################################### # 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 52758 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'WT APO NSH2 backbone' _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' . . . 52758 1 2 '3D HNCA' . . . 52758 1 3 '3D CBCA(CO)NH' . . . 52758 1 4 '3D HNCACB' . . . 52758 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 . . 52758 1 2 $software_2 . . 52758 1 3 $software_3 . . 52758 1 5 $software_5 . . 52758 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 1 1 MET H H 1 8.368 0.001 . . . . . . . 1 M H . 52758 1 2 . 1 . 1 1 1 MET CA C 13 55.851 0.034 . . . . . . . 1 M CA . 52758 1 3 . 1 . 1 1 1 MET CB C 13 32.658 0.061 . . . . . . . 1 M CB . 52758 1 4 . 1 . 1 1 1 MET N N 15 120.108 0.008 . . . . . . . 1 M N . 52758 1 5 . 1 . 1 2 2 THR H H 1 8.055 0.000 . . . . . . . 2 T H . 52758 1 6 . 1 . 1 2 2 THR CA C 13 62.180 0.003 . . . . . . . 2 T CA . 52758 1 7 . 1 . 1 2 2 THR CB C 13 69.555 0.020 . . . . . . . 2 T CB . 52758 1 8 . 1 . 1 2 2 THR N N 15 114.002 0.015 . . . . . . . 2 T N . 52758 1 9 . 1 . 1 3 3 SER H H 1 7.731 0.005 . . . . . . . 3 S H . 52758 1 10 . 1 . 1 3 3 SER CA C 13 58.096 0.017 . . . . . . . 3 S CA . 52758 1 11 . 1 . 1 3 3 SER CB C 13 63.803 0.048 . . . . . . . 3 S CB . 52758 1 12 . 1 . 1 3 3 SER N N 15 116.439 0.015 . . . . . . . 3 S N . 52758 1 13 . 1 . 1 4 4 ARG H H 1 8.164 0.002 . . . . . . . 4 R H . 52758 1 14 . 1 . 1 4 4 ARG CA C 13 55.096 0.011 . . . . . . . 4 R CA . 52758 1 15 . 1 . 1 4 4 ARG CB C 13 29.546 0.027 . . . . . . . 4 R CB . 52758 1 16 . 1 . 1 4 4 ARG N N 15 122.218 0.005 . . . . . . . 4 R N . 52758 1 17 . 1 . 1 5 5 ARG H H 1 8.339 0.002 . . . . . . . 5 R H . 52758 1 18 . 1 . 1 5 5 ARG CA C 13 57.906 0.012 . . . . . . . 5 R CA . 52758 1 19 . 1 . 1 5 5 ARG CB C 13 29.599 0.051 . . . . . . . 5 R CB . 52758 1 20 . 1 . 1 5 5 ARG N N 15 119.270 0.011 . . . . . . . 5 R N . 52758 1 21 . 1 . 1 6 6 TRP H H 1 6.350 0.007 . . . . . . . 6 W H . 52758 1 22 . 1 . 1 6 6 TRP CA C 13 54.670 0.012 . . . . . . . 6 W CA . 52758 1 23 . 1 . 1 6 6 TRP CB C 13 29.602 0.113 . . . . . . . 6 W CB . 52758 1 24 . 1 . 1 6 6 TRP N N 15 110.619 0.027 . . . . . . . 6 W N . 52758 1 25 . 1 . 1 7 7 PHE H H 1 7.658 0.003 . . . . . . . 7 F H . 52758 1 26 . 1 . 1 7 7 PHE CA C 13 57.057 0.002 . . . . . . . 7 F CA . 52758 1 27 . 1 . 1 7 7 PHE CB C 13 39.500 0.025 . . . . . . . 7 F CB . 52758 1 28 . 1 . 1 7 7 PHE N N 15 124.107 0.004 . . . . . . . 7 F N . 52758 1 29 . 1 . 1 8 8 HIS H H 1 8.610 0.005 . . . . . . . 8 H H . 52758 1 30 . 1 . 1 8 8 HIS CA C 13 57.054 0.000 . . . . . . . 8 H CA . 52758 1 31 . 1 . 1 8 8 HIS CB C 13 33.194 0.000 . . . . . . . 8 H CB . 52758 1 32 . 1 . 1 8 8 HIS N N 15 129.468 0.014 . . . . . . . 8 H N . 52758 1 33 . 1 . 1 9 9 PRO CA C 13 63.853 0.020 . . . . . . . 9 P CA . 52758 1 34 . 1 . 1 9 9 PRO CB C 13 32.840 0.021 . . . . . . . 9 P CB . 52758 1 35 . 1 . 1 10 10 ASN H H 1 8.578 0.001 . . . . . . . 10 N H . 52758 1 36 . 1 . 1 10 10 ASN CA C 13 53.260 0.007 . . . . . . . 10 N CA . 52758 1 37 . 1 . 1 10 10 ASN CB C 13 39.560 0.022 . . . . . . . 10 N CB . 52758 1 38 . 1 . 1 10 10 ASN N N 15 113.796 0.006 . . . . . . . 10 N N . 52758 1 39 . 1 . 1 11 11 ILE H H 1 6.751 0.006 . . . . . . . 11 I H . 52758 1 40 . 1 . 1 11 11 ILE CA C 13 60.429 0.084 . . . . . . . 11 I CA . 52758 1 41 . 1 . 1 11 11 ILE CB C 13 41.501 0.013 . . . . . . . 11 I CB . 52758 1 42 . 1 . 1 11 11 ILE N N 15 114.144 0.021 . . . . . . . 11 I N . 52758 1 43 . 1 . 1 12 12 THR H H 1 8.470 0.001 . . . . . . . 12 T H . 52758 1 44 . 1 . 1 12 12 THR CA C 13 60.289 0.028 . . . . . . . 12 T CA . 52758 1 45 . 1 . 1 12 12 THR CB C 13 71.654 0.017 . . . . . . . 12 T CB . 52758 1 46 . 1 . 1 12 12 THR N N 15 113.853 0.003 . . . . . . . 