################################### # 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 19993 _Assigned_chem_shift_list.ID 1 _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 $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' . . . 19993 1 2 '3D CBCA(CO)NH' . . . 19993 1 3 '3D HNCACB' . . . 19993 1 4 '3D HNCO' . . . 19993 1 5 '3D HCACO' . . . 19993 1 6 '3D HNCA' . . . 19993 1 7 '3D C(CO)NH' . . . 19993 1 8 '3D HBHA(CO)NH' . . . 19993 1 9 '3D HBHANH' . . . 19993 1 10 '3D HN(CO)CA' . . . 19993 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 $CCPN . . 19993 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.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 HA H 1 4.513 . . 1 . . . . 1 M HA . 19993 1 2 . 1 1 1 1 MET HB2 H 1 2.108 . . 1 . . . . 1 M HB2 . 19993 1 3 . 1 1 1 1 MET HB3 H 1 2.011 . . 1 . . . . 1 M HB3 . 19993 1 4 . 1 1 1 1 MET C C 13 175.960 . . 1 . . . . 1 M C . 19993 1 5 . 1 1 1 1 MET CA C 13 55.491 . . 1 . . . . 1 M CA . 19993 1 6 . 1 1 1 1 MET CB C 13 32.813 . . 1 . . . . 1 M CB . 19993 1 7 . 1 1 2 2 ALA H H 1 8.206 . . 1 . . . . 2 A HN . 19993 1 8 . 1 1 2 2 ALA HA H 1 4.281 . . 1 . . . . 2 A HA . 19993 1 9 . 1 1 2 2 ALA HB1 H 1 1.386 . . 1 . . . . 2 A QB . 19993 1 10 . 1 1 2 2 ALA HB2 H 1 1.386 . . 1 . . . . 2 A QB . 19993 1 11 . 1 1 2 2 ALA HB3 H 1 1.386 . . 1 . . . . 2 A QB . 19993 1 12 . 1 1 2 2 ALA C C 13 177.428 . . 1 . . . . 2 A C . 19993 1 13 . 1 1 2 2 ALA CA C 13 52.535 . . 1 . . . . 2 A CA . 19993 1 14 . 1 1 2 2 ALA CB C 13 19.059 . . 1 . . . . 2 A CB . 19993 1 15 . 1 1 2 2 ALA N N 15 126.180 . . 1 . . . . 2 A N . 19993 1 16 . 1 1 3 3 ALA H H 1 8.162 . . 1 . . . . 3 A HN . 19993 1 17 . 1 1 3 3 ALA HA H 1 4.312 . . 1 . . . . 3 A HA . 19993 1 18 . 1 1 3 3 ALA HB1 H 1 1.383 . . 1 . . . . 3 A QB . 19993 1 19 . 1 1 3 3 ALA HB2 H 1 1.383 . . 1 . . . . 3 A QB . 19993 1 20 . 1 1 3 3 ALA HB3 H 1 1.383 . . 1 . . . . 3 A QB . 19993 1 21 . 1 1 3 3 ALA C C 13 177.812 . . 1 . . . . 3 A C . 19993 1 22 . 1 1 3 3 ALA CA C 13 52.378 . . 1 . . . . 3 A CA . 19993 1 23 . 1 1 3 3 ALA CB C 13 19.032 . . 1 . . . . 3 A CB . 19993 1 24 . 1 1 3 3 ALA N N 15 124.211 . . 1 . . . . 3 A N . 19993 1 25 . 1 1 4 4 VAL H H 1 8.005 . . 1 . . . . 4 V HN . 19993 1 26 . 1 1 4 4 VAL HA H 1 4.069 . . 1 . . . . 4 V HA . 19993 1 27 . 1 1 4 4 VAL HB H 1 2.051 . . 1 . . . . 4 V HB . 19993 1 28 . 1 1 4 4 VAL C C 13 176.253 . . 1 . . . . 4 V C . 19993 1 29 . 1 1 4 4 VAL CA C 13 62.299 . . 1 . . . . 4 V CA . 19993 1 30 . 1 1 4 4 VAL CB C 13 32.778 . . 1 . . . . 4 V CB . 19993 1 31 . 1 1 4 4 VAL N N 15 120.475 . . 1 . . . . 4 V N . 19993 1 32 . 1 1 5 5 GLN H H 1 8.331 . . 1 . . . . 5 Q HN . 19993 1 33 . 1 1 5 5 GLN HA H 1 4.325 . . 1 . . . . 5 Q HA . 19993 1 34 . 1 1 5 5 GLN C C 13 175.621 . . 1 . . . . 5 Q C . 19993 1 35 . 1 1 5 5 GLN CA C 13 55.696 . . 1 . . . . 5 Q CA . 19993 1 36 . 1 1 5 5 GLN CB C 13 29.404 . . 1 . . . . 5 Q CB . 19993 1 37 . 1 1 5 5 GLN N N 15 125.106 . . 1 . . . . 5 Q N . 19993 1 38 . 1 1 6 6 ALA H H 1 8.238 . . 1 . . . . 6 A HN . 19993 1 39 . 1 1 6 6 ALA HA H 1 4.283 . . 1 . . . . 6 A HA . 19993 1 40 . 1 1 6 6 ALA HB1 H 1 1.394 . . 1 . . . . 6 A QB . 19993 1 41 . 1 1 6 6 ALA HB2 H 1 1.394 . . 1 . . . . 6 A QB . 19993 1 42 . 1 1 6 6 ALA HB3 H 1 1.394 . . 1 . . . . 6 A QB . 19993 1 43 . 1 1 6 6 ALA C C 13 177.350 . . 1 . . . . 6 A C . 19993 1 44 . 1 1 6 6 ALA CA C 13 52.501 . . 1 . . . . 6 A CA . 19993 1 45 . 1 1 6 6 ALA CB C 13 19.089 . . 1 . . . . 6 A CB . 19993 1 46 . 1 1 6 6 ALA N N 15 126.212 . . 1 . . . . 6 A N . 19993 1 47 . 1 1 7 7 ALA H H 1 8.223 . . 1 . . . . 7 A HN . 19993 1 48 . 1 1 7 7 ALA HA H 1 4.309 . . 1 . . . . 7 A HA . 19993 1 49 . 1 1 7 7 ALA HB1 H 1 1.387 . . 1 . . . . 7 A QB . 19993 1 50 . 1 1 7 7 ALA HB2 H 1 1.387 . . 1 . . . . 7 A QB . 19993 1 51 . 1 1 7 7 ALA HB3 H 1 1.387 . . 