################################### # 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 19188 _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' . . . 19188 1 2 '3D CBCA(CO)NH' . . . 19188 1 3 '3D HNCACB' . . . 19188 1 4 '3D HNCO' . . . 19188 1 5 '3D HBHA(CO)NH' . . . 19188 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 2 2 ARG HA H 1 4.186 0.02 . 1 . . . . -2 R HA . 19188 1 2 . 1 1 2 2 ARG C C 13 176.659 0.3 . 1 . . . . -2 R C . 19188 1 3 . 1 1 2 2 ARG CA C 13 56.476 0.3 . 1 . . . . -2 R CA . 19188 1 4 . 1 1 2 2 ARG CB C 13 30.701 0.3 . 1 . . . . -2 R CB . 19188 1 5 . 1 1 3 3 GLY H H 1 8.418 0.02 . 1 . . . . -1 G H . 19188 1 6 . 1 1 3 3 GLY HA2 H 1 3.813 0.02 . 2 . . . . -1 G HA* . 19188 1 7 . 1 1 3 3 GLY HA3 H 1 3.813 0.02 . 2 . . . . -1 G HA* . 19188 1 8 . 1 1 3 3 GLY C C 13 173.959 0.3 . 1 . . . . -1 G C . 19188 1 9 . 1 1 3 3 GLY CA C 13 45.171 0.3 . 1 . . . . -1 G CA . 19188 1 10 . 1 1 3 3 GLY N N 15 109.743 0.2 . 1 . . . . -1 G N . 19188 1 11 . 1 1 4 4 SER H H 1 8.077 0.02 . 1 . . . . 0 S H . 19188 1 12 . 1 1 4 4 SER HA H 1 4.264 0.02 . 1 . . . . 0 S HA . 19188 1 13 . 1 1 4 4 SER C C 13 174.384 0.3 . 1 . . . . 0 S C . 19188 1 14 . 1 1 4 4 SER CA C 13 58.512 0.3 . 1 . . . . 0 S CA . 19188 1 15 . 1 1 4 4 SER CB C 13 64.096 0.3 . 1 . . . . 0 S CB . 19188 1 16 . 1 1 4 4 SER N N 15 114.069 0.2 . 1 . . . . 0 S N . 19188 1 17 . 1 1 5 5 MET H H 1 8.326 0.02 . 1 . . . . 1 M H . 19188 1 18 . 1 1 5 5 MET HA H 1 4.323 0.02 . 1 . . . . 1 M HA . 19188 1 19 . 1 1 5 5 MET C C 13 175.742 0.3 . 1 . . . . 1 M C . 19188 1 20 . 1 1 5 5 MET CA C 13 55.235 0.3 . 1 . . . . 1 M CA . 19188 1 21 . 1 1 5 5 MET CB C 13 33.024 0.3 . 1 . . . . 1 M CB . 19188 1 22 . 1 1 5 5 MET N N 15 120.916 0.2 . 1 . . . . 1 M N . 19188 1 23 . 1 1 6 6 SER H H 1 8.016 0.02 . 1 . . . . 2 S H . 19188 1 24 . 1 1 6 6 SER HA H 1 4.513 0.02 . 1 . . . . 2 S HA . 19188 1 25 . 1 1 6 6 SER C C 13 175.21 0.3 . 1 . . . . 2 S C . 19188 1 26 . 1 1 6 6 SER CA C 13 57.459 0.3 . 1 . . . . 2 S CA . 19188 1 27 . 1 1 6 6 SER CB C 13 64.232 0.3 . 1 . . . . 2 S CB . 19188 1 28 . 1 1 6 6 SER N N 15 115.362 0.2 . 1 . . . . 2 S N . 19188 1 29 . 1 1 7 7 PHE H H 1 9.439 0.02 . 1 . . . . 3 F H . 19188 1 30 . 1 1 7 7 PHE HA H 1 4.137 0.02 . 1 . . . . 3 F HA . 19188 1 31 . 1 1 7 7 PHE C C 13 177.957 0.3 . 1 . . . . 3 F C . 19188 1 32 . 1 1 7 7 PHE CA C 13 60.062 0.3 . 1 . . . . 3 F CA . 19188 1 33 . 1 1 7 7 PHE CB C 13 40.768 0.3 . 1 . . . . 3 F CB . 19188 1 34 . 1 1 7 7 PHE N N 15 120.901 0.2 . 1 . . . . 3 F N . 19188 1 35 . 1 1 8 8 SER H H 1 8.269 0.02 . 1 . . . . 4 S H . 19188 1 36 . 1 1 8 8 SER HA H 1 4.253 0.02 . 1 . . . . 4 S HA . 19188 1 37 . 1 1 8 8 SER C C 13 174.32 0.3 . 1 . . . . 4 S C . 19188 1 38 . 1 1 8 8 SER CA C 13 60.223 0.3 . 1 . . . . 4 S CA . 19188 1 39 . 1 1 8 8 SER CB C 13 63.911 0.3 . 1 . . . . 4 S CB . 19188 1 40 . 1 1 8 8 SER N N 15 115.674 0.2 . 1 . . . . 4 S N . 19188 1 41 . 1 1 9 9 GLY H H 1 8.959 0.02 . 1 . . . . 5 G H . 19188 1 42 . 1 1 9 9 GLY HA2 H 1 3.697 0.02 . 2 . . . . 5 G HA* . 19188 1 43 . 1 1 9 9 GLY HA3 H 1 3.697 0.02 . 2 . . . . 5 G HA* . 19188 1 44 . 1 1 9 9 GLY C C 13 170.36 0.3 . 1 . . . . 5 G C . 19188 1 45 . 1 1 9 9 GLY CA C 13 45.051 0.3 . 1 . . . . 5 G CA . 19188 1 46 . 1 1 9 9 GLY N N 15 109.669 0.2 . 1 . . . . 5 G N . 19188 1 47 . 1 1 10 10 LYS H H 1 8.007 0.02 . 1 . . . . 6 K H . 19188 1 48 . 1 1 10 10 LYS HA H 1 4.918 0.02 . 1 . . . . 6 K HA . 19188 1 49 . 1 1 10 10 LYS C C 13 174.796 0.3 . 1 . . . . 6 K C . 19188 1 50 . 1 1 10 10 LYS CA C 13 55.424 0.3 . 1 . . . . 6 K CA . 19188 1 51 . 1 1 10 10 LYS CB C 13 35.062 0.3 . 1 . . . . 6 K CB . 19188 1 52 . 1 1 10 10 LYS N N 15 117.933 0.2 . 1 . . . . 6 K N . 19188 1 53 . 1 1 11 11 TYR H H 1 9.276 0.02 . 1 . . . . 7 Y H . 19188 1 54 . 1 1 11 11 TYR HA H 1 4.945 0.02 . 1 . . . . 7 Y HA . 19188 1 55 . 1 1 11 11 TYR C C 13 174.545 0.3 . 1 . . . . 7 Y C . 19188 1 56 . 1 1 11 11 TYR CA C 13 56.619 0.3 . 1 . . . . 7 Y CA . 19188 1 57 . 1 1 11 11 TYR CB C 13 41.263 0.3 . 1 . . . . 7 Y CB . 19188 1 58 . 1 1 11 11 TYR N N 15 119.418 0.2 . 1 . . . . 7 Y N . 19188 1 59 . 1 1 12 12 GLN H H 1 8.896 0.02 . 1 . . . . 8 Q H . 19188 1 60 . 1 1 12 12 GLN HA H 1 4.792 0.02 . 1 . . . . 8 Q HA . 19188 1 61 . 1 1 12 12 GLN C C 13 176.17 0.3 . 1 . . . . 8 Q C . 19188 1 62 . 1 1 12 12 GLN CA C 13 53.868 0.3 . 1 . . . . 8 Q CA . 19188 1 63 . 1 1 12 12 GLN CB C 13 31.054 0.3 . 1 . . . . 