 136 SER HA . 53816 1 554 . 1 . 1 68 68 SER HB2 H 1 3.828 0 . 1 . . . . . 136 SER HB2 . 53816 1 555 . 1 . 1 68 68 SER HB3 H 1 3.816 0 . 1 . . . . . 136 SER HB3 . 53816 1 556 . 1 . 1 68 68 SER C C 13 177.853 0 . 1 . . . . . 136 SER C . 53816 1 557 . 1 . 1 68 68 SER CA C 13 58.193 0.162 . 1 . . . . . 136 SER CA . 53816 1 558 . 1 . 1 68 68 SER CB C 13 63.958 0.122 . 1 . . . . . 136 SER CB . 53816 1 559 . 1 . 1 68 68 SER N N 15 120.036 0 . 1 . . . . . 136 SER N . 53816 1 560 . 1 . 1 69 69 LYS H H 1 8.387 0.007 . 1 . . . . . 137 LYS H . 53816 1 561 . 1 . 1 69 69 LYS HA H 1 4.276 0 . 1 . . . . . 137 LYS HA . 53816 1 562 . 1 . 1 69 69 LYS HB2 H 1 1.679 0 . 1 . . . . . 137 LYS HB2 . 53816 1 563 . 1 . 1 69 69 LYS HB3 H 1 1.692 0 . 1 . . . . . 137 LYS HB3 . 53816 1 564 . 1 . 1 69 69 LYS HG2 H 1 1.399 0 . 1 . . . . . 137 LYS HG2 . 53816 1 565 . 1 . 1 69 69 LYS HG3 H 1 1.399 0 . 1 . . . . . 137 LYS HG3 . 53816 1 566 . 1 . 1 69 69 LYS HD2 H 1 1.692 0 . 1 . . . . . 137 LYS HD2 . 53816 1 567 . 1 . 1 69 69 LYS HD3 H 1 1.679 0 . 1 . . . . . 137 LYS HD3 . 53816 1 568 . 1 . 1 69 69 LYS C C 13 176.44 0 . 1 . . . . . 137 LYS C . 53816 1 569 . 1 . 1 69 69 LYS CA C 13 56.477 0.099 . 1 . . . . . 137 LYS CA . 53816 1 570 . 1 . 1 69 69 LYS CB C 13 33.119 0.084 . 1 . . . . . 137 LYS CB . 53816 1 571 . 1 . 1 69 69 LYS N N 15 123.582 0.008 . 1 . . . . . 137 LYS N . 53816 1 572 . 1 . 1 70 70 ASN H H 1 8.335 0.008 . 1 . . . . . 138 ASN H . 53816 1 573 . 1 . 1 70 70 ASN HA H 1 4.251 0 . 1 . . . . . 138 ASN HA . 53816 1 574 . 1 . 1 70 70 ASN HB2 H 1 2.812 0 . 1 . . . . . 138 ASN HB2 . 53816 1 575 . 1 . 1 70 70 ASN HB3 H 1 2.672 0 . 1 . . . . . 138 ASN HB3 . 53816 1 576 . 1 . 1 70 70 ASN C C 13 176.147 0 . 1 . . . . . 138 ASN C . 53816 1 577 . 1 . 1 70 70 ASN CA C 13 53.134 0.048 . 1 . . . . . 138 ASN CA . 53816 1 578 . 1 . 1 70 70 ASN CB C 13 38.985 0.027 . 1 . . . . . 138 ASN CB . 53816 1 579 . 1 . 1 70 70 ASN N N 15 119.142 0 . 1 . . . . . 138 ASN N . 53816 1 580 . 1 . 1 71 71 PHE H H 1 8.205 0.01 . 1 . . . . . 139 PHE H . 53816 1 581 . 1 . 1 71 71 PHE HA H 1 4.825 0 . 1 . . . . . 139 PHE HA . 53816 1 582 . 1 . 1 71 71 PHE HB2 H 1 3.141 0 . 1 . . . . . 139 PHE HB2 . 53816 1 583 . 1 . 1 71 71 PHE HB3 H 1 2.969 0 . 1 . . . . . 139 PHE HB3 . 53816 1 584 . 1 . 1 71 71 PHE C C 13 176.746 0 . 1 . . . . . 139 PHE C . 53816 1 585 . 1 . 1 71 71 PHE CA C 13 57.896 0.075 . 1 . . . . . 139 PHE CA . 53816 1 586 . 1 . 1 71 71 PHE CB C 13 39.433 0.331 . 1 . . . . . 139 PHE CB . 53816 1 587 . 1 . 1 71 71 PHE N N 15 121.036 0 . 1 . . . . . 139 PHE N . 53816 1 588 . 1 . 1 72 72 THR H H 1 8.113 0.009 . 1 . . . . . 140 THR H . 53816 1 589 . 1 . 1 72 72 THR HA H 1 4.3 0 . 1 . . . . . 140 THR HA . 53816 1 590 . 1 . 1 72 72 THR HB H 1 4.134 0 . 1 . . . . . 140 THR HB . 53816 1 591 . 1 . 1 72 72 THR HG21 H 1 1.224 0 . 1 . . . . . 140 THR HG2 . 53816 1 592 . 1 . 1 72 72 THR HG22 H 1 1.224 0 . 1 . . . . . 140 THR HG2 . 53816 1 593 . 1 . 1 72 72 THR HG23 H 1 1.224 0 . 1 . . . . . 140 THR HG2 . 53816 1 594 . 1 . 1 72 72 THR C C 13 175.871 0 . 1 . . . . . 140 THR C . 53816 1 595 . 1 . 1 72 72 THR CA C 13 62.058 0.101 . 1 . . . . . 140 THR CA . 53816 1 596 . 1 . 1 72 72 THR CB C 13 70.117 0.095 . 1 . . . . . 140 THR CB . 53816 1 597 . 1 . 1 72 72 THR N N 15 116.412 0 . 1 . . . . . 140 THR N . 53816 1 598 . 1 . 1 73 73 LYS H H 1 8.266 0.009 . 1 . . . . . 141 LYS H . 53816 1 599 . 1 . 1 73 73 LYS HA H 1 4.289 0 . 1 . . . . . 141 LYS HA . 53816 1 600 . 1 . 1 73 73 LYS HB2 H 1 1.807 0 . 1 . . . . . 141 LYS HB2 . 53816 1 601 . 1 . 1 73 73 LYS HG2 H 1 1.412 0 . 1 . . . . . 141 LYS HG2 . 53816 1 602 . 1 . 1 73 73 LYS HD2 H 1 1.616 0 . 1 . . . . . 141 LYS HD2 . 53816 1 603 . 1 . 1 73 73 LYS C C 13 177.834 0 . 1 . . . . . 141 LYS C . 53816 1 604 . 1 . 1 73 73 LYS CA C 13 56.388 0.069 . 1 . . . . . 141 LYS CA . 53816 1 605 . 1 . 1 73 73 LYS CB C 13 33.313 0.119 . 1 . . . . . 141 LYS CB . 53816 1 606 . 1 . 1 73 73 LYS N N 15 124.433 0 . 1 . . . . . 141 LYS N . 53816 1 607 . 1 . 1 74 74 LYS H H 1 8.413 0.007 . 1 . . . . . 142 LYS H . 53816 1 608 . 1 . 1 74 74 LYS HA H 1 4.344 0 . 1 . . . . . 142 LYS HA . 53816 1 609 . 1 . 1 74 74 LYS HB2 H 1 1.748 0 . 1 . . . . . 142 LYS HB2 . 