################################### # 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 17017 _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' . . . 17017 1 2 '2D 1H-13C HSQC' . . . 17017 1 3 '3D HNCO' . . . 17017 1 5 '3D 1H-13C arom NOESY' . . . 17017 1 6 '3D HBHA(CO)NH' . . . 17017 1 7 '3D HNCA' . . . 17017 1 8 '3D 1H-15N NOESY' . . . 17017 1 9 '3D 1H-13C NOESY' . . . 17017 1 10 '3D H(C)CH-TOCSY' . . . 17017 1 11 '3D (H)CCH-TOCSY' . . . 17017 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 $CNS . . 17017 1 2 $CYANA . . 17017 1 3 $AutoStructure . . 17017 1 4 $NMRPipe . . 17017 1 5 $TOPSPIN . . 17017 1 6 $SPARKY . . 17017 1 7 $TALOS+ . . 17017 1 8 $NMRDraw . . 17017 1 9 $Molmol . . 17017 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 1 1 TRP H H 1 8.920 0.05 . 1 . . . . . 1 TRP H . 17017 1 2 . 1 1 1 1 TRP HA H 1 4.816 0.05 . 1 . . . . . 1 TRP HA . 17017 1 3 . 1 1 1 1 TRP HB2 H 1 2.862 0.05 . 2 . . . . . 1 TRP QB . 17017 1 4 . 1 1 1 1 TRP HB3 H 1 2.862 0.05 . 2 . . . . . 1 TRP QB . 17017 1 5 . 1 1 1 1 TRP HD1 H 1 7.147 0.05 . 1 . . . . . 1 TRP HD1 . 17017 1 6 . 1 1 1 1 TRP HE1 H 1 9.981 0.05 . 1 . . . . . 1 TRP HE1 . 17017 1 7 . 1 1 1 1 TRP HE3 H 1 6.900 0.05 . 1 . . . . . 1 TRP HE3 . 17017 1 8 . 1 1 1 1 TRP HH2 H 1 7.040 0.05 . 1 . . . . . 1 TRP HH2 . 17017 1 9 . 1 1 1 1 TRP HZ2 H 1 7.386 0.05 . 1 . . . . . 1 TRP HZ2 . 17017 1 10 . 1 1 1 1 TRP HZ3 H 1 6.560 0.05 . 1 . . . . . 1 TRP HZ3 . 17017 1 11 . 1 1 1 1 TRP C C 13 177.490 0.4 . 1 . . . . . 1 TRP C . 17017 1 12 . 1 1 1 1 TRP CA C 13 56.082 0.4 . 1 . . . . . 1 TRP CA . 17017 1 13 . 1 1 1 1 TRP CB C 13 31.248 0.4 . 1 . . . . . 1 TRP CB . 17017 1 14 . 1 1 1 1 TRP CD1 C 13 124.378 0.4 . 1 . . . . . 1 TRP CD1 . 17017 1 15 . 1 1 1 1 TRP CE3 C 13 118.803 0.4 . 1 . . . . . 1 TRP CE3 . 17017 1 16 . 1 1 1 1 TRP CH2 C 13 125.048 0.4 . 1 . . . . . 1 TRP CH2 . 17017 1 17 . 1 1 1 1 TRP CZ2 C 13 113.818 0.4 . 1 . . . . . 1 TRP CZ2 . 17017 1 18 . 1 1 1 1 TRP CZ3 C 13 122.101 0.4 . 1 . . . . . 1 TRP CZ3 . 17017 1 19 . 1 1 1 1 TRP N N 15 123.388 0.4 . 1 . . . . . 1 TRP N . 17017 1 20 . 1 1 1 1 TRP NE1 N 15 128.440 0.4 . 1 . . . . . 1 TRP NE1 . 17017 1 21 . 1 1 2 2 ARG H H 1 8.406 0.05 . 1 . . . . . 2 ARG H . 17017 1 22 . 1 1 2 2 ARG HA H 1 4.894 0.05 . 1 . . . . . 2 ARG HA . 17017 1 23 . 1 1 2 2 ARG HB2 H 1 1.736 0.05 . 2 . . . . . 2 ARG HB2 . 17017 1 24 . 1 1 2 2 ARG HB3 H 1 1.644 0.05 . 2 . . . . . 2 ARG HB3 . 17017 1 25 . 1 1 2 2 ARG HD2 H 1 3.134 0.05 . 2 . . . . . 2 ARG QD . 17017 1 26 . 1 1 2 2 ARG HD3 H 1 3.134 0.05 . 2 . . . . . 2 ARG QD . 17017 1 27 . 1 1 2 2 ARG HG2 H 1 1.543 0.05 . 2 . . . . . 2 ARG HG2 . 17017 1 28 . 1 1 2 2 ARG HG3 H 1 1.498 0.05 . 2 . . . . . 2 ARG HG3 . 17017 1 29 . 1 1 2 2 ARG C C 13 177.094 0.4 . 1 . . . . . 2 ARG C . 17017 1 30 . 1 1 2 2 ARG CA C 13 55.179 0.4 . 1 . . . . . 2 ARG CA . 17017 1 31 . 1 1 2 2 ARG CB C 13 31.607 0.4 . 1 . . . . . 2 ARG CB . 17017 1 32 . 1 1 2 2 ARG CD C 13 43.399 0.4 . 1 . . . . . 2 ARG CD . 17017 1 33 . 1 1 2 2 ARG CG C 13 27.194 0.4 . 1 . . . . . 2 ARG CG . 17017 1 34 . 1 1 2 2 ARG N N 15 121.684 0.4 . 1 . . . . . 2 ARG N . 17017 1 35 . 1 1 3 3 VAL H H 1 8.698 0.05 . 1 . . . . . 3 VAL H . 17017 1 36 . 1 1 3 3 VAL HA H 1 4.579 0.05 . 1 . . . . . 3 VAL HA . 17017 1 37 . 1 1 3 3 VAL HB H 1 1.923 0.05 . 1 . . . . . 3 VAL HB . 17017 1 38 . 1 1 3 3 VAL HG11 H 1 0.846 0.05 . . . . . . . 3 VAL QG1 . 17017 1 39 . 1 1 3 3 VAL HG12 H 1 0.846 0.05 . . . . . . . 3 VAL QG1 . 17017 1 40 . 1 1 3 3 VAL HG13 H 1 0.846 0.05 . . . . . . . 3 VAL QG1 . 17017 1 41 . 1 1 3 3 VAL C C 13 179.316 0.4 . 1 . . . . . 3 VAL C . 17017 1 42 . 1 1 3 3 VAL CA C 13 61.063 0.4 . 1 . . . . . 3 VAL CA . 17017 1 43 . 1 1 3 3 VAL CB C 13 35.487 0.4 . 1 . . . . . 3 VAL CB . 17017 1 44 . 1 1 3 3 VAL CG1 C 13 22.050 0.4 . 2 . . . . . 3 VAL CG1 . 17017 1 45 . 1 1 3 3 VAL N N 15 123.428 0.4 . 1 . . . . . 3 VAL N . 17017 1 46 . 1 1 4 4 ARG H H 1 8.234 0.05 . 1 . . . . . 4 ARG H . 17017 1 47 . 1 1 4 4 ARG HA H 1 5.210 0.05 . 1 . . . . . 4 ARG HA . 17017 1 48 . 1 1 4 4 ARG HB2 H 1 1.666 0.05 . 2 . . . . . 4 ARG HB2 . 17017 1 49 . 1 1 4 4 ARG HB3 H 1 1.549 0.05 . 2 . . . . . 4 ARG HB3 . 17017 1 50 . 1 1 4 4 ARG HD2 H 1 3.093 0.05 . 2 . . . . . 4 ARG HD2 . 17017 1 51 . 1 1 4 4 ARG HD3 H 1 3.004 0.05 . 2 . . . . . 4 ARG HD3 . 17017 1 52 . 1 1 4 4 ARG HG2 H 1 1.543 0.05 . 2 . . . . . 4 ARG QG . 17017 1 53 . 1 1 4 4 ARG HG3 H 1 1.543 0.05 . 2 . . . . . 4 ARG QG . 17017 1 54 . 1 1 4 4 ARG C C 13 178.118 0.4 . 1 . . . . . 4 ARG C . 17017 1 55 . 1 1 4 4 ARG CA C 13 54.171 0.4 . 1 . . . . . 4 ARG CA . 17017 1 56 . 1 1 4 4 ARG CB C 13 33.831 0.4 . 1 . . . . . 4 ARG CB . 17017 1 57 . 1 1 4 4 ARG CD C 13 43.653 0.4 . 1 . . . . . 4 ARG CD . 17017 1 58 . 1 1 4 4 ARG CG C 13 28.201 0.4 . 1 . . . . . 4 ARG CG . 17017 1 59 . 1 1 4 4 ARG N N 15 123.910 0.4 . 1 . . . . . 4 ARG N . 17017 1 60 . 1 1 5 5 CYS H H 1 9.284 0.05 . 1 . . . . . 5 CYS H . 17017 1 61 . 1 1 5 5 CYS HA H 1 5.581 0.05 . 1 . . . . . 5 CYS HA . 17017 1 62 . 1 1 5 5 CYS HB2 H 1 2.610 0.05 . 2 . . . . . 5 CYS HB2 . 17017 1 63 . 1 1 5 5 CYS HB3 H 1 2.584 0.05 . 2 . . . . . 5 CYS HB3 . 17017 1 64 . 1 1 5 5 CYS C C 13 181.066 0.4 . 1 . . . . . 5 CYS C . 17017 1 65 . 1 1 5 5 CYS CA C 13 56.103 0.4 . 1 . . . . . 5 CYS CA . 17017 1 66 . 1 1 5 5 CYS CB C 13 30.200 0.4 . 1 . . . . . 5 CYS CB . 17017 1 67 . 1 1 5 5 CYS N N 15 118.682 0.4 . 1 . . . . . 5 CYS N . 17017 1 68 . 1 1 6 6 LYS H H 1 9.193 0.05 . 1 . . . . . 6 LYS H . 17017 1 69 . 1 1 6 6 LYS HA H 1 5.211 0.05 . 1 . . . . . 6 LYS HA . 17017 1 70 . 1 1 6 6 LYS HB2 H 1 1.849 0.05 . 2 . . . . . 6 LYS HB2 . 17017 1 71 . 1 1 6 6 LYS HB3 H 1 1.780 0.05 . 2 . . . . . 6 LYS HB3 . 17017 1 72 . 1 1 6 6 LYS HD2 H 1 1.564 0.05 . 2 . . . . . 6 LYS QD . 17017 1 73 . 1 1 6 6 LYS HD3 H 1 1.564 0.05 . 2 . . . . . 6 LYS QD . 17017 1 74 . 1 1 6 6 LYS HE2 H 1 2.845 0.05 . 2 . . . . . 6 LYS QE . 17017 1 75 . 1 1 6 6 LYS HE3 H 1 2.845 0.05 . 2 . . . . . 6 LYS QE . 17017 1 76 . 1 1 6 6 LYS HG2 H 1 1.357 0.05 . 2 . . . . . 6 LYS QG . 17017 1 77 . 1 1 6 6 LYS HG3 H 1 1.357 0.05 . 2 . . . . . 6 LYS QG . 17017 1 78 . 1 1 6 6 LYS C C 13 178.767 0.4 . 1 . . . . . 6 LYS C . 17017 1 79 . 1 1 6 6 LYS CA C 13 54.703 0.4 . 1 . . . . . 6 LYS CA . 17017 1 80 . 1 1 6 6 LYS CB C 13 34.631 0.4 . 1 . . . . . 6 LYS CB . 17017 1 81 . 1 1 6 6 LYS CD C 13 29.527 0.4 . 1 . . . . . 6 LYS CD . 17017 1 82 . 1 1 6 6 LYS CE C 13 42.142 0.4 . 1 . . . . . 6 LYS CE . 17017 1 83 . 1 1 6 6 LYS CG C 13 24.809 0.4 . 1 . . . . . 6 LYS CG . 17017 1 84 . 1 1 6 6 LYS N N 15 129.124 0.4 . 1 . . . . . 6 LYS N . 17017 1 85 . 1 1 7 7 ALA H H 1 8.713 0.05 . 1 . . . . . 7 ALA H . 17017 1 86 . 1 1 7 7 ALA HA H 1 4.874 0.05 . 1 . . . . . 7 ALA HA . 17017 1 87 . 1 1 7 7 ALA HB1 H 1 1.345 0.05 . . . . . . . 7 ALA QB . 17017 1 88 . 1 1 7 7 ALA HB2 H 1 1.345 0.05 . . . . . . . 7 ALA QB . 17017 1 89 . 1 1 7 7 ALA HB3 H 1 1.345 0.05 . . . . . . . 7 ALA QB . 17017 1 90 . 1 1 7 7 ALA C C 13 176.291 0.4 . 1 . . . . . 7 ALA C . 17017 1 91 . 1 1 7 7 ALA CA C 13 51.519 0.4 . 1 . . . . . 7 ALA CA . 17017 1 92 . 1 1 7 7 ALA CB C 13 23.058 0.4 . 1 . . . . . 7 ALA CB . 17017 1 93 . 1 1 7 7 ALA N N 15 126.435 0.4 . 1 . . . . . 7 ALA N . 17017 1 94 . 1 1 8 8 LYS H H 1 9.585 0.05 . 1 . . . . . 8 LYS H . 17017 1 95 . 1 1 8 8 LYS HA H 1 4.021 0.05 . 1 . . . . . 8 LYS HA . 17017 1 96 . 1 1 8 8 LYS HD2 H 1 1.718 0.05 . 2 . . . . . 8 LYS QD . 17017 1 97 . 1 1 8 8 LYS HD3 H 1 1.718 0.05 . 2 . . . . . 8 LYS QD . 17017 1 98 . 1 1 8 8 LYS HE2 H 1 2.963 0.05 . 2 . . . . . 8 LYS HE2 . 17017 1 99 . 1 1 8 8 LYS HE3 H 1 2.928 0.05 . 2 . . . . . 8 LYS HE3 . 17017 1 100 . 1 1 8 8 LYS HG2 H 1 1.447 0.05 . 2 . . . . . 8 LYS HG2 . 17017 1 101 . 1 1 8 8 LYS HG3 H 1 1.416 0.05 . 2 . . . . . 8 LYS HG3 . 17017 1 102 . 1 1 8 8 LYS C C 13 176.468 0.4 . 1 . . . . . 8 LYS C . 17017 1 103 . 1 1 8 8 LYS CA C 13 57.397 0.4 . 1 . . . . . 8 LYS CA . 17017 1 104 . 1 1 8 8 LYS CD C 13 29.052 0.4 . 1 . . . . . 8 LYS CD . 17017 1 105 . 1 1 8 8 LYS CE C 13 42.188 0.4 . 1 . . . . . 8 LYS CE . 17017 1 106 . 1 1 8 8 LYS CG C 13 25.224 0.4 . 1 . . . . . 8 LYS CG . 17017 1 107 . 1 1 8 8 LYS N N 15 122.280 0.4 . 1 . . . . . 8 LYS N . 17017 1 108 . 1 1 9 9 GLY H H 1 8.776 0.05 . 1 . . . . . 9 GLY H . 17017 1 109 . 1 1 9 9 GLY HA2 H 1 4.099 0.05 . 2 . . . . . 9 GLY HA2 . 17017 1 110 . 1 1 9 9 GLY HA3 H 1 3.752 0.05 . 2 . . . . . 9 GLY HA3 . 17017 1 111 . 1 1 9 9 GLY C C 13 179.062 0.4 . 1 . . . . . 9 GLY C . 17017 1 112 . 1 1 9 9 GLY CA C 13 45.692 0.4 . 1 . . . . . 9 GLY CA . 17017 1 113 . 1 1 9 9 GLY N N 15 106.476 0.4 . 1 . . . . . 9 GLY N . 17017 1 114 . 1 1 10 10 GLY H H 1 8.013 0.05 . 1 . . . . . 10 GLY H . 17017 1 115 . 1 1 10 10 GLY HA2 H 1 4.352 0.05 . 2 . . . . . 10 GLY HA2 . 17017 1 116 . 1 1 10 10 GLY HA3 H 1 3.736 0.05 . 2 . . . . . 10 GLY HA3 . 17017 1 117 . 1 1 10 10 GLY C C 13 176.801 0.4 . 1 . . . . . 10 GLY C . 17017 1 118 . 1 1 10 10 GLY CA C 13 44.198 0.4 . 1 . . . . . 10 GLY CA . 17017 1 119 . 1 1 10 10 GLY N N 15 109.310 0.4 . 1 . . . . . 10 GLY N . 17017 1 120 . 1 1 11 11 THR H H 1 7.987 0.05 . 1 . . . . . 11 THR H . 17017 1 121 . 1 1 11 11 THR HA H 1 5.045 0.05 . 1 . . . . . 11 THR HA . 17017 1 122 . 1 1 11 11 THR HB H 1 3.786 0.05 . 1 . . . . . 11 THR HB . 17017 1 123 . 1 1 11 11 THR HG21 H 1 1.014 0.05 . . . . . . . 11 THR QG2 . 17017 1 124 . 1 1 11 11 THR HG22 H 1 1.014 0.05 . . . . . . . 11 THR QG2 . 