################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 52953 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name cg18262_chem_shifts _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 52953 1 2 '3D HNCO' . . . 52953 1 3 '3D HNCACO' . . . 52953 1 4 '3D HNCOCA' . . . 52953 1 5 '3D HNCA' . . . 52953 1 6 '3D C(CO)NH' . . . 52953 1 7 '3D HBHA(CO)NH' . . . 52953 1 8 '3D HNHA' . . . 52953 1 9 '3D HNHB' . . . 52953 1 10 '3D HCCH-TOCSY' . . . 52953 1 11 '2D DQF-COSY' . . . 52953 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . 52953 1 2 $software_2 . . 52953 1 3 $software_3 . . 52953 1 4 $software_4 . . 52953 1 5 $software_5 . . 52953 1 6 $software_6 . . 52953 1 7 $software_7 . . 52953 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 4 4 PRO HA H 1 4.429 0.026 . 1 . . . . . 4 PRO HA . 52953 1 2 . 1 . 1 4 4 PRO HB2 H 1 1.836 0.014 . 2 . . . . . 4 PRO HB1 . 52953 1 3 . 1 . 1 4 4 PRO C C 13 176.723 0.000 . 1 . . . . . 4 PRO C . 52953 1 4 . 1 . 1 4 4 PRO CA C 13 64.323 0.100 . 1 . . . . . 4 PRO CA . 52953 1 5 . 1 . 1 4 4 PRO CB C 13 32.880 0.065 . 1 . . . . . 4 PRO CB . 52953 1 6 . 1 . 1 4 4 PRO CG C 13 28.262 0.019 . 1 . . . . . 4 PRO CG . 52953 1 7 . 1 . 1 4 4 PRO CD C 13 51.588 0.000 . 1 . . . . . 4 PRO CD . 52953 1 8 . 1 . 1 5 5 GLU H H 1 8.441 0.006 . 1 . . . . . 5 GLU H . 52953 1 9 . 1 . 1 5 5 GLU HA H 1 4.120 0.008 . 1 . . . . . 5 GLU HA . 52953 1 10 . 1 . 1 5 5 GLU HB2 H 1 1.824 0.014 . 2 . . . . . 5 GLU HB1 . 52953 1 11 . 1 . 1 5 5 GLU HG2 H 1 2.000 0.009 . 2 . . . . . 5 GLU HG1 . 52953 1 12 . 1 . 1 5 5 GLU C C 13 176.140 0.099 . 1 . . . . . 5 GLU C . 52953 1 13 . 1 . 1 5 5 GLU CA C 13 57.804 0.156 . 1 . . . . . 5 GLU CA . 52953 1 14 . 1 . 1 5 5 GLU CB C 13 31.120 0.091 . 1 . . . . . 5 GLU CB . 52953 1 15 . 1 . 1 5 5 GLU CG C 13 37.032 0.095 . 1 . . . . . 5 GLU CG . 52953 1 16 . 1 . 1 5 5 GLU N N 15 120.446 0.046 . 1 . . . . . 5 GLU N . 52953 1 17 . 1 . 1 6 6 PHE H H 1 8.023 0.003 . 1 . . . . . 6 PHE H . 52953 1 18 . 1 . 1 6 6 PHE HB2 H 1 3.193 0.000 . 2 . . . . . 6 PHE HB2 . 52953 1 19 . 1 . 1 6 6 PHE HB3 H 1 3.014 0.002 . 2 . . . . . 6 PHE HB3 . 52953 1 20 . 1 . 1 6 6 PHE C C 13 175.316 0.003 . 1 . . . . . 6 PHE C . 52953 1 21 . 1 . 1 6 6 PHE CA C 13 58.247 0.150 . 1 . . . . . 6 PHE CA . 52953 1 22 . 1 . 1 6 6 PHE CB C 13 40.352 0.146 . 1 . . . . . 6 PHE CB . 52953 1 23 . 1 . 1 6 6 PHE N N 15 119.876 0.050 . 1 . . . . . 6 PHE N . 52953 1 24 . 1 . 1 7 7 MET H H 1 8.065 0.004 . 1 . . . . . 7 MET H . 52953 1 25 . 1 . 1 7 7 MET HA H 1 4.426 0.000 . 1 . . . . . 7 MET HA . 52953 1 26 . 1 . 1 7 7 MET HB2 H 1 1.968 0.000 . 2 . . . . . 7 MET HB1 . 52953 1 27 . 1 . 1 7 7 MET C C 13 175.383 0.000 . 1 . . . . . 7 MET C . 52953 1 28 . 1 . 1 7 7 MET CA C 13 56.185 0.155 . 1 . . . . . 7 MET CA . 52953 1 29 . 1 . 1 7 7 MET CB C 13 32.921 0.000 . 1 . . . . . 7 MET CB . 52953 1 30 . 1 . 1 7 7 MET N N 15 122.067 0.049 . 1 . . . . . 7 MET N . 52953 1 31 . 1 . 1 8 8 ILE H H 1 8.093 0.003 . 1 . . . . . 8 ILE H . 52953 1 32 . 1 . 1 8 8 ILE HA H 1 3.814 0.113 . 1 . . . . . 8 ILE HA . 52953 1 33 . 1 . 1 8 8 ILE HB H 1 1.914 0.037 . 1 . . . . . 8 ILE HB . 52953 1 34 . 1 . 1 8 8 ILE HG12 H 1 1.507 0.006 . 2 . . . . . 8 ILE HG12 . 52953 1 35 . 1 . 1 8 8 ILE HG13 H 1 1.224 0.006 . 2 . . . . . 8 ILE HG13 . 52953 1 36 . 1 . 1 8 8 ILE HG21 H 1 0.985 0.004 . 1 . . . . . 8 ILE HG2 . 52953 1 37 . 1 . 1 8 8 ILE HG22 H 1 0.985 0.004 . 1 . . . . . 8 ILE HG2 . 52953 1 38 . 1 . 1 8 8 ILE HG23 H 1 0.985 0.004 . 1 . . . . . 8 ILE HG2 . 52953 1 39 . 1 . 1 8 8 ILE HD11 H 1 0.908 0.004 . 1 . . . . . 8 ILE HD1 . 52953 1 40 . 1 . 1 8 8 ILE HD12 H 1 0.908 0.004 . 1 . . . . . 8 ILE HD1 . 52953 1 41 . 1 . 1 8 8 ILE HD13 H 1 0.908 0.004 . 1 . . . . . 8 ILE HD1 . 52953 1 42 . 1 . 1 8 8 ILE C C 13 175.208 0.051 . 1 . . . . . 8 ILE C . 52953 1 43 . 1 . 1 8 8 ILE CA C 13 61.848 0.244 . 1 . . . . . 8 ILE CA . 52953 1 44 . 1 . 1 8 8 ILE CB C 13 40.263 0.183 . 1 . . . . . 8 ILE CB . 52953 1 45 . 1 . 1 8 8 ILE CG1 C 13 27.551 0.211 . 1 . . . . . 8 ILE CG1 . 52953 1 46 . 1 . 1 8 8 ILE CG2 C 13 17.919 0.141 . 1 . . . . . 8 ILE CG2 . 52953 1 47 . 1 . 1 8 8 ILE CD1 C 13 14.103 0.065 . 1 . . . . . 8 ILE CD1 . 52953 1 48 . 1 . 1 8 8 ILE N N 15 123.159 0.050 . 1 . . . . . 8 ILE N . 52953 1 49 . 1 . 1 9 9 LYS H H 1 7.913 0.004 . 1 . . . . . 9 LYS H . 52953 1 50 . 1 . 1 9 9 LYS HA H 1 4.159 0.009 . 1 . . . . . 9 LYS HA . 52953 1 51 . 1 . 1 9 9 LYS HB2 H 1 1.792 0.004 . 2 . . . . . 9 LYS HB2 . 52953 1 52 . 1 . 1 9 9 LYS HB3 H 1 1.722 0.004 . 2 . . . . . 9 LYS HB3 . 52953 1 53 . 1 . 1 9 9 LYS HG2 H 1 1.398 0.006 . 2 . . . . . 9 LYS HG1 . 52953 1 54 . 1 . 1 9 9 LYS HD2 H 1 1.673 0.005 . 2 . . . . . 9 LYS HD1 . 52953 1 55 . 1 . 1 9 9 LYS HE2 H 1 2.989 0.005 . 2 . . . . . 9 LYS HE1 . 52953 1 56 . 1 . 1 9 9 LYS C C 13 180.991 0.000 . 1 . . . . . 9 LYS C . 52953 1 57 . 1 . 1 9 9 LYS CA C 13 58.868 0.145 . 1 . . . . . 9 LYS CA . 52953 1 58 . 1 . 1 9 9 LYS CB C 13 34.515 0.075 . 1 . . . . . 9 LYS CB . 52953 1 59 . 1 . 1 9 9 LYS CG C 13 25.680 0.070 . 1 . . . . . 9 LYS CG . 52953 1 60 . 1 . 1 9 9 LYS CD C 13 30.074 0.084 . 1 . . . . . 9 LYS CD . 52953 1 61 . 1 . 1 9 9 LYS CE C 13 43.055 0.072 . 1 . . . . . 9 LYS CE . 52953 1 62 . 1 . 1 9 9 LYS N N 15 130.905 0.041 . 1 . . . . . 9 LYS N . 52953 1 63 . 1 . 1 10 10 VAL HA H 1 3.700 0.005 . 1 . . . . . 10 VAL HA . 52953 1 64 . 1 . 1 10 10 VAL HB H 1 2.119 0.004 . 1 . . . . . 10 VAL HB . 52953 1 65 . 1 . 1 10 10 VAL HG11 H 1 0.963 0.004 . 2 . . . . . 10 VAL HG1 . 52953 1 66 . 1 . 1 10 10 VAL HG12 H 1 0.963 0.004 . 2 . . . . . 10 VAL HG1 . 52953 1 67 . 1 . 1 10 10 VAL HG13 H 1 0.963 0.004 . 2 . . . . . 10 VAL HG1 . 52953 1 68 . 1 . 1 10 10 VAL HG21 H 1 0.960 0.005 . 2 . . . . . 10 VAL HG2 . 52953 1 69 . 1 . 1 10 10 VAL HG22 H 1 0.960 0.005 . 2 . . . . . 10 VAL HG2 . 52953 1 70 . 1 . 1 10 10 VAL HG23 H 1 0.960 0.005 . 2 . . . . . 10 VAL HG2 . 52953 1 71 . 1 . 1 10 10 VAL CA C 13 62.361 0.051 . 1 . . . . . 10 VAL CA . 52953 1 72 . 1 . 1 10 10 VAL CB C 13 33.969 0.052 . 1 . . . . . 10 VAL CB . 52953 1 73 . 1 . 1 10 10 VAL CG1 C 13 21.332 0.013 . 2 . . . . . 10 VAL CG1 . 52953 1 74 . 1 . 1 10 10 VAL CG2 C 13 20.479 0.021 . 2 . . . . . 10 VAL CG2 . 52953 1 75 . 1 . 1 11 11 GLN HA H 1 4.685 0.007 . 1 . . . . . 11 GLN HA . 52953 1 76 . 1 . 1 11 11 GLN HB2 H 1 2.076 0.005 . 2 . . . . . 11 GLN HB2 . 52953 1 77 . 1 . 1 11 11 GLN HB3 H 1 1.953 0.007 . 2 . . . . . 11 GLN HB3 . 52953 1 78 . 1 . 1 11 11 GLN HG2 H 1 2.399 0.006 . 2 . . . . . 11 GLN HG1 . 52953 1 79 . 1 . 1 11 11 GLN HE21 H 1 7.586 0.005 . 2 . . . . . 11 GLN HE21 . 52953 1 80 . 1 . 1 11 11 GLN HE22 H 1 6.896 0.005 . 2 . . . . . 11 GLN HE22 . 52953 1 81 . 1 . 1 11 11 GLN CA C 13 54.435 0.079 . 1 . . . . . 11 GLN CA . 52953 1 82 . 1 . 1 11 11 GLN CB C 13 29.966 0.210 . 1 . . . . . 11 GLN CB . 