12 T N . 52758 1 47 . 1 . 1 13 13 GLY H H 1 8.957 0.001 . . . . . . . 13 G H . 52758 1 48 . 1 . 1 13 13 GLY CA C 13 47.283 0.045 . . . . . . . 13 G CA . 52758 1 49 . 1 . 1 13 13 GLY N N 15 109.391 0.002 . . . . . . . 13 G N . 52758 1 50 . 1 . 1 14 14 VAL H H 1 7.813 0.001 . . . . . . . 14 V H . 52758 1 51 . 1 . 1 14 14 VAL CA C 13 65.697 0.024 . . . . . . . 14 V CA . 52758 1 52 . 1 . 1 14 14 VAL CB C 13 31.924 0.012 . . . . . . . 14 V CB . 52758 1 53 . 1 . 1 14 14 VAL N N 15 120.378 0.010 . . . . . . . 14 V N . 52758 1 54 . 1 . 1 15 15 GLU H H 1 7.443 0.003 . . . . . . . 15 E H . 52758 1 55 . 1 . 1 15 15 GLU CA C 13 59.002 0.021 . . . . . . . 15 E CA . 52758 1 56 . 1 . 1 15 15 GLU CB C 13 30.212 0.021 . . . . . . . 15 E CB . 52758 1 57 . 1 . 1 15 15 GLU N N 15 120.932 0.007 . . . . . . . 15 E N . 52758 1 58 . 1 . 1 16 16 ALA H H 1 8.515 0.003 . . . . . . . 16 A H . 52758 1 59 . 1 . 1 16 16 ALA CA C 13 55.192 0.016 . . . . . . . 16 A CA . 52758 1 60 . 1 . 1 16 16 ALA CB C 13 18.787 0.009 . . . . . . . 16 A CB . 52758 1 61 . 1 . 1 16 16 ALA N N 15 121.594 0.003 . . . . . . . 16 A N . 52758 1 62 . 1 . 1 17 17 GLU H H 1 8.128 0.004 . . . . . . . 17 E H . 52758 1 63 . 1 . 1 17 17 GLU CA C 13 60.073 0.024 . . . . . . . 17 E CA . 52758 1 64 . 1 . 1 17 17 GLU CB C 13 28.695 0.025 . . . . . . . 17 E CB . 52758 1 65 . 1 . 1 17 17 GLU N N 15 116.787 0.002 . . . . . . . 17 E N . 52758 1 66 . 1 . 1 18 18 ASN H H 1 7.853 0.004 . . . . . . . 18 N H . 52758 1 67 . 1 . 1 18 18 ASN CA C 13 56.866 0.021 . . . . . . . 18 N CA . 52758 1 68 . 1 . 1 18 18 ASN CB C 13 38.613 0.025 . . . . . . . 18 N CB . 52758 1 69 . 1 . 1 18 18 ASN N N 15 116.094 0.015 . . . . . . . 18 N N . 52758 1 70 . 1 . 1 19 19 LEU H H 1 8.550 0.006 . . . . . . . 19 L H . 52758 1 71 . 1 . 1 19 19 LEU CA C 13 58.274 0.113 . . . . . . . 19 L CA . 52758 1 72 . 1 . 1 19 19 LEU CB C 13 42.601 0.047 . . . . . . . 19 L CB . 52758 1 73 . 1 . 1 19 19 LEU N N 15 122.240 0.003 . . . . . . . 19 L N . 52758 1 74 . 1 . 1 20 20 LEU H H 1 8.190 0.005 . . . . . . . 20 L H . 52758 1 75 . 1 . 1 20 20 LEU CA C 13 58.092 0.018 . . . . . . . 20 L CA . 52758 1 76 . 1 . 1 20 20 LEU CB C 13 42.540 0.020 . . . . . . . 20 L CB . 52758 1 77 . 1 . 1 20 20 LEU N N 15 118.508 0.004 . . . . . . . 20 L N . 52758 1 78 . 1 . 1 21 21 LEU H H 1 8.312 0.005 . . . . . . . 21 L H . 52758 1 79 . 1 . 1 21 21 LEU CA C 13 56.901 0.007 . . . . . . . 21 L CA . 52758 1 80 . 1 . 1 21 21 LEU CB C 13 41.438 0.028 . . . . . . . 21 L CB . 52758 1 81 . 1 . 1 21 21 LEU N N 15 117.107 0.014 . . . . . . . 21 L N . 52758 1 82 . 1 . 1 22 22 THR H H 1 7.771 0.005 . . . . . . . 22 T H . 52758 1 83 . 1 . 1 22 22 THR CA C 13 63.574 0.017 . . . . . . . 22 T CA . 52758 1 84 . 1 . 1 22 22 THR CB C 13 70.586 0.021 . . . . . . . 22 T CB . 52758 1 85 . 1 . 1 22 22 THR N N 15 109.080 0.006 . . . . . . . 22 T N . 52758 1 86 . 1 . 1 23 23 ARG H H 1 8.452 0.004 . . . . . . . 23 R H . 52758 1 87 . 1 . 1 23 23 ARG CA C 13 55.587 0.011 . . . . . . . 23 R CA . 52758 1 88 . 1 . 1 23 23 ARG CB C 13 31.828 0.017 . . . . . . . 23 R CB . 52758 1 89 . 1 . 1 23 23 ARG N N 15 119.128 0.007 . . . . . . . 23 R N . 52758 1 90 . 1 . 1 24 24 GLY H H 1 7.054 0.006 . . . . . . . 24 G H . 52758 1 91 . 1 . 1 24 24 GLY CA C 13 43.817 0.036 . . . . . . . 24 G CA . 52758 1 92 . 1 . 1 24 24 GLY N N 15 106.793 0.001 . . . . . . . 24 G N . 52758 1 93 . 1 . 1 25 25 VAL H H 1 8.933 0.001 . . . . . . . 25 V H . 52758 1 94 . 1 . 1 25 25 VAL CA C 13 59.041 0.011 . . . . . . . 25 V CA . 52758 1 95 . 1 . 1 25 25 VAL CB C 13 35.950 0.012 . . . . . . . 25 V CB . 52758 1 96 . 1 . 1 25 25 VAL N N 15 109.842 0.010 . . . . . . . 25 V N . 52758 1 97 . 1 . 1 26 26 ASP H H 1 8.935 0.001 . . . . . . . 26 D H . 52758 1 98 . 1 . 