################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 26973 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $DMSO_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 26973 1 2 '3D HNCACB' . . . 26973 1 3 '3D CBCA(CO)NH' . . . 26973 1 4 '3D HNCO' . . . 26973 1 5 '3D HN(CA)CO' . . . 26973 1 6 '3D HNN' . . . 26973 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 GLY C C 13 166.267 0.002 . 1 . . . . . 1 G C . 26973 1 2 . 1 1 1 1 GLY CA C 13 40.563 0.071 . 1 . . . . . 1 G CA . 26973 1 3 . 1 1 2 2 ASP H H 1 8.673 0.003 . 1 . . . . . 2 D H . 26973 1 4 . 1 1 2 2 ASP C C 13 170.748 0.007 . 1 . . . . . 2 D C . 26973 1 5 . 1 1 2 2 ASP CA C 13 50.051 0.103 . 1 . . . . . 2 D CA . 26973 1 6 . 1 1 2 2 ASP CB C 13 36.874 0.076 . 1 . . . . . 2 D CB . 26973 1 7 . 1 1 2 2 ASP N N 15 118.712 0.023 . 1 . . . . . 2 D N . 26973 1 8 . 1 1 3 3 VAL H H 1 7.937 0.004 . 1 . . . . . 3 V H . 26973 1 9 . 1 1 3 3 VAL C C 13 171.294 0.023 . 1 . . . . . 3 V C . 26973 1 10 . 1 1 3 3 VAL CA C 13 58.419 0.091 . 1 . . . . . 3 V CA . 26973 1 11 . 1 1 3 3 VAL CB C 13 30.703 0.004 . 1 . . . . . 3 V CB . 26973 1 12 . 1 1 3 3 VAL N N 15 114.994 0.027 . 1 . . . . . 3 V N . 26973 1 13 . 1 1 4 4 GLU H H 1 7.984 0.005 . 1 . . . . . 4 E H . 26973 1 14 . 1 1 4 4 GLU C C 13 171.491 0.000 . 1 . . . . . 4 E C . 26973 1 15 . 1 1 4 4 GLU CA C 13 52.566 0.075 . 1 . . . . . 4 E CA . 26973 1 16 . 1 1 4 4 GLU CB C 13 27.746 0.170 . 1 . . . . . 4 E CB . 26973 1 17 . 1 1 4 4 GLU N N 15 119.746 0.022 . 1 . . . . . 4 E N . 26973 1 18 . 1 1 5 5 LYS H H 1 7.858 0.003 . 1 . . . . . 5 K H . 26973 1 19 . 1 1 5 5 LYS C C 13 176.1 0.000 . 1 . . . . . 5 K C . 26973 1 20 . 1 1 5 5 LYS CA C 13 52.363 0.168 . 1 . . . . . 5 K CA . 26973 1 21 . 1 1 5 5 LYS CB C 13 31.444 0.025 . 1 . . . . . 5 K CB . 26973 1 22 . 1 1 5 5 LYS N N 15 117.214 0.075 . 1 . . . . . 5 K N . 26973 1 23 . 1 1 6 6 GLY H H 1 8.692 0.003 . 1 . . . . . 6 G H . 26973 1 24 . 1 1 6 6 GLY C C 13 168.644 0.000 . 1 . . . . . 6 G C . 26973 1 25 . 1 1 6 6 GLY CA C 13 42.149 0.000 . 1 . . . . . 6 G CA . 26973 1 26 . 1 1 6 6 GLY N N 15 108.770 0.033 . 1 . . . . . 6 G N . 26973 1 27 . 1 1 7 7 LYS C C 13 172.015 0.000 . 1 . . . . . 7 K C . 26973 1 28 . 1 1 7 7 LYS CA C 13 52.799 0.000 . 1 . . . . . 7 K CA . 26973 1 29 . 1 1 7 7 LYS CB C 13 32.224 0.000 . 1 . . . . . 7 K CB . 26973 1 30 . 1 1 8 8 LYS H H 1 8.123 0.013 . 1 . . . . . 8 K H . 26973 1 31 . 1 1 8 8 LYS C C 13 171.726 0.012 . 1 . . . . . 8 K C . 26973 1 32 . 1 1 8 8 LYS CA C 13 52.871 0.103 . 1 . . . . . 8 K CA . 26973 1 33 . 1 1 8 8 LYS CB C 13 31.575 0.079 . 1 . . . . . 8 K CB . 26973 1 34 . 1 1 8 8 LYS N N 15 119.021 0.074 . 1 . . . . . 8 K N . 26973 1 35 . 1 1 9 9 ILE H H 1 7.731 0.006 . 1 . . . . . 9 I H . 26973 1 36 . 1 1 9 9 ILE C C 13 171.414 0.072 . 1 . . . . . 9 I C . 26973 1 37 . 1 1 9 9 ILE CA C 13 57.183 0.045 . 1 . . . . . 9 I CA . 26973 1 38 . 1 1 9 9 ILE CB C 13 37.463 0.020 . 1 . . . . . 9 I CB . 26973 1 39 . 1 1 9 9 ILE N N 15 116.177 0.051 . 1 . . . . . 9 I N . 26973 1 40 . 1 1 10 10 PHE H H 1 8.190 0.003 . 1 . . . . . 10 F H . 26973 1 41 . 1 1 10 10 PHE C C 13 171.534 0.023 . 1 . . . . . 10 F C . 26973 1 42 . 1 1 10 10 PHE CA C 13 54.214 0.071 . 1 . . . . . 10 F CA . 26973 1 43 . 1 1 10 10 PHE CB C 13 38.042 0.013 . 1 . . . . . 10 F CB . 26973 1 44 . 1 1 10 10 PHE N N 15 120.323 0.046 . 1 . . . . . 10 F N . 26973 1 45 . 1 1 11 11 ILE H H 1 8.192 0.006 . 1 . . . . . 11 I H . 26973 1 46 . 1 1 11 11 ILE C C 13 172.027 0.000 . 1 . . . . . 11 I C . 26973 1 47 . 1 1 11 11 ILE CA C 13 57.763 0.046 . 1 . . . . . 11 I CA . 26973 1 48 . 1 1 11 11 ILE CB C 13 37.228 0.128 . 1 . . . . . 11 I CB . 26973 1 49 . 1 1 11 11 ILE N N 15 117.606 0.061 . 1 . . . . . 11 I N . 26973 1 50 . 1 1 12 12 MET H H 1 8.761 0.003 . 1 . . . . . 12 M H . 26973 1 51 . 1 1 12 12 MET C C 13 173.163 0.008 . 1 . . . . . 12 M C . 26973 1 52 . 1 1 12 12 MET CA C 13 53.838 0.104 . 1 . . . . . 12 M CA . 26973 1 53 . 1 1 12 12 MET CB C 13 34.188 0.047 . 1 . . . . . 12 M CB . 26973 1 54 . 