52953 1 83 . 1 . 1 11 11 GLN CG C 13 34.245 0.081 . 1 . . . . . 11 GLN CG . 52953 1 84 . 1 . 1 11 11 GLN NE2 N 15 112.541 0.101 . 1 . . . . . 11 GLN NE2 . 52953 1 85 . 1 . 1 14 14 PRO HA H 1 4.364 0.008 . 1 . . . . . 14 PRO HA . 52953 1 86 . 1 . 1 14 14 PRO HB2 H 1 2.226 0.007 . 2 . . . . . 14 PRO HB2 . 52953 1 87 . 1 . 1 14 14 PRO HB3 H 1 1.862 0.008 . 2 . . . . . 14 PRO HB3 . 52953 1 88 . 1 . 1 14 14 PRO HG2 H 1 1.971 0.006 . 2 . . . . . 14 PRO HG1 . 52953 1 89 . 1 . 1 14 14 PRO C C 13 176.612 0.000 . 1 . . . . . 14 PRO C . 52953 1 90 . 1 . 1 14 14 PRO CA C 13 63.983 0.090 . 1 . . . . . 14 PRO CA . 52953 1 91 . 1 . 1 14 14 PRO CB C 13 32.838 0.076 . 1 . . . . . 14 PRO CB . 52953 1 92 . 1 . 1 14 14 PRO CG C 13 28.188 0.082 . 1 . . . . . 14 PRO CG . 52953 1 93 . 1 . 1 14 14 PRO CD C 13 51.329 0.032 . 1 . . . . . 14 PRO CD . 52953 1 94 . 1 . 1 15 15 ASP H H 1 8.384 0.005 . 1 . . . . . 15 ASP H . 52953 1 95 . 1 . 1 15 15 ASP HA H 1 4.558 0.011 . 1 . . . . . 15 ASP HA . 52953 1 96 . 1 . 1 15 15 ASP HB2 H 1 2.660 0.006 . 2 . . . . . 15 ASP HB2 . 52953 1 97 . 1 . 1 15 15 ASP HB3 H 1 2.616 0.010 . 2 . . . . . 15 ASP HB3 . 52953 1 98 . 1 . 1 15 15 ASP C C 13 176.558 0.000 . 1 . . . . . 15 ASP C . 52953 1 99 . 1 . 1 15 15 ASP CA C 13 55.134 0.214 . 1 . . . . . 15 ASP CA . 52953 1 100 . 1 . 1 15 15 ASP CB C 13 41.874 0.095 . 1 . . . . . 15 ASP CB . 52953 1 101 . 1 . 1 15 15 ASP N N 15 119.902 0.058 . 1 . . . . . 15 ASP N . 52953 1 102 . 1 . 1 16 16 VAL H H 1 7.960 0.005 . 1 . . . . . 16 VAL H . 52953 1 103 . 1 . 1 16 16 VAL HA H 1 4.073 0.007 . 1 . . . . . 16 VAL HA . 52953 1 104 . 1 . 1 16 16 VAL HB H 1 2.068 0.008 . 1 . . . . . 16 VAL HB . 52953 1 105 . 1 . 1 16 16 VAL HG11 H 1 0.886 0.006 . 2 . . . . . 16 VAL HG1 . 52953 1 106 . 1 . 1 16 16 VAL HG12 H 1 0.886 0.006 . 2 . . . . . 16 VAL HG1 . 52953 1 107 . 1 . 1 16 16 VAL HG13 H 1 0.886 0.006 . 2 . . . . . 16 VAL HG1 . 52953 1 108 . 1 . 1 16 16 VAL HG21 H 1 0.890 0.004 . 2 . . . . . 16 VAL HG2 . 52953 1 109 . 1 . 1 16 16 VAL HG22 H 1 0.890 0.004 . 2 . . . . . 16 VAL HG2 . 52953 1 110 . 1 . 1 16 16 VAL HG23 H 1 0.890 0.004 . 2 . . . . . 16 VAL HG2 . 52953 1 111 . 1 . 1 16 16 VAL C C 13 176.273 0.043 . 1 . . . . . 16 VAL C . 52953 1 112 . 1 . 1 16 16 VAL CA C 13 63.153 0.082 . 1 . . . . . 16 VAL CA . 52953 1 113 . 1 . 1 16 16 VAL CB C 13 33.555 0.067 . 1 . . . . . 16 VAL CB . 52953 1 114 . 1 . 1 16 16 VAL CG1 C 13 21.875 0.067 . 2 . . . . . 16 VAL CG1 . 52953 1 115 . 1 . 1 16 16 VAL CG2 C 13 21.091 0.009 . 2 . . . . . 16 VAL CG2 . 52953 1 116 . 1 . 1 16 16 VAL N N 15 119.846 0.029 . 1 . . . . . 16 VAL N . 52953 1 117 . 1 . 1 17 17 ALA H H 1 8.344 0.010 . 1 . . . . . 17 ALA H . 52953 1 118 . 1 . 1 17 17 ALA HA H 1 4.212 0.009 . 1 . . . . . 17 ALA HA . 52953 1 119 . 1 . 1 17 17 ALA HB1 H 1 1.364 0.008 . 1 . . . . . 17 ALA HB . 52953 1 120 . 1 . 1 17 17 ALA HB2 H 1 1.364 0.008 . 1 . . . . . 17 ALA HB . 52953 1 121 . 1 . 1 17 17 ALA HB3 H 1 1.364 0.008 . 1 . . . . . 17 ALA HB . 52953 1 122 . 1 . 1 17 17 ALA C C 13 178.443 0.044 . 1 . . . . . 17 ALA C . 52953 1 123 . 1 . 1 17 17 ALA CA C 13 53.899 0.257 . 1 . . . . . 17 ALA CA . 52953 1 124 . 1 . 1 17 17 ALA CB C 13 19.792 0.079 . 1 . . . . . 17 ALA CB . 52953 1 125 . 1 . 1 17 17 ALA N N 15 126.668 0.046 . 1 . . . . . 17 ALA N . 52953 1 126 . 1 . 1 18 18 GLY H H 1 8.274 0.004 . 1 . . . . . 18 GLY H . 52953 1 127 . 1 . 1 18 18 GLY HA2 H 1 3.923 0.009 . 2 . . . . . 18 GLY HA2 . 52953 1 128 . 1 . 1 18 18 GLY HA3 H 1 3.268 0.013 . 2 . . . . . 18 GLY HA3 . 52953 1 129 . 1 . 1 18 18 GLY C C 13 174.701 0.016 . 1 . . . . . 18 GLY C . 52953 1 130 . 1 . 1 18 18 GLY CA C 13 46.386 0.119 . 1 . . . . . 18 GLY CA . 52953 1 131 . 1 . 1 18 18 GLY N N 15 107.600 0.064 . 1 . . . . . 18 GLY N . 52953 1 132 . 1 . 1 19 19 GLY H H 1 8.078 0.004 . 1 . . . . . 19 GLY H . 52953 1 133 . 1 . 1 19 19 GLY HA2 H 1 4.025 0.006 . 2 . . . . . 19 GLY HA2 . 52953 1 134 . 1 . 1 19 19 GLY HA3 H 1 3.895 0.010 . 2 . . . . . 19 GLY HA3 . 52953 1 135 . 1 . 1 19 19 GLY C C 13 174.178 0.065 . 1 . . . . . 19 GLY C . 52953 1 136 . 1 . 1 19 19 GLY CA C 13 45.880 0.111 . 1 . . . . . 19 GLY CA . 52953 1 137 . 1 . 1 19 19 GLY N N 15 107.883 0.038 . 1 . . . . . 19 GLY N . 52953 1 138 . 1 . 1 20 20 TYR H H 1 8.264 0.004 . 1 . . . . . 20 TYR H . 52953 1 139 . 1 . 1 20 20 TYR HA H 1 4.689 0.013 . 1 . . . . . 20 TYR HA . 52953 1 140 . 1 . 1 20 20 TYR HB2 H 1 3.229 0.006 . 1 . . . . . 20 TYR HB2 . 52953 1 141 . 1 . 1 20 20 TYR HB3 H 1 3.002 0.008 . 1 . . . . . 20 TYR HB3 . 52953 1 142 . 1 . 1 20 20 TYR HD1 H 1 7.313 0.004 . 1 . . . . . 20 TYR HD1 . 52953 1 143 . 1 . 1 20 20 TYR HD2 H 1 7.313 0.004 . 1 . . . . . 20 TYR HD2 . 52953 1 144 . 1 . 1 20 20 TYR HE1 H 1 6.944 0.003 . 1 . . . . . 20 TYR HE1 . 52953 1 145 . 1 . 1 20 20 TYR HE2 H 1 6.944 0.003 . 1 . . . . . 20 TYR HE2 . 52953 1 146 . 1 . 1 20 20 TYR C C 13 174.697 0.028 . 1 . . . . . 20 TYR C . 52953 1 147 . 1 . 1 20 20 TYR CA C 13 58.133 0.078 . 1 . . . . . 20 TYR CA . 52953 1 148 . 1 . 1 20 20 TYR CB C 13 39.382 0.086 . 1 . . . . . 20 TYR CB . 52953 1 149 . 1 . 1 20 20 TYR CD1 C 13 133.010 0.033 . 1 . . . . . 20 TYR CD1 . 52953 1 150 . 1 . 1 20 20 TYR CD2 C 13 133.01 0.033 . 1 . . . . . 20 TYR CD2 . 52953 1 151 . 1 . 1 20 20 TYR CE1 C 13 118.534 0.006 . 1 . . . . . 20 TYR CE1 . 52953 1 152 . 1 . 1 20 20 TYR CE2 C 13 118.534 0.006 . 1 . . . . . 20 TYR CE2 . 52953 1 153 . 1 . 1 20 20 TYR N N 15 119.244 0.032 . 1 . . . . . 20 TYR N . 52953 1 154 . 1 . 1 21 21 HIS H H 1 8.324 0.004 . 1 . . . . . 21 HIS H . 52953 1 155 . 1 . 1 21 21 HIS HA H 1 4.653 0.007 . 1 . . . . . 21 HIS HA . 52953 1 156 . 1 . 1 21 21 HIS HB2 H 1 3.058 0.018 . 2 . . . . . 21 HIS HB2 . 52953 1 157 . 1 . 1 21 21 HIS HB3 H 1 2.956 0.023 . 2 . . . . . 21 HIS HB3 . 52953 1 158 . 1 . 1 21 21 HIS HD2 H 1 7.017 0.013 . 1 . . . . . 21 HIS HD2 . 52953 1 159 . 1 . 1 21 21 HIS HE2 H 1 7.883 0.003 . 1 . . . . . 21 HIS HE2 . 52953 1 160 . 1 . 1 21 21 HIS C C 13 173.356 0.025 . 1 . . . . . 21 HIS C . 52953 1 161 . 1 . 1 21 21 HIS CA C 13 56.802 0.052 . 1 . . . . . 21 HIS CA . 52953 1 162 . 1 . 1 21 21 HIS CB C 13 32.768 0.100 . 1 . . . . . 21 HIS CB . 52953 1 163 . 1 . 1 21 21 HIS CD2 C 13 119.965 0.013 . 1 . . . . . 21 HIS CD2 . 52953 1 164 . 1 . 1 21 21 HIS N N 15 120.452 0.033 . 1 . . . . . 21 HIS N . 52953 1 165 . 1 . 1 22 22 ASN H H 1 8.594 0.004 . 1 . . . . . 22 ASN H . 52953 1 166 . 1 . 1 22 22 ASN HA H 1 3.736 0.009 . 1 . . . . . 22 ASN HA . 52953 1 167 . 1 . 1 22 22 ASN HB2 H 1 2.762 0.008 . 1 . . . . . 22 ASN HB2 . 52953 1 168 . 1 . 1 22 22 ASN HB3 H 1 2.578 0.014 . 1 . . . . . 22 ASN HB3 . 52953 1 169 . 1 . 1 22 22 ASN HD21 H 1 7.269 0.005 . 2 . . . . . 22 ASN HD21 . 52953 1 170 . 1 . 1 22 22 ASN HD22 H 1 6.680 0.007 . 2 . . . . . 22 ASN HD22 . 52953 1 171 . 1 . 1 22 22 ASN C C 13 173.401 0.027 . 1 . . . . . 