################################### # 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 16545 _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 1 '2D 1H-15N HSQC' . . . 16545 1 2 '2D 1H-13C HSQC' . . . 16545 1 3 '3D CBCA(CO)NH (with NUS)' . . . 16545 1 4 '3D HBHA(CO)NH (with NUS)' . . . 16545 1 5 '3D HNCO (with NUS)' . . . 16545 1 6 '3D HNCA (with NUS)' . . . 16545 1 7 '3D 1H-15N NOESY (with NUS)' . . . 16545 1 8 '3D 1H-13C NOESY (aliph) (with NUS)' . . . 16545 1 9 '3D HCCH-TOCSY (HCH,aliph) (with NUS)' . . . 16545 1 10 '3D HCCH-TOCSY (CCH,aliph) (with NUS)' . . . 16545 1 11 '3D 1H-13C NOESY (arom) (with NUS)' . . . 16545 1 12 '3D HCCH-TOCSY (HCH.arom) (with NUS)' . . . 16545 1 13 '3D HCCH-TOCSY (CCH,arom) (with NUS)' . . . 16545 1 14 '2D HBCBCGCDHD' . . . 16545 1 15 '2D HBCBCGCDCEHE' . . . 16545 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 5 $ABACUS . . 16545 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.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 4 4 MET HA H 1 4.459 0.04 . 1 . . . . . 1 MET HA . 16545 1 2 . 1 1 4 4 MET HB2 H 1 2.013 0.04 . 2 . . . . . 1 MET HB2 . 16545 1 3 . 1 1 4 4 MET HB3 H 1 2.013 0.04 . 2 . . . . . 1 MET HB3 . 16545 1 4 . 1 1 4 4 MET HG2 H 1 2.516 0.04 . 2 . . . . . 1 MET HG2 . 16545 1 5 . 1 1 4 4 MET HG3 H 1 2.516 0.04 . 2 . . . . . 1 MET HG3 . 16545 1 6 . 1 1 4 4 MET CA C 13 55.758 0.40 . 1 . . . . . 1 MET CA . 16545 1 7 . 1 1 4 4 MET CB C 13 31.600 0.40 . 1 . . . . . 1 MET CB . 16545 1 8 . 1 1 4 4 MET CG C 13 31.826 0.40 . 1 . . . . . 1 MET CG . 16545 1 9 . 1 1 6 6 THR HA H 1 4.195 0.04 . 1 . . . . . 3 THR HA . 16545 1 10 . 1 1 6 6 THR HB H 1 4.309 0.04 . 1 . . . . . 3 THR HB . 16545 1 11 . 1 1 6 6 THR HG21 H 1 1.178 0.04 . 1 . . . . . 3 THR HG2 . 16545 1 12 . 1 1 6 6 THR HG22 H 1 1.178 0.04 . 1 . . . . . 3 THR HG2 . 16545 1 13 . 1 1 6 6 THR HG23 H 1 1.178 0.04 . 1 . . . . . 3 THR HG2 . 16545 1 14 . 1 1 6 6 THR CA C 13 62.633 0.40 . 1 . . . . . 3 THR CA . 16545 1 15 . 1 1 6 6 THR CB C 13 69.144 0.40 . 1 . . . . . 3 THR CB . 16545 1 16 . 1 1 6 6 THR CG2 C 13 22.017 0.40 . 1 . . . . . 3 THR CG2 . 16545 1 17 . 1 1 7 7 SER HA H 1 4.374 0.04 . 1 . . . . . 4 SER HA . 16545 1 18 . 1 1 7 7 SER HB2 H 1 3.835 0.04 . 2 . . . . . 4 SER HB2 . 16545 1 19 . 1 1 7 7 SER HB3 H 1 3.835 0.04 . 2 . . . . . 4 SER HB3 . 16545 1 20 . 1 1 7 7 SER CA C 13 59.135 0.40 . 1 . . . . . 4 SER CA . 16545 1 21 . 1 1 7 7 SER CB C 13 63.585 0.40 . 1 . . . . . 4 SER CB . 16545 1 22 . 1 1 9 9 HIS HA H 1 4.467 0.04 . 1 . . . . . 6 HIS HA . 16545 1 23 . 1 1 9 9 HIS HB2 H 1 3.147 0.04 . 2 . . . . . 6 HIS HB2 . 16545 1 24 . 1 1 9 9 HIS HB3 H 1 3.096 0.04 . 2 . . . . . 6 HIS HB3 . 16545 1 25 . 1 1 9 9 HIS C C 13 176.279 0.4 . 1 . . . . . 6 HIS C . 16545 1 26 . 1 1 9 9 HIS CA C 13 57.989 0.40 . 1 . . . . . 6 HIS CA . 16545 1 27 . 1 1 9 9 HIS CB C 13 30.302 0.40 . 1 . . . . . 6 HIS CB . 16545 1 28 . 1 1 10 10 LEU H H 1 8.084 0.04 . 1 . . . . . 7 LEU H . 16545 1 29 . 1 1 10 10 LEU HA H 1 4.359 0.04 . 1 . . . . . 7 LEU HA . 16545 1 30 . 1 1 10 10 LEU HB2 H 1 1.734 0.04 . 2 . . . . . 7 LEU HB2 . 16545 1 31 . 1 1 10 10 LEU HB3 H 1 1.549 0.04 . 2 . . . . . 7 LEU HB3 . 16545 1 32 . 1 1 10 10 LEU HD11 H 1 0.762 0.04 . 1 . . . . . 7 LEU HD1 . 16545 1 33 . 1 1 10 10 LEU HD12 H 1 0.762 0.04 . 1 . . . . . 7 LEU HD1 . 16545 1 34 . 1 1 10 10 LEU HD13 H 1 0.762 0.04 . 1 . . . . . 7 LEU HD1 . 16545 1 35 . 1 1 10 10 LEU HD21 H 1 0.720 0.04 . 1 . . . . . 7 LEU HD2 . 16545 1 36 . 1 1 10 10 LEU HD22 H 1 0.720 0.04 . 1 . . . . . 7 LEU HD2 . 16545 1 37 . 1 1 10 10 LEU HD23 H 1 0.720 0.04 . 1 . . . . . 7 LEU HD2 . 16545 1 38 . 1 1 10 10 LEU HG H 1 1.116 0.04 . 1 . . . . . 7 LEU HG . 16545 1 39 . 1 1 10 10 LEU C C 13 177.988 0.4 . 1 . . . . . 7 LEU C . 16545 1 40 . 1 1 10 10 LEU CA C 13 55.573 0.40 . 1 . . . . . 7 LEU CA . 16545 1 41 . 1 1 10 10 LEU CB C 13 42.755 0.40 . 1 . . . . . 7 LEU CB . 16545 1 42 . 1 1 10 10 LEU CD1 C 13 25.242 0.40 . 1 . . . . . 7 LEU CD1 . 16545 1 43 . 1 1 10 10 LEU CD2 C 13 22.603 0.40 . 1 . . . . . 7 LEU CD2 . 16545 1 44 . 1 1 10 10 LEU CG C 13 26.558 0.40 . 1 . . . . . 7 LEU CG . 16545 1 45 . 1 1 10 10 LEU N N 15 120.533 0.40 . 1 . . . . . 7 LEU N . 16545 1 46 . 1 1 11 11 LEU H H 1 7.718 0.04 . 1 . . . . . 8 LEU H . 16545 1 47 . 1 1 11 11 LEU HA H 1 4.304 0.04 . 1 . . . . . 8 LEU HA . 16545 1 48 . 1 1 11 11 LEU HB2 H 1 1.964 0.04 . 2 . . . . . 8 LEU HB2 . 16545 1 49 . 1 1 11 11 LEU HB3 H 1 1.369 0.04 . 2 . . . . . 8 LEU HB3 . 16545 1 50 . 1 1 11 11 LEU HD11 H 1 0.892 0.04 . 1 . . . . . 8 LEU HD1 . 16545 1 51 . 1 1 11 11 LEU HD12 H 1 0.892 0.04 . 1 . . . . . 8 LEU HD1 . 16545 1 52 . 1 1 11 11 LEU HD13 H 1 0.892 0.04 . 1 . . . . . 8 LEU HD1 . 16545 1 53 . 1 1 11 11 LEU HD21 H 1 0.857 0.04 . 1 . . . . . 8 LEU HD2 . 16545 1 54 . 1 1 11 11 LEU HD22 H 1 0.857 0.04 . 1 . . . . . 8 LEU HD2 . 16545 1 55 . 1 1 11 11 LEU HD23 H 1 0.857 0.04 . 1 . . . . . 8 LEU HD2 . 16545 1 56 . 1 1 11 11 LEU HG H 1 1.737 0.04 . 1 . . . . . 8 LEU HG . 16545 1 57 . 1 1 11 11 LEU CA C 13 59.047 0.40 . 1 . . . . . 8 LEU CA . 16545 1 58 . 1 1 11 11 LEU CB C 13 39.451 0.40 . 1 . . . . . 8 LEU CB . 16545 1 59 . 1 1 11 11 LEU CD1 C 13 25.730 0.40 . 1 . . . . . 8 LEU CD1 . 16545 1 60 . 1 1 11 11 LEU CD2 C 13 23.770 0.40 . 1 . . . . . 8 LEU CD2 . 16545 1 61 . 1 1 11 11 LEU CG C 13 27.067 0.40 . 1 . . . . . 8 LEU CG . 16545 1 62 . 1 1 11 11 LEU N N 15 117.427 0.40 . 1 . . . . . 8 LEU N . 16545 1 63 . 1 1 12 12 PRO HA H 1 4.053 0.04 . 1 . . . . . 9 PRO HA . 16545 1 64 . 1 1 12 12 PRO HB2 H 1 2.478 0.04 . 2 . . . . . 9 PRO HB2 . 16545 1 65 . 1 1 12 12 PRO HB3 H 1 1.884 0.04 . 2 . . . . . 9 PRO HB3 . 16545 1 66 . 1 1 12 12 PRO HD2 H 1 3.691 0.04 . 2 . . . . . 9 PRO HD2 . 16545 1 67 . 1 1 12 12 PRO HD3 H 1 3.589 0.04 . 2 . . . . . 9 PRO HD3 . 16545 1 68 . 1 1 12 12 PRO HG2 H 1 2.149 0.04 . 2 . . . . . 9 PRO HG2 . 16545 1 69 . 1 1 12 12 PRO HG3 H 1 1.759 0.04 . 2 . . . . . 9 PRO HG3 . 16545 1 70 . 1 1 12 12 PRO C C 13 178.263 0.4 . 1 . . . . . 9 PRO C . 16545 1 71 . 1 1 12 12 PRO CA C 13 67.584 0.40 . 1 . . . . . 9 PRO CA . 16545 1 72 . 1 1 12 12 PRO CB C 13 30.822 0.40 . 1 . . . . . 9 PRO CB . 16545 1 73 . 1 1 12 12 PRO CD C 13 49.430 0.40 . 1 . . . . . 9 PRO CD . 16545 1 74 . 1 1 12 12 PRO CG C 13 28.748 0.40 . 1 . . . . . 9 PRO CG . 16545 1 75 . 1 1 13 13 GLY H H 1 8.181 0.04 . 1 . . . . . 10 GLY H . 16545 1 76 . 1 1 13 13 GLY HA2 H 1 4.088 0.04 . 2 . . . . . 10 GLY HA2 . 16545 1 77 . 1 1 13 13 GLY HA3 H 1 3.739 0.04 . 2 . . . . . 10 GLY HA3 . 16545 1 78 . 1 1 13 13 GLY C C 13 176.432 0.4 . 1 . . . . . 10 GLY C . 16545 1 79 . 1 1 13 13 GLY CA C 13 47.330 0.40 . 1 . . . . . 10 GLY CA . 16545 1 80 . 1 1 13 13 GLY N N 15 103.483 0.40 . 1 . . . . . 10 GLY N . 16545 1 81 . 1 1 14 14 LEU H H 1 7.746 0.04 . 1 . . . . . 11 LEU H . 16545 1 82 . 1 1 14 14 LEU HA H 1 3.399 0.04 . 1 . . . . . 11 LEU HA . 16545 1 83 . 1 1 14 14 LEU HB2 H 1 2.214 0.04 . 2 . . . . . 11 LEU HB2 . 16545 1 84 . 1 1 14 14 LEU HB3 H 1 1.554 0.04 . 2 . . . . . 11 LEU HB3 . 16545 1 85 . 1 1 14 14 LEU HD11 H 1 0.755 0.04 . 1 . . . . . 11 LEU HD1 . 16545 1 86 . 1 1 14 14 LEU HD12 H 1 0.755 0.04 . 1 . . . . . 11 LEU HD1 . 16545 1 87 . 1 1 14 14 LEU HD13 H 1 0.755 0.04 . 1 . . . . . 11 LEU HD1 . 16545 1 88 . 1 1 14 14 LEU HD21 H 1 0.779 0.04 . 1 . . . . . 11 LEU HD2 . 16545 1 89 . 1 1 14 14 LEU HD22 H 1 0.779 0.04 . 1 . . . . . 11 LEU HD2 . 16545 1 90 . 1 1 14 14 LEU HD23 H 1 0.779 0.04 . 1 . . . . . 11 LEU HD2 . 16545 1 91 . 1 1 14 14 LEU HG H 1 1.298 0.04 . 1 . . . . . 11 LEU HG . 16545 1 92 . 1 1 14 14 LEU C C 13 177.834 0.4 . 1 . . . . . 11 LEU C . 16545 1 93 . 1 1 14 14 LEU CA C 13 57.645 0.40 . 1 . . . . . 11 LEU CA . 16545 1 94 . 1 1 14 14 LEU CB C 13 41.601 0.40 . 1 . . . . . 11 LEU CB . 16545 1 95 . 1 1 14 14 LEU CD1 C 13 27.194 0.40 . 1 . . . . . 11 LEU CD1 . 16545 1 96 . 1 1 14 14 LEU CD2 C 13 23.612 0.40 . 1 . . . . . 11 LEU CD2 . 16545 1 97 . 1 1 14 14 LEU CG C 13 26.583 0.40 . 1 . . . . . 11 LEU CG . 16545 1 98 . 1 1 14 14 LEU N N 15 123.784 0.40 . 1 . . . . . 11 LEU N . 16545 1 99 . 1 1 15 15 PHE H H 1 8.872 0.04 . 1 . . . . . 12 PHE H . 16545 1 100 . 