17017 1 125 . 1 1 11 11 THR HG23 H 1 1.014 0.05 . . . . . . . 11 THR QG2 . 17017 1 126 . 1 1 11 11 THR C C 13 179.819 0.4 . 1 . . . . . 11 THR C . 17017 1 127 . 1 1 11 11 THR CA C 13 61.521 0.4 . 1 . . . . . 11 THR CA . 17017 1 128 . 1 1 11 11 THR CB C 13 70.033 0.4 . 1 . . . . . 11 THR CB . 17017 1 129 . 1 1 11 11 THR CG2 C 13 22.039 0.4 . 1 . . . . . 11 THR CG2 . 17017 1 130 . 1 1 11 11 THR N N 15 115.113 0.4 . 1 . . . . . 11 THR N . 17017 1 131 . 1 1 12 12 HIS H H 1 9.031 0.05 . 1 . . . . . 12 HIS H . 17017 1 132 . 1 1 12 12 HIS HA H 1 4.749 0.05 . 1 . . . . . 12 HIS HA . 17017 1 133 . 1 1 12 12 HIS HB2 H 1 2.971 0.05 . 2 . . . . . 12 HIS HB2 . 17017 1 134 . 1 1 12 12 HIS HB3 H 1 2.644 0.05 . 2 . . . . . 12 HIS HB3 . 17017 1 135 . 1 1 12 12 HIS C C 13 179.025 0.4 . 1 . . . . . 12 HIS C . 17017 1 136 . 1 1 12 12 HIS CA C 13 54.780 0.4 . 1 . . . . . 12 HIS CA . 17017 1 137 . 1 1 12 12 HIS CB C 13 34.635 0.4 . 1 . . . . . 12 HIS CB . 17017 1 138 . 1 1 12 12 HIS N N 15 124.916 0.4 . 1 . . . . . 12 HIS N . 17017 1 139 . 1 1 13 13 LEU H H 1 8.933 0.05 . 1 . . . . . 13 LEU H . 17017 1 140 . 1 1 13 13 LEU HA H 1 4.626 0.05 . 1 . . . . . 13 LEU HA . 17017 1 141 . 1 1 13 13 LEU HB2 H 1 1.695 0.05 . 2 . . . . . 13 LEU HB2 . 17017 1 142 . 1 1 13 13 LEU HB3 H 1 1.473 0.05 . 2 . . . . . 13 LEU HB3 . 17017 1 143 . 1 1 13 13 LEU HD11 H 1 0.817 0.05 . . . . . . . 13 LEU QD1 . 17017 1 144 . 1 1 13 13 LEU HD12 H 1 0.817 0.05 . . . . . . . 13 LEU QD1 . 17017 1 145 . 1 1 13 13 LEU HD13 H 1 0.817 0.05 . . . . . . . 13 LEU QD1 . 17017 1 146 . 1 1 13 13 LEU HD21 H 1 0.818 0.05 . . . . . . . 13 LEU QD2 . 17017 1 147 . 1 1 13 13 LEU HD22 H 1 0.818 0.05 . . . . . . . 13 LEU QD2 . 17017 1 148 . 1 1 13 13 LEU HD23 H 1 0.818 0.05 . . . . . . . 13 LEU QD2 . 17017 1 149 . 1 1 13 13 LEU HG H 1 1.473 0.05 . 1 . . . . . 13 LEU HG . 17017 1 150 . 1 1 13 13 LEU C C 13 177.411 0.4 . 1 . . . . . 13 LEU C . 17017 1 151 . 1 1 13 13 LEU CA C 13 54.304 0.4 . 1 . . . . . 13 LEU CA . 17017 1 152 . 1 1 13 13 LEU CB C 13 42.787 0.4 . 1 . . . . . 13 LEU CB . 17017 1 153 . 1 1 13 13 LEU CD1 C 13 25.107 0.4 . 2 . . . . . 13 LEU CD1 . 17017 1 154 . 1 1 13 13 LEU CD2 C 13 23.874 0.4 . 2 . . . . . 13 LEU CD2 . 17017 1 155 . 1 1 13 13 LEU CG C 13 27.033 0.4 . 1 . . . . . 13 LEU CG . 17017 1 156 . 1 1 13 13 LEU N N 15 125.059 0.4 . 1 . . . . . 13 LEU N . 17017 1 157 . 1 1 14 14 LEU H H 1 8.596 0.05 . 1 . . . . . 14 LEU H . 17017 1 158 . 1 1 14 14 LEU HA H 1 4.506 0.05 . 1 . . . . . 14 LEU HA . 17017 1 159 . 1 1 14 14 LEU HB2 H 1 1.789 0.05 . 2 . . . . . 14 LEU HB2 . 17017 1 160 . 1 1 14 14 LEU HB3 H 1 1.194 0.05 . 2 . . . . . 14 LEU HB3 . 17017 1 161 . 1 1 14 14 LEU HD11 H 1 0.651 0.05 . . . . . . . 14 LEU QD1 . 17017 1 162 . 1 1 14 14 LEU HD12 H 1 0.651 0.05 . . . . . . . 14 LEU QD1 . 17017 1 163 . 1 1 14 14 LEU HD13 H 1 0.651 0.05 . . . . . . . 14 LEU QD1 . 17017 1 164 . 1 1 14 14 LEU HD21 H 1 0.676 0.05 . . . . . . . 14 LEU QD2 . 17017 1 165 . 1 1 14 14 LEU HD22 H 1 0.676 0.05 . . . . . . . 14 LEU QD2 . 17017 1 166 . 1 1 14 14 LEU HD23 H 1 0.676 0.05 . . . . . . . 14 LEU QD2 . 17017 1 167 . 1 1 14 14 LEU HG H 1 1.529 0.05 . 1 . . . . . 14 LEU HG . 17017 1 168 . 1 1 14 14 LEU C C 13 177.094 0.4 . 1 . . . . . 14 LEU C . 17017 1 169 . 1 1 14 14 LEU CA C 13 54.438 0.4 . 1 . . . . . 14 LEU CA . 17017 1 170 . 1 1 14 14 LEU CB C 13 42.229 0.4 . 1 . . . . . 14 LEU CB . 17017 1 171 . 1 1 14 14 LEU CD1 C 13 26.128 0.4 . 2 . . . . . 14 LEU CD1 . 17017 1 172 . 1 1 14 14 LEU CD2 C 13 23.579 0.4 . 2 . . . . . 14 LEU CD2 . 17017 1 173 . 1 1 14 14 LEU CG C 13 27.552 0.4 . 1 . . . . . 14 LEU CG . 17017 1 174 . 1 1 14 14 LEU N N 15 126.308 0.4 . 1 . . . . . 14 LEU N . 17017 1 175 . 1 1 15 15 GLN H H 1 9.086 0.05 . 1 . . . . . 15 GLN H . 17017 1 176 . 1 1 15 15 GLN HA H 1 4.83 0.05 . 1 . . . . . 15 GLN HA . 17017 1 177 . 1 1 15 15 GLN HB2 H 1 2.097 0.05 . 2 . . . . . 15 GLN HB2 . 17017 1 178 . 1 1 15 15 GLN HB3 H 1 1.893 0.05 . 2 . . . . . 15 GLN HB3 . 17017 1 179 . 1 1 15 15 GLN HE21 H 1 6.792 0.05 . 2 . . . . . 15 GLN HE21 . 17017 1 180 . 1 1 15 15 GLN HE22 H 1 7.480 0.05 . 2 . . . . . 15 GLN HE22 . 17017 1 181 . 1 1 15 15 GLN HG2 H 1 2.301 0.05 . 2 . . . . . 15 GLN HG2 . 17017 1 182 . 1 1 15 15 GLN HG3 H 1 2.203 0.05 . 2 . . . . . 15 GLN HG3 . 17017 1 183 . 1 1 15 15 GLN C C 13 176.527 0.4 . 1 . . . . . 15 GLN C . 17017 1 184 . 1 1 15 15 GLN CA C 13 54.611 0.4 . 1 . . . . . 15 GLN CA . 17017 1 185 . 1 1 15 15 GLN CB C 13 32.290 0.4 . 1 . . . . . 15 GLN CB . 17017 1 186 . 1 1 15 15 GLN CG C 13 34.207 0.4 . 1 . . . . . 15 GLN CG . 17017 1 187 . 1 1 15 15 GLN N N 15 120.746 0.4 . 1 . . . . . 15 GLN N . 17017 1 188 . 1 1 15 15 GLN NE2 N 15 112.345 0.4 . 1 . . . . . 15 GLN NE2 . 17017 1 189 . 1 1 16 16 GLY H H 1 8.788 0.05 . 1 . . . . . 16 GLY H . 17017 1 190 . 1 1 16 16 GLY HA2 H 1 3.844 0.05 . 2 . . . . . 16 GLY QA . 17017 1 191 . 1 1 16 16 GLY HA3 H 1 3.844 0.05 . 2 . . . . . 16 GLY QA . 17017 1 192 . 1 1 16 16 GLY C C 13 178.655 0.4 . 1 . . . . . 16 GLY C . 17017 1 193 . 1 1 16 16 GLY CA C 13 46.735 0.4 . 1 . . . . . 16 GLY CA . 17017 1 194 . 1 1 16 16 GLY N N 15 109.082 0.4 . 1 . . . . . 16 GLY N . 17017 1 195 . 1 1 17 17 LEU H H 1 8.122 0.05 . 1 . . . . . 17 LEU H . 17017 1 196 . 1 1 17 17 LEU HA H 1 4.390 0.05 . 1 . . . . . 17 LEU HA . 17017 1 197 . 1 1 17 17 LEU HB2 H 1 1.648 0.05 . 2 . . . . . 17 LEU HB2 . 17017 1 198 . 1 1 17 17 LEU HB3 H 1 1.029 0.05 . 2 . . . . . 17 LEU HB3 . 17017 1 199 . 1 1 17 17 LEU HD11 H 1 0.696 0.05 . . . . . . . 17 LEU QD1 . 17017 1 200 . 1 1 17 17 LEU HD12 H 1 0.696 0.05 . . . . . . . 17 LEU QD1 . 17017 1 201 . 1 1 17 17 LEU HD13 H 1 0.696 0.05 . . . . . . . 17 LEU QD1 . 17017 1 202 . 1 1 17 17 LEU HD21 H 1 0.731 0.05 . . . . . . . 17 LEU QD2 . 17017 1 203 . 1 1 17 17 LEU HD22 H 1 0.731 0.05 . . . . . . . 17 LEU QD2 . 17017 1 204 . 1 1 17 17 LEU HD23 H 1 0.731 0.05 . . . . . . . 17 LEU QD2 . 17017 1 205 . 1 1 17 17 LEU HG H 1 1.413 0.05 . 1 . . . . . 17 LEU HG . 17017 1 206 . 1 1 17 17 LEU C C 13 178.284 0.4 . 1 . . . . . 17 LEU C . 17017 1 207 . 1 1 17 17 LEU CA C 13 53.638 0.4 . 1 . . . . . 17 LEU CA . 17017 1 208 . 1 1 17 17 LEU CB C 13 43.410 0.4 . 1 . . . . . 17 LEU CB . 17017 1 209 . 1 1 17 17 LEU CD1 C 13 26.278 0.4 . 2 . . . . . 17 LEU CD1 . 17017 1 210 . 1 1 17 17 LEU CD2 C 13 23.382 0.4 . 2 . . . . . 17 LEU CD2 . 17017 1 211 . 1 1 17 17 LEU CG C 13 27.228 0.4 . 1 . . . . . 17 LEU CG . 17017 1 212 . 1 1 17 17 LEU N N 15 119.667 0.4 . 1 . . . . . 17 LEU N . 17017 1 213 . 1 1 18 18 SER H H 1 8.506 0.05 . 1 . . . . . 18 SER H . 17017 1 214 . 1 1 18 18 SER HA H 1 3.663 0.05 . 1 . . . . . 18 SER HA . 17017 1 215 . 1 1 18 18 SER HB2 H 1 3.927 0.05 . 2 . . . . . 18 SER HB2 . 17017 1 216 . 1 1 18 18 SER HB3 H 1 3.661 0.05 . 2 . . . . . 18 SER HB3 . 17017 1 217 . 1 1 18 18 SER C C 13 179.946 0.4 . 1 . . . . . 18 SER C . 17017 1 218 . 1 1 18 18 SER CA C 13 56.790 0.4 . 1 . . . . . 18 SER CA . 17017 1 219 . 1 1 18 18 SER CB C 13 66.676 0.4 . 1 . . . . . 18 SER CB . 17017 1 220 . 1 1 18 18 SER N N 15 115.025 0.4 . 1 . . . . . 18 SER N . 17017 1 221 . 1 1 19 19 SER H H 1 8.105 0.05 . 1 . . . . . 19 SER H . 17017 1 222 . 1 1 19 19 SER HA H 1 3.334 0.05 . 1 . . . . . 19 SER HA . 17017 1 223 . 1 1 19 19 SER HB2 H 1 3.907 0.05 . 2 . . . . . 19 SER HB2 . 17017 1 224 . 1 1 19 19 SER HB3 H 1 3.882 0.05 . 2 . . . . . 19 SER HB3 . 17017 1 225 . 1 1 19 19 SER C C 13 178.734 0.4 . 1 . . . . . 19 SER C . 17017 1 226 . 1 1 19 19 SER CA C 13 60.727 0.4 . 1 . . . . . 19 SER CA . 17017 1 227 . 1 1 19 19 SER CB C 13 62.477 0.4 . 1 . . . . . 19 SER CB . 17017 1 228 . 1 1 19 19 SER N N 15 113.430 0.4 . 1 . . . . . 19 SER N . 17017 1 229 . 1 1 20 20 ARG H H 1 7.438 0.05 . 1 . . . . . 20 ARG H . 17017 1 230 . 1 1 20 20 ARG HA H 1 4.155 0.05 . 1 . . . . . 20 ARG HA . 17017 1 231 . 1 1 20 20 ARG HB2 H 1 1.907 0.05 . 2 . . . . . 20 ARG HB2 . 17017 1 232 . 1 1 20 20 ARG HB3 H 1 1.489 0.05 . 2 . . . . . 20 ARG HB3 . 17017 1 233 . 1 1 20 20 ARG HD2 H 1 3.096 0.05 . 2 . . . . . 20 ARG QD . 17017 1 234 . 1 1 20 20 ARG HD3 H 1 3.096 0.05 . 2 . . . . . 20 ARG QD . 17017 1 235 . 1 1 20 20 ARG HG2 H 1 1.561 0.05 . 2 . . . . . 20 ARG HG2 . 17017 1 236 . 1 1 20 20 ARG HG3 H 1 1.521 0.05 . 2 . . . . . 20 ARG HG3 . 17017 1 237 . 1 1 20 20 ARG C C 13 176.750 0.4 . 1 . . . . . 20 ARG C . 17017 1 238 . 1 1 20 20 ARG CA C 13 55.422 0.4 . 1 . . . . . 20 ARG CA . 17017 1 239 . 1 1 20 20 ARG CB C 13 30.437 0.4 . 1 . . . . . 20 ARG CB . 17017 1 240 . 1 1 20 20 ARG CD C 13 43.167 0.4 . 1 . . . . . 20 ARG CD . 17017 1 241 . 1 1 20 20 ARG CG C 13 27.112 0.4 . 1 . . . . . 20 ARG CG . 17017 1 242 . 1 1 20 20 ARG N N 15 115.986 0.4 . 1 . . . . . 20 ARG N . 17017 1 243 . 1 1 21 21 THR H H 1 7.505 0.05 . 1 . . . . . 21 THR H . 17017 1 244 . 1 1 21 21 THR HA H 1 3.839 0.05 . 1 . . . . . 21 THR HA . 17017 1 245 . 1 1 21 21 THR HB H 1 3.889 0.05 . 1 . . . . . 21 THR HB . 17017 1 246 . 1 1 21 21 THR HG21 H 1 1.302 0.05 . . . . . . . 21 THR QG2 . 17017 1 247 . 1 1 21 21 THR HG22 H 1 1.302 0.05 . . . . . . . 21 THR QG2 . 17017 1 248 . 1 1 21 21 THR HG23 H 1 1.302 0.05 . . . . . . . 21 THR QG2 . 17017 1 249 . 1 1 21 21 THR C C 13 179.592 0.4 . 1 . . . . . 21 THR C . 17017 1 250 . 1 1 21 21 THR CA C 13 64.958 0.4 . 1 . . . . . 21 THR CA . 17017 1 251 . 1 1 21 21 THR CB C 13 69.542 0.4 . 1 . . . . . 21 THR CB . 17017 1 252 . 1 1 21 21 THR CG2 C 13 22.126 0.4 . 1 . . . . . 