22 ASN C . 52953 1 172 . 1 . 1 22 22 ASN CA C 13 54.758 0.050 . 1 . . . . . 22 ASN CA . 52953 1 173 . 1 . 1 22 22 ASN CB C 13 38.113 0.071 . 1 . . . . . 22 ASN CB . 52953 1 174 . 1 . 1 22 22 ASN CG C 13 177.031 0.000 . 1 . . . . . 22 ASN CG . 52953 1 175 . 1 . 1 22 22 ASN N N 15 124.573 0.037 . 1 . . . . . 22 ASN N . 52953 1 176 . 1 . 1 22 22 ASN ND2 N 15 112.562 0.307 . 1 . . . . . 22 ASN ND2 . 52953 1 177 . 1 . 1 23 23 LEU H H 1 8.939 0.005 . 1 . . . . . 23 LEU H . 52953 1 178 . 1 . 1 23 23 LEU HA H 1 4.328 0.008 . 1 . . . . . 23 LEU HA . 52953 1 179 . 1 . 1 23 23 LEU HB2 H 1 2.029 0.016 . 1 . . . . . 23 LEU HB2 . 52953 1 180 . 1 . 1 23 23 LEU HB3 H 1 1.518 0.011 . 1 . . . . . 23 LEU HB3 . 52953 1 181 . 1 . 1 23 23 LEU HG H 1 0.891 0.011 . 1 . . . . . 23 LEU HG . 52953 1 182 . 1 . 1 23 23 LEU HD11 H 1 0.951 0.005 . 2 . . . . . 23 LEU HD1 . 52953 1 183 . 1 . 1 23 23 LEU HD12 H 1 0.951 0.005 . 2 . . . . . 23 LEU HD1 . 52953 1 184 . 1 . 1 23 23 LEU HD13 H 1 0.951 0.005 . 2 . . . . . 23 LEU HD1 . 52953 1 185 . 1 . 1 23 23 LEU C C 13 176.742 0.012 . 1 . . . . . 23 LEU C . 52953 1 186 . 1 . 1 23 23 LEU CA C 13 55.856 0.085 . 1 . . . . . 23 LEU CA . 52953 1 187 . 1 . 1 23 23 LEU CB C 13 44.297 0.093 . 1 . . . . . 23 LEU CB . 52953 1 188 . 1 . 1 23 23 LEU CG C 13 27.398 0.177 . 1 . . . . . 23 LEU CG . 52953 1 189 . 1 . 1 23 23 LEU CD1 C 13 24.098 0.053 . 2 . . . . . 23 LEU CD1 . 52953 1 190 . 1 . 1 23 23 LEU CD2 C 13 24.100 0.000 . 2 . . . . . 23 LEU CD2 . 52953 1 191 . 1 . 1 23 23 LEU N N 15 120.680 0.027 . 1 . . . . . 23 LEU N . 52953 1 192 . 1 . 1 24 24 ARG H H 1 8.887 0.006 . 1 . . . . . 24 ARG H . 52953 1 193 . 1 . 1 24 24 ARG HA H 1 4.665 0.003 . 1 . . . . . 24 ARG HA . 52953 1 194 . 1 . 1 24 24 ARG HB2 H 1 1.810 0.016 . 2 . . . . . 24 ARG HB2 . 52953 1 195 . 1 . 1 24 24 ARG HB3 H 1 1.774 0.000 . 2 . . . . . 24 ARG HB3 . 52953 1 196 . 1 . 1 24 24 ARG HD2 H 1 3.222 0.006 . 2 . . . . . 24 ARG HD2 . 52953 1 197 . 1 . 1 24 24 ARG HD3 H 1 3.144 0.008 . 2 . . . . . 24 ARG HD3 . 52953 1 198 . 1 . 1 24 24 ARG C C 13 175.424 0.019 . 1 . . . . . 24 ARG C . 52953 1 199 . 1 . 1 24 24 ARG CA C 13 57.764 0.112 . 1 . . . . . 24 ARG CA . 52953 1 200 . 1 . 1 24 24 ARG CB C 13 30.573 0.159 . 1 . . . . . 24 ARG CB . 52953 1 201 . 1 . 1 24 24 ARG CG C 13 28.805 0.109 . 1 . . . . . 24 ARG CG . 52953 1 202 . 1 . 1 24 24 ARG CD C 13 44.374 0.104 . 1 . . . . . 24 ARG CD . 52953 1 203 . 1 . 1 24 24 ARG N N 15 130.813 0.047 . 1 . . . . . 24 ARG N . 52953 1 204 . 1 . 1 25 25 CYS H H 1 9.021 0.004 . 1 . . . . . 25 CYS H . 52953 1 205 . 1 . 1 25 25 CYS HA H 1 4.912 0.006 . 1 . . . . . 25 CYS HA . 52953 1 206 . 1 . 1 25 25 CYS HB2 H 1 3.340 0.007 . 1 . . . . . 25 CYS HB2 . 52953 1 207 . 1 . 1 25 25 CYS HB3 H 1 2.822 0.007 . 1 . . . . . 25 CYS HB3 . 52953 1 208 . 1 . 1 25 25 CYS C C 13 173.740 0.005 . 1 . . . . . 25 CYS C . 52953 1 209 . 1 . 1 25 25 CYS CA C 13 58.256 0.146 . 1 . . . . . 25 CYS CA . 52953 1 210 . 1 . 1 25 25 CYS CB C 13 31.384 0.132 . 1 . . . . . 25 CYS CB . 52953 1 211 . 1 . 1 25 25 CYS N N 15 120.739 0.054 . 1 . . . . . 25 CYS N . 52953 1 212 . 1 . 1 26 26 GLY H H 1 7.481 0.004 . 1 . . . . . 26 GLY H . 52953 1 213 . 1 . 1 26 26 GLY HA2 H 1 4.873 0.010 . 1 . . . . . 26 GLY HA2 . 52953 1 214 . 1 . 1 26 26 GLY HA3 H 1 3.257 0.014 . 1 . . . . . 26 GLY HA3 . 52953 1 215 . 1 . 1 26 26 GLY C C 13 171.136 0.028 . 1 . . . . . 26 GLY C . 52953 1 216 . 1 . 1 26 26 GLY CA C 13 46.423 0.154 . 1 . . . . . 26 GLY CA . 52953 1 217 . 1 . 1 26 26 GLY N N 15 107.454 0.026 . 1 . . . . . 26 GLY N . 52953 1 218 . 1 . 1 27 27 GLU H H 1 8.547 0.005 . 1 . . . . . 27 GLU H . 52953 1 219 . 1 . 1 27 27 GLU HA H 1 5.045 0.007 . 1 . . . . . 27 GLU HA . 52953 1 220 . 1 . 1 27 27 GLU HB2 H 1 1.961 0.008 . 2 . . . . . 27 GLU HB1 . 52953 1 221 . 1 . 1 27 27 GLU HG2 H 1 2.229 0.012 . 2 . . . . . 27 GLU HG1 . 52953 1 222 . 1 . 1 27 27 GLU C C 13 174.182 0.052 . 1 . . . . . 27 GLU C . 52953 1 223 . 1 . 1 27 27 GLU CA C 13 55.795 0.130 . 1 . . . . . 27 GLU CA . 52953 1 224 . 1 . 1 27 27 GLU CB C 13 33.819 0.073 . 1 . . . . . 27 GLU CB . 52953 1 225 . 1 . 1 27 27 GLU CG C 13 37.837 0.062 . 1 . . . . . 27 GLU CG . 52953 1 226 . 1 . 1 27 27 GLU N N 15 120.732 0.028 . 1 . . . . . 27 GLU N . 52953 1 227 . 1 . 1 28 28 VAL H H 1 8.710 0.005 . 1 . . . . . 28 VAL H . 52953 1 228 . 1 . 1 28 28 VAL HA H 1 4.496 0.006 . 1 . . . . . 28 VAL HA . 52953 1 229 . 1 . 1 28 28 VAL HB H 1 1.550 0.013 . 1 . . . . . 28 VAL HB . 52953 1 230 . 1 . 1 28 28 VAL HG11 H 1 0.403 0.005 . 2 . . . . . 28 VAL HG1 . 52953 1 231 . 1 . 1 28 28 VAL HG12 H 1 0.403 0.005 . 2 . . . . . 28 VAL HG1 . 52953 1 232 . 1 . 1 28 28 VAL HG13 H 1 0.403 0.005 . 2 . . . . . 28 VAL HG1 . 52953 1 233 . 1 . 1 28 28 VAL HG21 H 1 0.797 0.009 . 2 . . . . . 28 VAL HG2 . 52953 1 234 . 1 . 1 28 28 VAL HG22 H 1 0.797 0.009 . 2 . . . . . 28 VAL HG2 . 52953 1 235 . 1 . 1 28 28 VAL HG23 H 1 0.797 0.009 . 2 . . . . . 28 VAL HG2 . 52953 1 236 . 1 . 1 28 28 VAL C C 13 174.035 0.029 . 1 . . . . . 28 VAL C . 52953 1 237 . 1 . 1 28 28 VAL CA C 13 62.606 0.097 . 1 . . . . . 28 VAL CA . 52953 1 238 . 1 . 1 28 28 VAL CB C 13 32.756 0.051 . 1 . . . . . 28 VAL CB . 52953 1 239 . 1 . 1 28 28 VAL CG1 C 13 23.753 0.024 . 1 . . . . . 28 VAL CG1 . 52953 1 240 . 1 . 1 28 28 VAL CG2 C 13 22.997 0.061 . 1 . . . . . 28 VAL CG2 . 52953 1 241 . 1 . 1 28 28 VAL N N 15 123.617 0.039 . 1 . . . . . 28 VAL N . 52953 1 242 . 1 . 1 29 29 LEU H H 1 9.290 0.004 . 1 . . . . . 29 LEU H . 52953 1 243 . 1 . 1 29 29 LEU HA H 1 5.266 0.008 . 1 . . . . . 29 LEU HA . 52953 1 244 . 1 . 1 29 29 LEU HB2 H 1 1.448 0.006 . 1 . . . . . 29 LEU HB2 . 52953 1 245 . 1 . 1 29 29 LEU HB3 H 1 0.939 0.016 . 1 . . . . . 29 LEU HB3 . 52953 1 246 . 1 . 1 29 29 LEU HG H 1 1.446 0.005 . 1 . . . . . 29 LEU HG . 52953 1 247 . 1 . 1 29 29 LEU HD11 H 1 0.666 0.006 . 2 . . . . . 29 LEU HD1 . 52953 1 248 . 1 . 1 29 29 LEU HD12 H 1 0.666 0.006 . 2 . . . . . 29 LEU HD1 . 52953 1 249 . 1 . 1 29 29 LEU HD13 H 1 0.666 0.006 . 2 . . . . . 29 LEU HD1 . 52953 1 250 . 1 . 1 29 29 LEU HD21 H 1 0.631 0.008 . 2 . . . . . 29 LEU HD2 . 52953 1 251 . 1 . 1 29 29 LEU HD22 H 1 0.631 0.008 . 2 . . . . . 29 LEU HD2 . 52953 1 252 . 1 . 1 29 29 LEU HD23 H 1 0.631 0.008 . 2 . . . . . 29 LEU HD2 . 52953 1 253 . 1 . 1 29 29 LEU C C 13 175.995 0.026 . 1 . . . . . 29 LEU C . 52953 1 254 . 1 . 1 29 29 LEU CA C 13 53.569 0.097 . 1 . . . . . 29 LEU CA . 52953 1 255 . 1 . 1 29 29 LEU CB C 13 45.779 0.097 . 1 . . . . . 29 LEU CB . 52953 1 256 . 1 . 1 29 29 LEU CG C 13 28.259 0.083 . 1 . . . . . 29 LEU CG . 52953 1 257 . 1 . 1 29 29 LEU CD1 C 13 25.821 0.200 . 2 . . . . . 29 LEU CD1 . 52953 1 258 . 1 . 1 29 29 LEU CD2 C 13 24.722 0.053 . 2 . . . . . 29 LEU CD2 . 52953 1 259 . 1 . 1 29 29 LEU N N 15 128.425 0.044 . 1 . . . . . 29 LEU N . 52953 1 260 . 