1 1 15 15 PHE HA H 1 3.485 0.04 . 1 . . . . . 12 PHE HA . 16545 1 101 . 1 1 15 15 PHE HB2 H 1 3.073 0.04 . 2 . . . . . 12 PHE HB2 . 16545 1 102 . 1 1 15 15 PHE HB3 H 1 2.502 0.04 . 2 . . . . . 12 PHE HB3 . 16545 1 103 . 1 1 15 15 PHE HZ H 1 6.853 0.04 . 1 . . . . . 12 PHE HZ . 16545 1 104 . 1 1 15 15 PHE C C 13 178.117 0.4 . 1 . . . . . 12 PHE C . 16545 1 105 . 1 1 15 15 PHE CA C 13 63.133 0.40 . 1 . . . . . 12 PHE CA . 16545 1 106 . 1 1 15 15 PHE CB C 13 36.600 0.40 . 1 . . . . . 12 PHE CB . 16545 1 107 . 1 1 15 15 PHE CZ C 13 128.357 0.40 . 1 . . . . . 12 PHE CZ . 16545 1 108 . 1 1 15 15 PHE N N 15 120.682 0.40 . 1 . . . . . 12 PHE N . 16545 1 109 . 1 1 16 16 ARG H H 1 8.231 0.04 . 1 . . . . . 13 ARG H . 16545 1 110 . 1 1 16 16 ARG HA H 1 4.066 0.04 . 1 . . . . . 13 ARG HA . 16545 1 111 . 1 1 16 16 ARG HB2 H 1 1.988 0.04 . 2 . . . . . 13 ARG HB2 . 16545 1 112 . 1 1 16 16 ARG HB3 H 1 1.710 0.04 . 2 . . . . . 13 ARG HB3 . 16545 1 113 . 1 1 16 16 ARG HD2 H 1 3.336 0.04 . 2 . . . . . 13 ARG HD2 . 16545 1 114 . 1 1 16 16 ARG HD3 H 1 3.049 0.04 . 2 . . . . . 13 ARG HD3 . 16545 1 115 . 1 1 16 16 ARG HG2 H 1 1.849 0.04 . 2 . . . . . 13 ARG HG2 . 16545 1 116 . 1 1 16 16 ARG HG3 H 1 1.418 0.04 . 2 . . . . . 13 ARG HG3 . 16545 1 117 . 1 1 16 16 ARG C C 13 181.008 0.4 . 1 . . . . . 13 ARG C . 16545 1 118 . 1 1 16 16 ARG CA C 13 60.177 0.40 . 1 . . . . . 13 ARG CA . 16545 1 119 . 1 1 16 16 ARG CB C 13 30.128 0.40 . 1 . . . . . 13 ARG CB . 16545 1 120 . 1 1 16 16 ARG CD C 13 43.898 0.40 . 1 . . . . . 13 ARG CD . 16545 1 121 . 1 1 16 16 ARG CG C 13 28.567 0.40 . 1 . . . . . 13 ARG CG . 16545 1 122 . 1 1 16 16 ARG N N 15 117.780 0.40 . 1 . . . . . 13 ARG N . 16545 1 123 . 1 1 17 17 GLN H H 1 7.309 0.04 . 1 . . . . . 14 GLN H . 16545 1 124 . 1 1 17 17 GLN HA H 1 3.444 0.04 . 1 . . . . . 14 GLN HA . 16545 1 125 . 1 1 17 17 GLN HB2 H 1 1.186 0.04 . 2 . . . . . 14 GLN HB2 . 16545 1 126 . 1 1 17 17 GLN HB3 H 1 0.762 0.04 . 2 . . . . . 14 GLN HB3 . 16545 1 127 . 1 1 17 17 GLN HG2 H 1 1.693 0.04 . 2 . . . . . 14 GLN HG2 . 16545 1 128 . 1 1 17 17 GLN HG3 H 1 0.900 0.04 . 2 . . . . . 14 GLN HG3 . 16545 1 129 . 1 1 17 17 GLN C C 13 177.700 0.4 . 1 . . . . . 14 GLN C . 16545 1 130 . 1 1 17 17 GLN CA C 13 57.472 0.40 . 1 . . . . . 14 GLN CA . 16545 1 131 . 1 1 17 17 GLN CB C 13 27.463 0.40 . 1 . . . . . 14 GLN CB . 16545 1 132 . 1 1 17 17 GLN CG C 13 32.295 0.40 . 1 . . . . . 14 GLN CG . 16545 1 133 . 1 1 17 17 GLN N N 15 119.579 0.40 . 1 . . . . . 14 GLN N . 16545 1 134 . 1 1 18 18 LEU H H 1 7.230 0.04 . 1 . . . . . 15 LEU H . 16545 1 135 . 1 1 18 18 LEU HA H 1 3.738 0.04 . 1 . . . . . 15 LEU HA . 16545 1 136 . 1 1 18 18 LEU HB2 H 1 1.469 0.04 . 2 . . . . . 15 LEU HB2 . 16545 1 137 . 1 1 18 18 LEU HB3 H 1 1.037 0.04 . 2 . . . . . 15 LEU HB3 . 16545 1 138 . 1 1 18 18 LEU HD11 H 1 -0.012 0.04 . 1 . . . . . 15 LEU HD1 . 16545 1 139 . 1 1 18 18 LEU HD12 H 1 -0.012 0.04 . 1 . . . . . 15 LEU HD1 . 16545 1 140 . 1 1 18 18 LEU HD13 H 1 -0.012 0.04 . 1 . . . . . 15 LEU HD1 . 16545 1 141 . 1 1 18 18 LEU HD21 H 1 0.179 0.04 . 1 . . . . . 15 LEU HD2 . 16545 1 142 . 1 1 18 18 LEU HD22 H 1 0.179 0.04 . 1 . . . . . 15 LEU HD2 . 16545 1 143 . 1 1 18 18 LEU HD23 H 1 0.179 0.04 . 1 . . . . . 15 LEU HD2 . 16545 1 144 . 1 1 18 18 LEU HG H 1 1.222 0.04 . 1 . . . . . 15 LEU HG . 16545 1 145 . 1 1 18 18 LEU C C 13 176.555 0.4 . 1 . . . . . 15 LEU C . 16545 1 146 . 1 1 18 18 LEU CA C 13 54.593 0.40 . 1 . . . . . 15 LEU CA . 16545 1 147 . 1 1 18 18 LEU CB C 13 42.828 0.40 . 1 . . . . . 15 LEU CB . 16545 1 148 . 1 1 18 18 LEU CD1 C 13 25.029 0.40 . 1 . . . . . 15 LEU CD1 . 16545 1 149 . 1 1 18 18 LEU CD2 C 13 22.729 0.40 . 1 . . . . . 15 LEU CD2 . 16545 1 150 . 1 1 18 18 LEU CG C 13 25.826 0.40 . 1 . . . . . 15 LEU CG . 16545 1 151 . 1 1 18 18 LEU N N 15 116.165 0.40 . 1 . . . . . 15 LEU N . 16545 1 152 . 1 1 19 19 GLY H H 1 7.638 0.04 . 1 . . . . . 16 GLY H . 16545 1 153 . 1 1 19 19 GLY HA2 H 1 3.882 0.04 . 2 . . . . . 16 GLY HA2 . 16545 1 154 . 1 1 19 19 GLY HA3 H 1 3.638 0.04 . 2 . . . . . 16 GLY HA3 . 16545 1 155 . 1 1 19 19 GLY C C 13 174.121 0.4 . 1 . . . . . 16 GLY C . 16545 1 156 . 1 1 19 19 GLY CA C 13 45.749 0.40 . 1 . . . . . 16 GLY CA . 16545 1 157 . 1 1 19 19 GLY N N 15 109.100 0.40 . 1 . . . . . 16 GLY N . 16545 1 158 . 1 1 20 20 LEU H H 1 7.792 0.04 . 1 . . . . . 17 LEU H . 16545 1 159 . 1 1 20 20 LEU HA H 1 4.464 0.04 . 1 . . . . . 17 LEU HA . 16545 1 160 . 1 1 20 20 LEU HB2 H 1 1.330 0.04 . 2 . . . . . 17 LEU HB2 . 16545 1 161 . 1 1 20 20 LEU HB3 H 1 1.285 0.04 . 2 . . . . . 17 LEU HB3 . 16545 1 162 . 1 1 20 20 LEU HD11 H 1 0.729 0.04 . 1 . . . . . 17 LEU HD1 . 16545 1 163 . 1 1 20 20 LEU HD12 H 1 0.729 0.04 . 1 . . . . . 17 LEU HD1 . 16545 1 164 . 1 1 20 20 LEU HD13 H 1 0.729 0.04 . 1 . . . . . 17 LEU HD1 . 16545 1 165 . 1 1 20 20 LEU HD21 H 1 -0.162 0.04 . 1 . . . . . 17 LEU HD2 . 16545 1 166 . 1 1 20 20 LEU HD22 H 1 -0.162 0.04 . 1 . . . . . 17 LEU HD2 . 16545 1 167 . 1 1 20 20 LEU HD23 H 1 -0.162 0.04 . 1 . . . . . 17 LEU HD2 . 16545 1 168 . 1 1 20 20 LEU HG H 1 1.043 0.04 . 1 . . . . . 17 LEU HG . 16545 1 169 . 1 1 20 20 LEU C C 13 176.332 0.4 . 1 . . . . . 17 LEU C . 16545 1 170 . 1 1 20 20 LEU CA C 13 52.640 0.40 . 1 . . . . . 17 LEU CA . 16545 1 171 . 1 1 20 20 LEU CB C 13 45.179 0.40 . 1 . . . . . 17 LEU CB . 16545 1 172 . 1 1 20 20 LEU CD1 C 13 22.723 0.40 . 1 . . . . . 17 LEU CD1 . 16545 1 173 . 1 1 20 20 LEU CD2 C 13 25.443 0.40 . 1 . . . . . 17 LEU CD2 . 16545 1 174 . 1 1 20 20 LEU CG C 13 26.504 0.40 . 1 . . . . . 17 LEU CG . 16545 1 175 . 1 1 20 20 LEU N N 15 120.852 0.40 . 1 . . . . . 17 LEU N . 16545 1 176 . 1 1 21 21 GLU H H 1 8.202 0.04 . 1 . . . . . 18 GLU H . 16545 1 177 . 1 1 21 21 GLU HA H 1 3.943 0.04 . 1 . . . . . 18 GLU HA . 16545 1 178 . 1 1 21 21 GLU HB2 H 1 2.005 0.04 . 2 . . . . . 18 GLU HB2 . 16545 1 179 . 1 1 21 21 GLU HB3 H 1 1.885 0.04 . 2 . . . . . 18 GLU HB3 . 16545 1 180 . 1 1 21 21 GLU HG2 H 1 2.348 0.04 . 2 . . . . . 18 GLU HG2 . 16545 1 181 . 1 1 21 21 GLU HG3 H 1 2.278 0.04 . 2 . . . . . 18 GLU HG3 . 16545 1 182 . 1 1 21 21 GLU C C 13 176.695 0.4 . 1 . . . . . 18 GLU C . 16545 1 183 . 1 1 21 21 GLU CA C 13 58.639 0.40 . 1 . . . . . 18 GLU CA . 16545 1 184 . 1 1 21 21 GLU CB C 13 30.334 0.40 . 1 . . . . . 18 GLU CB . 16545 1 185 . 1 1 21 21 GLU CG C 13 37.151 0.40 . 1 . . . . . 18 GLU CG . 16545 1 186 . 1 1 21 21 GLU N N 15 120.801 0.40 . 1 . . . . . 18 GLU N . 16545 1 187 . 1 1 22 22 ASP H H 1 8.223 0.04 . 1 . . . . . 19 ASP H . 16545 1 188 . 1 1 22 22 ASP HA H 1 4.363 0.04 . 1 . . . . . 19 ASP HA . 16545 1 189 . 1 1 22 22 ASP HB2 H 1 2.968 0.04 . 2 . . . . . 19 ASP HB2 . 16545 1 190 . 1 1 22 22 ASP HB3 H 1 2.279 0.04 . 2 . . . . . 19 ASP HB3 . 16545 1 191 . 1 1 22 22 ASP C C 13 175.481 0.4 . 1 . . . . . 19 ASP C . 16545 1 192 . 1 1 22 22 ASP CA C 13 53.189 0.40 . 1 . . . . . 19 ASP CA . 16545 1 193 . 1 1 22 22 ASP CB C 13 41.840 0.40 . 1 . . . . . 19 ASP CB . 16545 1 194 . 1 1 22 22 ASP N N 15 118.440 0.40 . 1 . . . . . 19 ASP N . 16545 1 195 . 1 1 23 23 GLU H H 1 7.221 0.04 . 1 . . . . . 20 GLU H . 16545 1 196 . 1 1 23 23 GLU HA H 1 4.430 0.04 . 1 . . . . . 20 GLU HA . 16545 1 197 . 1 1 23 23 GLU HB3 H 1 1.971 0.04 . 2 . . . . . 20 GLU HB3 . 16545 1 198 . 1 1 23 23 GLU HG2 H 1 2.396 0.04 . 2 . . . . . 20 GLU HG2 . 16545 1 199 . 1 1 23 23 GLU HG3 H 1 2.396 0.04 . 2 . . . . . 20 GLU HG3 . 16545 1 200 . 1 1 23 23 GLU CA C 13 55.184 0.40 . 1 . . . . . 20 GLU CA . 16545 1 201 . 1 1 23 23 GLU CB C 13 29.451 0.40 . 1 . . . . . 20 GLU CB . 16545 1 202 . 1 1 23 23 GLU CG C 13 36.531 0.40 . 1 . . . . . 20 GLU CG . 16545 1 203 . 1 1 23 23 GLU N N 15 121.257 0.40 . 1 . . . . . 20 GLU N . 16545 1 204 . 1 1 24 24 PRO HA H 1 3.909 0.04 . 1 . . . . . 21 PRO HA . 16545 1 205 . 1 1 24 24 PRO HB2 H 1 2.303 0.04 . 2 . . . . . 21 PRO HB2 . 16545 1 206 . 1 1 24 24 PRO HB3 H 1 1.914 0.04 . 2 . . . . . 21 PRO HB3 . 16545 1 207 . 1 1 24 24 PRO HD2 H 1 3.934 0.04 . 2 . . . . . 21 PRO HD2 . 16545 1 208 . 1 1 24 24 PRO HD3 H 1 3.787 0.04 . 2 . . . . . 21 PRO HD3 . 16545 1 209 . 1 1 24 24 PRO HG2 H 1 2.164 0.04 . 2 . . . . . 21 PRO HG2 . 16545 1 210 . 