################################### # 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 52046 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name NterWW12g_CS _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' . . . 52046 1 2 '3D CBCA(CO)NH' . . . 52046 1 3 '3D HNCACB' . . . 52046 1 4 '3D HCC(CO)NH' . . . 52046 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 3 $software_3 . . 52046 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 2 2 ALA CA C 13 52.377 0.058 . 1 . . . . . 55 ALA CA . 52046 1 2 . 1 . 1 2 2 ALA CB C 13 19.135 0.005 . 1 . . . . . 55 ALA CB . 52046 1 3 . 1 . 1 3 3 MET H H 1 8.425 0.001 . 1 . . . . . 56 MET H . 52046 1 4 . 1 . 1 3 3 MET CA C 13 55.327 0.047 . 1 . . . . . 56 MET CA . 52046 1 5 . 1 . 1 3 3 MET CB C 13 32.651 0.041 . 1 . . . . . 56 MET CB . 52046 1 6 . 1 . 1 3 3 MET N N 15 119.761 0.005 . 1 . . . . . 56 MET N . 52046 1 7 . 1 . 1 4 4 GLY H H 1 8.288 0.002 . 1 . . . . . 57 GLY H . 52046 1 8 . 1 . 1 4 4 GLY CA C 13 45.083 0.038 . 1 . . . . . 57 GLY CA . 52046 1 9 . 1 . 1 4 4 GLY N N 15 109.603 0.020 . 1 . . . . . 57 GLY N . 52046 1 10 . 1 . 1 5 5 HIS H H 1 8.079 0.002 . 1 . . . . . 58 HIS H . 52046 1 11 . 1 . 1 5 5 HIS CA C 13 55.284 0.000 . 1 . . . . . 58 HIS CA . 52046 1 12 . 1 . 1 5 5 HIS CB C 13 29.496 0.000 . 1 . . . . . 58 HIS CB . 52046 1 13 . 1 . 1 5 5 HIS N N 15 119.275 0.003 . 1 . . . . . 58 HIS N . 52046 1 14 . 1 . 1 9 9 HIS CA C 13 55.138 0.000 . 1 . . . . . 62 HIS CA . 52046 1 15 . 1 . 1 9 9 HIS CB C 13 29.882 0.001 . 1 . . . . . 62 HIS CB . 52046 1 16 . 1 . 1 10 10 TYR H H 1 8.014 0.001 . 1 . . . . . 63 TYR H . 52046 1 17 . 1 . 1 10 10 TYR CA C 13 57.445 0.018 . 1 . . . . . 63 TYR CA . 52046 1 18 . 1 . 1 10 10 TYR CB C 13 38.752 0.117 . 1 . . . . . 63 TYR CB . 52046 1 19 . 1 . 1 10 10 TYR N N 15 121.777 0.027 . 1 . . . . . 63 TYR N . 52046 1 20 . 1 . 1 11 11 ALA H H 1 8.096 0.003 . 1 . . . . . 64 ALA H . 52046 1 21 . 1 . 1 11 11 ALA HB1 H 1 1.203 0.000 . 1 . . . . . 64 ALA HB1 . 52046 1 22 . 1 . 1 11 11 ALA HB2 H 1 1.203 0.000 . 1 . . . . . 64 ALA HB2 . 52046 1 23 . 1 . 1 11 11 ALA HB3 H 1 1.203 0.000 . 1 . . . . . 64 ALA HB3 . 52046 1 24 . 1 . 1 11 11 ALA CA C 13 49.950 0.000 . 1 . . . . . 64 ALA CA . 52046 1 25 . 1 . 1 11 11 ALA CB C 13 18.380 0.050 . 1 . . . . . 64 ALA CB . 52046 1 26 . 1 . 1 11 11 ALA N N 15 127.351 0.008 . 1 . . . . . 64 ALA N . 52046 1 27 . 1 . 1 13 13 MET CA C 13 55.386 0.000 . 1 . . . . . 66 MET CA . 52046 1 28 . 1 . 1 13 13 MET CB C 13 32.836 0.000 . 1 . . . . . 66 MET CB . 52046 1 29 . 1 . 1 13 13 MET CG C 13 31.687 0.000 . 1 . . . . . 66 MET CG . 52046 1 30 . 1 . 1 14 14 GLY H H 1 8.248 0.001 . 1 . . . . . 67 GLY H . 52046 1 31 . 1 . 1 14 14 GLY CA C 13 44.939 0.000 . 1 . . . . . 67 GLY CA . 52046 1 32 . 1 . 1 14 14 GLY N N 15 109.830 0.000 . 1 . . . . . 67 GLY N . 52046 1 33 . 1 . 1 17 17 PRO CA C 13 63.291 0.000 . 1 . . . . . 70 PRO CA . 52046 1 34 . 1 . 1 17 17 PRO CB C 13 32.017 0.000 . 1 . . . . . 70 PRO CB . 52046 1 35 . 1 . 1 18 18 MET H H 1 8.681 0.004 . 1 . . . . . 71 MET H . 52046 1 36 . 1 . 1 18 18 MET CA C 13 55.454 0.012 . 1 . . . . . 71 MET CA . 52046 1 37 . 1 . 1 18 18 MET CB C 13 32.596 0.004 . 1 . . . . . 71 MET CB . 52046 1 38 . 1 . 1 18 18 MET CG C 13 31.803 0.000 . 1 . . . . . 71 MET CG . 52046 1 39 . 1 . 1 18 18 MET N N 15 120.557 0.016 . 1 . . . . . 71 MET N . 52046 1 40 . 1 . 1 19 19 GLY H H 1 8.343 0.002 . 1 . . . . . 72 GLY H . 52046 1 41 . 1 . 1 19 19 GLY CA C 13 45.170 0.015 . 1 . . . . . 72 GLY CA . 52046 1 42 . 1 . 1 19 19 GLY N N 15 109.664 0.011 . 1 . . . . . 72 GLY N . 52046 1 43 . 1 . 1 20 20 GLN H H 1 8.176 0.002 . 1 . . . . . 73 GLN H . 52046 1 44 . 1 . 1 20 20 GLN CA C 13 55.718 0.098 . 1 . . . . . 73 GLN CA . 52046 1 45 . 1 . 1 20 20 GLN CB C 13 29.337 0.040 . 1 . . . . . 73 GLN CB . 52046 1 46 . 1 . 1 20 20 GLN N N 15 119.914 0.009 . 1 . . . . . 73 GLN N . 52046 1 47 . 1 . 1 21 21 ARG H H 1 8.297 0.002 . 1 . . . . . 74 ARG H . 52046 1 48 . 1 . 1 21 21 ARG CA C 13 55.920 0.000 . 1 . . . . . 74 ARG CA . 52046 1 49 . 1 . 1 21 21 ARG CB C 13 30.554 0.050 . 1 . . . . . 74 ARG CB . 52046 1 50 . 1 . 1 21 21 ARG N N 15 122.117 0.013 . 1 . . . . . 74 ARG N . 52046 1 51 . 1 . 1 22 22 ALA H H 1 8.196 0.002 . 1 . . . . . 75 ALA H . 52046 1 52 . 1 . 1 22 22 ALA CA C 13 52.356 0.018 . 1 . . . . . 75 ALA CA . 52046 1 53 . 1 . 1 22 22 ALA CB C 13 19.012 0.026 . 1 . . . . . 75 ALA CB . 52046 1 54 . 1 . 1 22 22 ALA N N 15 124.387 0.010 . 1 . . . . . 75 ALA N . 52046 1 55 . 1 . 1 23 23 ASN H H 1 8.291 0.002 . 1 . . . . . 76 ASN H . 52046 1 56 . 1 . 1 23 23 ASN CA C 13 52.750 0.131 . 1 . . . . . 76 ASN CA . 52046 1 57 . 1 . 1 23 23 ASN CB C 13 38.404 0.033 . 1 . . . . . 76 ASN CB . 52046 1 58 . 1 . 1 23 23 ASN N N 15 117.017 0.009 . 1 . . . . . 76 ASN N . 52046 1 59 . 1 . 1 24 24 MET H H 1 8.013 0.003 . 1 . . . . . 77 MET H . 52046 1 60 . 1 . 1 24 24 MET CA C 13 53.047 0.000 . 1 . . . . . 77 MET CA . 52046 1 61 . 1 . 1 24 24 MET CB C 13 32.150 0.000 . 1 . . . . . 77 MET CB . 52046 1 62 . 1 . 1 24 24 MET N N 15 121.137 0.012 . 1 . . . . . 77 MET N . 52046 1 63 . 1 . 1 28 28 PRO CA C 13 62.783 0.084 . 1 . . . . . 81 PRO CA . 52046 1 64 . 1 . 1 29 29 HIS H H 1 8.260 0.007 . 1 . . . . . 82 HIS H . 52046 1 65 . 1 . 1 29 29 HIS CA C 13 56.110 0.009 . 1 . . . . . 82 HIS CA . 52046 1 66 . 1 . 1 29 29 HIS CB C 13 29.812 0.028 . 1 . . . . . 82 HIS CB . 52046 1 67 . 1 . 1 29 29 HIS N N 15 119.027 0.031 . 1 . . . . . 82 HIS N . 52046 1 68 . 1 . 1 30 30 GLY H H 1 8.325 0.004 . 1 . . . . . 83 GLY H . 52046 1 69 . 1 . 1 30 30 GLY CA C 13 45.058 0.000 . 1 . . . . . 