1 . 1 30 30 PHE H H 1 9.100 0.009 . 1 . . . . . 30 PHE H . 52953 1 261 . 1 . 1 30 30 PHE HA H 1 5.113 0.011 . 1 . . . . . 30 PHE HA . 52953 1 262 . 1 . 1 30 30 PHE HB2 H 1 2.372 0.008 . 2 . . . . . 30 PHE HB2 . 52953 1 263 . 1 . 1 30 30 PHE HB3 H 1 2.161 0.010 . 2 . . . . . 30 PHE HB3 . 52953 1 264 . 1 . 1 30 30 PHE HD1 H 1 5.983 0.006 . 1 . . . . . 30 PHE HD1 . 52953 1 265 . 1 . 1 30 30 PHE HD2 H 1 5.983 0.006 . 1 . . . . . 30 PHE HD2 . 52953 1 266 . 1 . 1 30 30 PHE HE1 H 1 6.541 0.010 . 1 . . . . . 30 PHE HE1 . 52953 1 267 . 1 . 1 30 30 PHE HE2 H 1 6.541 0.01 . 1 . . . . . 30 PHE HE2 . 52953 1 268 . 1 . 1 30 30 PHE HZ H 1 6.403 0.009 . 1 . . . . . 30 PHE HZ . 52953 1 269 . 1 . 1 30 30 PHE C C 13 174.710 0.022 . 1 . . . . . 30 PHE C . 52953 1 270 . 1 . 1 30 30 PHE CA C 13 56.304 0.057 . 1 . . . . . 30 PHE CA . 52953 1 271 . 1 . 1 30 30 PHE CB C 13 43.620 0.076 . 1 . . . . . 30 PHE CB . 52953 1 272 . 1 . 1 30 30 PHE CD1 C 13 131.763 0.020 . 1 . . . . . 30 PHE CD1 . 52953 1 273 . 1 . 1 30 30 PHE CD2 C 13 131.763 0.02 . 1 . . . . . 30 PHE CD2 . 52953 1 274 . 1 . 1 30 30 PHE CE1 C 13 130.125 0.006 . 1 . . . . . 30 PHE CE1 . 52953 1 275 . 1 . 1 30 30 PHE CE2 C 13 130.125 0.006 . 1 . . . . . 30 PHE CE2 . 52953 1 276 . 1 . 1 30 30 PHE CZ C 13 128.342 0.031 . 1 . . . . . 30 PHE CZ . 52953 1 277 . 1 . 1 30 30 PHE N N 15 124.294 0.028 . 1 . . . . . 30 PHE N . 52953 1 278 . 1 . 1 31 31 SER H H 1 7.819 0.010 . 1 . . . . . 31 SER H . 52953 1 279 . 1 . 1 31 31 SER HA H 1 4.402 0.009 . 1 . . . . . 31 SER HA . 52953 1 280 . 1 . 1 31 31 SER HB2 H 1 3.724 0.007 . 1 . . . . . 31 SER HB2 . 52953 1 281 . 1 . 1 31 31 SER HB3 H 1 3.307 0.005 . 1 . . . . . 31 SER HB3 . 52953 1 282 . 1 . 1 31 31 SER C C 13 170.551 0.017 . 1 . . . . . 31 SER C . 52953 1 283 . 1 . 1 31 31 SER CA C 13 57.038 0.206 . 1 . . . . . 31 SER CA . 52953 1 284 . 1 . 1 31 31 SER CB C 13 66.060 0.145 . 1 . . . . . 31 SER CB . 52953 1 285 . 1 . 1 31 31 SER N N 15 121.907 0.041 . 1 . . . . . 31 SER N . 52953 1 286 . 1 . 1 32 32 ALA H H 1 7.826 0.005 . 1 . . . . . 32 ALA H . 52953 1 287 . 1 . 1 32 32 ALA HA H 1 3.592 0.006 . 1 . . . . . 32 ALA HA . 52953 1 288 . 1 . 1 32 32 ALA HB1 H 1 1.478 0.007 . 1 . . . . . 32 ALA HB . 52953 1 289 . 1 . 1 32 32 ALA HB2 H 1 1.478 0.007 . 1 . . . . . 32 ALA HB . 52953 1 290 . 1 . 1 32 32 ALA HB3 H 1 1.478 0.007 . 1 . . . . . 32 ALA HB . 52953 1 291 . 1 . 1 32 32 ALA C C 13 176.771 0.000 . 1 . . . . . 32 ALA C . 52953 1 292 . 1 . 1 32 32 ALA CA C 13 51.855 0.044 . 1 . . . . . 32 ALA CA . 52953 1 293 . 1 . 1 32 32 ALA CB C 13 18.416 0.028 . 1 . . . . . 32 ALA CB . 52953 1 294 . 1 . 1 32 32 ALA N N 15 125.429 0.034 . 1 . . . . . 32 ALA N . 52953 1 295 . 1 . 1 33 33 PRO HA H 1 4.433 0.007 . 1 . . . . . 33 PRO HA . 52953 1 296 . 1 . 1 33 33 PRO HB2 H 1 2.179 0.007 . 2 . . . . . 33 PRO HB2 . 52953 1 297 . 1 . 1 33 33 PRO HB3 H 1 2.556 0.012 . 2 . . . . . 33 PRO HB3 . 52953 1 298 . 1 . 1 33 33 PRO HG2 H 1 1.904 0.008 . 2 . . . . . 33 PRO HG2 . 52953 1 299 . 1 . 1 33 33 PRO HG3 H 1 2.007 0.011 . 2 . . . . . 33 PRO HG3 . 52953 1 300 . 1 . 1 33 33 PRO HD2 H 1 3.691 0.010 . 2 . . . . . 33 PRO HD2 . 52953 1 301 . 1 . 1 33 33 PRO HD3 H 1 3.477 0.010 . 2 . . . . . 33 PRO HD3 . 52953 1 302 . 1 . 1 33 33 PRO C C 13 177.015 0.019 . 1 . . . . . 33 PRO C . 52953 1 303 . 1 . 1 33 33 PRO CA C 13 65.448 0.117 . 1 . . . . . 33 PRO CA . 52953 1 304 . 1 . 1 33 33 PRO CB C 13 35.593 0.074 . 1 . . . . . 33 PRO CB . 52953 1 305 . 1 . 1 33 33 PRO CG C 13 25.472 0.095 . 1 . . . . . 33 PRO CG . 52953 1 306 . 1 . 1 33 33 PRO CD C 13 51.356 0.138 . 1 . . . . . 33 PRO CD . 52953 1 307 . 1 . 1 34 34 ALA H H 1 8.143 0.007 . 1 . . . . . 34 ALA H . 52953 1 308 . 1 . 1 34 34 ALA HA H 1 4.703 0.009 . 1 . . . . . 34 ALA HA . 52953 1 309 . 1 . 1 34 34 ALA HB1 H 1 1.455 0.009 . 1 . . . . . 34 ALA HB . 52953 1 310 . 1 . 1 34 34 ALA HB2 H 1 1.455 0.009 . 1 . . . . . 34 ALA HB . 52953 1 311 . 1 . 1 34 34 ALA HB3 H 1 1.455 0.009 . 1 . . . . . 34 ALA HB . 52953 1 312 . 1 . 1 34 34 ALA C C 13 175.344 0.009 . 1 . . . . . 34 ALA C . 52953 1 313 . 1 . 1 34 34 ALA CA C 13 53.435 0.080 . 1 . . . . . 34 ALA CA . 52953 1 314 . 1 . 1 34 34 ALA CB C 13 20.481 0.078 . 1 . . . . . 34 ALA CB . 52953 1 315 . 1 . 1 34 34 ALA N N 15 124.032 0.041 . 1 . . . . . 34 ALA N . 52953 1 316 . 1 . 1 35 35 SER H H 1 8.010 0.004 . 1 . . . . . 35 SER H . 52953 1 317 . 1 . 1 35 35 SER HA H 1 4.745 0.015 . 1 . . . . . 35 SER HA . 52953 1 318 . 1 . 1 35 35 SER HB2 H 1 3.690 0.007 . 2 . . . . . 35 SER HB2 . 52953 1 319 . 1 . 1 35 35 SER HB3 H 1 3.642 0.015 . 2 . . . . . 35 SER HB3 . 52953 1 320 . 1 . 1 35 35 SER C C 13 172.219 0.115 . 1 . . . . . 35 SER C . 52953 1 321 . 1 . 1 35 35 SER CA C 13 58.626 0.149 . 1 . . . . . 35 SER CA . 52953 1 322 . 1 . 1 35 35 SER CB C 13 64.201 0.196 . 1 . . . . . 35 SER CB . 52953 1 323 . 1 . 1 35 35 SER N N 15 116.454 0.032 . 1 . . . . . 35 SER N . 52953 1 324 . 1 . 1 36 36 TYR H H 1 8.673 0.004 . 1 . . . . . 36 TYR H . 52953 1 325 . 1 . 1 36 36 TYR HA H 1 5.094 0.012 . 1 . . . . . 36 TYR HA . 52953 1 326 . 1 . 1 36 36 TYR HB2 H 1 3.072 0.006 . 1 . . . . . 36 TYR HB2 . 52953 1 327 . 1 . 1 36 36 TYR HB3 H 1 2.501 0.007 . 1 . . . . . 36 TYR HB3 . 52953 1 328 . 1 . 1 36 36 TYR HD1 H 1 6.947 0.003 . 1 . . . . . 36 TYR HD1 . 52953 1 329 . 1 . 1 36 36 TYR HD2 H 1 6.947 0.003 . 1 . . . . . 36 TYR HD2 . 52953 1 330 . 1 . 1 36 36 TYR HE1 H 1 6.524 0.006 . 1 . . . . . 36 TYR HE1 . 52953 1 331 . 1 . 1 36 36 TYR HE2 H 1 6.524 0.006 . 1 . . . . . 36 TYR HE2 . 52953 1 332 . 1 . 1 36 36 TYR C C 13 175.528 0.028 . 1 . . . . . 36 TYR C . 52953 1 333 . 1 . 1 36 36 TYR CA C 13 57.714 0.208 . 1 . . . . . 36 TYR CA . 52953 1 334 . 1 . 1 36 36 TYR CB C 13 41.586 0.113 . 1 . . . . . 36 TYR CB . 52953 1 335 . 1 . 1 36 36 TYR CD1 C 13 132.844 0.048 . 1 . . . . . 36 TYR CD1 . 52953 1 336 . 1 . 1 36 36 TYR CD2 C 13 132.844 0.048 . 1 . . . . . 36 TYR CD2 . 52953 1 337 . 1 . 1 36 36 TYR CE1 C 13 118.492 0.012 . 1 . . . . . 36 TYR CE1 . 52953 1 338 . 1 . 1 36 36 TYR CE2 C 13 118.492 0.012 . 1 . . . . . 36 TYR CE2 . 52953 1 339 . 1 . 1 36 36 TYR N N 15 124.522 0.033 . 1 . . . . . 36 TYR N . 52953 1 340 . 1 . 1 37 37 GLU H H 1 9.139 0.005 . 1 . . . . . 37 GLU H . 52953 1 341 . 1 . 1 37 37 GLU HA H 1 5.007 0.008 . 1 . . . . . 37 GLU HA . 52953 1 342 . 1 . 1 37 37 GLU HB2 H 1 1.802 0.007 . 2 . . . . . 37 GLU HB2 . 52953 1 343 . 1 . 1 37 37 GLU HB3 H 1 1.663 0.010 . 2 . . . . . 37 GLU HB3 . 52953 1 344 . 1 . 1 37 37 GLU HG2 H 1 1.964 0.010 . 2 . . . . . 37 GLU HG1 . 52953 1 345 . 1 . 1 37 37 GLU C C 13 174.512 0.026 . 1 . . . . . 37 GLU C . 52953 1 346 . 1 . 1 37 37 GLU CA C 13 55.054 0.108 . 1 . . . . . 37 GLU CA . 52953 1 347 . 1 . 1 37 37 GLU CB C 13 36.221 0.132 . 1 . . . . . 37 GLU CB . 52953 1 348 . 1 . 1 37 37 GLU CG C 13 38.355 0.127 . 