1 1 24 24 PRO HG3 H 1 1.967 0.04 . 2 . . . . . 21 PRO HG3 . 16545 1 211 . 1 1 24 24 PRO C C 13 179.036 0.4 . 1 . . . . . 21 PRO C . 16545 1 212 . 1 1 24 24 PRO CA C 13 66.908 0.40 . 1 . . . . . 21 PRO CA . 16545 1 213 . 1 1 24 24 PRO CB C 13 32.012 0.40 . 1 . . . . . 21 PRO CB . 16545 1 214 . 1 1 24 24 PRO CD C 13 50.301 0.40 . 1 . . . . . 21 PRO CD . 16545 1 215 . 1 1 24 24 PRO CG C 13 27.789 0.40 . 1 . . . . . 21 PRO CG . 16545 1 216 . 1 1 25 25 ALA H H 1 8.791 0.04 . 1 . . . . . 22 ALA H . 16545 1 217 . 1 1 25 25 ALA HA H 1 4.029 0.04 . 1 . . . . . 22 ALA HA . 16545 1 218 . 1 1 25 25 ALA HB1 H 1 1.388 0.04 . 1 . . . . . 22 ALA HB . 16545 1 219 . 1 1 25 25 ALA HB2 H 1 1.388 0.04 . 1 . . . . . 22 ALA HB . 16545 1 220 . 1 1 25 25 ALA HB3 H 1 1.388 0.04 . 1 . . . . . 22 ALA HB . 16545 1 221 . 1 1 25 25 ALA C C 13 180.346 0.4 . 1 . . . . . 22 ALA C . 16545 1 222 . 1 1 25 25 ALA CA C 13 55.213 0.40 . 1 . . . . . 22 ALA CA . 16545 1 223 . 1 1 25 25 ALA CB C 13 18.088 0.40 . 1 . . . . . 22 ALA CB . 16545 1 224 . 1 1 25 25 ALA N N 15 118.892 0.40 . 1 . . . . . 22 ALA N . 16545 1 225 . 1 1 26 26 ALA H H 1 7.330 0.04 . 1 . . . . . 23 ALA H . 16545 1 226 . 1 1 26 26 ALA HA H 1 4.211 0.04 . 1 . . . . . 23 ALA HA . 16545 1 227 . 1 1 26 26 ALA HB1 H 1 1.444 0.04 . 1 . . . . . 23 ALA HB . 16545 1 228 . 1 1 26 26 ALA HB2 H 1 1.444 0.04 . 1 . . . . . 23 ALA HB . 16545 1 229 . 1 1 26 26 ALA HB3 H 1 1.444 0.04 . 1 . . . . . 23 ALA HB . 16545 1 230 . 1 1 26 26 ALA C C 13 181.491 0.4 . 1 . . . . . 23 ALA C . 16545 1 231 . 1 1 26 26 ALA CA C 13 54.338 0.40 . 1 . . . . . 23 ALA CA . 16545 1 232 . 1 1 26 26 ALA CB C 13 18.748 0.40 . 1 . . . . . 23 ALA CB . 16545 1 233 . 1 1 26 26 ALA N N 15 122.434 0.40 . 1 . . . . . 23 ALA N . 16545 1 234 . 1 1 27 27 ILE H H 1 8.067 0.04 . 1 . . . . . 24 ILE H . 16545 1 235 . 1 1 27 27 ILE HA H 1 3.267 0.04 . 1 . . . . . 24 ILE HA . 16545 1 236 . 1 1 27 27 ILE HB H 1 1.513 0.04 . 1 . . . . . 24 ILE HB . 16545 1 237 . 1 1 27 27 ILE HD11 H 1 0.228 0.04 . 1 . . . . . 24 ILE HD1 . 16545 1 238 . 1 1 27 27 ILE HD12 H 1 0.228 0.04 . 1 . . . . . 24 ILE HD1 . 16545 1 239 . 1 1 27 27 ILE HD13 H 1 0.228 0.04 . 1 . . . . . 24 ILE HD1 . 16545 1 240 . 1 1 27 27 ILE HG12 H 1 1.184 0.04 . 2 . . . . . 24 ILE HG12 . 16545 1 241 . 1 1 27 27 ILE HG13 H 1 -0.426 0.04 . 2 . . . . . 24 ILE HG13 . 16545 1 242 . 1 1 27 27 ILE HG21 H 1 0.268 0.04 . 1 . . . . . 24 ILE HG2 . 16545 1 243 . 1 1 27 27 ILE HG22 H 1 0.268 0.04 . 1 . . . . . 24 ILE HG2 . 16545 1 244 . 1 1 27 27 ILE HG23 H 1 0.268 0.04 . 1 . . . . . 24 ILE HG2 . 16545 1 245 . 1 1 27 27 ILE C C 13 177.683 0.4 . 1 . . . . . 24 ILE C . 16545 1 246 . 1 1 27 27 ILE CA C 13 65.752 0.40 . 1 . . . . . 24 ILE CA . 16545 1 247 . 1 1 27 27 ILE CB C 13 37.690 0.40 . 1 . . . . . 24 ILE CB . 16545 1 248 . 1 1 27 27 ILE CD1 C 13 13.680 0.40 . 1 . . . . . 24 ILE CD1 . 16545 1 249 . 1 1 27 27 ILE CG1 C 13 27.426 0.40 . 1 . . . . . 24 ILE CG1 . 16545 1 250 . 1 1 27 27 ILE CG2 C 13 16.254 0.40 . 1 . . . . . 24 ILE CG2 . 16545 1 251 . 1 1 27 27 ILE N N 15 123.464 0.40 . 1 . . . . . 24 ILE N . 16545 1 252 . 1 1 28 28 ARG H H 1 7.722 0.04 . 1 . . . . . 25 ARG H . 16545 1 253 . 1 1 28 28 ARG HA H 1 3.814 0.04 . 1 . . . . . 25 ARG HA . 16545 1 254 . 1 1 28 28 ARG HB2 H 1 1.847 0.04 . 2 . . . . . 25 ARG HB2 . 16545 1 255 . 1 1 28 28 ARG HB3 H 1 1.814 0.04 . 2 . . . . . 25 ARG HB3 . 16545 1 256 . 1 1 28 28 ARG HD2 H 1 3.219 0.04 . 2 . . . . . 25 ARG HD2 . 16545 1 257 . 1 1 28 28 ARG HD3 H 1 3.144 0.04 . 2 . . . . . 25 ARG HD3 . 16545 1 258 . 1 1 28 28 ARG HG2 H 1 1.643 0.04 . 2 . . . . . 25 ARG HG2 . 16545 1 259 . 1 1 28 28 ARG HG3 H 1 1.611 0.04 . 2 . . . . . 25 ARG HG3 . 16545 1 260 . 1 1 28 28 ARG C C 13 177.899 0.4 . 1 . . . . . 25 ARG C . 16545 1 261 . 1 1 28 28 ARG CA C 13 59.443 0.40 . 1 . . . . . 25 ARG CA . 16545 1 262 . 1 1 28 28 ARG CB C 13 29.806 0.40 . 1 . . . . . 25 ARG CB . 16545 1 263 . 1 1 28 28 ARG CD C 13 43.066 0.40 . 1 . . . . . 25 ARG CD . 16545 1 264 . 1 1 28 28 ARG CG C 13 26.900 0.40 . 1 . . . . . 25 ARG CG . 16545 1 265 . 1 1 28 28 ARG N N 15 118.718 0.40 . 1 . . . . . 25 ARG N . 16545 1 266 . 1 1 29 29 ALA H H 1 7.847 0.04 . 1 . . . . . 26 ALA H . 16545 1 267 . 1 1 29 29 ALA HA H 1 4.133 0.04 . 1 . . . . . 26 ALA HA . 16545 1 268 . 1 1 29 29 ALA HB1 H 1 1.461 0.04 . 1 . . . . . 26 ALA HB . 16545 1 269 . 1 1 29 29 ALA HB2 H 1 1.461 0.04 . 1 . . . . . 26 ALA HB . 16545 1 270 . 1 1 29 29 ALA HB3 H 1 1.461 0.04 . 1 . . . . . 26 ALA HB . 16545 1 271 . 1 1 29 29 ALA C C 13 180.838 0.4 . 1 . . . . . 26 ALA C . 16545 1 272 . 1 1 29 29 ALA CA C 13 55.054 0.40 . 1 . . . . . 26 ALA CA . 16545 1 273 . 1 1 29 29 ALA CB C 13 17.945 0.40 . 1 . . . . . 26 ALA CB . 16545 1 274 . 1 1 29 29 ALA N N 15 119.437 0.40 . 1 . . . . . 26 ALA N . 16545 1 275 . 1 1 30 30 PHE H H 1 8.263 0.04 . 1 . . . . . 27 PHE H . 16545 1 276 . 1 1 30 30 PHE HA H 1 4.022 0.04 . 1 . . . . . 27 PHE HA . 16545 1 277 . 1 1 30 30 PHE HB2 H 1 3.493 0.04 . 2 . . . . . 27 PHE HB2 . 16545 1 278 . 1 1 30 30 PHE HB3 H 1 3.270 0.04 . 2 . . . . . 27 PHE HB3 . 16545 1 279 . 1 1 30 30 PHE HZ H 1 6.337 0.04 . 1 . . . . . 27 PHE HZ . 16545 1 280 . 1 1 30 30 PHE C C 13 179.267 0.4 . 1 . . . . . 27 PHE C . 16545 1 281 . 1 1 30 30 PHE CA C 13 62.304 0.40 . 1 . . . . . 27 PHE CA . 16545 1 282 . 1 1 30 30 PHE CB C 13 39.416 0.40 . 1 . . . . . 27 PHE CB . 16545 1 283 . 1 1 30 30 PHE CZ C 13 130.279 0.40 . 1 . . . . . 27 PHE CZ . 16545 1 284 . 1 1 30 30 PHE N N 15 120.893 0.40 . 1 . . . . . 27 PHE N . 16545 1 285 . 1 1 31 31 ILE H H 1 8.654 0.04 . 1 . . . . . 28 ILE H . 16545 1 286 . 1 1 31 31 ILE HA H 1 3.547 0.04 . 1 . . . . . 28 ILE HA . 16545 1 287 . 1 1 31 31 ILE HB H 1 1.967 0.04 . 1 . . . . . 28 ILE HB . 16545 1 288 . 1 1 31 31 ILE HD11 H 1 0.857 0.04 . 1 . . . . . 28 ILE HD1 . 16545 1 289 . 1 1 31 31 ILE HD12 H 1 0.857 0.04 . 1 . . . . . 28 ILE HD1 . 16545 1 290 . 1 1 31 31 ILE HD13 H 1 0.857 0.04 . 1 . . . . . 28 ILE HD1 . 16545 1 291 . 1 1 31 31 ILE HG12 H 1 2.005 0.04 . 2 . . . . . 28 ILE HG12 . 16545 1 292 . 1 1 31 31 ILE HG13 H 1 1.211 0.04 . 2 . . . . . 28 ILE HG13 . 16545 1 293 . 1 1 31 31 ILE HG21 H 1 0.879 0.04 . 1 . . . . . 28 ILE HG2 . 16545 1 294 . 1 1 31 31 ILE HG22 H 1 0.879 0.04 . 1 . . . . . 28 ILE HG2 . 16545 1 295 . 1 1 31 31 ILE HG23 H 1 0.879 0.04 . 1 . . . . . 28 ILE HG2 . 16545 1 296 . 1 1 31 31 ILE C C 13 178.213 0.4 . 1 . . . . . 28 ILE C . 16545 1 297 . 1 1 31 31 ILE CA C 13 65.083 0.40 . 1 . . . . . 28 ILE CA . 16545 1 298 . 1 1 31 31 ILE CB C 13 38.150 0.40 . 1 . . . . . 28 ILE CB . 16545 1 299 . 1 1 31 31 ILE CD1 C 13 15.153 0.40 . 1 . . . . . 28 ILE CD1 . 16545 1 300 . 1 1 31 31 ILE CG1 C 13 29.441 0.40 . 1 . . . . . 28 ILE CG1 . 16545 1 301 . 1 1 31 31 ILE CG2 C 13 17.557 0.40 . 1 . . . . . 28 ILE CG2 . 16545 1 302 . 1 1 31 31 ILE N N 15 122.718 0.40 . 1 . . . . . 28 ILE N . 16545 1 303 . 1 1 32 32 ASP H H 1 8.209 0.04 . 1 . . . . . 29 ASP H . 16545 1 304 . 1 1 32 32 ASP HA H 1 4.278 0.04 . 1 . . . . . 29 ASP HA . 16545 1 305 . 1 1 32 32 ASP HB2 H 1 2.578 0.04 . 2 . . . . . 29 ASP HB2 . 16545 1 306 . 1 1 32 32 ASP HB3 H 1 2.578 0.04 . 2 . . . . . 29 ASP HB3 . 16545 1 307 . 1 1 32 32 ASP C C 13 177.131 0.4 . 1 . . . . . 29 ASP C . 16545 1 308 . 1 1 32 32 ASP CA C 13 56.807 0.40 . 1 . . . . . 29 ASP CA . 16545 1 309 . 1 1 32 32 ASP CB C 13 40.777 0.40 . 1 . . . . . 29 ASP CB . 16545 1 310 . 1 1 32 32 ASP N N 15 118.039 0.40 . 1 . . . . . 29 ASP N . 16545 1 311 . 1 1 33 33 SER H H 1 7.331 0.04 . 1 . . . . . 30 SER H . 16545 1 312 . 1 1 33 33 SER HA H 1 4.290 0.04 . 1 . . . . . 30 SER HA . 16545 1 313 . 1 1 33 33 SER HB2 H 1 3.652 0.04 . 2 . . . . . 30 SER HB2 . 16545 1 314 . 1 1 33 33 SER HB3 H 1 3.559 0.04 . 2 . . . . . 30 SER HB3 . 16545 1 315 . 1 1 33 33 SER C C 13 173.634 0.4 . 1 . . . . . 30 SER C . 16545 1 316 . 1 1 33 33 SER CA C 13 57.691 0.40 . 1 . . . . . 30 SER CA . 16545 1 317 . 1 1 33 33 SER CB C 13 64.645 0.40 . 1 . . . . . 30 SER CB . 16545 1 318 . 1 1 33 33 SER N N 15 108.550 0.40 . 1 . . . . . 30 SER N . 16545 1 319 . 1 1 34 34 HIS H H 1 7.015 0.04 . 1 . . . . . 31 HIS H . 16545 1 320 . 