83 GLY CA . 52046 1 70 . 1 . 1 30 30 GLY N N 15 109.967 0.024 . 1 . . . . . 83 GLY N . 52046 1 71 . 1 . 1 33 33 PRO CA C 13 63.063 0.082 . 1 . . . . . 86 PRO CA . 52046 1 72 . 1 . 1 33 33 PRO CB C 13 31.738 0.066 . 1 . . . . . 86 PRO CB . 52046 1 73 . 1 . 1 33 33 PRO CG C 13 27.086 0.000 . 1 . . . . . 86 PRO CG . 52046 1 74 . 1 . 1 34 34 GLN H H 1 8.387 0.001 . 1 . . . . . 87 GLN H . 52046 1 75 . 1 . 1 34 34 GLN CA C 13 55.730 0.000 . 1 . . . . . 87 GLN CA . 52046 1 76 . 1 . 1 34 34 GLN CB C 13 29.301 0.000 . 1 . . . . . 87 GLN CB . 52046 1 77 . 1 . 1 34 34 GLN N N 15 119.770 0.006 . 1 . . . . . 87 GLN N . 52046 1 78 . 1 . 1 38 38 PRO CA C 13 63.003 0.000 . 1 . . . . . 91 PRO CA . 52046 1 79 . 1 . 1 38 38 PRO CB C 13 31.694 0.000 . 1 . . . . . 91 PRO CB . 52046 1 80 . 1 . 1 39 39 MET H H 1 8.350 0.001 . 1 . . . . . 92 MET H . 52046 1 81 . 1 . 1 39 39 MET CA C 13 55.510 0.015 . 1 . . . . . 92 MET CA . 52046 1 82 . 1 . 1 39 39 MET CB C 13 32.665 0.017 . 1 . . . . . 92 MET CB . 52046 1 83 . 1 . 1 39 39 MET CG C 13 31.754 0.000 . 1 . . . . . 92 MET CG . 52046 1 84 . 1 . 1 39 39 MET N N 15 119.916 0.019 . 1 . . . . . 92 MET N . 52046 1 85 . 1 . 1 40 40 GLY H H 1 8.325 0.001 . 1 . . . . . 93 GLY H . 52046 1 86 . 1 . 1 40 40 GLY CA C 13 45.051 0.002 . 1 . . . . . 93 GLY CA . 52046 1 87 . 1 . 1 40 40 GLY N N 15 109.686 0.009 . 1 . . . . . 93 GLY N . 52046 1 88 . 1 . 1 41 41 GLY H H 1 7.972 0.001 . 1 . . . . . 94 GLY H . 52046 1 89 . 1 . 1 41 41 GLY CA C 13 44.115 0.000 . 1 . . . . . 94 GLY CA . 52046 1 90 . 1 . 1 41 41 GLY N N 15 108.505 0.003 . 1 . . . . . 94 GLY N . 52046 1 91 . 1 . 1 44 44 MET CA C 13 55.299 0.000 . 1 . . . . . 97 MET CA . 52046 1 92 . 1 . 1 44 44 MET CB C 13 32.722 0.000 . 1 . . . . . 97 MET CB . 52046 1 93 . 1 . 1 44 44 MET CG C 13 31.669 0.000 . 1 . . . . . 97 MET CG . 52046 1 94 . 1 . 1 45 45 GLY H H 1 8.274 0.002 . 1 . . . . . 98 GLY H . 52046 1 95 . 1 . 1 45 45 GLY CA C 13 44.850 0.003 . 1 . . . . . 98 GLY CA . 52046 1 96 . 1 . 1 45 45 GLY N N 15 109.815 0.016 . 1 . . . . . 98 GLY N . 52046 1 97 . 1 . 1 46 46 GLN H H 1 8.122 0.004 . 1 . . . . . 99 GLN H . 52046 1 98 . 1 . 1 46 46 GLN CA C 13 53.740 0.000 . 1 . . . . . 99 GLN CA . 52046 1 99 . 1 . 1 46 46 GLN CB C 13 29.762 0.000 . 1 . . . . . 99 GLN CB . 52046 1 100 . 1 . 1 46 46 GLN N N 15 119.822 0.049 . 1 . . . . . 99 GLN N . 52046 1 101 . 1 . 1 52 52 SER CA C 13 58.207 0.000 . 1 . . . . . 105 SER CA . 52046 1 102 . 1 . 1 52 52 SER CB C 13 63.555 0.000 . 1 . . . . . 105 SER CB . 52046 1 103 . 1 . 1 53 53 SER H H 1 8.212 0.001 . 1 . . . . . 106 SER H . 52046 1 104 . 1 . 1 53 53 SER CA C 13 58.231 0.057 . 1 . . . . . 106 SER CA . 52046 1 105 . 1 . 1 53 53 SER CB C 13 63.631 0.042 . 1 . . . . . 106 SER CB . 52046 1 106 . 1 . 1 53 53 SER N N 15 117.347 0.007 . 1 . . . . . 106 SER N . 52046 1 107 . 1 . 1 54 54 VAL H H 1 7.924 0.001 . 1 . . . . . 107 VAL H . 52046 1 108 . 1 . 1 54 54 VAL HG11 H 1 0.831 0.000 . 2 . . . . . 107 VAL HG11 . 52046 1 109 . 1 . 1 54 54 VAL HG12 H 1 0.831 0.000 . 2 . . . . . 107 VAL HG12 . 52046 1 110 . 1 . 1 54 54 VAL HG13 H 1 0.831 0.000 . 2 . . . . . 107 VAL HG13 . 52046 1 111 . 1 . 1 54 54 VAL HG21 H 1 0.853 0.000 . 2 . . . . . 107 VAL HG21 . 52046 1 112 . 1 . 1 54 54 VAL HG22 H 1 0.853 0.000 . 2 . . . . . 107 VAL HG22 . 52046 1 113 . 1 . 1 54 54 VAL HG23 H 1 0.853 0.000 . 2 . . . . . 107 VAL HG23 . 52046 1 114 . 1 . 1 54 54 VAL CA C 13 61.850 0.063 . 1 . . . . . 107 VAL CA . 52046 1 115 . 1 . 1 54 54 VAL CB C 13 32.383 0.067 . 1 . . . . . 107 VAL CB . 52046 1 116 . 1 . 1 54 54 VAL CG1 C 13 20.939 0.011 . 1 . . . . . 107 VAL CG1 . 52046 1 117 . 1 . 1 54 54 VAL CG2 C 13 20.147 0.015 . 1 . . . . . 107 VAL CG2 . 52046 1 118 . 1 . 1 54 54 VAL N N 15 120.561 0.007 . 1 . . . . . 107 VAL N . 52046 1 119 . 1 . 1 55 55 MET H H 1 8.175 0.001 . 1 . . . . . 108 MET H . 52046 1 120 . 1 . 1 55 55 MET CA C 13 53.121 0.000 . 1 . . . . . 108 MET CA . 52046 1 121 . 1 . 1 55 55 MET CB C 13 32.379 0.000 . 1 . . . . . 108 MET CB . 52046 1 122 . 1 . 1 55 55 MET N N 15 124.934 0.013 . 1 . . . . . 108 MET N . 52046 1 123 . 1 . 1 64 64 SER CA C 13 58.484 0.000 . 1 . . . . . 117 SER CA . 52046 1 124 . 1 . 1 64 64 SER CB C 13 63.595 0.000 . 1 . . . . . 117 SER CB . 52046 1 125 . 1 . 1 65 65 GLN H H 1 8.335 0.002 . 1 . . . . . 118 GLN H . 52046 1 126 . 1 . 1 65 65 GLN CA C 13 55.998 0.076 . 1 . . . . . 118 GLN CA . 52046 1 127 . 1 . 1 65 65 GLN CB C 13 29.151 0.058 . 1 . . . . . 118 GLN CB . 52046 1 128 . 1 . 1 65 65 GLN N N 15 122.111 0.005 . 1 . . . . . 118 GLN N . 52046 1 129 . 1 . 1 66 66 ALA H H 1 8.211 0.002 . 1 . . . . . 119 ALA H . 52046 1 130 . 1 . 1 66 66 ALA CA C 13 52.708 0.049 . 1 . . . . . 119 ALA CA . 52046 1 131 . 1 . 1 66 66 ALA CB C 13 18.893 0.041 . 1 . . . . . 119 ALA CB . 52046 1 132 . 1 . 1 66 66 ALA N N 15 124.381 0.008 . 1 . . . . . 119 ALA N . 52046 1 133 . 1 . 1 67 67 SER H H 1 8.088 0.001 . 1 . . . . . 120 SER H . 52046 1 134 . 1 . 1 67 67 SER CA C 13 58.259 0.061 . 1 . . . . . 120 SER CA . 52046 1 135 . 1 . 1 67 67 SER CB C 13 63.521 0.049 . 1 . . . . . 120 SER CB . 52046 1 136 . 1 . 1 67 67 SER N N 15 114.114 0.006 . 1 . . . . . 120 SER N . 52046 1 137 . 1 . 1 68 68 MET H H 1 8.113 0.002 . 1 . . . . . 121 MET H . 52046 1 138 . 1 . 1 68 68 MET CA C 13 55.094 0.032 . 1 . . . . . 121 MET CA . 52046 1 139 . 1 . 1 68 68 MET CB C 13 32.720 0.015 . 1 . . . . . 121 MET CB . 52046 1 140 . 1 . 1 68 68 MET CG C 13 31.697 0.000 . 1 . . . . . 121 MET CG . 52046 1 141 . 1 . 1 68 68 MET N N 15 121.567 0.005 . 1 . . . . . 121 MET N . 52046 1 142 . 1 . 1 69 69 GLN H H 1 8.153 0.002 . 