1 26 26 ASP CA C 13 57.775 0.002 . . . . . . . 26 D CA . 52758 1 99 . 1 . 1 26 26 ASP CB C 13 39.035 0.031 . . . . . . . 26 D CB . 52758 1 100 . 1 . 1 26 26 ASP N N 15 122.988 0.010 . . . . . . . 26 D N . 52758 1 101 . 1 . 1 27 27 GLY H H 1 8.746 0.007 . . . . . . . 27 G H . 52758 1 102 . 1 . 1 27 27 GLY CA C 13 44.835 0.039 . . . . . . . 27 G CA . 52758 1 103 . 1 . 1 27 27 GLY N N 15 113.072 0.002 . . . . . . . 27 G N . 52758 1 104 . 1 . 1 28 28 SER H H 1 9.347 0.003 . . . . . . . 28 S H . 52758 1 105 . 1 . 1 28 28 SER CA C 13 60.628 0.024 . . . . . . . 28 S CA . 52758 1 106 . 1 . 1 28 28 SER CB C 13 64.417 0.044 . . . . . . . 28 S CB . 52758 1 107 . 1 . 1 28 28 SER N N 15 122.423 0.002 . . . . . . . 28 S N . 52758 1 108 . 1 . 1 29 29 PHE H H 1 8.070 0.006 . . . . . . . 29 F H . 52758 1 109 . 1 . 1 29 29 PHE CA C 13 55.708 0.009 . . . . . . . 29 F CA . 52758 1 110 . 1 . 1 29 29 PHE CB C 13 44.495 0.030 . . . . . . . 29 F CB . 52758 1 111 . 1 . 1 29 29 PHE N N 15 116.507 0.012 . . . . . . . 29 F N . 52758 1 112 . 1 . 1 30 30 LEU H H 1 9.183 0.004 . . . . . . . 30 L H . 52758 1 113 . 1 . 1 30 30 LEU CA C 13 54.288 0.007 . . . . . . . 30 L CA . 52758 1 114 . 1 . 1 30 30 LEU CB C 13 44.877 0.036 . . . . . . . 30 L CB . 52758 1 115 . 1 . 1 30 30 LEU N N 15 114.796 0.008 . . . . . . . 30 L N . 52758 1 116 . 1 . 1 31 31 ALA H H 1 9.659 0.004 . . . . . . . 31 A H . 52758 1 117 . 1 . 1 31 31 ALA CA C 13 50.005 0.007 . . . . . . . 31 A CA . 52758 1 118 . 1 . 1 31 31 ALA CB C 13 23.938 0.010 . . . . . . . 31 A CB . 52758 1 119 . 1 . 1 31 31 ALA N N 15 121.824 0.014 . . . . . . . 31 A N . 52758 1 120 . 1 . 1 32 32 ARG H H 1 9.169 0.004 . . . . . . . 32 R H . 52758 1 121 . 1 . 1 32 32 ARG CA C 13 53.657 0.000 . . . . . . . 32 R CA . 52758 1 122 . 1 . 1 32 32 ARG CB C 13 30.021 0.000 . . . . . . . 32 R CB . 52758 1 123 . 1 . 1 32 32 ARG N N 15 116.319 0.013 . . . . . . . 32 R N . 52758 1 124 . 1 . 1 33 33 PRO CA C 13 62.840 0.007 . . . . . . . 33 P CA . 52758 1 125 . 1 . 1 33 33 PRO CB C 13 32.209 0.012 . . . . . . . 33 P CB . 52758 1 126 . 1 . 1 34 34 SER H H 1 7.889 0.006 . . . . . . . 34 S H . 52758 1 127 . 1 . 1 34 34 SER CA C 13 57.506 0.014 . . . . . . . 34 S CA . 52758 1 128 . 1 . 1 34 34 SER CB C 13 63.750 0.032 . . . . . . . 34 S CB . 52758 1 129 . 1 . 1 34 34 SER N N 15 115.036 0.019 . . . . . . . 34 S N . 52758 1 130 . 1 . 1 35 35 LYS H H 1 8.807 0.003 . . . . . . . 35 K H . 52758 1 131 . 1 . 1 35 35 LYS CA C 13 56.338 0.007 . . . . . . . 35 K CA . 52758 1 132 . 1 . 1 35 35 LYS CB C 13 31.870 0.015 . . . . . . . 35 K CB . 52758 1 133 . 1 . 1 35 35 LYS N N 15 126.524 0.020 . . . . . . . 35 K N . 52758 1 134 . 1 . 1 36 36 SER H H 1 8.009 0.005 . . . . . . . 36 S H . 52758 1 135 . 1 . 1 36 36 SER CA C 13 59.606 0.024 . . . . . . . 36 S CA . 52758 1 136 . 1 . 1 36 36 SER CB C 13 63.494 0.053 . . . . . . . 36 S CB . 52758 1 137 . 1 . 1 36 36 SER N N 15 113.948 0.005 . . . . . . . 36 S N . 52758 1 138 . 1 . 1 37 37 ASN H H 1 7.603 0.001 . . . . . . . 37 N H . 52758 1 139 . 1 . 1 37 37 ASN CA C 13 51.008 0.000 . . . . . . . 37 N CA . 52758 1 140 . 1 . 1 37 37 ASN CB C 13 39.783 0.000 . . . . . . . 37 N CB . 52758 1 141 . 1 . 1 37 37 ASN N N 15 120.207 0.010 . . . . . . . 37 N N . 52758 1 142 . 1 . 1 38 38 PRO CA C 13 64.379 0.006 . . . . . . . 38 P CA . 52758 1 143 . 1 . 1 38 38 PRO CB C 13 31.730 0.025 . . . . . . . 38 P CB . 52758 1 144 . 1 . 1 39 39 GLY H H 1 8.640 0.001 . . . . . . . 39 G H . 52758 1 145 . 1 . 1 39 39 GLY CA C 13 45.405 0.090 . . . . . . . 39 G CA . 52758 1 146 . 1 . 1 39 39 GLY N N 15 113.545 0.036 . . . . . . . 39 G N . 52758 1 147 . 1 . 1 40 40 ASP H H 1 7.766 0.001 . . . . . . . 40 D H . 52758 1 148 . 1 . 1 40 40 ASP CA C 13 53.662 0.002 . . . . . . . 