1 . . . . . 37 GLU CG . 52953 1 349 . 1 . 1 37 37 GLU N N 15 124.402 0.034 . 1 . . . . . 37 GLU N . 52953 1 350 . 1 . 1 38 38 VAL H H 1 9.819 0.003 . 1 . . . . . 38 VAL H . 52953 1 351 . 1 . 1 38 38 VAL HA H 1 4.873 0.004 . 1 . . . . . 38 VAL HA . 52953 1 352 . 1 . 1 38 38 VAL HB H 1 1.668 0.006 . 1 . . . . . 38 VAL HB . 52953 1 353 . 1 . 1 38 38 VAL HG11 H 1 0.011 0.004 . 2 . . . . . 38 VAL HG1 . 52953 1 354 . 1 . 1 38 38 VAL HG12 H 1 0.011 0.004 . 2 . . . . . 38 VAL HG1 . 52953 1 355 . 1 . 1 38 38 VAL HG13 H 1 0.011 0.004 . 2 . . . . . 38 VAL HG1 . 52953 1 356 . 1 . 1 38 38 VAL HG21 H 1 0.594 0.011 . 2 . . . . . 38 VAL HG2 . 52953 1 357 . 1 . 1 38 38 VAL HG22 H 1 0.594 0.011 . 2 . . . . . 38 VAL HG2 . 52953 1 358 . 1 . 1 38 38 VAL HG23 H 1 0.594 0.011 . 2 . . . . . 38 VAL HG2 . 52953 1 359 . 1 . 1 38 38 VAL C C 13 175.942 0.014 . 1 . . . . . 38 VAL C . 52953 1 360 . 1 . 1 38 38 VAL CA C 13 60.828 0.106 . 1 . . . . . 38 VAL CA . 52953 1 361 . 1 . 1 38 38 VAL CB C 13 35.732 0.130 . 1 . . . . . 38 VAL CB . 52953 1 362 . 1 . 1 38 38 VAL CG1 C 13 22.429 0.075 . 1 . . . . . 38 VAL CG1 . 52953 1 363 . 1 . 1 38 38 VAL CG2 C 13 23.395 0.078 . 1 . . . . . 38 VAL CG2 . 52953 1 364 . 1 . 1 38 38 VAL N N 15 119.880 0.029 . 1 . . . . . 38 VAL N . 52953 1 365 . 1 . 1 39 39 SER H H 1 9.056 0.004 . 1 . . . . . 39 SER H . 52953 1 366 . 1 . 1 39 39 SER HA H 1 4.646 0.010 . 1 . . . . . 39 SER HA . 52953 1 367 . 1 . 1 39 39 SER HB2 H 1 3.893 0.011 . 1 . . . . . 39 SER HB2 . 52953 1 368 . 1 . 1 39 39 SER HB3 H 1 3.565 0.009 . 1 . . . . . 39 SER HB3 . 52953 1 369 . 1 . 1 39 39 SER C C 13 173.789 0.000 . 1 . . . . . 39 SER C . 52953 1 370 . 1 . 1 39 39 SER CA C 13 57.258 0.116 . 1 . . . . . 39 SER CA . 52953 1 371 . 1 . 1 39 39 SER CB C 13 64.109 0.077 . 1 . . . . . 39 SER CB . 52953 1 372 . 1 . 1 39 39 SER N N 15 122.071 0.054 . 1 . . . . . 39 SER N . 52953 1 373 . 1 . 1 40 40 CYS H H 1 8.753 0.006 . 1 . . . . . 40 CYS H . 52953 1 374 . 1 . 1 40 40 CYS HA H 1 4.396 0.007 . 1 . . . . . 40 CYS HA . 52953 1 375 . 1 . 1 40 40 CYS HB2 H 1 2.755 0.009 . 1 . . . . . 40 CYS HB2 . 52953 1 376 . 1 . 1 40 40 CYS HB3 H 1 3.563 0.010 . 1 . . . . . 40 CYS HB3 . 52953 1 377 . 1 . 1 40 40 CYS C C 13 175.605 0.085 . 1 . . . . . 40 CYS C . 52953 1 378 . 1 . 1 40 40 CYS CA C 13 62.065 0.098 . 1 . . . . . 40 CYS CA . 52953 1 379 . 1 . 1 40 40 CYS CB C 13 30.600 0.093 . 1 . . . . . 40 CYS CB . 52953 1 380 . 1 . 1 40 40 CYS N N 15 131.669 0.041 . 1 . . . . . 40 CYS N . 52953 1 381 . 1 . 1 41 41 LEU H H 1 9.041 0.004 . 1 . . . . . 41 LEU H . 52953 1 382 . 1 . 1 41 41 LEU HA H 1 4.569 0.006 . 1 . . . . . 41 LEU HA . 52953 1 383 . 1 . 1 41 41 LEU HB2 H 1 1.582 0.013 . 2 . . . . . 41 LEU HB2 . 52953 1 384 . 1 . 1 41 41 LEU HB3 H 1 1.301 0.017 . 2 . . . . . 41 LEU HB3 . 52953 1 385 . 1 . 1 41 41 LEU HG H 1 1.367 0.004 . 1 . . . . . 41 LEU HG . 52953 1 386 . 1 . 1 41 41 LEU HD11 H 1 0.834 0.003 . 2 . . . . . 41 LEU HD1 . 52953 1 387 . 1 . 1 41 41 LEU HD12 H 1 0.834 0.003 . 2 . . . . . 41 LEU HD1 . 52953 1 388 . 1 . 1 41 41 LEU HD13 H 1 0.834 0.003 . 2 . . . . . 41 LEU HD1 . 52953 1 389 . 1 . 1 41 41 LEU HD21 H 1 0.705 0.006 . 2 . . . . . 41 LEU HD2 . 52953 1 390 . 1 . 1 41 41 LEU HD22 H 1 0.705 0.006 . 2 . . . . . 41 LEU HD2 . 52953 1 391 . 1 . 1 41 41 LEU HD23 H 1 0.705 0.006 . 2 . . . . . 41 LEU HD2 . 52953 1 392 . 1 . 1 41 41 LEU C C 13 177.667 0.003 . 1 . . . . . 41 LEU C . 52953 1 393 . 1 . 1 41 41 LEU CA C 13 56.430 0.115 . 1 . . . . . 41 LEU CA . 52953 1 394 . 1 . 1 41 41 LEU CB C 13 43.216 0.124 . 1 . . . . . 41 LEU CB . 52953 1 395 . 1 . 1 41 41 LEU CG C 13 28.411 0.012 . 1 . . . . . 41 LEU CG . 52953 1 396 . 1 . 1 41 41 LEU CD1 C 13 23.448 0.060 . 2 . . . . . 41 LEU CD1 . 52953 1 397 . 1 . 1 41 41 LEU CD2 C 13 26.188 0.059 . 2 . . . . . 41 LEU CD2 . 52953 1 398 . 1 . 1 41 41 LEU N N 15 126.595 0.042 . 1 . . . . . 41 LEU N . 52953 1 399 . 1 . 1 42 42 LEU H H 1 9.222 0.005 . 1 . . . . . 42 LEU H . 52953 1 400 . 1 . 1 42 42 LEU HA H 1 4.412 0.008 . 1 . . . . . 42 LEU HA . 52953 1 401 . 1 . 1 42 42 LEU HB2 H 1 1.072 0.011 . 1 . . . . . 42 LEU HB2 . 52953 1 402 . 1 . 1 42 42 LEU HB3 H 1 0.568 0.005 . 1 . . . . . 42 LEU HB3 . 52953 1 403 . 1 . 1 42 42 LEU HG H 1 1.629 0.003 . 1 . . . . . 42 LEU HG . 52953 1 404 . 1 . 1 42 42 LEU HD11 H 1 0.846 0.007 . 2 . . . . . 42 LEU HD1 . 52953 1 405 . 1 . 1 42 42 LEU HD12 H 1 0.846 0.007 . 2 . . . . . 42 LEU HD1 . 52953 1 406 . 1 . 1 42 42 LEU HD13 H 1 0.846 0.007 . 2 . . . . . 42 LEU HD1 . 52953 1 407 . 1 . 1 42 42 LEU HD21 H 1 0.779 0.005 . 2 . . . . . 42 LEU HD2 . 52953 1 408 . 1 . 1 42 42 LEU HD22 H 1 0.779 0.005 . 2 . . . . . 42 LEU HD2 . 52953 1 409 . 1 . 1 42 42 LEU HD23 H 1 0.779 0.005 . 2 . . . . . 42 LEU HD2 . 52953 1 410 . 1 . 1 42 42 LEU C C 13 176.419 0.027 . 1 . . . . . 42 LEU C . 52953 1 411 . 1 . 1 42 42 LEU CA C 13 56.710 0.093 . 1 . . . . . 42 LEU CA . 52953 1 412 . 1 . 1 42 42 LEU CB C 13 42.011 0.107 . 1 . . . . . 42 LEU CB . 52953 1 413 . 1 . 1 42 42 LEU CG C 13 29.375 0.080 . 1 . . . . . 42 LEU CG . 52953 1 414 . 1 . 1 42 42 LEU CD1 C 13 26.996 0.082 . 2 . . . . . 42 LEU CD1 . 52953 1 415 . 1 . 1 42 42 LEU CD2 C 13 24.395 0.120 . 2 . . . . . 42 LEU CD2 . 52953 1 416 . 1 . 1 42 42 LEU N N 15 122.361 0.037 . 1 . . . . . 42 LEU N . 52953 1 417 . 1 . 1 43 43 CYS H H 1 7.769 0.005 . 1 . . . . . 43 CYS H . 52953 1 418 . 1 . 1 43 43 CYS HA H 1 4.886 0.010 . 1 . . . . . 43 CYS HA . 52953 1 419 . 1 . 1 43 43 CYS HB2 H 1 3.339 0.018 . 2 . . . . . 43 CYS HB1 . 52953 1 420 . 1 . 1 43 43 CYS C C 13 172.938 0.028 . 1 . . . . . 43 CYS C . 52953 1 421 . 1 . 1 43 43 CYS CA C 13 59.269 0.142 . 1 . . . . . 43 CYS CA . 52953 1 422 . 1 . 1 43 43 CYS CB C 13 31.648 0.000 . 1 . . . . . 43 CYS CB . 52953 1 423 . 1 . 1 43 43 CYS N N 15 117.543 0.043 . 1 . . . . . 43 CYS N . 52953 1 424 . 1 . 1 44 44 ASP H H 1 8.079 0.003 . 1 . . . . . 44 ASP H . 52953 1 425 . 1 . 1 44 44 ASP HA H 1 4.763 0.012 . 1 . . . . . 44 ASP HA . 52953 1 426 . 1 . 1 44 44 ASP HB2 H 1 2.891 0.008 . 2 . . . . . 44 ASP HB2 . 52953 1 427 . 1 . 1 44 44 ASP HB3 H 1 2.856 0.006 . 2 . . . . . 44 ASP HB3 . 52953 1 428 . 1 . 1 44 44 ASP C C 13 176.525 0.010 . 1 . . . . . 44 ASP C . 52953 1 429 . 1 . 1 44 44 ASP CA C 13 55.319 0.095 . 1 . . . . . 44 ASP CA . 52953 1 430 . 1 . 1 44 44 ASP CB C 13 41.269 0.094 . 1 . . . . . 44 ASP CB . 52953 1 431 . 1 . 1 44 44 ASP N N 15 116.475 0.033 . 1 . . . . . 44 ASP N . 52953 1 432 . 1 . 1 45 45 GLN H H 1 8.366 0.003 . 1 . . . . . 45 GLN H . 52953 1 433 . 1 . 1 45 45 GLN HA H 1 4.294 0.006 . 1 . . . . . 45 GLN HA . 52953 1 434 . 1 . 1 45 45 GLN HB2 H 1 1.764 0.006 . 2 . . . . . 45 GLN HB1 . 52953 1 435 . 1 . 1 45 45 GLN HG2 H 1 2.442 0.005 . 2 . . . . . 45 GLN HG2 . 52953 1 436 . 1 . 1 45 45 GLN HG3 H 1 2.526 0.007 . 2 . . . . . 45 GLN HG3 . 52953 1 437 . 1 . 