################################### # 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 51748 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'MERS Nsp9' _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 '1D 1H' . . . 51748 1 2 '2D 1H-15N HSQC' . . . 51748 1 3 '3D CBCA(CO)NH' . . . 51748 1 4 '3D HNCACB' . . . 51748 1 5 '3D HNCO' . . . 51748 1 6 '3D HN(CA)CO' . . . 51748 1 7 '3D 1H-15N NOESY' . . . 51748 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 2 $software_2 . . 51748 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 ASN HD21 H 1 7.606 0.001 . . . 5 . . . 2 N HD21 . 51748 1 2 . 1 . 1 2 2 ASN HD22 H 1 6.947 0.003 . . . 6 . . . 2 N HD22 . 51748 1 3 . 1 . 1 2 2 ASN C C 13 174.697 0.091 . . . 2 . . . 2 N C . 51748 1 4 . 1 . 1 2 2 ASN CA C 13 53.523 0.034 . . . 6 . . . 2 N CA . 51748 1 5 . 1 . 1 2 2 ASN CB C 13 38.646 0.031 . . . 5 . . . 2 N CB . 51748 1 6 . 1 . 1 2 2 ASN CG C 13 177.166 0.037 . . . 2 . . . 2 N CG . 51748 1 7 . 1 . 1 2 2 ASN ND2 N 15 112.495 0.214 . . . 11 . . . 2 N ND2 . 51748 1 8 . 1 . 1 3 3 GLU H H 1 8.448 0.001 . . . 10 . . . 3 E H . 51748 1 9 . 1 . 1 3 3 GLU C C 13 176.236 0.027 . . . 2 . . . 3 E C . 51748 1 10 . 1 . 1 3 3 GLU CA C 13 56.918 0.031 . . . 3 . . . 3 E CA . 51748 1 11 . 1 . 1 3 3 GLU CB C 13 30.311 0.020 . . . 3 . . . 3 E CB . 51748 1 12 . 1 . 1 3 3 GLU N N 15 121.169 0.055 . . . 10 . . . 3 E N . 51748 1 13 . 1 . 1 4 4 ILE H H 1 8.263 0.001 . . . 9 . . . 4 I H . 51748 1 14 . 1 . 1 4 4 ILE C C 13 176.034 0.047 . . . 2 . . . 4 I C . 51748 1 15 . 1 . 1 4 4 ILE CA C 13 60.999 0.068 . . . 2 . . . 4 I CA . 51748 1 16 . 1 . 1 4 4 ILE CB C 13 38.452 0.002 . . . 2 . . . 4 I CB . 51748 1 17 . 1 . 1 4 4 ILE N N 15 122.719 0.037 . . . 9 . . . 4 I N . 51748 1 18 . 1 . 1 5 5 LYS H H 1 8.449 0.002 . . . 7 . . . 5 K H . 51748 1 19 . 1 . 1 5 5 LYS C C 13 174.469 0.000 . . . 1 . . . 5 K C . 51748 1 20 . 1 . 1 5 5 LYS CA C 13 54.023 0.000 . . . 1 . . . 5 K CA . 51748 1 21 . 1 . 1 5 5 LYS CB C 13 32.511 0.000 . . . 1 . . . 5 K CB . 51748 1 22 . 1 . 1 5 5 LYS N N 15 127.457 0.065 . . . 7 . . . 5 K N . 51748 1 23 . 1 . 1 7 7 SER CA C 13 58.677 0.024 . . . 2 . . . 7 S CA . 51748 1 24 . 1 . 1 7 7 SER CB C 13 63.995 0.000 . . . 1 . . . 7 S CB . 51748 1 25 . 1 . 1 8 8 GLY H H 1 8.447 0.004 . . . 5 . . . 8 G H . 51748 1 26 . 1 . 1 8 8 GLY CA C 13 45.450 0.000 . . . 1 . . . 8 G CA . 51748 1 27 . 1 . 1 8 8 GLY N N 15 110.799 0.038 . . . 5 . . . 8 G N . 51748 1 28 . 1 . 1 12 12 MET C C 13 172.435 0.081 . . . 2 . . . 12 M C . 51748 1 29 . 1 . 1 12 12 MET CA C 13 54.806 0.043 . . . 2 . . . 12 M CA . 51748 1 30 . 1 . 1 12 12 MET CB C 13 35.015 0.067 . . . 2 . . . 12 M CB . 51748 1 31 . 1 . 1 13 13 VAL H H 1 8.471 0.007 . . . 9 . . . 13 V H . 51748 1 32 . 1 . 1 13 13 VAL C C 13 176.616 0.082 . . . 2 . . . 13 V C . 51748 1 33 . 1 . 1 13 13 VAL CA C 13 62.328 0.075 . . . 3 . . . 13 V CA . 51748 1 34 . 1 . 1 13 13 VAL CB C 13 32.736 0.051 . . . 3 . . . 13 V CB . 51748 1 35 . 1 . 1 13 13 VAL N N 15 120.975 0.051 . . . 9 . . . 13 V N . 51748 1 36 . 1 . 1 14 14 VAL H H 1 8.918 0.003 . . . 10 . . . 14 V H . 51748 1 37 . 1 . 1 14 14 VAL C C 13 174.547 0.052 . . . 3 . . . 14 V C . 51748 1 38 . 1 . 1 14 14 VAL CA C 13 58.566 0.038 . . . 2 . . . 14 V CA . 51748 1 39 . 1 . 1 14 14 VAL CB C 13 35.228 0.035 . . . 3 . . . 14 V CB . 51748 1 40 . 1 . 1 14 14 VAL N N 15 120.674 0.047 . . . 10 . . . 14 V N . 51748 1 41 . 1 . 1 15 15 SER H H 1 8.344 0.002 . . . 9 . . . 15 S H . 51748 1 42 . 1 . 1 15 15 SER C C 13 172.555 0.043 . . . 2 . . . 15 S C . 51748 1 43 . 1 . 1 15 15 SER CA C 13 58.527 0.004 . . . 3 . . . 15 S CA . 51748 1 44 . 1 . 1 15 15 SER CB C 13 64.094 0.008 . . . 3 . . . 15 S CB . 51748 1 45 . 1 . 1 15 15 SER N N 15 117.628 0.033 . . . 9 . . . 15 S N . 51748 1 46 . 1 . 1 16 16 ALA H H 1 8.978 0.005 . . . 9 . . . 16 A H . 51748 1 47 . 1 . 1 16 16 ALA C C 13 175.449 0.065 . . . 3 . . . 16 A C . 51748 1 48 . 