1 . . . . 7 A QB . 19993 1 52 . 1 1 7 7 ALA C C 13 177.782 . . 1 . . . . 7 A C . 19993 1 53 . 1 1 7 7 ALA CA C 13 52.430 . . 1 . . . . 7 A CA . 19993 1 54 . 1 1 7 7 ALA CB C 13 19.171 . . 1 . . . . 7 A CB . 19993 1 55 . 1 1 7 7 ALA N N 15 124.473 . . 1 . . . . 7 A N . 19993 1 56 . 1 1 8 8 GLU H H 1 8.234 . . 1 . . . . 8 E HN . 19993 1 57 . 1 1 8 8 GLU HA H 1 4.267 . . 1 . . . . 8 E HA . 19993 1 58 . 1 1 8 8 GLU HB2 H 1 1.937 . . 1 . . . . 8 E HB2 . 19993 1 59 . 1 1 8 8 GLU HB3 H 1 1.981 . . 1 . . . . 8 E HB3 . 19993 1 60 . 1 1 8 8 GLU C C 13 176.294 . . 1 . . . . 8 E C . 19993 1 61 . 1 1 8 8 GLU CA C 13 56.461 . . 1 . . . . 8 E CA . 19993 1 62 . 1 1 8 8 GLU CB C 13 30.438 . . 1 . . . . 8 E CB . 19993 1 63 . 1 1 8 8 GLU N N 15 121.125 . . 1 . . . . 8 E N . 19993 1 64 . 1 1 9 9 VAL H H 1 8.100 . . 1 . . . . 9 V HN . 19993 1 65 . 1 1 9 9 VAL HA H 1 4.072 . . 1 . . . . 9 V HA . 19993 1 66 . 1 1 9 9 VAL HB H 1 2.024 . . 1 . . . . 9 V HB . 19993 1 67 . 1 1 9 9 VAL C C 13 175.785 . . 1 . . . . 9 V C . 19993 1 68 . 1 1 9 9 VAL CA C 13 62.258 . . 1 . . . . 9 V CA . 19993 1 69 . 1 1 9 9 VAL CB C 13 32.755 . . 1 . . . . 9 V CB . 19993 1 70 . 1 1 9 9 VAL N N 15 123.099 . . 1 . . . . 9 V N . 19993 1 71 . 1 1 10 10 LYS H H 1 8.359 . . 1 . . . . 10 K HN . 19993 1 72 . 1 1 10 10 LYS HA H 1 4.261 . . 1 . . . . 10 K HA . 19993 1 73 . 1 1 10 10 LYS HB2 H 1 1.746 . . 1 . . . . 10 K HB2 . 19993 1 74 . 1 1 10 10 LYS HB3 H 1 1.795 . . 1 . . . . 10 K HB3 . 19993 1 75 . 1 1 10 10 LYS C C 13 176.397 . . 1 . . . . 10 K C . 19993 1 76 . 1 1 10 10 LYS CA C 13 55.904 . . 1 . . . . 10 K CA . 19993 1 77 . 1 1 10 10 LYS N N 15 127.174 . . 1 . . . . 10 K N . 19993 1 78 . 1 1 11 11 VAL H H 1 8.244 . . 1 . . . . 11 V HN . 19993 1 79 . 1 1 11 11 VAL HA H 1 4.161 . . 1 . . . . 11 V HA . 19993 1 80 . 1 1 11 11 VAL HB H 1 2.065 . . 1 . . . . 11 V HB . 19993 1 81 . 1 1 11 11 VAL C C 13 175.895 . . 1 . . . . 11 V C . 19993 1 82 . 1 1 11 11 VAL CA C 13 62.044 . . 1 . . . . 11 V CA . 19993 1 83 . 1 1 11 11 VAL CB C 13 32.961 . . 1 . . . . 11 V CB . 19993 1 84 . 1 1 11 11 VAL CG2 C 13 17.982 . . 1 . . . . 11 V CG2 . 19993 1 85 . 1 1 11 11 VAL N N 15 123.080 . . 1 . . . . 11 V N . 19993 1 86 . 1 1 12 12 ASP H H 1 8.432 . . 1 . . . . 12 D HN . 19993 1 87 . 1 1 12 12 ASP HA H 1 4.621 . . 1 . . . . 12 D HA . 19993 1 88 . 1 1 12 12 ASP HB3 H 1 2.694 . . 1 . . . . 12 D HB3 . 19993 1 89 . 1 1 12 12 ASP C C 13 176.756 . . 1 . . . . 12 D C . 19993 1 90 . 1 1 12 12 ASP CA C 13 54.376 . . 1 . . . . 12 D CA . 19993 1 91 . 1 1 12 12 ASP CB C 13 41.252 . . 1 . . . . 12 D CB . 19993 1 92 . 1 1 12 12 ASP N N 15 125.222 . . 1 . . . . 12 D N . 19993 1 93 . 1 1 13 13 GLY H H 1 8.383 . . 1 . . . . 13 G HN . 19993 1 94 . 1 1 13 13 GLY HA2 H 1 4.006 . . 1 . . . . 13 G HA1 . 19993 1 95 . 1 1 13 13 GLY HA3 H 1 4.004 . . 1 . . . . 13 G HA2 . 19993 1 96 . 1 1 13 13 GLY C C 13 174.387 . . 1 . . . . 13 G C . 19993 1 97 . 1 1 13 13 GLY CA C 13 45.451 . . 1 . . . . 13 G CA . 19993 1 98 . 1 1 13 13 GLY N N 15 110.983 . . 1 . . . . 13 G N . 19993 1 99 . 1 1 14 14 SER H H 1 8.167 . . 1 . . . . 14 S HN . 19993 1 100 . 1 1 14 14 SER HA H 1 4.435 . . 1 . . . . 14 S HA . 19993 1 101 . 1 1 14 14 SER HB3 H 1 3.875 . . 1 . . . . 14 S HB3 . 19993 1 102 . 1 1 14 14 SER C C 13 174.247 . . 1 . . . . 14 S C . 19993 1 103 . 1 1 14 14 SER CA C 13 58.504 . . 1 . . . . 14 S CA . 19993 1 104 . 1 1 14 14 SER CB C 13 63.939 . . 1 . . . . 14 S CB . 19993 1 105 . 1 1 14 14 SER N N 15 116.514 . . 1 . . . . 14 S N . 19993 1 106 . 1 1 15 15 GLU H H 1 8.332 . . 1 . . . . 15 E HN . 19993 1 107 . 1 1 15 15 GLU HA H 1 4.589 . . 1 . . . . 15 E HA . 19993 1 108 . 1 1 15 15 GLU HB2 H 1 2.051 . . 1 . . . . 15 E HB2 . 19993 1 109 . 1 1 15 15 GLU HB3 H 1 1.933 . . 1 . . . . 15 E HB3 . 19993 1 110 . 