8 Q CB . 19188 1 64 . 1 1 12 12 GLN N N 15 122.364 0.2 . 1 . . . . 8 Q N . 19188 1 65 . 1 1 13 13 LEU H H 1 8.596 0.02 . 1 . . . . 9 L H . 19188 1 66 . 1 1 13 13 LEU HA H 1 4.426 0.02 . 1 . . . . 9 L HA . 19188 1 67 . 1 1 13 13 LEU C C 13 176.075 0.3 . 1 . . . . 9 L C . 19188 1 68 . 1 1 13 13 LEU CA C 13 57.016 0.3 . 1 . . . . 9 L CA . 19188 1 69 . 1 1 13 13 LEU CB C 13 42.698 0.3 . 1 . . . . 9 L CB . 19188 1 70 . 1 1 13 13 LEU N N 15 133.011 0.2 . 1 . . . . 9 L N . 19188 1 71 . 1 1 14 14 GLN H H 1 9.968 0.02 . 1 . . . . 10 Q H . 19188 1 72 . 1 1 14 14 GLN HA H 1 4.313 0.02 . 1 . . . . 10 Q HA . 19188 1 73 . 1 1 14 14 GLN C C 13 176.136 0.3 . 1 . . . . 10 Q C . 19188 1 74 . 1 1 14 14 GLN CA C 13 56.447 0.3 . 1 . . . . 10 Q CA . 19188 1 75 . 1 1 14 14 GLN CB C 13 31.374 0.3 . 1 . . . . 10 Q CB . 19188 1 76 . 1 1 14 14 GLN N N 15 124.521 0.2 . 1 . . . . 10 Q N . 19188 1 77 . 1 1 15 15 SER H H 1 7.886 0.02 . 1 . . . . 11 S H . 19188 1 78 . 1 1 15 15 SER HA H 1 4.484 0.02 . 1 . . . . 11 S HA . 19188 1 79 . 1 1 15 15 SER C C 13 171.538 0.3 . 1 . . . . 11 S C . 19188 1 80 . 1 1 15 15 SER CA C 13 57.608 0.3 . 1 . . . . 11 S CA . 19188 1 81 . 1 1 15 15 SER CB C 13 64.964 0.3 . 1 . . . . 11 S CB . 19188 1 82 . 1 1 15 15 SER N N 15 109.329 0.2 . 1 . . . . 11 S N . 19188 1 83 . 1 1 16 16 GLN H H 1 8.438 0.02 . 1 . . . . 12 Q H . 19188 1 84 . 1 1 16 16 GLN HA H 1 5.388 0.02 . 1 . . . . 12 Q HA . 19188 1 85 . 1 1 16 16 GLN C C 13 174.445 0.3 . 1 . . . . 12 Q C . 19188 1 86 . 1 1 16 16 GLN CA C 13 54.811 0.3 . 1 . . . . 12 Q CA . 19188 1 87 . 1 1 16 16 GLN CB C 13 33.493 0.3 . 1 . . . . 12 Q CB . 19188 1 88 . 1 1 16 16 GLN N N 15 115.464 0.2 . 1 . . . . 12 Q N . 19188 1 89 . 1 1 17 17 GLU H H 1 9.081 0.02 . 1 . . . . 13 E H . 19188 1 90 . 1 1 17 17 GLU HA H 1 4.684 0.02 . 1 . . . . 13 E HA . 19188 1 91 . 1 1 17 17 GLU C C 13 175.908 0.3 . 1 . . . . 13 E C . 19188 1 92 . 1 1 17 17 GLU CA C 13 54.934 0.3 . 1 . . . . 13 E CA . 19188 1 93 . 1 1 17 17 GLU CB C 13 33.824 0.3 . 1 . . . . 13 E CB . 19188 1 94 . 1 1 17 17 GLU N N 15 120.645 0.2 . 1 . . . . 13 E N . 19188 1 95 . 1 1 18 18 ASN H H 1 9.172 0.02 . 1 . . . . 14 N H . 19188 1 96 . 1 1 18 18 ASN HA H 1 4.872 0.02 . 1 . . . . 14 N HA . 19188 1 97 . 1 1 18 18 ASN C C 13 174.39 0.3 . 1 . . . . 14 N C . 19188 1 98 . 1 1 18 18 ASN CA C 13 54.831 0.3 . 1 . . . . 14 N CA . 19188 1 99 . 1 1 18 18 ASN CB C 13 36.052 0.3 . 1 . . . . 14 N CB . 19188 1 100 . 1 1 18 18 ASN N N 15 114.739 0.2 . 1 . . . . 14 N N . 19188 1 101 . 1 1 19 19 PHE H H 1 8.388 0.02 . 1 . . . . 15 F H . 19188 1 102 . 1 1 19 19 PHE HA H 1 3.274 0.02 . 1 . . . . 15 F HA . 19188 1 103 . 1 1 19 19 PHE C C 13 176.602 0.3 . 1 . . . . 15 F C . 19188 1 104 . 1 1 19 19 PHE CA C 13 62.468 0.3 . 1 . . . . 15 F CA . 19188 1 105 . 1 1 19 19 PHE CB C 13 40.053 0.3 . 1 . . . . 15 F CB . 19188 1 106 . 1 1 19 19 PHE N N 15 116.738 0.2 . 1 . . . . 15 F N . 19188 1 107 . 1 1 20 20 GLU H H 1 9.399 0.02 . 1 . . . . 16 E H . 19188 1 108 . 1 1 20 20 GLU HA H 1 3.409 0.02 . 1 . . . . 16 E HA . 19188 1 109 . 1 1 20 20 GLU C C 13 178.144 0.3 . 1 . . . . 16 E C . 19188 1 110 . 1 1 20 20 GLU CA C 13 61.167 0.3 . 1 . . . . 16 E CA . 19188 1 111 . 1 1 20 20 GLU CB C 13 29.148 0.3 . 1 . . . . 16 E CB . 19188 1 112 . 1 1 20 20 GLU N N 15 116.699 0.2 . 1 . . . . 16 E N . 19188 1 113 . 1 1 21 21 ALA H H 1 8.154 0.02 . 1 . . . . 17 A H . 19188 1 114 . 1 1 21 21 ALA HA H 1 3.773 0.02 . 1 . . . . 17 A HA . 19188 1 115 . 1 1 21 21 ALA C C 13 180.629 0.3 . 1 . . . . 17 A C . 19188 1 116 . 1 1 21 21 ALA CA C 13 54.917 0.3 . 1 . . . . 17 A CA . 19188 1 117 . 1 1 21 21 ALA CB C 13 18.504 0.3 . 1 . . . . 17 A CB . 19188 1 118 . 1 1 21 21 ALA N N 15 118.351 0.2 . 1 . . . . 17 A N . 19188 1 119 . 1 1 22 22 PHE H H 1 7.721 0.02 . 1 . . . . 18 F H . 19188 1 120 . 1 1 22 22 PHE HA H 1 3.618 0.02 . 1 . . . . 18 F HA . 19188 1 121 . 1 1 22 22 PHE C C 13 175.854 0.3 . 1 . . . . 18 F C . 19188 1 122 . 1 1 22 22 PHE CA C 13 62.242 0.3 . 1 . . . . 18 F CA . 19188 1 123 . 1 1 22 22 PHE CB C 13 40.106 0.3 . 1 . . . . 18 F CB . 19188 1 124 . 1 1 22 22 PHE N N 15 116.619 0.2 . 1 . . . . 18 F N . 19188 1 125 . 1 1 23 23 MET H H 1 8.093 0.02 . 1 . . . . 19 M H . 19188 1 126 . 1 1 23 23 MET HA H 1 3.876 0.02 . 1 . . . . 19 M HA . 19188 1 127 . 1 1 23 23 MET C C 13 178.84 0.3 . 1 . . . . 19 M C . 19188 1 128 . 1 1 23 23 MET CA C 13 55.905 0.3 . 1 . . . . 19 M CA . 