40 D CA . 52758 1 149 . 1 . 1 40 40 ASP CB C 13 42.119 0.019 . . . . . . . 40 D CB . 52758 1 150 . 1 . 1 40 40 ASP N N 15 118.821 0.007 . . . . . . . 40 D N . 52758 1 151 . 1 . 1 41 41 PHE H H 1 9.018 0.004 . . . . . . . 41 F H . 52758 1 152 . 1 . 1 41 41 PHE CA C 13 57.100 0.003 . . . . . . . 41 F CA . 52758 1 153 . 1 . 1 41 41 PHE CB C 13 44.818 0.018 . . . . . . . 41 F CB . 52758 1 154 . 1 . 1 41 41 PHE N N 15 116.866 0.031 . . . . . . . 41 F N . 52758 1 155 . 1 . 1 42 42 ALA H H 1 9.633 0.003 . . . . . . . 42 A H . 52758 1 156 . 1 . 1 42 42 ALA CA C 13 51.584 0.008 . . . . . . . 42 A CA . 52758 1 157 . 1 . 1 42 42 ALA CB C 13 21.326 0.016 . . . . . . . 42 A CB . 52758 1 158 . 1 . 1 42 42 ALA N N 15 123.299 0.015 . . . . . . . 42 A N . 52758 1 159 . 1 . 1 43 43 LEU H H 1 9.290 0.003 . . . . . . . 43 L H . 52758 1 160 . 1 . 1 43 43 LEU CA C 13 53.291 0.003 . . . . . . . 43 L CA . 52758 1 161 . 1 . 1 43 43 LEU CB C 13 45.281 0.009 . . . . . . . 43 L CB . 52758 1 162 . 1 . 1 43 43 LEU N N 15 121.256 0.012 . . . . . . . 43 L N . 52758 1 163 . 1 . 1 44 44 SER H H 1 9.210 0.004 . . . . . . . 44 S H . 52758 1 164 . 1 . 1 44 44 SER CA C 13 58.855 0.024 . . . . . . . 44 S CA . 52758 1 165 . 1 . 1 44 44 SER CB C 13 65.366 0.040 . . . . . . . 44 S CB . 52758 1 166 . 1 . 1 44 44 SER N N 15 121.294 0.019 . . . . . . . 44 S N . 52758 1 167 . 1 . 1 45 45 VAL H H 1 8.980 0.004 . . . . . . . 45 V H . 52758 1 168 . 1 . 1 45 45 VAL CA C 13 60.025 0.017 . . . . . . . 45 V CA . 52758 1 169 . 1 . 1 45 45 VAL CB C 13 35.742 0.005 . . . . . . . 45 V CB . 52758 1 170 . 1 . 1 45 45 VAL N N 15 123.577 0.006 . . . . . . . 45 V N . 52758 1 171 . 1 . 1 46 46 ARG H H 1 9.121 0.002 . . . . . . . 46 R H . 52758 1 172 . 1 . 1 46 46 ARG CA C 13 54.544 0.014 . . . . . . . 46 R CA . 52758 1 173 . 1 . 1 46 46 ARG CB C 13 31.943 0.015 . . . . . . . 46 R CB . 52758 1 174 . 1 . 1 46 46 ARG N N 15 127.254 0.010 . . . . . . . 46 R N . 52758 1 175 . 1 . 1 47 47 ARG H H 1 9.447 0.002 . . . . . . . 47 R H . 52758 1 176 . 1 . 1 47 47 ARG CA C 13 55.558 0.004 . . . . . . . 47 R CA . 52758 1 177 . 1 . 1 47 47 ARG CB C 13 32.268 0.051 . . . . . . . 47 R CB . 52758 1 178 . 1 . 1 47 47 ARG N N 15 130.880 0.010 . . . . . . . 47 R N . 52758 1 179 . 1 . 1 48 48 ASN H H 1 9.297 0.001 . . . . . . . 48 N H . 52758 1 180 . 1 . 1 48 48 ASN CA C 13 54.389 0.009 . . . . . . . 48 N CA . 52758 1 181 . 1 . 1 48 48 ASN CB C 13 37.446 0.021 . . . . . . . 48 N CB . 52758 1 182 . 1 . 1 48 48 ASN N N 15 125.343 0.004 . . . . . . . 48 N N . 52758 1 183 . 1 . 1 49 49 GLY H H 1 9.559 0.001 . . . . . . . 49 G H . 52758 1 184 . 1 . 1 49 49 GLY CA C 13 46.008 0.039 . . . . . . . 49 G CA . 52758 1 185 . 1 . 1 49 49 GLY N N 15 105.955 0.008 . . . . . . . 49 G N . 52758 1 186 . 1 . 1 50 50 ALA H H 1 7.967 0.004 . . . . . . . 50 A H . 52758 1 187 . 1 . 1 50 50 ALA CA C 13 50.395 0.013 . . . . . . . 50 A CA . 52758 1 188 . 1 . 1 50 50 ALA CB C 13 22.206 0.010 . . . . . . . 50 A CB . 52758 1 189 . 1 . 1 50 50 ALA N N 15 122.651 0.004 . . . . . . . 50 A N . 52758 1 190 . 1 . 1 51 51 VAL H H 1 8.681 0.000 . . . . . . . 51 V H . 52758 1 191 . 1 . 1 51 51 VAL CA C 13 61.139 0.008 . . . . . . . 51 V CA . 52758 1 192 . 1 . 1 51 51 VAL CB C 13 34.034 0.008 . . . . . . . 51 V CB . 52758 1 193 . 1 . 1 51 51 VAL N N 15 119.856 0.002 . . . . . . . 51 V N . 52758 1 194 . 1 . 1 52 52 THR H H 1 8.871 0.004 . . . . . . . 52 T H . 52758 1 195 . 1 . 1 52 52 THR CA C 13 60.170 0.019 . . . . . . . 52 T CA . 52758 1 196 . 1 . 1 52 52 THR CB C 13 71.296 0.014 . . . . . . . 52 T CB . 52758 1 197 . 1 . 1 52 52 THR N N 15 124.370 0.003 . . . . . . . 52 T N . 52758 1 198 . 1 . 1 53 53 HIS H H 1 8.496 0.001 . . . . . . . 53 H H . 52758 1 199 . 1 . 1 53 53 HIS CA C 13 54.386 0.014 . . . . . . . 