1 45 45 GLN HE21 H 1 7.636 0.002 . 2 . . . . . 45 GLN HE21 . 52953 1 438 . 1 . 1 45 45 GLN HE22 H 1 6.813 0.005 . 2 . . . . . 45 GLN HE22 . 52953 1 439 . 1 . 1 45 45 GLN C C 13 174.310 0.031 . 1 . . . . . 45 GLN C . 52953 1 440 . 1 . 1 45 45 GLN CA C 13 57.879 0.085 . 1 . . . . . 45 GLN CA . 52953 1 441 . 1 . 1 45 45 GLN CB C 13 31.997 0.097 . 1 . . . . . 45 GLN CB . 52953 1 442 . 1 . 1 45 45 GLN CG C 13 36.174 0.062 . 1 . . . . . 45 GLN CG . 52953 1 443 . 1 . 1 45 45 GLN N N 15 120.866 0.031 . 1 . . . . . 45 GLN N . 52953 1 444 . 1 . 1 45 45 GLN NE2 N 15 112.680 0.071 . 1 . . . . . 45 GLN NE2 . 52953 1 445 . 1 . 1 46 46 ARG H H 1 8.341 0.008 . 1 . . . . . 46 ARG H . 52953 1 446 . 1 . 1 46 46 ARG HA H 1 5.304 0.009 . 1 . . . . . 46 ARG HA . 52953 1 447 . 1 . 1 46 46 ARG HB2 H 1 1.673 0.008 . 2 . . . . . 46 ARG HB1 . 52953 1 448 . 1 . 1 46 46 ARG HG2 H 1 1.345 0.008 . 2 . . . . . 46 ARG HG1 . 52953 1 449 . 1 . 1 46 46 ARG HD2 H 1 3.058 0.005 . 2 . . . . . 46 ARG HD2 . 52953 1 450 . 1 . 1 46 46 ARG HD3 H 1 2.976 0.006 . 2 . . . . . 46 ARG HD3 . 52953 1 451 . 1 . 1 46 46 ARG C C 13 175.050 0.035 . 1 . . . . . 46 ARG C . 52953 1 452 . 1 . 1 46 46 ARG CA C 13 55.598 0.146 . 1 . . . . . 46 ARG CA . 52953 1 453 . 1 . 1 46 46 ARG CB C 13 33.052 0.085 . 1 . . . . . 46 ARG CB . 52953 1 454 . 1 . 1 46 46 ARG CG C 13 28.402 0.075 . 1 . . . . . 46 ARG CG . 52953 1 455 . 1 . 1 46 46 ARG CD C 13 44.519 0.108 . 1 . . . . . 46 ARG CD . 52953 1 456 . 1 . 1 46 46 ARG N N 15 122.336 0.037 . 1 . . . . . 46 ARG N . 52953 1 457 . 1 . 1 47 47 LEU H H 1 8.947 0.005 . 1 . . . . . 47 LEU H . 52953 1 458 . 1 . 1 47 47 LEU HA H 1 5.047 0.008 . 1 . . . . . 47 LEU HA . 52953 1 459 . 1 . 1 47 47 LEU HB2 H 1 1.669 0.012 . 1 . . . . . 47 LEU HB2 . 52953 1 460 . 1 . 1 47 47 LEU HB3 H 1 1.763 0.010 . 1 . . . . . 47 LEU HB3 . 52953 1 461 . 1 . 1 47 47 LEU HG H 1 1.574 0.012 . 1 . . . . . 47 LEU HG . 52953 1 462 . 1 . 1 47 47 LEU HD11 H 1 0.752 0.011 . 2 . . . . . 47 LEU HD1 . 52953 1 463 . 1 . 1 47 47 LEU HD12 H 1 0.752 0.011 . 2 . . . . . 47 LEU HD1 . 52953 1 464 . 1 . 1 47 47 LEU HD13 H 1 0.752 0.011 . 2 . . . . . 47 LEU HD1 . 52953 1 465 . 1 . 1 47 47 LEU HD21 H 1 0.409 0.006 . 2 . . . . . 47 LEU HD2 . 52953 1 466 . 1 . 1 47 47 LEU HD22 H 1 0.409 0.006 . 2 . . . . . 47 LEU HD2 . 52953 1 467 . 1 . 1 47 47 LEU HD23 H 1 0.409 0.006 . 2 . . . . . 47 LEU HD2 . 52953 1 468 . 1 . 1 47 47 LEU C C 13 173.243 0.000 . 1 . . . . . 47 LEU C . 52953 1 469 . 1 . 1 47 47 LEU CA C 13 52.574 0.070 . 1 . . . . . 47 LEU CA . 52953 1 470 . 1 . 1 47 47 LEU CB C 13 43.300 0.083 . 1 . . . . . 47 LEU CB . 52953 1 471 . 1 . 1 47 47 LEU CG C 13 28.943 0.121 . 1 . . . . . 47 LEU CG . 52953 1 472 . 1 . 1 47 47 LEU CD1 C 13 25.505 0.038 . 2 . . . . . 47 LEU CD1 . 52953 1 473 . 1 . 1 47 47 LEU CD2 C 13 25.308 0.052 . 2 . . . . . 47 LEU CD2 . 52953 1 474 . 1 . 1 47 47 LEU N N 15 127.684 0.032 . 1 . . . . . 47 LEU N . 52953 1 475 . 1 . 1 48 48 PRO HA H 1 4.661 0.009 . 1 . . . . . 48 PRO HA . 52953 1 476 . 1 . 1 48 48 PRO HB2 H 1 2.035 0.010 . 2 . . . . . 48 PRO HB2 . 52953 1 477 . 1 . 1 48 48 PRO HB3 H 1 2.544 0.006 . 2 . . . . . 48 PRO HB3 . 52953 1 478 . 1 . 1 48 48 PRO HG2 H 1 2.109 0.007 . 2 . . . . . 48 PRO HG1 . 52953 1 479 . 1 . 1 48 48 PRO HD2 H 1 3.774 0.004 . 2 . . . . . 48 PRO HD2 . 52953 1 480 . 1 . 1 48 48 PRO HD3 H 1 3.625 0.007 . 2 . . . . . 48 PRO HD3 . 52953 1 481 . 1 . 1 48 48 PRO C C 13 178.109 0.015 . 1 . . . . . 48 PRO C . 52953 1 482 . 1 . 1 48 48 PRO CA C 13 64.028 0.099 . 1 . . . . . 48 PRO CA . 52953 1 483 . 1 . 1 48 48 PRO CB C 13 32.805 0.078 . 1 . . . . . 48 PRO CB . 52953 1 484 . 1 . 1 48 48 PRO CG C 13 28.989 0.095 . 1 . . . . . 48 PRO CG . 52953 1 485 . 1 . 1 48 48 PRO CD C 13 51.254 0.135 . 1 . . . . . 48 PRO CD . 52953 1 486 . 1 . 1 49 49 LEU H H 1 8.343 0.004 . 1 . . . . . 49 LEU H . 52953 1 487 . 1 . 1 49 49 LEU HA H 1 3.852 0.009 . 1 . . . . . 49 LEU HA . 52953 1 488 . 1 . 1 49 49 LEU HB2 H 1 1.297 0.020 . 1 . . . . . 49 LEU HB2 . 52953 1 489 . 1 . 1 49 49 LEU HB3 H 1 1.851 0.005 . 1 . . . . . 49 LEU HB3 . 52953 1 490 . 1 . 1 49 49 LEU HG H 1 1.855 0.006 . 1 . . . . . 49 LEU HG . 52953 1 491 . 1 . 1 49 49 LEU HD11 H 1 0.741 0.004 . 2 . . . . . 49 LEU HD1 . 52953 1 492 . 1 . 1 49 49 LEU HD12 H 1 0.741 0.004 . 2 . . . . . 49 LEU HD1 . 52953 1 493 . 1 . 1 49 49 LEU HD13 H 1 0.741 0.004 . 2 . . . . . 49 LEU HD1 . 52953 1 494 . 1 . 1 49 49 LEU HD21 H 1 0.811 0.014 . 2 . . . . . 49 LEU HD2 . 52953 1 495 . 1 . 1 49 49 LEU HD22 H 1 0.811 0.014 . 2 . . . . . 49 LEU HD2 . 52953 1 496 . 1 . 1 49 49 LEU HD23 H 1 0.811 0.014 . 2 . . . . . 49 LEU HD2 . 52953 1 497 . 1 . 1 49 49 LEU C C 13 178.219 0.053 . 1 . . . . . 49 LEU C . 52953 1 498 . 1 . 1 49 49 LEU CA C 13 60.770 0.154 . 1 . . . . . 49 LEU CA . 52953 1 499 . 1 . 1 49 49 LEU CB C 13 43.709 0.169 . 1 . . . . . 49 LEU CB . 52953 1 500 . 1 . 1 49 49 LEU CG C 13 31.511 0.033 . 1 . . . . . 49 LEU CG . 52953 1 501 . 1 . 1 49 49 LEU CD1 C 13 26.806 0.111 . 2 . . . . . 49 LEU CD1 . 52953 1 502 . 1 . 1 49 49 LEU CD2 C 13 26.357 0.084 . 2 . . . . . 49 LEU CD2 . 52953 1 503 . 1 . 1 49 49 LEU N N 15 125.445 0.050 . 1 . . . . . 49 LEU N . 52953 1 504 . 1 . 1 50 50 ASP H H 1 8.620 0.003 . 1 . . . . . 50 ASP H . 52953 1 505 . 1 . 1 50 50 ASP HA H 1 4.300 0.009 . 1 . . . . . 50 ASP HA . 52953 1 506 . 1 . 1 50 50 ASP HB2 H 1 2.696 0.012 . 2 . . . . . 50 ASP HB1 . 52953 1 507 . 1 . 1 50 50 ASP C C 13 177.497 0.026 . 1 . . . . . 50 ASP C . 52953 1 508 . 1 . 1 50 50 ASP CA C 13 56.554 0.088 . 1 . . . . . 50 ASP CA . 52953 1 509 . 1 . 1 50 50 ASP CB C 13 41.028 0.091 . 1 . . . . . 50 ASP CB . 52953 1 510 . 1 . 1 50 50 ASP N N 15 112.984 0.028 . 1 . . . . . 50 ASP N . 52953 1 511 . 1 . 1 51 51 GLY H H 1 7.836 0.006 . 1 . . . . . 51 GLY H . 52953 1 512 . 1 . 1 51 51 GLY HA2 H 1 4.501 0.009 . 1 . . . . . 51 GLY HA2 . 52953 1 513 . 1 . 1 51 51 GLY HA3 H 1 3.670 0.017 . 1 . . . . . 51 GLY HA3 . 52953 1 514 . 1 . 1 51 51 GLY C C 13 175.155 0.012 . 1 . . . . . 51 GLY C . 52953 1 515 . 1 . 1 51 51 GLY CA C 13 45.434 0.055 . 1 . . . . . 51 GLY CA . 52953 1 516 . 1 . 1 51 51 GLY N N 15 105.797 0.044 . 1 . . . . . 51 GLY N . 52953 1 517 . 1 . 1 52 52 TYR H H 1 7.987 0.005 . 1 . . . . . 52 TYR H . 52953 1 518 . 1 . 1 52 52 TYR HA H 1 4.064 0.010 . 1 . . . . . 52 TYR HA . 52953 1 519 . 1 . 1 52 52 TYR HB2 H 1 2.906 0.014 . 2 . . . . . 52 TYR HB1 . 52953 1 520 . 1 . 1 52 52 TYR HD1 H 1 7.104 0.000 . 1 . . . . . 52 TYR HD1 . 52953 1 521 . 1 . 1 52 52 TYR HD2 H 1 7.104 0.0 . 1 . . . . . 52 TYR HD2 . 52953 1 522 . 1 . 1 52 52 TYR HE1 H 1 6.906 0.000 . 1 . . . . . 52 TYR HE1 . 52953 1 523 . 1 . 1 52 52 TYR HE2 H 1 6.906 0.0 . 1 . . . . . 52 TYR HE2 . 52953 1 524 . 1 . 1 52 52 TYR C C 13 172.275 0.000 . 1 . . . . . 52 TYR C . 52953 1 525 . 1 . 1 52 52 TYR CA C 13 65.776 0.075 . 