1 . . . . . 122 GLN H . 52046 1 143 . 1 . 1 69 69 GLN CA C 13 53.459 0.000 . 1 . . . . . 122 GLN CA . 52046 1 144 . 1 . 1 69 69 GLN CB C 13 28.713 0.000 . 1 . . . . . 122 GLN CB . 52046 1 145 . 1 . 1 69 69 GLN N N 15 122.046 0.003 . 1 . . . . . 122 GLN N . 52046 1 146 . 1 . 1 70 70 PRO CA C 13 62.637 0.074 . 1 . . . . . 123 PRO CA . 52046 1 147 . 1 . 1 70 70 PRO CB C 13 31.756 0.031 . 1 . . . . . 123 PRO CB . 52046 1 148 . 1 . 1 71 71 ALA H H 1 8.184 0.001 . 1 . . . . . 124 ALA H . 52046 1 149 . 1 . 1 71 71 ALA CA C 13 51.867 0.160 . 1 . . . . . 124 ALA CA . 52046 1 150 . 1 . 1 71 71 ALA CB C 13 18.968 0.079 . 1 . . . . . 124 ALA CB . 52046 1 151 . 1 . 1 71 71 ALA N N 15 124.352 0.014 . 1 . . . . . 124 ALA N . 52046 1 152 . 1 . 1 72 72 LEU H H 1 8.006 0.002 . 1 . . . . . 125 LEU H . 52046 1 153 . 1 . 1 72 72 LEU CA C 13 52.404 0.029 . 1 . . . . . 125 LEU CA . 52046 1 154 . 1 . 1 72 72 LEU CB C 13 41.408 0.000 . 1 . . . . . 125 LEU CB . 52046 1 155 . 1 . 1 72 72 LEU N N 15 122.342 0.021 . 1 . . . . . 125 LEU N . 52046 1 156 . 1 . 1 74 74 PRO CA C 13 62.913 0.093 . 1 . . . . . 127 PRO CA . 52046 1 157 . 1 . 1 74 74 PRO CB C 13 31.712 0.070 . 1 . . . . . 127 PRO CB . 52046 1 158 . 1 . 1 75 75 GLY H H 1 8.345 0.002 . 1 . . . . . 128 GLY H . 52046 1 159 . 1 . 1 75 75 GLY CA C 13 45.023 0.069 . 1 . . . . . 128 GLY CA . 52046 1 160 . 1 . 1 75 75 GLY N N 15 109.064 0.005 . 1 . . . . . 128 GLY N . 52046 1 161 . 1 . 1 76 76 VAL H H 1 7.789 0.001 . 1 . . . . . 129 VAL H . 52046 1 162 . 1 . 1 76 76 VAL HG21 H 1 0.807 0.000 . 2 . . . . . 129 VAL HG21 . 52046 1 163 . 1 . 1 76 76 VAL HG22 H 1 0.807 0.000 . 2 . . . . . 129 VAL HG22 . 52046 1 164 . 1 . 1 76 76 VAL HG23 H 1 0.807 0.000 . 2 . . . . . 129 VAL HG23 . 52046 1 165 . 1 . 1 76 76 VAL CA C 13 62.211 0.008 . 1 . . . . . 129 VAL CA . 52046 1 166 . 1 . 1 76 76 VAL CB C 13 32.361 0.036 . 1 . . . . . 129 VAL CB . 52046 1 167 . 1 . 1 76 76 VAL CG1 C 13 20.891 0.000 . 1 . . . . . 129 VAL CG1 . 52046 1 168 . 1 . 1 76 76 VAL CG2 C 13 20.373 0.003 . 1 . . . . . 129 VAL CG2 . 52046 1 169 . 1 . 1 76 76 VAL N N 15 119.132 0.005 . 1 . . . . . 129 VAL N . 52046 1 170 . 1 . 1 77 77 ASN H H 1 8.512 0.001 . 1 . . . . . 130 ASN H . 52046 1 171 . 1 . 1 77 77 ASN CA C 13 52.912 0.004 . 1 . . . . . 130 ASN CA . 52046 1 172 . 1 . 1 77 77 ASN CB C 13 38.923 0.008 . 1 . . . . . 130 ASN CB . 52046 1 173 . 1 . 1 77 77 ASN N N 15 122.176 0.003 . 1 . . . . . 130 ASN N . 52046 1 174 . 1 . 1 78 78 SER H H 1 8.209 0.001 . 1 . . . . . 131 SER H . 52046 1 175 . 1 . 1 78 78 SER CA C 13 58.665 0.102 . 1 . . . . . 131 SER CA . 52046 1 176 . 1 . 1 78 78 SER CB C 13 63.457 0.072 . 1 . . . . . 131 SER CB . 52046 1 177 . 1 . 1 78 78 SER N N 15 116.453 0.021 . 1 . . . . . 131 SER N . 52046 1 178 . 1 . 1 79 79 MET H H 1 8.308 0.001 . 1 . . . . . 132 MET H . 52046 1 179 . 1 . 1 79 79 MET CA C 13 55.559 0.074 . 1 . . . . . 132 MET CA . 52046 1 180 . 1 . 1 79 79 MET CB C 13 32.525 0.004 . 1 . . . . . 132 MET CB . 52046 1 181 . 1 . 1 79 79 MET N N 15 121.367 0.003 . 1 . . . . . 132 MET N . 52046 1 182 . 1 . 1 80 80 ASP H H 1 8.161 0.002 . 1 . . . . . 133 ASP H . 52046 1 183 . 1 . 1 80 80 ASP CA C 13 54.364 0.014 . 1 . . . . . 133 ASP CA . 52046 1 184 . 1 . 1 80 80 ASP CB C 13 40.871 0.027 . 1 . . . . . 133 ASP CB . 52046 1 185 . 1 . 1 80 80 ASP N N 15 121.325 0.005 . 1 . . . . . 133 ASP N . 52046 1 186 . 1 . 1 81 81 VAL H H 1 7.906 0.001 . 1 . . . . . 134 VAL H . 52046 1 187 . 1 . 1 81 81 VAL HG11 H 1 0.833 0.000 . 2 . . . . . 134 VAL HG11 . 52046 1 188 . 1 . 1 81 81 VAL HG12 H 1 0.833 0.000 . 2 . . . . . 134 VAL HG12 . 52046 1 189 . 1 . 1 81 81 VAL HG13 H 1 0.833 0.000 . 2 . . . . . 134 VAL HG13 . 52046 1 190 . 1 . 1 81 81 VAL HG21 H 1 0.860 0.000 . 2 . . . . . 134 VAL HG21 . 52046 1 191 . 1 . 1 81 81 VAL HG22 H 1 0.860 0.000 . 2 . . . . . 134 VAL HG22 . 52046 1 192 . 1 . 1 81 81 VAL HG23 H 1 0.860 0.000 . 2 . . . . . 134 VAL HG23 . 52046 1 193 . 1 . 1 81 81 VAL CA C 13 62.299 0.078 . 1 . . . . . 134 VAL CA . 52046 1 194 . 1 . 1 81 81 VAL CB C 13 32.391 0.056 . 1 . . . . . 134 VAL CB . 52046 1 195 . 1 . 1 81 81 VAL CG1 C 13 20.904 0.002 . 1 . . . . . 134 VAL CG1 . 52046 1 196 . 1 . 1 81 81 VAL CG2 C 13 20.115 0.011 . 1 . . . . . 134 VAL CG2 . 52046 1 197 . 1 . 1 81 81 VAL N N 15 120.019 0.006 . 1 . . . . . 134 VAL N . 52046 1 198 . 1 . 1 82 82 ALA H H 1 8.235 0.001 . 1 . . . . . 135 ALA H . 52046 1 199 . 1 . 1 82 82 ALA HB1 H 1 1.336 0.000 . 1 . . . . . 135 ALA HB1 . 52046 1 200 . 1 . 1 82 82 ALA HB2 H 1 1.336 0.000 . 1 . . . . . 135 ALA HB2 . 52046 1 201 . 1 . 1 82 82 ALA HB3 H 1 1.336 0.000 . 1 . . . . . 135 ALA HB3 . 52046 1 202 . 1 . 1 82 82 ALA CA C 13 52.375 0.005 . 1 . . . . . 135 ALA CA . 52046 1 203 . 1 . 1 82 82 ALA CB C 13 18.765 0.029 . 1 . . . . . 135 ALA CB . 52046 1 204 . 1 . 1 82 82 ALA N N 15 126.702 0.008 . 1 . . . . . 135 ALA N . 52046 1 205 . 1 . 1 83 83 ALA H H 1 8.117 0.001 . 1 . . . . . 136 ALA H . 52046 1 206 . 1 . 1 83 83 ALA HB1 H 1 1.347 0.000 . 1 . . . . . 136 ALA HB1 . 52046 1 207 . 1 . 1 83 83 ALA HB2 H 1 1.347 0.000 . 1 . . . . . 136 ALA HB2 . 52046 1 208 . 1 . 1 83 83 ALA HB3 H 1 1.347 0.000 . 1 . . . . . 136 ALA HB3 . 52046 1 209 . 1 . 1 83 83 ALA CA C 13 52.801 0.172 . 1 . . . . . 136 ALA CA . 52046 1 210 . 1 . 1 83 83 ALA CB C 13 18.878 0.035 . 1 . . . . . 136 ALA CB . 52046 1 211 . 1 . 1 83 83 ALA N N 15 123.076 0.003 . 1 . . . . . 136 ALA N . 52046 1 212 . 1 . 1 84 84 GLY H H 1 8.246 0.002 . 1 . . . . . 137 GLY H . 52046 1 213 . 1 . 1 84 84 GLY CA C 13 45.255 0.034 . 1 . . . . . 137 GLY CA . 52046 1 214 . 1 . 