53 H CA . 52758 1 200 . 1 . 1 53 53 HIS CB C 13 32.699 0.021 . . . . . . . 53 H CB . 52758 1 201 . 1 . 1 53 53 HIS N N 15 124.867 0.008 . . . . . . . 53 H N . 52758 1 202 . 1 . 1 54 54 ILE H H 1 9.741 0.002 . . . . . . . 54 I H . 52758 1 203 . 1 . 1 54 54 ILE CA C 13 60.109 0.017 . . . . . . . 54 I CA . 52758 1 204 . 1 . 1 54 54 ILE CB C 13 40.958 0.012 . . . . . . . 54 I CB . 52758 1 205 . 1 . 1 54 54 ILE N N 15 126.538 0.002 . . . . . . . 54 I N . 52758 1 206 . 1 . 1 55 55 LYS H H 1 8.610 0.001 . . . . . . . 55 K H . 52758 1 207 . 1 . 1 55 55 LYS CA C 13 58.126 0.001 . . . . . . . 55 K CA . 52758 1 208 . 1 . 1 55 55 LYS CB C 13 33.470 0.015 . . . . . . . 55 K CB . 52758 1 209 . 1 . 1 55 55 LYS N N 15 127.358 0.018 . . . . . . . 55 K N . 52758 1 210 . 1 . 1 56 56 ILE H H 1 8.448 0.006 . . . . . . . 56 I H . 52758 1 211 . 1 . 1 56 56 ILE CA C 13 60.075 0.017 . . . . . . . 56 I CA . 52758 1 212 . 1 . 1 56 56 ILE CB C 13 40.382 0.019 . . . . . . . 56 I CB . 52758 1 213 . 1 . 1 56 56 ILE N N 15 122.807 0.039 . . . . . . . 56 I N . 52758 1 214 . 1 . 1 57 57 GLN H H 1 8.785 0.006 . . . . . . . 57 Q H . 52758 1 215 . 1 . 1 57 57 GLN CA C 13 55.319 0.001 . . . . . . . 57 Q CA . 52758 1 216 . 1 . 1 57 57 GLN CB C 13 29.351 0.031 . . . . . . . 57 Q CB . 52758 1 217 . 1 . 1 57 57 GLN N N 15 128.366 0.009 . . . . . . . 57 Q N . 52758 1 218 . 1 . 1 58 58 ASN H H 1 8.585 0.010 . . . . . . . 58 N H . 52758 1 219 . 1 . 1 58 58 ASN CA C 13 51.114 0.008 . . . . . . . 58 N CA . 52758 1 220 . 1 . 1 58 58 ASN CB C 13 40.082 0.000 . . . . . . . 58 N CB . 52758 1 221 . 1 . 1 58 58 ASN N N 15 122.859 0.014 . . . . . . . 58 N N . 52758 1 222 . 1 . 1 59 59 THR H H 1 8.295 0.010 . . . . . . . 59 T H . 52758 1 223 . 1 . 1 59 59 THR CA C 13 61.243 0.018 . . . . . . . 59 T CA . 52758 1 224 . 1 . 1 59 59 THR CB C 13 69.727 0.013 . . . . . . . 59 T CB . 52758 1 225 . 1 . 1 59 59 THR N N 15 116.942 0.074 . . . . . . . 59 T N . 52758 1 226 . 1 . 1 60 60 GLY H H 1 8.220 0.008 . . . . . . . 60 G H . 52758 1 227 . 1 . 1 60 60 GLY CA C 13 46.034 0.004 . . . . . . . 60 G CA . 52758 1 228 . 1 . 1 60 60 GLY N N 15 113.847 0.019 . . . . . . . 60 G N . 52758 1 229 . 1 . 1 61 61 ASP H H 1 7.741 0.003 . . . . . . . 61 D H . 52758 1 230 . 1 . 1 61 61 ASP CA C 13 54.667 0.009 . . . . . . . 61 D CA . 52758 1 231 . 1 . 1 61 61 ASP CB C 13 42.221 0.023 . . . . . . . 61 D CB . 52758 1 232 . 1 . 1 61 61 ASP N N 15 118.560 0.010 . . . . . . . 61 D N . 52758 1 233 . 1 . 1 62 62 TYR H H 1 7.232 0.004 . . . . . . . 62 Y H . 52758 1 234 . 1 . 1 62 62 TYR CA C 13 56.606 0.070 . . . . . . . 62 Y CA . 52758 1 235 . 1 . 1 62 62 TYR CB C 13 40.830 0.028 . . . . . . . 62 Y CB . 52758 1 236 . 1 . 1 62 62 TYR N N 15 114.366 0.003 . . . . . . . 62 Y N . 52758 1 237 . 1 . 1 63 63 TYR H H 1 9.594 0.002 . . . . . . . 63 Y H . 52758 1 238 . 1 . 1 63 63 TYR CA C 13 56.471 0.028 . . . . . . . 63 Y CA . 52758 1 239 . 1 . 1 63 63 TYR CB C 13 41.730 0.011 . . . . . . . 63 Y CB . 52758 1 240 . 1 . 1 63 63 TYR N N 15 118.442 0.021 . . . . . . . 63 Y N . 52758 1 241 . 1 . 1 64 64 ASP H H 1 9.094 0.004 . . . . . . . 64 D H . 52758 1 242 . 1 . 1 64 64 ASP CA C 13 53.551 0.008 . . . . . . . 64 D CA . 52758 1 243 . 1 . 1 64 64 ASP CB C 13 43.730 0.033 . . . . . . . 64 D CB . 52758 1 244 . 1 . 1 64 64 ASP N N 15 120.577 0.004 . . . . . . . 64 D N . 52758 1 245 . 1 . 1 65 65 LEU H H 1 8.106 0.013 . . . . . . . 65 L H . 52758 1 246 . 1 . 1 65 65 LEU CA C 13 53.584 0.022 . . . . . . . 65 L CA . 52758 1 247 . 1 . 1 65 65 LEU CB C 13 41.088 0.046 . . . . . . . 65 L CB . 52758 1 248 . 1 . 1 65 65 LEU N N 15 118.805 0.047 . . . . . . . 65 L N . 52758 1 249 . 1 . 1 66 66 TYR H H 1 8.628 0.009 . . . . . . . 66 Y H . 52758 1 250 . 1 . 