1 1 15 15 GLU C C 13 174.520 . . 1 . . . . 15 E C . 19993 1 111 . 1 1 15 15 GLU CA C 13 54.685 . . 1 . . . . 15 E CA . 19993 1 112 . 1 1 15 15 GLU CB C 13 29.590 . . 1 . . . . 15 E CB . 19993 1 113 . 1 1 15 15 GLU N N 15 124.518 . . 1 . . . . 15 E N . 19993 1 114 . 1 1 16 16 PRO HA H 1 4.405 . . 1 . . . . 16 P HA . 19993 1 115 . 1 1 16 16 PRO HB2 H 1 2.291 . . 1 . . . . 16 P HB2 . 19993 1 116 . 1 1 16 16 PRO HB3 H 1 1.876 . . 1 . . . . 16 P HB3 . 19993 1 117 . 1 1 17 17 LYS H H 1 8.372 . . 1 . . . . 17 K HN . 19993 1 118 . 1 1 17 17 LYS HA H 1 4.310 . . 1 . . . . 17 K HA . 19993 1 119 . 1 1 17 17 LYS HB2 H 1 1.774 . . 1 . . . . 17 K HB2 . 19993 1 120 . 1 1 17 17 LYS HB3 H 1 1.827 . . 1 . . . . 17 K HB3 . 19993 1 121 . 1 1 17 17 LYS C C 13 176.583 . . 1 . . . . 17 K C . 19993 1 122 . 1 1 17 17 LYS CA C 13 56.194 . . 1 . . . . 17 K CA . 19993 1 123 . 1 1 17 17 LYS N N 15 122.409 . . 1 . . . . 17 K N . 19993 1 124 . 1 1 18 18 LEU H H 1 8.088 . . 1 . . . . 18 L HN . 19993 1 125 . 1 1 18 18 LEU HA H 1 4.327 . . 1 . . . . 18 L HA . 19993 1 126 . 1 1 18 18 LEU HB2 H 1 1.712 . . 1 . . . . 18 L HB2 . 19993 1 127 . 1 1 18 18 LEU HB3 H 1 1.591 . . 1 . . . . 18 L HB3 . 19993 1 128 . 1 1 18 18 LEU C C 13 178.052 . . 1 . . . . 18 L C . 19993 1 129 . 1 1 18 18 LEU CA C 13 55.955 . . 1 . . . . 18 L CA . 19993 1 130 . 1 1 18 18 LEU CB C 13 42.213 . . 1 . . . . 18 L CB . 19993 1 131 . 1 1 18 18 LEU N N 15 122.898 . . 1 . . . . 18 L N . 19993 1 132 . 1 1 19 19 SER H H 1 8.143 . . 1 . . . . 19 S HN . 19993 1 133 . 1 1 19 19 SER HA H 1 4.419 . . 1 . . . . 19 S HA . 19993 1 134 . 1 1 19 19 SER HB3 H 1 3.917 . . 1 . . . . 19 S HB3 . 19993 1 135 . 1 1 19 19 SER C C 13 174.940 . . 1 . . . . 19 S C . 19993 1 136 . 1 1 19 19 SER CA C 13 58.739 . . 1 . . . . 19 S CA . 19993 1 137 . 1 1 19 19 SER CB C 13 63.665 . . 1 . . . . 19 S CB . 19993 1 138 . 1 1 19 19 SER N N 15 116.606 . . 1 . . . . 19 S N . 19993 1 139 . 1 1 22 22 GLU H H 1 8.092 . . 1 . . . . 22 E HN . 19993 1 140 . 1 1 22 22 GLU HA H 1 4.204 . . 1 . . . . 22 E HA . 19993 1 141 . 1 1 22 22 GLU HB2 H 1 2.053 . . 1 . . . . 22 E HB2 . 19993 1 142 . 1 1 22 22 GLU HB3 H 1 2.051 . . 1 . . . . 22 E HB3 . 19993 1 143 . 1 1 22 22 GLU CA C 13 57.719 . . 1 . . . . 22 E CA . 19993 1 144 . 1 1 22 22 GLU CB C 13 29.837 . . 1 . . . . 22 E CB . 19993 1 145 . 1 1 22 22 GLU N N 15 122.449 . . 1 . . . . 22 E N . 19993 1 146 . 1 1 23 23 LEU H H 1 8.137 . . 1 . . . . 23 L HN . 19993 1 147 . 1 1 23 23 LEU HA H 1 4.172 . . 1 . . . . 23 L HA . 19993 1 148 . 1 1 23 23 LEU HB2 H 1 1.622 . . 1 . . . . 23 L HB2 . 19993 1 149 . 1 1 23 23 LEU HB3 H 1 1.629 . . 1 . . . . 23 L HB3 . 19993 1 150 . 1 1 23 23 LEU C C 13 178.254 . . 1 . . . . 23 L C . 19993 1 151 . 1 1 23 23 LEU CA C 13 56.747 . . 1 . . . . 23 L CA . 19993 1 152 . 1 1 23 23 LEU CB C 13 42.181 . . 1 . . . . 23 L CB . 19993 1 153 . 1 1 23 23 LEU N N 15 122.726 . . 1 . . . . 23 L N . 19993 1 154 . 1 1 24 24 LYS H H 1 7.949 . . 1 . . . . 24 K HN . 19993 1 155 . 1 1 24 24 LYS HA H 1 4.160 . . 1 . . . . 24 K HA . 19993 1 156 . 1 1 24 24 LYS HB2 H 1 1.861 . . 1 . . . . 24 K HB2 . 19993 1 157 . 1 1 24 24 LYS HB3 H 1 1.852 . . 1 . . . . 24 K HB3 . 19993 1 158 . 1 1 24 24 LYS C C 13 177.641 . . 1 . . . . 24 K C . 19993 1 159 . 1 1 24 24 LYS CA C 13 57.749 . . 1 . . . . 24 K CA . 19993 1 160 . 1 1 24 24 LYS CB C 13 32.529 . . 1 . . . . 24 K CB . 19993 1 161 . 1 1 24 24 LYS N N 15 120.565 . . 1 . . . . 24 K N . 19993 1 162 . 1 1 25 25 ARG H H 1 7.906 . . 1 . . . . 25 R HN . 19993 1 163 . 1 1 25 25 ARG HA H 1 4.178 . . 1 . . . . 25 R HA . 19993 1 164 . 1 1 25 25 ARG HB2 H 1 1.866 . . 1 . . . . 25 R HB2 . 19993 1 165 . 1 1 25 25 ARG C C 13 177.389 . . 1 . . . . 25 R C . 19993 1 166 . 1 1 25 25 ARG CA C 13 57.480 . . 1 . . . . 25 R CA . 19993 1 167 . 1 1 25 25 ARG CB C 13 30.549 . . 