1 1 34 34 HIS HA H 1 4.298 0.04 . 1 . . . . . 31 HIS HA . 16545 1 321 . 1 1 34 34 HIS HB2 H 1 1.661 0.04 . 2 . . . . . 31 HIS HB2 . 16545 1 322 . 1 1 34 34 HIS HB3 H 1 1.596 0.04 . 2 . . . . . 31 HIS HB3 . 16545 1 323 . 1 1 34 34 HIS CA C 13 54.792 0.40 . 1 . . . . . 31 HIS CA . 16545 1 324 . 1 1 34 34 HIS CB C 13 27.262 0.40 . 1 . . . . . 31 HIS CB . 16545 1 325 . 1 1 34 34 HIS N N 15 120.176 0.40 . 1 . . . . . 31 HIS N . 16545 1 326 . 1 1 35 35 PRO HA H 1 4.673 0.04 . 1 . . . . . 32 PRO HA . 16545 1 327 . 1 1 35 35 PRO HB2 H 1 2.102 0.04 . 2 . . . . . 32 PRO HB2 . 16545 1 328 . 1 1 35 35 PRO HB3 H 1 1.745 0.04 . 2 . . . . . 32 PRO HB3 . 16545 1 329 . 1 1 35 35 PRO HD2 H 1 3.165 0.04 . 2 . . . . . 32 PRO HD2 . 16545 1 330 . 1 1 35 35 PRO HD3 H 1 3.059 0.04 . 2 . . . . . 32 PRO HD3 . 16545 1 331 . 1 1 35 35 PRO HG2 H 1 1.909 0.04 . 2 . . . . . 32 PRO HG2 . 16545 1 332 . 1 1 35 35 PRO HG3 H 1 1.865 0.04 . 2 . . . . . 32 PRO HG3 . 16545 1 333 . 1 1 35 35 PRO C C 13 177.605 0.4 . 1 . . . . . 32 PRO C . 16545 1 334 . 1 1 35 35 PRO CA C 13 63.117 0.40 . 1 . . . . . 32 PRO CA . 16545 1 335 . 1 1 35 35 PRO CB C 13 31.555 0.40 . 1 . . . . . 32 PRO CB . 16545 1 336 . 1 1 35 35 PRO CD C 13 49.396 0.40 . 1 . . . . . 32 PRO CD . 16545 1 337 . 1 1 35 35 PRO CG C 13 27.482 0.40 . 1 . . . . . 32 PRO CG . 16545 1 338 . 1 1 36 36 LEU H H 1 8.133 0.04 . 1 . . . . . 33 LEU H . 16545 1 339 . 1 1 36 36 LEU HA H 1 4.888 0.04 . 1 . . . . . 33 LEU HA . 16545 1 340 . 1 1 36 36 LEU HB2 H 1 1.705 0.04 . 2 . . . . . 33 LEU HB2 . 16545 1 341 . 1 1 36 36 LEU HB3 H 1 1.423 0.04 . 2 . . . . . 33 LEU HB3 . 16545 1 342 . 1 1 36 36 LEU HD11 H 1 0.999 0.04 . 1 . . . . . 33 LEU HD1 . 16545 1 343 . 1 1 36 36 LEU HD12 H 1 0.999 0.04 . 1 . . . . . 33 LEU HD1 . 16545 1 344 . 1 1 36 36 LEU HD13 H 1 0.999 0.04 . 1 . . . . . 33 LEU HD1 . 16545 1 345 . 1 1 36 36 LEU HD21 H 1 0.981 0.04 . 1 . . . . . 33 LEU HD2 . 16545 1 346 . 1 1 36 36 LEU HD22 H 1 0.981 0.04 . 1 . . . . . 33 LEU HD2 . 16545 1 347 . 1 1 36 36 LEU HD23 H 1 0.981 0.04 . 1 . . . . . 33 LEU HD2 . 16545 1 348 . 1 1 36 36 LEU HG H 1 1.896 0.04 . 1 . . . . . 33 LEU HG . 16545 1 349 . 1 1 36 36 LEU CA C 13 51.412 0.40 . 1 . . . . . 33 LEU CA . 16545 1 350 . 1 1 36 36 LEU CB C 13 45.434 0.40 . 1 . . . . . 33 LEU CB . 16545 1 351 . 1 1 36 36 LEU CD1 C 13 25.607 0.40 . 1 . . . . . 33 LEU CD1 . 16545 1 352 . 1 1 36 36 LEU CD2 C 13 25.395 0.40 . 1 . . . . . 33 LEU CD2 . 16545 1 353 . 1 1 36 36 LEU CG C 13 26.750 0.40 . 1 . . . . . 33 LEU CG . 16545 1 354 . 1 1 36 36 LEU N N 15 123.442 0.40 . 1 . . . . . 33 LEU N . 16545 1 355 . 1 1 37 37 PRO HA H 1 4.720 0.04 . 1 . . . . . 34 PRO HA . 16545 1 356 . 1 1 37 37 PRO HB2 H 1 2.456 0.04 . 2 . . . . . 34 PRO HB2 . 16545 1 357 . 1 1 37 37 PRO HB3 H 1 1.799 0.04 . 2 . . . . . 34 PRO HB3 . 16545 1 358 . 1 1 37 37 PRO HD2 H 1 4.069 0.04 . 2 . . . . . 34 PRO HD2 . 16545 1 359 . 1 1 37 37 PRO HD3 H 1 3.351 0.04 . 2 . . . . . 34 PRO HD3 . 16545 1 360 . 1 1 37 37 PRO HG2 H 1 2.025 0.04 . 2 . . . . . 34 PRO HG2 . 16545 1 361 . 1 1 37 37 PRO HG3 H 1 2.025 0.04 . 2 . . . . . 34 PRO HG3 . 16545 1 362 . 1 1 37 37 PRO CA C 13 61.192 0.40 . 1 . . . . . 34 PRO CA . 16545 1 363 . 1 1 37 37 PRO CB C 13 30.706 0.40 . 1 . . . . . 34 PRO CB . 16545 1 364 . 1 1 37 37 PRO CD C 13 50.797 0.40 . 1 . . . . . 34 PRO CD . 16545 1 365 . 1 1 37 37 PRO CG C 13 27.631 0.40 . 1 . . . . . 34 PRO CG . 16545 1 366 . 1 1 38 38 PRO HA H 1 4.230 0.04 . 1 . . . . . 35 PRO HA . 16545 1 367 . 1 1 38 38 PRO HB2 H 1 2.270 0.04 . 2 . . . . . 35 PRO HB2 . 16545 1 368 . 1 1 38 38 PRO HB3 H 1 1.808 0.04 . 2 . . . . . 35 PRO HB3 . 16545 1 369 . 1 1 38 38 PRO HD2 H 1 3.787 0.04 . 2 . . . . . 35 PRO HD2 . 16545 1 370 . 1 1 38 38 PRO HD3 H 1 3.623 0.04 . 2 . . . . . 35 PRO HD3 . 16545 1 371 . 1 1 38 38 PRO HG2 H 1 2.030 0.04 . 2 . . . . . 35 PRO HG2 . 16545 1 372 . 1 1 38 38 PRO HG3 H 1 1.990 0.04 . 2 . . . . . 35 PRO HG3 . 16545 1 373 . 1 1 38 38 PRO C C 13 176.910 0.4 . 1 . . . . . 35 PRO C . 16545 1 374 . 1 1 38 38 PRO CA C 13 63.981 0.40 . 1 . . . . . 35 PRO CA . 16545 1 375 . 1 1 38 38 PRO CB C 13 32.003 0.40 . 1 . . . . . 35 PRO CB . 16545 1 376 . 1 1 38 38 PRO CD C 13 50.293 0.40 . 1 . . . . . 35 PRO CD . 16545 1 377 . 1 1 38 38 PRO CG C 13 27.718 0.40 . 1 . . . . . 35 PRO CG . 16545 1 378 . 1 1 39 39 ARG H H 1 8.266 0.04 . 1 . . . . . 36 ARG H . 16545 1 379 . 1 1 39 39 ARG HA H 1 3.905 0.04 . 1 . . . . . 36 ARG HA . 16545 1 380 . 1 1 39 39 ARG HB2 H 1 1.966 0.04 . 2 . . . . . 36 ARG HB2 . 16545 1 381 . 1 1 39 39 ARG HB3 H 1 1.966 0.04 . 2 . . . . . 36 ARG HB3 . 16545 1 382 . 1 1 39 39 ARG HD2 H 1 3.207 0.04 . 2 . . . . . 36 ARG HD2 . 16545 1 383 . 1 1 39 39 ARG HD3 H 1 3.122 0.04 . 2 . . . . . 36 ARG HD3 . 16545 1 384 . 1 1 39 39 ARG C C 13 175.716 0.4 . 1 . . . . . 36 ARG C . 16545 1 385 . 1 1 39 39 ARG CA C 13 57.281 0.40 . 1 . . . . . 36 ARG CA . 16545 1 386 . 1 1 39 39 ARG CB C 13 27.767 0.40 . 1 . . . . . 36 ARG CB . 16545 1 387 . 1 1 39 39 ARG CD C 13 43.178 0.40 . 1 . . . . . 36 ARG CD . 16545 1 388 . 1 1 39 39 ARG N N 15 113.105 0.40 . 1 . . . . . 36 ARG N . 16545 1 389 . 1 1 40 40 VAL H H 1 7.509 0.04 . 1 . . . . . 37 VAL H . 16545 1 390 . 1 1 40 40 VAL HA H 1 4.304 0.04 . 1 . . . . . 37 VAL HA . 16545 1 391 . 1 1 40 40 VAL HB H 1 1.934 0.04 . 1 . . . . . 37 VAL HB . 16545 1 392 . 1 1 40 40 VAL HG11 H 1 0.814 0.04 . 1 . . . . . 37 VAL HG1 . 16545 1 393 . 1 1 40 40 VAL HG12 H 1 0.814 0.04 . 1 . . . . . 37 VAL HG1 . 16545 1 394 . 1 1 40 40 VAL HG13 H 1 0.814 0.04 . 1 . . . . . 37 VAL HG1 . 16545 1 395 . 1 1 40 40 VAL HG21 H 1 0.747 0.04 . 1 . . . . . 37 VAL HG2 . 16545 1 396 . 1 1 40 40 VAL HG22 H 1 0.747 0.04 . 1 . . . . . 37 VAL HG2 . 16545 1 397 . 1 1 40 40 VAL HG23 H 1 0.747 0.04 . 1 . . . . . 37 VAL HG2 . 16545 1 398 . 1 1 40 40 VAL CA C 13 60.099 0.40 . 1 . . . . . 37 VAL CA . 16545 1 399 . 1 1 40 40 VAL CB C 13 33.134 0.40 . 1 . . . . . 37 VAL CB . 16545 1 400 . 1 1 40 40 VAL CG1 C 13 21.892 0.40 . 1 . . . . . 37 VAL CG1 . 16545 1 401 . 1 1 40 40 VAL CG2 C 13 20.401 0.40 . 1 . . . . . 37 VAL CG2 . 16545 1 402 . 1 1 40 40 VAL N N 15 123.385 0.40 . 1 . . . . . 37 VAL N . 16545 1 403 . 1 1 41 41 PRO HA H 1 4.345 0.04 . 1 . . . . . 38 PRO HA . 16545 1 404 . 1 1 41 41 PRO HB2 H 1 2.338 0.04 . 2 . . . . . 38 PRO HB2 . 16545 1 405 . 1 1 41 41 PRO HB3 H 1 1.695 0.04 . 2 . . . . . 38 PRO HB3 . 16545 1 406 . 1 1 41 41 PRO HD2 H 1 3.996 0.04 . 2 . . . . . 38 PRO HD2 . 16545 1 407 . 1 1 41 41 PRO HD3 H 1 3.502 0.04 . 2 . . . . . 38 PRO HD3 . 16545 1 408 . 1 1 41 41 PRO HG2 H 1 1.954 0.04 . 2 . . . . . 38 PRO HG2 . 16545 1 409 . 1 1 41 41 PRO HG3 H 1 1.925 0.04 . 2 . . . . . 38 PRO HG3 . 16545 1 410 . 1 1 41 41 PRO C C 13 177.944 0.4 . 1 . . . . . 38 PRO C . 16545 1 411 . 1 1 41 41 PRO CA C 13 62.231 0.40 . 1 . . . . . 38 PRO CA . 16545 1 412 . 1 1 41 41 PRO CB C 13 33.276 0.40 . 1 . . . . . 38 PRO CB . 16545 1 413 . 1 1 41 41 PRO CD C 13 51.215 0.40 . 1 . . . . . 38 PRO CD . 16545 1 414 . 1 1 41 41 PRO CG C 13 28.106 0.40 . 1 . . . . . 38 PRO CG . 16545 1 415 . 1 1 42 42 LEU H H 1 8.913 0.04 . 1 . . . . . 39 LEU H . 16545 1 416 . 1 1 42 42 LEU HA H 1 4.277 0.04 . 1 . . . . . 39 LEU HA . 16545 1 417 . 1 1 42 42 LEU HB2 H 1 1.862 0.04 . 2 . . . . . 39 LEU HB2 . 16545 1 418 . 1 1 42 42 LEU HB3 H 1 1.700 0.04 . 2 . . . . . 39 LEU HB3 . 16545 1 419 . 1 1 42 42 LEU HD11 H 1 1.310 0.04 . 1 . . . . . 39 LEU HD1 . 16545 1 420 . 1 1 42 42 LEU HD12 H 1 1.310 0.04 . 1 . . . . . 39 LEU HD1 . 16545 1 421 . 1 1 42 42 LEU HD13 H 1 1.310 0.04 . 1 . . . . . 39 LEU HD1 . 16545 1 422 . 1 1 42 42 LEU HD21 H 1 1.083 0.04 . 1 . . . . . 39 LEU HD2 . 16545 1 423 . 1 1 42 42 LEU HD22 H 1 1.083 0.04 . 1 . . . . . 39 LEU HD2 . 16545 1 424 . 1 1 42 42 LEU HD23 H 1 1.083 0.04 . 1 . . . . . 39 LEU HD2 . 16545 1 425 . 1 1 42 42 LEU HG H 1 0.849 0.04 . 1 . . . . . 39 LEU HG . 16545 1 426 . 1 1 42 42 LEU CA C 13 59.856 0.40 . 1 . . . . . 39 LEU CA . 16545 1 427 . 1 1 42 42 LEU CB C 13 39.832 0.40 . 1 . . . . . 39 LEU CB . 16545 1 428 . 1 1 42 42 LEU CD1 C 13 25.689 0.40 . 1 . . . . . 39 LEU CD1 . 16545 1 429 . 1 1 42 42 LEU CD2 C 13 27.395 0.40 . 1 . . . . . 