1 66 66 TYR CA C 13 60.228 0.014 . . . . . . . 66 Y CA . 52758 1 251 . 1 . 1 66 66 TYR CB C 13 35.456 0.048 . . . . . . . 66 Y CB . 52758 1 252 . 1 . 1 66 66 TYR N N 15 118.947 0.015 . . . . . . . 66 Y N . 52758 1 253 . 1 . 1 67 67 GLY H H 1 7.633 0.014 . . . . . . . 67 G H . 52758 1 254 . 1 . 1 67 67 GLY CA C 13 44.656 0.050 . . . . . . . 67 G CA . 52758 1 255 . 1 . 1 67 67 GLY N N 15 107.603 0.043 . . . . . . . 67 G N . 52758 1 256 . 1 . 1 68 68 GLY H H 1 8.391 0.002 . . . . . . . 68 G H . 52758 1 257 . 1 . 1 68 68 GLY CA C 13 44.809 0.054 . . . . . . . 68 G CA . 52758 1 258 . 1 . 1 68 68 GLY N N 15 107.878 0.035 . . . . . . . 68 G N . 52758 1 259 . 1 . 1 69 69 GLU H H 1 8.228 0.001 . . . . . . . 69 E H . 52758 1 260 . 1 . 1 69 69 GLU CA C 13 56.824 0.022 . . . . . . . 69 E CA . 52758 1 261 . 1 . 1 69 69 GLU CB C 13 30.011 0.019 . . . . . . . 69 E CB . 52758 1 262 . 1 . 1 69 69 GLU N N 15 122.202 0.006 . . . . . . . 69 E N . 52758 1 263 . 1 . 1 70 70 LYS H H 1 7.719 0.003 . . . . . . . 70 K H . 52758 1 264 . 1 . 1 70 70 LYS CA C 13 54.922 0.026 . . . . . . . 70 K CA . 52758 1 265 . 1 . 1 70 70 LYS CB C 13 34.721 0.004 . . . . . . . 70 K CB . 52758 1 266 . 1 . 1 70 70 LYS N N 15 118.403 0.009 . . . . . . . 70 K N . 52758 1 267 . 1 . 1 71 71 PHE H H 1 9.105 0.001 . . . . . . . 71 F H . 52758 1 268 . 1 . 1 71 71 PHE CA C 13 57.180 0.014 . . . . . . . 71 F CA . 52758 1 269 . 1 . 1 71 71 PHE CB C 13 43.955 0.010 . . . . . . . 71 F CB . 52758 1 270 . 1 . 1 71 71 PHE N N 15 118.179 0.012 . . . . . . . 71 F N . 52758 1 271 . 1 . 1 72 72 ALA H H 1 9.428 0.005 . . . . . . . 72 A H . 52758 1 272 . 1 . 1 72 72 ALA CA C 13 54.491 0.017 . . . . . . . 72 A CA . 52758 1 273 . 1 . 1 72 72 ALA CB C 13 19.899 0.020 . . . . . . . 72 A CB . 52758 1 274 . 1 . 1 72 72 ALA N N 15 123.529 0.023 . . . . . . . 72 A N . 52758 1 275 . 1 . 1 73 73 THR H H 1 7.155 0.007 . . . . . . . 73 T H . 52758 1 276 . 1 . 1 73 73 THR CA C 13 58.732 0.023 . . . . . . . 73 T CA . 52758 1 277 . 1 . 1 73 73 THR CB C 13 73.656 0.025 . . . . . . . 73 T CB . 52758 1 278 . 1 . 1 73 73 THR N N 15 101.237 0.007 . . . . . . . 73 T N . 52758 1 279 . 1 . 1 74 74 LEU H H 1 7.918 0.006 . . . . . . . 74 L H . 52758 1 280 . 1 . 1 74 74 LEU CA C 13 56.956 0.019 . . . . . . . 74 L CA . 52758 1 281 . 1 . 1 74 74 LEU CB C 13 40.985 0.023 . . . . . . . 74 L CB . 52758 1 282 . 1 . 1 74 74 LEU N N 15 122.054 0.009 . . . . . . . 74 L N . 52758 1 283 . 1 . 1 75 75 ALA H H 1 8.357 0.002 . . . . . . . 75 A H . 52758 1 284 . 1 . 1 75 75 ALA CA C 13 55.495 0.020 . . . . . . . 75 A CA . 52758 1 285 . 1 . 1 75 75 ALA CB C 13 17.950 0.021 . . . . . . . 75 A CB . 52758 1 286 . 1 . 1 75 75 ALA N N 15 118.771 0.010 . . . . . . . 75 A N . 52758 1 287 . 1 . 1 76 76 GLU H H 1 7.811 0.005 . . . . . . . 76 E H . 52758 1 288 . 1 . 1 76 76 GLU CA C 13 59.381 0.049 . . . . . . . 76 E CA . 52758 1 289 . 1 . 1 76 76 GLU CB C 13 30.922 0.012 . . . . . . . 76 E CB . 52758 1 290 . 1 . 1 76 76 GLU N N 15 117.270 0.018 . . . . . . . 76 E N . 52758 1 291 . 1 . 1 77 77 LEU H H 1 6.942 0.005 . . . . . . . 77 L H . 52758 1 292 . 1 . 1 77 77 LEU CA C 13 58.668 0.014 . . . . . . . 77 L CA . 52758 1 293 . 1 . 1 77 77 LEU CB C 13 41.833 0.028 . . . . . . . 77 L CB . 52758 1 294 . 1 . 1 77 77 LEU N N 15 122.541 0.003 . . . . . . . 77 L N . 52758 1 295 . 1 . 1 78 78 VAL H H 1 7.923 0.004 . . . . . . . 78 V H . 52758 1 296 . 1 . 1 78 78 VAL CA C 13 67.410 0.025 . . . . . . . 78 V CA . 52758 1 297 . 1 . 1 78 78 VAL CB C 13 31.559 0.011 . . . . . . . 78 V CB . 52758 1 298 . 1 . 1 78 78 VAL N N 15 118.748 0.007 . . . . . . . 78 V N . 52758 1 299 . 1 . 1 79 79 GLN H H 1 8.034 0.004 . . . . . . . 79 Q H . 52758 1 300 . 1 . 1 79 79 GLN CA C 13 59.073 0.022 . . . . . . . 