1 . . . . 25 R CB . 19993 1 168 . 1 1 25 25 ARG N N 15 121.329 . . 1 . . . . 25 R N . 19993 1 169 . 1 1 26 26 ARG H H 1 8.123 . . 1 . . . . 26 R HN . 19993 1 170 . 1 1 26 26 ARG HA H 1 4.266 . . 1 . . . . 26 R HA . 19993 1 171 . 1 1 26 26 ARG C C 13 177.063 . . 1 . . . . 26 R C . 19993 1 172 . 1 1 26 26 ARG CA C 13 56.473 . . 1 . . . . 26 R CA . 19993 1 173 . 1 1 26 26 ARG N N 15 121.973 . . 1 . . . . 26 R N . 19993 1 174 . 1 1 27 27 LEU H H 1 8.168 . . 1 . . . . 27 L HN . 19993 1 175 . 1 1 27 27 LEU HA H 1 4.272 . . 1 . . . . 27 L HA . 19993 1 176 . 1 1 27 27 LEU HB2 H 1 1.725 . . 1 . . . . 27 L HB2 . 19993 1 177 . 1 1 27 27 LEU HB3 H 1 1.587 . . 1 . . . . 27 L HB3 . 19993 1 178 . 1 1 27 27 LEU C C 13 177.958 . . 1 . . . . 27 L C . 19993 1 179 . 1 1 27 27 LEU CA C 13 55.731 . . 1 . . . . 27 L CA . 19993 1 180 . 1 1 27 27 LEU CB C 13 42.285 . . 1 . . . . 27 L CB . 19993 1 181 . 1 1 27 27 LEU N N 15 123.493 . . 1 . . . . 27 L N . 19993 1 182 . 1 1 28 28 LYS H H 1 8.013 . . 1 . . . . 28 K HN . 19993 1 183 . 1 1 28 28 LYS HA H 1 4.215 . . 1 . . . . 28 K HA . 19993 1 184 . 1 1 28 28 LYS HB3 H 1 1.833 . . 1 . . . . 28 K HB3 . 19993 1 185 . 1 1 28 28 LYS C C 13 176.839 . . 1 . . . . 28 K C . 19993 1 186 . 1 1 28 28 LYS CA C 13 57.105 . . 1 . . . . 28 K CA . 19993 1 187 . 1 1 28 28 LYS CB C 13 32.862 . . 1 . . . . 28 K CB . 19993 1 188 . 1 1 28 28 LYS N N 15 121.805 . . 1 . . . . 28 K N . 19993 1 189 . 1 1 29 29 ALA HA H 1 4.282 . . 1 . . . . 29 A HA . 19993 1 190 . 1 1 29 29 ALA HB1 H 1 1.423 . . 1 . . . . 29 A QB . 19993 1 191 . 1 1 29 29 ALA HB2 H 1 1.423 . . 1 . . . . 29 A QB . 19993 1 192 . 1 1 29 29 ALA HB3 H 1 1.423 . . 1 . . . . 29 A QB . 19993 1 193 . 1 1 29 29 ALA CA C 13 52.991 . . 1 . . . . 29 A CA . 19993 1 194 . 1 1 29 29 ALA CB C 13 19.019 . . 1 . . . . 29 A CB . 19993 1 195 . 1 1 29 29 ALA N N 15 125.020 . . 1 . . . . 29 A N . 19993 1 196 . 1 1 30 30 GLU H H 1 8.121 . . 1 . . . . 30 E HN . 19993 1 197 . 1 1 30 30 GLU HA H 1 4.210 . . 1 . . . . 30 E HA . 19993 1 198 . 1 1 30 30 GLU HB2 H 1 2.009 . . 1 . . . . 30 E HB2 . 19993 1 199 . 1 1 30 30 GLU HB3 H 1 2.029 . . 1 . . . . 30 E HB3 . 19993 1 200 . 1 1 30 30 GLU C C 13 178.508 . . 1 . . . . 30 E C . 19993 1 201 . 1 1 30 30 GLU CA C 13 56.847 . . 1 . . . . 30 E CA . 19993 1 202 . 1 1 30 30 GLU CB C 13 30.441 . . 1 . . . . 30 E CB . 19993 1 203 . 1 1 30 30 GLU N N 15 120.653 . . 1 . . . . 30 E N . 19993 1 204 . 1 1 31 31 LYS H H 1 8.310 . . 1 . . . . 31 K HN . 19993 1 205 . 1 1 31 31 LYS HA H 1 4.235 . . 1 . . . . 31 K HA . 19993 1 206 . 1 1 31 31 LYS C C 13 177.340 . . 1 . . . . 31 K C . 19993 1 207 . 1 1 31 31 LYS CA C 13 57.502 . . 1 . . . . 31 K CA . 19993 1 208 . 1 1 31 31 LYS N N 15 123.015 . . 1 . . . . 31 K N . 19993 1 209 . 1 1 32 32 LYS H H 1 8.095 . . 1 . . . . 32 K HN . 19993 1 210 . 1 1 32 32 LYS HA H 1 4.235 . . 1 . . . . 32 K HA . 19993 1 211 . 1 1 32 32 LYS HB3 H 1 1.828 . . 1 . . . . 32 K HB3 . 19993 1 212 . 1 1 32 32 LYS C C 13 177.088 . . 1 . . . . 32 K C . 19993 1 213 . 1 1 32 32 LYS CA C 13 57.145 . . 1 . . . . 32 K CA . 19993 1 214 . 1 1 32 32 LYS CB C 13 32.664 . . 1 . . . . 32 K CB . 19993 1 215 . 1 1 32 32 LYS N N 15 121.948 . . 1 . . . . 32 K N . 19993 1 216 . 1 1 33 33 VAL H H 1 8.019 . . 1 . . . . 33 V HN . 19993 1 217 . 1 1 33 33 VAL HA H 1 4.021 . . 1 . . . . 33 V HA . 19993 1 218 . 1 1 33 33 VAL HB H 1 2.083 . . 1 . . . . 33 V HB . 19993 1 219 . 1 1 33 33 VAL C C 13 176.220 . . 1 . . . . 33 V C . 19993 1 220 . 1 1 33 33 VAL CA C 13 62.972 . . 1 . . . . 33 V CA . 19993 1 221 . 1 1 33 33 VAL CB C 13 32.756 . . 1 . . . . 33 V CB . 19993 1 222 . 1 1 33 33 VAL N N 15 122.412 . . 1 . . . . 33 V N . 19993 1 223 . 1 1 34 34 ALA H H 1 8.039 . . 1 . . . . 34 A HN . 19993 1 224 . 1 1 34 34 ALA HA H 1 4.294 . . 1 . . . . 34 A HA . 