39 LEU CD2 . 16545 1 430 . 1 1 42 42 LEU CG C 13 25.001 0.40 . 1 . . . . . 39 LEU CG . 16545 1 431 . 1 1 42 42 LEU N N 15 121.919 0.40 . 1 . . . . . 39 LEU N . 16545 1 432 . 1 1 43 43 PRO HA H 1 4.140 0.04 . 1 . . . . . 40 PRO HA . 16545 1 433 . 1 1 43 43 PRO HB2 H 1 2.361 0.04 . 2 . . . . . 40 PRO HB2 . 16545 1 434 . 1 1 43 43 PRO HB3 H 1 1.735 0.04 . 2 . . . . . 40 PRO HB3 . 16545 1 435 . 1 1 43 43 PRO HD2 H 1 3.702 0.04 . 2 . . . . . 40 PRO HD2 . 16545 1 436 . 1 1 43 43 PRO HD3 H 1 3.286 0.04 . 2 . . . . . 40 PRO HD3 . 16545 1 437 . 1 1 43 43 PRO HG2 H 1 1.991 0.04 . 2 . . . . . 40 PRO HG2 . 16545 1 438 . 1 1 43 43 PRO HG3 H 1 1.419 0.04 . 2 . . . . . 40 PRO HG3 . 16545 1 439 . 1 1 43 43 PRO C C 13 175.642 0.4 . 1 . . . . . 40 PRO C . 16545 1 440 . 1 1 43 43 PRO CA C 13 65.318 0.40 . 1 . . . . . 40 PRO CA . 16545 1 441 . 1 1 43 43 PRO CB C 13 31.476 0.40 . 1 . . . . . 40 PRO CB . 16545 1 442 . 1 1 43 43 PRO CD C 13 50.075 0.40 . 1 . . . . . 40 PRO CD . 16545 1 443 . 1 1 43 43 PRO CG C 13 28.587 0.40 . 1 . . . . . 40 PRO CG . 16545 1 444 . 1 1 44 44 GLU H H 1 7.824 0.04 . 1 . . . . . 41 GLU H . 16545 1 445 . 1 1 44 44 GLU HA H 1 4.275 0.04 . 1 . . . . . 41 GLU HA . 16545 1 446 . 1 1 44 44 GLU HB2 H 1 2.265 0.04 . 2 . . . . . 41 GLU HB2 . 16545 1 447 . 1 1 44 44 GLU HB3 H 1 1.739 0.04 . 2 . . . . . 41 GLU HB3 . 16545 1 448 . 1 1 44 44 GLU HG2 H 1 2.186 0.04 . 2 . . . . . 41 GLU HG2 . 16545 1 449 . 1 1 44 44 GLU HG3 H 1 2.099 0.04 . 2 . . . . . 41 GLU HG3 . 16545 1 450 . 1 1 44 44 GLU C C 13 176.097 0.4 . 1 . . . . . 41 GLU C . 16545 1 451 . 1 1 44 44 GLU CA C 13 54.813 0.40 . 1 . . . . . 41 GLU CA . 16545 1 452 . 1 1 44 44 GLU CB C 13 28.931 0.40 . 1 . . . . . 41 GLU CB . 16545 1 453 . 1 1 44 44 GLU CG C 13 36.455 0.40 . 1 . . . . . 41 GLU CG . 16545 1 454 . 1 1 44 44 GLU N N 15 112.118 0.40 . 1 . . . . . 41 GLU N . 16545 1 455 . 1 1 45 45 ALA H H 1 7.252 0.04 . 1 . . . . . 42 ALA H . 16545 1 456 . 1 1 45 45 ALA HA H 1 3.761 0.04 . 1 . . . . . 42 ALA HA . 16545 1 457 . 1 1 45 45 ALA HB1 H 1 0.280 0.04 . 1 . . . . . 42 ALA HB . 16545 1 458 . 1 1 45 45 ALA HB2 H 1 0.280 0.04 . 1 . . . . . 42 ALA HB . 16545 1 459 . 1 1 45 45 ALA HB3 H 1 0.280 0.04 . 1 . . . . . 42 ALA HB . 16545 1 460 . 1 1 45 45 ALA CA C 13 50.594 0.40 . 1 . . . . . 42 ALA CA . 16545 1 461 . 1 1 45 45 ALA CB C 13 17.216 0.40 . 1 . . . . . 42 ALA CB . 16545 1 462 . 1 1 45 45 ALA N N 15 123.351 0.40 . 1 . . . . . 42 ALA N . 16545 1 463 . 1 1 46 46 PRO HA H 1 4.346 0.04 . 1 . . . . . 43 PRO HA . 16545 1 464 . 1 1 46 46 PRO HB2 H 1 2.246 0.04 . 2 . . . . . 43 PRO HB2 . 16545 1 465 . 1 1 46 46 PRO HB3 H 1 2.029 0.04 . 2 . . . . . 43 PRO HB3 . 16545 1 466 . 1 1 46 46 PRO HD2 H 1 3.615 0.04 . 2 . . . . . 43 PRO HD2 . 16545 1 467 . 1 1 46 46 PRO HD3 H 1 3.254 0.04 . 2 . . . . . 43 PRO HD3 . 16545 1 468 . 1 1 46 46 PRO HG2 H 1 2.074 0.04 . 2 . . . . . 43 PRO HG2 . 16545 1 469 . 1 1 46 46 PRO HG3 H 1 1.981 0.04 . 2 . . . . . 43 PRO HG3 . 16545 1 470 . 1 1 46 46 PRO C C 13 175.779 0.4 . 1 . . . . . 43 PRO C . 16545 1 471 . 1 1 46 46 PRO CA C 13 64.177 0.40 . 1 . . . . . 43 PRO CA . 16545 1 472 . 1 1 46 46 PRO CB C 13 31.523 0.40 . 1 . . . . . 43 PRO CB . 16545 1 473 . 1 1 46 46 PRO CD C 13 50.288 0.40 . 1 . . . . . 43 PRO CD . 16545 1 474 . 1 1 46 46 PRO CG C 13 27.464 0.40 . 1 . . . . . 43 PRO CG . 16545 1 475 . 1 1 47 47 PHE H H 1 5.613 0.04 . 1 . . . . . 44 PHE H . 16545 1 476 . 1 1 47 47 PHE HA H 1 4.632 0.04 . 1 . . . . . 44 PHE HA . 16545 1 477 . 1 1 47 47 PHE HB2 H 1 3.224 0.04 . 2 . . . . . 44 PHE HB2 . 16545 1 478 . 1 1 47 47 PHE HB3 H 1 2.849 0.04 . 2 . . . . . 44 PHE HB3 . 16545 1 479 . 1 1 47 47 PHE HZ H 1 6.854 0.04 . 1 . . . . . 44 PHE HZ . 16545 1 480 . 1 1 47 47 PHE C C 13 175.923 0.4 . 1 . . . . . 44 PHE C . 16545 1 481 . 1 1 47 47 PHE CA C 13 54.526 0.40 . 1 . . . . . 44 PHE CA . 16545 1 482 . 1 1 47 47 PHE CB C 13 37.826 0.40 . 1 . . . . . 44 PHE CB . 16545 1 483 . 1 1 47 47 PHE CZ C 13 131.261 0.40 . 1 . . . . . 44 PHE CZ . 16545 1 484 . 1 1 47 47 PHE N N 15 109.298 0.40 . 1 . . . . . 44 PHE N . 16545 1 485 . 1 1 48 48 TRP H H 1 6.428 0.04 . 1 . . . . . 45 TRP H . 16545 1 486 . 1 1 48 48 TRP HA H 1 5.608 0.04 . 1 . . . . . 45 TRP HA . 16545 1 487 . 1 1 48 48 TRP HB2 H 1 3.568 0.04 . 2 . . . . . 45 TRP HB2 . 16545 1 488 . 1 1 48 48 TRP HB3 H 1 2.970 0.04 . 2 . . . . . 45 TRP HB3 . 16545 1 489 . 1 1 48 48 TRP HD1 H 1 6.947 0.04 . 1 . . . . . 45 TRP HD1 . 16545 1 490 . 1 1 48 48 TRP HE1 H 1 9.211 0.04 . 1 . . . . . 45 TRP HE1 . 16545 1 491 . 1 1 48 48 TRP HZ2 H 1 7.415 0.04 . 1 . . . . . 45 TRP HZ2 . 16545 1 492 . 1 1 48 48 TRP C C 13 178.459 0.4 . 1 . . . . . 45 TRP C . 16545 1 493 . 1 1 48 48 TRP CA C 13 55.037 0.40 . 1 . . . . . 45 TRP CA . 16545 1 494 . 1 1 48 48 TRP CB C 13 32.114 0.40 . 1 . . . . . 45 TRP CB . 16545 1 495 . 1 1 48 48 TRP CD1 C 13 128.272 0.40 . 1 . . . . . 45 TRP CD1 . 16545 1 496 . 1 1 48 48 TRP CZ2 C 13 115.146 0.40 . 1 . . . . . 45 TRP CZ2 . 16545 1 497 . 1 1 48 48 TRP N N 15 121.369 0.40 . 1 . . . . . 45 TRP N . 16545 1 498 . 1 1 48 48 TRP NE1 N 15 128.323 0.40 . 1 . . . . . 45 TRP NE1 . 16545 1 499 . 1 1 49 49 THR H H 1 9.514 0.04 . 1 . . . . . 46 THR H . 16545 1 500 . 1 1 49 49 THR HA H 1 4.718 0.04 . 1 . . . . . 46 THR HA . 16545 1 501 . 1 1 49 49 THR HB H 1 4.760 0.04 . 1 . . . . . 46 THR HB . 16545 1 502 . 1 1 49 49 THR HG21 H 1 1.386 0.04 . 1 . . . . . 46 THR HG2 . 16545 1 503 . 1 1 49 49 THR HG22 H 1 1.386 0.04 . 1 . . . . . 46 THR HG2 . 16545 1 504 . 1 1 49 49 THR HG23 H 1 1.386 0.04 . 1 . . . . . 46 THR HG2 . 16545 1 505 . 1 1 49 49 THR CA C 13 60.652 0.40 . 1 . . . . . 46 THR CA . 16545 1 506 . 1 1 49 49 THR CB C 13 68.058 0.40 . 1 . . . . . 46 THR CB . 16545 1 507 . 1 1 49 49 THR CG2 C 13 21.811 0.40 . 1 . . . . . 46 THR CG2 . 16545 1 508 . 1 1 49 49 THR N N 15 115.793 0.40 . 1 . . . . . 46 THR N . 16545 1 509 . 1 1 50 50 PRO HA H 1 4.299 0.04 . 1 . . . . . 47 PRO HA . 16545 1 510 . 1 1 50 50 PRO HB2 H 1 2.369 0.04 . 2 . . . . . 47 PRO HB2 . 16545 1 511 . 1 1 50 50 PRO HB3 H 1 1.918 0.04 . 2 . . . . . 47 PRO HB3 . 16545 1 512 . 1 1 50 50 PRO HD2 H 1 3.791 0.04 . 2 . . . . . 47 PRO HD2 . 16545 1 513 . 1 1 50 50 PRO HD3 H 1 3.934 0.04 . 2 . . . . . 47 PRO HD3 . 16545 1 514 . 1 1 50 50 PRO HG2 H 1 2.204 0.04 . 2 . . . . . 47 PRO HG2 . 16545 1 515 . 1 1 50 50 PRO HG3 H 1 2.025 0.04 . 2 . . . . . 47 PRO HG3 . 16545 1 516 . 1 1 50 50 PRO C C 13 179.680 0.4 . 1 . . . . . 47 PRO C . 16545 1 517 . 1 1 50 50 PRO CA C 13 66.125 0.40 . 1 . . . . . 47 PRO CA . 16545 1 518 . 1 1 50 50 PRO CB C 13 31.501 0.40 . 1 . . . . . 47 PRO CB . 16545 1 519 . 1 1 50 50 PRO CD C 13 50.285 0.40 . 1 . . . . . 47 PRO CD . 16545 1 520 . 1 1 50 50 PRO CG C 13 28.190 0.40 . 1 . . . . . 47 PRO CG . 16545 1 521 . 1 1 51 51 ALA H H 1 8.182 0.04 . 1 . . . . . 48 ALA H . 16545 1 522 . 1 1 51 51 ALA HA H 1 4.128 0.04 . 1 . . . . . 48 ALA HA . 16545 1 523 . 1 1 51 51 ALA HB1 H 1 1.331 0.04 . 1 . . . . . 48 ALA HB . 16545 1 524 . 1 1 51 51 ALA HB2 H 1 1.331 0.04 . 1 . . . . . 48 ALA HB . 16545 1 525 . 1 1 51 51 ALA HB3 H 1 1.331 0.04 . 1 . . . . . 48 ALA HB . 16545 1 526 . 1 1 51 51 ALA C C 13 181.368 0.4 . 1 . . . . . 48 ALA C . 16545 1 527 . 1 1 51 51 ALA CA C 13 54.810 0.40 . 1 . . . . . 48 ALA CA . 16545 1 528 . 1 1 51 51 ALA CB C 13 18.645 0.40 . 1 . . . . . 48 ALA CB . 16545 1 529 . 1 1 51 51 ALA N N 15 118.979 0.40 . 1 . . . . . 48 ALA N . 16545 1 530 . 1 1 52 52 GLN H H 1 7.672 0.04 . 1 . . . . . 49 GLN H . 16545 1 531 . 1 1 52 52 GLN HA H 1 3.710 0.04 . 1 . . . . . 49 GLN HA . 16545 1 532 . 1 1 52 52 GLN HB2 H 1 2.658 0.04 . 2 . . . . . 49 GLN HB2 . 16545 1 533 . 1 1 52 52 GLN HB3 H 1 1.387 0.04 . 2 . . . . . 49 GLN HB3 . 16545 1 534 . 1 1 52 52 GLN HG2 H 1 2.488 0.04 . 2 . . . . . 49 GLN HG2 . 16545 1 535 . 1 1 52 52 GLN HG3 H 1 2.321 0.04 . 2 . . . . . 49 GLN HG3 . 16545 1 536 . 1 1 52 52 GLN C C 13 177.589 0.4 . 1 . . . . . 49 GLN C . 16545 1 537 . 1 1 52 52 GLN CA C 13 58.467 0.40 . 1 . . . . . 49 GLN CA . 16545 1 538 . 1 1 52 52 GLN CB C 13 28.558 0.40 . 1 . . . . . 49 GLN CB . 16545 1 539 . 1 1 52 52 GLN CG C 13 34.154 0.40 . 1 . . . . . 