1 . 1 16 16 ALA CA C 13 50.869 0.033 . . . 3 . . . 16 A CA . 51748 1 49 . 1 . 1 16 16 ALA CB C 13 24.823 0.012 . . . 3 . . . 16 A CB . 51748 1 50 . 1 . 1 16 16 ALA N N 15 126.481 0.018 . . . 9 . . . 16 A N . 51748 1 51 . 1 . 1 17 17 GLY H H 1 8.875 0.002 . . . 8 . . . 17 G H . 51748 1 52 . 1 . 1 17 17 GLY C C 13 173.669 0.000 . . . 1 . . . 17 G C . 51748 1 53 . 1 . 1 17 17 GLY CA C 13 45.982 0.012 . . . 3 . . . 17 G CA . 51748 1 54 . 1 . 1 17 17 GLY N N 15 104.832 0.031 . . . 8 . . . 17 G N . 51748 1 55 . 1 . 1 18 18 GLN H H 1 9.295 0.002 . . . 8 . . . 18 Q H . 51748 1 56 . 1 . 1 18 18 GLN HE21 H 1 7.614 0.003 . . . 7 . . . 18 Q HE21 . 51748 1 57 . 1 . 1 18 18 GLN HE22 H 1 6.851 0.001 . . . 6 . . . 18 Q HE22 . 51748 1 58 . 1 . 1 18 18 GLN C C 13 174.832 0.024 . . . 3 . . . 18 Q C . 51748 1 59 . 1 . 1 18 18 GLN CA C 13 58.719 0.082 . . . 3 . . . 18 Q CA . 51748 1 60 . 1 . 1 18 18 GLN CB C 13 29.906 0.055 . . . 7 . . . 18 Q CB . 51748 1 61 . 1 . 1 18 18 GLN CG C 13 34.557 0.078 . . . 4 . . . 18 Q CG . 51748 1 62 . 1 . 1 18 18 GLN CD C 13 180.106 0.007 . . . 2 . . . 18 Q CD . 51748 1 63 . 1 . 1 18 18 GLN N N 15 122.448 0.033 . . . 7 . . . 18 Q N . 51748 1 64 . 1 . 1 18 18 GLN NE2 N 15 111.098 0.236 . . . 13 . . . 18 Q NE2 . 51748 1 65 . 1 . 1 19 19 GLU H H 1 7.892 0.001 . . . 10 . . . 19 E H . 51748 1 66 . 1 . 1 19 19 GLU C C 13 176.151 0.006 . . . 2 . . . 19 E C . 51748 1 67 . 1 . 1 19 19 GLU CA C 13 54.310 0.041 . . . 3 . . . 19 E CA . 51748 1 68 . 1 . 1 19 19 GLU CB C 13 33.005 0.107 . . . 3 . . . 19 E CB . 51748 1 69 . 1 . 1 19 19 GLU N N 15 114.929 0.033 . . . 10 . . . 19 E N . 51748 1 70 . 1 . 1 20 20 GLN H H 1 8.411 0.002 . . . 9 . . . 20 Q H . 51748 1 71 . 1 . 1 20 20 GLN HE21 H 1 6.533 0.003 . . . 6 . . . 20 Q HE21 . 51748 1 72 . 1 . 1 20 20 GLN HE22 H 1 6.277 0.090 . . . 9 . . . 20 Q HE22 . 51748 1 73 . 1 . 1 20 20 GLN C C 13 176.391 0.096 . . . 3 . . . 20 Q C . 51748 1 74 . 1 . 1 20 20 GLN CA C 13 59.404 0.058 . . . 3 . . . 20 Q CA . 51748 1 75 . 1 . 1 20 20 GLN CB C 13 28.218 0.052 . . . 7 . . . 20 Q CB . 51748 1 76 . 1 . 1 20 20 GLN CG C 13 32.947 0.077 . . . 4 . . . 20 Q CG . 51748 1 77 . 1 . 1 20 20 GLN CD C 13 178.966 0.001 . . . 2 . . . 20 Q CD . 51748 1 78 . 1 . 1 20 20 GLN N N 15 121.949 0.058 . . . 9 . . . 20 Q N . 51748 1 79 . 1 . 1 20 20 GLN NE2 N 15 110.360 0.239 . . . 15 . . . 20 Q NE2 . 51748 1 80 . 1 . 1 21 21 THR H H 1 7.221 0.010 . . . 12 . . . 21 T H . 51748 1 81 . 1 . 1 21 21 THR C C 13 173.739 0.056 . . . 2 . . . 21 T C . 51748 1 82 . 1 . 1 21 21 THR CA C 13 61.072 0.074 . . . 3 . . . 21 T CA . 51748 1 83 . 1 . 1 21 21 THR CB C 13 69.008 0.023 . . . 3 . . . 21 T CB . 51748 1 84 . 1 . 1 21 21 THR N N 15 103.229 0.037 . . . 10 . . . 21 T N . 51748 1 85 . 1 . 1 22 22 ASN H H 1 7.431 0.004 . . . 11 . . . 22 N H . 51748 1 86 . 1 . 1 22 22 ASN HD21 H 1 7.552 0.002 . . . 5 . . . 22 N HD21 . 51748 1 87 . 1 . 1 22 22 ASN HD22 H 1 6.663 0.002 . . . 6 . . . 22 N HD22 . 51748 1 88 . 1 . 1 22 22 ASN C C 13 174.149 0.070 . . . 2 . . . 22 N C . 51748 1 89 . 1 . 1 22 22 ASN CA C 13 52.113 0.027 . . . 7 . . . 22 N CA . 51748 1 90 . 1 . 1 22 22 ASN CB C 13 38.657 0.030 . . . 5 . . . 22 N CB . 51748 1 91 . 1 . 1 22 22 ASN CG C 13 176.933 0.002 . . . 2 . . . 22 N CG . 51748 1 92 . 1 . 1 22 22 ASN N N 15 120.497 0.039 . . . 9 . . . 22 N N . 51748 1 93 . 1 . 1 22 22 ASN ND2 N 15 110.736 0.244 . . . 11 . . . 22 N ND2 . 51748 1 94 . 1 . 1 23 23 CYS H H 1 8.607 0.004 . . . 9 . . . 23 C H . 51748 1 95 . 1 . 1 23 23 CYS C C 13 173.765 0.015 . . . 3 . . . 23 C C . 51748 1 96 . 1 . 1 23 23 CYS CA C 13 59.446 0.062 . . . 3 . . . 23 C CA . 51748 1 97 . 1 . 1 23 23 CYS CB C 13 26.105 0.029 . . . 3 . . . 23 C CB . 51748 1 98 . 1 . 1 23 23 CYS N N 15 121.903 0.039 . . . 9 . . . 23 C N . 51748 1 99 . 1 . 1 24 24 ASN H H 1 8.035 0.002 . . . 10 . . . 24 N H . 51748 1 100 . 1 . 1 24 24 ASN HD21 H 1 7.490 0.001 . . . 6 . . . 