21 THR CG2 . 17017 1 253 . 1 1 21 21 THR N N 15 120.874 0.4 . 1 . . . . . 21 THR N . 17017 1 254 . 1 1 22 22 ARG H H 1 8.964 0.05 . 1 . . . . . 22 ARG H . 17017 1 255 . 1 1 22 22 ARG HA H 1 4.665 0.05 . 1 . . . . . 22 ARG HA . 17017 1 256 . 1 1 22 22 ARG HB2 H 1 1.938 0.05 . 2 . . . . . 22 ARG HB2 . 17017 1 257 . 1 1 22 22 ARG HB3 H 1 1.730 0.05 . 2 . . . . . 22 ARG HB3 . 17017 1 258 . 1 1 22 22 ARG HD2 H 1 3.235 0.05 . 2 . . . . . 22 ARG HD2 . 17017 1 259 . 1 1 22 22 ARG HD3 H 1 3.153 0.05 . 2 . . . . . 22 ARG HD3 . 17017 1 260 . 1 1 22 22 ARG HG2 H 1 1.794 0.05 . 2 . . . . . 22 ARG HG2 . 17017 1 261 . 1 1 22 22 ARG HG3 H 1 1.655 0.05 . 2 . . . . . 22 ARG HG3 . 17017 1 262 . 1 1 22 22 ARG C C 13 174.502 0.4 . 1 . . . . . 22 ARG C . 17017 1 263 . 1 1 22 22 ARG CA C 13 55.358 0.4 . 1 . . . . . 22 ARG CA . 17017 1 264 . 1 1 22 22 ARG CB C 13 31.862 0.4 . 1 . . . . . 22 ARG CB . 17017 1 265 . 1 1 22 22 ARG CD C 13 43.610 0.4 . 1 . . . . . 22 ARG CD . 17017 1 266 . 1 1 22 22 ARG CG C 13 28.029 0.4 . 1 . . . . . 22 ARG CG . 17017 1 267 . 1 1 22 22 ARG N N 15 125.376 0.4 . 1 . . . . . 22 ARG N . 17017 1 268 . 1 1 23 23 LEU H H 1 9.181 0.05 . 1 . . . . . 23 LEU H . 17017 1 269 . 1 1 23 23 LEU HA H 1 3.862 0.05 . 1 . . . . . 23 LEU HA . 17017 1 270 . 1 1 23 23 LEU HB2 H 1 1.853 0.05 . 2 . . . . . 23 LEU HB2 . 17017 1 271 . 1 1 23 23 LEU HB3 H 1 1.362 0.05 . 2 . . . . . 23 LEU HB3 . 17017 1 272 . 1 1 23 23 LEU HD11 H 1 0.882 0.05 . . . . . . . 23 LEU QD1 . 17017 1 273 . 1 1 23 23 LEU HD12 H 1 0.882 0.05 . . . . . . . 23 LEU QD1 . 17017 1 274 . 1 1 23 23 LEU HD13 H 1 0.882 0.05 . . . . . . . 23 LEU QD1 . 17017 1 275 . 1 1 23 23 LEU HD21 H 1 0.726 0.05 . . . . . . . 23 LEU QD2 . 17017 1 276 . 1 1 23 23 LEU HD22 H 1 0.726 0.05 . . . . . . . 23 LEU QD2 . 17017 1 277 . 1 1 23 23 LEU HD23 H 1 0.726 0.05 . . . . . . . 23 LEU QD2 . 17017 1 278 . 1 1 23 23 LEU HG H 1 1.620 0.05 . 1 . . . . . 23 LEU HG . 17017 1 279 . 1 1 23 23 LEU C C 13 174.542 0.4 . 1 . . . . . 23 LEU C . 17017 1 280 . 1 1 23 23 LEU CA C 13 58.747 0.4 . 1 . . . . . 23 LEU CA . 17017 1 281 . 1 1 23 23 LEU CB C 13 41.302 0.4 . 1 . . . . . 23 LEU CB . 17017 1 282 . 1 1 23 23 LEU CD1 C 13 25.942 0.4 . 2 . . . . . 23 LEU CD1 . 17017 1 283 . 1 1 23 23 LEU CD2 C 13 22.792 0.4 . 2 . . . . . 23 LEU CD2 . 17017 1 284 . 1 1 23 23 LEU CG C 13 26.487 0.4 . 1 . . . . . 23 LEU CG . 17017 1 285 . 1 1 23 23 LEU N N 15 125.925 0.4 . 1 . . . . . 23 LEU N . 17017 1 286 . 1 1 24 24 ARG H H 1 8.874 0.05 . 1 . . . . . 24 ARG H . 17017 1 287 . 1 1 24 24 ARG HA H 1 4.194 0.05 . 1 . . . . . 24 ARG HA . 17017 1 288 . 1 1 24 24 ARG HB2 H 1 1.904 0.05 . 2 . . . . . 24 ARG HB2 . 17017 1 289 . 1 1 24 24 ARG HB3 H 1 1.744 0.05 . 2 . . . . . 24 ARG HB3 . 17017 1 290 . 1 1 24 24 ARG HD2 H 1 3.149 0.05 . 2 . . . . . 24 ARG QD . 17017 1 291 . 1 1 24 24 ARG HD3 H 1 3.149 0.05 . 2 . . . . . 24 ARG QD . 17017 1 292 . 1 1 24 24 ARG HG2 H 1 1.581 0.05 . 2 . . . . . 24 ARG QG . 17017 1 293 . 1 1 24 24 ARG HG3 H 1 1.581 0.05 . 2 . . . . . 24 ARG QG . 17017 1 294 . 1 1 24 24 ARG C C 13 174.580 0.4 . 1 . . . . . 24 ARG C . 17017 1 295 . 1 1 24 24 ARG CA C 13 59.314 0.4 . 1 . . . . . 24 ARG CA . 17017 1 296 . 1 1 24 24 ARG CB C 13 29.498 0.4 . 1 . . . . . 24 ARG CB . 17017 1 297 . 1 1 24 24 ARG CD C 13 43.144 0.4 . 1 . . . . . 24 ARG CD . 17017 1 298 . 1 1 24 24 ARG CG C 13 27.188 0.4 . 1 . . . . . 24 ARG CG . 17017 1 299 . 1 1 24 24 ARG N N 15 114.711 0.4 . 1 . . . . . 24 ARG N . 17017 1 300 . 1 1 25 25 GLU H H 1 7.163 0.05 . 1 . . . . . 25 GLU H . 17017 1 301 . 1 1 25 25 GLU HA H 1 4.201 0.05 . 1 . . . . . 25 GLU HA . 17017 1 302 . 1 1 25 25 GLU HB2 H 1 2.044 0.05 . 2 . . . . . 25 GLU HB2 . 17017 1 303 . 1 1 25 25 GLU HB3 H 1 2.414 0.05 . 2 . . . . . 25 GLU HB3 . 17017 1 304 . 1 1 25 25 GLU HG2 H 1 2.306 0.05 . 2 . . . . . 25 GLU HG2 . 17017 1 305 . 1 1 25 25 GLU HG3 H 1 2.186 0.05 . 2 . . . . . 25 GLU HG3 . 17017 1 306 . 1 1 25 25 GLU C C 13 173.442 0.4 . 1 . . . . . 25 GLU C . 17017 1 307 . 1 1 25 25 GLU CA C 13 58.874 0.4 . 1 . . . . . 25 GLU CA . 17017 1 308 . 1 1 25 25 GLU CB C 13 29.406 0.4 . 1 . . . . . 25 GLU CB . 17017 1 309 . 1 1 25 25 GLU CG C 13 37.364 0.4 . 1 . . . . . 25 GLU CG . 17017 1 310 . 1 1 25 25 GLU N N 15 120.531 0.4 . 1 . . . . . 25 GLU N . 17017 1 311 . 1 1 26 26 LEU H H 1 7.708 0.05 . 1 . . . . . 26 LEU H . 17017 1 312 . 1 1 26 26 LEU HA H 1 4.086 0.05 . 1 . . . . . 26 LEU HA . 17017 1 313 . 1 1 26 26 LEU HB2 H 1 2.203 0.05 . 2 . . . . . 26 LEU HB2 . 17017 1 314 . 1 1 26 26 LEU HB3 H 1 1.296 0.05 . 2 . . . . . 26 LEU HB3 . 17017 1 315 . 1 1 26 26 LEU HD11 H 1 0.659 0.05 . . . . . . . 26 LEU QD1 . 17017 1 316 . 1 1 26 26 LEU HD12 H 1 0.659 0.05 . . . . . . . 26 LEU QD1 . 17017 1 317 . 1 1 26 26 LEU HD13 H 1 0.659 0.05 . . . . . . . 26 LEU QD1 . 17017 1 318 . 1 1 26 26 LEU HD21 H 1 0.815 0.05 . . . . . . . 26 LEU QD2 . 17017 1 319 . 1 1 26 26 LEU HD22 H 1 0.815 0.05 . . . . . . . 26 LEU QD2 . 17017 1 320 . 1 1 26 26 LEU HD23 H 1 0.815 0.05 . . . . . . . 26 LEU QD2 . 17017 1 321 . 1 1 26 26 LEU HG H 1 1.393 0.05 . 1 . . . . . 26 LEU HG . 17017 1 322 . 1 1 26 26 LEU C C 13 174.895 0.4 . 1 . . . . . 26 LEU C . 17017 1 323 . 1 1 26 26 LEU CA C 13 58.492 0.4 . 1 . . . . . 26 LEU CA . 17017 1 324 . 1 1 26 26 LEU CB C 13 41.348 0.4 . 1 . . . . . 26 LEU CB . 17017 1 325 . 1 1 26 26 LEU CD1 C 13 25.178 0.4 . 2 . . . . . 26 LEU CD1 . 17017 1 326 . 1 1 26 26 LEU CD2 C 13 24.575 0.4 . 2 . . . . . 26 LEU CD2 . 17017 1 327 . 1 1 26 26 LEU CG C 13 27.217 0.4 . 1 . . . . . 26 LEU CG . 17017 1 328 . 1 1 26 26 LEU N N 15 123.195 0.4 . 1 . . . . . 26 LEU N . 17017 1 329 . 1 1 27 27 GLN H H 1 8.953 0.05 . 1 . . . . . 27 GLN H . 17017 1 330 . 1 1 27 27 GLN HA H 1 4.089 0.05 . 1 . . . . . 27 GLN HA . 17017 1 331 . 1 1 27 27 GLN HB2 H 1 2.196 0.05 . 2 . . . . . 27 GLN HB2 . 17017 1 332 . 1 1 27 27 GLN HB3 H 1 1.903 0.05 . 2 . . . . . 27 GLN HB3 . 17017 1 333 . 1 1 27 27 GLN HE21 H 1 6.594 0.05 . 2 . . . . . 27 GLN HE21 . 17017 1 334 . 1 1 27 27 GLN HE22 H 1 6.868 0.05 . 2 . . . . . 27 GLN HE22 . 17017 1 335 . 1 1 27 27 GLN HG2 H 1 2.294 0.05 . 2 . . . . . 27 GLN HG2 . 17017 1 336 . 1 1 27 27 GLN HG3 H 1 2.261 0.05 . 2 . . . . . 27 GLN HG3 . 17017 1 337 . 1 1 27 27 GLN C C 13 173.618 0.4 . 1 . . . . . 27 GLN C . 17017 1 338 . 1 1 27 27 GLN CA C 13 60.454 0.4 . 1 . . . . . 27 GLN CA . 17017 1 339 . 1 1 27 27 GLN CB C 13 31.827 0.4 . 1 . . . . . 27 GLN CB . 17017 1 340 . 1 1 27 27 GLN CG C 13 36.245 0.4 . 1 . . . . . 27 GLN CG . 17017 1 341 . 1 1 27 27 GLN N N 15 115.165 0.4 . 1 . . . . . 27 GLN N . 17017 1 342 . 1 1 27 27 GLN NE2 N 15 109.656 0.4 . 1 . . . . . 27 GLN NE2 . 17017 1 343 . 1 1 28 28 GLY H H 1 8.010 0.05 . 1 . . . . . 28 GLY H . 17017 1 344 . 1 1 28 28 GLY HA2 H 1 4.065 0.05 . 2 . . . . . 28 GLY HA2 . 17017 1 345 . 1 1 28 28 GLY HA3 H 1 3.786 0.05 . 2 . . . . . 28 GLY HA3 . 17017 1 346 . 1 1 28 28 GLY C C 13 177.173 0.4 . 1 . . . . . 28 GLY C . 17017 1 347 . 1 1 28 28 GLY CA C 13 47.154 0.4 . 1 . . . . . 28 GLY CA . 17017 1 348 . 1 1 28 28 GLY N N 15 108.737 0.4 . 1 . . . . . 28 GLY N . 17017 1 349 . 1 1 29 29 GLN H H 1 7.805 0.05 . 1 . . . . . 29 GLN H . 17017 1 350 . 1 1 29 29 GLN HA H 1 4.183 0.05 . 1 . . . . . 29 GLN HA . 17017 1 351 . 1 1 29 29 GLN HB2 H 1 2.099 0.05 . 2 . . . . . 29 GLN HB2 . 17017 1 352 . 1 1 29 29 GLN HB3 H 1 2.185 0.05 . 2 . . . . . 29 GLN HB3 . 17017 1 353 . 1 1 29 29 GLN HE21 H 1 7.474 0.05 . 2 . . . . . 29 GLN HE21 . 17017 1 354 . 1 1 29 29 GLN HE22 H 1 7.640 0.05 . 2 . . . . . 29 GLN HE22 . 17017 1 355 . 1 1 29 29 GLN HG2 H 1 2.562 0.05 . 2 . . . . . 29 GLN HG2 . 17017 1 356 . 1 1 29 29 GLN HG3 H 1 2.197 0.05 . 2 . . . . . 29 GLN HG3 . 17017 1 357 . 1 1 29 29 GLN C C 13 174.977 0.4 . 1 . . . . . 29 GLN C . 17017 1 358 . 1 1 29 29 GLN CA C 13 58.851 0.4 . 1 . . . . . 29 GLN CA . 17017 1 359 . 1 1 29 29 GLN CB C 13 27.981 0.4 . 1 . . . . . 29 GLN CB . 17017 1 360 . 1 1 29 29 GLN CG C 13 34.618 0.4 . 1 . . . . . 29 GLN CG . 17017 1 361 . 1 1 29 29 GLN N N 15 124.519 0.4 . 1 . . . . . 29 GLN N . 17017 1 362 . 1 1 29 29 GLN NE2 N 15 110.348 0.4 . 1 . . . . . 29 GLN NE2 . 17017 1 363 . 1 1 30 30 ILE H H 1 8.464 0.05 . 1 . . . . . 30 ILE H . 17017 1 364 . 1 1 30 30 ILE HA H 1 3.391 0.05 . 1 . . . . . 30 ILE HA . 17017 1 365 . 1 1 30 30 ILE HB H 1 1.826 0.05 . 1 . . . . . 30 ILE HB . 17017 1 366 . 1 1 30 30 ILE HD11 H 1 0.603 0.05 . . . . . . . 30 ILE QD1 . 17017 1 367 . 1 1 30 30 ILE HD12 H 1 0.603 0.05 . . . . . . . 30 ILE QD1 . 17017 1 368 . 1 1 30 30 ILE HD13 H 1 0.603 0.05 . . . . . . . 30 ILE QD1 . 17017 1 369 . 1 1 30 30 ILE HG12 H 1 1.795 0.05 . 2 . . . . . 30 ILE HG12 . 17017 1 370 . 1 1 30 30 ILE HG13 H 1 0.906 0.05 . 2 . . . . . 30 ILE HG13 . 17017 1 371 . 1 1 30 30 ILE HG21 H 1 0.723 0.05 . . . . . . . 30 ILE QG2 . 17017 1 372 . 1 1 30 30 ILE HG22 H 1 0.723 0.05 . . . . . . . 30 ILE QG2 . 17017 1 373 . 1 1 30 30 ILE HG23 H 1 0.723 0.05 . . . . . . . 30 ILE QG2 . 17017 1 374 . 1 1 30 30 ILE C C 13 173.442 0.4 . 1 . . . . . 30 ILE C . 17017 1 375 . 1 1 30 30 ILE CA C 13 65.861 0.4 . 1 . . . . . 30 ILE CA . 17017 1 376 . 1 1 30 30 ILE CB C 13 38.386 0.4 . 1 . . . . . 30 ILE CB . 17017 1 377 . 1 1 30 30 ILE CD1 C 13 13.696 0.4 . 1 . . . . . 30 ILE CD1 . 17017 1 378 . 1 1 30 30 ILE CG1 C 13 30.139 0.4 . 1 . . . . . 30 ILE CG1 . 17017 1 379 . 1 1 30 30 ILE CG2 C 13 18.588 0.4 . 1 . . . . . 30 ILE CG2 . 17017 1 380 . 1 1 30 30 ILE N N 15 118.276 0.4 . 