79 Q CA . 52758 1 301 . 1 . 1 79 79 GLN CB C 13 28.043 0.024 . . . . . . . 79 Q CB . 52758 1 302 . 1 . 1 79 79 GLN N N 15 117.380 0.013 . . . . . . . 79 Q N . 52758 1 303 . 1 . 1 80 80 TYR H H 1 7.851 0.006 . . . . . . . 80 Y H . 52758 1 304 . 1 . 1 80 80 TYR CA C 13 62.215 0.006 . . . . . . . 80 Y CA . 52758 1 305 . 1 . 1 80 80 TYR CB C 13 38.829 0.021 . . . . . . . 80 Y CB . 52758 1 306 . 1 . 1 80 80 TYR N N 15 118.378 0.016 . . . . . . . 80 Y N . 52758 1 307 . 1 . 1 81 81 TYR H H 1 7.719 0.002 . . . . . . . 81 Y H . 52758 1 308 . 1 . 1 81 81 TYR CA C 13 62.705 0.013 . . . . . . . 81 Y CA . 52758 1 309 . 1 . 1 81 81 TYR CB C 13 37.960 0.023 . . . . . . . 81 Y CB . 52758 1 310 . 1 . 1 81 81 TYR N N 15 117.372 0.002 . . . . . . . 81 Y N . 52758 1 311 . 1 . 1 82 82 MET H H 1 8.318 0.007 . . . . . . . 82 M H . 52758 1 312 . 1 . 1 82 82 MET CA C 13 59.432 0.022 . . . . . . . 82 M CA . 52758 1 313 . 1 . 1 82 82 MET CB C 13 33.937 0.004 . . . . . . . 82 M CB . 52758 1 314 . 1 . 1 82 82 MET N N 15 120.193 0.015 . . . . . . . 82 M N . 52758 1 315 . 1 . 1 83 83 GLU H H 1 7.442 0.005 . . . . . . . 83 E H . 52758 1 316 . 1 . 1 83 83 GLU CA C 13 56.769 0.015 . . . . . . . 83 E CA . 52758 1 317 . 1 . 1 83 83 GLU CB C 13 30.493 0.017 . . . . . . . 83 E CB . 52758 1 318 . 1 . 1 83 83 GLU N N 15 114.644 0.016 . . . . . . . 83 E N . 52758 1 319 . 1 . 1 84 84 HIS H H 1 7.451 0.000 . . . . . . . 84 H H . 52758 1 320 . 1 . 1 84 84 HIS CA C 13 54.791 0.000 . . . . . . . 84 H CA . 52758 1 321 . 1 . 1 84 84 HIS CB C 13 26.652 0.000 . . . . . . . 84 H CB . 52758 1 322 . 1 . 1 84 84 HIS N N 15 117.798 0.003 . . . . . . . 84 H N . 52758 1 323 . 1 . 1 85 85 HIS H H 1 8.129 0.005 . . . . . . . 85 H H . 52758 1 324 . 1 . 1 85 85 HIS CA C 13 57.342 0.000 . . . . . . . 85 H CA . 52758 1 325 . 1 . 1 85 85 HIS CB C 13 29.777 0.000 . . . . . . . 85 H CB . 52758 1 326 . 1 . 1 85 85 HIS N N 15 121.368 0.024 . . . . . . . 85 H N . 52758 1 327 . 1 . 1 86 86 GLY CA C 13 45.452 0.026 . . . . . . . 86 G CA . 52758 1 328 . 1 . 1 87 87 GLN H H 1 7.959 0.008 . . . . . . . 87 Q H . 52758 1 329 . 1 . 1 87 87 GLN CA C 13 56.280 0.014 . . . . . . . 87 Q CA . 52758 1 330 . 1 . 1 87 87 GLN CB C 13 29.680 0.016 . . . . . . . 87 Q CB . 52758 1 331 . 1 . 1 87 87 GLN N N 15 116.018 0.028 . . . . . . . 87 Q N . 52758 1 332 . 1 . 1 88 88 LEU H H 1 8.494 0.003 . . . . . . . 88 L H . 52758 1 333 . 1 . 1 88 88 LEU CA C 13 54.573 0.080 . . . . . . . 88 L CA . 52758 1 334 . 1 . 1 88 88 LEU CB C 13 41.508 0.040 . . . . . . . 88 L CB . 52758 1 335 . 1 . 1 88 88 LEU N N 15 124.295 0.018 . . . . . . . 88 L N . 52758 1 336 . 1 . 1 89 89 LYS H H 1 8.076 0.001 . . . . . . . 89 K H . 52758 1 337 . 1 . 1 89 89 LYS CA C 13 54.410 0.027 . . . . . . . 89 K CA . 52758 1 338 . 1 . 1 89 89 LYS CB C 13 36.910 0.008 . . . . . . . 89 K CB . 52758 1 339 . 1 . 1 89 89 LYS N N 15 123.659 0.003 . . . . . . . 89 K N . 52758 1 340 . 1 . 1 90 90 GLU H H 1 8.763 0.002 . . . . . . . 90 E H . 52758 1 341 . 1 . 1 90 90 GLU CA C 13 55.415 0.016 . . . . . . . 90 E CA . 52758 1 342 . 1 . 1 90 90 GLU CB C 13 31.407 0.017 . . . . . . . 90 E CB . 52758 1 343 . 1 . 1 90 90 GLU N N 15 120.101 0.020 . . . . . . . 90 E N . 52758 1 344 . 1 . 1 91 91 LYS H H 1 9.044 0.001 . . . . . . . 91 K H . 52758 1 345 . 1 . 1 91 91 LYS CA C 13 59.254 0.013 . . . . . . . 91 K CA . 52758 1 346 . 1 . 1 91 91 LYS CB C 13 31.907 0.055 . . . . . . . 91 K CB . 52758 1 347 . 1 . 1 91 91 LYS N N 15 123.036 0.010 . . . . . . . 91 K N . 52758 1 348 . 1 . 1 92 92 ASN H H 1 7.984 0.004 . . . . . . . 92 N H . 52758 1 349 . 1 . 1 92 92 ASN CA C 13 52.899 0.008 . . . . . . . 92 N CA . 52758 1 350 . 1 . 1 92 92 ASN CB C 13 37.564 0.030 . . . . . . . 92 N CB . 52758 1 351 . 1 . 