24 N HD21 . 51748 1 101 . 1 . 1 24 24 ASN HD22 H 1 6.905 0.003 . . . 4 . . . 24 N HD22 . 51748 1 102 . 1 . 1 24 24 ASN C C 13 175.214 0.036 . . . 2 . . . 24 N C . 51748 1 103 . 1 . 1 24 24 ASN CA C 13 52.806 0.027 . . . 6 . . . 24 N CA . 51748 1 104 . 1 . 1 24 24 ASN CB C 13 39.530 0.058 . . . 6 . . . 24 N CB . 51748 1 105 . 1 . 1 24 24 ASN CG C 13 177.723 0.015 . . . 2 . . . 24 N CG . 51748 1 106 . 1 . 1 24 24 ASN N N 15 121.231 0.043 . . . 10 . . . 24 N N . 51748 1 107 . 1 . 1 24 24 ASN ND2 N 15 111.961 0.223 . . . 10 . . . 24 N ND2 . 51748 1 108 . 1 . 1 25 25 THR H H 1 9.164 0.002 . . . 9 . . . 25 T H . 51748 1 109 . 1 . 1 25 25 THR C C 13 174.238 0.018 . . . 2 . . . 25 T C . 51748 1 110 . 1 . 1 25 25 THR CA C 13 62.056 0.052 . . . 3 . . . 25 T CA . 51748 1 111 . 1 . 1 25 25 THR CB C 13 70.245 0.011 . . . 3 . . . 25 T CB . 51748 1 112 . 1 . 1 25 25 THR N N 15 118.959 0.029 . . . 9 . . . 25 T N . 51748 1 113 . 1 . 1 26 26 SER H H 1 9.002 0.002 . . . 9 . . . 26 S H . 51748 1 114 . 1 . 1 26 26 SER C C 13 174.512 0.062 . . . 3 . . . 26 S C . 51748 1 115 . 1 . 1 26 26 SER CA C 13 59.126 0.046 . . . 3 . . . 26 S CA . 51748 1 116 . 1 . 1 26 26 SER CB C 13 63.766 0.037 . . . 3 . . . 26 S CB . 51748 1 117 . 1 . 1 26 26 SER N N 15 124.233 0.040 . . . 9 . . . 26 S N . 51748 1 118 . 1 . 1 27 27 SER H H 1 9.241 0.002 . . . 10 . . . 27 S H . 51748 1 119 . 1 . 1 27 27 SER C C 13 172.107 0.025 . . . 3 . . . 27 S C . 51748 1 120 . 1 . 1 27 27 SER CA C 13 57.823 0.032 . . . 3 . . . 27 S CA . 51748 1 121 . 1 . 1 27 27 SER CB C 13 67.011 0.021 . . . 3 . . . 27 S CB . 51748 1 122 . 1 . 1 27 27 SER N N 15 119.778 0.031 . . . 10 . . . 27 S N . 51748 1 123 . 1 . 1 28 28 LEU H H 1 8.222 0.002 . . . 10 . . . 28 L H . 51748 1 124 . 1 . 1 28 28 LEU C C 13 175.341 0.008 . . . 2 . . . 28 L C . 51748 1 125 . 1 . 1 28 28 LEU CA C 13 56.324 0.035 . . . 2 . . . 28 L CA . 51748 1 126 . 1 . 1 28 28 LEU CB C 13 43.051 0.065 . . . 2 . . . 28 L CB . 51748 1 127 . 1 . 1 28 28 LEU N N 15 128.058 0.074 . . . 10 . . . 28 L N . 51748 1 128 . 1 . 1 29 29 ALA H H 1 9.247 0.006 . . . 6 . . . 29 A H . 51748 1 129 . 1 . 1 29 29 ALA C C 13 175.334 0.023 . . . 2 . . . 29 A C . 51748 1 130 . 1 . 1 29 29 ALA CA C 13 50.395 0.047 . . . 3 . . . 29 A CA . 51748 1 131 . 1 . 1 29 29 ALA CB C 13 24.180 0.098 . . . 2 . . . 29 A CB . 51748 1 132 . 1 . 1 29 29 ALA N N 15 128.086 0.064 . . . 6 . . . 29 A N . 51748 1 133 . 1 . 1 30 30 TYR H H 1 8.935 0.006 . . . 8 . . . 30 Y H . 51748 1 134 . 1 . 1 30 30 TYR C C 13 175.789 0.126 . . . 2 . . . 30 Y C . 51748 1 135 . 1 . 1 30 30 TYR CA C 13 56.465 0.015 . . . 2 . . . 30 Y CA . 51748 1 136 . 1 . 1 30 30 TYR N N 15 117.351 0.019 . . . 8 . . . 30 Y N . 51748 1 137 . 1 . 1 31 31 TYR H H 1 9.358 0.002 . . . 6 . . . 31 Y H . 51748 1 138 . 1 . 1 31 31 TYR C C 13 170.750 0.017 . . . 2 . . . 31 Y C . 51748 1 139 . 1 . 1 31 31 TYR CA C 13 55.510 0.038 . . . 3 . . . 31 Y CA . 51748 1 140 . 1 . 1 31 31 TYR CB C 13 42.941 0.011 . . . 2 . . . 31 Y CB . 51748 1 141 . 1 . 1 31 31 TYR N N 15 121.322 0.025 . . . 6 . . . 31 Y N . 51748 1 142 . 1 . 1 32 32 GLU H H 1 8.548 0.007 . . . 8 . . . 32 E H . 51748 1 143 . 1 . 1 32 32 GLU C C 13 173.474 0.000 . . . 1 . . . 32 E C . 51748 1 144 . 1 . 1 32 32 GLU CA C 13 52.467 0.000 . . . 1 . . . 32 E CA . 51748 1 145 . 1 . 1 32 32 GLU CB C 13 33.567 0.000 . . . 1 . . . 32 E CB . 51748 1 146 . 1 . 1 32 32 GLU N N 15 120.489 0.041 . . . 8 . . . 32 E N . 51748 1 147 . 1 . 1 33 33 PRO C C 13 176.443 0.000 . . . 1 . . . 33 P C . 51748 1 148 . 1 . 1 33 33 PRO CA C 13 61.988 0.000 . . . 1 . . . 33 P CA . 51748 1 149 . 1 . 1 33 33 PRO CB C 13 31.411 0.054 . . . 2 . . . 33 P CB . 51748 1 150 . 1 . 1 34 34 VAL H H 1 8.719 0.003 . . . 8 . . . 34 V H . 51748 1 151 . 1 . 1 34 34 VAL C C 13 175.789 0.167 . . . 2 . . . 34 V C . 51748 1 152 . 1 . 1 34 34 VAL CA C 13 61.921 0.014 . . . 3 . . . 34 V CA . 51748 1 153 . 1 . 