1 . . . . . 30 ILE N . 17017 1 381 . 1 1 31 31 ALA H H 1 8.491 0.05 . 1 . . . . . 31 ALA H . 17017 1 382 . 1 1 31 31 ALA HA H 1 4.030 0.05 . 1 . . . . . 31 ALA HA . 17017 1 383 . 1 1 31 31 ALA HB1 H 1 1.370 0.05 . . . . . . . 31 ALA QB . 17017 1 384 . 1 1 31 31 ALA HB2 H 1 1.370 0.05 . . . . . . . 31 ALA QB . 17017 1 385 . 1 1 31 31 ALA HB3 H 1 1.370 0.05 . . . . . . . 31 ALA QB . 17017 1 386 . 1 1 31 31 ALA C C 13 173.442 0.4 . 1 . . . . . 31 ALA C . 17017 1 387 . 1 1 31 31 ALA CA C 13 55.399 0.4 . 1 . . . . . 31 ALA CA . 17017 1 388 . 1 1 31 31 ALA CB C 13 19.178 0.4 . 1 . . . . . 31 ALA CB . 17017 1 389 . 1 1 31 31 ALA N N 15 126.463 0.4 . 1 . . . . . 31 ALA N . 17017 1 390 . 1 1 32 32 ALA H H 1 7.616 0.05 . 1 . . . . . 32 ALA H . 17017 1 391 . 1 1 32 32 ALA HA H 1 3.997 0.05 . 1 . . . . . 32 ALA HA . 17017 1 392 . 1 1 32 32 ALA HB1 H 1 1.489 0.05 . . . . . . . 32 ALA QB . 17017 1 393 . 1 1 32 32 ALA HB2 H 1 1.489 0.05 . . . . . . . 32 ALA QB . 17017 1 394 . 1 1 32 32 ALA HB3 H 1 1.489 0.05 . . . . . . . 32 ALA QB . 17017 1 395 . 1 1 32 32 ALA C C 13 173.733 0.4 . 1 . . . . . 32 ALA C . 17017 1 396 . 1 1 32 32 ALA CA C 13 54.913 0.4 . 1 . . . . . 32 ALA CA . 17017 1 397 . 1 1 32 32 ALA CB C 13 18.147 0.4 . 1 . . . . . 32 ALA CB . 17017 1 398 . 1 1 32 32 ALA N N 15 121.448 0.4 . 1 . . . . . 32 ALA N . 17017 1 399 . 1 1 33 33 ILE H H 1 7.425 0.05 . 1 . . . . . 33 ILE H . 17017 1 400 . 1 1 33 33 ILE HA H 1 3.946 0.05 . 1 . . . . . 33 ILE HA . 17017 1 401 . 1 1 33 33 ILE HB H 1 1.490 0.05 . 1 . . . . . 33 ILE HB . 17017 1 402 . 1 1 33 33 ILE HD11 H 1 0.669 0.05 . . . . . . . 33 ILE QD1 . 17017 1 403 . 1 1 33 33 ILE HD12 H 1 0.669 0.05 . . . . . . . 33 ILE QD1 . 17017 1 404 . 1 1 33 33 ILE HD13 H 1 0.669 0.05 . . . . . . . 33 ILE QD1 . 17017 1 405 . 1 1 33 33 ILE HG12 H 1 1.402 0.05 . 2 . . . . . 33 ILE HG12 . 17017 1 406 . 1 1 33 33 ILE HG13 H 1 1.099 0.05 . 2 . . . . . 33 ILE HG13 . 17017 1 407 . 1 1 33 33 ILE HG21 H 1 0.432 0.05 . . . . . . . 33 ILE QG2 . 17017 1 408 . 1 1 33 33 ILE HG22 H 1 0.432 0.05 . . . . . . . 33 ILE QG2 . 17017 1 409 . 1 1 33 33 ILE HG23 H 1 0.432 0.05 . . . . . . . 33 ILE QG2 . 17017 1 410 . 1 1 33 33 ILE C C 13 176.212 0.4 . 1 . . . . . 33 ILE C . 17017 1 411 . 1 1 33 33 ILE CA C 13 62.907 0.4 . 1 . . . . . 33 ILE CA . 17017 1 412 . 1 1 33 33 ILE CB C 13 39.488 0.4 . 1 . . . . . 33 ILE CB . 17017 1 413 . 1 1 33 33 ILE CD1 C 13 14.143 0.4 . 1 . . . . . 33 ILE CD1 . 17017 1 414 . 1 1 33 33 ILE CG1 C 13 27.663 0.4 . 1 . . . . . 33 ILE CG1 . 17017 1 415 . 1 1 33 33 ILE CG2 C 13 16.840 0.4 . 1 . . . . . 33 ILE CG2 . 17017 1 416 . 1 1 33 33 ILE N N 15 113.340 0.4 . 1 . . . . . 33 ILE N . 17017 1 417 . 1 1 34 34 THR H H 1 7.970 0.05 . 1 . . . . . 34 THR H . 17017 1 418 . 1 1 34 34 THR HA H 1 4.263 0.05 . 1 . . . . . 34 THR HA . 17017 1 419 . 1 1 34 34 THR HB H 1 3.961 0.05 . 1 . . . . . 34 THR HB . 17017 1 420 . 1 1 34 34 THR HG21 H 1 0.950 0.05 . . . . . . . 34 THR QG2 . 17017 1 421 . 1 1 34 34 THR HG22 H 1 0.950 0.05 . . . . . . . 34 THR QG2 . 17017 1 422 . 1 1 34 34 THR HG23 H 1 0.950 0.05 . . . . . . . 34 THR QG2 . 17017 1 423 . 1 1 34 34 THR C C 13 177.450 0.4 . 1 . . . . . 34 THR C . 17017 1 424 . 1 1 34 34 THR CA C 13 62.552 0.4 . 1 . . . . . 34 THR CA . 17017 1 425 . 1 1 34 34 THR CB C 13 72.606 0.4 . 1 . . . . . 34 THR CB . 17017 1 426 . 1 1 34 34 THR CG2 C 13 21.946 0.4 . 1 . . . . . 34 THR CG2 . 17017 1 427 . 1 1 34 34 THR N N 15 106.748 0.4 . 1 . . . . . 34 THR N . 17017 1 428 . 1 1 35 35 GLY H H 1 8.010 0.05 . 1 . . . . . 35 GLY H . 17017 1 429 . 1 1 35 35 GLY HA2 H 1 4.113 0.05 . 2 . . . . . 35 GLY HA2 . 17017 1 430 . 1 1 35 35 GLY HA3 H 1 3.709 0.05 . 2 . . . . . 35 GLY HA3 . 17017 1 431 . 1 1 35 35 GLY C C 13 179.634 0.4 . 1 . . . . . 35 GLY C . 17017 1 432 . 1 1 35 35 GLY CA C 13 45.588 0.4 . 1 . . . . . 35 GLY CA . 17017 1 433 . 1 1 35 35 GLY N N 15 111.409 0.4 . 1 . . . . . 35 GLY N . 17017 1 434 . 1 1 36 36 ILE H H 1 7.704 0.05 . 1 . . . . . 36 ILE H . 17017 1 435 . 1 1 36 36 ILE HA H 1 3.895 0.05 . 1 . . . . . 36 ILE HA . 17017 1 436 . 1 1 36 36 ILE HB H 1 1.422 0.05 . 1 . . . . . 36 ILE HB . 17017 1 437 . 1 1 36 36 ILE HD11 H 1 0.613 0.05 . . . . . . . 36 ILE QD1 . 17017 1 438 . 1 1 36 36 ILE HD12 H 1 0.613 0.05 . . . . . . . 36 ILE QD1 . 17017 1 439 . 1 1 36 36 ILE HD13 H 1 0.613 0.05 . . . . . . . 36 ILE QD1 . 17017 1 440 . 1 1 36 36 ILE HG12 H 1 1.295 0.05 . 2 . . . . . 36 ILE HG12 . 17017 1 441 . 1 1 36 36 ILE HG13 H 1 0.693 0.05 . 2 . . . . . 36 ILE HG13 . 17017 1 442 . 1 1 36 36 ILE HG21 H 1 0.657 0.05 . . . . . . . 36 ILE QG2 . 17017 1 443 . 1 1 36 36 ILE HG22 H 1 0.657 0.05 . . . . . . . 36 ILE QG2 . 17017 1 444 . 1 1 36 36 ILE HG23 H 1 0.657 0.05 . . . . . . . 36 ILE QG2 . 17017 1 445 . 1 1 36 36 ILE C C 13 178.944 0.4 . 1 . . . . . 36 ILE C . 17017 1 446 . 1 1 36 36 ILE CA C 13 61.051 0.4 . 1 . . . . . 36 ILE CA . 17017 1 447 . 1 1 36 36 ILE CB C 13 37.738 0.4 . 1 . . . . . 36 ILE CB . 17017 1 448 . 1 1 36 36 ILE CD1 C 13 13.305 0.4 . 1 . . . . . 36 ILE CD1 . 17017 1 449 . 1 1 36 36 ILE CG1 C 13 26.846 0.4 . 1 . . . . . 36 ILE CG1 . 17017 1 450 . 1 1 36 36 ILE CG2 C 13 17.984 0.4 . 1 . . . . . 36 ILE CG2 . 17017 1 451 . 1 1 36 36 ILE N N 15 122.294 0.4 . 1 . . . . . 36 ILE N . 17017 1 452 . 1 1 37 37 ALA H H 1 8.558 0.05 . 1 . . . . . 37 ALA H . 17017 1 453 . 1 1 37 37 ALA HA H 1 4.281 0.05 . 1 . . . . . 37 ALA HA . 17017 1 454 . 1 1 37 37 ALA HB1 H 1 1.333 0.05 . . . . . . . 37 ALA QB . 17017 1 455 . 1 1 37 37 ALA HB2 H 1 1.333 0.05 . . . . . . . 37 ALA QB . 17017 1 456 . 1 1 37 37 ALA HB3 H 1 1.333 0.05 . . . . . . . 37 ALA QB . 17017 1 457 . 1 1 37 37 ALA CA C 13 51.414 0.4 . 1 . . . . . 37 ALA CA . 17017 1 458 . 1 1 37 37 ALA CB C 13 17.186 0.4 . 1 . . . . . 37 ALA CB . 17017 1 459 . 1 1 37 37 ALA N N 15 131.748 0.4 . 1 . . . . . 37 ALA N . 17017 1 460 . 1 1 38 38 PRO HA H 1 3.842 0.05 . 1 . . . . . 38 PRO HA . 17017 1 461 . 1 1 38 38 PRO HB2 H 1 1.980 0.05 . 2 . . . . . 38 PRO HB2 . 17017 1 462 . 1 1 38 38 PRO HB3 H 1 1.851 0.05 . 2 . . . . . 38 PRO HB3 . 17017 1 463 . 1 1 38 38 PRO HD2 H 1 3.729 0.05 . 2 . . . . . 38 PRO HD2 . 17017 1 464 . 1 1 38 38 PRO HD3 H 1 3.615 0.05 . 2 . . . . . 38 PRO HD3 . 17017 1 465 . 1 1 38 38 PRO HG2 H 1 2.163 0.05 . 2 . . . . . 38 PRO HG2 . 17017 1 466 . 1 1 38 38 PRO HG3 H 1 1.507 0.05 . 2 . . . . . 38 PRO HG3 . 17017 1 467 . 1 1 38 38 PRO CA C 13 66.652 0.4 . 1 . . . . . 38 PRO CA . 17017 1 468 . 1 1 38 38 PRO CB C 13 32.308 0.4 . 1 . . . . . 38 PRO CB . 17017 1 469 . 1 1 38 38 PRO CD C 13 50.093 0.4 . 1 . . . . . 38 PRO CD . 17017 1 470 . 1 1 38 38 PRO CG C 13 28.080 0.4 . 1 . . . . . 38 PRO CG . 17017 1 471 . 1 1 39 39 GLY H H 1 8.636 0.05 . 1 . . . . . 39 GLY H . 17017 1 472 . 1 1 39 39 GLY HA2 H 1 3.917 0.05 . 2 . . . . . 39 GLY HA2 . 17017 1 473 . 1 1 39 39 GLY HA3 H 1 3.726 0.05 . 2 . . . . . 39 GLY HA3 . 17017 1 474 . 1 1 39 39 GLY C C 13 178.840 0.4 . 1 . . . . . 39 GLY C . 17017 1 475 . 1 1 39 39 GLY CA C 13 45.981 0.4 . 1 . . . . . 39 GLY CA . 17017 1 476 . 1 1 39 39 GLY N N 15 134.786 0.4 . 1 . . . . . 39 GLY N . 17017 1 477 . 1 1 40 40 SER H H 1 8.015 0.05 . 1 . . . . . 40 SER H . 17017 1 478 . 1 1 40 40 SER HA H 1 4.720 0.05 . 1 . . . . . 40 SER HA . 17017 1 479 . 1 1 40 40 SER HB2 H 1 4.101 0.05 . 2 . . . . . 40 SER HB2 . 17017 1 480 . 1 1 40 40 SER HB3 H 1 3.726 0.05 . 2 . . . . . 40 SER HB3 . 17017 1 481 . 1 1 40 40 SER C C 13 180.507 0.4 . 1 . . . . . 40 SER C . 17017 1 482 . 1 1 40 40 SER CA C 13 57.533 0.4 . 1 . . . . . 40 SER CA . 17017 1 483 . 1 1 40 40 SER CB C 13 64.701 0.4 . 1 . . . . . 40 SER CB . 17017 1 484 . 1 1 40 40 SER N N 15 114.155 0.4 . 1 . . . . . 40 SER N . 17017 1 485 . 1 1 41 41 GLN H H 1 7.010 0.05 . 1 . . . . . 41 GLN H . 17017 1 486 . 1 1 41 41 GLN HA H 1 4.059 0.05 . 1 . . . . . 41 GLN HA . 17017 1 487 . 1 1 41 41 GLN HB2 H 1 1.888 0.05 . 2 . . . . . 41 GLN HB2 . 17017 1 488 . 1 1 41 41 GLN HB3 H 1 1.586 0.05 . 2 . . . . . 41 GLN HB3 . 17017 1 489 . 1 1 41 41 GLN HE21 H 1 6.603 0.05 . 2 . . . . . 41 GLN HE21 . 17017 1 490 . 1 1 41 41 GLN HE22 H 1 7.104 0.05 . 2 . . . . . 41 GLN HE22 . 17017 1 491 . 1 1 41 41 GLN HG2 H 1 2.740 0.05 . 2 . . . . . 41 GLN HG2 . 17017 1 492 . 1 1 41 41 GLN HG3 H 1 1.624 0.05 . 2 . . . . . 41 GLN HG3 . 17017 1 493 . 1 1 41 41 GLN C C 13 177.570 0.4 . 1 . . . . . 41 GLN C . 17017 1 494 . 1 1 41 41 GLN CA C 13 56.687 0.4 . 1 . . . . . 41 GLN CA . 17017 1 495 . 1 1 41 41 GLN CB C 13 29.417 0.4 . 1 . . . . . 41 GLN CB . 17017 1 496 . 1 1 41 41 GLN CG C 13 33.519 0.4 . 1 . . . . . 41 GLN CG . 17017 1 497 . 1 1 41 41 GLN N N 15 119.549 0.4 . 1 . . . . . 41 GLN N . 17017 1 498 . 1 1 41 41 GLN NE2 N 15 104.100 0.4 . 1 . . . . . 41 GLN NE2 . 17017 1 499 . 1 1 42 42 ARG H H 1 8.605 0.05 . 1 . . . . . 42 ARG H . 17017 1 500 . 1 1 42 42 ARG HA H 1 4.385 0.05 . 1 . . . . . 42 ARG HA . 17017 1 501 . 1 1 42 42 ARG HB2 H 1 1.615 0.05 . 2 . . . . . 42 ARG HB2 . 17017 1 502 . 1 1 42 42 ARG HB3 H 1 1.532 0.05 . 2 . . . . . 42 ARG HB3 . 17017 1 503 . 1 1 42 42 ARG HD2 H 1 3.193 0.05 . 2 . . . . . 42 ARG HD2 . 17017 1 504 . 1 1 42 42 ARG HD3 H 1 3.160 0.05 . 2 . . . . . 42 ARG HD3 . 17017 1 505 . 1 1 42 42 ARG HG2 H 1 1.573 0.05 . 2 . . . . . 42 ARG HG2 . 17017 1 506 . 1 1 42 42 ARG HG3 H 1 1.301 0.05 . 2 . . . . . 42 ARG HG3 . 17017 1 507 . 1 1 42 42 ARG C C 13 179.184 0.4 . 1 . . . . . 42 ARG C . 17017 1 508 . 