1 92 92 ASN N N 15 114.969 0.012 . . . . . . . 92 N N . 52758 1 352 . 1 . 1 93 93 GLY H H 1 8.112 0.004 . . . . . . . 93 G H . 52758 1 353 . 1 . 1 93 93 GLY CA C 13 44.919 0.043 . . . . . . . 93 G CA . 52758 1 354 . 1 . 1 93 93 GLY N N 15 108.645 0.003 . . . . . . . 93 G N . 52758 1 355 . 1 . 1 94 94 ASP H H 1 8.056 0.002 . . . . . . . 94 D H . 52758 1 356 . 1 . 1 94 94 ASP CA C 13 54.878 0.008 . . . . . . . 94 D CA . 52758 1 357 . 1 . 1 94 94 ASP CB C 13 40.485 0.032 . . . . . . . 94 D CB . 52758 1 358 . 1 . 1 94 94 ASP N N 15 121.948 0.003 . . . . . . . 94 D N . 52758 1 359 . 1 . 1 95 95 VAL H H 1 8.334 0.000 . . . . . . . 95 V H . 52758 1 360 . 1 . 1 95 95 VAL CA C 13 63.124 0.013 . . . . . . . 95 V CA . 52758 1 361 . 1 . 1 95 95 VAL CB C 13 32.855 0.003 . . . . . . . 95 V CB . 52758 1 362 . 1 . 1 95 95 VAL N N 15 121.764 0.010 . . . . . . . 95 V N . 52758 1 363 . 1 . 1 96 96 ILE H H 1 8.495 0.002 . . . . . . . 96 I H . 52758 1 364 . 1 . 1 96 96 ILE CA C 13 59.751 0.024 . . . . . . . 96 I CA . 52758 1 365 . 1 . 1 96 96 ILE CB C 13 39.015 0.010 . . . . . . . 96 I CB . 52758 1 366 . 1 . 1 96 96 ILE N N 15 127.585 0.010 . . . . . . . 96 I N . 52758 1 367 . 1 . 1 97 97 GLU H H 1 8.202 0.000 . . . . . . . 97 E H . 52758 1 368 . 1 . 1 97 97 GLU CA C 13 55.047 0.017 . . . . . . . 97 E CA . 52758 1 369 . 1 . 1 97 97 GLU CB C 13 31.771 0.018 . . . . . . . 97 E CB . 52758 1 370 . 1 . 1 97 97 GLU N N 15 124.380 0.012 . . . . . . . 97 E N . 52758 1 371 . 1 . 1 98 98 LEU H H 1 8.594 0.000 . . . . . . . 98 L H . 52758 1 372 . 1 . 1 98 98 LEU CA C 13 52.996 0.014 . . . . . . . 98 L CA . 52758 1 373 . 1 . 1 98 98 LEU CB C 13 39.832 0.028 . . . . . . . 98 L CB . 52758 1 374 . 1 . 1 98 98 LEU N N 15 124.731 0.013 . . . . . . . 98 L N . 52758 1 375 . 1 . 1 99 99 LYS H H 1 8.085 0.007 . . . . . . . 99 K H . 52758 1 376 . 1 . 1 99 99 LYS CA C 13 58.498 0.009 . . . . . . . 99 K CA . 52758 1 377 . 1 . 1 99 99 LYS CB C 13 34.734 0.025 . . . . . . . 99 K CB . 52758 1 378 . 1 . 1 99 99 LYS N N 15 120.789 0.005 . . . . . . . 99 K N . 52758 1 379 . 1 . 1 100 100 TYR H H 1 7.812 0.004 . . . . . . . 100 Y H . 52758 1 380 . 1 . 1 100 100 TYR CA C 13 52.731 0.000 . . . . . . . 100 Y CA . 52758 1 381 . 1 . 1 100 100 TYR CB C 13 40.615 0.000 . . . . . . . 100 Y CB . 52758 1 382 . 1 . 1 100 100 TYR N N 15 116.533 0.003 . . . . . . . 100 Y N . 52758 1 383 . 1 . 1 101 101 PRO CA C 13 62.647 0.010 . . . . . . . 101 P CA . 52758 1 384 . 1 . 1 101 101 PRO CB C 13 32.100 0.015 . . . . . . . 101 P CB . 52758 1 385 . 1 . 1 102 102 LEU H H 1 8.727 0.004 . . . . . . . 102 L H . 52758 1 386 . 1 . 1 102 102 LEU CA C 13 54.395 0.010 . . . . . . . 102 L CA . 52758 1 387 . 1 . 1 102 102 LEU CB C 13 41.734 0.023 . . . . . . . 102 L CB . 52758 1 388 . 1 . 1 102 102 LEU N N 15 128.620 0.003 . . . . . . . 102 L N . 52758 1 389 . 1 . 1 103 103 ASN H H 1 8.544 0.000 . . . . . . . 103 N H . 52758 1 390 . 1 . 1 103 103 ASN CA C 13 53.376 0.006 . . . . . . . 103 N CA . 52758 1 391 . 1 . 1 103 103 ASN CB C 13 39.125 0.021 . . . . . . . 103 N CB . 52758 1 392 . 1 . 1 103 103 ASN N N 15 125.634 0.004 . . . . . . . 103 N N . 52758 1 393 . 1 . 1 104 104 CYS H H 1 8.636 0.002 . . . . . . . 104 C H . 52758 1 394 . 1 . 1 104 104 CYS CA C 13 59.068 0.004 . . . . . . . 104 C CA . 52758 1 395 . 1 . 1 104 104 CYS CB C 13 27.242 0.027 . . . . . . . 104 C CB . 52758 1 396 . 1 . 1 104 104 CYS N N 15 121.894 0.006 . . . . . . . 104 C N . 52758 1 397 . 1 . 1 105 105 ALA H H 1 8.574 0.003 . . . . . . . 105 A H . 52758 1 398 . 1 . 1 105 105 ALA CA C 13 52.387 0.005 . . . . . . . 105 A CA . 52758 1 399 . 1 . 1 105 105 ALA CB C 13 19.674 0.002 . . . . . . . 105 A CB . 52758 1 400 . 1 . 1 105 105 ALA N N 15 129.641 0.026 . . . . . . . 105 A N . 52758 1 stop_ save_