1 34 34 VAL CB C 13 34.307 0.009 . . . 3 . . . 34 V CB . 51748 1 154 . 1 . 1 34 34 VAL N N 15 125.722 0.030 . . . 8 . . . 34 V N . 51748 1 155 . 1 . 1 35 35 GLN H H 1 9.319 0.003 . . . 9 . . . 35 Q H . 51748 1 156 . 1 . 1 35 35 GLN HE21 H 1 7.558 0.001 . . . 6 . . . 35 Q HE21 . 51748 1 157 . 1 . 1 35 35 GLN HE22 H 1 6.880 0.002 . . . 6 . . . 35 Q HE22 . 51748 1 158 . 1 . 1 35 35 GLN C C 13 175.958 0.015 . . . 3 . . . 35 Q C . 51748 1 159 . 1 . 1 35 35 GLN CA C 13 56.981 0.017 . . . 3 . . . 35 Q CA . 51748 1 160 . 1 . 1 35 35 GLN CB C 13 27.252 0.047 . . . 7 . . . 35 Q CB . 51748 1 161 . 1 . 1 35 35 GLN CG C 13 34.375 0.025 . . . 4 . . . 35 Q CG . 51748 1 162 . 1 . 1 35 35 GLN CD C 13 180.861 0.013 . . . 2 . . . 35 Q CD . 51748 1 163 . 1 . 1 35 35 GLN N N 15 125.573 0.047 . . . 9 . . . 35 Q N . 51748 1 164 . 1 . 1 35 35 GLN NE2 N 15 111.912 0.198 . . . 12 . . . 35 Q NE2 . 51748 1 165 . 1 . 1 36 36 GLY H H 1 8.600 0.002 . . . 9 . . . 36 G H . 51748 1 166 . 1 . 1 36 36 GLY C C 13 173.944 0.086 . . . 2 . . . 36 G C . 51748 1 167 . 1 . 1 36 36 GLY CA C 13 45.691 0.041 . . . 3 . . . 36 G CA . 51748 1 168 . 1 . 1 36 36 GLY N N 15 105.986 0.046 . . . 9 . . . 36 G N . 51748 1 169 . 1 . 1 37 37 ARG H H 1 8.098 0.001 . . . 7 . . . 37 R H . 51748 1 170 . 1 . 1 37 37 ARG C C 13 175.610 0.004 . . . 2 . . . 37 R C . 51748 1 171 . 1 . 1 37 37 ARG CA C 13 54.553 0.056 . . . 2 . . . 37 R CA . 51748 1 172 . 1 . 1 37 37 ARG CB C 13 32.362 0.068 . . . 2 . . . 37 R CB . 51748 1 173 . 1 . 1 37 37 ARG N N 15 120.540 0.052 . . . 7 . . . 37 R N . 51748 1 174 . 1 . 1 38 38 LYS H H 1 8.630 0.006 . . . 6 . . . 38 K H . 51748 1 175 . 1 . 1 38 38 LYS C C 13 174.867 0.000 . . . 1 . . . 38 K C . 51748 1 176 . 1 . 1 38 38 LYS CA C 13 56.732 0.123 . . . 3 . . . 38 K CA . 51748 1 177 . 1 . 1 38 38 LYS CB C 13 32.339 0.033 . . . 3 . . . 38 K CB . 51748 1 178 . 1 . 1 38 38 LYS N N 15 121.957 0.043 . . . 6 . . . 38 K N . 51748 1 179 . 1 . 1 39 39 MET H H 1 8.531 0.002 . . . 9 . . . 39 M H . 51748 1 180 . 1 . 1 39 39 MET C C 13 174.927 0.010 . . . 2 . . . 39 M C . 51748 1 181 . 1 . 1 39 39 MET CA C 13 53.976 0.033 . . . 2 . . . 39 M CA . 51748 1 182 . 1 . 1 39 39 MET CB C 13 31.469 0.088 . . . 2 . . . 39 M CB . 51748 1 183 . 1 . 1 39 39 MET N N 15 124.338 0.054 . . . 9 . . . 39 M N . 51748 1 184 . 1 . 1 40 40 LEU H H 1 8.675 0.004 . . . 7 . . . 40 L H . 51748 1 185 . 1 . 1 40 40 LEU C C 13 175.695 0.000 . . . 2 . . . 40 L C . 51748 1 186 . 1 . 1 40 40 LEU CA C 13 56.572 0.094 . . . 2 . . . 40 L CA . 51748 1 187 . 1 . 1 40 40 LEU CB C 13 42.692 0.054 . . . 3 . . . 40 L CB . 51748 1 188 . 1 . 1 40 40 LEU N N 15 129.145 0.045 . . . 7 . . . 40 L N . 51748 1 189 . 1 . 1 41 41 MET H H 1 8.972 0.003 . . . 7 . . . 41 M H . 51748 1 190 . 1 . 1 41 41 MET C C 13 175.267 0.000 . . . 1 . . . 41 M C . 51748 1 191 . 1 . 1 41 41 MET CA C 13 56.720 0.046 . . . 3 . . . 41 M CA . 51748 1 192 . 1 . 1 41 41 MET CB C 13 36.799 0.053 . . . 2 . . . 41 M CB . 51748 1 193 . 1 . 1 41 41 MET N N 15 120.389 0.059 . . . 7 . . . 41 M N . 51748 1 194 . 1 . 1 42 42 ALA H H 1 7.708 0.003 . . . 8 . . . 42 A H . 51748 1 195 . 1 . 1 42 42 ALA C C 13 174.905 0.003 . . . 2 . . . 42 A C . 51748 1 196 . 1 . 1 42 42 ALA CA C 13 51.345 0.044 . . . 3 . . . 42 A CA . 51748 1 197 . 1 . 1 42 42 ALA CB C 13 24.610 0.022 . . . 3 . . . 42 A CB . 51748 1 198 . 1 . 1 42 42 ALA N N 15 116.384 0.033 . . . 8 . . . 42 A N . 51748 1 199 . 1 . 1 43 43 LEU H H 1 9.276 0.003 . . . 9 . . . 43 L H . 51748 1 200 . 1 . 1 43 43 LEU C C 13 174.829 0.021 . . . 2 . . . 43 L C . 51748 1 201 . 1 . 1 43 43 LEU CA C 13 54.666 0.047 . . . 2 . . . 43 L CA . 51748 1 202 . 1 . 1 43 43 LEU CB C 13 46.063 0.039 . . . 2 . . . 43 L CB . 51748 1 203 . 1 . 1 43 43 LEU N N 15 120.226 0.064 . . . 9 . . . 43 L N . 51748 1 204 . 1 . 1 44 44 LEU H H 1 8.641 0.006 . . . 7 . . . 44 L H . 51748 1 205 . 1 . 1 44 44 LEU C C 13 175.265 0.130 . . . 2 . . . 