1 84 84 GLY N N 15 107.959 0.020 . 1 . . . . . 137 GLY N . 52046 1 215 . 1 . 1 85 85 THR H H 1 7.946 0.001 . 1 . . . . . 138 THR H . 52046 1 216 . 1 . 1 85 85 THR HG21 H 1 1.134 0.000 . 1 . . . . . 138 THR HG21 . 52046 1 217 . 1 . 1 85 85 THR HG22 H 1 1.134 0.000 . 1 . . . . . 138 THR HG22 . 52046 1 218 . 1 . 1 85 85 THR HG23 H 1 1.134 0.000 . 1 . . . . . 138 THR HG23 . 52046 1 219 . 1 . 1 85 85 THR CA C 13 61.696 0.008 . 1 . . . . . 138 THR CA . 52046 1 220 . 1 . 1 85 85 THR CB C 13 69.688 0.060 . 1 . . . . . 138 THR CB . 52046 1 221 . 1 . 1 85 85 THR CG2 C 13 21.305 0.001 . 1 . . . . . 138 THR CG2 . 52046 1 222 . 1 . 1 85 85 THR N N 15 113.346 0.004 . 1 . . . . . 138 THR N . 52046 1 223 . 1 . 1 86 86 ALA H H 1 8.340 0.001 . 1 . . . . . 139 ALA H . 52046 1 224 . 1 . 1 86 86 ALA HB1 H 1 1.233 0.000 . 1 . . . . . 139 ALA HB1 . 52046 1 225 . 1 . 1 86 86 ALA HB2 H 1 1.233 0.000 . 1 . . . . . 139 ALA HB2 . 52046 1 226 . 1 . 1 86 86 ALA HB3 H 1 1.233 0.000 . 1 . . . . . 139 ALA HB3 . 52046 1 227 . 1 . 1 86 86 ALA CA C 13 52.466 0.011 . 1 . . . . . 139 ALA CA . 52046 1 228 . 1 . 1 86 86 ALA CB C 13 18.923 0.011 . 1 . . . . . 139 ALA CB . 52046 1 229 . 1 . 1 86 86 ALA N N 15 126.455 0.005 . 1 . . . . . 139 ALA N . 52046 1 230 . 1 . 1 87 87 SER H H 1 8.251 0.001 . 1 . . . . . 140 SER H . 52046 1 231 . 1 . 1 87 87 SER CA C 13 58.578 0.002 . 1 . . . . . 140 SER CA . 52046 1 232 . 1 . 1 87 87 SER CB C 13 63.636 0.056 . 1 . . . . . 140 SER CB . 52046 1 233 . 1 . 1 87 87 SER N N 15 115.040 0.006 . 1 . . . . . 140 SER N . 52046 1 234 . 1 . 1 88 88 GLY H H 1 8.315 0.001 . 1 . . . . . 141 GLY H . 52046 1 235 . 1 . 1 88 88 GLY CA C 13 45.109 0.041 . 1 . . . . . 141 GLY CA . 52046 1 236 . 1 . 1 88 88 GLY N N 15 110.873 0.005 . 1 . . . . . 141 GLY N . 52046 1 237 . 1 . 1 89 89 ALA H H 1 8.052 0.001 . 1 . . . . . 142 ALA H . 52046 1 238 . 1 . 1 89 89 ALA HB1 H 1 1.305 0.000 . 1 . . . . . 142 ALA HB1 . 52046 1 239 . 1 . 1 89 89 ALA HB2 H 1 1.305 0.000 . 1 . . . . . 142 ALA HB2 . 52046 1 240 . 1 . 1 89 89 ALA HB3 H 1 1.305 0.000 . 1 . . . . . 142 ALA HB3 . 52046 1 241 . 1 . 1 89 89 ALA CA C 13 52.420 0.033 . 1 . . . . . 142 ALA CA . 52046 1 242 . 1 . 1 89 89 ALA CB C 13 19.098 0.018 . 1 . . . . . 142 ALA CB . 52046 1 243 . 1 . 1 89 89 ALA N N 15 123.694 0.005 . 1 . . . . . 142 ALA N . 52046 1 244 . 1 . 1 90 90 LYS H H 1 8.258 0.001 . 1 . . . . . 143 LYS H . 52046 1 245 . 1 . 1 90 90 LYS CA C 13 56.200 0.063 . 1 . . . . . 143 LYS CA . 52046 1 246 . 1 . 1 90 90 LYS CB C 13 32.858 0.032 . 1 . . . . . 143 LYS CB . 52046 1 247 . 1 . 1 90 90 LYS N N 15 120.291 0.008 . 1 . . . . . 143 LYS N . 52046 1 248 . 1 . 1 91 91 SER H H 1 8.179 0.001 . 1 . . . . . 144 SER H . 52046 1 249 . 1 . 1 91 91 SER CA C 13 58.005 0.013 . 1 . . . . . 144 SER CA . 52046 1 250 . 1 . 1 91 91 SER CB C 13 63.840 0.018 . 1 . . . . . 144 SER CB . 52046 1 251 . 1 . 1 91 91 SER N N 15 115.765 0.029 . 1 . . . . . 144 SER N . 52046 1 252 . 1 . 1 92 92 MET H H 1 8.524 0.002 . 1 . . . . . 145 MET H . 52046 1 253 . 1 . 1 92 92 MET CA C 13 55.550 0.000 . 1 . . . . . 145 MET CA . 52046 1 254 . 1 . 1 92 92 MET N N 15 122.868 0.015 . 1 . . . . . 145 MET N . 52046 1 255 . 1 . 1 93 93 TRP HE1 H 1 10.428 0.000 . 1 . . . . . 146 TRP HE1 . 52046 1 256 . 1 . 1 93 93 TRP NE1 N 15 129.920 0.000 . 1 . . . . . 146 TRP NE1 . 52046 1 257 . 1 . 1 94 94 THR H H 1 9.430 0.000 . 1 . . . . . 147 THR H . 52046 1 258 . 1 . 1 94 94 THR HG21 H 1 1.202 0.000 . 1 . . . . . 147 THR HG21 . 52046 1 259 . 1 . 1 94 94 THR HG22 H 1 1.202 0.000 . 1 . . . . . 147 THR HG22 . 52046 1 260 . 1 . 1 94 94 THR HG23 H 1 1.202 0.000 . 1 . . . . . 147 THR HG23 . 52046 1 261 . 1 . 1 94 94 THR CG2 C 13 22.329 0.000 . 1 . . . . . 147 THR CG2 . 52046 1 262 . 1 . 1 94 94 THR N N 15 114.110 0.000 . 1 . . . . . 147 THR N . 52046 1 263 . 1 . 1 95 95 GLU H H 1 8.370 0.000 . 1 . . . . . 148 GLU H . 52046 1 264 . 1 . 1 95 95 GLU N N 15 122.962 0.000 . 1 . . . . . 148 GLU N . 52046 1 265 . 1 . 1 96 96 HIS H H 1 8.391 0.000 . 1 . . . . . 149 HIS H . 52046 1 266 . 1 . 1 96 96 HIS N N 15 123.079 0.000 . 1 . . . . . 149 HIS N . 52046 1 267 . 1 . 1 98 98 SER H H 1 9.499 0.000 . 1 . . . . . 151 SER H . 52046 1 268 . 1 . 1 98 98 SER N N 15 120.943 0.000 . 1 . . . . . 151 SER N . 52046 1 269 . 1 . 1 100 100 ASP H H 1 7.806 0.000 . 1 . . . . . 153 ASP H . 52046 1 270 . 1 . 1 100 100 ASP N N 15 112.104 0.000 . 1 . . . . . 153 ASP N . 52046 1 271 . 1 . 1 101 101 GLY H H 1 8.250 0.000 . 1 . . . . . 154 GLY H . 52046 1 272 . 1 . 1 101 101 GLY N N 15 108.075 0.000 . 1 . . . . . 154 GLY N . 52046 1 273 . 1 . 1 102 102 ARG H H 1 7.719 0.000 . 1 . . . . . 155 ARG H . 52046 1 274 . 1 . 1 102 102 ARG N N 15 121.313 0.000 . 1 . . . . . 155 ARG N . 52046 1 275 . 1 . 1 103 103 THR H H 1 8.735 0.000 . 1 . . . . . 156 THR H . 52046 1 276 . 1 . 1 103 103 THR HG21 H 1 0.851 0.000 . 1 . . . . . 156 THR HG21 . 52046 1 277 . 1 . 1 103 103 THR HG22 H 1 0.851 0.000 . 1 . . . . . 156 THR HG22 . 52046 1 278 . 1 . 1 103 103 THR HG23 H 1 0.851 0.000 . 1 . . . . . 156 THR HG23 . 52046 1 279 . 1 . 1 103 103 THR CG2 C 13 21.829 0.000 . 1 . . . . . 156 THR CG2 . 52046 1 280 . 1 . 1 103 103 THR N N 15 121.328 0.000 . 1 . . . . . 156 THR N . 52046 1 281 . 1 . 1 104 104 TYR H H 1 8.699 0.000 . 1 . . . . . 157 TYR H . 52046 1 282 . 1 . 1 104 104 TYR N N 15 122.436 0.000 . 1 . . . . . 157 TYR N . 52046 1 283 . 1 . 1 105 105 TYR H H 1 8.810 0.000 . 1 . . . . . 158 TYR H . 52046 1 284 . 1 . 1 105 105 TYR N N 15 117.506 0.000 . 1 . . . . . 158 TYR N . 52046 1 285 . 1 . 1 106 106 TYR H H 1 9.424 0.000 . 1 . . . . . 