53816 1 610 . 1 . 1 74 74 LYS HB3 H 1 1.722 0 . 1 . . . . . 142 LYS HB3 . 53816 1 611 . 1 . 1 74 74 LYS HG2 H 1 1.357 0 . 1 . . . . . 142 LYS HG2 . 53816 1 612 . 1 . 1 74 74 LYS HG3 H 1 1.357 0 . 1 . . . . . 142 LYS HG3 . 53816 1 613 . 1 . 1 74 74 LYS HD3 H 1 1.722 0 . 1 . . . . . 142 LYS HD3 . 53816 1 614 . 1 . 1 74 74 LYS C C 13 176.14 0 . 1 . . . . . 142 LYS C . 53816 1 615 . 1 . 1 74 74 LYS CA C 13 56.333 0.132 . 1 . . . . . 142 LYS CA . 53816 1 616 . 1 . 1 74 74 LYS CB C 13 33.214 0.087 . 1 . . . . . 142 LYS CB . 53816 1 617 . 1 . 1 74 74 LYS N N 15 123.917 0 . 1 . . . . . 142 LYS N . 53816 1 618 . 1 . 1 75 75 ILE H H 1 8.279 0.006 . 1 . . . . . 143 ILE H . 53816 1 619 . 1 . 1 75 75 ILE HA H 1 4.149 0 . 1 . . . . . 143 ILE HA . 53816 1 620 . 1 . 1 75 75 ILE HB H 1 1.819 0 . 1 . . . . . 143 ILE HB . 53816 1 621 . 1 . 1 75 75 ILE HG12 H 1 1.157 0 . 1 . . . . . 143 ILE HG1 . 53816 1 622 . 1 . 1 75 75 ILE HG13 H 1 1.157 0 . 1 . . . . . 143 ILE HG1 . 53816 1 623 . 1 . 1 75 75 ILE HG21 H 1 0.903 0 . 1 . . . . . 143 ILE HG2 . 53816 1 624 . 1 . 1 75 75 ILE HG22 H 1 0.903 0 . 1 . . . . . 143 ILE HG2 . 53816 1 625 . 1 . 1 75 75 ILE HG23 H 1 0.903 0 . 1 . . . . . 143 ILE HG2 . 53816 1 626 . 1 . 1 75 75 ILE HD11 H 1 0.89 0 . 1 . . . . . 143 ILE HD1 . 53816 1 627 . 1 . 1 75 75 ILE HD12 H 1 0.89 0 . 1 . . . . . 143 ILE HD1 . 53816 1 628 . 1 . 1 75 75 ILE HD13 H 1 0.89 0 . 1 . . . . . 143 ILE HD1 . 53816 1 629 . 1 . 1 75 75 ILE C C 13 176.694 0 . 1 . . . . . 143 ILE C . 53816 1 630 . 1 . 1 75 75 ILE CA C 13 60.978 0.107 . 1 . . . . . 143 ILE CA . 53816 1 631 . 1 . 1 75 75 ILE CB C 13 38.889 0.14 . 1 . . . . . 143 ILE CB . 53816 1 632 . 1 . 1 75 75 ILE N N 15 123.308 0 . 1 . . . . . 143 ILE N . 53816 1 633 . 1 . 1 76 76 GLN H H 1 8.482 0.007 . 1 . . . . . 144 GLN H . 53816 1 634 . 1 . 1 76 76 GLN HA H 1 4.385 0 . 1 . . . . . 144 GLN HA . 53816 1 635 . 1 . 1 76 76 GLN HB2 H 1 2.002 0 . 1 . . . . . 144 GLN HB2 . 53816 1 636 . 1 . 1 76 76 GLN HB3 H 1 1.989 0 . 1 . . . . . 144 GLN HB3 . 53816 1 637 . 1 . 1 76 76 GLN HG2 H 1 2.314 0 . 1 . . . . . 144 GLN HG2 . 53816 1 638 . 1 . 1 76 76 GLN HG3 H 1 2.326 0 . 1 . . . . . 144 GLN HG3 . 53816 1 639 . 1 . 1 76 76 GLN C C 13 176.558 0 . 1 . . . . . 144 GLN C . 53816 1 640 . 1 . 1 76 76 GLN CA C 13 55.377 0.086 . 1 . . . . . 144 GLN CA . 53816 1 641 . 1 . 1 76 76 GLN CB C 13 29.899 0.061 . 1 . . . . . 144 GLN CB . 53816 1 642 . 1 . 1 76 76 GLN N N 15 125.445 0 . 1 . . . . . 144 GLN N . 53816 1 643 . 1 . 1 77 77 LEU H H 1 8.456 0.008 . 1 . . . . . 145 LEU H . 53816 1 644 . 1 . 1 77 77 LEU HA H 1 4.312 0 . 1 . . . . . 145 LEU HA . 53816 1 645 . 1 . 1 77 77 LEU HB2 H 1 1.917 0 . 1 . . . . . 145 LEU HB2 . 53816 1 646 . 1 . 1 77 77 LEU HG H 1 1.568 0 . 1 . . . . . 145 LEU HG . 53816 1 647 . 1 . 1 77 77 LEU CA C 13 53.03 0 . 1 . . . . . 145 LEU CA . 53816 1 648 . 1 . 1 77 77 LEU CB C 13 41.71 0 . 1 . . . . . 145 LEU CB . 53816 1 649 . 1 . 1 77 77 LEU N N 15 126.292 0 . 1 . . . . . 145 LEU N . 53816 1 650 . 1 . 1 78 78 PRO C C 13 175.936 0 . 1 . . . . . 146 PRO C . 53816 1 651 . 1 . 1 78 78 PRO CA C 13 63.299 0.113 . 1 . . . . . 146 PRO CA . 53816 1 652 . 1 . 1 78 78 PRO CB C 13 32.201 0.03 . 1 . . . . . 146 PRO CB . 53816 1 653 . 1 . 1 79 79 ALA H H 1 8.354 0.018 . 1 . . . . . 147 ALA H . 53816 1 654 . 1 . 1 79 79 ALA HA H 1 4.281 0 . 1 . . . . . 147 ALA HA . 53816 1 655 . 1 . 1 79 79 ALA HB1 H 1 1.397 0.01 . 1 . . . . . 147 ALA HB . 53816 1 656 . 1 . 1 79 79 ALA HB2 H 1 1.397 0.01 . 1 . . . . . 147 ALA HB . 53816 1 657 . 1 . 1 79 79 ALA HB3 H 1 1.397 0.01 . 1 . . . . . 147 ALA HB . 53816 1 658 . 1 . 1 79 79 ALA C C 13 177.707 0 . 1 . . . . . 147 ALA C . 53816 1 659 . 1 . 1 79 79 ALA CA C 13 52.701 0.103 . 1 . . . . . 147 ALA CA . 53816 1 660 . 1 . 1 79 79 ALA CB C 13 19.301 0.096 . 1 . . . . . 147 ALA CB . 53816 1 661 . 1 . 1 79 79 ALA N N 15 123.924 0.207 . 1 . . . . . 147 ALA N . 53816 1 662 . 1 . 1 80 80 GLU H H 1 8.386 0.008 . 1 . . . . . 148 GLU H . 53816 1 663 . 1 . 1 80 80 GLU HA H 1 4.255 0 . 1 . . . . . 148 GLU HA . 53816 1 664 . 1 . 1 80 80 GLU HB2 H 1 2.063 0 . 1 . . . . . 148 GLU HB2 . 53816 1 665 . 1 . 1 80 80 GLU HB3 H 1 1.968 0 . 1 . . . . . 148 GLU HB3 . 