1 1 12 12 MET N N 15 121.348 0.061 . 1 . . . . . 12 M N . 26973 1 55 . 1 1 13 13 LYS H H 1 9.493 0.005 . 1 . . . . . 13 K H . 26973 1 56 . 1 1 13 13 LYS C C 13 176.475 0.000 . 1 . . . . . 13 K C . 26973 1 57 . 1 1 13 13 LYS CA C 13 53.858 0.187 . 1 . . . . . 13 K CA . 26973 1 58 . 1 1 13 13 LYS CB C 13 31.546 0.088 . 1 . . . . . 13 K CB . 26973 1 59 . 1 1 13 13 LYS N N 15 119.472 0.048 . 1 . . . . . 13 K N . 26973 1 60 . 1 1 14 14 CYS H H 1 8.037 0.006 . 1 . . . . . 14 C H . 26973 1 61 . 1 1 14 14 CYS C C 13 172.247 0.026 . 1 . . . . . 14 C C . 26973 1 62 . 1 1 14 14 CYS CA C 13 53.060 0.076 . 1 . . . . . 14 C CA . 26973 1 63 . 1 1 14 14 CYS CB C 13 27.463 0.092 . 1 . . . . . 14 C CB . 26973 1 64 . 1 1 14 14 CYS N N 15 117.691 0.117 . 1 . . . . . 14 C N . 26973 1 65 . 1 1 15 15 SER H H 1 8.006 0.002 . 1 . . . . . 15 S H . 26973 1 66 . 1 1 15 15 SER C C 13 172.2 0.029 . 1 . . . . . 15 S C . 26973 1 67 . 1 1 15 15 SER CA C 13 54.654 0.104 . 1 . . . . . 15 S CA . 26973 1 68 . 1 1 15 15 SER CB C 13 61.032 0.071 . 1 . . . . . 15 S CB . 26973 1 69 . 1 1 15 15 SER N N 15 117.741 0.038 . 1 . . . . . 15 S N . 26973 1 70 . 1 1 16 16 GLN H H 1 8.621 0.003 . 1 . . . . . 16 Q H . 26973 1 71 . 1 1 16 16 GLN C C 13 171.212 0.000 . 1 . . . . . 16 Q C . 26973 1 72 . 1 1 16 16 GLN CA C 13 53.095 0.000 . 1 . . . . . 16 Q CA . 26973 1 73 . 1 1 16 16 GLN CB C 13 29.557 0.000 . 1 . . . . . 16 Q CB . 26973 1 74 . 1 1 16 16 GLN N N 15 120.716 0.082 . 1 . . . . . 16 Q N . 26973 1 75 . 1 1 17 17 CYS C C 13 171.827 0.000 . 1 . . . . . 17 C C . 26973 1 76 . 1 1 17 17 CYS CA C 13 57.736 0.039 . 1 . . . . . 17 C CA . 26973 1 77 . 1 1 17 17 CYS CB C 13 37.281 0.004 . 1 . . . . . 17 C CB . 26973 1 78 . 1 1 18 18 HIS H H 1 8.503 0.004 . 1 . . . . . 18 H H . 26973 1 79 . 1 1 18 18 HIS C C 13 172.192 0.000 . 1 . . . . . 18 H C . 26973 1 80 . 1 1 18 18 HIS CA C 13 53.014 0.000 . 1 . . . . . 18 H CA . 26973 1 81 . 1 1 18 18 HIS CB C 13 33.141 0.000 . 1 . . . . . 18 H CB . 26973 1 82 . 1 1 18 18 HIS N N 15 121.249 0.033 . 1 . . . . . 18 H N . 26973 1 83 . 1 1 19 19 THR C C 13 168.892 0.021 . 1 . . . . . 19 T C . 26973 1 84 . 1 1 19 19 THR CA C 13 56.963 0.000 . 1 . . . . . 19 T CA . 26973 1 85 . 1 1 19 19 THR CB C 13 65.824 0.105 . 1 . . . . . 19 T CB . 26973 1 86 . 1 1 20 20 VAL H H 1 6.705 0.004 . 1 . . . . . 20 V H . 26973 1 87 . 1 1 20 20 VAL C C 13 170.625 0.015 . 1 . . . . . 20 V C . 26973 1 88 . 1 1 20 20 VAL CA C 13 57.096 0.089 . 1 . . . . . 20 V CA . 26973 1 89 . 1 1 20 20 VAL CB C 13 29.990 0.015 . 1 . . . . . 20 V CB . 26973 1 90 . 1 1 20 20 VAL N N 15 115.239 0.036 . 1 . . . . . 20 V N . 26973 1 91 . 1 1 21 21 GLU H H 1 7.335 0.004 . 1 . . . . . 21 E H . 26973 1 92 . 1 1 21 21 GLU C C 13 171.027 0.007 . 1 . . . . . 21 E C . 26973 1 93 . 1 1 21 21 GLU CA C 13 51.977 0.078 . 1 . . . . . 21 E CA . 26973 1 94 . 1 1 21 21 GLU CB C 13 27.078 0.031 . 1 . . . . . 21 E CB . 26973 1 95 . 1 1 21 21 GLU N N 15 119.322 0.037 . 1 . . . . . 21 E N . 26973 1 96 . 1 1 22 22 LYS H H 1 7.543 0.003 . 1 . . . . . 22 K H . 26973 1 97 . 1 1 22 22 LYS C C 13 172.149 0.088 . 1 . . . . . 22 K C . 26973 1 98 . 1 1 22 22 LYS CA C 13 52.546 0.046 . 1 . . . . . 22 K CA . 26973 1 99 . 1 1 22 22 LYS CB C 13 31.783 0.139 . 1 . . . . . 22 K CB . 26973 1 100 . 1 1 22 22 LYS N N 15 118.347 0.077 . 1 . . . . . 22 K N . 26973 1 101 . 1 1 23 23 GLY H H 1 8.137 0.003 . 1 . . . . . 23 G H . 26973 1 102 . 1 1 23 23 GLY CA C 13 41.337 0.000 . 1 . . . . . 23 G CA . 26973 1 103 . 1 1 23 23 GLY N N 15 106.004 0.093 . 1 . . . . . 23 G N . 26973 1 104 . 1 1 24 24 GLY H H 1 7.926 0.001 . 1 . . . . . 24 G H . 26973 1 105 . 1 1 24 24 GLY C C 13 171.228 0.007 . 1 . . . . . 24 G C . 26973 1 106 . 1 1 24 24 GLY CA C 13 42.479 0.086 . 1 . . . . . 24 G CA . 26973 1 107 . 1 1 24 24 GLY N N 15 105.255 0.042 . 1 . . . . . 24 G N . 26973 1 108 . 1 1 25 25 LYS H H 1 8.163 0.012 . 1 . . . . . 25 K H . 26973 1 109 . 1 1 25 25 LYS C C 13 172.060 0.079 . 1 . . . . . 25 K C . 26973 1 110 . 1 1 25 25 LYS CA C 13 52.969 0.093 . 