44 L C . 51748 1 206 . 1 . 1 44 44 LEU CA C 13 54.004 0.086 . . . 3 . . . 44 L CA . 51748 1 207 . 1 . 1 44 44 LEU CB C 13 46.228 0.027 . . . 3 . . . 44 L CB . 51748 1 208 . 1 . 1 44 44 LEU N N 15 123.602 0.059 . . . 7 . . . 44 L N . 51748 1 209 . 1 . 1 45 45 SER H H 1 9.190 0.003 . . . 9 . . . 45 S H . 51748 1 210 . 1 . 1 45 45 SER C C 13 173.151 0.000 . . . 1 . . . 45 S C . 51748 1 211 . 1 . 1 45 45 SER CA C 13 56.653 0.000 . . . 1 . . . 45 S CA . 51748 1 212 . 1 . 1 45 45 SER CB C 13 66.050 0.000 . . . 1 . . . 45 S CB . 51748 1 213 . 1 . 1 45 45 SER N N 15 118.108 0.022 . . . 9 . . . 45 S N . 51748 1 214 . 1 . 1 46 46 ASP C C 13 174.823 0.000 . . . 1 . . . 46 D C . 51748 1 215 . 1 . 1 46 46 ASP CA C 13 54.260 0.000 . . . 1 . . . 46 D CA . 51748 1 216 . 1 . 1 46 46 ASP CB C 13 40.195 0.000 . . . 1 . . . 46 D CB . 51748 1 217 . 1 . 1 47 47 ASN H H 1 9.208 0.002 . . . 7 . . . 47 N H . 51748 1 218 . 1 . 1 47 47 ASN C C 13 175.824 0.092 . . . 3 . . . 47 N C . 51748 1 219 . 1 . 1 47 47 ASN CA C 13 53.293 0.067 . . . 2 . . . 47 N CA . 51748 1 220 . 1 . 1 47 47 ASN CB C 13 40.951 0.047 . . . 3 . . . 47 N CB . 51748 1 221 . 1 . 1 47 47 ASN N N 15 122.514 0.017 . . . 7 . . . 47 N N . 51748 1 222 . 1 . 1 48 48 ALA H H 1 8.288 0.003 . . . 9 . . . 48 A H . 51748 1 223 . 1 . 1 48 48 ALA C C 13 177.845 0.078 . . . 3 . . . 48 A C . 51748 1 224 . 1 . 1 48 48 ALA CA C 13 53.200 0.015 . . . 2 . . . 48 A CA . 51748 1 225 . 1 . 1 48 48 ALA CB C 13 19.302 0.001 . . . 2 . . . 48 A CB . 51748 1 226 . 1 . 1 48 48 ALA N N 15 129.477 0.106 . . . 9 . . . 48 A N . 51748 1 227 . 1 . 1 49 49 TYR H H 1 8.329 0.003 . . . 8 . . . 49 Y H . 51748 1 228 . 1 . 1 49 49 TYR C C 13 175.684 0.019 . . . 2 . . . 49 Y C . 51748 1 229 . 1 . 1 49 49 TYR CA C 13 57.814 0.050 . . . 2 . . . 49 Y CA . 51748 1 230 . 1 . 1 49 49 TYR CB C 13 38.648 0.008 . . . 2 . . . 49 Y CB . 51748 1 231 . 1 . 1 49 49 TYR N N 15 116.801 0.064 . . . 8 . . . 49 Y N . 51748 1 232 . 1 . 1 50 50 LEU H H 1 7.682 0.002 . . . 7 . . . 50 L H . 51748 1 233 . 1 . 1 50 50 LEU C C 13 176.623 0.015 . . . 3 . . . 50 L C . 51748 1 234 . 1 . 1 50 50 LEU CA C 13 55.625 0.022 . . . 3 . . . 50 L CA . 51748 1 235 . 1 . 1 50 50 LEU CB C 13 41.297 0.058 . . . 3 . . . 50 L CB . 51748 1 236 . 1 . 1 50 50 LEU N N 15 117.765 0.050 . . . 7 . . . 50 L N . 51748 1 237 . 1 . 1 51 51 LYS H H 1 8.288 0.003 . . . 11 . . . 51 K H . 51748 1 238 . 1 . 1 51 51 LYS C C 13 173.544 0.072 . . . 3 . . . 51 K C . 51748 1 239 . 1 . 1 51 51 LYS CA C 13 56.995 0.047 . . . 3 . . . 51 K CA . 51748 1 240 . 1 . 1 51 51 LYS CB C 13 37.694 0.053 . . . 3 . . . 51 K CB . 51748 1 241 . 1 . 1 51 51 LYS N N 15 118.107 0.047 . . . 11 . . . 51 K N . 51748 1 242 . 1 . 1 52 52 TRP H H 1 7.966 0.003 . . . 9 . . . 52 W H . 51748 1 243 . 1 . 1 52 52 TRP C C 13 173.933 0.070 . . . 2 . . . 52 W C . 51748 1 244 . 1 . 1 52 52 TRP CA C 13 55.654 0.055 . . . 3 . . . 52 W CA . 51748 1 245 . 1 . 1 52 52 TRP CB C 13 34.542 0.016 . . . 3 . . . 52 W CB . 51748 1 246 . 1 . 1 52 52 TRP N N 15 117.884 0.039 . . . 9 . . . 52 W N . 51748 1 247 . 1 . 1 53 53 ALA H H 1 9.324 0.002 . . . 9 . . . 53 A H . 51748 1 248 . 1 . 1 53 53 ALA C C 13 175.548 0.015 . . . 2 . . . 53 A C . 51748 1 249 . 1 . 1 53 53 ALA CA C 13 50.348 0.048 . . . 3 . . . 53 A CA . 51748 1 250 . 1 . 1 53 53 ALA CB C 13 23.270 0.018 . . . 3 . . . 53 A CB . 51748 1 251 . 1 . 1 53 53 ALA N N 15 120.717 0.035 . . . 9 . . . 53 A N . 51748 1 252 . 1 . 1 54 54 ARG H H 1 8.524 0.001 . . . 9 . . . 54 R H . 51748 1 253 . 1 . 1 54 54 ARG C C 13 174.961 0.047 . . . 2 . . . 54 R C . 51748 1 254 . 1 . 1 54 54 ARG CA C 13 55.107 0.052 . . . 3 . . . 54 R CA . 51748 1 255 . 1 . 1 54 54 ARG CB C 13 32.720 0.039 . . . 3 . . . 54 R CB . 51748 1 256 . 1 . 1 54 54 ARG N N 15 121.932 0.053 . . . 9 . . . 54 R N . 51748 1 257 . 1 . 1 55 55 VAL H H 1 9.014 0.002 . . . 9 . . . 55 V H . 51748 1 258 . 1 . 1 55 55 VAL C C 13 174.666 0.076 . . . 