1 1 42 42 ARG CA C 13 55.935 0.4 . 1 . . . . . 42 ARG CA . 17017 1 509 . 1 1 42 42 ARG CB C 13 31.757 0.4 . 1 . . . . . 42 ARG CB . 17017 1 510 . 1 1 42 42 ARG CD C 13 43.860 0.4 . 1 . . . . . 42 ARG CD . 17017 1 511 . 1 1 42 42 ARG CG C 13 27.413 0.4 . 1 . . . . . 42 ARG CG . 17017 1 512 . 1 1 42 42 ARG N N 15 123.915 0.4 . 1 . . . . . 42 ARG N . 17017 1 513 . 1 1 43 43 ILE H H 1 8.538 0.05 . 1 . . . . . 43 ILE H . 17017 1 514 . 1 1 43 43 ILE HA H 1 5.014 0.05 . 1 . . . . . 43 ILE HA . 17017 1 515 . 1 1 43 43 ILE HB H 1 1.593 0.05 . 1 . . . . . 43 ILE HB . 17017 1 516 . 1 1 43 43 ILE HD11 H 1 0.789 0.05 . . . . . . . 43 ILE QD1 . 17017 1 517 . 1 1 43 43 ILE HD12 H 1 0.789 0.05 . . . . . . . 43 ILE QD1 . 17017 1 518 . 1 1 43 43 ILE HD13 H 1 0.789 0.05 . . . . . . . 43 ILE QD1 . 17017 1 519 . 1 1 43 43 ILE HG12 H 1 1.612 0.05 . 2 . . . . . 43 ILE HG12 . 17017 1 520 . 1 1 43 43 ILE HG13 H 1 0.844 0.05 . 2 . . . . . 43 ILE HG13 . 17017 1 521 . 1 1 43 43 ILE HG21 H 1 0.730 0.05 . . . . . . . 43 ILE QG2 . 17017 1 522 . 1 1 43 43 ILE HG22 H 1 0.730 0.05 . . . . . . . 43 ILE QG2 . 17017 1 523 . 1 1 43 43 ILE HG23 H 1 0.730 0.05 . . . . . . . 43 ILE QG2 . 17017 1 524 . 1 1 43 43 ILE C C 13 179.376 0.4 . 1 . . . . . 43 ILE C . 17017 1 525 . 1 1 43 43 ILE CA C 13 60.461 0.4 . 1 . . . . . 43 ILE CA . 17017 1 526 . 1 1 43 43 ILE CB C 13 39.842 0.4 . 1 . . . . . 43 ILE CB . 17017 1 527 . 1 1 43 43 ILE CD1 C 13 12.343 0.4 . 1 . . . . . 43 ILE CD1 . 17017 1 528 . 1 1 43 43 ILE CG1 C 13 27.315 0.4 . 1 . . . . . 43 ILE CG1 . 17017 1 529 . 1 1 43 43 ILE CG2 C 13 19.062 0.4 . 1 . . . . . 43 ILE CG2 . 17017 1 530 . 1 1 43 43 ILE N N 15 124.801 0.4 . 1 . . . . . 43 ILE N . 17017 1 531 . 1 1 44 44 LEU H H 1 9.697 0.05 . 1 . . . . . 44 LEU H . 17017 1 532 . 1 1 44 44 LEU HA H 1 5.235 0.05 . 1 . . . . . 44 LEU HA . 17017 1 533 . 1 1 44 44 LEU HB2 H 1 1.613 0.05 . 2 . . . . . 44 LEU HB2 . 17017 1 534 . 1 1 44 44 LEU HB3 H 1 1.297 0.05 . 2 . . . . . 44 LEU HB3 . 17017 1 535 . 1 1 44 44 LEU HD11 H 1 0.634 0.05 . . . . . . . 44 LEU QD1 . 17017 1 536 . 1 1 44 44 LEU HD12 H 1 0.634 0.05 . . . . . . . 44 LEU QD1 . 17017 1 537 . 1 1 44 44 LEU HD13 H 1 0.634 0.05 . . . . . . . 44 LEU QD1 . 17017 1 538 . 1 1 44 44 LEU HD21 H 1 0.694 0.05 . . . . . . . 44 LEU QD2 . 17017 1 539 . 1 1 44 44 LEU HD22 H 1 0.694 0.05 . . . . . . . 44 LEU QD2 . 17017 1 540 . 1 1 44 44 LEU HD23 H 1 0.694 0.05 . . . . . . . 44 LEU QD2 . 17017 1 541 . 1 1 44 44 LEU HG H 1 1.458 0.05 . 1 . . . . . 44 LEU HG . 17017 1 542 . 1 1 44 44 LEU C C 13 177.470 0.4 . 1 . . . . . 44 LEU C . 17017 1 543 . 1 1 44 44 LEU CA C 13 54.055 0.4 . 1 . . . . . 44 LEU CA . 17017 1 544 . 1 1 44 44 LEU CB C 13 44.522 0.4 . 1 . . . . . 44 LEU CB . 17017 1 545 . 1 1 44 44 LEU CD1 C 13 25.861 0.4 . 2 . . . . . 44 LEU CD1 . 17017 1 546 . 1 1 44 44 LEU CD2 C 13 25.213 0.4 . 2 . . . . . 44 LEU CD2 . 17017 1 547 . 1 1 44 44 LEU CG C 13 28.178 0.4 . 1 . . . . . 44 LEU CG . 17017 1 548 . 1 1 44 44 LEU N N 15 128.316 0.4 . 1 . . . . . 44 LEU N . 17017 1 549 . 1 1 45 45 VAL H H 1 8.816 0.05 . 1 . . . . . 45 VAL H . 17017 1 550 . 1 1 45 45 VAL HA H 1 4.828 0.05 . 1 . . . . . 45 VAL HA . 17017 1 551 . 1 1 45 45 VAL HB H 1 2.066 0.05 . 1 . . . . . 45 VAL HB . 17017 1 552 . 1 1 45 45 VAL HG11 H 1 0.846 0.05 . . . . . . . 45 VAL QG1 . 17017 1 553 . 1 1 45 45 VAL HG12 H 1 0.846 0.05 . . . . . . . 45 VAL QG1 . 17017 1 554 . 1 1 45 45 VAL HG13 H 1 0.846 0.05 . . . . . . . 45 VAL QG1 . 17017 1 555 . 1 1 45 45 VAL HG21 H 1 0.865 0.05 . . . . . . . 45 VAL QG2 . 17017 1 556 . 1 1 45 45 VAL HG22 H 1 0.865 0.05 . . . . . . . 45 VAL QG2 . 17017 1 557 . 1 1 45 45 VAL HG23 H 1 0.865 0.05 . . . . . . . 45 VAL QG2 . 17017 1 558 . 1 1 45 45 VAL C C 13 177.804 0.4 . 1 . . . . . 45 VAL C . 17017 1 559 . 1 1 45 45 VAL CA C 13 59.778 0.4 . 1 . . . . . 45 VAL CA . 17017 1 560 . 1 1 45 45 VAL CB C 13 35.707 0.4 . 1 . . . . . 45 VAL CB . 17017 1 561 . 1 1 45 45 VAL CG1 C 13 21.639 0.4 . 2 . . . . . 45 VAL CG1 . 17017 1 562 . 1 1 45 45 VAL CG2 C 13 20.585 0.4 . 2 . . . . . 45 VAL CG2 . 17017 1 563 . 1 1 45 45 VAL N N 15 115.810 0.4 . 1 . . . . . 45 VAL N . 17017 1 564 . 1 1 46 46 GLY H H 1 8.553 0.05 . 1 . . . . . 46 GLY H . 17017 1 565 . 1 1 46 46 GLY HA2 H 1 4.219 0.05 . 2 . . . . . 46 GLY HA2 . 17017 1 566 . 1 1 46 46 GLY HA3 H 1 3.723 0.05 . 2 . . . . . 46 GLY HA3 . 17017 1 567 . 1 1 46 46 GLY C C 13 180.983 0.4 . 1 . . . . . 46 GLY C . 17017 1 568 . 1 1 46 46 GLY CA C 13 44.267 0.4 . 1 . . . . . 46 GLY CA . 17017 1 569 . 1 1 46 46 GLY N N 15 111.686 0.4 . 1 . . . . . 46 GLY N . 17017 1 570 . 1 1 47 47 TYR H H 1 7.910 0.05 . 1 . . . . . 47 TYR H . 17017 1 571 . 1 1 47 47 TYR HA H 1 4.308 0.05 . 1 . . . . . 47 TYR HA . 17017 1 572 . 1 1 47 47 TYR HB2 H 1 2.805 0.05 . 2 . . . . . 47 TYR QB . 17017 1 573 . 1 1 47 47 TYR HB3 H 1 2.805 0.05 . 2 . . . . . 47 TYR QB . 17017 1 574 . 1 1 47 47 TYR HD1 H 1 7.091 0.05 . 3 . . . . . 47 TYR QD . 17017 1 575 . 1 1 47 47 TYR HD2 H 1 7.091 0.05 . 3 . . . . . 47 TYR QD . 17017 1 576 . 1 1 47 47 TYR HE1 H 1 6.818 0.05 . 3 . . . . . 47 TYR QE . 17017 1 577 . 1 1 47 47 TYR HE2 H 1 6.818 0.05 . 3 . . . . . 47 TYR QE . 17017 1 578 . 1 1 47 47 TYR CA C 13 56.271 0.4 . 1 . . . . . 47 TYR CA . 17017 1 579 . 1 1 47 47 TYR CB C 13 40.961 0.4 . 1 . . . . . 47 TYR CB . 17017 1 580 . 1 1 47 47 TYR CD1 C 13 133.109 0.4 . 3 . . . . . 47 TYR CD1 . 17017 1 581 . 1 1 47 47 TYR CE1 C 13 118.276 0.4 . 3 . . . . . 47 TYR CE1 . 17017 1 582 . 1 1 47 47 TYR N N 15 116.414 0.4 . 1 . . . . . 47 TYR N . 17017 1 583 . 1 1 48 48 PRO HA H 1 3.956 0.05 . 1 . . . . . 48 PRO HA . 17017 1 584 . 1 1 48 48 PRO HB2 H 1 2.078 0.05 . 2 . . . . . 48 PRO HB2 . 17017 1 585 . 1 1 48 48 PRO HB3 H 1 1.757 0.05 . 2 . . . . . 48 PRO HB3 . 17017 1 586 . 1 1 48 48 PRO HD2 H 1 3.400 0.05 . 2 . . . . . 48 PRO HD2 . 17017 1 587 . 1 1 48 48 PRO HD3 H 1 3.322 0.05 . 2 . . . . . 48 PRO HD3 . 17017 1 588 . 1 1 48 48 PRO HG2 H 1 1.801 0.05 . 2 . . . . . 48 PRO HG2 . 17017 1 589 . 1 1 48 48 PRO HG3 H 1 1.565 0.05 . 2 . . . . . 48 PRO HG3 . 17017 1 590 . 1 1 48 48 PRO CA C 13 61.700 0.4 . 1 . . . . . 48 PRO CA . 17017 1 591 . 1 1 48 48 PRO CB C 13 32.365 0.4 . 1 . . . . . 48 PRO CB . 17017 1 592 . 1 1 48 48 PRO CD C 13 49.874 0.4 . 1 . . . . . 48 PRO CD . 17017 1 593 . 1 1 48 48 PRO CG C 13 25.432 0.4 . 1 . . . . . 48 PRO CG . 17017 1 594 . 1 1 49 49 PRO HA H 1 4.087 0.05 . 1 . . . . . 49 PRO HA . 17017 1 595 . 1 1 49 49 PRO HB2 H 1 1.991 0.05 . 2 . . . . . 49 PRO HB2 . 17017 1 596 . 1 1 49 49 PRO HB3 H 1 1.672 0.05 . 2 . . . . . 49 PRO HB3 . 17017 1 597 . 1 1 49 49 PRO HD2 H 1 3.532 0.05 . 2 . . . . . 49 PRO HD2 . 17017 1 598 . 1 1 49 49 PRO HD3 H 1 3.415 0.05 . 2 . . . . . 49 PRO HD3 . 17017 1 599 . 1 1 49 49 PRO HG2 H 1 1.995 0.05 . 2 . . . . . 49 PRO QG . 17017 1 600 . 1 1 49 49 PRO HG3 H 1 1.995 0.05 . 2 . . . . . 49 PRO QG . 17017 1 601 . 1 1 49 49 PRO C C 13 176.379 0.4 . 1 . . . . . 49 PRO C . 17017 1 602 . 1 1 49 49 PRO CA C 13 63.484 0.4 . 1 . . . . . 49 PRO CA . 17017 1 603 . 1 1 49 49 PRO CB C 13 32.348 0.4 . 1 . . . . . 49 PRO CB . 17017 1 604 . 1 1 49 49 PRO CD C 13 50.163 0.4 . 1 . . . . . 49 PRO CD . 17017 1 605 . 1 1 49 49 PRO CG C 13 27.228 0.4 . 1 . . . . . 49 PRO CG . 17017 1 606 . 1 1 50 50 GLU H H 1 8.670 0.05 . 1 . . . . . 50 GLU H . 17017 1 607 . 1 1 50 50 GLU HA H 1 4.625 0.05 . 1 . . . . . 50 GLU HA . 17017 1 608 . 1 1 50 50 GLU HB2 H 1 1.967 0.05 . 2 . . . . . 50 GLU HB2 . 17017 1 609 . 1 1 50 50 GLU HB3 H 1 1.824 0.05 . 2 . . . . . 50 GLU HB3 . 17017 1 610 . 1 1 50 50 GLU HG2 H 1 2.162 0.05 . 2 . . . . . 50 GLU QG . 17017 1 611 . 1 1 50 50 GLU HG3 H 1 2.162 0.05 . 2 . . . . . 50 GLU QG . 17017 1 612 . 1 1 50 50 GLU C C 13 177.808 0.4 . 1 . . . . . 50 GLU C . 17017 1 613 . 1 1 50 50 GLU CA C 13 54.797 0.4 . 1 . . . . . 50 GLU CA . 17017 1 614 . 1 1 50 50 GLU CB C 13 33.379 0.4 . 1 . . . . . 50 GLU CB . 17017 1 615 . 1 1 50 50 GLU CG C 13 36.124 0.4 . 1 . . . . . 50 GLU CG . 17017 1 616 . 1 1 50 50 GLU N N 15 122.856 0.4 . 1 . . . . . 50 GLU N . 17017 1 617 . 1 1 51 51 CYS H H 1 8.850 0.05 . 1 . . . . . 51 CYS H . 17017 1 618 . 1 1 51 51 CYS HA H 1 4.621 0.05 . 1 . . . . . 51 CYS HA . 17017 1 619 . 1 1 51 51 CYS HB2 H 1 2.856 0.05 . 2 . . . . . 51 CYS HB2 . 17017 1 620 . 1 1 51 51 CYS HB3 H 1 2.743 0.05 . 2 . . . . . 51 CYS HB3 . 17017 1 621 . 1 1 51 51 CYS C C 13 177.450 0.4 . 1 . . . . . 51 CYS C . 17017 1 622 . 1 1 51 51 CYS CA C 13 59.778 0.4 . 1 . . . . . 51 CYS CA . 17017 1 623 . 1 1 51 51 CYS CB C 13 27.182 0.4 . 1 . . . . . 51 CYS CB . 17017 1 624 . 1 1 51 51 CYS N N 15 121.475 0.4 . 1 . . . . . 51 CYS N . 17017 1 625 . 1 1 52 52 LEU H H 1 8.860 0.05 . 1 . . . . . 52 LEU H . 17017 1 626 . 1 1 52 52 LEU HA H 1 4.199 0.05 . 1 . . . . . 52 LEU HA . 17017 1 627 . 1 1 52 52 LEU HB2 H 1 1.395 0.05 . 2 . . . . . 52 LEU HB2 . 17017 1 628 . 1 1 52 52 LEU HB3 H 1 1.377 0.05 . 2 . . . . . 52 LEU HB3 . 17017 1 629 . 1 1 52 52 LEU HD11 H 1 0.798 0.05 . . . . . . . 52 LEU QD1 . 17017 1 630 . 1 1 52 52 LEU HD12 H 1 0.798 0.05 . . . . . . . 52 LEU QD1 . 17017 1 631 . 1 1 52 52 LEU HD13 H 1 0.798 0.05 . . . . . . . 52 LEU QD1 . 17017 1 632 . 1 1 52 52 LEU HD21 H 1 0.741 0.05 . . . . . . . 52 LEU QD2 . 17017 1 633 . 1 1 52 52 LEU HD22 H 1 0.741 0.05 . . . . . . . 52 LEU QD2 . 17017 1 634 . 1 1 52 52 LEU HD23 H 1 0.741 0.05 . . . . . . . 52 LEU QD2 . 17017 1 635 . 1 1 52 52 LEU HG H 1 1.589 0.05 . 1 . . . . . 