1 . . . . . 25 K CA . 26973 1 111 . 1 1 25 25 LYS CB C 13 31.614 0.042 . 1 . . . . . 25 K CB . 26973 1 112 . 1 1 25 25 LYS N N 15 117.695 0.100 . 1 . . . . . 25 K N . 26973 1 113 . 1 1 26 26 HIS H H 1 8.278 0.010 . 1 . . . . . 26 H H . 26973 1 114 . 1 1 26 26 HIS C C 13 170.208 0.026 . 1 . . . . . 26 H C . 26973 1 115 . 1 1 26 26 HIS CA C 13 51.948 0.032 . 1 . . . . . 26 H CA . 26973 1 116 . 1 1 26 26 HIS CB C 13 27.501 0.077 . 1 . . . . . 26 H CB . 26973 1 117 . 1 1 26 26 HIS N N 15 116.099 0.043 . 1 . . . . . 26 H N . 26973 1 118 . 1 1 27 27 LYS H H 1 8.083 0.009 . 1 . . . . . 27 K H . 26973 1 119 . 1 1 27 27 LYS C C 13 172.324 0.066 . 1 . . . . . 27 K C . 26973 1 120 . 1 1 27 27 LYS CA C 13 53.202 0.106 . 1 . . . . . 27 K CA . 26973 1 121 . 1 1 27 27 LYS CB C 13 31.667 0.030 . 1 . . . . . 27 K CB . 26973 1 122 . 1 1 27 27 LYS N N 15 118.795 0.057 . 1 . . . . . 27 K N . 26973 1 123 . 1 1 28 28 THR H H 1 7.980 0.004 . 1 . . . . . 28 T H . 26973 1 124 . 1 1 28 28 THR C C 13 170.472 0.012 . 1 . . . . . 28 T C . 26973 1 125 . 1 1 28 28 THR CA C 13 58.449 0.107 . 1 . . . . . 28 T CA . 26973 1 126 . 1 1 28 28 THR CB C 13 67.132 0.036 . 1 . . . . . 28 T CB . 26973 1 127 . 1 1 28 28 THR N N 15 111.797 0.046 . 1 . . . . . 28 T N . 26973 1 128 . 1 1 29 29 GLY H H 1 7.879 0.005 . 1 . . . . . 29 G H . 26973 1 129 . 1 1 29 29 GLY C C 13 169.6 0.000 . 1 . . . . . 29 G C . 26973 1 130 . 1 1 29 29 GLY CA C 13 41.988 0.000 . 1 . . . . . 29 G CA . 26973 1 131 . 1 1 29 29 GLY N N 15 105.924 0.050 . 1 . . . . . 29 G N . 26973 1 132 . 1 1 30 30 PRO C C 13 172.023 0.000 . 1 . . . . . 30 P C . 26973 1 133 . 1 1 30 30 PRO CA C 13 59.825 0.077 . 1 . . . . . 30 P CA . 26973 1 134 . 1 1 30 30 PRO CB C 13 29.693 0.014 . 1 . . . . . 30 P CB . 26973 1 135 . 1 1 31 31 ASN H H 1 8.224 0.003 . 1 . . . . . 31 N H . 26973 1 136 . 1 1 31 31 ASN C C 13 171.639 0.007 . 1 . . . . . 31 N C . 26973 1 137 . 1 1 31 31 ASN CA C 13 50.147 0.039 . 1 . . . . . 31 N CA . 26973 1 138 . 1 1 31 31 ASN CB C 13 37.241 0.033 . 1 . . . . . 31 N CB . 26973 1 139 . 1 1 31 31 ASN N N 15 116.512 0.025 . 1 . . . . . 31 N N . 26973 1 140 . 1 1 32 32 LEU H H 1 7.903 0.003 . 1 . . . . . 32 L H . 26973 1 141 . 1 1 32 32 LEU C C 13 172.770 0.028 . 1 . . . . . 32 L C . 26973 1 142 . 1 1 32 32 LEU CA C 13 51.861 0.048 . 1 . . . . . 32 L CA . 26973 1 143 . 1 1 32 32 LEU CB C 13 40.502 0.072 . 1 . . . . . 32 L CB . 26973 1 144 . 1 1 32 32 LEU N N 15 119.224 0.028 . 1 . . . . . 32 L N . 26973 1 145 . 1 1 33 33 HIS H H 1 8.166 0.003 . 1 . . . . . 33 H H . 26973 1 146 . 1 1 33 33 HIS C C 13 170.667 0.007 . 1 . . . . . 33 H C . 26973 1 147 . 1 1 33 33 HIS CA C 13 52.585 0.101 . 1 . . . . . 33 H CA . 26973 1 148 . 1 1 33 33 HIS CB C 13 27.102 0.042 . 1 . . . . . 33 H CB . 26973 1 149 . 1 1 33 33 HIS N N 15 114.852 0.043 . 1 . . . . . 33 H N . 26973 1 150 . 1 1 34 34 GLY H H 1 8.070 0.004 . 1 . . . . . 34 G H . 26973 1 151 . 1 1 34 34 GLY C C 13 169.107 0.007 . 1 . . . . . 34 G C . 26973 1 152 . 1 1 34 34 GLY CA C 13 42.599 0.067 . 1 . . . . . 34 G CA . 26973 1 153 . 1 1 34 34 GLY N N 15 105.800 0.021 . 1 . . . . . 34 G N . 26973 1 154 . 1 1 35 35 LEU H H 1 7.909 0.003 . 1 . . . . . 35 L H . 26973 1 155 . 1 1 35 35 LEU C C 13 172.218 0.024 . 1 . . . . . 35 L C . 26973 1 156 . 1 1 35 35 LEU CA C 13 52.630 0.146 . 1 . . . . . 35 L CA . 26973 1 157 . 1 1 35 35 LEU CB C 13 41.271 0.077 . 1 . . . . . 35 L CB . 26973 1 158 . 1 1 35 35 LEU N N 15 118.502 0.049 . 1 . . . . . 35 L N . 26973 1 159 . 1 1 36 36 PHE H H 1 7.982 0.003 . 1 . . . . . 36 F H . 26973 1 160 . 1 1 36 36 PHE C C 13 171.769 0.007 . 1 . . . . . 36 F C . 26973 1 161 . 1 1 36 36 PHE CA C 13 54.329 0.091 . 1 . . . . . 36 F CA . 26973 1 162 . 1 1 36 36 PHE CB C 13 37.890 0.067 . 1 . . . . . 36 F CB . 26973 1 163 . 1 1 36 36 PHE N N 15 116.699 0.051 . 1 . . . . . 36 F N . 26973 1 164 . 1 1 37 37 GLY H H 1 8.143 0.005 . 1 . . . . . 37 G H . 26973 1 165 . 1 1 37 37 GLY C C 13 169.069 0.006 . 1 . . . . . 37 G C . 26973 1 166 . 