49 GLN CG . 16545 1 540 . 1 1 52 52 GLN N N 15 119.953 0.40 . 1 . . . . . 49 GLN N . 16545 1 541 . 1 1 53 53 ALA H H 1 8.653 0.04 . 1 . . . . . 50 ALA H . 16545 1 542 . 1 1 53 53 ALA HA H 1 3.567 0.04 . 1 . . . . . 50 ALA HA . 16545 1 543 . 1 1 53 53 ALA HB1 H 1 1.488 0.04 . 1 . . . . . 50 ALA HB . 16545 1 544 . 1 1 53 53 ALA HB2 H 1 1.488 0.04 . 1 . . . . . 50 ALA HB . 16545 1 545 . 1 1 53 53 ALA HB3 H 1 1.488 0.04 . 1 . . . . . 50 ALA HB . 16545 1 546 . 1 1 53 53 ALA C C 13 179.459 0.4 . 1 . . . . . 50 ALA C . 16545 1 547 . 1 1 53 53 ALA CA C 13 55.733 0.40 . 1 . . . . . 50 ALA CA . 16545 1 548 . 1 1 53 53 ALA CB C 13 18.795 0.40 . 1 . . . . . 50 ALA CB . 16545 1 549 . 1 1 53 53 ALA N N 15 121.090 0.40 . 1 . . . . . 50 ALA N . 16545 1 550 . 1 1 54 54 ALA H H 1 7.995 0.04 . 1 . . . . . 51 ALA H . 16545 1 551 . 1 1 54 54 ALA HA H 1 3.923 0.04 . 1 . . . . . 51 ALA HA . 16545 1 552 . 1 1 54 54 ALA HB1 H 1 1.400 0.04 . 1 . . . . . 51 ALA HB . 16545 1 553 . 1 1 54 54 ALA HB2 H 1 1.400 0.04 . 1 . . . . . 51 ALA HB . 16545 1 554 . 1 1 54 54 ALA HB3 H 1 1.400 0.04 . 1 . . . . . 51 ALA HB . 16545 1 555 . 1 1 54 54 ALA C C 13 180.509 0.4 . 1 . . . . . 51 ALA C . 16545 1 556 . 1 1 54 54 ALA CA C 13 55.008 0.40 . 1 . . . . . 51 ALA CA . 16545 1 557 . 1 1 54 54 ALA CB C 13 18.054 0.40 . 1 . . . . . 51 ALA CB . 16545 1 558 . 1 1 54 54 ALA N N 15 118.296 0.40 . 1 . . . . . 51 ALA N . 16545 1 559 . 1 1 55 55 PHE H H 1 7.627 0.04 . 1 . . . . . 52 PHE H . 16545 1 560 . 1 1 55 55 PHE HA H 1 3.959 0.04 . 1 . . . . . 52 PHE HA . 16545 1 561 . 1 1 55 55 PHE HB2 H 1 3.057 0.04 . 2 . . . . . 52 PHE HB2 . 16545 1 562 . 1 1 55 55 PHE HB3 H 1 2.826 0.04 . 2 . . . . . 52 PHE HB3 . 16545 1 563 . 1 1 55 55 PHE HZ H 1 5.864 0.04 . 1 . . . . . 52 PHE HZ . 16545 1 564 . 1 1 55 55 PHE C C 13 177.806 0.4 . 1 . . . . . 52 PHE C . 16545 1 565 . 1 1 55 55 PHE CA C 13 61.269 0.40 . 1 . . . . . 52 PHE CA . 16545 1 566 . 1 1 55 55 PHE CB C 13 38.667 0.40 . 1 . . . . . 52 PHE CB . 16545 1 567 . 1 1 55 55 PHE CZ C 13 128.851 0.40 . 1 . . . . . 52 PHE CZ . 16545 1 568 . 1 1 55 55 PHE N N 15 119.718 0.40 . 1 . . . . . 52 PHE N . 16545 1 569 . 1 1 56 56 LEU H H 1 7.972 0.04 . 1 . . . . . 53 LEU H . 16545 1 570 . 1 1 56 56 LEU HA H 1 3.524 0.04 . 1 . . . . . 53 LEU HA . 16545 1 571 . 1 1 56 56 LEU HB2 H 1 1.504 0.04 . 2 . . . . . 53 LEU HB2 . 16545 1 572 . 1 1 56 56 LEU HB3 H 1 0.784 0.04 . 2 . . . . . 53 LEU HB3 . 16545 1 573 . 1 1 56 56 LEU HD11 H 1 0.488 0.04 . 1 . . . . . 53 LEU HD1 . 16545 1 574 . 1 1 56 56 LEU HD12 H 1 0.488 0.04 . 1 . . . . . 53 LEU HD1 . 16545 1 575 . 1 1 56 56 LEU HD13 H 1 0.488 0.04 . 1 . . . . . 53 LEU HD1 . 16545 1 576 . 1 1 56 56 LEU HD21 H 1 -0.570 0.04 . 1 . . . . . 53 LEU HD2 . 16545 1 577 . 1 1 56 56 LEU HD22 H 1 -0.570 0.04 . 1 . . . . . 53 LEU HD2 . 16545 1 578 . 1 1 56 56 LEU HD23 H 1 -0.570 0.04 . 1 . . . . . 53 LEU HD2 . 16545 1 579 . 1 1 56 56 LEU HG H 1 1.378 0.04 . 1 . . . . . 53 LEU HG . 16545 1 580 . 1 1 56 56 LEU C C 13 177.822 0.4 . 1 . . . . . 53 LEU C . 16545 1 581 . 1 1 56 56 LEU CA C 13 57.294 0.40 . 1 . . . . . 53 LEU CA . 16545 1 582 . 1 1 56 56 LEU CB C 13 41.630 0.40 . 1 . . . . . 53 LEU CB . 16545 1 583 . 1 1 56 56 LEU CD1 C 13 21.996 0.40 . 1 . . . . . 53 LEU CD1 . 16545 1 584 . 1 1 56 56 LEU CD2 C 13 24.681 0.40 . 1 . . . . . 53 LEU CD2 . 16545 1 585 . 1 1 56 56 LEU CG C 13 26.103 0.40 . 1 . . . . . 53 LEU CG . 16545 1 586 . 1 1 56 56 LEU N N 15 119.571 0.40 . 1 . . . . . 53 LEU N . 16545 1 587 . 1 1 57 57 ARG H H 1 8.429 0.04 . 1 . . . . . 54 ARG H . 16545 1 588 . 1 1 57 57 ARG HA H 1 3.721 0.04 . 1 . . . . . 54 ARG HA . 16545 1 589 . 1 1 57 57 ARG HB2 H 1 1.741 0.04 . 2 . . . . . 54 ARG HB2 . 16545 1 590 . 1 1 57 57 ARG HB3 H 1 1.741 0.04 . 2 . . . . . 54 ARG HB3 . 16545 1 591 . 1 1 57 57 ARG HD2 H 1 3.175 0.04 . 2 . . . . . 54 ARG HD2 . 16545 1 592 . 1 1 57 57 ARG HD3 H 1 3.058 0.04 . 2 . . . . . 54 ARG HD3 . 16545 1 593 . 1 1 57 57 ARG HG2 H 1 1.686 0.04 . 2 . . . . . 54 ARG HG2 . 16545 1 594 . 1 1 57 57 ARG HG3 H 1 1.418 0.04 . 2 . . . . . 54 ARG HG3 . 16545 1 595 . 1 1 57 57 ARG C C 13 178.883 0.4 . 1 . . . . . 54 ARG C . 16545 1 596 . 1 1 57 57 ARG CA C 13 60.189 0.40 . 1 . . . . . 54 ARG CA . 16545 1 597 . 1 1 57 57 ARG CB C 13 30.027 0.40 . 1 . . . . . 54 ARG CB . 16545 1 598 . 1 1 57 57 ARG CD C 13 43.183 0.40 . 1 . . . . . 54 ARG CD . 16545 1 599 . 1 1 57 57 ARG CG C 13 28.458 0.40 . 1 . . . . . 54 ARG CG . 16545 1 600 . 1 1 57 57 ARG N N 15 118.718 0.40 . 1 . . . . . 54 ARG N . 16545 1 601 . 1 1 58 58 GLN H H 1 7.419 0.04 . 1 . . . . . 55 GLN H . 16545 1 602 . 1 1 58 58 GLN HA H 1 3.942 0.04 . 1 . . . . . 55 GLN HA . 16545 1 603 . 1 1 58 58 GLN HB2 H 1 1.982 0.04 . 2 . . . . . 55 GLN HB2 . 16545 1 604 . 1 1 58 58 GLN HB3 H 1 1.982 0.04 . 2 . . . . . 55 GLN HB3 . 16545 1 605 . 1 1 58 58 GLN HG2 H 1 2.379 0.04 . 2 . . . . . 55 GLN HG2 . 16545 1 606 . 1 1 58 58 GLN HG3 H 1 2.230 0.04 . 2 . . . . . 55 GLN HG3 . 16545 1 607 . 1 1 58 58 GLN C C 13 177.850 0.4 . 1 . . . . . 55 GLN C . 16545 1 608 . 1 1 58 58 GLN CA C 13 58.570 0.40 . 1 . . . . . 55 GLN CA . 16545 1 609 . 1 1 58 58 GLN CB C 13 28.105 0.40 . 1 . . . . . 55 GLN CB . 16545 1 610 . 1 1 58 58 GLN CG C 13 34.097 0.40 . 1 . . . . . 55 GLN CG . 16545 1 611 . 1 1 58 58 GLN N N 15 117.640 0.40 . 1 . . . . . 55 GLN N . 16545 1 612 . 1 1 59 59 ALA H H 1 7.875 0.04 . 1 . . . . . 56 ALA H . 16545 1 613 . 1 1 59 59 ALA HA H 1 3.869 0.04 . 1 . . . . . 56 ALA HA . 16545 1 614 . 1 1 59 59 ALA HB1 H 1 0.956 0.04 . 1 . . . . . 56 ALA HB . 16545 1 615 . 1 1 59 59 ALA HB2 H 1 0.956 0.04 . 1 . . . . . 56 ALA HB . 16545 1 616 . 1 1 59 59 ALA HB3 H 1 0.956 0.04 . 1 . . . . . 56 ALA HB . 16545 1 617 . 1 1 59 59 ALA C C 13 178.068 0.4 . 1 . . . . . 56 ALA C . 16545 1 618 . 1 1 59 59 ALA CA C 13 54.123 0.40 . 1 . . . . . 56 ALA CA . 16545 1 619 . 1 1 59 59 ALA CB C 13 17.977 0.40 . 1 . . . . . 56 ALA CB . 16545 1 620 . 1 1 59 59 ALA N N 15 121.454 0.40 . 1 . . . . . 56 ALA N . 16545 1 621 . 1 1 60 60 LEU H H 1 7.344 0.04 . 1 . . . . . 57 LEU H . 16545 1 622 . 1 1 60 60 LEU HA H 1 4.146 0.04 . 1 . . . . . 57 LEU HA . 16545 1 623 . 1 1 60 60 LEU HB2 H 1 1.673 0.04 . 2 . . . . . 57 LEU HB2 . 16545 1 624 . 1 1 60 60 LEU HB3 H 1 1.535 0.04 . 2 . . . . . 57 LEU HB3 . 16545 1 625 . 1 1 60 60 LEU HD11 H 1 0.820 0.04 . 1 . . . . . 57 LEU HD1 . 16545 1 626 . 1 1 60 60 LEU HD12 H 1 0.820 0.04 . 1 . . . . . 57 LEU HD1 . 16545 1 627 . 1 1 60 60 LEU HD13 H 1 0.820 0.04 . 1 . . . . . 57 LEU HD1 . 16545 1 628 . 1 1 60 60 LEU HD21 H 1 0.822 0.04 . 1 . . . . . 57 LEU HD2 . 16545 1 629 . 1 1 60 60 LEU HD22 H 1 0.822 0.04 . 1 . . . . . 57 LEU HD2 . 16545 1 630 . 1 1 60 60 LEU HD23 H 1 0.822 0.04 . 1 . . . . . 57 LEU HD2 . 16545 1 631 . 1 1 60 60 LEU HG H 1 0.903 0.04 . 1 . . . . . 57 LEU HG . 16545 1 632 . 1 1 60 60 LEU C C 13 178.854 0.4 . 1 . . . . . 57 LEU C . 16545 1 633 . 1 1 60 60 LEU CA C 13 56.024 0.40 . 1 . . . . . 57 LEU CA . 16545 1 634 . 1 1 60 60 LEU CB C 13 42.143 0.40 . 1 . . . . . 57 LEU CB . 16545 1 635 . 1 1 60 60 LEU CD1 C 13 25.681 0.40 . 1 . . . . . 57 LEU CD1 . 16545 1 636 . 1 1 60 60 LEU CD2 C 13 23.306 0.40 . 1 . . . . . 57 LEU CD2 . 16545 1 637 . 1 1 60 60 LEU CG C 13 26.493 0.40 . 1 . . . . . 57 LEU CG . 16545 1 638 . 1 1 60 60 LEU N N 15 114.035 0.40 . 1 . . . . . 57 LEU N . 16545 1 639 . 1 1 61 61 GLU H H 1 7.654 0.04 . 1 . . . . . 58 GLU H . 16545 1 640 . 1 1 61 61 GLU HA H 1 4.171 0.04 . 1 . . . . . 58 GLU HA . 16545 1 641 . 1 1 61 61 GLU HB2 H 1 1.984 0.04 . 2 . . . . . 58 GLU HB2 . 16545 1 642 . 1 1 61 61 GLU HB3 H 1 1.984 0.04 . 2 . . . . . 58 GLU HB3 . 16545 1 643 . 1 1 61 61 GLU HG2 H 1 2.375 0.04 . 2 . . . . . 58 GLU HG2 . 16545 1 644 . 1 1 61 61 GLU HG3 H 1 2.174 0.04 . 2 . . . . . 58 GLU HG3 . 16545 1 645 . 1 1 61 61 GLU C C 13 177.322 0.4 . 1 . . . . . 58 GLU C . 16545 1 646 . 1 1 61 61 GLU CA C 13 57.452 0.40 . 1 . . . . . 58 GLU CA . 16545 1 647 . 1 1 61 61 GLU CB C 13 30.470 0.40 . 1 . . . . . 58 GLU CB . 16545 1 648 . 1 1 61 61 GLU CG C 13 36.527 0.40 . 1 . . . . . 58 GLU CG . 16545 1 649 . 1 1 61 61 GLU N N 15 118.526 0.40 . 1 . . . . . 58 GLU N . 