159 TYR H . 52046 1 286 . 1 . 1 106 106 TYR N N 15 123.847 0.000 . 1 . . . . . 159 TYR N . 52046 1 287 . 1 . 1 107 107 ASN H H 1 7.993 0.000 . 1 . . . . . 160 ASN H . 52046 1 288 . 1 . 1 107 107 ASN N N 15 129.945 0.000 . 1 . . . . . 160 ASN N . 52046 1 289 . 1 . 1 108 108 THR H H 1 8.246 0.000 . 1 . . . . . 161 THR H . 52046 1 290 . 1 . 1 108 108 THR HG21 H 1 1.333 0.000 . 1 . . . . . 161 THR HG21 . 52046 1 291 . 1 . 1 108 108 THR HG22 H 1 1.333 0.000 . 1 . . . . . 161 THR HG22 . 52046 1 292 . 1 . 1 108 108 THR HG23 H 1 1.333 0.000 . 1 . . . . . 161 THR HG23 . 52046 1 293 . 1 . 1 108 108 THR CG2 C 13 21.893 0.000 . 1 . . . . . 161 THR CG2 . 52046 1 294 . 1 . 1 108 108 THR N N 15 116.307 0.000 . 1 . . . . . 161 THR N . 52046 1 295 . 1 . 1 109 109 GLU H H 1 8.056 0.000 . 1 . . . . . 162 GLU H . 52046 1 296 . 1 . 1 109 109 GLU N N 15 121.266 0.000 . 1 . . . . . 162 GLU N . 52046 1 297 . 1 . 1 110 110 THR H H 1 7.693 0.000 . 1 . . . . . 163 THR H . 52046 1 298 . 1 . 1 110 110 THR HG21 H 1 0.918 0.000 . 1 . . . . . 163 THR HG21 . 52046 1 299 . 1 . 1 110 110 THR HG22 H 1 0.918 0.000 . 1 . . . . . 163 THR HG22 . 52046 1 300 . 1 . 1 110 110 THR HG23 H 1 0.918 0.000 . 1 . . . . . 163 THR HG23 . 52046 1 301 . 1 . 1 110 110 THR CG2 C 13 20.817 0.000 . 1 . . . . . 163 THR CG2 . 52046 1 302 . 1 . 1 110 110 THR N N 15 108.788 0.000 . 1 . . . . . 163 THR N . 52046 1 303 . 1 . 1 111 111 LYS H H 1 7.852 0.000 . 1 . . . . . 164 LYS H . 52046 1 304 . 1 . 1 111 111 LYS N N 15 116.101 0.000 . 1 . . . . . 164 LYS N . 52046 1 305 . 1 . 1 112 112 GLN H H 1 6.955 0.000 . 1 . . . . . 165 GLN H . 52046 1 306 . 1 . 1 112 112 GLN N N 15 117.463 0.000 . 1 . . . . . 165 GLN N . 52046 1 307 . 1 . 1 113 113 SER H H 1 8.474 0.000 . 1 . . . . . 166 SER H . 52046 1 308 . 1 . 1 113 113 SER N N 15 116.084 0.000 . 1 . . . . . 166 SER N . 52046 1 309 . 1 . 1 114 114 THR H H 1 9.308 0.000 . 1 . . . . . 167 THR H . 52046 1 310 . 1 . 1 114 114 THR HG21 H 1 1.206 0.000 . 1 . . . . . 167 THR HG21 . 52046 1 311 . 1 . 1 114 114 THR HG22 H 1 1.206 0.000 . 1 . . . . . 167 THR HG22 . 52046 1 312 . 1 . 1 114 114 THR HG23 H 1 1.206 0.000 . 1 . . . . . 167 THR HG23 . 52046 1 313 . 1 . 1 114 114 THR CG2 C 13 19.868 0.000 . 1 . . . . . 167 THR CG2 . 52046 1 314 . 1 . 1 114 114 THR N N 15 117.144 0.000 . 1 . . . . . 167 THR N . 52046 1 315 . 1 . 1 115 115 TRP H H 1 8.637 0.000 . 1 . . . . . 168 TRP H . 52046 1 316 . 1 . 1 115 115 TRP HE1 H 1 9.897 0.000 . 1 . . . . . 168 TRP HE1 . 52046 1 317 . 1 . 1 115 115 TRP N N 15 125.435 0.000 . 1 . . . . . 168 TRP N . 52046 1 318 . 1 . 1 115 115 TRP NE1 N 15 128.548 0.000 . 1 . . . . . 168 TRP NE1 . 52046 1 319 . 1 . 1 117 117 LYS H H 1 8.309 0.000 . 1 . . . . . 170 LYS H . 52046 1 320 . 1 . 1 117 117 LYS N N 15 126.992 0.000 . 1 . . . . . 170 LYS N . 52046 1 321 . 1 . 1 119 119 ASP H H 1 8.433 0.000 . 1 . . . . . 172 ASP H . 52046 1 322 . 1 . 1 119 119 ASP N N 15 122.509 0.000 . 1 . . . . . 172 ASP N . 52046 1 323 . 1 . 1 120 120 ASP H H 1 8.359 0.000 . 1 . . . . . 173 ASP H . 52046 1 324 . 1 . 1 120 120 ASP N N 15 115.186 0.000 . 1 . . . . . 173 ASP N . 52046 1 325 . 1 . 1 121 121 LEU H H 1 7.232 0.000 . 1 . . . . . 174 LEU H . 52046 1 326 . 1 . 1 121 121 LEU HD11 H 1 0.805 0.000 . 2 . . . . . 174 LEU HD11 . 52046 1 327 . 1 . 1 121 121 LEU HD12 H 1 0.805 0.000 . 2 . . . . . 174 LEU HD12 . 52046 1 328 . 1 . 1 121 121 LEU HD13 H 1 0.805 0.000 . 2 . . . . . 174 LEU HD13 . 52046 1 329 . 1 . 1 121 121 LEU HD21 H 1 0.701 0.000 . 2 . . . . . 174 LEU HD21 . 52046 1 330 . 1 . 1 121 121 LEU HD22 H 1 0.701 0.000 . 2 . . . . . 174 LEU HD22 . 52046 1 331 . 1 . 1 121 121 LEU HD23 H 1 0.701 0.000 . 2 . . . . . 174 LEU HD23 . 52046 1 332 . 1 . 1 121 121 LEU CD1 C 13 22.623 0.000 . 1 . . . . . 174 LEU CD1 . 52046 1 333 . 1 . 1 121 121 LEU CD2 C 13 25.139 0.000 . 1 . . . . . 174 LEU CD2 . 52046 1 334 . 1 . 1 121 121 LEU N N 15 116.063 0.000 . 1 . . . . . 174 LEU N . 52046 1 335 . 1 . 1 122 122 LYS H H 1 7.446 0.000 . 1 . . . . . 175 LYS H . 52046 1 336 . 1 . 1 122 122 LYS N N 15 120.948 0.000 . 1 . . . . . 175 LYS N . 52046 1 337 . 1 . 1 123 123 THR H H 1 8.628 0.000 . 1 . . . . . 176 THR H . 52046 1 338 . 1 . 1 123 123 THR HG21 H 1 1.272 0.000 . 1 . . . . . 176 THR HG21 . 52046 1 339 . 1 . 1 123 123 THR HG22 H 1 1.272 0.000 . 1 . . . . . 176 THR HG22 . 52046 1 340 . 1 . 1 123 123 THR HG23 H 1 1.272 0.000 . 1 . . . . . 176 THR HG23 . 52046 1 341 . 1 . 1 123 123 THR CG2 C 13 21.615 0.000 . 1 . . . . . 176 THR CG2 . 52046 1 342 . 1 . 1 123 123 THR N N 15 115.554 0.000 . 1 . . . . . 176 THR N . 52046 1 343 . 1 . 1 125 125 ALA HB1 H 1 1.310 0.000 . 1 . . . . . 178 ALA HB1 . 52046 1 344 . 1 . 1 125 125 ALA HB2 H 1 1.310 0.000 . 1 . . . . . 178 ALA HB2 . 52046 1 345 . 1 . 1 125 125 ALA HB3 H 1 1.310 0.000 . 1 . . . . . 178 ALA HB3 . 52046 1 346 . 1 . 1 125 125 ALA CB C 13 18.317 0.000 . 1 . . . . . 178 ALA CB . 52046 1 347 . 1 . 1 126 126 GLU H H 1 7.790 0.000 . 1 . . . . . 179 GLU H . 52046 1 348 . 1 . 1 126 126 GLU N N 15 118.183 0.000 . 1 . . . . . 179 GLU N . 52046 1 349 . 1 . 1 128 128 LEU H H 1 7.795 0.000 . 1 . . . . . 181 LEU H . 52046 1 350 . 1 . 1 128 128 LEU HD11 H 1 0.802 0.000 . 2 . . . . . 181 LEU HD11 . 52046 1 351 . 1 . 1 128 128 LEU HD12 H 1 0.802 0.000 . 2 . . . . . 181 LEU HD12 . 52046 1 352 . 1 . 1 128 128 LEU HD13 H 1 0.802 0.000 . 2 . . . . . 181 LEU HD13 . 52046 1 353 . 1 . 1 128 128 LEU HD21 H 1 0.784 0.000 . 2 . . . . . 181 LEU HD21 . 52046 1 354 . 1 . 1 128 128 LEU HD22 H 1 0.784 0.000 . 2 . . . . . 181 LEU HD22 . 52046 1 355 . 1 . 1 128 128 LEU HD23 H 1 0.784 0.000 . 