1 1 37 37 GLY CA C 13 42.498 0.030 . 1 . . . . . 37 G CA . 26973 1 167 . 1 1 37 37 GLY N N 15 105.806 0.037 . 1 . . . . . 37 G N . 26973 1 168 . 1 1 38 38 ARG H H 1 7.970 0.008 . 1 . . . . . 38 R H . 26973 1 169 . 1 1 38 38 ARG C C 13 171.697 0.115 . 1 . . . . . 38 R C . 26973 1 170 . 1 1 38 38 ARG CA C 13 52.673 0.073 . 1 . . . . . 38 R CA . 26973 1 171 . 1 1 38 38 ARG CB C 13 29.971 0.084 . 1 . . . . . 38 R CB . 26973 1 172 . 1 1 38 38 ARG N N 15 117.342 0.042 . 1 . . . . . 38 R N . 26973 1 173 . 1 1 39 39 LYS H H 1 8.158 0.006 . 1 . . . . . 39 K H . 26973 1 174 . 1 1 39 39 LYS C C 13 172.187 0.009 . 1 . . . . . 39 K C . 26973 1 175 . 1 1 39 39 LYS CA C 13 52.947 0.097 . 1 . . . . . 39 K CA . 26973 1 176 . 1 1 39 39 LYS CB C 13 31.406 0.015 . 1 . . . . . 39 K CB . 26973 1 177 . 1 1 39 39 LYS N N 15 119.156 0.051 . 1 . . . . . 39 K N . 26973 1 178 . 1 1 40 40 THR H H 1 7.738 0.003 . 1 . . . . . 40 T H . 26973 1 179 . 1 1 40 40 THR C C 13 170.845 0.008 . 1 . . . . . 40 T C . 26973 1 180 . 1 1 40 40 THR CA C 13 58.866 0.057 . 1 . . . . . 40 T CA . 26973 1 181 . 1 1 40 40 THR CB C 13 67.059 0.055 . 1 . . . . . 40 T CB . 26973 1 182 . 1 1 40 40 THR N N 15 111.097 0.051 . 1 . . . . . 40 T N . 26973 1 183 . 1 1 41 41 GLY H H 1 8.037 0.003 . 1 . . . . . 41 G H . 26973 1 184 . 1 1 41 41 GLY C C 13 169.101 0.007 . 1 . . . . . 41 G C . 26973 1 185 . 1 1 41 41 GLY CA C 13 42.625 0.079 . 1 . . . . . 41 G CA . 26973 1 186 . 1 1 41 41 GLY N N 15 107.050 0.018 . 1 . . . . . 41 G N . 26973 1 187 . 1 1 42 42 GLN H H 1 7.907 0.003 . 1 . . . . . 42 Q H . 26973 1 188 . 1 1 42 42 GLN C C 13 171.143 0.009 . 1 . . . . . 42 Q C . 26973 1 189 . 1 1 42 42 GLN CA C 13 52.531 0.049 . 1 . . . . . 42 Q CA . 26973 1 190 . 1 1 42 42 GLN CB C 13 28.640 0.047 . 1 . . . . . 42 Q CB . 26973 1 191 . 1 1 42 42 GLN N N 15 116.833 0.041 . 1 . . . . . 42 Q N . 26973 1 192 . 1 1 43 43 ALA H H 1 8.148 0.003 . 1 . . . . . 43 A H . 26973 1 193 . 1 1 43 43 ALA C C 13 173.099 0.000 . 1 . . . . . 43 A C . 26973 1 194 . 1 1 43 43 ALA CA C 13 46.840 0.000 . 1 . . . . . 43 A CA . 26973 1 195 . 1 1 43 43 ALA CB C 13 17.257 0.000 . 1 . . . . . 43 A CB . 26973 1 196 . 1 1 43 43 ALA N N 15 122.215 0.054 . 1 . . . . . 43 A N . 26973 1 197 . 1 1 44 44 PRO C C 13 172.376 0.010 . 1 . . . . . 44 P C . 26973 1 198 . 1 1 44 44 PRO CA C 13 60.150 0.058 . 1 . . . . . 44 P CA . 26973 1 199 . 1 1 44 44 PRO CB C 13 29.552 0.009 . 1 . . . . . 44 P CB . 26973 1 200 . 1 1 45 45 GLY H H 1 7.982 0.004 . 1 . . . . . 45 G H . 26973 1 201 . 1 1 45 45 GLY C C 13 168.955 0.004 . 1 . . . . . 45 G C . 26973 1 202 . 1 1 45 45 GLY CA C 13 42.460 0.046 . 1 . . . . . 45 G CA . 26973 1 203 . 1 1 45 45 GLY N N 15 104.206 0.017 . 1 . . . . . 45 G N . 26973 1 204 . 1 1 46 46 TYR H H 1 7.795 0.003 . 1 . . . . . 46 Y H . 26973 1 205 . 1 1 46 46 TYR C C 13 171.805 0.016 . 1 . . . . . 46 Y C . 26973 1 206 . 1 1 46 46 TYR CA C 13 54.482 0.036 . 1 . . . . . 46 Y CA . 26973 1 207 . 1 1 46 46 TYR CB C 13 37.350 0.040 . 1 . . . . . 46 Y CB . 26973 1 208 . 1 1 46 46 TYR N N 15 115.947 0.043 . 1 . . . . . 46 Y N . 26973 1 209 . 1 1 47 47 SER H H 1 8.080 0.003 . 1 . . . . . 47 S H . 26973 1 210 . 1 1 47 47 SER C C 13 170.377 0.000 . 1 . . . . . 47 S C . 26973 1 211 . 1 1 47 47 SER CA C 13 55.584 0.059 . 1 . . . . . 47 S CA . 26973 1 212 . 1 1 47 47 SER CB C 13 62.207 0.073 . 1 . . . . . 47 S CB . 26973 1 213 . 1 1 47 47 SER N N 15 113.455 0.043 . 1 . . . . . 47 S N . 26973 1 214 . 1 1 48 48 TYR H H 1 7.885 0.002 . 1 . . . . . 48 Y H . 26973 1 215 . 1 1 48 48 TYR C C 13 171.581 0.006 . 1 . . . . . 48 Y C . 26973 1 216 . 1 1 48 48 TYR CA C 13 54.849 0.045 . 1 . . . . . 48 Y CA . 26973 1 217 . 1 1 48 48 TYR CB C 13 36.840 0.082 . 1 . . . . . 48 Y CB . 26973 1 218 . 1 1 48 48 TYR N N 15 118.168 0.066 . 1 . . . . . 48 Y N . 26973 1 219 . 1 1 49 49 THR H H 1 7.868 0.003 . 1 . . . . . 49 T H . 26973 1 220 . 1 1 49 49 THR C C 13 170.114 0.110 . 1 . . . . . 49 T C . 26973 1 221 . 1 1 49 49 THR CA C 13 58.531 0.082 . 1 . . . . . 49 T CA . 26973 1 222 . 