53816 1 666 . 1 . 1 80 80 GLU HG2 H 1 2.264 0 . 1 . . . . . 148 GLU HG2 . 53816 1 667 . 1 . 1 80 80 GLU HG3 H 1 2.264 0 . 1 . . . . . 148 GLU HG3 . 53816 1 668 . 1 . 1 80 80 GLU C C 13 176.216 0 . 1 . . . . . 148 GLU C . 53816 1 669 . 1 . 1 80 80 GLU CA C 13 56.611 0.11 . 1 . . . . . 148 GLU CA . 53816 1 670 . 1 . 1 80 80 GLU CB C 13 30.404 0.055 . 1 . . . . . 148 GLU CB . 53816 1 671 . 1 . 1 80 80 GLU N N 15 119.497 0.003 . 1 . . . . . 148 GLU N . 53816 1 672 . 1 . 1 81 81 VAL H H 1 8.012 0.007 . 1 . . . . . 149 VAL H . 53816 1 673 . 1 . 1 81 81 VAL HA H 1 4.118 0 . 1 . . . . . 149 VAL HA . 53816 1 674 . 1 . 1 81 81 VAL HB H 1 2.032 0 . 1 . . . . . 149 VAL HB . 53816 1 675 . 1 . 1 81 81 VAL HG11 H 1 0.912 0 . 1 . . . . . 149 VAL HG1 . 53816 1 676 . 1 . 1 81 81 VAL HG12 H 1 0.912 0 . 1 . . . . . 149 VAL HG1 . 53816 1 677 . 1 . 1 81 81 VAL HG13 H 1 0.912 0 . 1 . . . . . 149 VAL HG1 . 53816 1 678 . 1 . 1 81 81 VAL HG21 H 1 0.912 0 . 1 . . . . . 149 VAL HG2 . 53816 1 679 . 1 . 1 81 81 VAL HG22 H 1 0.912 0 . 1 . . . . . 149 VAL HG2 . 53816 1 680 . 1 . 1 81 81 VAL HG23 H 1 0.912 0 . 1 . . . . . 149 VAL HG2 . 53816 1 681 . 1 . 1 81 81 VAL C C 13 177.071 0 . 1 . . . . . 149 VAL C . 53816 1 682 . 1 . 1 81 81 VAL CA C 13 61.907 0.02 . 1 . . . . . 149 VAL CA . 53816 1 683 . 1 . 1 81 81 VAL CB C 13 33.163 0.049 . 1 . . . . . 149 VAL CB . 53816 1 684 . 1 . 1 81 81 VAL N N 15 120.126 0 . 1 . . . . . 149 VAL N . 53816 1 685 . 1 . 1 82 82 ASP H H 1 8.384 0.007 . 1 . . . . . 150 ASP H . 53816 1 686 . 1 . 1 82 82 ASP HA H 1 4.526 0 . 1 . . . . . 150 ASP HA . 53816 1 687 . 1 . 1 82 82 ASP HB2 H 1 2.745 0 . 1 . . . . . 150 ASP HB2 . 53816 1 688 . 1 . 1 82 82 ASP HB3 H 1 2.532 0 . 1 . . . . . 150 ASP HB3 . 53816 1 689 . 1 . 1 82 82 ASP CA C 13 52.395 0 . 1 . . . . . 150 ASP CA . 53816 1 690 . 1 . 1 82 82 ASP CB C 13 41.118 0 . 1 . . . . . 150 ASP CB . 53816 1 691 . 1 . 1 82 82 ASP N N 15 125.445 0 . 1 . . . . . 150 ASP N . 53816 1 692 . 1 . 1 83 83 PRO C C 13 175.389 0 . 1 . . . . . 151 PRO C . 53816 1 693 . 1 . 1 83 83 PRO CA C 13 63.379 0.273 . 1 . . . . . 151 PRO CA . 53816 1 694 . 1 . 1 83 83 PRO CB C 13 32.398 0.038 . 1 . . . . . 151 PRO CB . 53816 1 695 . 1 . 1 84 84 VAL H H 1 8.219 0.006 . 1 . . . . . 152 VAL H . 53816 1 696 . 1 . 1 84 84 VAL HA H 1 4.083 0 . 1 . . . . . 152 VAL HA . 53816 1 697 . 1 . 1 84 84 VAL HB H 1 2.097 0 . 1 . . . . . 152 VAL HB . 53816 1 698 . 1 . 1 84 84 VAL HG11 H 1 0.964 0 . 1 . . . . . 152 VAL HG1 . 53816 1 699 . 1 . 1 84 84 VAL HG12 H 1 0.964 0 . 1 . . . . . 152 VAL HG1 . 53816 1 700 . 1 . 1 84 84 VAL HG13 H 1 0.964 0 . 1 . . . . . 152 VAL HG1 . 53816 1 701 . 1 . 1 84 84 VAL HG21 H 1 0.964 0 . 1 . . . . . 152 VAL HG2 . 53816 1 702 . 1 . 1 84 84 VAL HG22 H 1 0.964 0 . 1 . . . . . 152 VAL HG2 . 53816 1 703 . 1 . 1 84 84 VAL HG23 H 1 0.964 0 . 1 . . . . . 152 VAL HG2 . 53816 1 704 . 1 . 1 84 84 VAL C C 13 175.852 0 . 1 . . . . . 152 VAL C . 53816 1 705 . 1 . 1 84 84 VAL CA C 13 63.112 0.103 . 1 . . . . . 152 VAL CA . 53816 1 706 . 1 . 1 84 84 VAL CB C 13 32.378 0.097 . 1 . . . . . 152 VAL CB . 53816 1 707 . 1 . 1 84 84 VAL N N 15 119.589 0 . 1 . . . . . 152 VAL N . 53816 1 708 . 1 . 1 85 85 THR H H 1 8.102 0.007 . 1 . . . . . 153 THR H . 53816 1 709 . 1 . 1 85 85 THR HA H 1 4.283 0 . 1 . . . . . 153 THR HA . 53816 1 710 . 1 . 1 85 85 THR HB H 1 4.09 0 . 1 . . . . . 153 THR HB . 53816 1 711 . 1 . 1 85 85 THR HG21 H 1 1.071 0 . 1 . . . . . 153 THR HG2 . 53816 1 712 . 1 . 1 85 85 THR HG22 H 1 1.071 0 . 1 . . . . . 153 THR HG2 . 53816 1 713 . 1 . 1 85 85 THR HG23 H 1 1.071 0 . 1 . . . . . 153 THR HG2 . 53816 1 714 . 1 . 1 85 85 THR C C 13 178.154 0 . 1 . . . . . 153 THR C . 53816 1 715 . 1 . 1 85 85 THR CA C 13 62.317 0.065 . 1 . . . . . 153 THR CA . 53816 1 716 . 1 . 1 85 85 THR CB C 13 69.883 0.027 . 1 . . . . . 153 THR CB . 53816 1 717 . 1 . 1 85 85 THR N N 15 117.501 0 . 1 . . . . . 153 THR N . 53816 1 718 . 1 . 1 86 86 VAL H H 1 7.956 0.007 . 1 . . . . . 154 VAL H . 53816 1 719 . 1 . 1 86 86 VAL HA H 1 4.085 0 . 1 . . . . . 154 VAL HA . 53816 1 720 . 1 . 1 86 86 VAL HB H 1 1.992 0 . 1 . . . . . 154 VAL HB . 53816 1 721 . 1 . 1 86 86 VAL HG11 H 1 0.832 0 . 1 . . . . . 154 VAL HG1 . 53816 1 722 . 