1 . . . . . 52 TYR CA . 52953 1 526 . 1 . 1 52 52 TYR CB C 13 38.023 0.043 . 1 . . . . . 52 TYR CB . 52953 1 527 . 1 . 1 52 52 TYR CD1 C 13 129.342 0.000 . 1 . . . . . 52 TYR CD1 . 52953 1 528 . 1 . 1 52 52 TYR CD2 C 13 129.342 0.0 . 1 . . . . . 52 TYR CD2 . 52953 1 529 . 1 . 1 52 52 TYR CE1 C 13 118.041 0.000 . 1 . . . . . 52 TYR CE1 . 52953 1 530 . 1 . 1 52 52 TYR CE2 C 13 118.041 0.0 . 1 . . . . . 52 TYR CE2 . 52953 1 531 . 1 . 1 52 52 TYR N N 15 123.128 0.109 . 1 . . . . . 52 TYR N . 52953 1 532 . 1 . 1 53 53 PRO HA H 1 3.605 0.009 . 1 . . . . . 53 PRO HA . 52953 1 533 . 1 . 1 53 53 PRO HB2 H 1 1.646 0.021 . 2 . . . . . 53 PRO HB2 . 52953 1 534 . 1 . 1 53 53 PRO HB3 H 1 1.729 0.006 . 2 . . . . . 53 PRO HB3 . 52953 1 535 . 1 . 1 53 53 PRO HG2 H 1 2.009 0.003 . 2 . . . . . 53 PRO HG2 . 52953 1 536 . 1 . 1 53 53 PRO HG3 H 1 0.769 0.012 . 2 . . . . . 53 PRO HG3 . 52953 1 537 . 1 . 1 53 53 PRO HD2 H 1 3.458 0.000 . 2 . . . . . 53 PRO HD2 . 52953 1 538 . 1 . 1 53 53 PRO HD3 H 1 3.131 0.012 . 2 . . . . . 53 PRO HD3 . 52953 1 539 . 1 . 1 53 53 PRO C C 13 177.804 0.000 . 1 . . . . . 53 PRO C . 52953 1 540 . 1 . 1 53 53 PRO CA C 13 67.714 0.094 . 1 . . . . . 53 PRO CA . 52953 1 541 . 1 . 1 53 53 PRO CB C 13 31.635 0.091 . 1 . . . . . 53 PRO CB . 52953 1 542 . 1 . 1 53 53 PRO CG C 13 29.996 0.109 . 1 . . . . . 53 PRO CG . 52953 1 543 . 1 . 1 53 53 PRO CD C 13 46.875 12.08 . 1 . . . . . 53 PRO CD . 52953 1 544 . 1 . 1 54 54 GLU H H 1 7.648 0.003 . 1 . . . . . 54 GLU H . 52953 1 545 . 1 . 1 54 54 GLU HA H 1 4.041 0.008 . 1 . . . . . 54 GLU HA . 52953 1 546 . 1 . 1 54 54 GLU HB2 H 1 1.985 0.017 . 1 . . . . . 54 GLU HB2 . 52953 1 547 . 1 . 1 54 54 GLU HB3 H 1 1.875 0.009 . 1 . . . . . 54 GLU HB3 . 52953 1 548 . 1 . 1 54 54 GLU HG2 H 1 2.216 0.008 . 2 . . . . . 54 GLU HG1 . 52953 1 549 . 1 . 1 54 54 GLU C C 13 177.840 0.023 . 1 . . . . . 54 GLU C . 52953 1 550 . 1 . 1 54 54 GLU CA C 13 59.917 0.150 . 1 . . . . . 54 GLU CA . 52953 1 551 . 1 . 1 54 54 GLU CB C 13 30.578 0.074 . 1 . . . . . 54 GLU CB . 52953 1 552 . 1 . 1 54 54 GLU CG C 13 37.078 0.082 . 1 . . . . . 54 GLU CG . 52953 1 553 . 1 . 1 54 54 GLU N N 15 115.850 0.031 . 1 . . . . . 54 GLU N . 52953 1 554 . 1 . 1 55 55 HIS H H 1 7.234 0.003 . 1 . . . . . 55 HIS H . 52953 1 555 . 1 . 1 55 55 HIS HA H 1 4.045 0.011 . 1 . . . . . 55 HIS HA . 52953 1 556 . 1 . 1 55 55 HIS HB2 H 1 3.221 0.012 . 1 . . . . . 55 HIS HB2 . 52953 1 557 . 1 . 1 55 55 HIS HB3 H 1 2.914 0.006 . 1 . . . . . 55 HIS HB3 . 52953 1 558 . 1 . 1 55 55 HIS HD2 H 1 6.646 0.004 . 1 . . . . . 55 HIS HD2 . 52953 1 559 . 1 . 1 55 55 HIS C C 13 175.739 0.035 . 1 . . . . . 55 HIS C . 52953 1 560 . 1 . 1 55 55 HIS CA C 13 60.361 0.085 . 1 . . . . . 55 HIS CA . 52953 1 561 . 1 . 1 55 55 HIS CB C 13 29.141 0.076 . 1 . . . . . 55 HIS CB . 52953 1 562 . 1 . 1 55 55 HIS CD2 C 13 126.967 0.000 . 1 . . . . . 55 HIS CD2 . 52953 1 563 . 1 . 1 55 55 HIS N N 15 117.227 0.031 . 1 . . . . . 55 HIS N . 52953 1 564 . 1 . 1 56 56 PHE H H 1 8.569 0.004 . 1 . . . . . 56 PHE H . 52953 1 565 . 1 . 1 56 56 PHE HA H 1 3.397 0.010 . 1 . . . . . 56 PHE HA . 52953 1 566 . 1 . 1 56 56 PHE HB2 H 1 3.454 0.014 . 1 . . . . . 56 PHE HB2 . 52953 1 567 . 1 . 1 56 56 PHE HB3 H 1 2.599 0.007 . 1 . . . . . 56 PHE HB3 . 52953 1 568 . 1 . 1 56 56 PHE HD1 H 1 7.108 0.003 . 1 . . . . . 56 PHE HD1 . 52953 1 569 . 1 . 1 56 56 PHE HD2 H 1 7.108 0.003 . 1 . . . . . 56 PHE HD2 . 52953 1 570 . 1 . 1 56 56 PHE HE1 H 1 6.281 0.005 . 1 . . . . . 56 PHE HE1 . 52953 1 571 . 1 . 1 56 56 PHE HE2 H 1 6.281 0.005 . 1 . . . . . 56 PHE HE2 . 52953 1 572 . 1 . 1 56 56 PHE HZ H 1 6.550 0.002 . 1 . . . . . 56 PHE HZ . 52953 1 573 . 1 . 1 56 56 PHE C C 13 178.200 0.158 . 1 . . . . . 56 PHE C . 52953 1 574 . 1 . 1 56 56 PHE CA C 13 63.834 0.078 . 1 . . . . . 56 PHE CA . 52953 1 575 . 1 . 1 56 56 PHE CB C 13 39.950 0.089 . 1 . . . . . 56 PHE CB . 52953 1 576 . 1 . 1 56 56 PHE CD1 C 13 132.118 0.011 . 1 . . . . . 56 PHE CD1 . 52953 1 577 . 1 . 1 56 56 PHE CD2 C 13 132.118 0.011 . 1 . . . . . 56 PHE CD2 . 52953 1 578 . 1 . 1 56 56 PHE CE1 C 13 130.387 0.010 . 1 . . . . . 56 PHE CE1 . 52953 1 579 . 1 . 1 56 56 PHE CE2 C 13 130.387 0.01 . 1 . . . . . 56 PHE CE2 . 52953 1 580 . 1 . 1 56 56 PHE CZ C 13 128.372 0.016 . 1 . . . . . 56 PHE CZ . 52953 1 581 . 1 . 1 56 56 PHE N N 15 119.748 0.026 . 1 . . . . . 56 PHE N . 52953 1 582 . 1 . 1 57 57 ARG H H 1 8.666 0.003 . 1 . . . . . 57 ARG H . 52953 1 583 . 1 . 1 57 57 ARG HA H 1 3.858 0.006 . 1 . . . . . 57 ARG HA . 52953 1 584 . 1 . 1 57 57 ARG HB2 H 1 2.060 0.007 . 2 . . . . . 57 ARG HB2 . 52953 1 585 . 1 . 1 57 57 ARG HB3 H 1 1.843 0.018 . 2 . . . . . 57 ARG HB3 . 52953 1 586 . 1 . 1 57 57 ARG HG2 H 1 1.740 0.008 . 2 . . . . . 57 ARG HG2 . 52953 1 587 . 1 . 1 57 57 ARG HG3 H 1 1.533 0.016 . 2 . . . . . 57 ARG HG3 . 52953 1 588 . 1 . 1 57 57 ARG HD2 H 1 3.333 0.009 . 2 . . . . . 57 ARG HD2 . 52953 1 589 . 1 . 1 57 57 ARG HD3 H 1 3.198 0.008 . 2 . . . . . 57 ARG HD3 . 52953 1 590 . 1 . 1 57 57 ARG C C 13 177.976 0.004 . 1 . . . . . 57 ARG C . 52953 1 591 . 1 . 1 57 57 ARG CA C 13 60.542 0.110 . 1 . . . . . 57 ARG CA . 52953 1 592 . 1 . 1 57 57 ARG CB C 13 31.558 0.084 . 1 . . . . . 57 ARG CB . 52953 1 593 . 1 . 1 57 57 ARG CG C 13 28.770 0.065 . 1 . . . . . 57 ARG CG . 52953 1 594 . 1 . 1 57 57 ARG CD C 13 44.166 0.075 . 1 . . . . . 57 ARG CD . 52953 1 595 . 1 . 1 57 57 ARG N N 15 119.447 0.034 . 1 . . . . . 57 ARG N . 52953 1 596 . 1 . 1 58 58 LEU H H 1 7.778 0.004 . 1 . . . . . 58 LEU H . 52953 1 597 . 1 . 1 58 58 LEU HA H 1 4.037 0.006 . 1 . . . . . 58 LEU HA . 52953 1 598 . 1 . 1 58 58 LEU HB2 H 1 1.683 0.013 . 2 . . . . . 58 LEU HB2 . 52953 1 599 . 1 . 1 58 58 LEU HB3 H 1 1.322 0.008 . 2 . . . . . 58 LEU HB3 . 52953 1 600 . 1 . 1 58 58 LEU HG H 1 1.623 0.003 . 1 . . . . . 58 LEU HG . 52953 1 601 . 1 . 1 58 58 LEU HD11 H 1 0.830 0.005 . 2 . . . . . 58 LEU HD1 . 52953 1 602 . 1 . 1 58 58 LEU HD12 H 1 0.830 0.005 . 2 . . . . . 58 LEU HD1 . 52953 1 603 . 1 . 1 58 58 LEU HD13 H 1 0.830 0.005 . 2 . . . . . 58 LEU HD1 . 52953 1 604 . 1 . 1 58 58 LEU HD21 H 1 0.808 0.011 . 2 . . . . . 58 LEU HD2 . 52953 1 605 . 1 . 1 58 58 LEU HD22 H 1 0.808 0.011 . 2 . . . . . 58 LEU HD2 . 52953 1 606 . 1 . 1 58 58 LEU HD23 H 1 0.808 0.011 . 2 . . . . . 58 LEU HD2 . 52953 1 607 . 1 . 1 58 58 LEU C C 13 179.065 0.013 . 1 . . . . . 58 LEU C . 52953 1 608 . 1 . 1 58 58 LEU CA C 13 57.772 0.107 . 1 . . . . . 58 LEU CA . 52953 1 609 . 1 . 1 58 58 LEU CB C 13 43.614 0.090 . 1 . . . . . 58 LEU CB . 52953 1 610 . 1 . 1 58 58 LEU CG C 13 27.900 0.100 . 1 . . . . . 58 LEU CG . 52953 1 611 . 1 . 1 58 58 LEU CD1 C 13 25.742 0.063 . 2 . . . . . 58 LEU CD1 . 52953 1 612 . 1 . 1 58 58 LEU CD2 C 13 24.035 0.071 . 2 . . . . . 58 LEU CD2 . 52953 1 613 . 1 . 1 58 58 LEU N N 15 115.730 0.036 . 1 . . . . . 