1 1 49 49 THR CB C 13 67.111 0.037 . 1 . . . . . 49 T CB . 26973 1 223 . 1 1 49 49 THR N N 15 111.047 0.084 . 1 . . . . . 49 T N . 26973 1 224 . 1 1 50 50 ALA H H 1 7.948 0.003 . 1 . . . . . 50 A H . 26973 1 225 . 1 1 50 50 ALA C C 13 172.663 0.035 . 1 . . . . . 50 A C . 26973 1 226 . 1 1 50 50 ALA CA C 13 48.844 0.098 . 1 . . . . . 50 A CA . 26973 1 227 . 1 1 50 50 ALA CB C 13 18.239 0.033 . 1 . . . . . 50 A CB . 26973 1 228 . 1 1 50 50 ALA N N 15 122.240 0.025 . 1 . . . . . 50 A N . 26973 1 229 . 1 1 51 51 ALA H H 1 7.978 0.003 . 1 . . . . . 51 A H . 26973 1 230 . 1 1 51 51 ALA C C 13 172.728 0.006 . 1 . . . . . 51 A C . 26973 1 231 . 1 1 51 51 ALA CA C 13 48.881 0.112 . 1 . . . . . 51 A CA . 26973 1 232 . 1 1 51 51 ALA CB C 13 18.188 0.013 . 1 . . . . . 51 A CB . 26973 1 233 . 1 1 51 51 ALA N N 15 119.299 0.026 . 1 . . . . . 51 A N . 26973 1 234 . 1 1 52 52 ASN H H 1 8.009 0.003 . 1 . . . . . 52 N H . 26973 1 235 . 1 1 52 52 ASN C C 13 171.529 0.051 . 1 . . . . . 52 N C . 26973 1 236 . 1 1 52 52 ASN CA C 13 50.205 0.092 . 1 . . . . . 52 N CA . 26973 1 237 . 1 1 52 52 ASN CB C 13 37.256 0.047 . 1 . . . . . 52 N CB . 26973 1 238 . 1 1 52 52 ASN N N 15 115.505 0.022 . 1 . . . . . 52 N N . 26973 1 239 . 1 1 53 53 LYS H H 1 7.885 0.006 . 1 . . . . . 53 K H . 26973 1 240 . 1 1 53 53 LYS C C 13 171.914 0.036 . 1 . . . . . 53 K C . 26973 1 241 . 1 1 53 53 LYS CA C 13 53.002 0.088 . 1 . . . . . 53 K CA . 26973 1 242 . 1 1 53 53 LYS CB C 13 31.309 0.019 . 1 . . . . . 53 K CB . 26973 1 243 . 1 1 53 53 LYS N N 15 117.394 0.069 . 1 . . . . . 53 K N . 26973 1 244 . 1 1 54 54 ASN H H 1 8.073 0.003 . 1 . . . . . 54 N H . 26973 1 245 . 1 1 54 54 ASN C C 13 171.432 0.029 . 1 . . . . . 54 N C . 26973 1 246 . 1 1 54 54 ASN CA C 13 50.592 0.082 . 1 . . . . . 54 N CA . 26973 1 247 . 1 1 54 54 ASN CB C 13 37.236 0.072 . 1 . . . . . 54 N CB . 26973 1 248 . 1 1 54 54 ASN N N 15 116.784 0.063 . 1 . . . . . 54 N N . 26973 1 249 . 1 1 55 55 LYS H H 1 7.861 0.005 . 1 . . . . . 55 K H . 26973 1 250 . 1 1 55 55 LYS C C 13 172.193 0.017 . 1 . . . . . 55 K C . 26973 1 251 . 1 1 55 55 LYS CA C 13 53.073 0.017 . 1 . . . . . 55 K CA . 26973 1 252 . 1 1 55 55 LYS CB C 13 31.368 0.016 . 1 . . . . . 55 K CB . 26973 1 253 . 1 1 55 55 LYS N N 15 117.353 0.070 . 1 . . . . . 55 K N . 26973 1 254 . 1 1 56 56 GLY H H 1 8.110 0.002 . 1 . . . . . 56 G H . 26973 1 255 . 1 1 56 56 GLY C C 13 168.908 0.010 . 1 . . . . . 56 G C . 26973 1 256 . 1 1 56 56 GLY CA C 13 42.714 0.047 . 1 . . . . . 56 G CA . 26973 1 257 . 1 1 56 56 GLY N N 15 105.250 0.058 . 1 . . . . . 56 G N . 26973 1 258 . 1 1 57 57 ILE H H 1 7.640 0.003 . 1 . . . . . 57 I H . 26973 1 259 . 1 1 57 57 ILE C C 13 171.304 0.007 . 1 . . . . . 57 I C . 26973 1 260 . 1 1 57 57 ILE CA C 13 57.238 0.059 . 1 . . . . . 57 I CA . 26973 1 261 . 1 1 57 57 ILE CB C 13 37.194 0.069 . 1 . . . . . 57 I CB . 26973 1 262 . 1 1 57 57 ILE N N 15 115.495 0.032 . 1 . . . . . 57 I N . 26973 1 263 . 1 1 58 58 ILE H H 1 7.814 0.003 . 1 . . . . . 58 I H . 26973 1 264 . 1 1 58 58 ILE C C 13 171.315 0.004 . 1 . . . . . 58 I C . 26973 1 265 . 1 1 58 58 ILE CA C 13 57.603 0.123 . 1 . . . . . 58 I CA . 26973 1 266 . 1 1 58 58 ILE CB C 13 36.887 0.021 . 1 . . . . . 58 I CB . 26973 1 267 . 1 1 58 58 ILE N N 15 119.551 0.026 . 1 . . . . . 58 I N . 26973 1 268 . 1 1 59 59 TRP H H 1 7.911 0.003 . 1 . . . . . 59 W H . 26973 1 269 . 1 1 59 59 TRP HE1 H 1 10.738 0.000 . 1 . . . . . 59 W HE1 . 26973 1 270 . 1 1 59 59 TRP C C 13 172.062 0.017 . 1 . . . . . 59 W C . 26973 1 271 . 1 1 59 59 TRP CA C 13 53.972 0.055 . 1 . . . . . 59 W CA . 26973 1 272 . 1 1 59 59 TRP CB C 13 28.218 0.009 . 1 . . . . . 59 W CB . 26973 1 273 . 1 1 59 59 TRP N N 15 121.532 0.048 . 1 . . . . . 59 W N . 26973 1 274 . 1 1 59 59 TRP NE1 N 15 131.023 0.000 . 1 . . . . . 59 W NE1 . 26973 1 275 . 1 1 60 60 GLY H H 1 8.063 0.003 . 1 . . . . . 60 G H . 26973 1 276 . 1 1 60 60 GLY C C 13 169.262 0.008 . 1 . . . . . 60 G C . 26973 1 277 . 1 1 60 60 GLY CA C 13 42.634 0.035 . 1 . . . . . 60 G CA . 