1 . 1 86 86 VAL HG12 H 1 0.832 0 . 1 . . . . . 154 VAL HG1 . 53816 1 723 . 1 . 1 86 86 VAL HG13 H 1 0.832 0 . 1 . . . . . 154 VAL HG1 . 53816 1 724 . 1 . 1 86 86 VAL HG21 H 1 0.832 0 . 1 . . . . . 154 VAL HG2 . 53816 1 725 . 1 . 1 86 86 VAL HG22 H 1 0.832 0 . 1 . . . . . 154 VAL HG2 . 53816 1 726 . 1 . 1 86 86 VAL HG23 H 1 0.832 0 . 1 . . . . . 154 VAL HG2 . 53816 1 727 . 1 . 1 86 86 VAL C C 13 175.693 0 . 1 . . . . . 154 VAL C . 53816 1 728 . 1 . 1 86 86 VAL CA C 13 62.336 0.138 . 1 . . . . . 154 VAL CA . 53816 1 729 . 1 . 1 86 86 VAL CB C 13 32.845 0.07 . 1 . . . . . 154 VAL CB . 53816 1 730 . 1 . 1 86 86 VAL N N 15 122.608 0 . 1 . . . . . 154 VAL N . 53816 1 731 . 1 . 1 87 87 PHE H H 1 8.285 0.009 . 1 . . . . . 155 PHE H . 53816 1 732 . 1 . 1 87 87 PHE HA H 1 4.619 0 . 1 . . . . . 155 PHE HA . 53816 1 733 . 1 . 1 87 87 PHE HB2 H 1 3.154 0 . 1 . . . . . 155 PHE HB2 . 53816 1 734 . 1 . 1 87 87 PHE HB3 H 1 2.979 0 . 1 . . . . . 155 PHE HB3 . 53816 1 735 . 1 . 1 87 87 PHE C C 13 177.092 0 . 1 . . . . . 155 PHE C . 53816 1 736 . 1 . 1 87 87 PHE CA C 13 57.758 0.082 . 1 . . . . . 155 PHE CA . 53816 1 737 . 1 . 1 87 87 PHE CB C 13 39.688 0.052 . 1 . . . . . 155 PHE CB . 53816 1 738 . 1 . 1 87 87 PHE N N 15 123.882 0 . 1 . . . . . 155 PHE N . 53816 1 739 . 1 . 1 88 88 ALA H H 1 8.23 0.008 . 1 . . . . . 156 ALA H . 53816 1 740 . 1 . 1 88 88 ALA HA H 1 4.411 0 . 1 . . . . . 156 ALA HA . 53816 1 741 . 1 . 1 88 88 ALA HB1 H 1 1.355 0 . 1 . . . . . 156 ALA HB . 53816 1 742 . 1 . 1 88 88 ALA HB2 H 1 1.355 0 . 1 . . . . . 156 ALA HB . 53816 1 743 . 1 . 1 88 88 ALA HB3 H 1 1.355 0 . 1 . . . . . 156 ALA HB . 53816 1 744 . 1 . 1 88 88 ALA C C 13 175.284 0 . 1 . . . . . 156 ALA C . 53816 1 745 . 1 . 1 88 88 ALA CA C 13 52.395 0.082 . 1 . . . . . 156 ALA CA . 53816 1 746 . 1 . 1 88 88 ALA CB C 13 19.673 0.14 . 1 . . . . . 156 ALA CB . 53816 1 747 . 1 . 1 88 88 ALA N N 15 125.477 0 . 1 . . . . . 156 ALA N . 53816 1 748 . 1 . 1 89 89 SER H H 1 8.247 0.007 . 1 . . . . . 157 SER H . 53816 1 749 . 1 . 1 89 89 SER HA H 1 4.467 0 . 1 . . . . . 157 SER HA . 53816 1 750 . 1 . 1 89 89 SER HB2 H 1 3.849 0 . 1 . . . . . 157 SER HB2 . 53816 1 751 . 1 . 1 89 89 SER HB3 H 1 3.832 0 . 1 . . . . . 157 SER HB3 . 53816 1 752 . 1 . 1 89 89 SER C C 13 178.393 0 . 1 . . . . . 157 SER C . 53816 1 753 . 1 . 1 89 89 SER CA C 13 58.208 0.101 . 1 . . . . . 157 SER CA . 53816 1 754 . 1 . 1 89 89 SER CB C 13 64.081 0.102 . 1 . . . . . 157 SER CB . 53816 1 755 . 1 . 1 89 89 SER N N 15 115.126 0 . 1 . . . . . 157 SER N . 53816 1 756 . 1 . 1 90 90 LEU H H 1 8.239 0.008 . 1 . . . . . 158 LEU H . 53816 1 757 . 1 . 1 90 90 LEU HA H 1 4.526 0 . 1 . . . . . 158 LEU HA . 53816 1 758 . 1 . 1 90 90 LEU HB2 H 1 1.603 0 . 1 . . . . . 158 LEU HB2 . 53816 1 759 . 1 . 1 90 90 LEU HB3 H 1 1.616 0 . 1 . . . . . 158 LEU HB3 . 53816 1 760 . 1 . 1 90 90 LEU HG H 1 1.616 0 . 1 . . . . . 158 LEU HG . 53816 1 761 . 1 . 1 90 90 LEU HD11 H 1 0.865 0 . 1 . . . . . 158 LEU HD1 . 53816 1 762 . 1 . 1 90 90 LEU HD12 H 1 0.865 0 . 1 . . . . . 158 LEU HD1 . 53816 1 763 . 1 . 1 90 90 LEU HD13 H 1 0.865 0 . 1 . . . . . 158 LEU HD1 . 53816 1 764 . 1 . 1 90 90 LEU C C 13 175.28 0 . 1 . . . . . 158 LEU C . 53816 1 765 . 1 . 1 90 90 LEU CA C 13 54.766 0.072 . 1 . . . . . 158 LEU CA . 53816 1 766 . 1 . 1 90 90 LEU CB C 13 42.97 0.067 . 1 . . . . . 158 LEU CB . 53816 1 767 . 1 . 1 90 90 LEU N N 15 123.752 0 . 1 . . . . . 158 LEU N . 53816 1 768 . 1 . 1 91 91 SER H H 1 8.573 0.006 . 1 . . . . . 159 SER H . 53816 1 769 . 1 . 1 91 91 SER HA H 1 4.752 0 . 1 . . . . . 159 SER HA . 53816 1 770 . 1 . 1 91 91 SER HB2 H 1 4.017 0 . 1 . . . . . 159 SER HB2 . 53816 1 771 . 1 . 1 91 91 SER HB3 H 1 3.864 0 . 1 . . . . . 159 SER HB3 . 53816 1 772 . 1 . 1 91 91 SER CA C 13 56.372 0 . 1 . . . . . 159 SER CA . 53816 1 773 . 1 . 1 91 91 SER CB C 13 63.36 0 . 1 . . . . . 159 SER CB . 53816 1 774 . 1 . 1 91 91 SER N N 15 118.666 0 . 1 . . . . . 159 SER N . 53816 1 775 . 1 . 1 92 92 PRO C C 13 175.306 0 . 1 . . . . . 160 PRO C . 53816 1 776 . 1 . 1 92 92 PRO CA C 13 64.186 0.084 . 1 . . . . . 160 PRO CA . 53816 1 777 . 1 . 1 92 92 PRO CB C 13 32.017 0.145 . 1 . . . . . 160 PRO CB . 53816 1 778 . 1 . 