2 . . . . . 181 LEU HD23 . 52046 1 356 . 1 . 1 128 128 LEU CD1 C 13 24.627 0.000 . 1 . . . . . 181 LEU CD1 . 52046 1 357 . 1 . 1 128 128 LEU CD2 C 13 23.277 0.000 . 1 . . . . . 181 LEU CD2 . 52046 1 358 . 1 . 1 128 128 LEU N N 15 120.411 0.000 . 1 . . . . . 181 LEU N . 52046 1 359 . 1 . 1 129 129 LEU H H 1 7.835 0.000 . 1 . . . . . 182 LEU H . 52046 1 360 . 1 . 1 129 129 LEU HD11 H 1 0.858 0.000 . 2 . . . . . 182 LEU HD11 . 52046 1 361 . 1 . 1 129 129 LEU HD12 H 1 0.858 0.000 . 2 . . . . . 182 LEU HD12 . 52046 1 362 . 1 . 1 129 129 LEU HD13 H 1 0.858 0.000 . 2 . . . . . 182 LEU HD13 . 52046 1 363 . 1 . 1 129 129 LEU HD21 H 1 0.840 0.000 . 2 . . . . . 182 LEU HD21 . 52046 1 364 . 1 . 1 129 129 LEU HD22 H 1 0.840 0.000 . 2 . . . . . 182 LEU HD22 . 52046 1 365 . 1 . 1 129 129 LEU HD23 H 1 0.840 0.000 . 2 . . . . . 182 LEU HD23 . 52046 1 366 . 1 . 1 129 129 LEU CD1 C 13 24.645 0.000 . 1 . . . . . 182 LEU CD1 . 52046 1 367 . 1 . 1 129 129 LEU CD2 C 13 23.738 0.000 . 1 . . . . . 182 LEU CD2 . 52046 1 368 . 1 . 1 129 129 LEU N N 15 119.635 0.000 . 1 . . . . . 182 LEU N . 52046 1 369 . 1 . 1 130 130 SER H H 1 7.801 0.000 . 1 . . . . . 183 SER H . 52046 1 370 . 1 . 1 130 130 SER N N 15 113.990 0.000 . 1 . . . . . 183 SER N . 52046 1 371 . 1 . 1 131 131 LYS H H 1 7.623 0.000 . 1 . . . . . 184 LYS H . 52046 1 372 . 1 . 1 131 131 LYS N N 15 120.048 0.000 . 1 . . . . . 184 LYS N . 52046 1 373 . 1 . 1 132 132 CYS H H 1 7.802 0.000 . 1 . . . . . 185 CYS H . 52046 1 374 . 1 . 1 132 132 CYS N N 15 122.394 0.000 . 1 . . . . . 185 CYS N . 52046 1 375 . 1 . 1 134 134 TRP H H 1 7.369 0.000 . 1 . . . . . 187 TRP H . 52046 1 376 . 1 . 1 134 134 TRP HE1 H 1 10.368 0.000 . 1 . . . . . 187 TRP HE1 . 52046 1 377 . 1 . 1 134 134 TRP N N 15 118.882 0.000 . 1 . . . . . 187 TRP N . 52046 1 378 . 1 . 1 134 134 TRP NE1 N 15 129.891 0.000 . 1 . . . . . 187 TRP NE1 . 52046 1 379 . 1 . 1 135 135 LYS H H 1 8.732 0.000 . 1 . . . . . 188 LYS H . 52046 1 380 . 1 . 1 135 135 LYS N N 15 120.601 0.000 . 1 . . . . . 188 LYS N . 52046 1 381 . 1 . 1 136 136 GLU H H 1 8.416 0.000 . 1 . . . . . 189 GLU H . 52046 1 382 . 1 . 1 136 136 GLU N N 15 123.855 0.000 . 1 . . . . . 189 GLU N . 52046 1 383 . 1 . 1 137 137 TYR H H 1 8.556 0.000 . 1 . . . . . 190 TYR H . 52046 1 384 . 1 . 1 137 137 TYR N N 15 127.117 0.000 . 1 . . . . . 190 TYR N . 52046 1 385 . 1 . 1 138 138 LYS H H 1 8.317 0.000 . 1 . . . . . 191 LYS H . 52046 1 386 . 1 . 1 138 138 LYS N N 15 117.767 0.000 . 1 . . . . . 191 LYS N . 52046 1 387 . 1 . 1 139 139 SER H H 1 8.856 0.000 . 1 . . . . . 192 SER H . 52046 1 388 . 1 . 1 139 139 SER N N 15 119.634 0.000 . 1 . . . . . 192 SER N . 52046 1 389 . 1 . 1 140 140 ASP H H 1 9.164 0.000 . 1 . . . . . 193 ASP H . 52046 1 390 . 1 . 1 140 140 ASP N N 15 122.367 0.000 . 1 . . . . . 193 ASP N . 52046 1 391 . 1 . 1 141 141 SER H H 1 7.959 0.000 . 1 . . . . . 194 SER H . 52046 1 392 . 1 . 1 141 141 SER N N 15 112.096 0.000 . 1 . . . . . 194 SER N . 52046 1 393 . 1 . 1 142 142 GLY H H 1 8.090 0.000 . 1 . . . . . 195 GLY H . 52046 1 394 . 1 . 1 142 142 GLY N N 15 111.280 0.000 . 1 . . . . . 195 GLY N . 52046 1 395 . 1 . 1 143 143 LYS H H 1 7.544 0.000 . 1 . . . . . 196 LYS H . 52046 1 396 . 1 . 1 143 143 LYS N N 15 122.117 0.000 . 1 . . . . . 196 LYS N . 52046 1 397 . 1 . 1 145 145 TYR H H 1 8.401 0.000 . 1 . . . . . 198 TYR H . 52046 1 398 . 1 . 1 145 145 TYR N N 15 116.542 0.000 . 1 . . . . . 198 TYR N . 52046 1 399 . 1 . 1 146 146 TYR H H 1 8.836 0.000 . 1 . . . . . 199 TYR H . 52046 1 400 . 1 . 1 146 146 TYR N N 15 117.168 0.000 . 1 . . . . . 199 TYR N . 52046 1 401 . 1 . 1 147 147 TYR H H 1 9.202 0.000 . 1 . . . . . 200 TYR H . 52046 1 402 . 1 . 1 147 147 TYR N N 15 123.926 0.000 . 1 . . . . . 200 TYR N . 52046 1 403 . 1 . 1 148 148 ASN H H 1 7.933 0.000 . 1 . . . . . 201 ASN H . 52046 1 404 . 1 . 1 148 148 ASN N N 15 130.797 0.000 . 1 . . . . . 201 ASN N . 52046 1 405 . 1 . 1 151 151 THR H H 1 7.381 0.000 . 1 . . . . . 204 THR H . 52046 1 406 . 1 . 1 151 151 THR HG21 H 1 0.918 0.000 . 1 . . . . . 204 THR HG21 . 52046 1 407 . 1 . 1 151 151 THR HG22 H 1 0.918 0.000 . 1 . . . . . 204 THR HG22 . 52046 1 408 . 1 . 1 151 151 THR HG23 H 1 0.918 0.000 . 1 . . . . . 204 THR HG23 . 52046 1 409 . 1 . 1 151 151 THR CG2 C 13 20.817 0.000 . 1 . . . . . 204 THR CG2 . 52046 1 410 . 1 . 1 151 151 THR N N 15 108.718 0.000 . 1 . . . . . 204 THR N . 52046 1 411 . 1 . 1 152 152 LYS H H 1 7.894 0.000 . 1 . . . . . 205 LYS H . 52046 1 412 . 1 . 1 152 152 LYS N N 15 116.004 0.000 . 1 . . . . . 205 LYS N . 52046 1 413 . 1 . 1 153 153 GLU H H 1 7.134 0.000 . 1 . . . . . 206 GLU H . 52046 1 414 . 1 . 1 153 153 GLU N N 15 119.808 0.000 . 1 . . . . . 206 GLU N . 52046 1 415 . 1 . 1 155 155 ARG H H 1 9.602 0.000 . 1 . . . . . 208 ARG H . 52046 1 416 . 1 . 1 155 155 ARG N N 15 121.479 0.000 . 1 . . . . . 208 ARG N . 52046 1 417 . 1 . 1 156 156 TRP H H 1 8.641 0.000 . 1 . . . . . 209 TRP H . 52046 1 418 . 1 . 1 156 156 TRP HE1 H 1 9.967 0.000 . 1 . . . . . 209 TRP HE1 . 52046 1 419 . 1 . 1 156 156 TRP N N 15 120.263 0.014 . 1 . . . . . 209 TRP N . 52046 1 420 . 1 . 1 156 156 TRP NE1 N 15 128.853 0.000 . 1 . . . . . 209 TRP NE1 . 52046 1 421 . 1 . 1 157 157 ALA H H 1 7.572 0.000 . 1 . . . . . 210 ALA H . 52046 1 422 . 1 . 1 157 157 ALA HB1 H 1 1.214 0.000 . 1 . . . . . 210 ALA HB1 . 52046 1 423 . 1 . 1 157 157 ALA HB2 H 1 1.214 0.000 . 1 . . . . . 210 ALA HB2 . 52046 1 424 . 1 . 1 157 157 ALA HB3 H 1 1.214 0.000 . 1 . . . . . 210 ALA HB3 . 52046 1 425 . 1 . 1 157 157 ALA CB C 13 19.565 0.000 . 1 . . . . . 210 ALA CB . 52046 1 426 . 