19188 1 129 . 1 1 23 23 MET CB C 13 30.949 0.3 . 1 . . . . 19 M CB . 19188 1 130 . 1 1 23 23 MET N N 15 112.847 0.2 . 1 . . . . 19 M N . 19188 1 131 . 1 1 24 24 LYS H H 1 8.056 0.02 . 1 . . . . 20 K H . 19188 1 132 . 1 1 24 24 LYS HA H 1 3.745 0.02 . 1 . . . . 20 K HA . 19188 1 133 . 1 1 24 24 LYS C C 13 180.087 0.3 . 1 . . . . 20 K C . 19188 1 134 . 1 1 24 24 LYS CA C 13 59.191 0.3 . 1 . . . . 20 K CA . 19188 1 135 . 1 1 24 24 LYS CB C 13 32.313 0.3 . 1 . . . . 20 K CB . 19188 1 136 . 1 1 24 24 LYS N N 15 118.341 0.2 . 1 . . . . 20 K N . 19188 1 137 . 1 1 25 25 ALA H H 1 7.234 0.02 . 1 . . . . 21 A H . 19188 1 138 . 1 1 25 25 ALA HA H 1 3.81 0.02 . 1 . . . . 21 A HA . 19188 1 139 . 1 1 25 25 ALA C C 13 179.84 0.3 . 1 . . . . 21 A C . 19188 1 140 . 1 1 25 25 ALA CA C 13 54.837 0.3 . 1 . . . . 21 A CA . 19188 1 141 . 1 1 25 25 ALA CB C 13 18.289 0.3 . 1 . . . . 21 A CB . 19188 1 142 . 1 1 25 25 ALA N N 15 121.121 0.2 . 1 . . . . 21 A N . 19188 1 143 . 1 1 26 26 ILE H H 1 7.141 0.02 . 1 . . . . 22 I H . 19188 1 144 . 1 1 26 26 ILE HA H 1 4.001 0.02 . 1 . . . . 22 I HA . 19188 1 145 . 1 1 26 26 ILE C C 13 176.128 0.3 . 1 . . . . 22 I C . 19188 1 146 . 1 1 26 26 ILE CA C 13 61.002 0.3 . 1 . . . . 22 I CA . 19188 1 147 . 1 1 26 26 ILE CB C 13 38.04 0.3 . 1 . . . . 22 I CB . 19188 1 148 . 1 1 26 26 ILE N N 15 108.402 0.2 . 1 . . . . 22 I N . 19188 1 149 . 1 1 27 27 GLY H H 1 7.226 0.02 . 1 . . . . 23 G H . 19188 1 150 . 1 1 27 27 GLY HA2 H 1 3.905 0.02 . 2 . . . . 23 G HA2 . 19188 1 151 . 1 1 27 27 GLY HA3 H 1 3.475 0.02 . 2 . . . . 23 G HA3 . 19188 1 152 . 1 1 27 27 GLY C C 13 175.288 0.3 . 1 . . . . 23 G C . 19188 1 153 . 1 1 27 27 GLY CA C 13 45.693 0.3 . 1 . . . . 23 G CA . 19188 1 154 . 1 1 27 27 GLY N N 15 106.851 0.2 . 1 . . . . 23 G N . 19188 1 155 . 1 1 28 28 LEU H H 1 7.777 0.02 . 1 . . . . 24 L H . 19188 1 156 . 1 1 28 28 LEU CA C 13 53.673 0.3 . 1 . . . . 24 L CA . 19188 1 157 . 1 1 28 28 LEU CB C 13 42.728 0.3 . 1 . . . . 24 L CB . 19188 1 158 . 1 1 28 28 LEU N N 15 123.703 0.2 . 1 . . . . 24 L N . 19188 1 159 . 1 1 29 29 PRO HA H 1 4.152 0.02 . 1 . . . . 25 P HA . 19188 1 160 . 1 1 29 29 PRO C C 13 177.809 0.3 . 1 . . . . 25 P C . 19188 1 161 . 1 1 29 29 PRO CA C 13 63.412 0.3 . 1 . . . . 25 P CA . 19188 1 162 . 1 1 29 29 PRO CB C 13 32.725 0.3 . 1 . . . . 25 P CB . 19188 1 163 . 1 1 30 30 GLU H H 1 8.626 0.02 . 1 . . . . 26 E H . 19188 1 164 . 1 1 30 30 GLU HA H 1 3.668 0.02 . 1 . . . . 26 E HA . 19188 1 165 . 1 1 30 30 GLU C C 13 178.224 0.3 . 1 . . . . 26 E C . 19188 1 166 . 1 1 30 30 GLU CA C 13 59.927 0.3 . 1 . . . . 26 E CA . 19188 1 167 . 1 1 30 30 GLU CB C 13 29.42 0.3 . 1 . . . . 26 E CB . 19188 1 168 . 1 1 30 30 GLU N N 15 123.715 0.2 . 1 . . . . 26 E N . 19188 1 169 . 1 1 31 31 GLU H H 1 9.178 0.02 . 1 . . . . 27 E H . 19188 1 170 . 1 1 31 31 GLU HA H 1 3.911 0.02 . 1 . . . . 27 E HA . 19188 1 171 . 1 1 31 31 GLU C C 13 179.018 0.3 . 1 . . . . 27 E C . 19188 1 172 . 1 1 31 31 GLU CA C 13 59.714 0.3 . 1 . . . . 27 E CA . 19188 1 173 . 1 1 31 31 GLU CB C 13 29.137 0.3 . 1 . . . . 27 E CB . 19188 1 174 . 1 1 31 31 GLU N N 15 116.025 0.2 . 1 . . . . 27 E N . 19188 1 175 . 1 1 32 32 LEU H H 1 7.013 0.02 . 1 . . . . 28 L H . 19188 1 176 . 1 1 32 32 LEU HA H 1 4.029 0.02 . 1 . . . . 28 L HA . 19188 1 177 . 1 1 32 32 LEU C C 13 179.184 0.3 . 1 . . . . 28 L C . 19188 1 178 . 1 1 32 32 LEU CA C 13 57.141 0.3 . 1 . . . . 28 L CA . 19188 1 179 . 1 1 32 32 LEU CB C 13 41.498 0.3 . 1 . . . . 28 L CB . 19188 1 180 . 1 1 32 32 LEU N N 15 116.045 0.2 . 1 . . . . 28 L N . 19188 1 181 . 1 1 33 33 ILE H H 1 7.633 0.02 . 1 . . . . 29 I H . 19188 1 182 . 1 1 33 33 ILE HA H 1 3.368 0.02 . 1 . . . . 29 I HA . 19188 1 183 . 1 1 33 33 ILE C C 13 178.051 0.3 . 1 . . . . 29 I C . 19188 1 184 . 1 1 33 33 ILE CA C 13 66.488 0.3 . 1 . . . . 29 I CA . 19188 1 185 . 1 1 33 33 ILE CB C 13 37.783 0.3 . 1 . . . . 29 I CB . 19188 1 186 . 1 1 33 33 ILE N N 15 119.466 0.2 . 1 . . . . 29 I N . 19188 1 187 . 1 1 34 34 GLN H H 1 8.018 0.02 . 1 . . . . 30 Q H . 19188 1 188 . 1 1 34 34 GLN HA H 1 3.719 0.02 . 1 . . . . 30 Q HA . 19188 1 189 . 1 1 34 34 GLN C C 13 178.583 0.3 . 1 . . . . 30 Q C . 19188 1 190 . 1 1 34 34 GLN CA C 13 58.502 0.3 . 1 . . . . 30 Q CA . 19188 1 191 . 1 1 34 34 GLN CB C 13 27.894 0.3 . 1 . . . . 30 Q CB . 19188 1 192 . 1 1 34 34 GLN N N 15 114.212 0.2 . 1 . . . . 30 Q N . 19188 1 193 . 1 1 35 35 LYS H H 1 7.368 0.02 . 