52 LEU HG . 17017 1 636 . 1 1 52 52 LEU C C 13 177.146 0.4 . 1 . . . . . 52 LEU C . 17017 1 637 . 1 1 52 52 LEU CA C 13 54.279 0.4 . 1 . . . . . 52 LEU CA . 17017 1 638 . 1 1 52 52 LEU CB C 13 43.730 0.4 . 1 . . . . . 52 LEU CB . 17017 1 639 . 1 1 52 52 LEU CD1 C 13 25.102 0.4 . 2 . . . . . 52 LEU CD1 . 17017 1 640 . 1 1 52 52 LEU CD2 C 13 25.063 0.4 . 2 . . . . . 52 LEU CD2 . 17017 1 641 . 1 1 52 52 LEU CG C 13 26.796 0.4 . 1 . . . . . 52 LEU CG . 17017 1 642 . 1 1 52 52 LEU N N 15 127.548 0.4 . 1 . . . . . 52 LEU N . 17017 1 643 . 1 1 53 53 ASP H H 1 8.878 0.05 . 1 . . . . . 53 ASP H . 17017 1 644 . 1 1 53 53 ASP HA H 1 4.391 0.05 . 1 . . . . . 53 ASP HA . 17017 1 645 . 1 1 53 53 ASP HB2 H 1 2.849 0.05 . 2 . . . . . 53 ASP HB2 . 17017 1 646 . 1 1 53 53 ASP HB3 H 1 2.625 0.05 . 2 . . . . . 53 ASP HB3 . 17017 1 647 . 1 1 53 53 ASP C C 13 177.293 0.4 . 1 . . . . . 53 ASP C . 17017 1 648 . 1 1 53 53 ASP CA C 13 54.165 0.4 . 1 . . . . . 53 ASP CA . 17017 1 649 . 1 1 53 53 ASP CB C 13 40.561 0.4 . 1 . . . . . 53 ASP CB . 17017 1 650 . 1 1 53 53 ASP N N 15 124.678 0.4 . 1 . . . . . 53 ASP N . 17017 1 651 . 1 1 54 54 LEU H H 1 8.417 0.05 . 1 . . . . . 54 LEU H . 17017 1 652 . 1 1 54 54 LEU HA H 1 4.354 0.05 . 1 . . . . . 54 LEU HA . 17017 1 653 . 1 1 54 54 LEU HB2 H 1 1.597 0.05 . 2 . . . . . 54 LEU QB . 17017 1 654 . 1 1 54 54 LEU HB3 H 1 1.597 0.05 . 2 . . . . . 54 LEU QB . 17017 1 655 . 1 1 54 54 LEU HD11 H 1 0.919 0.05 . . . . . . . 54 LEU QD1 . 17017 1 656 . 1 1 54 54 LEU HD12 H 1 0.919 0.05 . . . . . . . 54 LEU QD1 . 17017 1 657 . 1 1 54 54 LEU HD13 H 1 0.919 0.05 . . . . . . . 54 LEU QD1 . 17017 1 658 . 1 1 54 54 LEU HD21 H 1 0.619 0.05 . . . . . . . 54 LEU QD2 . 17017 1 659 . 1 1 54 54 LEU HD22 H 1 0.619 0.05 . . . . . . . 54 LEU QD2 . 17017 1 660 . 1 1 54 54 LEU HD23 H 1 0.619 0.05 . . . . . . . 54 LEU QD2 . 17017 1 661 . 1 1 54 54 LEU HG H 1 1.784 0.05 . 1 . . . . . 54 LEU HG . 17017 1 662 . 1 1 54 54 LEU C C 13 175.400 0.4 . 1 . . . . . 54 LEU C . 17017 1 663 . 1 1 54 54 LEU CA C 13 53.268 0.4 . 1 . . . . . 54 LEU CA . 17017 1 664 . 1 1 54 54 LEU CB C 13 40.294 0.4 . 1 . . . . . 54 LEU CB . 17017 1 665 . 1 1 54 54 LEU CD1 C 13 26.209 0.4 . 2 . . . . . 54 LEU CD1 . 17017 1 666 . 1 1 54 54 LEU CD2 C 13 23.545 0.4 . 2 . . . . . 54 LEU CD2 . 17017 1 667 . 1 1 54 54 LEU CG C 13 26.296 0.4 . 1 . . . . . 54 LEU CG . 17017 1 668 . 1 1 54 54 LEU N N 15 126.682 0.4 . 1 . . . . . 54 LEU N . 17017 1 669 . 1 1 55 55 SER H H 1 8.351 0.05 . 1 . . . . . 55 SER H . 17017 1 670 . 1 1 55 55 SER HA H 1 3.939 0.05 . 1 . . . . . 55 SER HA . 17017 1 671 . 1 1 55 55 SER HB2 H 1 3.830 0.05 . 2 . . . . . 55 SER QB . 17017 1 672 . 1 1 55 55 SER HB3 H 1 3.830 0.05 . 2 . . . . . 55 SER QB . 17017 1 673 . 1 1 55 55 SER C C 13 178.919 0.4 . 1 . . . . . 55 SER C . 17017 1 674 . 1 1 55 55 SER CA C 13 61.608 0.4 . 1 . . . . . 55 SER CA . 17017 1 675 . 1 1 55 55 SER CB C 13 63.716 0.4 . 1 . . . . . 55 SER CB . 17017 1 676 . 1 1 55 55 SER N N 15 115.391 0.4 . 1 . . . . . 55 SER N . 17017 1 677 . 1 1 56 56 ASP H H 1 8.122 0.05 . 1 . . . . . 56 ASP H . 17017 1 678 . 1 1 56 56 ASP HA H 1 4.860 0.05 . 1 . . . . . 56 ASP HA . 17017 1 679 . 1 1 56 56 ASP HB2 H 1 2.768 0.05 . 2 . . . . . 56 ASP HB2 . 17017 1 680 . 1 1 56 56 ASP HB3 H 1 2.395 0.05 . 2 . . . . . 56 ASP HB3 . 17017 1 681 . 1 1 56 56 ASP CA C 13 52.272 0.4 . 1 . . . . . 56 ASP CA . 17017 1 682 . 1 1 56 56 ASP CB C 13 41.290 0.4 . 1 . . . . . 56 ASP CB . 17017 1 683 . 1 1 56 56 ASP N N 15 121.542 0.4 . 1 . . . . . 56 ASP N . 17017 1 684 . 1 1 57 57 ARG H H 1 8.657 0.05 . 1 . . . . . 57 ARG H . 17017 1 685 . 1 1 57 57 ARG HA H 1 4.047 0.05 . 1 . . . . . 57 ARG HA . 17017 1 686 . 1 1 57 57 ARG HB2 H 1 1.854 0.05 . 2 . . . . . 57 ARG HB2 . 17017 1 687 . 1 1 57 57 ARG HB3 H 1 1.699 0.05 . 2 . . . . . 57 ARG HB3 . 17017 1 688 . 1 1 57 57 ARG HD2 H 1 3.197 0.05 . 2 . . . . . 57 ARG HD2 . 17017 1 689 . 1 1 57 57 ARG HD3 H 1 3.136 0.05 . 2 . . . . . 57 ARG HD3 . 17017 1 690 . 1 1 57 57 ARG HG2 H 1 1.693 0.05 . 2 . . . . . 57 ARG HG2 . 17017 1 691 . 1 1 57 57 ARG HG3 H 1 1.625 0.05 . 2 . . . . . 57 ARG HG3 . 17017 1 692 . 1 1 57 57 ARG C C 13 177.967 0.4 . 1 . . . . . 57 ARG C . 17017 1 693 . 1 1 57 57 ARG CA C 13 57.994 0.4 . 1 . . . . . 57 ARG CA . 17017 1 694 . 1 1 57 57 ARG CB C 13 30.460 0.4 . 1 . . . . . 57 ARG CB . 17017 1 695 . 1 1 57 57 ARG CD C 13 44.186 0.4 . 1 . . . . . 57 ARG CD . 17017 1 696 . 1 1 57 57 ARG CG C 13 27.657 0.4 . 1 . . . . . 57 ARG CG . 17017 1 697 . 1 1 57 57 ARG N N 15 122.910 0.4 . 1 . . . . . 57 ARG N . 17017 1 698 . 1 1 58 58 ASP H H 1 8.311 0.05 . 1 . . . . . 58 ASP H . 17017 1 699 . 1 1 58 58 ASP HA H 1 4.901 0.05 . 1 . . . . . 58 ASP HA . 17017 1 700 . 1 1 58 58 ASP HB2 H 1 2.806 0.05 . 2 . . . . . 58 ASP HB2 . 17017 1 701 . 1 1 58 58 ASP HB3 H 1 2.562 0.05 . 2 . . . . . 58 ASP HB3 . 17017 1 702 . 1 1 58 58 ASP C C 13 177.745 0.4 . 1 . . . . . 58 ASP C . 17017 1 703 . 1 1 58 58 ASP CA C 13 54.651 0.4 . 1 . . . . . 58 ASP CA . 17017 1 704 . 1 1 58 58 ASP CB C 13 42.029 0.4 . 1 . . . . . 58 ASP CB . 17017 1 705 . 1 1 58 58 ASP N N 15 117.546 0.4 . 1 . . . . . 58 ASP N . 17017 1 706 . 1 1 59 59 ILE H H 1 6.823 0.05 . 1 . . . . . 59 ILE H . 17017 1 707 . 1 1 59 59 ILE HA H 1 4.148 0.05 . 1 . . . . . 59 ILE HA . 17017 1 708 . 1 1 59 59 ILE HB H 1 1.754 0.05 . 1 . . . . . 59 ILE HB . 17017 1 709 . 1 1 59 59 ILE HD11 H 1 0.921 0.05 . . . . . . . 59 ILE QD1 . 17017 1 710 . 1 1 59 59 ILE HD12 H 1 0.921 0.05 . . . . . . . 59 ILE QD1 . 17017 1 711 . 1 1 59 59 ILE HD13 H 1 0.921 0.05 . . . . . . . 59 ILE QD1 . 17017 1 712 . 1 1 59 59 ILE HG12 H 1 1.658 0.05 . 2 . . . . . 59 ILE HG12 . 17017 1 713 . 1 1 59 59 ILE HG13 H 1 1.536 0.05 . 2 . . . . . 59 ILE HG13 . 17017 1 714 . 1 1 59 59 ILE HG21 H 1 0.951 0.05 . . . . . . . 59 ILE QG2 . 17017 1 715 . 1 1 59 59 ILE HG22 H 1 0.951 0.05 . . . . . . . 59 ILE QG2 . 17017 1 716 . 1 1 59 59 ILE HG23 H 1 0.951 0.05 . . . . . . . 59 ILE QG2 . 17017 1 717 . 1 1 59 59 ILE C C 13 179.607 0.4 . 1 . . . . . 59 ILE C . 17017 1 718 . 1 1 59 59 ILE CA C 13 61.492 0.4 . 1 . . . . . 59 ILE CA . 17017 1 719 . 1 1 59 59 ILE CB C 13 39.043 0.4 . 1 . . . . . 59 ILE CB . 17017 1 720 . 1 1 59 59 ILE CD1 C 13 14.162 0.4 . 1 . . . . . 59 ILE CD1 . 17017 1 721 . 1 1 59 59 ILE CG1 C 13 29.174 0.4 . 1 . . . . . 59 ILE CG1 . 17017 1 722 . 1 1 59 59 ILE CG2 C 13 18.170 0.4 . 1 . . . . . 59 ILE CG2 . 17017 1 723 . 1 1 59 59 ILE N N 15 121.385 0.4 . 1 . . . . . 59 ILE N . 17017 1 724 . 1 1 60 60 THR H H 1 8.252 0.05 . 1 . . . . . 60 THR H . 17017 1 725 . 1 1 60 60 THR HA H 1 5.084 0.05 . 1 . . . . . 60 THR HA . 17017 1 726 . 1 1 60 60 THR HB H 1 4.567 0.05 . 1 . . . . . 60 THR HB . 17017 1 727 . 1 1 60 60 THR HG21 H 1 1.090 0.05 . . . . . . . 60 THR QG2 . 17017 1 728 . 1 1 60 60 THR HG22 H 1 1.090 0.05 . . . . . . . 60 THR QG2 . 17017 1 729 . 1 1 60 60 THR HG23 H 1 1.090 0.05 . . . . . . . 60 THR QG2 . 17017 1 730 . 1 1 60 60 THR C C 13 176.511 0.4 . 1 . . . . . 60 THR C . 17017 1 731 . 1 1 60 60 THR CA C 13 60.241 0.4 . 1 . . . . . 60 THR CA . 17017 1 732 . 1 1 60 60 THR CB C 13 71.292 0.4 . 1 . . . . . 60 THR CB . 17017 1 733 . 1 1 60 60 THR CG2 C 13 22.294 0.4 . 1 . . . . . 60 THR CG2 . 17017 1 734 . 1 1 60 60 THR N N 15 114.451 0.4 . 1 . . . . . 60 THR N . 17017 1 735 . 1 1 61 61 LEU H H 1 8.521 0.05 . 1 . . . . . 61 LEU H . 17017 1 736 . 1 1 61 61 LEU HA H 1 3.820 0.05 . 1 . . . . . 61 LEU HA . 17017 1 737 . 1 1 61 61 LEU HB2 H 1 1.560 0.05 . 2 . . . . . 61 LEU HB2 . 17017 1 738 . 1 1 61 61 LEU HB3 H 1 1.355 0.05 . 2 . . . . . 61 LEU HB3 . 17017 1 739 . 1 1 61 61 LEU HD11 H 1 0.717 0.05 . . . . . . . 61 LEU QD1 . 17017 1 740 . 1 1 61 61 LEU HD12 H 1 0.717 0.05 . . . . . . . 61 LEU QD1 . 17017 1 741 . 1 1 61 61 LEU HD13 H 1 0.717 0.05 . . . . . . . 61 LEU QD1 . 17017 1 742 . 1 1 61 61 LEU HD21 H 1 0.591 0.05 . . . . . . . 61 LEU QD2 . 17017 1 743 . 1 1 61 61 LEU HD22 H 1 0.591 0.05 . . . . . . . 61 LEU QD2 . 17017 1 744 . 1 1 61 61 LEU HD23 H 1 0.591 0.05 . . . . . . . 61 LEU QD2 . 17017 1 745 . 1 1 61 61 LEU HG H 1 1.739 0.05 . 1 . . . . . 61 LEU HG . 17017 1 746 . 1 1 61 61 LEU CA C 13 58.017 0.4 . 1 . . . . . 61 LEU CA . 17017 1 747 . 1 1 61 61 LEU CB C 13 39.715 0.4 . 1 . . . . . 61 LEU CB . 17017 1 748 . 1 1 61 61 LEU CD1 C 13 25.195 0.4 . 2 . . . . . 61 LEU CD1 . 17017 1 749 . 1 1 61 61 LEU CD2 C 13 22.983 0.4 . 2 . . . . . 61 LEU CD2 . 17017 1 750 . 1 1 61 61 LEU CG C 13 27.025 0.4 . 1 . . . . . 61 LEU CG . 17017 1 751 . 1 1 61 61 LEU N N 15 118.136 0.4 . 1 . . . . . 61 LEU N . 17017 1 752 . 1 1 62 62 GLY H H 1 8.676 0.05 . 1 . . . . . 62 GLY H . 17017 1 753 . 1 1 62 62 GLY HA2 H 1 4.158 0.05 . 2 . . . . . 62 GLY HA2 . 17017 1 754 . 1 1 62 62 GLY HA3 H 1 3.901 0.05 . 2 . . . . . 62 GLY HA3 . 17017 1 755 . 1 1 62 62 GLY C C 13 178.681 0.4 . 1 . . . . . 62 GLY C . 17017 1 756 . 1 1 62 62 GLY CA C 13 46.341 0.4 . 1 . . . . . 62 GLY CA . 17017 1 757 . 1 1 62 62 GLY N N 15 103.418 0.4 . 1 . . . . . 62 GLY N . 17017 1 758 . 1 1 63 63 ASP H H 1 7.630 0.05 . 1 . . . . . 63 ASP H . 17017 1 759 . 1 1 63 63 ASP HA H 1 4.864 0.05 . 1 . . . . . 63 ASP HA . 17017 1 760 . 1 1 63 63 ASP HB2 H 1 2.942 0.05 . 2 . . . . . 63 ASP HB2 . 17017 1 761 . 1 1 63 63 ASP HB3 H 1 2.718 0.05 . 2 . . . . . 63 ASP HB3 . 17017 1 762 . 1 1 63 63 ASP C C 13 177.781 0.4 . 1 . . . . . 63 ASP C . 17017 1 763 . 1 1 63 63 ASP CA C 13 54.553 0.4 . 1 . . . . . 