1 93 93 GLU H H 1 8.345 0.009 . 1 . . . . . 161 GLU H . 53816 1 779 . 1 . 1 93 93 GLU HA H 1 4.262 0 . 1 . . . . . 161 GLU HA . 53816 1 780 . 1 . 1 93 93 GLU HB2 H 1 2.082 0 . 1 . . . . . 161 GLU HB2 . 53816 1 781 . 1 . 1 93 93 GLU HB3 H 1 1.938 0 . 1 . . . . . 161 GLU HB3 . 53816 1 782 . 1 . 1 93 93 GLU HG2 H 1 2.3 0 . 1 . . . . . 161 GLU HG2 . 53816 1 783 . 1 . 1 93 93 GLU HG3 H 1 2.283 0 . 1 . . . . . 161 GLU HG3 . 53816 1 784 . 1 . 1 93 93 GLU C C 13 175.515 0 . 1 . . . . . 161 GLU C . 53816 1 785 . 1 . 1 93 93 GLU CA C 13 57.019 0.111 . 1 . . . . . 161 GLU CA . 53816 1 786 . 1 . 1 93 93 GLU CB C 13 30.11 0.121 . 1 . . . . . 161 GLU CB . 53816 1 787 . 1 . 1 93 93 GLU N N 15 118.812 0.013 . 1 . . . . . 161 GLU N . 53816 1 788 . 1 . 1 94 94 GLY H H 1 8.295 0.008 . 1 . . . . . 162 GLY H . 53816 1 789 . 1 . 1 94 94 GLY HA2 H 1 3.982 0 . 1 . . . . . 162 GLY HA2 . 53816 1 790 . 1 . 1 94 94 GLY HA3 H 1 3.842 0 . 1 . . . . . 162 GLY HA3 . 53816 1 791 . 1 . 1 94 94 GLY C C 13 178.686 0 . 1 . . . . . 162 GLY C . 53816 1 792 . 1 . 1 94 94 GLY CA C 13 45.434 0.096 . 1 . . . . . 162 GLY CA . 53816 1 793 . 1 . 1 94 94 GLY N N 15 109.276 0.025 . 1 . . . . . 162 GLY N . 53816 1 794 . 1 . 1 95 95 LEU H H 1 7.849 0.007 . 1 . . . . . 163 LEU H . 53816 1 795 . 1 . 1 95 95 LEU HA H 1 4.376 0 . 1 . . . . . 163 LEU HA . 53816 1 796 . 1 . 1 95 95 LEU HB2 H 1 1.547 0 . 1 . . . . . 163 LEU HB2 . 53816 1 797 . 1 . 1 95 95 LEU HB3 H 1 1.56 0 . 1 . . . . . 163 LEU HB3 . 53816 1 798 . 1 . 1 95 95 LEU HG H 1 1.56 0 . 1 . . . . . 163 LEU HG . 53816 1 799 . 1 . 1 95 95 LEU HD11 H 1 0.893 0 . 1 . . . . . 163 LEU HD1 . 53816 1 800 . 1 . 1 95 95 LEU HD12 H 1 0.893 0 . 1 . . . . . 163 LEU HD1 . 53816 1 801 . 1 . 1 95 95 LEU HD13 H 1 0.893 0 . 1 . . . . . 163 LEU HD1 . 53816 1 802 . 1 . 1 95 95 LEU HD21 H 1 0.893 0 . 1 . . . . . 163 LEU HD2 . 53816 1 803 . 1 . 1 95 95 LEU HD22 H 1 0.893 0 . 1 . . . . . 163 LEU HD2 . 53816 1 804 . 1 . 1 95 95 LEU HD23 H 1 0.893 0 . 1 . . . . . 163 LEU HD2 . 53816 1 805 . 1 . 1 95 95 LEU C C 13 175.768 0 . 1 . . . . . 163 LEU C . 53816 1 806 . 1 . 1 95 95 LEU CA C 13 54.976 0.184 . 1 . . . . . 163 LEU CA . 53816 1 807 . 1 . 1 95 95 LEU CB C 13 42.651 0.089 . 1 . . . . . 163 LEU CB . 53816 1 808 . 1 . 1 95 95 LEU N N 15 121.183 0 . 1 . . . . . 163 LEU N . 53816 1 809 . 1 . 1 96 96 LEU H H 1 8.304 0.005 . 1 . . . . . 164 LEU H . 53816 1 810 . 1 . 1 96 96 LEU HA H 1 4.188 0 . 1 . . . . . 164 LEU HA . 53816 1 811 . 1 . 1 96 96 LEU HB2 H 1 1.845 0 . 1 . . . . . 164 LEU HB2 . 53816 1 812 . 1 . 1 96 96 LEU HB3 H 1 1.837 0 . 1 . . . . . 164 LEU HB3 . 53816 1 813 . 1 . 1 96 96 LEU HG H 1 1.845 0 . 1 . . . . . 164 LEU HG . 53816 1 814 . 1 . 1 96 96 LEU HD11 H 1 0.86 0 . 1 . . . . . 164 LEU HD1 . 53816 1 815 . 1 . 1 96 96 LEU HD12 H 1 0.86 0 . 1 . . . . . 164 LEU HD1 . 53816 1 816 . 1 . 1 96 96 LEU HD13 H 1 0.86 0 . 1 . . . . . 164 LEU HD1 . 53816 1 817 . 1 . 1 96 96 LEU HD21 H 1 0.868 0 . 1 . . . . . 164 LEU HD2 . 53816 1 818 . 1 . 1 96 96 LEU HD22 H 1 0.868 0 . 1 . . . . . 164 LEU HD2 . 53816 1 819 . 1 . 1 96 96 LEU HD23 H 1 0.868 0 . 1 . . . . . 164 LEU HD2 . 53816 1 820 . 1 . 1 96 96 LEU C C 13 175.769 0 . 1 . . . . . 164 LEU C . 53816 1 821 . 1 . 1 96 96 LEU CA C 13 55.036 0.068 . 1 . . . . . 164 LEU CA . 53816 1 822 . 1 . 1 96 96 LEU CB C 13 42.571 0.089 . 1 . . . . . 164 LEU CB . 53816 1 823 . 1 . 1 96 96 LEU N N 15 124.25 0 . 1 . . . . . 164 LEU N . 53816 1 824 . 1 . 1 97 97 ILE H H 1 8.304 0.006 . 1 . . . . . 165 ILE H . 53816 1 825 . 1 . 1 97 97 ILE HA H 1 4.182 0 . 1 . . . . . 165 ILE HA . 53816 1 826 . 1 . 1 97 97 ILE HB H 1 1.835 0 . 1 . . . . . 165 ILE HB . 53816 1 827 . 1 . 1 97 97 ILE HG12 H 1 1.176 0 . 1 . . . . . 165 ILE HG1 . 53816 1 828 . 1 . 1 97 97 ILE HG13 H 1 1.176 0 . 1 . . . . . 165 ILE HG1 . 53816 1 829 . 1 . 1 97 97 ILE HG21 H 1 0.851 0 . 1 . . . . . 165 ILE HG2 . 53816 1 830 . 1 . 1 97 97 ILE HG22 H 1 0.851 0 . 1 . . . . . 165 ILE HG2 . 53816 1 831 . 1 . 1 97 97 ILE HG23 H 1 0.851 0 . 1 . . . . . 165 ILE HG2 . 53816 1 832 . 1 . 1 97 97 ILE HD11 H 1 0.851 0 . 1 . . . . . 165 ILE HD1 . 53816 1 833 . 1 . 1 97 97 ILE HD12 H 1 0.851 0 . 1 . . . . . 165 ILE HD1 . 53816 1 834 . 1 . 