1 . . . . 31 K H . 19188 1 194 . 1 1 35 35 LYS HA H 1 4.006 0.02 . 1 . . . . 31 K HA . 19188 1 195 . 1 1 35 35 LYS C C 13 179.245 0.3 . 1 . . . . 31 K C . 19188 1 196 . 1 1 35 35 LYS CA C 13 58.511 0.3 . 1 . . . . 31 K CA . 19188 1 197 . 1 1 35 35 LYS CB C 13 33.814 0.3 . 1 . . . . 31 K CB . 19188 1 198 . 1 1 35 35 LYS N N 15 114.26 0.2 . 1 . . . . 31 K N . 19188 1 199 . 1 1 36 36 GLY H H 1 8.267 0.02 . 1 . . . . 32 G H . 19188 1 200 . 1 1 36 36 GLY HA2 H 1 3.344 0.02 . 2 . . . . 32 G HA2 . 19188 1 201 . 1 1 36 36 GLY HA3 H 1 3.781 0.02 . 2 . . . . 32 G HA3 . 19188 1 202 . 1 1 36 36 GLY C C 13 175.563 0.3 . 1 . . . . 32 G C . 19188 1 203 . 1 1 36 36 GLY CA C 13 46.562 0.3 . 1 . . . . 32 G CA . 19188 1 204 . 1 1 36 36 GLY N N 15 103.952 0.2 . 1 . . . . 32 G N . 19188 1 205 . 1 1 37 37 LYS H H 1 7.508 0.02 . 1 . . . . 33 K H . 19188 1 206 . 1 1 37 37 LYS C C 13 176.11 0.3 . 1 . . . . 33 K C . 19188 1 207 . 1 1 37 37 LYS CA C 13 59.021 0.3 . 1 . . . . 33 K CA . 19188 1 208 . 1 1 37 37 LYS CB C 13 31.624 0.3 . 1 . . . . 33 K CB . 19188 1 209 . 1 1 37 37 LYS N N 15 117.65 0.2 . 1 . . . . 33 K N . 19188 1 210 . 1 1 38 38 ASP H H 1 7.454 0.02 . 1 . . . . 34 D H . 19188 1 211 . 1 1 38 38 ASP HA H 1 4.694 0.02 . 1 . . . . 34 D HA . 19188 1 212 . 1 1 38 38 ASP C C 13 175.892 0.3 . 1 . . . . 34 D C . 19188 1 213 . 1 1 38 38 ASP CA C 13 54.276 0.3 . 1 . . . . 34 D CA . 19188 1 214 . 1 1 38 38 ASP CB C 13 41.836 0.3 . 1 . . . . 34 D CB . 19188 1 215 . 1 1 38 38 ASP N N 15 116.084 0.2 . 1 . . . . 34 D N . 19188 1 216 . 1 1 39 39 ILE H H 1 6.797 0.02 . 1 . . . . 35 I H . 19188 1 217 . 1 1 39 39 ILE C C 13 176.72 0.3 . 1 . . . . 35 I C . 19188 1 218 . 1 1 39 39 ILE CA C 13 62.078 0.3 . 1 . . . . 35 I CA . 19188 1 219 . 1 1 39 39 ILE CB C 13 38.625 0.3 . 1 . . . . 35 I CB . 19188 1 220 . 1 1 39 39 ILE N N 15 118.932 0.2 . 1 . . . . 35 I N . 19188 1 221 . 1 1 40 40 LYS H H 1 8.804 0.02 . 1 . . . . 36 K H . 19188 1 222 . 1 1 40 40 LYS HA H 1 4.426 0.02 . 1 . . . . 36 K HA . 19188 1 223 . 1 1 40 40 LYS C C 13 175.346 0.3 . 1 . . . . 36 K C . 19188 1 224 . 1 1 40 40 LYS CA C 13 55.115 0.3 . 1 . . . . 36 K CA . 19188 1 225 . 1 1 40 40 LYS CB C 13 31.353 0.3 . 1 . . . . 36 K CB . 19188 1 226 . 1 1 40 40 LYS N N 15 129.009 0.2 . 1 . . . . 36 K N . 19188 1 227 . 1 1 41 41 GLY H H 1 7.113 0.02 . 1 . . . . 37 G H . 19188 1 228 . 1 1 41 41 GLY HA2 H 1 3.95 0.02 . 2 . . . . 37 G HA2 . 19188 1 229 . 1 1 41 41 GLY HA3 H 1 4.322 0.02 . 2 . . . . 37 G HA3 . 19188 1 230 . 1 1 41 41 GLY C C 13 171.801 0.3 . 1 . . . . 37 G C . 19188 1 231 . 1 1 41 41 GLY CA C 13 44.997 0.3 . 1 . . . . 37 G CA . 19188 1 232 . 1 1 41 41 GLY N N 15 111.022 0.2 . 1 . . . . 37 G N . 19188 1 233 . 1 1 42 42 VAL H H 1 7.389 0.02 . 1 . . . . 38 V H . 19188 1 234 . 1 1 42 42 VAL HA H 1 4.945 0.02 . 1 . . . . 38 V HA . 19188 1 235 . 1 1 42 42 VAL C C 13 176.15 0.3 . 1 . . . . 38 V C . 19188 1 236 . 1 1 42 42 VAL CA C 13 60.518 0.3 . 1 . . . . 38 V CA . 19188 1 237 . 1 1 42 42 VAL CB C 13 35.878 0.3 . 1 . . . . 38 V CB . 19188 1 238 . 1 1 42 42 VAL N N 15 115.323 0.2 . 1 . . . . 38 V N . 19188 1 239 . 1 1 43 43 SER H H 1 8.893 0.02 . 1 . . . . 39 S H . 19188 1 240 . 1 1 43 43 SER HA H 1 5.502 0.02 . 1 . . . . 39 S HA . 19188 1 241 . 1 1 43 43 SER C C 13 172.761 0.3 . 1 . . . . 39 S C . 19188 1 242 . 1 1 43 43 SER CA C 13 56.728 0.3 . 1 . . . . 39 S CA . 19188 1 243 . 1 1 43 43 SER CB C 13 65.762 0.3 . 1 . . . . 39 S CB . 19188 1 244 . 1 1 43 43 SER N N 15 122.351 0.2 . 1 . . . . 39 S N . 19188 1 245 . 1 1 44 44 GLU H H 1 9.378 0.02 . 1 . . . . 40 E H . 19188 1 246 . 1 1 44 44 GLU HA H 1 5.339 0.02 . 1 . . . . 40 E HA . 19188 1 247 . 1 1 44 44 GLU C C 13 175.176 0.3 . 1 . . . . 40 E C . 19188 1 248 . 1 1 44 44 GLU CA C 13 54.734 0.3 . 1 . . . . 40 E CA . 19188 1 249 . 1 1 44 44 GLU CB C 13 33.109 0.3 . 1 . . . . 40 E CB . 19188 1 250 . 1 1 44 44 GLU N N 15 123.867 0.2 . 1 . . . . 40 E N . 19188 1 251 . 1 1 45 45 ILE H H 1 9.384 0.02 . 1 . . . . 41 I H . 19188 1 252 . 1 1 45 45 ILE HA H 1 4.281 0.02 . 1 . . . . 41 I HA . 19188 1 253 . 1 1 45 45 ILE C C 13 175.773 0.3 . 1 . . . . 41 I C . 19188 1 254 . 1 1 45 45 ILE CA C 13 60.55 0.3 . 1 . . . . 41 I CA . 19188 1 255 . 1 1 45 45 ILE CB C 13 40.891 0.3 . 1 . . . . 41 I CB . 19188 1 256 . 1 1 45 45 ILE N N 15 123.851 0.2 . 1 . . . . 41 I N . 19188 1 257 . 1 1 46 46 VAL H H 1 9.053 0.02 . 1 . . . . 42 V H . 