16545 1 650 . 1 1 62 62 CYS H H 1 8.087 0.04 . 1 . . . . . 59 CYS H . 16545 1 651 . 1 1 62 62 CYS HA H 1 4.467 0.04 . 1 . . . . . 59 CYS HA . 16545 1 652 . 1 1 62 62 CYS HB2 H 1 2.012 0.04 . 2 . . . . . 59 CYS HB2 . 16545 1 653 . 1 1 62 62 CYS HB3 H 1 1.972 0.04 . 2 . . . . . 59 CYS HB3 . 16545 1 654 . 1 1 62 62 CYS CA C 13 55.801 0.40 . 1 . . . . . 59 CYS CA . 16545 1 655 . 1 1 62 62 CYS CB C 13 33.004 0.40 . 1 . . . . . 59 CYS CB . 16545 1 656 . 1 1 62 62 CYS N N 15 115.981 0.40 . 1 . . . . . 59 CYS N . 16545 1 657 . 1 1 63 63 ASP HA H 1 4.525 0.04 . 1 . . . . . 60 ASP HA . 16545 1 658 . 1 1 63 63 ASP HB2 H 1 2.797 0.04 . 2 . . . . . 60 ASP HB2 . 16545 1 659 . 1 1 63 63 ASP HB3 H 1 2.520 0.04 . 2 . . . . . 60 ASP HB3 . 16545 1 660 . 1 1 63 63 ASP C C 13 175.154 0.4 . 1 . . . . . 60 ASP C . 16545 1 661 . 1 1 63 63 ASP CA C 13 54.678 0.40 . 1 . . . . . 60 ASP CA . 16545 1 662 . 1 1 63 63 ASP CB C 13 40.627 0.40 . 1 . . . . . 60 ASP CB . 16545 1 663 . 1 1 64 64 ALA H H 1 8.256 0.04 . 1 . . . . . 61 ALA H . 16545 1 664 . 1 1 64 64 ALA HA H 1 4.379 0.04 . 1 . . . . . 61 ALA HA . 16545 1 665 . 1 1 64 64 ALA HB1 H 1 1.417 0.04 . 1 . . . . . 61 ALA HB . 16545 1 666 . 1 1 64 64 ALA HB2 H 1 1.417 0.04 . 1 . . . . . 61 ALA HB . 16545 1 667 . 1 1 64 64 ALA HB3 H 1 1.417 0.04 . 1 . . . . . 61 ALA HB . 16545 1 668 . 1 1 64 64 ALA CA C 13 52.507 0.40 . 1 . . . . . 61 ALA CA . 16545 1 669 . 1 1 64 64 ALA CB C 13 19.844 0.40 . 1 . . . . . 61 ALA CB . 16545 1 670 . 1 1 64 64 ALA N N 15 125.124 0.40 . 1 . . . . . 61 ALA N . 16545 1 671 . 1 1 65 65 GLU HA H 1 3.839 0.04 . 1 . . . . . 62 GLU HA . 16545 1 672 . 1 1 65 65 GLU HB2 H 1 1.704 0.04 . 2 . . . . . 62 GLU HB2 . 16545 1 673 . 1 1 65 65 GLU HB3 H 1 1.467 0.04 . 2 . . . . . 62 GLU HB3 . 16545 1 674 . 1 1 65 65 GLU HG2 H 1 1.711 0.04 . 2 . . . . . 62 GLU HG2 . 16545 1 675 . 1 1 65 65 GLU HG3 H 1 1.455 0.04 . 2 . . . . . 62 GLU HG3 . 16545 1 676 . 1 1 65 65 GLU C C 13 177.779 0.4 . 1 . . . . . 62 GLU C . 16545 1 677 . 1 1 65 65 GLU CA C 13 59.280 0.40 . 1 . . . . . 62 GLU CA . 16545 1 678 . 1 1 65 65 GLU CB C 13 29.276 0.40 . 1 . . . . . 62 GLU CB . 16545 1 679 . 1 1 65 65 GLU CG C 13 35.526 0.40 . 1 . . . . . 62 GLU CG . 16545 1 680 . 1 1 66 66 TRP H H 1 7.894 0.04 . 1 . . . . . 63 TRP H . 16545 1 681 . 1 1 66 66 TRP HA H 1 4.885 0.04 . 1 . . . . . 63 TRP HA . 16545 1 682 . 1 1 66 66 TRP HB2 H 1 3.541 0.04 . 2 . . . . . 63 TRP HB2 . 16545 1 683 . 1 1 66 66 TRP HB3 H 1 2.842 0.04 . 2 . . . . . 63 TRP HB3 . 16545 1 684 . 1 1 66 66 TRP HD1 H 1 7.308 0.04 . 1 . . . . . 63 TRP HD1 . 16545 1 685 . 1 1 66 66 TRP HE1 H 1 10.169 0.04 . 1 . . . . . 63 TRP HE1 . 16545 1 686 . 1 1 66 66 TRP HZ2 H 1 7.059 0.04 . 1 . . . . . 63 TRP HZ2 . 16545 1 687 . 1 1 66 66 TRP C C 13 176.101 0.4 . 1 . . . . . 63 TRP C . 16545 1 688 . 1 1 66 66 TRP CA C 13 57.073 0.40 . 1 . . . . . 63 TRP CA . 16545 1 689 . 1 1 66 66 TRP CB C 13 30.143 0.40 . 1 . . . . . 63 TRP CB . 16545 1 690 . 1 1 66 66 TRP CD1 C 13 128.097 0.40 . 1 . . . . . 63 TRP CD1 . 16545 1 691 . 1 1 66 66 TRP CZ2 C 13 113.643 0.40 . 1 . . . . . 63 TRP CZ2 . 16545 1 692 . 1 1 66 66 TRP N N 15 115.927 0.40 . 1 . . . . . 63 TRP N . 16545 1 693 . 1 1 66 66 TRP NE1 N 15 128.924 0.40 . 1 . . . . . 63 TRP NE1 . 16545 1 694 . 1 1 67 67 SER H H 1 7.718 0.04 . 1 . . . . . 64 SER H . 16545 1 695 . 1 1 67 67 SER HA H 1 4.019 0.04 . 1 . . . . . 64 SER HA . 16545 1 696 . 1 1 67 67 SER HB2 H 1 3.962 0.04 . 2 . . . . . 64 SER HB2 . 16545 1 697 . 1 1 67 67 SER HB3 H 1 4.112 0.04 . 2 . . . . . 64 SER HB3 . 16545 1 698 . 1 1 67 67 SER C C 13 176.203 0.4 . 1 . . . . . 64 SER C . 16545 1 699 . 1 1 67 67 SER CA C 13 62.578 0.40 . 1 . . . . . 64 SER CA . 16545 1 700 . 1 1 67 67 SER CB C 13 63.094 0.40 . 1 . . . . . 64 SER CB . 16545 1 701 . 1 1 67 67 SER N N 15 116.764 0.40 . 1 . . . . . 64 SER N . 16545 1 702 . 1 1 68 68 GLU H H 1 8.421 0.04 . 1 . . . . . 65 GLU H . 16545 1 703 . 1 1 68 68 GLU HA H 1 4.073 0.04 . 1 . . . . . 65 GLU HA . 16545 1 704 . 1 1 68 68 GLU HB2 H 1 2.018 0.04 . 2 . . . . . 65 GLU HB2 . 16545 1 705 . 1 1 68 68 GLU HB3 H 1 1.950 0.04 . 2 . . . . . 65 GLU HB3 . 16545 1 706 . 1 1 68 68 GLU HG2 H 1 2.323 0.04 . 2 . . . . . 65 GLU HG2 . 16545 1 707 . 1 1 68 68 GLU HG3 H 1 2.113 0.04 . 2 . . . . . 65 GLU HG3 . 16545 1 708 . 1 1 68 68 GLU C C 13 180.130 0.4 . 1 . . . . . 65 GLU C . 16545 1 709 . 1 1 68 68 GLU CA C 13 59.670 0.40 . 1 . . . . . 65 GLU CA . 16545 1 710 . 1 1 68 68 GLU CB C 13 29.182 0.40 . 1 . . . . . 65 GLU CB . 16545 1 711 . 1 1 68 68 GLU CG C 13 36.496 0.40 . 1 . . . . . 65 GLU CG . 16545 1 712 . 1 1 68 68 GLU N N 15 122.354 0.40 . 1 . . . . . 65 GLU N . 16545 1 713 . 1 1 69 69 ALA H H 1 8.447 0.04 . 1 . . . . . 66 ALA H . 16545 1 714 . 1 1 69 69 ALA HA H 1 4.045 0.04 . 1 . . . . . 66 ALA HA . 16545 1 715 . 1 1 69 69 ALA HB1 H 1 1.663 0.04 . 1 . . . . . 66 ALA HB . 16545 1 716 . 1 1 69 69 ALA HB2 H 1 1.663 0.04 . 1 . . . . . 66 ALA HB . 16545 1 717 . 1 1 69 69 ALA HB3 H 1 1.663 0.04 . 1 . . . . . 66 ALA HB . 16545 1 718 . 1 1 69 69 ALA C C 13 178.466 0.4 . 1 . . . . . 66 ALA C . 16545 1 719 . 1 1 69 69 ALA CA C 13 54.738 0.40 . 1 . . . . . 66 ALA CA . 16545 1 720 . 1 1 69 69 ALA CB C 13 19.777 0.40 . 1 . . . . . 66 ALA CB . 16545 1 721 . 1 1 69 69 ALA N N 15 122.729 0.40 . 1 . . . . . 66 ALA N . 16545 1 722 . 1 1 70 70 ALA H H 1 8.484 0.04 . 1 . . . . . 67 ALA H . 16545 1 723 . 1 1 70 70 ALA HA H 1 3.813 0.04 . 1 . . . . . 67 ALA HA . 16545 1 724 . 1 1 70 70 ALA HB1 H 1 1.259 0.04 . 1 . . . . . 67 ALA HB . 16545 1 725 . 1 1 70 70 ALA HB2 H 1 1.259 0.04 . 1 . . . . . 67 ALA HB . 16545 1 726 . 1 1 70 70 ALA HB3 H 1 1.259 0.04 . 1 . . . . . 67 ALA HB . 16545 1 727 . 1 1 70 70 ALA C C 13 178.651 0.4 . 1 . . . . . 67 ALA C . 16545 1 728 . 1 1 70 70 ALA CA C 13 55.503 0.40 . 1 . . . . . 67 ALA CA . 16545 1 729 . 1 1 70 70 ALA CB C 13 17.968 0.40 . 1 . . . . . 67 ALA CB . 16545 1 730 . 1 1 70 70 ALA N N 15 120.278 0.40 . 1 . . . . . 67 ALA N . 16545 1 731 . 1 1 71 71 ASP H H 1 8.395 0.04 . 1 . . . . . 68 ASP H . 16545 1 732 . 1 1 71 71 ASP HA H 1 4.397 0.04 . 1 . . . . . 68 ASP HA . 16545 1 733 . 1 1 71 71 ASP HB2 H 1 2.738 0.04 . 2 . . . . . 68 ASP HB2 . 16545 1 734 . 1 1 71 71 ASP HB3 H 1 2.608 0.04 . 2 . . . . . 68 ASP HB3 . 16545 1 735 . 1 1 71 71 ASP C C 13 178.927 0.4 . 1 . . . . . 68 ASP C . 16545 1 736 . 1 1 71 71 ASP CA C 13 57.430 0.40 . 1 . . . . . 68 ASP CA . 16545 1 737 . 1 1 71 71 ASP CB C 13 41.298 0.40 . 1 . . . . . 68 ASP CB . 16545 1 738 . 1 1 71 71 ASP N N 15 118.876 0.40 . 1 . . . . . 68 ASP N . 16545 1 739 . 1 1 72 72 GLY H H 1 8.005 0.04 . 1 . . . . . 69 GLY H . 16545 1 740 . 1 1 72 72 GLY HA2 H 1 3.862 0.04 . 2 . . . . . 69 GLY HA2 . 16545 1 741 . 1 1 72 72 GLY HA3 H 1 3.838 0.04 . 2 . . . . . 69 GLY HA3 . 16545 1 742 . 1 1 72 72 GLY C C 13 176.428 0.4 . 1 . . . . . 69 GLY C . 16545 1 743 . 1 1 72 72 GLY CA C 13 47.067 0.40 . 1 . . . . . 69 GLY CA . 16545 1 744 . 1 1 72 72 GLY N N 15 106.252 0.40 . 1 . . . . . 69 GLY N . 16545 1 745 . 1 1 73 73 LEU H H 1 8.327 0.04 . 1 . . . . . 70 LEU H . 16545 1 746 . 1 1 73 73 LEU HA H 1 4.229 0.04 . 1 . . . . . 70 LEU HA . 16545 1 747 . 1 1 73 73 LEU HB2 H 1 2.193 0.04 . 2 . . . . . 70 LEU HB2 . 16545 1 748 . 1 1 73 73 LEU HB3 H 1 1.447 0.04 . 2 . . . . . 70 LEU HB3 . 16545 1 749 . 1 1 73 73 LEU HD11 H 1 0.972 0.04 . 1 . . . . . 70 LEU HD1 . 16545 1 750 . 1 1 73 73 LEU HD12 H 1 0.972 0.04 . 1 . . . . . 70 LEU HD1 . 16545 1 751 . 1 1 73 73 LEU HD13 H 1 0.972 0.04 . 1 . . . . . 70 LEU HD1 . 16545 1 752 . 1 1 73 73 LEU HD21 H 1 1.254 0.04 . 1 . . . . . 70 LEU HD2 . 16545 1 753 . 1 1 73 73 LEU HD22 H 1 1.254 0.04 . 1 . . . . . 70 LEU HD2 . 16545 1 754 . 1 1 73 73 LEU HD23 H 1 1.254 0.04 . 1 . . . . . 70 LEU HD2 . 16545 1 755 . 1 1 73 73 LEU HG H 1 1.811 0.04 . 1 . . . . . 70 LEU HG . 16545 1 756 . 1 1 73 73 LEU C C 13 177.493 0.4 . 1 . . . . . 70 LEU C . 16545 1 757 . 1 1 73 73 LEU CA C 13 57.771 0.40 . 1 . . . . . 70 LEU CA . 16545 1 758 . 1 1 73 73 LEU CB C 13 41.154 0.40 . 1 . . . . . 70 LEU CB . 16545 1 759 . 1 1 73 73 LEU CD1 C 13 26.268 0.40 . 1 . . . . . 70 LEU CD1 . 16545 1 760 . 