58 LEU N . 52953 1 614 . 1 . 1 59 59 LYS H H 1 7.804 0.005 . 1 . . . . . 59 LYS H . 52953 1 615 . 1 . 1 59 59 LYS HA H 1 4.082 0.008 . 1 . . . . . 59 LYS HA . 52953 1 616 . 1 . 1 59 59 LYS HB2 H 1 0.660 0.013 . 2 . . . . . 59 LYS HB2 . 52953 1 617 . 1 . 1 59 59 LYS HB3 H 1 0.338 0.005 . 2 . . . . . 59 LYS HB3 . 52953 1 618 . 1 . 1 59 59 LYS HG2 H 1 0.946 0.007 . 2 . . . . . 59 LYS HG1 . 52953 1 619 . 1 . 1 59 59 LYS HD2 H 1 1.364 0.007 . 2 . . . . . 59 LYS HD1 . 52953 1 620 . 1 . 1 59 59 LYS HE2 H 1 2.905 0.005 . 2 . . . . . 59 LYS HE2 . 52953 1 621 . 1 . 1 59 59 LYS HE3 H 1 2.858 0.006 . 2 . . . . . 59 LYS HE3 . 52953 1 622 . 1 . 1 59 59 LYS C C 13 177.372 0.019 . 1 . . . . . 59 LYS C . 52953 1 623 . 1 . 1 59 59 LYS CA C 13 56.016 0.077 . 1 . . . . . 59 LYS CA . 52953 1 624 . 1 . 1 59 59 LYS CB C 13 32.470 0.088 . 1 . . . . . 59 LYS CB . 52953 1 625 . 1 . 1 59 59 LYS CG C 13 25.183 0.141 . 1 . . . . . 59 LYS CG . 52953 1 626 . 1 . 1 59 59 LYS CD C 13 28.595 0.111 . 1 . . . . . 59 LYS CD . 52953 1 627 . 1 . 1 59 59 LYS CE C 13 42.835 0.083 . 1 . . . . . 59 LYS CE . 52953 1 628 . 1 . 1 59 59 LYS N N 15 113.205 0.074 . 1 . . . . . 59 LYS N . 52953 1 629 . 1 . 1 60 60 HIS H H 1 7.738 0.005 . 1 . . . . . 60 HIS H . 52953 1 630 . 1 . 1 60 60 HIS HA H 1 4.923 0.015 . 1 . . . . . 60 HIS HA . 52953 1 631 . 1 . 1 60 60 HIS HB2 H 1 2.502 0.012 . 1 . . . . . 60 HIS HB2 . 52953 1 632 . 1 . 1 60 60 HIS HB3 H 1 1.549 0.008 . 1 . . . . . 60 HIS HB3 . 52953 1 633 . 1 . 1 60 60 HIS HD2 H 1 6.362 0.009 . 1 . . . . . 60 HIS HD2 . 52953 1 634 . 1 . 1 60 60 HIS C C 13 173.894 0.023 . 1 . . . . . 60 HIS C . 52953 1 635 . 1 . 1 60 60 HIS CA C 13 55.151 0.119 . 1 . . . . . 60 HIS CA . 52953 1 636 . 1 . 1 60 60 HIS CB C 13 30.963 0.080 . 1 . . . . . 60 HIS CB . 52953 1 637 . 1 . 1 60 60 HIS CD2 C 13 126.732 0.000 . 1 . . . . . 60 HIS CD2 . 52953 1 638 . 1 . 1 60 60 HIS N N 15 113.732 0.051 . 1 . . . . . 60 HIS N . 52953 1 639 . 1 . 1 61 61 PHE H H 1 7.389 0.004 . 1 . . . . . 61 PHE H . 52953 1 640 . 1 . 1 61 61 PHE HA H 1 4.504 0.006 . 1 . . . . . 61 PHE HA . 52953 1 641 . 1 . 1 61 61 PHE HB2 H 1 3.068 0.007 . 1 . . . . . 61 PHE HB2 . 52953 1 642 . 1 . 1 61 61 PHE HB3 H 1 2.710 0.011 . 1 . . . . . 61 PHE HB3 . 52953 1 643 . 1 . 1 61 61 PHE HD1 H 1 7.071 0.007 . 1 . . . . . 61 PHE HD1 . 52953 1 644 . 1 . 1 61 61 PHE HD2 H 1 7.071 0.007 . 1 . . . . . 61 PHE HD2 . 52953 1 645 . 1 . 1 61 61 PHE HE1 H 1 7.386 0.006 . 1 . . . . . 61 PHE HE1 . 52953 1 646 . 1 . 1 61 61 PHE HE2 H 1 7.386 0.006 . 1 . . . . . 61 PHE HE2 . 52953 1 647 . 1 . 1 61 61 PHE HZ H 1 7.443 0.005 . 1 . . . . . 61 PHE HZ . 52953 1 648 . 1 . 1 61 61 PHE C C 13 174.949 0.029 . 1 . . . . . 61 PHE C . 52953 1 649 . 1 . 1 61 61 PHE CA C 13 58.286 0.090 . 1 . . . . . 61 PHE CA . 52953 1 650 . 1 . 1 61 61 PHE CB C 13 41.372 0.110 . 1 . . . . . 61 PHE CB . 52953 1 651 . 1 . 1 61 61 PHE CD1 C 13 131.234 0.000 . 1 . . . . . 61 PHE CD1 . 52953 1 652 . 1 . 1 61 61 PHE CD2 C 13 131.234 0.0 . 1 . . . . . 61 PHE CD2 . 52953 1 653 . 1 . 1 61 61 PHE CE1 C 13 131.762 0.000 . 1 . . . . . 61 PHE CE1 . 52953 1 654 . 1 . 1 61 61 PHE CE2 C 13 131.762 0.0 . 1 . . . . . 61 PHE CE2 . 52953 1 655 . 1 . 1 61 61 PHE CZ C 13 129.754 0.000 . 1 . . . . . 61 PHE CZ . 52953 1 656 . 1 . 1 61 61 PHE N N 15 121.390 0.046 . 1 . . . . . 61 PHE N . 52953 1 657 . 1 . 1 62 62 THR H H 1 7.534 0.007 . 1 . . . . . 62 THR H . 52953 1 658 . 1 . 1 62 62 THR HA H 1 4.169 0.005 . 1 . . . . . 62 THR HA . 52953 1 659 . 1 . 1 62 62 THR HB H 1 4.064 0.011 . 1 . . . . . 62 THR HB . 52953 1 660 . 1 . 1 62 62 THR HG21 H 1 1.035 0.006 . 1 . . . . . 62 THR HG2 . 52953 1 661 . 1 . 1 62 62 THR HG22 H 1 1.035 0.006 . 1 . . . . . 62 THR HG2 . 52953 1 662 . 1 . 1 62 62 THR HG23 H 1 1.035 0.006 . 1 . . . . . 62 THR HG2 . 52953 1 663 . 1 . 1 62 62 THR C C 13 173.851 0.000 . 1 . . . . . 62 THR C . 52953 1 664 . 1 . 1 62 62 THR CA C 13 62.443 0.038 . 1 . . . . . 62 THR CA . 52953 1 665 . 1 . 1 62 62 THR CB C 13 70.656 0.092 . 1 . . . . . 62 THR CB . 52953 1 666 . 1 . 1 62 62 THR CG2 C 13 22.106 0.045 . 1 . . . . . 62 THR CG2 . 52953 1 667 . 1 . 1 62 62 THR N N 15 115.070 0.034 . 1 . . . . . 62 THR N . 52953 1 668 . 1 . 1 63 63 ASN HA H 1 4.620 0.007 . 1 . . . . . 63 ASN HA . 52953 1 669 . 1 . 1 63 63 ASN HB2 H 1 2.769 0.010 . 2 . . . . . 63 ASN HB2 . 52953 1 670 . 1 . 1 63 63 ASN HB3 H 1 2.631 0.009 . 2 . . . . . 63 ASN HB3 . 52953 1 671 . 1 . 1 63 63 ASN HD21 H 1 7.527 0.002 . 2 . . . . . 63 ASN HD21 . 52953 1 672 . 1 . 1 63 63 ASN HD22 H 1 6.837 0.002 . 2 . . . . . 63 ASN HD22 . 52953 1 673 . 1 . 1 63 63 ASN CA C 13 54.000 0.049 . 1 . . . . . 63 ASN CA . 52953 1 674 . 1 . 1 63 63 ASN CB C 13 39.752 0.061 . 1 . . . . . 63 ASN CB . 52953 1 675 . 1 . 1 63 63 ASN ND2 N 15 112.699 0.089 . 1 . . . . . 63 ASN ND2 . 52953 1 676 . 1 . 1 65 65 SER H H 1 7.965 0.002 . 1 . . . . . 65 SER H . 52953 1 677 . 1 . 1 65 65 SER HA H 1 4.260 0.000 . 1 . . . . . 65 SER HA . 52953 1 678 . 1 . 1 65 65 SER N N 15 123.006 0.011 . 1 . . . . . 65 SER N . 52953 1 679 . 1 . 1 67 67 SER HA H 1 4.493 0.006 . 1 . . . . . 67 SER HA . 52953 1 680 . 1 . 1 67 67 SER HB2 H 1 3.852 0.007 . 2 . . . . . 67 SER HB2 . 52953 1 681 . 1 . 1 67 67 SER HB3 H 1 3.767 0.009 . 2 . . . . . 67 SER HB3 . 52953 1 682 . 1 . 1 67 67 SER C C 13 173.433 0.029 . 1 . . . . . 67 SER C . 52953 1 683 . 1 . 1 67 67 SER CA C 13 59.193 0.137 . 1 . . . . . 67 SER CA . 52953 1 684 . 1 . 1 67 67 SER CB C 13 64.746 0.118 . 1 . . . . . 67 SER CB . 52953 1 685 . 1 . 1 68 68 LEU H H 1 7.858 0.004 . 1 . . . . . 68 LEU H . 52953 1 686 . 1 . 1 68 68 LEU HA H 1 4.182 0.007 . 1 . . . . . 68 LEU HA . 52953 1 687 . 1 . 1 68 68 LEU HB2 H 1 1.575 0.005 . 2 . . . . . 68 LEU HB1 . 52953 1 688 . 1 . 1 68 68 LEU HG H 1 1.587 0.008 . 1 . . . . . 68 LEU HG . 52953 1 689 . 1 . 1 68 68 LEU HD11 H 1 0.893 0.002 . 2 . . . . . 68 LEU HD1 . 52953 1 690 . 1 . 1 68 68 LEU HD12 H 1 0.893 0.002 . 2 . . . . . 68 LEU HD1 . 52953 1 691 . 1 . 1 68 68 LEU HD13 H 1 0.893 0.002 . 2 . . . . . 68 LEU HD1 . 52953 1 692 . 1 . 1 68 68 LEU HD21 H 1 0.852 0.004 . 2 . . . . . 68 LEU HD2 . 52953 1 693 . 1 . 1 68 68 LEU HD22 H 1 0.852 0.004 . 2 . . . . . 68 LEU HD2 . 52953 1 694 . 1 . 1 68 68 LEU HD23 H 1 0.852 0.004 . 2 . . . . . 68 LEU HD2 . 52953 1 695 . 1 . 1 68 68 LEU C C 13 182.377 0.000 . 1 . . . . . 68 LEU C . 52953 1 696 . 1 . 1 68 68 LEU CA C 13 57.715 0.066 . 1 . . . . . 68 LEU CA . 52953 1 697 . 1 . 1 68 68 LEU CB C 13 44.175 0.059 . 1 . . . . . 68 LEU CB . 52953 1 698 . 1 . 1 68 68 LEU CG C 13 28.068 0.084 . 1 . . . . . 68 LEU CG . 52953 1 699 . 1 . 1 68 68 LEU CD1 C 13 25.984 0.071 . 2 . . . . . 68 LEU CD1 . 52953 1 700 . 1 . 1 68 68 LEU CD2 C 13 24.435 0.115 . 2 . . . . . 68 LEU CD2 . 52953 1 701 . 1 . 1 68 68 LEU N N 15 129.464 0.047 . 1 . . . . . 68 LEU N . 52953 1 stop_ save_