19993 1 225 . 1 1 34 34 ALA HB1 H 1 1.422 . . 1 . . . . 34 A QB . 19993 1 226 . 1 1 34 34 ALA HB2 H 1 1.422 . . 1 . . . . 34 A QB . 19993 1 227 . 1 1 34 34 ALA HB3 H 1 1.422 . . 1 . . . . 34 A QB . 19993 1 228 . 1 1 34 34 ALA C C 13 178.182 . . 1 . . . . 34 A C . 19993 1 229 . 1 1 34 34 ALA CA C 13 52.996 . . 1 . . . . 34 A CA . 19993 1 230 . 1 1 34 34 ALA N N 15 127.602 . . 1 . . . . 34 A N . 19993 1 231 . 1 1 35 35 GLU H H 1 8.206 . . 1 . . . . 35 E HN . 19993 1 232 . 1 1 35 35 GLU HA H 1 4.234 . . 1 . . . . 35 E HA . 19993 1 233 . 1 1 35 35 GLU HB2 H 1 2.009 . . 1 . . . . 35 E HB2 . 19993 1 234 . 1 1 35 35 GLU C C 13 176.941 . . 1 . . . . 35 E C . 19993 1 235 . 1 1 35 35 GLU CA C 13 56.935 . . 1 . . . . 35 E CA . 19993 1 236 . 1 1 35 35 GLU CB C 13 30.425 . . 1 . . . . 35 E CB . 19993 1 237 . 1 1 35 35 GLU N N 15 120.861 . . 1 . . . . 35 E N . 19993 1 238 . 1 1 36 36 LYS H H 1 8.180 . . 1 . . . . 36 K HN . 19993 1 239 . 1 1 36 36 LYS HA H 1 4.248 . . 1 . . . . 36 K HA . 19993 1 240 . 1 1 36 36 LYS HB3 H 1 2.083 . . 1 . . . . 36 K HB3 . 19993 1 241 . 1 1 36 36 LYS C C 13 176.732 . . 1 . . . . 36 K C . 19993 1 242 . 1 1 36 36 LYS CA C 13 56.457 . . 1 . . . . 36 K CA . 19993 1 243 . 1 1 36 36 LYS CB C 13 29.010 . . 1 . . . . 36 K CB . 19993 1 244 . 1 1 36 36 LYS N N 15 121.516 . . 1 . . . . 36 K N . 19993 1 245 . 1 1 37 37 GLU H H 1 8.179 . . 1 . . . . 37 E HN . 19993 1 246 . 1 1 37 37 GLU HA H 1 4.252 . . 1 . . . . 37 E HA . 19993 1 247 . 1 1 37 37 GLU HB2 H 1 1.821 . . 1 . . . . 37 E HB2 . 19993 1 248 . 1 1 37 37 GLU C C 13 176.732 . . 1 . . . . 37 E C . 19993 1 249 . 1 1 37 37 GLU CA C 13 57.254 . . 1 . . . . 37 E CA . 19993 1 250 . 1 1 37 37 GLU CB C 13 29.787 . . 1 . . . . 37 E CB . 19993 1 251 . 1 1 37 37 GLU N N 15 122.992 . . 1 . . . . 37 E N . 19993 1 252 . 1 1 39 39 LYS H H 1 7.973 . . 1 . . . . 39 K HN . 19993 1 253 . 1 1 39 39 LYS CA C 13 62.400 . . 1 . . . . 39 K CA . 19993 1 254 . 1 1 39 39 LYS CB C 13 32.712 . . 1 . . . . 39 K CB . 19993 1 255 . 1 1 39 39 LYS N N 15 119.537 . . 1 . . . . 39 K N . 19993 1 256 . 1 1 40 40 GLN H H 1 8.239 . . 1 . . . . 40 Q HN . 19993 1 257 . 1 1 40 40 GLN HA H 1 4.216 . . 1 . . . . 40 Q HA . 19993 1 258 . 1 1 40 40 GLN HB3 H 1 2.024 . . 1 . . . . 40 Q HB3 . 19993 1 259 . 1 1 40 40 GLN C C 13 177.032 . . 1 . . . . 40 Q C . 19993 1 260 . 1 1 40 40 GLN CA C 13 56.692 . . 1 . . . . 40 Q CA . 19993 1 261 . 1 1 40 40 GLN CB C 13 30.290 . . 1 . . . . 40 Q CB . 19993 1 262 . 1 1 40 40 GLN N N 15 122.045 . . 1 . . . . 40 Q N . 19993 1 263 . 1 1 41 41 LYS H H 1 8.474 . . 1 . . . . 41 K HN . 19993 1 264 . 1 1 41 41 LYS HA H 1 4.299 . . 1 . . . . 41 K HA . 19993 1 265 . 1 1 41 41 LYS HB3 H 1 1.916 . . 1 . . . . 41 K HB3 . 19993 1 266 . 1 1 41 41 LYS C C 13 176.265 . . 1 . . . . 41 K C . 19993 1 267 . 1 1 41 41 LYS CA C 13 56.423 . . 1 . . . . 41 K CA . 19993 1 268 . 1 1 41 41 LYS N N 15 123.052 . . 1 . . . . 41 K N . 19993 1 269 . 1 1 42 42 GLU H H 1 8.132 . . 1 . . . . 42 E HN . 19993 1 270 . 1 1 42 42 GLU HA H 1 4.264 . . 1 . . . . 42 E HA . 19993 1 271 . 1 1 42 42 GLU HB2 H 1 2.090 . . 1 . . . . 42 E HB2 . 19993 1 272 . 1 1 42 42 GLU C C 13 176.727 . . 1 . . . . 42 E C . 19993 1 273 . 1 1 42 42 GLU CA C 13 56.502 . . 1 . . . . 42 E CA . 19993 1 274 . 1 1 42 42 GLU CB C 13 29.172 . . 1 . . . . 42 E CB . 19993 1 275 . 1 1 42 42 GLU N N 15 121.203 . . 1 . . . . 42 E N . 19993 1 276 . 1 1 44 44 SER H H 1 8.383 . . 1 . . . . 44 S HN . 19993 1 277 . 1 1 44 44 SER HA H 1 4.445 . . 1 . . . . 44 S HA . 19993 1 278 . 1 1 44 44 SER HB2 H 1 3.966 . . 1 . . . . 44 S HB2 . 19993 1 279 . 1 1 44 44 SER HB3 H 1 4.063 . . 1 . . . . 44 S HB3 . 19993 1 280 . 1 1 44 44 SER C C 13 174.491 . . 1 . . . . 44 S C . 19993 1 281 . 1 1 44 44 SER CA C 13 58.025 . . 1 . . . . 44 S CA . 19993 1 282 . 