26973 1 278 . 1 1 60 60 GLY N N 15 106.402 0.042 . 1 . . . . . 60 G N . 26973 1 279 . 1 1 61 61 GLU H H 1 7.976 0.003 . 1 . . . . . 61 E H . 26973 1 280 . 1 1 61 61 GLU C C 13 171.742 0.009 . 1 . . . . . 61 E C . 26973 1 281 . 1 1 61 61 GLU CA C 13 52.548 0.113 . 1 . . . . . 61 E CA . 26973 1 282 . 1 1 61 61 GLU CB C 13 27.961 0.028 . 1 . . . . . 61 E CB . 26973 1 283 . 1 1 61 61 GLU N N 15 116.461 0.033 . 1 . . . . . 61 E N . 26973 1 284 . 1 1 62 62 ASP H H 1 8.310 0.003 . 1 . . . . . 62 D H . 26973 1 285 . 1 1 62 62 ASP C C 13 171.193 0.005 . 1 . . . . . 62 D C . 26973 1 286 . 1 1 62 62 ASP CA C 13 50.096 0.048 . 1 . . . . . 62 D CA . 26973 1 287 . 1 1 62 62 ASP CB C 13 36.081 0.019 . 1 . . . . . 62 D CB . 26973 1 288 . 1 1 62 62 ASP N N 15 118.075 0.033 . 1 . . . . . 62 D N . 26973 1 289 . 1 1 63 63 THR H H 1 7.625 0.003 . 1 . . . . . 63 T H . 26973 1 290 . 1 1 63 63 THR C C 13 170.333 0.020 . 1 . . . . . 63 T C . 26973 1 291 . 1 1 63 63 THR CA C 13 58.888 0.080 . 1 . . . . . 63 T CA . 26973 1 292 . 1 1 63 63 THR CB C 13 66.832 0.034 . 1 . . . . . 63 T CB . 26973 1 293 . 1 1 63 63 THR N N 15 111.048 0.034 . 1 . . . . . 63 T N . 26973 1 294 . 1 1 64 64 LEU H H 1 7.790 0.003 . 1 . . . . . 64 L H . 26973 1 295 . 1 1 64 64 LEU C C 13 172.737 0.009 . 1 . . . . . 64 L C . 26973 1 296 . 1 1 64 64 LEU CA C 13 51.977 0.070 . 1 . . . . . 64 L CA . 26973 1 297 . 1 1 64 64 LEU CB C 13 40.829 0.106 . 1 . . . . . 64 L CB . 26973 1 298 . 1 1 64 64 LEU N N 15 119.686 0.026 . 1 . . . . . 64 L N . 26973 1 299 . 1 1 65 65 MET H H 1 7.956 0.006 . 1 . . . . . 65 M H . 26973 1 300 . 1 1 65 65 MET C C 13 172.119 0.086 . 1 . . . . . 65 M C . 26973 1 301 . 1 1 65 65 MET CB C 13 31.889 0.008 . 1 . . . . . 65 M CB . 26973 1 302 . 1 1 65 65 MET N N 15 117.356 0.043 . 1 . . . . . 65 M N . 26973 1 303 . 1 1 67 67 TYR CA C 13 51.749 0.145 . 1 . . . . . 67 Y CA . 26973 1 304 . 1 1 67 67 TYR CB C 13 40.490 0.000 . 1 . . . . . 67 Y CB . 26973 1 305 . 1 1 68 68 LEU H H 1 8.193 0.004 . 1 . . . . . 68 L H . 26973 1 306 . 1 1 68 68 LEU C C 13 171.464 0.107 . 1 . . . . . 68 L C . 26973 1 307 . 1 1 68 68 LEU CA C 13 50.269 0.063 . 1 . . . . . 68 L CA . 26973 1 308 . 1 1 68 68 LEU CB C 13 40.501 0.033 . 1 . . . . . 68 L CB . 26973 1 309 . 1 1 68 68 LEU N N 15 114.921 0.029 . 1 . . . . . 68 L N . 26973 1 310 . 1 1 69 69 GLU H H 1 8.048 0.005 . 1 . . . . . 69 E H . 26973 1 311 . 1 1 69 69 GLU C C 13 171.556 0.077 . 1 . . . . . 69 E C . 26973 1 312 . 1 1 69 69 GLU CA C 13 59.139 0.073 . 1 . . . . . 69 E CA . 26973 1 313 . 1 1 69 69 GLU CB C 13 32.275 0.013 . 1 . . . . . 69 E CB . 26973 1 314 . 1 1 69 69 GLU N N 15 119.474 0.049 . 1 . . . . . 69 E N . 26973 1 315 . 1 1 70 70 ASN H H 1 8.455 0.004 . 1 . . . . . 70 N H . 26973 1 316 . 1 1 70 70 ASN C C 13 176.117 0.000 . 1 . . . . . 70 N C . 26973 1 317 . 1 1 70 70 ASN CA C 13 50.118 0.000 . 1 . . . . . 70 N CA . 26973 1 318 . 1 1 70 70 ASN CB C 13 37.345 0.000 . 1 . . . . . 70 N CB . 26973 1 319 . 1 1 70 70 ASN N N 15 118.020 0.037 . 1 . . . . . 70 N N . 26973 1 320 . 1 1 71 71 PRO C C 13 172.068 0.133 . 1 . . . . . 71 P C . 26973 1 321 . 1 1 71 71 PRO CA C 13 60.317 0.042 . 1 . . . . . 71 P CA . 26973 1 322 . 1 1 71 71 PRO CB C 13 29.630 0.008 . 1 . . . . . 71 P CB . 26973 1 323 . 1 1 72 72 LYS H H 1 7.911 0.003 . 1 . . . . . 72 K H . 26973 1 324 . 1 1 72 72 LYS C C 13 171.982 0.153 . 1 . . . . . 72 K C . 26973 1 325 . 1 1 72 72 LYS CA C 13 52.959 0.129 . 1 . . . . . 72 K CA . 26973 1 326 . 1 1 72 72 LYS CB C 13 30.866 0.095 . 1 . . . . . 72 K CB . 26973 1 327 . 1 1 72 72 LYS N N 15 116.112 0.068 . 1 . . . . . 72 K N . 26973 1 328 . 1 1 73 73 LYS H H 1 7.649 0.005 . 1 . . . . . 73 K H . 26973 1 329 . 1 1 73 73 LYS C C 13 171.390 0.000 . 1 . . . . . 73 K C . 26973 1 330 . 1 1 73 73 LYS CA C 13 50.141 0.000 . 1 . . . . . 73 K CA . 26973 1 331 . 1 1 73 73 LYS CB C 13 31.658 0.000 . 1 . . . . . 73 K CB . 26973 1 332 . 1 1 73 73 LYS N N 15 116.445 0.028 . 1 . . . . . 73 K N . 26973 1 333 . 1 1 76 76 PRO C C 13 172.6 0.000 . 