1 97 97 ILE HD13 H 1 0.851 0 . 1 . . . . . 165 ILE HD1 . 53816 1 835 . 1 . 1 97 97 ILE C C 13 176.679 0 . 1 . . . . . 165 ILE C . 53816 1 836 . 1 . 1 97 97 ILE CA C 13 60.748 0.1 . 1 . . . . . 165 ILE CA . 53816 1 837 . 1 . 1 97 97 ILE CB C 13 38.634 0.104 . 1 . . . . . 165 ILE CB . 53816 1 838 . 1 . 1 97 97 ILE N N 15 124.245 0 . 1 . . . . . 165 ILE N . 53816 1 839 . 1 . 1 98 98 ILE H H 1 8.29 0.007 . 1 . . . . . 166 ILE H . 53816 1 840 . 1 . 1 98 98 ILE HA H 1 4.208 0 . 1 . . . . . 166 ILE HA . 53816 1 841 . 1 . 1 98 98 ILE HB H 1 1.823 0 . 1 . . . . . 166 ILE HB . 53816 1 842 . 1 . 1 98 98 ILE HG12 H 1 1.167 0 . 1 . . . . . 166 ILE HG1 . 53816 1 843 . 1 . 1 98 98 ILE HG13 H 1 1.167 0 . 1 . . . . . 166 ILE HG1 . 53816 1 844 . 1 . 1 98 98 ILE HG21 H 1 0.886 0 . 1 . . . . . 166 ILE HG2 . 53816 1 845 . 1 . 1 98 98 ILE HG22 H 1 0.886 0 . 1 . . . . . 166 ILE HG2 . 53816 1 846 . 1 . 1 98 98 ILE HG23 H 1 0.886 0 . 1 . . . . . 166 ILE HG2 . 53816 1 847 . 1 . 1 98 98 ILE HD11 H 1 0.886 0 . 1 . . . . . 166 ILE HD1 . 53816 1 848 . 1 . 1 98 98 ILE HD12 H 1 0.886 0 . 1 . . . . . 166 ILE HD1 . 53816 1 849 . 1 . 1 98 98 ILE HD13 H 1 0.886 0 . 1 . . . . . 166 ILE HD1 . 53816 1 850 . 1 . 1 98 98 ILE C C 13 176.59 0 . 1 . . . . . 166 ILE C . 53816 1 851 . 1 . 1 98 98 ILE CA C 13 60.624 0.051 . 1 . . . . . 166 ILE CA . 53816 1 852 . 1 . 1 98 98 ILE CB C 13 38.733 0.069 . 1 . . . . . 166 ILE CB . 53816 1 853 . 1 . 1 98 98 ILE N N 15 126.176 0 . 1 . . . . . 166 ILE N . 53816 1 854 . 1 . 1 99 99 GLU H H 1 8.461 0.008 . 1 . . . . . 167 GLU H . 53816 1 855 . 1 . 1 99 99 GLU HA H 1 4.291 0 . 1 . . . . . 167 GLU HA . 53816 1 856 . 1 . 1 99 99 GLU HB2 H 1 2.031 0 . 1 . . . . . 167 GLU HB2 . 53816 1 857 . 1 . 1 99 99 GLU HB3 H 1 1.883 0 . 1 . . . . . 167 GLU HB3 . 53816 1 858 . 1 . 1 99 99 GLU HG2 H 1 2.233 0 . 1 . . . . . 167 GLU HG2 . 53816 1 859 . 1 . 1 99 99 GLU HG3 H 1 2.219 0 . 1 . . . . . 167 GLU HG3 . 53816 1 860 . 1 . 1 99 99 GLU C C 13 177.006 0 . 1 . . . . . 167 GLU C . 53816 1 861 . 1 . 1 99 99 GLU CA C 13 56.218 0.115 . 1 . . . . . 167 GLU CA . 53816 1 862 . 1 . 1 99 99 GLU CB C 13 30.38 0.478 . 1 . . . . . 167 GLU CB . 53816 1 863 . 1 . 1 99 99 GLU N N 15 125.973 0 . 1 . . . . . 167 GLU N . 53816 1 864 . 1 . 1 100 100 ALA H H 1 8.358 0.008 . 1 . . . . . 168 ALA H . 53816 1 865 . 1 . 1 100 100 ALA HA H 1 4.58 0 . 1 . . . . . 168 ALA HA . 53816 1 866 . 1 . 1 100 100 ALA HB1 H 1 1.37 0 . 1 . . . . . 168 ALA HB . 53816 1 867 . 1 . 1 100 100 ALA HB2 H 1 1.37 0 . 1 . . . . . 168 ALA HB . 53816 1 868 . 1 . 1 100 100 ALA HB3 H 1 1.37 0 . 1 . . . . . 168 ALA HB . 53816 1 869 . 1 . 1 100 100 ALA CA C 13 50.458 0 . 1 . . . . . 168 ALA CA . 53816 1 870 . 1 . 1 100 100 ALA CB C 13 18.145 0 . 1 . . . . . 168 ALA CB . 53816 1 871 . 1 . 1 100 100 ALA N N 15 126.805 0.022 . 1 . . . . . 168 ALA N . 53816 1 872 . 1 . 1 101 101 PRO C C 13 175.652 0 . 1 . . . . . 169 PRO C . 53816 1 873 . 1 . 1 101 101 PRO CA C 13 63.085 0.096 . 1 . . . . . 169 PRO CA . 53816 1 874 . 1 . 1 101 101 PRO CB C 13 32.177 0.073 . 1 . . . . . 169 PRO CB . 53816 1 875 . 1 . 1 102 102 GLN H H 1 8.515 0.008 . 1 . . . . . 170 GLN H . 53816 1 876 . 1 . 1 102 102 GLN HA H 1 4.309 0 . 1 . . . . . 170 GLN HA . 53816 1 877 . 1 . 1 102 102 GLN HB2 H 1 2.052 0 . 1 . . . . . 170 GLN HB2 . 53816 1 878 . 1 . 1 102 102 GLN HB3 H 1 1.915 0 . 1 . . . . . 170 GLN HB3 . 53816 1 879 . 1 . 1 102 102 GLN HG2 H 1 2.373 0 . 1 . . . . . 170 GLN HG2 . 53816 1 880 . 1 . 1 102 102 GLN HG3 H 1 2.373 0 . 1 . . . . . 170 GLN HG3 . 53816 1 881 . 1 . 1 102 102 GLN C C 13 176.613 0 . 1 . . . . . 170 GLN C . 53816 1 882 . 1 . 1 102 102 GLN CA C 13 55.799 0.067 . 1 . . . . . 170 GLN CA . 53816 1 883 . 1 . 1 102 102 GLN CB C 13 29.667 0.081 . 1 . . . . . 170 GLN CB . 53816 1 884 . 1 . 1 102 102 GLN N N 15 121.142 0.042 . 1 . . . . . 170 GLN N . 53816 1 885 . 1 . 1 103 103 VAL H H 1 8.183 0.008 . 1 . . . . . 171 VAL H . 53816 1 886 . 1 . 1 103 103 VAL HA H 1 4.407 0 . 1 . . . . . 171 VAL HA . 53816 1 887 . 1 . 1 103 103 VAL HB H 1 2.063 0 . 1 . . . . . 171 VAL HB . 53816 1 888 . 1 . 1 103 103 VAL HG11 H 1 0.954 0 . 1 . . . . . 171 VAL HG1 . 53816 1 889 . 1 . 1 103 103 VAL HG12 H 1 0.954 0 . 1 . . . . . 