3 . . . 55 V C . 51748 1 259 . 1 . 1 55 55 VAL CA C 13 60.303 0.039 . . . 3 . . . 55 V CA . 51748 1 260 . 1 . 1 55 55 VAL CB C 13 35.162 0.002 . . . 3 . . . 55 V CB . 51748 1 261 . 1 . 1 55 55 VAL N N 15 122.696 0.036 . . . 9 . . . 55 V N . 51748 1 262 . 1 . 1 56 56 GLU H H 1 8.939 0.001 . . . 10 . . . 56 E H . 51748 1 263 . 1 . 1 56 56 GLU C C 13 176.125 0.029 . . . 3 . . . 56 E C . 51748 1 264 . 1 . 1 56 56 GLU CA C 13 57.402 0.045 . . . 3 . . . 56 E CA . 51748 1 265 . 1 . 1 56 56 GLU CB C 13 30.203 0.010 . . . 3 . . . 56 E CB . 51748 1 266 . 1 . 1 56 56 GLU N N 15 127.058 0.049 . . . 10 . . . 56 E N . 51748 1 267 . 1 . 1 57 57 GLY H H 1 8.055 0.001 . . . 8 . . . 57 G H . 51748 1 268 . 1 . 1 57 57 GLY CA C 13 44.324 0.037 . . . 3 . . . 57 G CA . 51748 1 269 . 1 . 1 57 57 GLY N N 15 113.854 0.036 . . . 8 . . . 57 G N . 51748 1 270 . 1 . 1 58 58 LYS H H 1 8.624 0.009 . . . 5 . . . 58 K H . 51748 1 271 . 1 . 1 58 58 LYS C C 13 177.084 0.062 . . . 3 . . . 58 K C . 51748 1 272 . 1 . 1 58 58 LYS CA C 13 58.881 0.043 . . . 3 . . . 58 K CA . 51748 1 273 . 1 . 1 58 58 LYS CB C 13 32.410 0.049 . . . 2 . . . 58 K CB . 51748 1 274 . 1 . 1 58 58 LYS N N 15 121.961 0.051 . . . 5 . . . 58 K N . 51748 1 275 . 1 . 1 59 59 ASP H H 1 8.429 0.001 . . . 10 . . . 59 D H . 51748 1 276 . 1 . 1 59 59 ASP C C 13 175.037 0.056 . . . 3 . . . 59 D C . 51748 1 277 . 1 . 1 59 59 ASP CA C 13 53.761 0.058 . . . 3 . . . 59 D CA . 51748 1 278 . 1 . 1 59 59 ASP CB C 13 41.316 0.019 . . . 3 . . . 59 D CB . 51748 1 279 . 1 . 1 59 59 ASP N N 15 116.970 0.034 . . . 10 . . . 59 D N . 51748 1 280 . 1 . 1 60 60 GLY H H 1 7.433 0.001 . . . 9 . . . 60 G H . 51748 1 281 . 1 . 1 60 60 GLY C C 13 173.312 0.023 . . . 2 . . . 60 G C . 51748 1 282 . 1 . 1 60 60 GLY CA C 13 44.590 0.007 . . . 3 . . . 60 G CA . 51748 1 283 . 1 . 1 60 60 GLY N N 15 107.935 0.028 . . . 9 . . . 60 G N . 51748 1 284 . 1 . 1 61 61 PHE H H 1 8.557 0.001 . . . 7 . . . 61 F H . 51748 1 285 . 1 . 1 61 61 PHE C C 13 175.989 0.041 . . . 3 . . . 61 F C . 51748 1 286 . 1 . 1 61 61 PHE CA C 13 58.261 0.056 . . . 3 . . . 61 F CA . 51748 1 287 . 1 . 1 61 61 PHE CB C 13 41.168 0.031 . . . 3 . . . 61 F CB . 51748 1 288 . 1 . 1 61 61 PHE N N 15 119.420 0.051 . . . 7 . . . 61 F N . 51748 1 289 . 1 . 1 62 62 VAL H H 1 9.173 0.002 . . . 10 . . . 62 V H . 51748 1 290 . 1 . 1 62 62 VAL C C 13 174.940 0.028 . . . 2 . . . 62 V C . 51748 1 291 . 1 . 1 62 62 VAL CA C 13 60.744 0.042 . . . 3 . . . 62 V CA . 51748 1 292 . 1 . 1 62 62 VAL CB C 13 35.158 0.012 . . . 3 . . . 62 V CB . 51748 1 293 . 1 . 1 62 62 VAL N N 15 120.171 0.036 . . . 10 . . . 62 V N . 51748 1 294 . 1 . 1 63 63 SER H H 1 8.666 0.001 . . . 9 . . . 63 S H . 51748 1 295 . 1 . 1 63 63 SER C C 13 174.392 0.133 . . . 2 . . . 63 S C . 51748 1 296 . 1 . 1 63 63 SER CA C 13 57.948 0.063 . . . 3 . . . 63 S CA . 51748 1 297 . 1 . 1 63 63 SER CB C 13 64.448 0.050 . . . 3 . . . 63 S CB . 51748 1 298 . 1 . 1 63 63 SER N N 15 120.285 0.044 . . . 9 . . . 63 S N . 51748 1 299 . 1 . 1 64 64 VAL H H 1 9.511 0.003 . . . 9 . . . 64 V H . 51748 1 300 . 1 . 1 64 64 VAL C C 13 173.627 0.030 . . . 3 . . . 64 V C . 51748 1 301 . 1 . 1 64 64 VAL CA C 13 61.410 0.054 . . . 3 . . . 64 V CA . 51748 1 302 . 1 . 1 64 64 VAL CB C 13 35.051 0.032 . . . 3 . . . 64 V CB . 51748 1 303 . 1 . 1 64 64 VAL N N 15 125.748 0.023 . . . 9 . . . 64 V N . 51748 1 304 . 1 . 1 65 65 GLU H H 1 8.768 0.002 . . . 10 . . . 65 E H . 51748 1 305 . 1 . 1 65 65 GLU C C 13 175.177 0.031 . . . 2 . . . 65 E C . 51748 1 306 . 1 . 1 65 65 GLU CA C 13 56.353 0.040 . . . 3 . . . 65 E CA . 51748 1 307 . 1 . 1 65 65 GLU CB C 13 30.762 0.009 . . . 2 . . . 65 E CB . 51748 1 308 . 1 . 1 65 65 GLU N N 15 129.231 0.051 . . . 10 . . . 65 E N . 51748 1 309 . 1 . 1 66 66 LEU H H 1 7.362 0.004 . . . 8 . . . 66 L H . 51748 1 310 . 1 . 1 66 66 LEU C C 13 177.209 0.069 . . . 3 . . . 66 L C . 51748 1 311 . 