19188 1 258 . 1 1 46 46 VAL HA H 1 3.999 0.02 . 1 . . . . 42 V HA . 19188 1 259 . 1 1 46 46 VAL C C 13 174.147 0.3 . 1 . . . . 42 V C . 19188 1 260 . 1 1 46 46 VAL CA C 13 62.533 0.3 . 1 . . . . 42 V CA . 19188 1 261 . 1 1 46 46 VAL CB C 13 33.763 0.3 . 1 . . . . 42 V CB . 19188 1 262 . 1 1 46 46 VAL N N 15 127.981 0.2 . 1 . . . . 42 V N . 19188 1 263 . 1 1 47 47 GLN H H 1 8.503 0.02 . 1 . . . . 43 Q H . 19188 1 264 . 1 1 47 47 GLN HA H 1 4.237 0.02 . 1 . . . . 43 Q HA . 19188 1 265 . 1 1 47 47 GLN C C 13 174.685 0.3 . 1 . . . . 43 Q C . 19188 1 266 . 1 1 47 47 GLN CA C 13 53.786 0.3 . 1 . . . . 43 Q CA . 19188 1 267 . 1 1 47 47 GLN CB C 13 29.687 0.3 . 1 . . . . 43 Q CB . 19188 1 268 . 1 1 47 47 GLN N N 15 130.113 0.2 . 1 . . . . 43 Q N . 19188 1 269 . 1 1 48 48 ASN H H 1 8.962 0.02 . 1 . . . . 44 N H . 19188 1 270 . 1 1 48 48 ASN C C 13 175.3 0.3 . 1 . . . . 44 N C . 19188 1 271 . 1 1 48 48 ASN CA C 13 52.015 0.3 . 1 . . . . 44 N CA . 19188 1 272 . 1 1 48 48 ASN CB C 13 39.651 0.3 . 1 . . . . 44 N CB . 19188 1 273 . 1 1 48 48 ASN N N 15 126.113 0.2 . 1 . . . . 44 N N . 19188 1 274 . 1 1 49 49 GLY H H 1 8.999 0.02 . 1 . . . . 45 G H . 19188 1 275 . 1 1 49 49 GLY HA2 H 1 3.844 0.02 . 2 . . . . 45 G HA2 . 19188 1 276 . 1 1 49 49 GLY HA3 H 1 3.435 0.02 . 2 . . . . 45 G HA3 . 19188 1 277 . 1 1 49 49 GLY C C 13 173.967 0.3 . 1 . . . . 45 G C . 19188 1 278 . 1 1 49 49 GLY CA C 13 47.53 0.3 . 1 . . . . 45 G CA . 19188 1 279 . 1 1 49 49 GLY N N 15 114.623 0.2 . 1 . . . . 45 G N . 19188 1 280 . 1 1 50 50 LYS H H 1 8.643 0.02 . 1 . . . . 46 K H . 19188 1 281 . 1 1 50 50 LYS HA H 1 4.188 0.02 . 1 . . . . 46 K HA . 19188 1 282 . 1 1 50 50 LYS C C 13 174.768 0.3 . 1 . . . . 46 K C . 19188 1 283 . 1 1 50 50 LYS CA C 13 56.687 0.3 . 1 . . . . 46 K CA . 19188 1 284 . 1 1 50 50 LYS CB C 13 33.513 0.3 . 1 . . . . 46 K CB . 19188 1 285 . 1 1 50 50 LYS N N 15 124.569 0.2 . 1 . . . . 46 K N . 19188 1 286 . 1 1 51 51 HIS H H 1 7.89 0.02 . 1 . . . . 47 H H . 19188 1 287 . 1 1 51 51 HIS HA H 1 4.849 0.02 . 1 . . . . 47 H HA . 19188 1 288 . 1 1 51 51 HIS C C 13 173.515 0.3 . 1 . . . . 47 H C . 19188 1 289 . 1 1 51 51 HIS CA C 13 56.598 0.3 . 1 . . . . 47 H CA . 19188 1 290 . 1 1 51 51 HIS CB C 13 31.869 0.3 . 1 . . . . 47 H CB . 19188 1 291 . 1 1 51 51 HIS N N 15 119.098 0.2 . 1 . . . . 47 H N . 19188 1 292 . 1 1 52 52 PHE H H 1 8.768 0.02 . 1 . . . . 48 F H . 19188 1 293 . 1 1 52 52 PHE HA H 1 4.491 0.02 . 1 . . . . 48 F HA . 19188 1 294 . 1 1 52 52 PHE C C 13 173.907 0.3 . 1 . . . . 48 F C . 19188 1 295 . 1 1 52 52 PHE CA C 13 56.594 0.3 . 1 . . . . 48 F CA . 19188 1 296 . 1 1 52 52 PHE CB C 13 43.481 0.3 . 1 . . . . 48 F CB . 19188 1 297 . 1 1 52 52 PHE N N 15 124.604 0.2 . 1 . . . . 48 F N . 19188 1 298 . 1 1 53 53 LYS H H 1 8.2 0.02 . 1 . . . . 49 K H . 19188 1 299 . 1 1 53 53 LYS HA H 1 4.814 0.02 . 1 . . . . 49 K HA . 19188 1 300 . 1 1 53 53 LYS C C 13 175.506 0.3 . 1 . . . . 49 K C . 19188 1 301 . 1 1 53 53 LYS CA C 13 55.125 0.3 . 1 . . . . 49 K CA . 19188 1 302 . 1 1 53 53 LYS CB C 13 35.633 0.3 . 1 . . . . 49 K CB . 19188 1 303 . 1 1 53 53 LYS N N 15 118.161 0.2 . 1 . . . . 49 K N . 19188 1 304 . 1 1 54 54 PHE H H 1 9.018 0.02 . 1 . . . . 50 F H . 19188 1 305 . 1 1 54 54 PHE HA H 1 5.903 0.02 . 1 . . . . 50 F HA . 19188 1 306 . 1 1 54 54 PHE C C 13 173.071 0.3 . 1 . . . . 50 F C . 19188 1 307 . 1 1 54 54 PHE CA C 13 55.321 0.3 . 1 . . . . 50 F CA . 19188 1 308 . 1 1 54 54 PHE CB C 13 42.958 0.3 . 1 . . . . 50 F CB . 19188 1 309 . 1 1 54 54 PHE N N 15 120.103 0.2 . 1 . . . . 50 F N . 19188 1 310 . 1 1 55 55 THR H H 1 9.167 0.02 . 1 . . . . 51 T H . 19188 1 311 . 1 1 55 55 THR C C 13 173.558 0.3 . 1 . . . . 51 T C . 19188 1 312 . 1 1 55 55 THR CA C 13 60.872 0.3 . 1 . . . . 51 T CA . 19188 1 313 . 1 1 55 55 THR CB C 13 71.67 0.3 . 1 . . . . 51 T CB . 19188 1 314 . 1 1 55 55 THR N N 15 118.616 0.2 . 1 . . . . 51 T N . 19188 1 315 . 1 1 56 56 ILE H H 1 8.846 0.02 . 1 . . . . 52 I H . 19188 1 316 . 1 1 56 56 ILE CA C 13 60.567 0.3 . 1 . . . . 52 I CA . 19188 1 317 . 1 1 56 56 ILE CB C 13 40.875 0.3 . 1 . . . . 52 I CB . 19188 1 318 . 1 1 56 56 ILE N N 15 126.147 0.2 . 1 . . . . 52 I N . 19188 1 319 . 1 1 57 57 THR H H 1 8.27 0.02 . 1 . . . . 53 T H . 19188 1 320 . 1 1 57 57 THR HA H 1 4.885 0.02 . 1 . . . . 53 T HA . 19188 1 321 . 1 1 57 57 THR C C 13 173.923 0.3 . 1 . . . . 53 T C . 19188 1 322 . 1 1 57 57 THR CA C 13 62.184 0.3 . 