171 VAL HG1 . 53816 1 890 . 1 . 1 103 103 VAL HG13 H 1 0.954 0 . 1 . . . . . 171 VAL HG1 . 53816 1 891 . 1 . 1 103 103 VAL HG21 H 1 0.954 0 . 1 . . . . . 171 VAL HG2 . 53816 1 892 . 1 . 1 103 103 VAL HG22 H 1 0.954 0 . 1 . . . . . 171 VAL HG2 . 53816 1 893 . 1 . 1 103 103 VAL HG23 H 1 0.954 0 . 1 . . . . . 171 VAL HG2 . 53816 1 894 . 1 . 1 103 103 VAL CA C 13 59.781 0 . 1 . . . . . 171 VAL CA . 53816 1 895 . 1 . 1 103 103 VAL CB C 13 32.49 0 . 1 . . . . . 171 VAL CB . 53816 1 896 . 1 . 1 103 103 VAL N N 15 122.618 0 . 1 . . . . . 171 VAL N . 53816 1 897 . 1 . 1 105 105 PRO C C 13 175.964 0 . 1 . . . . . 173 PRO C . 53816 1 898 . 1 . 1 105 105 PRO CA C 13 63.102 0.125 . 1 . . . . . 173 PRO CA . 53816 1 899 . 1 . 1 105 105 PRO CB C 13 31.904 0.142 . 1 . . . . . 173 PRO CB . 53816 1 900 . 1 . 1 106 106 TYR H H 1 7.991 0.008 . 1 . . . . . 174 TYR H . 53816 1 901 . 1 . 1 106 106 TYR HA H 1 4.529 0 . 1 . . . . . 174 TYR HA . 53816 1 902 . 1 . 1 106 106 TYR HB2 H 1 3.023 0 . 1 . . . . . 174 TYR HB2 . 53816 1 903 . 1 . 1 106 106 TYR HB3 H 1 3.013 0 . 1 . . . . . 174 TYR HB3 . 53816 1 904 . 1 . 1 106 106 TYR C C 13 176.707 0 . 1 . . . . . 174 TYR C . 53816 1 905 . 1 . 1 106 106 TYR CA C 13 57.963 0.044 . 1 . . . . . 174 TYR CA . 53816 1 906 . 1 . 1 106 106 TYR CB C 13 38.753 0.052 . 1 . . . . . 174 TYR CB . 53816 1 907 . 1 . 1 106 106 TYR N N 15 119.557 0 . 1 . . . . . 174 TYR N . 53816 1 908 . 1 . 1 107 107 SER H H 1 8.172 0.008 . 1 . . . . . 175 SER H . 53816 1 909 . 1 . 1 107 107 SER HA H 1 4.471 0 . 1 . . . . . 175 SER HA . 53816 1 910 . 1 . 1 107 107 SER HB2 H 1 3.745 0 . 1 . . . . . 175 SER HB2 . 53816 1 911 . 1 . 1 107 107 SER HB3 H 1 3.745 0 . 1 . . . . . 175 SER HB3 . 53816 1 912 . 1 . 1 107 107 SER C C 13 178.058 0 . 1 . . . . . 175 SER C . 53816 1 913 . 1 . 1 107 107 SER CA C 13 58.043 0.075 . 1 . . . . . 175 SER CA . 53816 1 914 . 1 . 1 107 107 SER CB C 13 64.1 0.136 . 1 . . . . . 175 SER CB . 53816 1 915 . 1 . 1 107 107 SER N N 15 117.262 0 . 1 . . . . . 175 SER N . 53816 1 916 . 1 . 1 108 108 THR H H 1 8.141 0.009 . 1 . . . . . 176 THR H . 53816 1 917 . 1 . 1 108 108 THR HA H 1 4.34 0 . 1 . . . . . 176 THR HA . 53816 1 918 . 1 . 1 108 108 THR HB H 1 4.187 0 . 1 . . . . . 176 THR HB . 53816 1 919 . 1 . 1 108 108 THR HG21 H 1 1.132 0 . 1 . . . . . 176 THR HG2 . 53816 1 920 . 1 . 1 108 108 THR HG22 H 1 1.132 0 . 1 . . . . . 176 THR HG2 . 53816 1 921 . 1 . 1 108 108 THR HG23 H 1 1.132 0 . 1 . . . . . 176 THR HG2 . 53816 1 922 . 1 . 1 108 108 THR C C 13 176.984 0 . 1 . . . . . 176 THR C . 53816 1 923 . 1 . 1 108 108 THR CA C 13 61.83 0.076 . 1 . . . . . 176 THR CA . 53816 1 924 . 1 . 1 108 108 THR CB C 13 69.69 0.087 . 1 . . . . . 176 THR CB . 53816 1 925 . 1 . 1 108 108 THR N N 15 115.76 0 . 1 . . . . . 176 THR N . 53816 1 926 . 1 . 1 109 109 PHE H H 1 8.221 0.01 . 1 . . . . . 177 PHE H . 53816 1 927 . 1 . 1 109 109 PHE HA H 1 4.646 0 . 1 . . . . . 177 PHE HA . 53816 1 928 . 1 . 1 109 109 PHE HB2 H 1 3.146 0 . 1 . . . . . 177 PHE HB2 . 53816 1 929 . 1 . 1 109 109 PHE HB3 H 1 2.97 0 . 1 . . . . . 177 PHE HB3 . 53816 1 930 . 1 . 1 109 109 PHE C C 13 176.297 0 . 1 . . . . . 177 PHE C . 53816 1 931 . 1 . 1 109 109 PHE CA C 13 58.034 0.121 . 1 . . . . . 177 PHE CA . 53816 1 932 . 1 . 1 109 109 PHE CB C 13 39.655 0.062 . 1 . . . . . 177 PHE CB . 53816 1 933 . 1 . 1 109 109 PHE N N 15 121.796 0 . 1 . . . . . 177 PHE N . 53816 1 934 . 1 . 1 110 110 GLY H H 1 8.252 0.008 . 1 . . . . . 178 GLY H . 53816 1 935 . 1 . 1 110 110 GLY HA2 H 1 3.882 0 . 1 . . . . . 178 GLY HA2 . 53816 1 936 . 1 . 1 110 110 GLY HA3 H 1 3.882 0 . 1 . . . . . 178 GLY HA3 . 53816 1 937 . 1 . 1 110 110 GLY C C 13 176.557 0 . 1 . . . . . 178 GLY C . 53816 1 938 . 1 . 1 110 110 GLY CA C 13 45.265 0.131 . 1 . . . . . 178 GLY CA . 53816 1 939 . 1 . 1 110 110 GLY N N 15 110.636 0 . 1 . . . . . 178 GLY N . 53816 1 940 . 1 . 1 111 111 GLU H H 1 8.248 0.006 . 1 . . . . . 179 GLU H . 53816 1 941 . 1 . 1 111 111 GLU HA H 1 4.33 0 . 1 . . . . . 179 GLU HA . 53816 1 942 . 1 . 1 111 111 GLU HB2 H 1 2.082 0 . 1 . . . . . 179 GLU HB2 . 53816 1 943 . 1 . 1 111 111 GLU HB3 H 1 1.948 0 . 1 . . . . . 179 GLU HB3 . 53816 1 944 . 1 . 1 111 111 GLU HG2 H 1 2.268 0 . 