1 . . . . . 76 P C . 26973 1 334 . 1 1 76 76 PRO CA C 13 59.928 0.107 . 1 . . . . . 76 P CA . 26973 1 335 . 1 1 76 76 PRO CB C 13 29.798 0.033 . 1 . . . . . 76 P CB . 26973 1 336 . 1 1 77 77 GLY H H 1 8.206 0.004 . 1 . . . . . 77 G H . 26973 1 337 . 1 1 77 77 GLY C C 13 169.701 0.008 . 1 . . . . . 77 G C . 26973 1 338 . 1 1 77 77 GLY CA C 13 42.806 0.036 . 1 . . . . . 77 G CA . 26973 1 339 . 1 1 77 77 GLY N N 15 105.068 0.025 . 1 . . . . . 77 G N . 26973 1 340 . 1 1 78 78 THR H H 1 7.632 0.003 . 1 . . . . . 78 T H . 26973 1 341 . 1 1 78 78 THR C C 13 170.451 0.016 . 1 . . . . . 78 T C . 26973 1 342 . 1 1 78 78 THR CA C 13 58.899 0.030 . 1 . . . . . 78 T CA . 26973 1 343 . 1 1 78 78 THR CB C 13 67.075 0.091 . 1 . . . . . 78 T CB . 26973 1 344 . 1 1 78 78 THR N N 15 110.456 0.037 . 1 . . . . . 78 T N . 26973 1 345 . 1 1 79 79 LYS H H 1 8.003 0.005 . 1 . . . . . 79 K H . 26973 1 346 . 1 1 79 79 LYS C C 13 172.252 0.000 . 1 . . . . . 79 K C . 26973 1 347 . 1 1 79 79 LYS CA C 13 55.204 0.000 . 1 . . . . . 79 K CA . 26973 1 348 . 1 1 79 79 LYS CB C 13 36.682 0.000 . 1 . . . . . 79 K CB . 26973 1 349 . 1 1 79 79 LYS N N 15 119.281 0.047 . 1 . . . . . 79 K N . 26973 1 350 . 1 1 80 80 MET C C 13 171.524 0.003 . 1 . . . . . 80 M C . 26973 1 351 . 1 1 80 80 MET CA C 13 52.776 0.054 . 1 . . . . . 80 M CA . 26973 1 352 . 1 1 80 80 MET CB C 13 31.758 0.046 . 1 . . . . . 80 M CB . 26973 1 353 . 1 1 81 81 ILE H H 1 7.700 0.004 . 1 . . . . . 81 I H . 26973 1 354 . 1 1 81 81 ILE CA C 13 57.781 0.045 . 1 . . . . . 81 I CA . 26973 1 355 . 1 1 81 81 ILE CB C 13 37.206 0.043 . 1 . . . . . 81 I CB . 26973 1 356 . 1 1 81 81 ILE N N 15 116.340 0.049 . 1 . . . . . 81 I N . 26973 1 357 . 1 1 82 82 PHE H H 1 8.069 0.003 . 1 . . . . . 82 F H . 26973 1 358 . 1 1 82 82 PHE CA C 13 54.456 0.075 . 1 . . . . . 82 F CA . 26973 1 359 . 1 1 82 82 PHE CB C 13 37.507 0.054 . 1 . . . . . 82 F CB . 26973 1 360 . 1 1 82 82 PHE N N 15 120.184 0.045 . 1 . . . . . 82 F N . 26973 1 361 . 1 1 83 83 VAL H H 1 7.871 0.006 . 1 . . . . . 83 V H . 26973 1 362 . 1 1 83 83 VAL C C 13 171.981 0.029 . 1 . . . . . 83 V C . 26973 1 363 . 1 1 83 83 VAL CA C 13 59.232 0.029 . 1 . . . . . 83 V CA . 26973 1 364 . 1 1 83 83 VAL CB C 13 30.633 0.072 . 1 . . . . . 83 V CB . 26973 1 365 . 1 1 83 83 VAL N N 15 116.096 0.066 . 1 . . . . . 83 V N . 26973 1 366 . 1 1 84 84 GLY H H 1 8.054 0.010 . 1 . . . . . 84 G H . 26973 1 367 . 1 1 84 84 GLY C C 13 169.752 0.032 . 1 . . . . . 84 G C . 26973 1 368 . 1 1 84 84 GLY CA C 13 42.915 0.094 . 1 . . . . . 84 G CA . 26973 1 369 . 1 1 84 84 GLY N N 15 108.228 0.058 . 1 . . . . . 84 G N . 26973 1 370 . 1 1 85 85 ILE H H 1 7.849 0.004 . 1 . . . . . 85 I H . 26973 1 371 . 1 1 85 85 ILE CA C 13 58.255 0.093 . 1 . . . . . 85 I CA . 26973 1 372 . 1 1 85 85 ILE CB C 13 36.855 0.115 . 1 . . . . . 85 I CB . 26973 1 373 . 1 1 85 85 ILE N N 15 116.603 0.064 . 1 . . . . . 85 I N . 26973 1 374 . 1 1 86 86 LYS H H 1 8.119 0.010 . 1 . . . . . 86 K H . 26973 1 375 . 1 1 86 86 LYS CA C 13 53.937 0.000 . 1 . . . . . 86 K CA . 26973 1 376 . 1 1 86 86 LYS CB C 13 31.103 0.000 . 1 . . . . . 86 K CB . 26973 1 377 . 1 1 86 86 LYS N N 15 121.386 0.041 . 1 . . . . . 86 K N . 26973 1 378 . 1 1 90 90 GLU CA C 13 53.092 0.004 . 1 . . . . . 90 E CA . 26973 1 379 . 1 1 90 90 GLU CB C 13 27.579 0.009 . 1 . . . . . 90 E CB . 26973 1 380 . 1 1 91 91 ARG H H 1 8.041 0.004 . 1 . . . . . 91 R H . 26973 1 381 . 1 1 91 91 ARG C C 13 172.110 0.019 . 1 . . . . . 91 R C . 26973 1 382 . 1 1 91 91 ARG CA C 13 53.521 0.103 . 1 . . . . . 91 R CA . 26973 1 383 . 1 1 91 91 ARG CB C 13 28.962 0.049 . 1 . . . . . 91 R CB . 26973 1 384 . 1 1 91 91 ARG N N 15 118.536 0.079 . 1 . . . . . 91 R N . 26973 1 385 . 1 1 92 92 ALA H H 1 8.047 0.004 . 1 . . . . . 92 A H . 26973 1 386 . 1 1 92 92 ALA C C 13 173.376 0.013 . 1 . . . . . 92 A C . 26973 1 387 . 1 1 92 92 ALA CA C 13 49.547 0.083 . 1 . . . . . 92 A CA . 26973 1 388 . 1 1 92 92 ALA CB C 13 18.144 0.028 . 1 . . . . . 92 A CB . 26973 1 389 . 1 1 92 92 ALA N N 15 120.824 0.028 . 