1 1 44 44 SER CB C 13 64.033 . . 1 . . . . 44 S CB . 19993 1 283 . 1 1 44 44 SER N N 15 118.279 . . 1 . . . . 44 S N . 19993 1 284 . 1 1 47 47 GLN H H 1 8.644 . . 1 . . . . 47 Q HN . 19993 1 285 . 1 1 47 47 GLN HA H 1 4.326 . . 1 . . . . 47 Q HA . 19993 1 286 . 1 1 47 47 GLN HB3 H 1 2.051 . . 1 . . . . 47 Q HB3 . 19993 1 287 . 1 1 47 47 GLN C C 13 176.316 . . 1 . . . . 47 Q C . 19993 1 288 . 1 1 47 47 GLN CA C 13 56.746 . . 1 . . . . 47 Q CA . 19993 1 289 . 1 1 47 47 GLN CB C 13 30.227 . . 1 . . . . 47 Q CB . 19993 1 290 . 1 1 47 47 GLN N N 15 122.592 . . 1 . . . . 47 Q N . 19993 1 291 . 1 1 48 48 LEU H H 1 8.122 . . 1 . . . . 48 L HN . 19993 1 292 . 1 1 48 48 LEU HA H 1 4.231 . . 1 . . . . 48 L HA . 19993 1 293 . 1 1 48 48 LEU HB2 H 1 1.712 . . 1 . . . . 48 L HB2 . 19993 1 294 . 1 1 48 48 LEU HB3 H 1 1.606 . . 1 . . . . 48 L HB3 . 19993 1 295 . 1 1 48 48 LEU C C 13 177.105 . . 1 . . . . 48 L C . 19993 1 296 . 1 1 48 48 LEU CA C 13 55.736 . . 1 . . . . 48 L CA . 19993 1 297 . 1 1 48 48 LEU N N 15 122.984 . . 1 . . . . 48 L N . 19993 1 298 . 1 1 49 49 SER H H 1 8.205 . . 1 . . . . 49 S HN . 19993 1 299 . 1 1 49 49 SER HA H 1 4.411 . . 1 . . . . 49 S HA . 19993 1 300 . 1 1 49 49 SER HB3 H 1 3.909 . . 1 . . . . 49 S HB3 . 19993 1 301 . 1 1 49 49 SER C C 13 175.688 . . 1 . . . . 49 S C . 19993 1 302 . 1 1 49 49 SER CA C 13 61.265 . . 1 . . . . 49 S CA . 19993 1 303 . 1 1 49 49 SER CB C 13 63.932 . . 1 . . . . 49 S CB . 19993 1 304 . 1 1 49 49 SER N N 15 116.893 . . 1 . . . . 49 S N . 19993 1 305 . 1 1 50 50 GLN HA H 1 4.332 . . 1 . . . . 50 Q HA . 19993 1 306 . 1 1 50 50 GLN HB2 H 1 2.018 . . 1 . . . . 50 Q HB2 . 19993 1 307 . 1 1 50 50 GLN HB3 H 1 2.150 . . 1 . . . . 50 Q HB3 . 19993 1 308 . 1 1 51 51 ALA H H 1 8.169 . . 1 . . . . 51 A HN . 19993 1 309 . 1 1 51 51 ALA HA H 1 4.350 . . 1 . . . . 51 A HA . 19993 1 310 . 1 1 51 51 ALA HB1 H 1 1.425 . . 1 . . . . 51 A QB . 19993 1 311 . 1 1 51 51 ALA HB2 H 1 1.425 . . 1 . . . . 51 A QB . 19993 1 312 . 1 1 51 51 ALA HB3 H 1 1.425 . . 1 . . . . 51 A QB . 19993 1 313 . 1 1 51 51 ALA C C 13 178.434 . . 1 . . . . 51 A C . 19993 1 314 . 1 1 51 51 ALA CA C 13 53.196 . . 1 . . . . 51 A CA . 19993 1 315 . 1 1 51 51 ALA CB C 13 18.962 . . 1 . . . . 51 A CB . 19993 1 316 . 1 1 51 51 ALA N N 15 125.394 . . 1 . . . . 51 A N . 19993 1 317 . 1 1 52 52 THR H H 1 7.973 . . 1 . . . . 52 T HN . 19993 1 318 . 1 1 52 52 THR HA H 1 4.297 . . 1 . . . . 52 T HA . 19993 1 319 . 1 1 52 52 THR HB H 1 4.231 . . 1 . . . . 52 T HB . 19993 1 320 . 1 1 52 52 THR C C 13 174.641 . . 1 . . . . 52 T C . 19993 1 321 . 1 1 52 52 THR CA C 13 62.155 . . 1 . . . . 52 T CA . 19993 1 322 . 1 1 52 52 THR CB C 13 69.756 . . 1 . . . . 52 T CB . 19993 1 323 . 1 1 52 52 THR N N 15 113.871 . . 1 . . . . 52 T N . 19993 1 324 . 1 1 53 53 ALA H H 1 8.137 . . 1 . . . . 53 A HN . 19993 1 325 . 1 1 53 53 ALA HA H 1 4.291 . . 1 . . . . 53 A HA . 19993 1 326 . 1 1 53 53 ALA HB1 H 1 1.402 . . 1 . . . . 53 A QB . 19993 1 327 . 1 1 53 53 ALA HB2 H 1 1.402 . . 1 . . . . 53 A QB . 19993 1 328 . 1 1 53 53 ALA HB3 H 1 1.402 . . 1 . . . . 53 A QB . 19993 1 329 . 1 1 53 53 ALA CA C 13 52.713 . . 1 . . . . 53 A CA . 19993 1 330 . 1 1 53 53 ALA CB C 13 19.105 . . 1 . . . . 53 A CB . 19993 1 331 . 1 1 53 53 ALA N N 15 127.075 . . 1 . . . . 53 A N . 19993 1 332 . 1 1 54 54 ALA H H 1 8.100 . . 1 . . . . 54 A HN . 19993 1 333 . 1 1 54 54 ALA HA H 1 4.265 . . 1 . . . . 54 A HA . 19993 1 334 . 1 1 54 54 ALA HB1 H 1 1.404 . . 1 . . . . 54 A QB . 19993 1 335 . 1 1 54 54 ALA HB2 H 1 1.404 . . 1 . . . . 54 A QB . 19993 1 336 . 1 1 54 54 ALA HB3 H 1 1.404 . . 1 . . . . 54 A QB . 19993 1 337 . 1 1 54 54 ALA C C 13 177.668 . . 1 . . . . 54 A C . 19993 1 338 . 1 1 54 54 ALA N N 15 123.751 . . 1 . . . . 54 A N . 19993 1 339 . 1 1 55 55 ALA H H 1 8.157 . . 