63 ASP CA . 17017 1 764 . 1 1 63 63 ASP CB C 13 42.113 0.4 . 1 . . . . . 63 ASP CB . 17017 1 765 . 1 1 63 63 ASP N N 15 119.158 0.4 . 1 . . . . . 63 ASP N . 17017 1 766 . 1 1 64 64 LEU H H 1 7.795 0.05 . 1 . . . . . 64 LEU H . 17017 1 767 . 1 1 64 64 LEU HA H 1 4.777 0.05 . 1 . . . . . 64 LEU HA . 17017 1 768 . 1 1 64 64 LEU HB2 H 1 1.984 0.05 . 2 . . . . . 64 LEU HB2 . 17017 1 769 . 1 1 64 64 LEU HB3 H 1 1.240 0.05 . 2 . . . . . 64 LEU HB3 . 17017 1 770 . 1 1 64 64 LEU HD11 H 1 0.763 0.05 . . . . . . . 64 LEU QD1 . 17017 1 771 . 1 1 64 64 LEU HD12 H 1 0.763 0.05 . . . . . . . 64 LEU QD1 . 17017 1 772 . 1 1 64 64 LEU HD13 H 1 0.763 0.05 . . . . . . . 64 LEU QD1 . 17017 1 773 . 1 1 64 64 LEU HD21 H 1 1.042 0.05 . . . . . . . 64 LEU QD2 . 17017 1 774 . 1 1 64 64 LEU HD22 H 1 1.042 0.05 . . . . . . . 64 LEU QD2 . 17017 1 775 . 1 1 64 64 LEU HD23 H 1 1.042 0.05 . . . . . . . 64 LEU QD2 . 17017 1 776 . 1 1 64 64 LEU CA C 13 52.493 0.4 . 1 . . . . . 64 LEU CA . 17017 1 777 . 1 1 64 64 LEU CB C 13 44.267 0.4 . 1 . . . . . 64 LEU CB . 17017 1 778 . 1 1 64 64 LEU CD1 C 13 26.671 0.4 . 2 . . . . . 64 LEU CD1 . 17017 1 779 . 1 1 64 64 LEU CD2 C 13 22.841 0.4 . 2 . . . . . 64 LEU CD2 . 17017 1 780 . 1 1 64 64 LEU N N 15 122.155 0.4 . 1 . . . . . 64 LEU N . 17017 1 781 . 1 1 66 66 ILE H H 1 8.027 0.05 . 1 . . . . . 66 ILE H . 17017 1 782 . 1 1 66 66 ILE HA H 1 4.307 0.05 . 1 . . . . . 66 ILE HA . 17017 1 783 . 1 1 66 66 ILE HB H 1 1.550 0.05 . 1 . . . . . 66 ILE HB . 17017 1 784 . 1 1 66 66 ILE HD11 H 1 0.771 0.05 . . . . . . . 66 ILE QD1 . 17017 1 785 . 1 1 66 66 ILE HD12 H 1 0.771 0.05 . . . . . . . 66 ILE QD1 . 17017 1 786 . 1 1 66 66 ILE HD13 H 1 0.771 0.05 . . . . . . . 66 ILE QD1 . 17017 1 787 . 1 1 66 66 ILE HG12 H 1 0.918 0.05 . . . . . . . 66 ILE QG1 . 17017 1 788 . 1 1 66 66 ILE HG13 H 1 0.918 0.05 . . . . . . . 66 ILE QG1 . 17017 1 789 . 1 1 66 66 ILE HG21 H 1 0.852 0.05 . . . . . . . 66 ILE QG2 . 17017 1 790 . 1 1 66 66 ILE HG22 H 1 0.852 0.05 . . . . . . . 66 ILE QG2 . 17017 1 791 . 1 1 66 66 ILE HG23 H 1 0.852 0.05 . . . . . . . 66 ILE QG2 . 17017 1 792 . 1 1 66 66 ILE C C 13 178.205 0.4 . 1 . . . . . 66 ILE C . 17017 1 793 . 1 1 66 66 ILE CA C 13 60.253 0.4 . 1 . . . . . 66 ILE CA . 17017 1 794 . 1 1 66 66 ILE CB C 13 42.194 0.4 . 1 . . . . . 66 ILE CB . 17017 1 795 . 1 1 66 66 ILE CD1 C 13 14.463 0.4 . 1 . . . . . 66 ILE CD1 . 17017 1 796 . 1 1 66 66 ILE CG1 C 13 26.904 0.4 . 1 . . . . . 66 ILE CG1 . 17017 1 797 . 1 1 66 66 ILE CG2 C 13 17.452 0.4 . 1 . . . . . 66 ILE CG2 . 17017 1 798 . 1 1 66 66 ILE N N 15 120.176 0.4 . 1 . . . . . 66 ILE N . 17017 1 799 . 1 1 67 67 GLN H H 1 8.725 0.05 . 1 . . . . . 67 GLN H . 17017 1 800 . 1 1 67 67 GLN HA H 1 3.856 0.05 . 1 . . . . . 67 GLN HA . 17017 1 801 . 1 1 67 67 GLN HB2 H 1 1.735 0.05 . 2 . . . . . 67 GLN HB2 . 17017 1 802 . 1 1 67 67 GLN HB3 H 1 1.590 0.05 . 2 . . . . . 67 GLN HB3 . 17017 1 803 . 1 1 67 67 GLN HE21 H 1 6.630 0.05 . 2 . . . . . 67 GLN HE21 . 17017 1 804 . 1 1 67 67 GLN HE22 H 1 7.610 0.05 . 2 . . . . . 67 GLN HE22 . 17017 1 805 . 1 1 67 67 GLN HG2 H 1 2.126 0.05 . 2 . . . . . 67 GLN HG2 . 17017 1 806 . 1 1 67 67 GLN HG3 H 1 2.054 0.05 . 2 . . . . . 67 GLN HG3 . 17017 1 807 . 1 1 67 67 GLN C C 13 179.105 0.4 . 1 . . . . . 67 GLN C . 17017 1 808 . 1 1 67 67 GLN CA C 13 53.117 0.4 . 1 . . . . . 67 GLN CA . 17017 1 809 . 1 1 67 67 GLN CB C 13 32.163 0.4 . 1 . . . . . 67 GLN CB . 17017 1 810 . 1 1 67 67 GLN CG C 13 33.240 0.4 . 1 . . . . . 67 GLN CG . 17017 1 811 . 1 1 67 67 GLN N N 15 123.262 0.4 . 1 . . . . . 67 GLN N . 17017 1 812 . 1 1 67 67 GLN NE2 N 15 112.747 0.4 . 1 . . . . . 67 GLN NE2 . 17017 1 813 . 1 1 68 68 SER H H 1 7.198 0.05 . 1 . . . . . 68 SER H . 17017 1 814 . 1 1 68 68 SER HA H 1 3.504 0.05 . 1 . . . . . 68 SER HA . 17017 1 815 . 1 1 68 68 SER HB2 H 1 3.342 0.05 . 2 . . . . . 68 SER HB2 . 17017 1 816 . 1 1 68 68 SER HB3 H 1 2.824 0.05 . 2 . . . . . 68 SER HB3 . 17017 1 817 . 1 1 68 68 SER C C 13 177.234 0.4 . 1 . . . . . 68 SER C . 17017 1 818 . 1 1 68 68 SER CA C 13 60.121 0.4 . 1 . . . . . 68 SER CA . 17017 1 819 . 1 1 68 68 SER CB C 13 62.326 0.4 . 1 . . . . . 68 SER CB . 17017 1 820 . 1 1 68 68 SER N N 15 112.060 0.4 . 1 . . . . . 68 SER N . 17017 1 821 . 1 1 69 69 GLY H H 1 9.109 0.05 . 1 . . . . . 69 GLY H . 17017 1 822 . 1 1 69 69 GLY HA2 H 1 4.287 0.05 . 2 . . . . . 69 GLY HA2 . 17017 1 823 . 1 1 69 69 GLY HA3 H 1 3.610 0.05 . 2 . . . . . 69 GLY HA3 . 17017 1 824 . 1 1 69 69 GLY C C 13 178.655 0.4 . 1 . . . . . 69 GLY C . 17017 1 825 . 1 1 69 69 GLY CA C 13 44.684 0.4 . 1 . . . . . 69 GLY CA . 17017 1 826 . 1 1 69 69 GLY N N 15 115.974 0.4 . 1 . . . . . 69 GLY N . 17017 1 827 . 1 1 70 70 ASP H H 1 7.727 0.05 . 1 . . . . . 70 ASP H . 17017 1 828 . 1 1 70 70 ASP HA H 1 4.600 0.05 . 1 . . . . . 70 ASP HA . 17017 1 829 . 1 1 70 70 ASP HB2 H 1 2.858 0.05 . 2 . . . . . 70 ASP HB2 . 17017 1 830 . 1 1 70 70 ASP HB3 H 1 2.453 0.05 . 2 . . . . . 70 ASP HB3 . 17017 1 831 . 1 1 70 70 ASP C C 13 178.972 0.4 . 1 . . . . . 70 ASP C . 17017 1 832 . 1 1 70 70 ASP CA C 13 54.658 0.4 . 1 . . . . . 70 ASP CA . 17017 1 833 . 1 1 70 70 ASP CB C 13 42.344 0.4 . 1 . . . . . 70 ASP CB . 17017 1 834 . 1 1 70 70 ASP N N 15 121.369 0.4 . 1 . . . . . 70 ASP N . 17017 1 835 . 1 1 71 71 MET H H 1 8.391 0.05 . 1 . . . . . 71 MET H . 17017 1 836 . 1 1 71 71 MET HA H 1 4.937 0.05 . 1 . . . . . 71 MET HA . 17017 1 837 . 1 1 71 71 MET HB2 H 1 2.034 0.05 . 2 . . . . . 71 MET HB2 . 17017 1 838 . 1 1 71 71 MET HB3 H 1 1.804 0.05 . 2 . . . . . 71 MET HB3 . 17017 1 839 . 1 1 71 71 MET HE1 H 1 1.932 0.05 . . . . . . . 71 MET QE . 17017 1 840 . 1 1 71 71 MET HE2 H 1 1.932 0.05 . . . . . . . 71 MET QE . 17017 1 841 . 1 1 71 71 MET HE3 H 1 1.932 0.05 . . . . . . . 71 MET QE . 17017 1 842 . 1 1 71 71 MET HG2 H 1 2.319 0.05 . 2 . . . . . 71 MET HG2 . 17017 1 843 . 1 1 71 71 MET HG3 H 1 2.009 0.05 . 2 . . . . . 71 MET HG3 . 17017 1 844 . 1 1 71 71 MET C C 13 178.413 0.4 . 1 . . . . . 71 MET C . 17017 1 845 . 1 1 71 71 MET CA C 13 53.615 0.4 . 1 . . . . . 71 MET CA . 17017 1 846 . 1 1 71 71 MET CB C 13 34.218 0.4 . 1 . . . . . 71 MET CB . 17017 1 847 . 1 1 71 71 MET CE C 13 16.838 0.4 . 1 . . . . . 71 MET CE . 17017 1 848 . 1 1 71 71 MET CG C 13 32.255 0.4 . 1 . . . . . 71 MET CG . 17017 1 849 . 1 1 71 71 MET N N 15 118.331 0.4 . 1 . . . . . 71 MET N . 17017 1 850 . 1 1 72 72 LEU H H 1 9.019 0.05 . 1 . . . . . 72 LEU H . 17017 1 851 . 1 1 72 72 LEU HA H 1 4.846 0.05 . 1 . . . . . 72 LEU HA . 17017 1 852 . 1 1 72 72 LEU HB2 H 1 1.675 0.05 . 2 . . . . . 72 LEU HB2 . 17017 1 853 . 1 1 72 72 LEU HB3 H 1 1.254 0.05 . 2 . . . . . 72 LEU HB3 . 17017 1 854 . 1 1 72 72 LEU HD11 H 1 0.696 0.05 . . . . . . . 72 LEU QD1 . 17017 1 855 . 1 1 72 72 LEU HD12 H 1 0.696 0.05 . . . . . . . 72 LEU QD1 . 17017 1 856 . 1 1 72 72 LEU HD13 H 1 0.696 0.05 . . . . . . . 72 LEU QD1 . 17017 1 857 . 1 1 72 72 LEU HD21 H 1 0.695 0.05 . . . . . . . 72 LEU QD2 . 17017 1 858 . 1 1 72 72 LEU HD22 H 1 0.695 0.05 . . . . . . . 72 LEU QD2 . 17017 1 859 . 1 1 72 72 LEU HD23 H 1 0.695 0.05 . . . . . . . 72 LEU QD2 . 17017 1 860 . 1 1 72 72 LEU HG H 1 1.683 0.05 . 1 . . . . . 72 LEU HG . 17017 1 861 . 1 1 72 72 LEU C C 13 177.993 0.4 . 1 . . . . . 72 LEU C . 17017 1 862 . 1 1 72 72 LEU CA C 13 53.499 0.4 . 1 . . . . . 72 LEU CA . 17017 1 863 . 1 1 72 72 LEU CB C 13 43.109 0.4 . 1 . . . . . 72 LEU CB . 17017 1 864 . 1 1 72 72 LEU CD1 C 13 25.821 0.4 . 2 . . . . . 72 LEU CD1 . 17017 1 865 . 1 1 72 72 LEU CD2 C 13 23.657 0.4 . 2 . . . . . 72 LEU CD2 . 17017 1 866 . 1 1 72 72 LEU CG C 13 27.278 0.4 . 1 . . . . . 72 LEU CG . 17017 1 867 . 1 1 72 72 LEU N N 15 127.414 0.4 . 1 . . . . . 72 LEU N . 17017 1 868 . 1 1 73 73 ILE H H 1 8.864 0.05 . 1 . . . . . 73 ILE H . 17017 1 869 . 1 1 73 73 ILE HA H 1 4.602 0.05 . 1 . . . . . 73 ILE HA . 17017 1 870 . 1 1 73 73 ILE HB H 1 1.836 0.05 . 1 . . . . . 73 ILE HB . 17017 1 871 . 1 1 73 73 ILE HD11 H 1 0.833 0.05 . . . . . . . 73 ILE QD1 . 17017 1 872 . 1 1 73 73 ILE HD12 H 1 0.833 0.05 . . . . . . . 73 ILE QD1 . 17017 1 873 . 1 1 73 73 ILE HD13 H 1 0.833 0.05 . . . . . . . 73 ILE QD1 . 17017 1 874 . 1 1 73 73 ILE HG12 H 1 1.545 0.05 . 2 . . . . . 73 ILE HG12 . 17017 1 875 . 1 1 73 73 ILE HG13 H 1 1.109 0.05 . 2 . . . . . 73 ILE HG13 . 17017 1 876 . 1 1 73 73 ILE HG21 H 1 0.884 0.05 . . . . . . . 73 ILE QG2 . 17017 1 877 . 1 1 73 73 ILE HG22 H 1 0.884 0.05 . . . . . . . 73 ILE QG2 . 17017 1 878 . 1 1 73 73 ILE HG23 H 1 0.884 0.05 . . . . . . . 73 ILE QG2 . 17017 1 879 . 1 1 73 73 ILE C C 13 178.354 0.4 . 1 . . . . . 73 ILE C . 17017 1 880 . 1 1 73 73 ILE CA C 13 60.650 0.4 . 1 . . . . . 73 ILE CA . 17017 1 881 . 1 1 73 73 ILE CB C 13 39.161 0.4 . 1 . . . . . 73 ILE CB . 17017 1 882 . 1 1 73 73 ILE CD1 C 13 13.228 0.4 . 1 . . . . . 73 ILE CD1 . 17017 1 883 . 1 1 73 73 ILE CG1 C 13 27.855 0.4 . 1 . . . . . 73 ILE CG1 . 17017 1 884 . 1 1 73 73 ILE CG2 C 13 17.966 0.4 . 1 . . . . . 73 ILE CG2 . 17017 1 885 . 1 1 73 73 ILE N N 15 125.035 0.4 . 1 . . . . . 73 ILE N . 17017 1 886 . 1 1 74 74 VAL H H 1 8.753 0.05 . 1 . . . . . 74 VAL H . 17017 1 887 . 1 1 74 74 VAL HA H 1 5.003 0.05 . 1 . . . . . 74 VAL HA . 17017 1 888 . 1 1 74 74 VAL HB H 1 1.870 0.05 . 1 . . . . . 74 VAL HB . 17017 1 889 . 1 1 74 74 VAL HG11 H 1 0.835 0.05 . . . . . . . 74 VAL QG1 . 17017 1 890 . 1 1 74 74 VAL HG12 H 1 0.835 0.05 . . . . . . . 74 VAL QG1 . 17017 1 891 . 