1 . . . . 53 T CA . 19188 1 323 . 1 1 57 57 THR CB C 13 69.974 0.3 . 1 . . . . 53 T CB . 19188 1 324 . 1 1 57 57 THR N N 15 121.087 0.2 . 1 . . . . 53 T N . 19188 1 325 . 1 1 58 58 ALA H H 1 9.018 0.02 . 1 . . . . 54 A H . 19188 1 326 . 1 1 58 58 ALA HA H 1 4.345 0.02 . 1 . . . . 54 A HA . 19188 1 327 . 1 1 58 58 ALA C C 13 174.946 0.3 . 1 . . . . 54 A C . 19188 1 328 . 1 1 58 58 ALA CA C 13 50.583 0.3 . 1 . . . . 54 A CA . 19188 1 329 . 1 1 58 58 ALA CB C 13 19.236 0.3 . 1 . . . . 54 A CB . 19188 1 330 . 1 1 58 58 ALA N N 15 130.98 0.2 . 1 . . . . 54 A N . 19188 1 331 . 1 1 59 59 GLY H H 1 8.749 0.02 . 1 . . . . 55 G H . 19188 1 332 . 1 1 59 59 GLY C C 13 175.803 0.3 . 1 . . . . 55 G C . 19188 1 333 . 1 1 59 59 GLY CA C 13 46.923 0.3 . 1 . . . . 55 G CA . 19188 1 334 . 1 1 59 59 GLY N N 15 111.961 0.2 . 1 . . . . 55 G N . 19188 1 335 . 1 1 60 60 SER H H 1 9.065 0.02 . 1 . . . . 56 S H . 19188 1 336 . 1 1 60 60 SER HA H 1 4.131 0.02 . 1 . . . . 56 S HA . 19188 1 337 . 1 1 60 60 SER C C 13 174.004 0.3 . 1 . . . . 56 S C . 19188 1 338 . 1 1 60 60 SER CA C 13 58.876 0.3 . 1 . . . . 56 S CA . 19188 1 339 . 1 1 60 60 SER CB C 13 63.87 0.3 . 1 . . . . 56 S CB . 19188 1 340 . 1 1 60 60 SER N N 15 121.713 0.2 . 1 . . . . 56 S N . 19188 1 341 . 1 1 61 61 LYS H H 1 7.979 0.02 . 1 . . . . 57 K H . 19188 1 342 . 1 1 61 61 LYS HA H 1 4.253 0.02 . 1 . . . . 57 K HA . 19188 1 343 . 1 1 61 61 LYS C C 13 173.694 0.3 . 1 . . . . 57 K C . 19188 1 344 . 1 1 61 61 LYS CA C 13 55.398 0.3 . 1 . . . . 57 K CA . 19188 1 345 . 1 1 61 61 LYS CB C 13 32.987 0.3 . 1 . . . . 57 K CB . 19188 1 346 . 1 1 61 61 LYS N N 15 123.864 0.2 . 1 . . . . 57 K N . 19188 1 347 . 1 1 62 62 VAL H H 1 8.113 0.02 . 1 . . . . 58 V H . 19188 1 348 . 1 1 62 62 VAL C C 13 176.244 0.3 . 1 . . . . 58 V C . 19188 1 349 . 1 1 62 62 VAL CA C 13 60.918 0.3 . 1 . . . . 58 V CA . 19188 1 350 . 1 1 62 62 VAL CB C 13 34.066 0.3 . 1 . . . . 58 V CB . 19188 1 351 . 1 1 62 62 VAL N N 15 124.788 0.2 . 1 . . . . 58 V N . 19188 1 352 . 1 1 63 63 ILE H H 1 8.817 0.02 . 1 . . . . 59 I H . 19188 1 353 . 1 1 63 63 ILE HA H 1 4.153 0.02 . 1 . . . . 59 I HA . 19188 1 354 . 1 1 63 63 ILE C C 13 175.167 0.3 . 1 . . . . 59 I C . 19188 1 355 . 1 1 63 63 ILE CA C 13 60.677 0.3 . 1 . . . . 59 I CA . 19188 1 356 . 1 1 63 63 ILE CB C 13 40.661 0.3 . 1 . . . . 59 I CB . 19188 1 357 . 1 1 63 63 ILE N N 15 126.179 0.2 . 1 . . . . 59 I N . 19188 1 358 . 1 1 64 64 GLN H H 1 8.914 0.02 . 1 . . . . 60 Q H . 19188 1 359 . 1 1 64 64 GLN HA H 1 4.852 0.02 . 1 . . . . 60 Q HA . 19188 1 360 . 1 1 64 64 GLN C C 13 173.714 0.3 . 1 . . . . 60 Q C . 19188 1 361 . 1 1 64 64 GLN CA C 13 54.667 0.3 . 1 . . . . 60 Q CA . 19188 1 362 . 1 1 64 64 GLN CB C 13 31.697 0.3 . 1 . . . . 60 Q CB . 19188 1 363 . 1 1 64 64 GLN N N 15 128.599 0.2 . 1 . . . . 60 Q N . 19188 1 364 . 1 1 65 65 ASN H H 1 8.139 0.02 . 1 . . . . 61 N H . 19188 1 365 . 1 1 65 65 ASN HA H 1 4.891 0.02 . 1 . . . . 61 N HA . 19188 1 366 . 1 1 65 65 ASN C C 13 173.448 0.3 . 1 . . . . 61 N C . 19188 1 367 . 1 1 65 65 ASN CA C 13 52.619 0.3 . 1 . . . . 61 N CA . 19188 1 368 . 1 1 65 65 ASN CB C 13 47.124 0.3 . 1 . . . . 61 N CB . 19188 1 369 . 1 1 65 65 ASN N N 15 119.828 0.2 . 1 . . . . 61 N N . 19188 1 370 . 1 1 66 66 GLU H H 1 8.737 0.02 . 1 . . . . 62 E H . 19188 1 371 . 1 1 66 66 GLU HA H 1 5.141 0.02 . 1 . . . . 62 E HA . 19188 1 372 . 1 1 66 66 GLU C C 13 173.827 0.3 . 1 . . . . 62 E C . 19188 1 373 . 1 1 66 66 GLU CA C 13 55.217 0.3 . 1 . . . . 62 E CA . 19188 1 374 . 1 1 66 66 GLU CB C 13 34.072 0.3 . 1 . . . . 62 E CB . 19188 1 375 . 1 1 66 66 GLU N N 15 115.853 0.2 . 1 . . . . 62 E N . 19188 1 376 . 1 1 67 67 PHE H H 1 8.444 0.02 . 1 . . . . 63 F H . 19188 1 377 . 1 1 67 67 PHE HA H 1 4.818 0.02 . 1 . . . . 63 F HA . 19188 1 378 . 1 1 67 67 PHE C C 13 172.36 0.3 . 1 . . . . 63 F C . 19188 1 379 . 1 1 67 67 PHE CA C 13 57.268 0.3 . 1 . . . . 63 F CA . 19188 1 380 . 1 1 67 67 PHE CB C 13 41.704 0.3 . 1 . . . . 63 F CB . 19188 1 381 . 1 1 67 67 PHE N N 15 113.258 0.2 . 1 . . . . 63 F N . 19188 1 382 . 1 1 68 68 THR H H 1 8.834 0.02 . 1 . . . . 64 T H . 19188 1 383 . 1 1 68 68 THR HA H 1 5.143 0.02 . 1 . . . . 64 T HA . 19188 1 384 . 1 1 68 68 THR C C 13 176.123 0.3 . 1 . . . . 64 T C . 19188 1 385 . 1 1 68 68 THR CA C 13 61.141 0.3 . 1 . . . . 64 T CA . 19188 1 386 . 1 1 68 68 THR CB C 13 70.254 0.3 . 1 . . . . 64 T CB . 19188 1 387 . 