1 . . . . 55 A HN . 19993 1 340 . 1 1 55 55 ALA HA H 1 4.289 . . 1 . . . . 55 A HA . 19993 1 341 . 1 1 55 55 ALA HB1 H 1 1.397 . . 1 . . . . 55 A QB . 19993 1 342 . 1 1 55 55 ALA HB2 H 1 1.397 . . 1 . . . . 55 A QB . 19993 1 343 . 1 1 55 55 ALA HB3 H 1 1.397 . . 1 . . . . 55 A QB . 19993 1 344 . 1 1 55 55 ALA C C 13 177.390 . . 1 . . . . 55 A C . 19993 1 345 . 1 1 55 55 ALA CA C 13 52.580 . . 1 . . . . 55 A CA . 19993 1 346 . 1 1 55 55 ALA CB C 13 19.065 . . 1 . . . . 55 A CB . 19993 1 347 . 1 1 55 55 ALA N N 15 124.008 . . 1 . . . . 55 A N . 19993 1 348 . 1 1 56 56 THR H H 1 7.971 . . 1 . . . . 56 T HN . 19993 1 349 . 1 1 56 56 THR HA H 1 4.362 . . 1 . . . . 56 T HA . 19993 1 350 . 1 1 56 56 THR HB H 1 4.187 . . 1 . . . . 56 T HB . 19993 1 351 . 1 1 56 56 THR C C 13 178.043 . . 1 . . . . 56 T C . 19993 1 352 . 1 1 56 56 THR CA C 13 61.759 . . 1 . . . . 56 T CA . 19993 1 353 . 1 1 56 56 THR CB C 13 69.832 . . 1 . . . . 56 T CB . 19993 1 354 . 1 1 56 56 THR N N 15 113.412 . . 1 . . . . 56 T N . 19993 1 355 . 1 1 57 57 ASN H H 1 7.984 . . 1 . . . . 57 N HN . 19993 1 356 . 1 1 57 57 ASN HA H 1 4.492 . . 1 . . . . 57 N HA . 19993 1 357 . 1 1 57 57 ASN HB2 H 1 2.695 . . 1 . . . . 57 N HB2 . 19993 1 358 . 1 1 57 57 ASN HB3 H 1 2.760 . . 1 . . . . 57 N HB3 . 19993 1 359 . 1 1 57 57 ASN C C 13 179.361 . . 1 . . . . 57 N C . 19993 1 360 . 1 1 57 57 ASN CA C 13 54.815 . . 1 . . . . 57 N CA . 19993 1 361 . 1 1 57 57 ASN CB C 13 40.652 . . 1 . . . . 57 N CB . 19993 1 362 . 1 1 57 57 ASN N N 15 126.630 . . 1 . . . . 57 N N . 19993 1 363 . 1 1 58 58 HIS HA H 1 4.517 . . 1 . . . . 58 H HA . 19993 1 364 . 1 1 58 58 HIS HB2 H 1 3.862 . . 1 . . . . 58 H HB2 . 19993 1 365 . 1 1 58 58 HIS CA C 13 57.985 . . 1 . . . . 58 H CA . 19993 1 366 . 1 1 59 59 THR H H 1 8.268 . . 1 . . . . 59 T HN . 19993 1 367 . 1 1 59 59 THR HA H 1 4.417 . . 1 . . . . 59 T HA . 19993 1 368 . 1 1 59 59 THR HB H 1 4.095 . . 1 . . . . 59 T HB . 19993 1 369 . 1 1 59 59 THR N N 15 113.126 . . 1 . . . . 59 T N . 19993 1 370 . 1 1 60 60 THR H H 1 8.124 . . 1 . . . . 60 T HN . 19993 1 371 . 1 1 60 60 THR HA H 1 4.399 . . 1 . . . . 60 T HA . 19993 1 372 . 1 1 60 60 THR HB H 1 4.257 . . 1 . . . . 60 T HB . 19993 1 373 . 1 1 60 60 THR C C 13 174.290 . . 1 . . . . 60 T C . 19993 1 374 . 1 1 60 60 THR CA C 13 61.877 . . 1 . . . . 60 T CA . 19993 1 375 . 1 1 60 60 THR CB C 13 69.823 . . 1 . . . . 60 T CB . 19993 1 376 . 1 1 60 60 THR N N 15 116.395 . . 1 . . . . 60 T N . 19993 1 377 . 1 1 61 61 ASP H H 1 8.275 . . 1 . . . . 61 D HN . 19993 1 378 . 1 1 61 61 ASP HA H 1 4.632 . . 1 . . . . 61 D HA . 19993 1 379 . 1 1 61 61 ASP HB2 H 1 2.645 . . 1 . . . . 61 D HB2 . 19993 1 380 . 1 1 61 61 ASP HB3 H 1 2.721 . . 1 . . . . 61 D HB3 . 19993 1 381 . 1 1 61 61 ASP C C 13 176.009 . . 1 . . . . 61 D C . 19993 1 382 . 1 1 61 61 ASP CA C 13 54.415 . . 1 . . . . 61 D CA . 19993 1 383 . 1 1 61 61 ASP CB C 13 41.189 . . 1 . . . . 61 D CB . 19993 1 384 . 1 1 61 61 ASP N N 15 123.475 . . 1 . . . . 61 D N . 19993 1 385 . 1 1 62 62 ASN H H 1 8.349 . . 1 . . . . 62 N HN . 19993 1 386 . 1 1 62 62 ASN HA H 1 4.715 . . 1 . . . . 62 N HA . 19993 1 387 . 1 1 62 62 ASN HB2 H 1 2.803 . . 1 . . . . 62 N HB2 . 19993 1 388 . 1 1 62 62 ASN HB3 H 1 2.834 . . 1 . . . . 62 N HB3 . 19993 1 389 . 1 1 62 62 ASN C C 13 175.811 . . 1 . . . . 62 N C . 19993 1 390 . 1 1 62 62 ASN CA C 13 53.361 . . 1 . . . . 62 N CA . 19993 1 391 . 1 1 62 62 ASN CB C 13 38.722 . . 1 . . . . 62 N CB . 19993 1 392 . 1 1 62 62 ASN N N 15 120.127 . . 1 . . . . 62 N N . 19993 1 393 . 1 1 63 63 GLY H H 1 8.348 . . 1 . . . . 63 G HN . 19993 1 394 . 1 1 63 63 GLY HA2 H 1 4.012 . . 1 . . . . 63 G HA1 . 19993 1 395 . 1 1 63 63 GLY HA3 H 1 3.934 . . 1 . . . . 63 G HA2 . 19993 1 396 . 1 1 63 63 GLY CA C 13 45.361 . . 1 . . . . 63 G CA . 