1 . 1 66 66 LEU CA C 13 53.070 0.067 . . . 3 . . . 66 L CA . 51748 1 312 . 1 . 1 66 66 LEU CB C 13 43.322 0.067 . . . 3 . . . 66 L CB . 51748 1 313 . 1 . 1 66 66 LEU N N 15 122.202 0.053 . . . 8 . . . 66 L N . 51748 1 314 . 1 . 1 67 67 GLN H H 1 8.567 0.003 . . . 10 . . . 67 Q H . 51748 1 315 . 1 . 1 67 67 GLN C C 13 173.317 0.000 . . . 1 . . . 67 Q C . 51748 1 316 . 1 . 1 67 67 GLN CA C 13 55.472 0.000 . . . 1 . . . 67 Q CA . 51748 1 317 . 1 . 1 67 67 GLN CB C 13 28.148 0.000 . . . 1 . . . 67 Q CB . 51748 1 318 . 1 . 1 67 67 GLN N N 15 119.964 0.052 . . . 10 . . . 67 Q N . 51748 1 319 . 1 . 1 75 75 ALA C C 13 176.845 0.015 . . . 2 . . . 75 A C . 51748 1 320 . 1 . 1 75 75 ALA CA C 13 52.017 0.005 . . . 2 . . . 75 A CA . 51748 1 321 . 1 . 1 75 75 ALA CB C 13 18.673 0.000 . . . 1 . . . 75 A CB . 51748 1 322 . 1 . 1 76 76 GLY H H 1 7.701 0.004 . . . 8 . . . 76 G H . 51748 1 323 . 1 . 1 76 76 GLY C C 13 172.882 0.000 . . . 1 . . . 76 G C . 51748 1 324 . 1 . 1 76 76 GLY CA C 13 44.486 0.000 . . . 1 . . . 76 G CA . 51748 1 325 . 1 . 1 76 76 GLY N N 15 112.095 0.033 . . . 8 . . . 76 G N . 51748 1 326 . 1 . 1 80 80 PRO C C 13 177.219 0.040 . . . 2 . . . 80 P C . 51748 1 327 . 1 . 1 80 80 PRO CA C 13 62.758 0.078 . . . 2 . . . 80 P CA . 51748 1 328 . 1 . 1 80 80 PRO CB C 13 32.714 0.000 . . . 1 . . . 80 P CB . 51748 1 329 . 1 . 1 81 81 GLU H H 1 9.049 0.003 . . . 9 . . . 81 E H . 51748 1 330 . 1 . 1 81 81 GLU C C 13 174.560 0.035 . . . 2 . . . 81 E C . 51748 1 331 . 1 . 1 81 81 GLU CA C 13 54.579 0.056 . . . 3 . . . 81 E CA . 51748 1 332 . 1 . 1 81 81 GLU CB C 13 34.158 0.022 . . . 3 . . . 81 E CB . 51748 1 333 . 1 . 1 81 81 GLU N N 15 121.565 0.049 . . . 9 . . . 81 E N . 51748 1 334 . 1 . 1 82 82 ILE H H 1 8.496 0.003 . . . 8 . . . 82 I H . 51748 1 335 . 1 . 1 82 82 ILE CA C 13 61.323 0.000 . . . 1 . . . 82 I CA . 51748 1 336 . 1 . 1 82 82 ILE CB C 13 38.766 0.000 . . . 1 . . . 82 I CB . 51748 1 337 . 1 . 1 82 82 ILE N N 15 122.196 0.023 . . . 8 . . . 82 I N . 51748 1 338 . 1 . 1 83 83 ARG C C 13 177.434 0.105 . . . 2 . . . 83 R C . 51748 1 339 . 1 . 1 83 83 ARG CA C 13 62.665 0.022 . . . 2 . . . 83 R CA . 51748 1 340 . 1 . 1 83 83 ARG CB C 13 32.244 0.000 . . . 1 . . . 83 R CB . 51748 1 341 . 1 . 1 84 84 TYR H H 1 8.520 0.003 . . . 9 . . . 84 Y H . 51748 1 342 . 1 . 1 84 84 TYR C C 13 173.515 0.002 . . . 2 . . . 84 Y C . 51748 1 343 . 1 . 1 84 84 TYR CA C 13 57.054 0.010 . . . 2 . . . 84 Y CA . 51748 1 344 . 1 . 1 84 84 TYR CB C 13 29.158 0.000 . . . 1 . . . 84 Y CB . 51748 1 345 . 1 . 1 84 84 TYR N N 15 118.163 0.057 . . . 9 . . . 84 Y N . 51748 1 346 . 1 . 1 85 85 LEU H H 1 8.890 0.007 . . . 5 . . . 85 L H . 51748 1 347 . 1 . 1 85 85 LEU C C 13 175.226 0.061 . . . 2 . . . 85 L C . 51748 1 348 . 1 . 1 85 85 LEU CA C 13 52.967 0.040 . . . 3 . . . 85 L CA . 51748 1 349 . 1 . 1 85 85 LEU CB C 13 44.820 0.067 . . . 2 . . . 85 L CB . 51748 1 350 . 1 . 1 85 85 LEU N N 15 124.906 0.029 . . . 5 . . . 85 L N . 51748 1 351 . 1 . 1 86 86 TYR H H 1 9.608 0.007 . . . 9 . . . 86 Y H . 51748 1 352 . 1 . 1 86 86 TYR C C 13 175.595 0.003 . . . 2 . . . 86 Y C . 51748 1 353 . 1 . 1 86 86 TYR CA C 13 55.809 0.110 . . . 3 . . . 86 Y CA . 51748 1 354 . 1 . 1 86 86 TYR CB C 13 41.082 0.021 . . . 2 . . . 86 Y CB . 51748 1 355 . 1 . 1 86 86 TYR N N 15 127.427 0.027 . . . 9 . . . 86 Y N . 51748 1 356 . 1 . 1 87 87 PHE H H 1 8.839 0.003 . . . 8 . . . 87 F H . 51748 1 357 . 1 . 1 87 87 PHE C C 13 176.183 0.094 . . . 2 . . . 87 F C . 51748 1 358 . 1 . 1 87 87 PHE CA C 13 57.925 0.028 . . . 2 . . . 87 F CA . 51748 1 359 . 1 . 1 87 87 PHE CB C 13 40.569 0.050 . . . 2 . . . 87 F CB . 51748 1 360 . 1 . 1 87 87 PHE N N 15 122.299 0.062 . . . 8 . . . 87 F N . 51748 1 361 . 1 . 1 88 88 VAL H H 1 7.594 0.002 . . . 7 . . . 88 V H . 51748 1 362 . 1 . 1 88 88 VAL C C 13 176.492 0.000 . . . 1 . . . 88 V C . 51748 1 363 . 1 . 1 88 88 VAL CA C 13 62.502 0.000 . . . 