1 . . . . . 179 GLU HG2 . 53816 1 945 . 1 . 1 111 111 GLU HG3 H 1 2.268 0 . 1 . . . . . 179 GLU HG3 . 53816 1 946 . 1 . 1 111 111 GLU C C 13 175.792 0 . 1 . . . . . 179 GLU C . 53816 1 947 . 1 . 1 111 111 GLU CA C 13 56.668 0.155 . 1 . . . . . 179 GLU CA . 53816 1 948 . 1 . 1 111 111 GLU CB C 13 30.526 0.088 . 1 . . . . . 179 GLU CB . 53816 1 949 . 1 . 1 111 111 GLU N N 15 120.766 0 . 1 . . . . . 179 GLU N . 53816 1 950 . 1 . 1 112 112 SER H H 1 8.418 0.007 . 1 . . . . . 180 SER H . 53816 1 951 . 1 . 1 112 112 SER HA H 1 4.471 0 . 1 . . . . . 180 SER HA . 53816 1 952 . 1 . 1 112 112 SER HB2 H 1 3.831 0 . 1 . . . . . 180 SER HB2 . 53816 1 953 . 1 . 1 112 112 SER HB3 H 1 3.831 0 . 1 . . . . . 180 SER HB3 . 53816 1 954 . 1 . 1 112 112 SER C C 13 178.011 0 . 1 . . . . . 180 SER C . 53816 1 955 . 1 . 1 112 112 SER CA C 13 58.418 0.071 . 1 . . . . . 180 SER CA . 53816 1 956 . 1 . 1 112 112 SER CB C 13 63.961 0.116 . 1 . . . . . 180 SER CB . 53816 1 957 . 1 . 1 112 112 SER N N 15 116.84 0 . 1 . . . . . 180 SER N . 53816 1 958 . 1 . 1 113 113 SER H H 1 8.285 0.008 . 1 . . . . . 181 SER H . 53816 1 959 . 1 . 1 113 113 SER HA H 1 4.443 0 . 1 . . . . . 181 SER HA . 53816 1 960 . 1 . 1 113 113 SER HB2 H 1 3.754 0 . 1 . . . . . 181 SER HB2 . 53816 1 961 . 1 . 1 113 113 SER HB3 H 1 3.754 0 . 1 . . . . . 181 SER HB3 . 53816 1 962 . 1 . 1 113 113 SER C C 13 176.961 0 . 1 . . . . . 181 SER C . 53816 1 963 . 1 . 1 113 113 SER CA C 13 58.257 0.295 . 1 . . . . . 181 SER CA . 53816 1 964 . 1 . 1 113 113 SER CB C 13 63.966 0.106 . 1 . . . . . 181 SER CB . 53816 1 965 . 1 . 1 113 113 SER N N 15 117.773 0 . 1 . . . . . 181 SER N . 53816 1 966 . 1 . 1 114 114 PHE H H 1 8.217 0.007 . 1 . . . . . 182 PHE H . 53816 1 967 . 1 . 1 114 114 PHE HA H 1 4.626 0 . 1 . . . . . 182 PHE HA . 53816 1 968 . 1 . 1 114 114 PHE HB2 H 1 3.162 0 . 1 . . . . . 182 PHE HB2 . 53816 1 969 . 1 . 1 114 114 PHE HB3 H 1 2.946 0 . 1 . . . . . 182 PHE HB3 . 53816 1 970 . 1 . 1 114 114 PHE C C 13 177.203 0 . 1 . . . . . 182 PHE C . 53816 1 971 . 1 . 1 114 114 PHE CA C 13 57.854 0.008 . 1 . . . . . 182 PHE CA . 53816 1 972 . 1 . 1 114 114 PHE CB C 13 39.527 0.24 . 1 . . . . . 182 PHE CB . 53816 1 973 . 1 . 1 114 114 PHE N N 15 121.796 0 . 1 . . . . . 182 PHE N . 53816 1 974 . 1 . 1 115 115 ASN H H 1 8.371 0.008 . 1 . . . . . 183 ASN H . 53816 1 975 . 1 . 1 115 115 ASN HA H 1 4.709 0 . 1 . . . . . 183 ASN HA . 53816 1 976 . 1 . 1 115 115 ASN HB2 H 1 2.805 0 . 1 . . . . . 183 ASN HB2 . 53816 1 977 . 1 . 1 115 115 ASN HB3 H 1 2.671 0 . 1 . . . . . 183 ASN HB3 . 53816 1 978 . 1 . 1 115 115 ASN C C 13 177.929 0 . 1 . . . . . 183 ASN C . 53816 1 979 . 1 . 1 115 115 ASN CA C 13 53.24 0.087 . 1 . . . . . 183 ASN CA . 53816 1 980 . 1 . 1 115 115 ASN CB C 13 39.229 0.075 . 1 . . . . . 183 ASN CB . 53816 1 981 . 1 . 1 115 115 ASN N N 15 120.233 0.015 . 1 . . . . . 183 ASN N . 53816 1 982 . 1 . 1 116 116 ASN H H 1 8.333 0.008 . 1 . . . . . 184 ASN H . 53816 1 983 . 1 . 1 116 116 ASN HA H 1 4.715 0 . 1 . . . . . 184 ASN HA . 53816 1 984 . 1 . 1 116 116 ASN HB2 H 1 2.846 0 . 1 . . . . . 184 ASN HB2 . 53816 1 985 . 1 . 1 116 116 ASN HB3 H 1 2.697 0 . 1 . . . . . 184 ASN HB3 . 53816 1 986 . 1 . 1 116 116 ASN C C 13 178.348 0 . 1 . . . . . 184 ASN C . 53816 1 987 . 1 . 1 116 116 ASN CA C 13 53.42 0.072 . 1 . . . . . 184 ASN CA . 53816 1 988 . 1 . 1 116 116 ASN CB C 13 39.199 0.165 . 1 . . . . . 184 ASN CB . 53816 1 989 . 1 . 1 116 116 ASN N N 15 119.826 0 . 1 . . . . . 184 ASN N . 53816 1 990 . 1 . 1 117 117 GLU H H 1 7.934 0.008 . 1 . . . . . 185 GLU H . 53816 1 991 . 1 . 1 117 117 GLU HA H 1 4.094 0 . 1 . . . . . 185 GLU HA . 53816 1 992 . 1 . 1 117 117 GLU HB2 H 1 2.037 0 . 1 . . . . . 185 GLU HB2 . 53816 1 993 . 1 . 1 117 117 GLU HB3 H 1 1.893 0 . 1 . . . . . 185 GLU HB3 . 53816 1 994 . 1 . 1 117 117 GLU HG2 H 1 2.204 0 . 1 . . . . . 185 GLU HG2 . 53816 1 995 . 1 . 1 117 117 GLU HG3 H 1 2.204 0 . 1 . . . . . 185 GLU HG3 . 53816 1 996 . 1 . 1 117 117 GLU CA C 13 58.232 0 . 1 . . . . . 185 GLU CA . 53816 1 997 . 1 . 1 117 117 GLU CB C 13 31.055 0 . 1 . . . . . 185 GLU CB . 53816 1 998 . 1 . 1 117 117 GLU N N 15 125.82 0 . 1 . . . . . 185 GLU N . 53816 1 stop_ save_