1 1 68 68 THR N N 15 116.356 0.2 . 1 . . . . 64 T N . 19188 1 388 . 1 1 69 69 VAL H H 1 9.181 0.02 . 1 . . . . 65 V H . 19188 1 389 . 1 1 69 69 VAL HA H 1 3.877 0.02 . 1 . . . . 65 V HA . 19188 1 390 . 1 1 69 69 VAL C C 13 176.847 0.3 . 1 . . . . 65 V C . 19188 1 391 . 1 1 69 69 VAL CA C 13 64.641 0.3 . 1 . . . . 65 V CA . 19188 1 392 . 1 1 69 69 VAL CB C 13 32.251 0.3 . 1 . . . . 65 V CB . 19188 1 393 . 1 1 69 69 VAL N N 15 126.156 0.2 . 1 . . . . 65 V N . 19188 1 394 . 1 1 70 70 GLY H H 1 8.697 0.02 . 1 . . . . 66 G H . 19188 1 395 . 1 1 70 70 GLY HA2 H 1 3.333 0.02 . 2 . . . . 66 G HA2 . 19188 1 396 . 1 1 70 70 GLY HA3 H 1 4.142 0.02 . 2 . . . . 66 G HA3 . 19188 1 397 . 1 1 70 70 GLY C C 13 173.502 0.3 . 1 . . . . 66 G C . 19188 1 398 . 1 1 70 70 GLY CA C 13 45.561 0.3 . 1 . . . . 66 G CA . 19188 1 399 . 1 1 70 70 GLY N N 15 109.256 0.2 . 1 . . . . 66 G N . 19188 1 400 . 1 1 71 71 GLU H H 1 7.692 0.02 . 1 . . . . 67 E H . 19188 1 401 . 1 1 71 71 GLU HA H 1 4.606 0.02 . 1 . . . . 67 E HA . 19188 1 402 . 1 1 71 71 GLU C C 13 175.666 0.3 . 1 . . . . 67 E C . 19188 1 403 . 1 1 71 71 GLU CA C 13 54.044 0.3 . 1 . . . . 67 E CA . 19188 1 404 . 1 1 71 71 GLU CB C 13 31.954 0.3 . 1 . . . . 67 E CB . 19188 1 405 . 1 1 71 71 GLU N N 15 117.871 0.2 . 1 . . . . 67 E N . 19188 1 406 . 1 1 72 72 GLU H H 1 8.871 0.02 . 1 . . . . 68 E H . 19188 1 407 . 1 1 72 72 GLU HA H 1 4.203 0.02 . 1 . . . . 68 E HA . 19188 1 408 . 1 1 72 72 GLU C C 13 175.877 0.3 . 1 . . . . 68 E C . 19188 1 409 . 1 1 72 72 GLU CA C 13 58.269 0.3 . 1 . . . . 68 E CA . 19188 1 410 . 1 1 72 72 GLU CB C 13 30.021 0.3 . 1 . . . . 68 E CB . 19188 1 411 . 1 1 72 72 GLU N N 15 123.962 0.2 . 1 . . . . 68 E N . 19188 1 412 . 1 1 73 73 CYS H H 1 9.138 0.02 . 1 . . . . 69 C H . 19188 1 413 . 1 1 73 73 CYS HA H 1 5.031 0.02 . 1 . . . . 69 C HA . 19188 1 414 . 1 1 73 73 CYS C C 13 171.896 0.3 . 1 . . . . 69 C C . 19188 1 415 . 1 1 73 73 CYS CA C 13 55.375 0.3 . 1 . . . . 69 C CA . 19188 1 416 . 1 1 73 73 CYS CB C 13 32.264 0.3 . 1 . . . . 69 C CB . 19188 1 417 . 1 1 73 73 CYS N N 15 122.034 0.2 . 1 . . . . 69 C N . 19188 1 418 . 1 1 74 74 GLU H H 1 8.34 0.02 . 1 . . . . 70 E H . 19188 1 419 . 1 1 74 74 GLU HA H 1 4.936 0.02 . 1 . . . . 70 E HA . 19188 1 420 . 1 1 74 74 GLU C C 13 175.275 0.3 . 1 . . . . 70 E C . 19188 1 421 . 1 1 74 74 GLU CA C 13 55.069 0.3 . 1 . . . . 70 E CA . 19188 1 422 . 1 1 74 74 GLU CB C 13 32.046 0.3 . 1 . . . . 70 E CB . 19188 1 423 . 1 1 74 74 GLU N N 15 118.926 0.2 . 1 . . . . 70 E N . 19188 1 424 . 1 1 75 75 LEU H H 1 8.78 0.02 . 1 . . . . 71 L H . 19188 1 425 . 1 1 75 75 LEU HA H 1 4.451 0.02 . 1 . . . . 71 L HA . 19188 1 426 . 1 1 75 75 LEU C C 13 175.374 0.3 . 1 . . . . 71 L C . 19188 1 427 . 1 1 75 75 LEU CA C 13 52.807 0.3 . 1 . . . . 71 L CA . 19188 1 428 . 1 1 75 75 LEU CB C 13 44 0.3 . 1 . . . . 71 L CB . 19188 1 429 . 1 1 75 75 LEU N N 15 123.851 0.2 . 1 . . . . 71 L N . 19188 1 430 . 1 1 76 76 GLU H H 1 9.559 0.02 . 1 . . . . 72 E H . 19188 1 431 . 1 1 76 76 GLU HA H 1 4.353 0.02 . 1 . . . . 72 E HA . 19188 1 432 . 1 1 76 76 GLU C C 13 176.385 0.3 . 1 . . . . 72 E C . 19188 1 433 . 1 1 76 76 GLU CA C 13 55.974 0.3 . 1 . . . . 72 E CA . 19188 1 434 . 1 1 76 76 GLU CB C 13 30.728 0.3 . 1 . . . . 72 E CB . 19188 1 435 . 1 1 76 76 GLU N N 15 123.411 0.2 . 1 . . . . 72 E N . 19188 1 436 . 1 1 77 77 THR H H 1 8.039 0.02 . 1 . . . . 73 T H . 19188 1 437 . 1 1 77 77 THR CA C 13 60.814 0.3 . 1 . . . . 73 T CA . 19188 1 438 . 1 1 77 77 THR CB C 13 70.583 0.3 . 1 . . . . 73 T CB . 19188 1 439 . 1 1 77 77 THR N N 15 111.046 0.2 . 1 . . . . 73 T N . 19188 1 440 . 1 1 79 79 THR HA H 1 4.367 0.02 . 1 . . . . 75 T HA . 19188 1 441 . 1 1 79 79 THR C C 13 175.61 0.3 . 1 . . . . 75 T C . 19188 1 442 . 1 1 79 79 THR CA C 13 61.791 0.3 . 1 . . . . 75 T CA . 19188 1 443 . 1 1 79 79 THR CB C 13 69.248 0.3 . 1 . . . . 75 T CB . 19188 1 444 . 1 1 80 80 GLY H H 1 7.493 0.02 . 1 . . . . 76 G H . 19188 1 445 . 1 1 80 80 GLY HA2 H 1 3.561 0.02 . 1 . . . . 76 G HA2 . 19188 1 446 . 1 1 80 80 GLY HA3 H 1 4.211 0.02 . 1 . . . . 76 G HA3 . 19188 1 447 . 1 1 80 80 GLY C C 13 173.611 0.3 . 1 . . . . 76 G C . 19188 1 448 . 1 1 80 80 GLY CA C 13 44.937 0.3 . 1 . . . . 76 G CA . 19188 1 449 . 1 1 80 80 GLY N N 15 109.005 0.2 . 1 . . . . 76 G N . 19188 1 450 . 1 1 81 81 GLU H H 1 7.143 0.02 . 1 . . . . 77 E H . 19188 1 451 . 1 1 81 81 GLU HA H 1 3.969 0.02 . 