19993 1 397 . 1 1 63 63 GLY N N 15 109.924 . . 1 . . . . 63 G N . 19993 1 398 . 1 1 64 64 VAL H H 1 8.029 . . 1 . . . . 64 V HN . 19993 1 399 . 1 1 64 64 VAL HA H 1 4.218 . . 1 . . . . 64 V HA . 19993 1 400 . 1 1 64 64 VAL HB H 1 2.120 . . 1 . . . . 64 V HB . 19993 1 401 . 1 1 64 64 VAL C C 13 176.472 . . 1 . . . . 64 V C . 19993 1 402 . 1 1 64 64 VAL CA C 13 62.025 . . 1 . . . . 64 V CA . 19993 1 403 . 1 1 64 64 VAL CB C 13 32.939 . . 1 . . . . 64 V CB . 19993 1 404 . 1 1 64 64 VAL N N 15 119.408 . . 1 . . . . 64 V N . 19993 1 405 . 1 1 65 65 GLY H H 1 8.346 . . 1 . . . . 65 G HN . 19993 1 406 . 1 1 65 65 GLY HA2 H 1 4.010 . . 1 . . . . 65 G HA2 . 19993 1 407 . 1 1 65 65 GLY CA C 13 44.505 . . 1 . . . . 65 G CA . 19993 1 408 . 1 1 65 65 GLY N N 15 113.668 . . 1 . . . . 65 G N . 19993 1 409 . 1 1 66 66 PRO HA H 1 4.442 . . 1 . . . . 66 P HA . 19993 1 410 . 1 1 66 66 PRO HB3 H 1 2.281 . . 1 . . . . 66 P HB3 . 19993 1 411 . 1 1 67 67 GLU H H 1 8.530 . . 1 . . . . 67 E HN . 19993 1 412 . 1 1 67 67 GLU HA H 1 4.263 . . 1 . . . . 67 E HA . 19993 1 413 . 1 1 67 67 GLU HB2 H 1 2.055 . . 1 . . . . 67 E HB2 . 19993 1 414 . 1 1 67 67 GLU C C 13 176.620 . . 1 . . . . 67 E C . 19993 1 415 . 1 1 67 67 GLU CA C 13 56.748 . . 1 . . . . 67 E CA . 19993 1 416 . 1 1 67 67 GLU CB C 13 29.932 . . 1 . . . . 67 E CB . 19993 1 417 . 1 1 67 67 GLU N N 15 121.678 . . 1 . . . . 67 E N . 19993 1 418 . 1 1 68 68 GLU H H 1 8.253 . . 1 . . . . 68 E HN . 19993 1 419 . 1 1 68 68 GLU HA H 1 4.218 . . 1 . . . . 68 E HA . 19993 1 420 . 1 1 68 68 GLU HB2 H 1 2.042 . . 1 . . . . 68 E HB2 . 19993 1 421 . 1 1 68 68 GLU HB3 H 1 2.073 . . 1 . . . . 68 E HB3 . 19993 1 422 . 1 1 68 68 GLU C C 13 175.906 . . 1 . . . . 68 E C . 19993 1 423 . 1 1 68 68 GLU CA C 13 56.504 . . 1 . . . . 68 E CA . 19993 1 424 . 1 1 68 68 GLU N N 15 122.360 . . 1 . . . . 68 E N . 19993 1 425 . 1 1 69 69 GLU H H 1 8.171 . . 1 . . . . 69 E HN . 19993 1 426 . 1 1 69 69 GLU HA H 1 4.285 . . 1 . . . . 69 E HA . 19993 1 427 . 1 1 69 69 GLU HB2 H 1 1.851 . . 1 . . . . 69 E HB2 . 19993 1 428 . 1 1 69 69 GLU C C 13 176.732 . . 1 . . . . 69 E C . 19993 1 429 . 1 1 69 69 GLU CA C 13 56.524 . . 1 . . . . 69 E CA . 19993 1 430 . 1 1 69 69 GLU CB C 13 32.840 . . 1 . . . . 69 E CB . 19993 1 431 . 1 1 69 69 GLU N N 15 123.214 . . 1 . . . . 69 E N . 19993 1 432 . 1 1 70 70 SER H H 1 8.339 . . 1 . . . . 70 S HN . 19993 1 433 . 1 1 70 70 SER HA H 1 4.521 . . 1 . . . . 70 S HA . 19993 1 434 . 1 1 70 70 SER HB3 H 1 3.863 . . 1 . . . . 70 S HB3 . 19993 1 435 . 1 1 70 70 SER C C 13 174.485 . . 1 . . . . 70 S C . 19993 1 436 . 1 1 70 70 SER CA C 13 58.081 . . 1 . . . . 70 S CA . 19993 1 437 . 1 1 70 70 SER CB C 13 63.912 . . 1 . . . . 70 S CB . 19993 1 438 . 1 1 70 70 SER N N 15 118.567 . . 1 . . . . 70 S N . 19993 1 439 . 1 1 71 71 VAL H H 1 8.192 . . 1 . . . . 71 V HN . 19993 1 440 . 1 1 71 71 VAL HA H 1 4.239 . . 1 . . . . 71 V HA . 19993 1 441 . 1 1 71 71 VAL HB H 1 2.162 . . 1 . . . . 71 V HB . 19993 1 442 . 1 1 71 71 VAL C C 13 175.073 . . 1 . . . . 71 V C . 19993 1 443 . 1 1 71 71 VAL CA C 13 61.946 . . 1 . . . . 71 V CA . 19993 1 444 . 1 1 71 71 VAL CB C 13 32.965 . . 1 . . . . 71 V CB . 19993 1 445 . 1 1 71 71 VAL N N 15 122.380 . . 1 . . . . 71 V N . 19993 1 446 . 1 1 72 72 ASP H H 1 7.876 . . 1 . . . . 72 D HN . 19993 1 447 . 1 1 72 72 ASP HA H 1 4.392 . . 1 . . . . 72 D HA . 19993 1 448 . 1 1 72 72 ASP HB2 H 1 2.540 . . 1 . . . . 72 D HB2 . 19993 1 449 . 1 1 72 72 ASP HB3 H 1 2.666 . . 1 . . . . 72 D HB3 . 19993 1 450 . 1 1 72 72 ASP C C 13 180.853 . . 1 . . . . 72 D C . 19993 1 451 . 1 1 72 72 ASP CA C 13 55.886 . . 1 . . . . 72 D CA . 19993 1 452 . 1 1 72 72 ASP CB C 13 42.320 . . 1 . . . . 72 D CB . 19993 1 453 . 1 1 72 72 ASP N N 15 129.427 . . 1 . . . . 72 D N . 19993 1 stop_ save_