1 . . . . . 92 A N . 26973 1 390 . 1 1 93 93 ASP H H 1 8.214 0.004 . 1 . . . . . 93 D H . 26973 1 391 . 1 1 93 93 ASP C C 13 171.532 0.031 . 1 . . . . . 93 D C . 26973 1 392 . 1 1 93 93 ASP CA C 13 50.474 0.211 . 1 . . . . . 93 D CA . 26973 1 393 . 1 1 93 93 ASP CB C 13 36.046 0.031 . 1 . . . . . 93 D CB . 26973 1 394 . 1 1 93 93 ASP N N 15 116.427 0.039 . 1 . . . . . 93 D N . 26973 1 395 . 1 1 94 94 LEU H H 1 7.820 0.004 . 1 . . . . . 94 L H . 26973 1 396 . 1 1 94 94 LEU C C 13 173.088 0.011 . 1 . . . . . 94 L C . 26973 1 397 . 1 1 94 94 LEU CA C 13 52.633 0.118 . 1 . . . . . 94 L CA . 26973 1 398 . 1 1 94 94 LEU CB C 13 40.867 0.102 . 1 . . . . . 94 L CB . 26973 1 399 . 1 1 94 94 LEU N N 15 118.520 0.061 . 1 . . . . . 94 L N . 26973 1 400 . 1 1 95 95 ILE H H 1 7.826 0.004 . 1 . . . . . 95 I H . 26973 1 401 . 1 1 95 95 ILE C C 13 171.752 0.001 . 1 . . . . . 95 I C . 26973 1 402 . 1 1 95 95 ILE CA C 13 58.435 0.121 . 1 . . . . . 95 I CA . 26973 1 403 . 1 1 95 95 ILE CB C 13 36.343 0.023 . 1 . . . . . 95 I CB . 26973 1 404 . 1 1 95 95 ILE N N 15 116.427 0.061 . 1 . . . . . 95 I N . 26973 1 405 . 1 1 96 96 ALA H H 1 7.890 0.003 . 1 . . . . . 96 A H . 26973 1 406 . 1 1 96 96 ALA C C 13 173.048 0.002 . 1 . . . . . 96 A C . 26973 1 407 . 1 1 96 96 ALA CA C 13 49.787 0.065 . 1 . . . . . 96 A CA . 26973 1 408 . 1 1 96 96 ALA CB C 13 17.989 0.042 . 1 . . . . . 96 A CB . 26973 1 409 . 1 1 96 96 ALA N N 15 122.355 0.039 . 1 . . . . . 96 A N . 26973 1 410 . 1 1 97 97 TYR H H 1 7.760 0.003 . 1 . . . . . 97 Y H . 26973 1 411 . 1 1 97 97 TYR C C 13 171.787 0.000 . 1 . . . . . 97 Y C . 26973 1 412 . 1 1 97 97 TYR CA C 13 55.487 0.088 . 1 . . . . . 97 Y CA . 26973 1 413 . 1 1 97 97 TYR CB C 13 36.790 0.046 . 1 . . . . . 97 Y CB . 26973 1 414 . 1 1 97 97 TYR N N 15 115.262 0.029 . 1 . . . . . 97 Y N . 26973 1 415 . 1 1 98 98 LEU H H 1 7.873 0.005 . 1 . . . . . 98 L H . 26973 1 416 . 1 1 98 98 LEU CA C 13 52.532 0.000 . 1 . . . . . 98 L CA . 26973 1 417 . 1 1 98 98 LEU CB C 13 40.752 0.000 . 1 . . . . . 98 L CB . 26973 1 418 . 1 1 98 98 LEU N N 15 118.096 0.076 . 1 . . . . . 98 L N . 26973 1 419 . 1 1 100 100 LYS H H 1 7.818 0.005 . 1 . . . . . 100 K H . 26973 1 420 . 1 1 100 100 LYS C C 13 171.887 0.035 . 1 . . . . . 100 K C . 26973 1 421 . 1 1 100 100 LYS CA C 13 53.037 0.008 . 1 . . . . . 100 K CA . 26973 1 422 . 1 1 100 100 LYS CB C 13 31.586 0.075 . 1 . . . . . 100 K CB . 26973 1 423 . 1 1 100 100 LYS N N 15 117.339 0.047 . 1 . . . . . 100 K N . 26973 1 424 . 1 1 101 101 ALA H H 1 8.005 0.003 . 1 . . . . . 101 A H . 26973 1 425 . 1 1 101 101 ALA C C 13 172.792 0.011 . 1 . . . . . 101 A C . 26973 1 426 . 1 1 101 101 ALA CA C 13 48.882 0.055 . 1 . . . . . 101 A CA . 26973 1 427 . 1 1 101 101 ALA CB C 13 18.098 0.033 . 1 . . . . . 101 A CB . 26973 1 428 . 1 1 101 101 ALA N N 15 120.858 0.057 . 1 . . . . . 101 A N . 26973 1 429 . 1 1 102 102 THR H H 1 7.621 0.003 . 1 . . . . . 102 T H . 26973 1 430 . 1 1 102 102 THR C C 13 176.075 0.005 . 1 . . . . . 102 T C . 26973 1 431 . 1 1 102 102 THR CA C 13 58.331 0.086 . 1 . . . . . 102 T CA . 26973 1 432 . 1 1 102 102 THR CB C 13 67.019 0.103 . 1 . . . . . 102 T CB . 26973 1 433 . 1 1 102 102 THR N N 15 108.930 0.020 . 1 . . . . . 102 T N . 26973 1 434 . 1 1 103 103 ASN H H 1 7.995 0.003 . 1 . . . . . 103 N H . 26973 1 435 . 1 1 103 103 ASN C C 13 171.391 0.030 . 1 . . . . . 103 N C . 26973 1 436 . 1 1 103 103 ASN CA C 13 49.993 0.111 . 1 . . . . . 103 N CA . 26973 1 437 . 1 1 103 103 ASN CB C 13 37.371 0.057 . 1 . . . . . 103 N CB . 26973 1 438 . 1 1 103 103 ASN N N 15 118.041 0.067 . 1 . . . . . 103 N N . 26973 1 439 . 1 1 104 104 GLU H H 1 7.882 0.003 . 1 . . . . . 104 E H . 26973 1 440 . 1 1 104 104 GLU C C 13 173.342 0.000 . 1 . . . . . 104 E C . 26973 1 441 . 1 1 104 104 GLU CA C 13 51.920 0.000 . 1 . . . . . 104 E CA . 26973 1 442 . 1 1 104 104 GLU CB C 13 26.808 0.000 . 1 . . . . . 104 E CB . 26973 1 443 . 1 1 104 104 GLU N N 15 115.579 0.051 . 1 . . . . . 104 E N . 26973 1 stop_ save_