1 1 73 73 LEU CD2 C 13 23.171 0.40 . 1 . . . . . 70 LEU CD2 . 16545 1 761 . 1 1 73 73 LEU CG C 13 27.235 0.40 . 1 . . . . . 70 LEU CG . 16545 1 762 . 1 1 73 73 LEU N N 15 122.542 0.40 . 1 . . . . . 70 LEU N . 16545 1 763 . 1 1 74 74 ALA H H 1 8.299 0.04 . 1 . . . . . 71 ALA H . 16545 1 764 . 1 1 74 74 ALA HA H 1 3.958 0.04 . 1 . . . . . 71 ALA HA . 16545 1 765 . 1 1 74 74 ALA HB1 H 1 1.670 0.04 . 1 . . . . . 71 ALA HB . 16545 1 766 . 1 1 74 74 ALA HB2 H 1 1.670 0.04 . 1 . . . . . 71 ALA HB . 16545 1 767 . 1 1 74 74 ALA HB3 H 1 1.670 0.04 . 1 . . . . . 71 ALA HB . 16545 1 768 . 1 1 74 74 ALA C C 13 179.490 0.4 . 1 . . . . . 71 ALA C . 16545 1 769 . 1 1 74 74 ALA CA C 13 56.297 0.40 . 1 . . . . . 71 ALA CA . 16545 1 770 . 1 1 74 74 ALA CB C 13 18.290 0.40 . 1 . . . . . 71 ALA CB . 16545 1 771 . 1 1 74 74 ALA N N 15 120.502 0.40 . 1 . . . . . 71 ALA N . 16545 1 772 . 1 1 75 75 VAL H H 1 7.712 0.04 . 1 . . . . . 72 VAL H . 16545 1 773 . 1 1 75 75 VAL HA H 1 3.734 0.04 . 1 . . . . . 72 VAL HA . 16545 1 774 . 1 1 75 75 VAL HB H 1 2.196 0.04 . 1 . . . . . 72 VAL HB . 16545 1 775 . 1 1 75 75 VAL HG11 H 1 0.953 0.04 . 1 . . . . . 72 VAL HG1 . 16545 1 776 . 1 1 75 75 VAL HG12 H 1 0.953 0.04 . 1 . . . . . 72 VAL HG1 . 16545 1 777 . 1 1 75 75 VAL HG13 H 1 0.953 0.04 . 1 . . . . . 72 VAL HG1 . 16545 1 778 . 1 1 75 75 VAL HG21 H 1 1.102 0.04 . 1 . . . . . 72 VAL HG2 . 16545 1 779 . 1 1 75 75 VAL HG22 H 1 1.102 0.04 . 1 . . . . . 72 VAL HG2 . 16545 1 780 . 1 1 75 75 VAL HG23 H 1 1.102 0.04 . 1 . . . . . 72 VAL HG2 . 16545 1 781 . 1 1 75 75 VAL C C 13 179.293 0.4 . 1 . . . . . 72 VAL C . 16545 1 782 . 1 1 75 75 VAL CA C 13 66.144 0.40 . 1 . . . . . 72 VAL CA . 16545 1 783 . 1 1 75 75 VAL CB C 13 32.002 0.40 . 1 . . . . . 72 VAL CB . 16545 1 784 . 1 1 75 75 VAL CG1 C 13 21.326 0.40 . 1 . . . . . 72 VAL CG1 . 16545 1 785 . 1 1 75 75 VAL CG2 C 13 22.659 0.40 . 1 . . . . . 72 VAL CG2 . 16545 1 786 . 1 1 75 75 VAL N N 15 115.414 0.40 . 1 . . . . . 72 VAL N . 16545 1 787 . 1 1 76 76 LEU H H 1 7.766 0.04 . 1 . . . . . 73 LEU H . 16545 1 788 . 1 1 76 76 LEU HA H 1 4.145 0.04 . 1 . . . . . 73 LEU HA . 16545 1 789 . 1 1 76 76 LEU HB2 H 1 2.101 0.04 . 2 . . . . . 73 LEU HB2 . 16545 1 790 . 1 1 76 76 LEU HB3 H 1 1.481 0.04 . 2 . . . . . 73 LEU HB3 . 16545 1 791 . 1 1 76 76 LEU HD11 H 1 0.865 0.04 . 1 . . . . . 73 LEU HD1 . 16545 1 792 . 1 1 76 76 LEU HD12 H 1 0.865 0.04 . 1 . . . . . 73 LEU HD1 . 16545 1 793 . 1 1 76 76 LEU HD13 H 1 0.865 0.04 . 1 . . . . . 73 LEU HD1 . 16545 1 794 . 1 1 76 76 LEU HD21 H 1 0.900 0.04 . 1 . . . . . 73 LEU HD2 . 16545 1 795 . 1 1 76 76 LEU HD22 H 1 0.900 0.04 . 1 . . . . . 73 LEU HD2 . 16545 1 796 . 1 1 76 76 LEU HD23 H 1 0.900 0.04 . 1 . . . . . 73 LEU HD2 . 16545 1 797 . 1 1 76 76 LEU HG H 1 1.885 0.04 . 1 . . . . . 73 LEU HG . 16545 1 798 . 1 1 76 76 LEU C C 13 179.573 0.4 . 1 . . . . . 73 LEU C . 16545 1 799 . 1 1 76 76 LEU CA C 13 57.682 0.40 . 1 . . . . . 73 LEU CA . 16545 1 800 . 1 1 76 76 LEU CB C 13 42.405 0.40 . 1 . . . . . 73 LEU CB . 16545 1 801 . 1 1 76 76 LEU CD1 C 13 26.544 0.40 . 1 . . . . . 73 LEU CD1 . 16545 1 802 . 1 1 76 76 LEU CD2 C 13 22.902 0.40 . 1 . . . . . 73 LEU CD2 . 16545 1 803 . 1 1 76 76 LEU CG C 13 27.067 0.40 . 1 . . . . . 73 LEU CG . 16545 1 804 . 1 1 76 76 LEU N N 15 119.890 0.40 . 1 . . . . . 73 LEU N . 16545 1 805 . 1 1 77 77 LEU H H 1 8.332 0.04 . 1 . . . . . 74 LEU H . 16545 1 806 . 1 1 77 77 LEU HA H 1 4.352 0.04 . 1 . . . . . 74 LEU HA . 16545 1 807 . 1 1 77 77 LEU HB2 H 1 2.085 0.04 . 2 . . . . . 74 LEU HB2 . 16545 1 808 . 1 1 77 77 LEU HB3 H 1 1.923 0.04 . 2 . . . . . 74 LEU HB3 . 16545 1 809 . 1 1 77 77 LEU HD11 H 1 1.187 0.04 . 1 . . . . . 74 LEU HD1 . 16545 1 810 . 1 1 77 77 LEU HD12 H 1 1.187 0.04 . 1 . . . . . 74 LEU HD1 . 16545 1 811 . 1 1 77 77 LEU HD13 H 1 1.187 0.04 . 1 . . . . . 74 LEU HD1 . 16545 1 812 . 1 1 77 77 LEU HD21 H 1 1.095 0.04 . 1 . . . . . 74 LEU HD2 . 16545 1 813 . 1 1 77 77 LEU HD22 H 1 1.095 0.04 . 1 . . . . . 74 LEU HD2 . 16545 1 814 . 1 1 77 77 LEU HD23 H 1 1.095 0.04 . 1 . . . . . 74 LEU HD2 . 16545 1 815 . 1 1 77 77 LEU HG H 1 2.238 0.04 . 1 . . . . . 74 LEU HG . 16545 1 816 . 1 1 77 77 LEU C C 13 178.565 0.4 . 1 . . . . . 74 LEU C . 16545 1 817 . 1 1 77 77 LEU CA C 13 56.579 0.40 . 1 . . . . . 74 LEU CA . 16545 1 818 . 1 1 77 77 LEU CB C 13 41.424 0.40 . 1 . . . . . 74 LEU CB . 16545 1 819 . 1 1 77 77 LEU CD1 C 13 26.145 0.40 . 1 . . . . . 74 LEU CD1 . 16545 1 820 . 1 1 77 77 LEU CD2 C 13 23.493 0.40 . 1 . . . . . 74 LEU CD2 . 16545 1 821 . 1 1 77 77 LEU CG C 13 26.323 0.40 . 1 . . . . . 74 LEU CG . 16545 1 822 . 1 1 77 77 LEU N N 15 115.986 0.40 . 1 . . . . . 74 LEU N . 16545 1 823 . 1 1 78 78 GLN H H 1 7.826 0.04 . 1 . . . . . 75 GLN H . 16545 1 824 . 1 1 78 78 GLN HA H 1 4.646 0.04 . 1 . . . . . 75 GLN HA . 16545 1 825 . 1 1 78 78 GLN HB2 H 1 2.108 0.04 . 2 . . . . . 75 GLN HB2 . 16545 1 826 . 1 1 78 78 GLN HB3 H 1 2.228 0.04 . 2 . . . . . 75 GLN HB3 . 16545 1 827 . 1 1 78 78 GLN HG2 H 1 2.599 0.04 . 2 . . . . . 75 GLN HG2 . 16545 1 828 . 1 1 78 78 GLN HG3 H 1 2.415 0.04 . 2 . . . . . 75 GLN HG3 . 16545 1 829 . 1 1 78 78 GLN C C 13 176.646 0.4 . 1 . . . . . 75 GLN C . 16545 1 830 . 1 1 78 78 GLN CA C 13 56.464 0.40 . 1 . . . . . 75 GLN CA . 16545 1 831 . 1 1 78 78 GLN CB C 13 29.101 0.40 . 1 . . . . . 75 GLN CB . 16545 1 832 . 1 1 78 78 GLN CG C 13 34.447 0.40 . 1 . . . . . 75 GLN CG . 16545 1 833 . 1 1 78 78 GLN N N 15 118.588 0.40 . 1 . . . . . 75 GLN N . 16545 1 834 . 1 1 79 79 GLN H H 1 8.117 0.04 . 1 . . . . . 76 GLN H . 16545 1 835 . 1 1 79 79 GLN HA H 1 4.305 0.04 . 1 . . . . . 76 GLN HA . 16545 1 836 . 1 1 79 79 GLN HB2 H 1 2.152 0.04 . 2 . . . . . 76 GLN HB2 . 16545 1 837 . 1 1 79 79 GLN HB3 H 1 2.040 0.04 . 2 . . . . . 76 GLN HB3 . 16545 1 838 . 1 1 79 79 GLN HG2 H 1 2.425 0.04 . 2 . . . . . 76 GLN HG2 . 16545 1 839 . 1 1 79 79 GLN HG3 H 1 2.425 0.04 . 2 . . . . . 76 GLN HG3 . 16545 1 840 . 1 1 79 79 GLN C C 13 176.539 0.4 . 1 . . . . . 76 GLN C . 16545 1 841 . 1 1 79 79 GLN CA C 13 56.201 0.40 . 1 . . . . . 76 GLN CA . 16545 1 842 . 1 1 79 79 GLN CB C 13 29.461 0.40 . 1 . . . . . 76 GLN CB . 16545 1 843 . 1 1 79 79 GLN CG C 13 34.063 0.40 . 1 . . . . . 76 GLN CG . 16545 1 844 . 1 1 79 79 GLN N N 15 120.531 0.40 . 1 . . . . . 76 GLN N . 16545 1 845 . 1 1 80 80 GLY H H 1 8.385 0.04 . 1 . . . . . 77 GLY H . 16545 1 846 . 1 1 80 80 GLY HA2 H 1 3.980 0.04 . 2 . . . . . 77 GLY HA2 . 16545 1 847 . 1 1 80 80 GLY HA3 H 1 3.925 0.04 . 2 . . . . . 77 GLY HA3 . 16545 1 848 . 1 1 80 80 GLY C C 13 173.698 0.4 . 1 . . . . . 77 GLY C . 16545 1 849 . 1 1 80 80 GLY CA C 13 45.227 0.40 . 1 . . . . . 77 GLY CA . 16545 1 850 . 1 1 80 80 GLY N N 15 109.693 0.40 . 1 . . . . . 77 GLY N . 16545 1 851 . 1 1 81 81 GLU H H 1 8.201 0.04 . 1 . . . . . 78 GLU H . 16545 1 852 . 1 1 81 81 GLU HA H 1 4.281 0.04 . 1 . . . . . 78 GLU HA . 16545 1 853 . 1 1 81 81 GLU HB2 H 1 2.035 0.04 . 2 . . . . . 78 GLU HB2 . 16545 1 854 . 1 1 81 81 GLU HB3 H 1 1.863 0.04 . 2 . . . . . 78 GLU HB3 . 16545 1 855 . 1 1 81 81 GLU HG2 H 1 2.229 0.04 . 2 . . . . . 78 GLU HG2 . 16545 1 856 . 1 1 81 81 GLU HG3 H 1 2.188 0.04 . 2 . . . . . 78 GLU HG3 . 16545 1 857 . 1 1 81 81 GLU C C 13 175.246 0.4 . 1 . . . . . 78 GLU C . 16545 1 858 . 1 1 81 81 GLU CA C 13 56.247 0.40 . 1 . . . . . 78 GLU CA . 16545 1 859 . 1 1 81 81 GLU CB C 13 30.796 0.40 . 1 . . . . . 78 GLU CB . 16545 1 860 . 1 1 81 81 GLU CG C 13 36.298 0.40 . 1 . . . . . 78 GLU CG . 16545 1 861 . 1 1 81 81 GLU N N 15 120.398 0.40 . 1 . . . . . 78 GLU N . 16545 1 862 . 1 1 82 82 ALA H H 1 7.970 0.04 . 1 . . . . . 79 ALA H . 16545 1 863 . 1 1 82 82 ALA HA H 1 4.061 0.04 . 1 . . . . . 79 ALA HA . 16545 1 864 . 1 1 82 82 ALA HB1 H 1 1.278 0.04 . 1 . . . . . 79 ALA HB . 16545 1 865 . 1 1 82 82 ALA HB2 H 1 1.278 0.04 . 1 . . . . . 79 ALA HB . 16545 1 866 . 1 1 82 82 ALA HB3 H 1 1.278 0.04 . 1 . . . . . 79 ALA HB . 16545 1 867 . 1 1 82 82 ALA CA C 13 53.867 0.40 . 1 . . . . . 79 ALA CA . 16545 1 868 . 1 1 82 82 ALA CB C 13 20.187 0.40 . 1 . . . . . 79 ALA CB . 16545 1 869 . 1 1 82 82 ALA N N 15 130.858 0.40 . 1 . . . . . 79 ALA N . 16545 1 stop_ save_