1 . 1 157 157 ALA N N 15 121.325 0.000 . 1 . . . . . 210 ALA N . 52046 1 427 . 1 . 1 158 158 LYS H H 1 8.328 0.000 . 1 . . . . . 211 LYS H . 52046 1 428 . 1 . 1 158 158 LYS N N 15 125.854 0.000 . 1 . . . . . 211 LYS N . 52046 1 429 . 1 . 1 160 160 LYS H H 1 8.528 0.000 . 1 . . . . . 213 LYS H . 52046 1 430 . 1 . 1 160 160 LYS N N 15 126.647 0.000 . 1 . . . . . 213 LYS N . 52046 1 431 . 1 . 1 161 161 GLU H H 1 9.463 0.000 . 1 . . . . . 214 GLU H . 52046 1 432 . 1 . 1 161 161 GLU N N 15 116.294 0.000 . 1 . . . . . 214 GLU N . 52046 1 433 . 1 . 1 162 162 LEU H H 1 6.785 0.000 . 1 . . . . . 215 LEU H . 52046 1 434 . 1 . 1 162 162 LEU HD11 H 1 0.891 0.000 . 2 . . . . . 215 LEU HD11 . 52046 1 435 . 1 . 1 162 162 LEU HD12 H 1 0.891 0.000 . 2 . . . . . 215 LEU HD12 . 52046 1 436 . 1 . 1 162 162 LEU HD13 H 1 0.891 0.000 . 2 . . . . . 215 LEU HD13 . 52046 1 437 . 1 . 1 162 162 LEU HD21 H 1 0.847 0.000 . 2 . . . . . 215 LEU HD21 . 52046 1 438 . 1 . 1 162 162 LEU HD22 H 1 0.847 0.000 . 2 . . . . . 215 LEU HD22 . 52046 1 439 . 1 . 1 162 162 LEU HD23 H 1 0.847 0.000 . 2 . . . . . 215 LEU HD23 . 52046 1 440 . 1 . 1 162 162 LEU CD1 C 13 24.369 0.000 . 1 . . . . . 215 LEU CD1 . 52046 1 441 . 1 . 1 162 162 LEU CD2 C 13 24.596 0.000 . 1 . . . . . 215 LEU CD2 . 52046 1 442 . 1 . 1 162 162 LEU N N 15 115.992 0.000 . 1 . . . . . 215 LEU N . 52046 1 443 . 1 . 1 163 163 GLU H H 1 7.524 0.000 . 1 . . . . . 216 GLU H . 52046 1 444 . 1 . 1 163 163 GLU N N 15 120.882 0.000 . 1 . . . . . 216 GLU N . 52046 1 445 . 1 . 1 164 164 ASP H H 1 8.578 0.000 . 1 . . . . . 217 ASP H . 52046 1 446 . 1 . 1 164 164 ASP N N 15 118.545 0.000 . 1 . . . . . 217 ASP N . 52046 1 447 . 1 . 1 165 165 LEU H H 1 7.412 0.000 . 1 . . . . . 218 LEU H . 52046 1 448 . 1 . 1 165 165 LEU HD11 H 1 0.937 0.000 . 2 . . . . . 218 LEU HD11 . 52046 1 449 . 1 . 1 165 165 LEU HD12 H 1 0.937 0.000 . 2 . . . . . 218 LEU HD12 . 52046 1 450 . 1 . 1 165 165 LEU HD13 H 1 0.937 0.000 . 2 . . . . . 218 LEU HD13 . 52046 1 451 . 1 . 1 165 165 LEU HD21 H 1 0.866 0.000 . 2 . . . . . 218 LEU HD21 . 52046 1 452 . 1 . 1 165 165 LEU HD22 H 1 0.866 0.000 . 2 . . . . . 218 LEU HD22 . 52046 1 453 . 1 . 1 165 165 LEU HD23 H 1 0.866 0.000 . 2 . . . . . 218 LEU HD23 . 52046 1 454 . 1 . 1 165 165 LEU CD1 C 13 25.062 0.000 . 1 . . . . . 218 LEU CD1 . 52046 1 455 . 1 . 1 165 165 LEU CD2 C 13 23.802 0.000 . 1 . . . . . 218 LEU CD2 . 52046 1 456 . 1 . 1 165 165 LEU N N 15 120.623 0.000 . 1 . . . . . 218 LEU N . 52046 1 457 . 1 . 1 166 166 GLU H H 1 8.045 0.000 . 1 . . . . . 219 GLU H . 52046 1 458 . 1 . 1 166 166 GLU CA C 13 58.081 0.060 . 1 . . . . . 219 GLU CA . 52046 1 459 . 1 . 1 166 166 GLU N N 15 119.291 0.000 . 1 . . . . . 219 GLU N . 52046 1 460 . 1 . 1 167 167 GLY H H 1 8.002 0.001 . 1 . . . . . 220 GLY H . 52046 1 461 . 1 . 1 167 167 GLY CA C 13 45.745 0.053 . 1 . . . . . 220 GLY CA . 52046 1 462 . 1 . 1 167 167 GLY N N 15 107.186 0.029 . 1 . . . . . 220 GLY N . 52046 1 463 . 1 . 1 168 168 TYR H H 1 7.813 0.003 . 1 . . . . . 221 TYR H . 52046 1 464 . 1 . 1 168 168 TYR CA C 13 58.900 0.002 . 1 . . . . . 221 TYR CA . 52046 1 465 . 1 . 1 168 168 TYR CB C 13 38.162 0.015 . 1 . . . . . 221 TYR CB . 52046 1 466 . 1 . 1 168 168 TYR N N 15 120.521 0.008 . 1 . . . . . 221 TYR N . 52046 1 467 . 1 . 1 169 169 GLN H H 1 8.160 0.002 . 1 . . . . . 222 GLN H . 52046 1 468 . 1 . 1 169 169 GLN CA C 13 56.396 0.013 . 1 . . . . . 222 GLN CA . 52046 1 469 . 1 . 1 169 169 GLN CB C 13 28.895 0.021 . 1 . . . . . 222 GLN CB . 52046 1 470 . 1 . 1 169 169 GLN N N 15 120.300 0.009 . 1 . . . . . 222 GLN N . 52046 1 471 . 1 . 1 170 170 ASN H H 1 8.150 0.002 . 1 . . . . . 223 ASN H . 52046 1 472 . 1 . 1 170 170 ASN CA C 13 53.601 0.022 . 1 . . . . . 223 ASN CA . 52046 1 473 . 1 . 1 170 170 ASN CB C 13 38.577 0.042 . 1 . . . . . 223 ASN CB . 52046 1 474 . 1 . 1 170 170 ASN N N 15 118.296 0.008 . 1 . . . . . 223 ASN N . 52046 1 475 . 1 . 1 171 171 THR H H 1 7.936 0.002 . 1 . . . . . 224 THR H . 52046 1 476 . 1 . 1 171 171 THR HG21 H 1 1.123 0.000 . 1 . . . . . 224 THR HG21 . 52046 1 477 . 1 . 1 171 171 THR HG22 H 1 1.123 0.000 . 1 . . . . . 224 THR HG22 . 52046 1 478 . 1 . 1 171 171 THR HG23 H 1 1.123 0.000 . 1 . . . . . 224 THR HG23 . 52046 1 479 . 1 . 1 171 171 THR CA C 13 62.643 0.016 . 1 . . . . . 224 THR CA . 52046 1 480 . 1 . 1 171 171 THR CB C 13 69.501 0.012 . 1 . . . . . 224 THR CB . 52046 1 481 . 1 . 1 171 171 THR CG2 C 13 21.353 0.046 . 1 . . . . . 224 THR CG2 . 52046 1 482 . 1 . 1 171 171 THR N N 15 114.356 0.008 . 1 . . . . . 224 THR N . 52046 1 483 . 1 . 1 172 172 ILE H H 1 7.934 0.002 . 1 . . . . . 225 ILE H . 52046 1 484 . 1 . 1 172 172 ILE HG21 H 1 0.777 0.000 . 1 . . . . . 225 ILE HG21 . 52046 1 485 . 1 . 1 172 172 ILE HG22 H 1 0.777 0.000 . 1 . . . . . 225 ILE HG22 . 52046 1 486 . 1 . 1 172 172 ILE HG23 H 1 0.777 0.000 . 1 . . . . . 225 ILE HG23 . 52046 1 487 . 1 . 1 172 172 ILE HD11 H 1 0.734 0.000 . 1 . . . . . 225 ILE HD11 . 52046 1 488 . 1 . 1 172 172 ILE HD12 H 1 0.734 0.000 . 1 . . . . . 225 ILE HD12 . 52046 1 489 . 1 . 1 172 172 ILE HD13 H 1 0.734 0.000 . 1 . . . . . 225 ILE HD13 . 52046 1 490 . 1 . 1 172 172 ILE CA C 13 61.357 0.075 . 1 . . . . . 225 ILE CA . 52046 1 491 . 1 . 1 172 172 ILE CB C 13 38.061 0.010 . 1 . . . . . 225 ILE CB . 52046 1 492 . 1 . 1 172 172 ILE CG2 C 13 17.141 0.019 . 1 . . . . . 225 ILE CG2 . 52046 1 493 . 1 . 1 172 172 ILE CD1 C 13 12.433 0.040 . 1 . . . . . 225 ILE CD1 . 52046 1 494 . 1 . 1 172 172 ILE N N 15 123.254 0.010 . 1 . . . . . 225 ILE N . 52046 1 495 . 1 . 1 173 173 VAL H H 1 8.070 0.001 . 1 . . . . . 