1 1 74 74 VAL HG13 H 1 0.835 0.05 . . . . . . . 74 VAL QG1 . 17017 1 892 . 1 1 74 74 VAL HG21 H 1 0.748 0.05 . . . . . . . 74 VAL QG2 . 17017 1 893 . 1 1 74 74 VAL HG22 H 1 0.748 0.05 . . . . . . . 74 VAL QG2 . 17017 1 894 . 1 1 74 74 VAL HG23 H 1 0.748 0.05 . . . . . . . 74 VAL QG2 . 17017 1 895 . 1 1 74 74 VAL C C 13 178.669 0.4 . 1 . . . . . 74 VAL C . 17017 1 896 . 1 1 74 74 VAL CA C 13 60.659 0.4 . 1 . . . . . 74 VAL CA . 17017 1 897 . 1 1 74 74 VAL CB C 13 33.244 0.4 . 1 . . . . . 74 VAL CB . 17017 1 898 . 1 1 74 74 VAL CG1 C 13 21.573 0.4 . 2 . . . . . 74 VAL CG1 . 17017 1 899 . 1 1 74 74 VAL CG2 C 13 20.726 0.4 . 2 . . . . . 74 VAL CG2 . 17017 1 900 . 1 1 74 74 VAL N N 15 126.106 0.4 . 1 . . . . . 74 VAL N . 17017 1 901 . 1 1 75 75 GLU H H 1 9.080 0.05 . 1 . . . . . 75 GLU H . 17017 1 902 . 1 1 75 75 GLU HA H 1 4.543 0.05 . 1 . . . . . 75 GLU HA . 17017 1 903 . 1 1 75 75 GLU HB2 H 1 1.992 0.05 . 2 . . . . . 75 GLU HB2 . 17017 1 904 . 1 1 75 75 GLU HB3 H 1 1.711 0.05 . 2 . . . . . 75 GLU HB3 . 17017 1 905 . 1 1 75 75 GLU HG2 H 1 2.074 0.05 . 2 . . . . . 75 GLU QG . 17017 1 906 . 1 1 75 75 GLU HG3 H 1 2.074 0.05 . 2 . . . . . 75 GLU QG . 17017 1 907 . 1 1 75 75 GLU C C 13 179.184 0.4 . 1 . . . . . 75 GLU C . 17017 1 908 . 1 1 75 75 GLU CA C 13 53.523 0.4 . 1 . . . . . 75 GLU CA . 17017 1 909 . 1 1 75 75 GLU CB C 13 33.309 0.4 . 1 . . . . . 75 GLU CB . 17017 1 910 . 1 1 75 75 GLU CG C 13 36.564 0.4 . 1 . . . . . 75 GLU CG . 17017 1 911 . 1 1 75 75 GLU N N 15 126.142 0.4 . 1 . . . . . 75 GLU N . 17017 1 912 . 1 1 76 76 GLU H H 1 8.500 0.05 . 1 . . . . . 76 GLU H . 17017 1 913 . 1 1 76 76 GLU HA H 1 4.603 0.05 . 1 . . . . . 76 GLU HA . 17017 1 914 . 1 1 76 76 GLU HB2 H 1 1.981 0.05 . 2 . . . . . 76 GLU HB2 . 17017 1 915 . 1 1 76 76 GLU HB3 H 1 1.717 0.05 . 2 . . . . . 76 GLU HB3 . 17017 1 916 . 1 1 76 76 GLU HG2 H 1 2.073 0.05 . 2 . . . . . 76 GLU QG . 17017 1 917 . 1 1 76 76 GLU HG3 H 1 2.073 0.05 . 2 . . . . . 76 GLU QG . 17017 1 918 . 1 1 76 76 GLU C C 13 177.548 0.4 . 1 . . . . . 76 GLU C . 17017 1 919 . 1 1 76 76 GLU CA C 13 55.034 0.4 . 1 . . . . . 76 GLU CA . 17017 1 920 . 1 1 76 76 GLU CB C 13 31.219 0.4 . 1 . . . . . 76 GLU CB . 17017 1 921 . 1 1 76 76 GLU CG C 13 37.196 0.4 . 1 . . . . . 76 GLU CG . 17017 1 922 . 1 1 76 76 GLU N N 15 121.004 0.4 . 1 . . . . . 76 GLU N . 17017 1 923 . 1 1 77 77 ASP H H 1 9.042 0.05 . 1 . . . . . 77 ASP H . 17017 1 924 . 1 1 77 77 ASP HA H 1 4.556 0.05 . 1 . . . . . 77 ASP HA . 17017 1 925 . 1 1 77 77 ASP HB2 H 1 2.623 0.05 . 2 . . . . . 77 ASP HB2 . 17017 1 926 . 1 1 77 77 ASP HB3 H 1 2.260 0.05 . 2 . . . . . 77 ASP HB3 . 17017 1 927 . 1 1 77 77 ASP CA C 13 53.835 0.4 . 1 . . . . . 77 ASP CA . 17017 1 928 . 1 1 77 77 ASP CB C 13 41.511 0.4 . 1 . . . . . 77 ASP CB . 17017 1 929 . 1 1 77 77 ASP N N 15 126.890 0.4 . 1 . . . . . 77 ASP N . 17017 1 930 . 1 1 78 78 GLN H H 1 8.683 0.05 . 1 . . . . . 78 GLN H . 17017 1 931 . 1 1 78 78 GLN HA H 1 4.395 0.05 . 1 . . . . . 78 GLN HA . 17017 1 932 . 1 1 78 78 GLN HB2 H 1 2.197 0.05 . 2 . . . . . 78 GLN HB2 . 17017 1 933 . 1 1 78 78 GLN HB3 H 1 1.883 0.05 . 2 . . . . . 78 GLN HB3 . 17017 1 934 . 1 1 78 78 GLN HE21 H 1 6.830 0.05 . 2 . . . . . 78 GLN HE21 . 17017 1 935 . 1 1 78 78 GLN HE22 H 1 7.476 0.05 . 2 . . . . . 78 GLN HE22 . 17017 1 936 . 1 1 78 78 GLN HG2 H 1 2.330 0.05 . 2 . . . . . 78 GLN QG . 17017 1 937 . 1 1 78 78 GLN HG3 H 1 2.330 0.05 . 2 . . . . . 78 GLN QG . 17017 1 938 . 1 1 78 78 GLN C C 13 176.961 0.4 . 1 . . . . . 78 GLN C . 17017 1 939 . 1 1 78 78 GLN CA C 13 55.561 0.4 . 1 . . . . . 78 GLN CA . 17017 1 940 . 1 1 78 78 GLN CB C 13 29.093 0.4 . 1 . . . . . 78 GLN CB . 17017 1 941 . 1 1 78 78 GLN CG C 13 33.738 0.4 . 1 . . . . . 78 GLN CG . 17017 1 942 . 1 1 78 78 GLN N N 15 123.652 0.4 . 1 . . . . . 78 GLN N . 17017 1 943 . 1 1 78 78 GLN NE2 N 15 112.312 0.4 . 1 . . . . . 78 GLN NE2 . 17017 1 944 . 1 1 79 79 THR H H 1 8.393 0.05 . 1 . . . . . 79 THR H . 17017 1 945 . 1 1 79 79 THR HA H 1 4.193 0.05 . 1 . . . . . 79 THR HA . 17017 1 946 . 1 1 79 79 THR HB H 1 4.154 0.05 . 1 . . . . . 79 THR HB . 17017 1 947 . 1 1 79 79 THR HG21 H 1 1.150 0.05 . . . . . . . 79 THR QG2 . 17017 1 948 . 1 1 79 79 THR HG22 H 1 1.150 0.05 . . . . . . . 79 THR QG2 . 17017 1 949 . 1 1 79 79 THR HG23 H 1 1.150 0.05 . . . . . . . 79 THR QG2 . 17017 1 950 . 1 1 79 79 THR C C 13 178.734 0.4 . 1 . . . . . 79 THR C . 17017 1 951 . 1 1 79 79 THR CA C 13 62.772 0.4 . 1 . . . . . 79 THR CA . 17017 1 952 . 1 1 79 79 THR CB C 13 69.552 0.4 . 1 . . . . . 79 THR CB . 17017 1 953 . 1 1 79 79 THR CG2 C 13 21.712 0.4 . 1 . . . . . 79 THR CG2 . 17017 1 954 . 1 1 79 79 THR N N 15 114.465 0.4 . 1 . . . . . 79 THR N . 17017 1 955 . 1 1 80 80 ARG H H 1 7.892 0.05 . 1 . . . . . 80 ARG H . 17017 1 956 . 1 1 80 80 ARG HA H 1 4.530 0.05 . 1 . . . . . 80 ARG HA . 17017 1 957 . 1 1 80 80 ARG HB2 H 1 1.801 0.05 . 2 . . . . . 80 ARG HB2 . 17017 1 958 . 1 1 80 80 ARG HB3 H 1 1.679 0.05 . 2 . . . . . 80 ARG HB3 . 17017 1 959 . 1 1 80 80 ARG HG2 H 1 1.642 0.05 . 2 . . . . . 80 ARG HG2 . 17017 1 960 . 1 1 80 80 ARG HG3 H 1 1.573 0.05 . 2 . . . . . 80 ARG HG3 . 17017 1 961 . 1 1 80 80 ARG CA C 13 54.171 0.4 . 1 . . . . . 80 ARG CA . 17017 1 962 . 1 1 80 80 ARG CB C 13 29.901 0.4 . 1 . . . . . 80 ARG CB . 17017 1 963 . 1 1 80 80 ARG CG C 13 26.869 0.4 . 1 . . . . . 80 ARG CG . 17017 1 964 . 1 1 80 80 ARG N N 15 124.120 0.4 . 1 . . . . . 80 ARG N . 17017 1 965 . 1 1 81 81 PRO HA H 1 4.343 0.05 . 1 . . . . . 81 PRO HA . 17017 1 966 . 1 1 81 81 PRO HB2 H 1 2.232 0.05 . 2 . . . . . 81 PRO HB2 . 17017 1 967 . 1 1 81 81 PRO HB3 H 1 1.808 0.05 . 2 . . . . . 81 PRO HB3 . 17017 1 968 . 1 1 81 81 PRO HD2 H 1 3.761 0.05 . 2 . . . . . 81 PRO HD2 . 17017 1 969 . 1 1 81 81 PRO HD3 H 1 3.539 0.05 . 2 . . . . . 81 PRO HD3 . 17017 1 970 . 1 1 81 81 PRO HG2 H 1 1.941 0.05 . 2 . . . . . 81 PRO QG . 17017 1 971 . 1 1 81 81 PRO HG3 H 1 1.941 0.05 . 2 . . . . . 81 PRO QG . 17017 1 972 . 1 1 81 81 PRO C C 13 176.538 0.4 . 1 . . . . . 81 PRO C . 17017 1 973 . 1 1 81 81 PRO CA C 13 63.079 0.4 . 1 . . . . . 81 PRO CA . 17017 1 974 . 1 1 81 81 PRO CB C 13 32.012 0.4 . 1 . . . . . 81 PRO CB . 17017 1 975 . 1 1 81 81 PRO CD C 13 50.522 0.4 . 1 . . . . . 81 PRO CD . 17017 1 976 . 1 1 81 81 PRO CG C 13 27.309 0.4 . 1 . . . . . 81 PRO CG . 17017 1 977 . 1 1 82 82 LYS H H 1 8.348 0.05 . 1 . . . . . 82 LYS H . 17017 1 978 . 1 1 82 82 LYS HA H 1 4.193 0.05 . 1 . . . . . 82 LYS HA . 17017 1 979 . 1 1 82 82 LYS HB2 H 1 1.768 0.05 . 2 . . . . . 82 LYS HB2 . 17017 1 980 . 1 1 82 82 LYS HB3 H 1 1.684 0.05 . 2 . . . . . 82 LYS HB3 . 17017 1 981 . 1 1 82 82 LYS HD2 H 1 1.633 0.05 . 2 . . . . . 82 LYS QD . 17017 1 982 . 1 1 82 82 LYS HD3 H 1 1.633 0.05 . 2 . . . . . 82 LYS QD . 17017 1 983 . 1 1 82 82 LYS HE2 H 1 2.957 0.05 . 2 . . . . . 82 LYS QE . 17017 1 984 . 1 1 82 82 LYS HE3 H 1 2.957 0.05 . 2 . . . . . 82 LYS QE . 17017 1 985 . 1 1 82 82 LYS HG2 H 1 1.427 0.05 . 2 . . . . . 82 LYS HG2 . 17017 1 986 . 1 1 82 82 LYS HG3 H 1 1.390 0.05 . 2 . . . . . 82 LYS HG3 . 17017 1 987 . 1 1 82 82 LYS C C 13 177.041 0.4 . 1 . . . . . 82 LYS C . 17017 1 988 . 1 1 82 82 LYS CA C 13 56.311 0.4 . 1 . . . . . 82 LYS CA . 17017 1 989 . 1 1 82 82 LYS CB C 13 33.287 0.4 . 1 . . . . . 82 LYS CB . 17017 1 990 . 1 1 82 82 LYS CD C 13 29.281 0.4 . 1 . . . . . 82 LYS CD . 17017 1 991 . 1 1 82 82 LYS CE C 13 42.146 0.4 . 1 . . . . . 82 LYS CE . 17017 1 992 . 1 1 82 82 LYS CG C 13 24.861 0.4 . 1 . . . . . 82 LYS CG . 17017 1 993 . 1 1 82 82 LYS N N 15 122.032 0.4 . 1 . . . . . 82 LYS N . 17017 1 994 . 1 1 83 83 ALA H H 1 8.253 0.05 . 1 . . . . . 83 ALA H . 17017 1 995 . 1 1 83 83 ALA HA H 1 4.240 0.05 . 1 . . . . . 83 ALA HA . 17017 1 996 . 1 1 83 83 ALA HB1 H 1 1.281 0.05 . . . . . . . 83 ALA QB . 17017 1 997 . 1 1 83 83 ALA HB2 H 1 1.281 0.05 . . . . . . . 83 ALA QB . 17017 1 998 . 1 1 83 83 ALA HB3 H 1 1.281 0.05 . . . . . . . 83 ALA QB . 17017 1 999 . 1 1 83 83 ALA C C 13 181.539 0.4 . 1 . . . . . 83 ALA C . 17017 1 1000 . 1 1 83 83 ALA CA C 13 52.225 0.4 . 1 . . . . . 83 ALA CA . 17017 1 1001 . 1 1 83 83 ALA CB C 13 19.351 0.4 . 1 . . . . . 83 ALA CB . 17017 1 1002 . 1 1 83 83 ALA N N 15 125.427 0.4 . 1 . . . . . 83 ALA N . 17017 1 1003 . 1 1 84 84 SER H H 1 8.009 0.05 . 1 . . . . . 84 SER H . 17017 1 1004 . 1 1 84 84 SER N N 15 115.215 0.4 . 1 . . . . . 84 SER N . 17017 1 1005 . 1 1 85 85 PRO HA H 1 4.419 0.05 . 1 . . . . . 85 PRO HA . 17017 1 1006 . 1 1 85 85 PRO HB2 H 1 2.252 0.05 . 2 . . . . . 85 PRO HB2 . 17017 1 1007 . 1 1 85 85 PRO HB3 H 1 1.952 0.05 . 2 . . . . . 85 PRO HB3 . 17017 1 1008 . 1 1 85 85 PRO HD2 H 1 3.762 0.05 . 2 . . . . . 85 PRO HD2 . 17017 1 1009 . 1 1 85 85 PRO HD3 H 1 3.696 0.05 . 2 . . . . . 85 PRO HD3 . 17017 1 1010 . 1 1 85 85 PRO HG2 H 1 1.990 0.05 . 2 . . . . . 85 PRO HG2 . 17017 1 1011 . 1 1 85 85 PRO HG3 H 1 1.962 0.05 . 2 . . . . . 85 PRO HG3 . 17017 1 1012 . 1 1 85 85 PRO C C 13 177.146 0.4 . 1 . . . . . 85 PRO C . 17017 1 1013 . 1 1 85 85 PRO CA C 13 63.623 0.4 . 1 . . . . . 85 PRO CA . 17017 1 1014 . 1 1 85 85 PRO CB C 13 32.082 0.4 . 1 . . . . . 85 PRO CB . 17017 1 1015 . 1 1 85 85 PRO CD C 13 50.962 0.4 . 1 . . . . . 85 PRO CD . 17017 1 1016 . 1 1 85 85 PRO CG C 13 26.742 0.4 . 1 . . . . . 85 PRO CG . 17017 1 1017 . 1 1 86 86 SER H H 1 7.908 0.05 . 1 . . . . . 86 SER H . 17017 1 1018 . 1 1 86 86 SER N N 15 121.602 0.4 . 1 . . . . . 86 SER N . 17017 1 stop_ save_