1 . . . 88 V CA . 51748 1 364 . 1 . 1 88 88 VAL CB C 13 32.399 0.000 . . . 1 . . . 88 V CB . 51748 1 365 . 1 . 1 88 88 VAL N N 15 115.691 0.054 . . . 7 . . . 88 V N . 51748 1 366 . 1 . 1 89 89 LYS C C 13 176.797 0.096 . . . 2 . . . 89 K C . 51748 1 367 . 1 . 1 89 89 LYS CA C 13 59.011 0.026 . . . 2 . . . 89 K CA . 51748 1 368 . 1 . 1 89 89 LYS CB C 13 33.039 0.062 . . . 2 . . . 89 K CB . 51748 1 369 . 1 . 1 90 90 ASN H H 1 8.970 0.004 . . . 10 . . . 90 N H . 51748 1 370 . 1 . 1 90 90 ASN HD21 H 1 7.685 0.001 . . . 5 . . . 90 N HD21 . 51748 1 371 . 1 . 1 90 90 ASN HD22 H 1 7.025 0.002 . . . 5 . . . 90 N HD22 . 51748 1 372 . 1 . 1 90 90 ASN C C 13 174.225 0.016 . . . 3 . . . 90 N C . 51748 1 373 . 1 . 1 90 90 ASN CA C 13 54.494 0.072 . . . 6 . . . 90 N CA . 51748 1 374 . 1 . 1 90 90 ASN CB C 13 37.139 0.022 . . . 5 . . . 90 N CB . 51748 1 375 . 1 . 1 90 90 ASN CG C 13 177.993 0.015 . . . 2 . . . 90 N CG . 51748 1 376 . 1 . 1 90 90 ASN N N 15 116.631 0.048 . . . 10 . . . 90 N N . 51748 1 377 . 1 . 1 90 90 ASN ND2 N 15 113.186 0.220 . . . 10 . . . 90 N ND2 . 51748 1 378 . 1 . 1 91 91 LEU H H 1 7.283 0.002 . . . 9 . . . 91 L H . 51748 1 379 . 1 . 1 91 91 LEU C C 13 177.228 0.006 . . . 2 . . . 91 L C . 51748 1 380 . 1 . 1 91 91 LEU CA C 13 55.739 0.083 . . . 3 . . . 91 L CA . 51748 1 381 . 1 . 1 91 91 LEU CB C 13 42.965 0.073 . . . 2 . . . 91 L CB . 51748 1 382 . 1 . 1 91 91 LEU N N 15 121.299 0.033 . . . 9 . . . 91 L N . 51748 1 383 . 1 . 1 92 92 ASN H H 1 8.978 0.007 . . . 8 . . . 92 N H . 51748 1 384 . 1 . 1 92 92 ASN C C 13 177.282 0.000 . . . 1 . . . 92 N C . 51748 1 385 . 1 . 1 92 92 ASN CA C 13 53.030 0.000 . . . 1 . . . 92 N CA . 51748 1 386 . 1 . 1 92 92 ASN CB C 13 38.239 0.000 . . . 1 . . . 92 N CB . 51748 1 387 . 1 . 1 92 92 ASN N N 15 126.542 0.038 . . . 8 . . . 92 N N . 51748 1 388 . 1 . 1 99 99 VAL C C 13 178.164 0.039 . . . 2 . . . 99 V C . 51748 1 389 . 1 . 1 99 99 VAL CA C 13 64.951 0.067 . . . 2 . . . 99 V CA . 51748 1 390 . 1 . 1 99 99 VAL CB C 13 32.246 0.000 . . . 1 . . . 99 V CB . 51748 1 391 . 1 . 1 100 100 LEU H H 1 8.735 0.002 . . . 9 . . . 100 L H . 51748 1 392 . 1 . 1 100 100 LEU C C 13 175.766 0.066 . . . 3 . . . 100 L C . 51748 1 393 . 1 . 1 100 100 LEU CA C 13 54.796 0.043 . . . 3 . . . 100 L CA . 51748 1 394 . 1 . 1 100 100 LEU CB C 13 32.614 0.060 . . . 3 . . . 100 L CB . 51748 1 395 . 1 . 1 100 100 LEU N N 15 116.629 0.033 . . . 9 . . . 100 L N . 51748 1 396 . 1 . 1 101 101 GLY H H 1 7.309 0.001 . . . 8 . . . 101 G H . 51748 1 397 . 1 . 1 101 101 GLY CA C 13 44.349 0.000 . . . 1 . . . 101 G CA . 51748 1 398 . 1 . 1 101 101 GLY N N 15 108.709 0.030 . . . 8 . . . 101 G N . 51748 1 399 . 1 . 1 106 106 THR C C 13 174.169 0.000 . . . 1 . . . 106 T C . 51748 1 400 . 1 . 1 106 106 THR CA C 13 61.960 0.000 . . . 1 . . . 106 T CA . 51748 1 401 . 1 . 1 106 106 THR CB C 13 69.775 0.000 . . . 1 . . . 106 T CB . 51748 1 402 . 1 . 1 107 107 VAL H H 1 8.381 0.001 . . . 7 . . . 107 V H . 51748 1 403 . 1 . 1 107 107 VAL C C 13 175.815 0.011 . . . 2 . . . 107 V C . 51748 1 404 . 1 . 1 107 107 VAL CA C 13 55.522 0.067 . . . 3 . . . 107 V CA . 51748 1 405 . 1 . 1 107 107 VAL CB C 13 33.103 0.019 . . . 2 . . . 107 V CB . 51748 1 406 . 1 . 1 107 107 VAL N N 15 123.316 0.063 . . . 7 . . . 107 V N . 51748 1 407 . 1 . 1 108 108 ARG H H 1 8.222 0.002 . . . 8 . . . 108 R H . 51748 1 408 . 1 . 1 108 108 ARG C C 13 175.973 0.024 . . . 2 . . . 108 R C . 51748 1 409 . 1 . 1 108 108 ARG CA C 13 62.384 0.069 . . . 2 . . . 108 R CA . 51748 1 410 . 1 . 1 108 108 ARG CB C 13 32.807 0.020 . . . 2 . . . 108 R CB . 51748 1 411 . 1 . 1 108 108 ARG N N 15 122.819 0.042 . . . 8 . . . 108 R N . 51748 1 412 . 1 . 1 109 109 LEU H H 1 8.325 0.002 . . . 7 . . . 109 L H . 51748 1 413 . 1 . 1 109 109 LEU C C 13 176.158 0.000 . . . 1 . . . 109 L C . 51748 1 414 . 1 . 1 109 109 LEU N N 15 124.844 0.051 . . . 7 . . . 109 L N . 51748 1 stop_ save_