226 VAL H . 52046 1 496 . 1 . 1 173 173 VAL HG11 H 1 0.868 0.000 . 2 . . . . . 226 VAL HG11 . 52046 1 497 . 1 . 1 173 173 VAL HG12 H 1 0.868 0.000 . 2 . . . . . 226 VAL HG12 . 52046 1 498 . 1 . 1 173 173 VAL HG13 H 1 0.868 0.000 . 2 . . . . . 226 VAL HG13 . 52046 1 499 . 1 . 1 173 173 VAL HG21 H 1 0.855 0.000 . 2 . . . . . 226 VAL HG21 . 52046 1 500 . 1 . 1 173 173 VAL HG22 H 1 0.855 0.000 . 2 . . . . . 226 VAL HG22 . 52046 1 501 . 1 . 1 173 173 VAL HG23 H 1 0.855 0.000 . 2 . . . . . 226 VAL HG23 . 52046 1 502 . 1 . 1 173 173 VAL CA C 13 62.382 0.077 . 1 . . . . . 226 VAL CA . 52046 1 503 . 1 . 1 173 173 VAL CB C 13 32.347 0.036 . 1 . . . . . 226 VAL CB . 52046 1 504 . 1 . 1 173 173 VAL CG1 C 13 20.638 0.112 . 1 . . . . . 226 VAL CG1 . 52046 1 505 . 1 . 1 173 173 VAL CG2 C 13 20.804 0.053 . 1 . . . . . 226 VAL CG2 . 52046 1 506 . 1 . 1 173 173 VAL N N 15 124.099 0.016 . 1 . . . . . 226 VAL N . 52046 1 507 . 1 . 1 174 174 ALA H H 1 8.300 0.000 . 1 . . . . . 227 ALA H . 52046 1 508 . 1 . 1 174 174 ALA HB1 H 1 1.322 0.000 . 1 . . . . . 227 ALA HB1 . 52046 1 509 . 1 . 1 174 174 ALA HB2 H 1 1.322 0.000 . 1 . . . . . 227 ALA HB2 . 52046 1 510 . 1 . 1 174 174 ALA HB3 H 1 1.322 0.000 . 1 . . . . . 227 ALA HB3 . 52046 1 511 . 1 . 1 174 174 ALA CA C 13 52.668 0.097 . 1 . . . . . 227 ALA CA . 52046 1 512 . 1 . 1 174 174 ALA CB C 13 18.837 0.055 . 1 . . . . . 227 ALA CB . 52046 1 513 . 1 . 1 174 174 ALA N N 15 127.711 0.009 . 1 . . . . . 227 ALA N . 52046 1 514 . 1 . 1 175 175 GLY H H 1 8.252 0.001 . 1 . . . . . 228 GLY H . 52046 1 515 . 1 . 1 175 175 GLY CA C 13 45.256 0.006 . 1 . . . . . 228 GLY CA . 52046 1 516 . 1 . 1 175 175 GLY N N 15 107.748 0.030 . 1 . . . . . 228 GLY N . 52046 1 517 . 1 . 1 176 176 SER H H 1 8.019 0.002 . 1 . . . . . 229 SER H . 52046 1 518 . 1 . 1 176 176 SER CA C 13 58.288 0.048 . 1 . . . . . 229 SER CA . 52046 1 519 . 1 . 1 176 176 SER CB C 13 63.727 0.055 . 1 . . . . . 229 SER CB . 52046 1 520 . 1 . 1 176 176 SER N N 15 115.244 0.002 . 1 . . . . . 229 SER N . 52046 1 521 . 1 . 1 177 177 LEU H H 1 8.161 0.001 . 1 . . . . . 230 LEU H . 52046 1 522 . 1 . 1 177 177 LEU HD11 H 1 0.839 0.000 . 2 . . . . . 230 LEU HD11 . 52046 1 523 . 1 . 1 177 177 LEU HD12 H 1 0.839 0.000 . 2 . . . . . 230 LEU HD12 . 52046 1 524 . 1 . 1 177 177 LEU HD13 H 1 0.839 0.000 . 2 . . . . . 230 LEU HD13 . 52046 1 525 . 1 . 1 177 177 LEU HD21 H 1 0.784 0.000 . 2 . . . . . 230 LEU HD21 . 52046 1 526 . 1 . 1 177 177 LEU HD22 H 1 0.784 0.000 . 2 . . . . . 230 LEU HD22 . 52046 1 527 . 1 . 1 177 177 LEU HD23 H 1 0.784 0.000 . 2 . . . . . 230 LEU HD23 . 52046 1 528 . 1 . 1 177 177 LEU CA C 13 55.098 0.017 . 1 . . . . . 230 LEU CA . 52046 1 529 . 1 . 1 177 177 LEU CB C 13 42.013 0.040 . 1 . . . . . 230 LEU CB . 52046 1 530 . 1 . 1 177 177 LEU CD1 C 13 24.546 0.002 . 1 . . . . . 230 LEU CD1 . 52046 1 531 . 1 . 1 177 177 LEU CD2 C 13 23.296 0.018 . 1 . . . . . 230 LEU CD2 . 52046 1 532 . 1 . 1 177 177 LEU N N 15 123.679 0.004 . 1 . . . . . 230 LEU N . 52046 1 533 . 1 . 1 178 178 ILE H H 1 8.013 0.002 . 1 . . . . . 231 ILE H . 52046 1 534 . 1 . 1 178 178 ILE HG21 H 1 0.825 0.000 . 1 . . . . . 231 ILE HG21 . 52046 1 535 . 1 . 1 178 178 ILE HG22 H 1 0.825 0.000 . 1 . . . . . 231 ILE HG22 . 52046 1 536 . 1 . 1 178 178 ILE HG23 H 1 0.825 0.000 . 1 . . . . . 231 ILE HG23 . 52046 1 537 . 1 . 1 178 178 ILE HD11 H 1 0.778 0.000 . 1 . . . . . 231 ILE HD11 . 52046 1 538 . 1 . 1 178 178 ILE HD12 H 1 0.778 0.000 . 1 . . . . . 231 ILE HD12 . 52046 1 539 . 1 . 1 178 178 ILE HD13 H 1 0.778 0.000 . 1 . . . . . 231 ILE HD13 . 52046 1 540 . 1 . 1 178 178 ILE CA C 13 60.759 0.074 . 1 . . . . . 231 ILE CA . 52046 1 541 . 1 . 1 178 178 ILE CB C 13 38.262 0.050 . 1 . . . . . 231 ILE CB . 52046 1 542 . 1 . 1 178 178 ILE CG2 C 13 17.202 0.009 . 1 . . . . . 231 ILE CG2 . 52046 1 543 . 1 . 1 178 178 ILE CD1 C 13 12.431 0.022 . 1 . . . . . 231 ILE CD1 . 52046 1 544 . 1 . 1 178 178 ILE N N 15 121.740 0.010 . 1 . . . . . 231 ILE N . 52046 1 545 . 1 . 1 179 179 THR H H 1 8.134 0.001 . 1 . . . . . 232 THR H . 52046 1 546 . 1 . 1 179 179 THR HG21 H 1 1.130 0.000 . 1 . . . . . 232 THR HG21 . 52046 1 547 . 1 . 1 179 179 THR HG22 H 1 1.130 0.000 . 1 . . . . . 232 THR HG22 . 52046 1 548 . 1 . 1 179 179 THR HG23 H 1 1.130 0.000 . 1 . . . . . 232 THR HG23 . 52046 1 549 . 1 . 1 179 179 THR CA C 13 61.539 0.019 . 1 . . . . . 232 THR CA . 52046 1 550 . 1 . 1 179 179 THR CB C 13 69.624 0.019 . 1 . . . . . 232 THR CB . 52046 1 551 . 1 . 1 179 179 THR CG2 C 13 21.320 0.005 . 1 . . . . . 232 THR CG2 . 52046 1 552 . 1 . 1 179 179 THR N N 15 118.859 0.011 . 1 . . . . . 232 THR N . 52046 1 553 . 1 . 1 180 180 LYS H H 1 8.251 0.001 . 1 . . . . . 233 LYS H . 52046 1 554 . 1 . 1 180 180 LYS CA C 13 56.062 0.002 . 1 . . . . . 233 LYS CA . 52046 1 555 . 1 . 1 180 180 LYS CB C 13 33.105 0.037 . 1 . . . . . 233 LYS CB . 52046 1 556 . 1 . 1 180 180 LYS N N 15 124.293 0.007 . 1 . . . . . 233 LYS N . 52046 1 557 . 1 . 1 181 181 SER H H 1 8.367 0.001 . 1 . . . . . 234 SER H . 52046 1 558 . 1 . 1 181 181 SER CA C 13 58.049 0.019 . 1 . . . . . 234 SER CA . 52046 1 559 . 1 . 1 181 181 SER CB C 13 63.834 0.067 . 1 . . . . . 234 SER CB . 52046 1 560 . 1 . 1 181 181 SER N N 15 118.140 0.002 . 1 . . . . . 234 SER N . 52046 1 561 . 1 . 1 182 182 ASN H H 1 8.014 0.001 . 1 . . . . . 235 ASN H . 52046 1 562 . 1 . 1 182 182 ASN CA C 13 54.681 0.000 . 1 . . . . . 235 ASN CA . 52046 1 563 . 1 . 1 182 182 ASN CB C 13 40.039 0.000 . 1 . . . . . 235 ASN CB . 52046 1 564 . 1 . 1 182 182 ASN N N 15 125.901 0.002 . 1 . . . . . 235 ASN N . 52046 1 stop_ save_