1 . . . . 77 E HA . 19188 1 452 . 1 1 81 81 GLU CA C 13 56.378 0.3 . 1 . . . . 77 E CA . 19188 1 453 . 1 1 81 81 GLU CB C 13 30.39 0.3 . 1 . . . . 77 E CB . 19188 1 454 . 1 1 81 81 GLU N N 15 119.48 0.2 . 1 . . . . 77 E N . 19188 1 455 . 1 1 82 82 LYS H H 1 8.508 0.02 . 1 . . . . 78 K H . 19188 1 456 . 1 1 82 82 LYS HA H 1 5.128 0.02 . 1 . . . . 78 K HA . 19188 1 457 . 1 1 82 82 LYS C C 13 176.875 0.3 . 1 . . . . 78 K C . 19188 1 458 . 1 1 82 82 LYS CA C 13 54.752 0.3 . 1 . . . . 78 K CA . 19188 1 459 . 1 1 82 82 LYS CB C 13 33.473 0.3 . 1 . . . . 78 K CB . 19188 1 460 . 1 1 82 82 LYS N N 15 123.257 0.2 . 1 . . . . 78 K N . 19188 1 461 . 1 1 83 83 VAL H H 1 8.751 0.02 . 1 . . . . 79 V H . 19188 1 462 . 1 1 83 83 VAL CA C 13 59.303 0.3 . 1 . . . . 79 V CA . 19188 1 463 . 1 1 83 83 VAL CB C 13 34.426 0.3 . 1 . . . . 79 V CB . 19188 1 464 . 1 1 83 83 VAL N N 15 117.958 0.2 . 1 . . . . 79 V N . 19188 1 465 . 1 1 84 84 LYS HA H 1 5.217 0.02 . 1 . . . . 80 K HA . 19188 1 466 . 1 1 84 84 LYS C C 13 176.536 0.3 . 1 . . . . 80 K C . 19188 1 467 . 1 1 84 84 LYS CA C 13 55.195 0.3 . 1 . . . . 80 K CA . 19188 1 468 . 1 1 84 84 LYS CB C 13 33.404 0.3 . 1 . . . . 80 K CB . 19188 1 469 . 1 1 85 85 THR H H 1 8.44 0.02 . 1 . . . . 81 T H . 19188 1 470 . 1 1 85 85 THR HA H 1 4.592 0.02 . 1 . . . . 81 T HA . 19188 1 471 . 1 1 85 85 THR C C 13 170.844 0.3 . 1 . . . . 81 T C . 19188 1 472 . 1 1 85 85 THR CA C 13 59.475 0.3 . 1 . . . . 81 T CA . 19188 1 473 . 1 1 85 85 THR CB C 13 69.131 0.3 . 1 . . . . 81 T CB . 19188 1 474 . 1 1 85 85 THR N N 15 117.131 0.2 . 1 . . . . 81 T N . 19188 1 475 . 1 1 86 86 VAL H H 1 8.222 0.02 . 1 . . . . 82 V H . 19188 1 476 . 1 1 86 86 VAL HA H 1 4.125 0.02 . 1 . . . . 82 V HA . 19188 1 477 . 1 1 86 86 VAL C C 13 175.379 0.3 . 1 . . . . 82 V C . 19188 1 478 . 1 1 86 86 VAL CA C 13 61.453 0.3 . 1 . . . . 82 V CA . 19188 1 479 . 1 1 86 86 VAL CB C 13 35.312 0.3 . 1 . . . . 82 V CB . 19188 1 480 . 1 1 86 86 VAL N N 15 119.195 0.2 . 1 . . . . 82 V N . 19188 1 481 . 1 1 87 87 VAL H H 1 9.823 0.02 . 1 . . . . 83 V H . 19188 1 482 . 1 1 87 87 VAL HA H 1 4.006 0.02 . 1 . . . . 83 V HA . 19188 1 483 . 1 1 87 87 VAL C C 13 174.944 0.3 . 1 . . . . 83 V C . 19188 1 484 . 1 1 87 87 VAL CA C 13 61.392 0.3 . 1 . . . . 83 V CA . 19188 1 485 . 1 1 87 87 VAL CB C 13 31.539 0.3 . 1 . . . . 83 V CB . 19188 1 486 . 1 1 87 87 VAL N N 15 132.682 0.2 . 1 . . . . 83 V N . 19188 1 487 . 1 1 88 88 GLN H H 1 8.623 0.02 . 1 . . . . 84 Q H . 19188 1 488 . 1 1 88 88 GLN HA H 1 4.728 0.02 . 1 . . . . 84 Q HA . 19188 1 489 . 1 1 88 88 GLN C C 13 174.85 0.3 . 1 . . . . 84 Q C . 19188 1 490 . 1 1 88 88 GLN CA C 13 53.706 0.3 . 1 . . . . 84 Q CA . 19188 1 491 . 1 1 88 88 GLN CB C 13 31.186 0.3 . 1 . . . . 84 Q CB . 19188 1 492 . 1 1 88 88 GLN N N 15 123.225 0.2 . 1 . . . . 84 Q N . 19188 1 493 . 1 1 89 89 LEU H H 1 8.204 0.02 . 1 . . . . 85 L H . 19188 1 494 . 1 1 89 89 LEU HA H 1 5.011 0.02 . 1 . . . . 85 L HA . 19188 1 495 . 1 1 89 89 LEU C C 13 176.88 0.3 . 1 . . . . 85 L C . 19188 1 496 . 1 1 89 89 LEU CA C 13 54.319 0.3 . 1 . . . . 85 L CA . 19188 1 497 . 1 1 89 89 LEU CB C 13 44.199 0.3 . 1 . . . . 85 L CB . 19188 1 498 . 1 1 89 89 LEU N N 15 121.93 0.2 . 1 . . . . 85 L N . 19188 1 499 . 1 1 90 90 GLU H H 1 8.855 0.02 . 1 . . . . 86 E H . 19188 1 500 . 1 1 90 90 GLU HA H 1 4.377 0.02 . 1 . . . . 86 E HA . 19188 1 501 . 1 1 90 90 GLU C C 13 175.993 0.3 . 1 . . . . 86 E C . 19188 1 502 . 1 1 90 90 GLU CA C 13 55.431 0.3 . 1 . . . . 86 E CA . 19188 1 503 . 1 1 90 90 GLU CB C 13 31.698 0.3 . 1 . . . . 86 E CB . 19188 1 504 . 1 1 90 90 GLU N N 15 126.836 0.2 . 1 . . . . 86 E N . 19188 1 505 . 1 1 91 91 GLY H H 1 8.284 0.02 . 1 . . . . 87 G H . 19188 1 506 . 1 1 91 91 GLY HA2 H 1 3.57 0.02 . 2 . . . . 87 G HA2 . 19188 1 507 . 1 1 91 91 GLY HA3 H 1 3.932 0.02 . 2 . . . . 87 G HA3 . 19188 1 508 . 1 1 91 91 GLY C C 13 173.79 0.3 . 1 . . . . 87 G C . 19188 1 509 . 1 1 91 91 GLY CA C 13 45.881 0.3 . 1 . . . . 87 G CA . 19188 1 510 . 1 1 91 91 GLY N N 15 111.477 0.2 . 1 . . . . 87 G N . 19188 1 511 . 1 1 92 92 ASP H H 1 8.351 0.02 . 1 . . . . 88 D H . 19188 1 512 . 1 1 92 92 ASP HA H 1 4.609 0.02 . 1 . . . . 88 D HA . 19188 1 513 . 1 1 92 92 ASP C C 13 177.696 0.3 . 1 . . . . 88 D C . 19188 1 514 . 1 1 92 92 ASP CA C 13 54.865 0.3 . 1 . . . . 88 D CA . 19188 1 515 . 1 1 92 92 ASP CB C 13 41.806 0.3 . 1 . . . . 88 D CB . 19188 1 516 . 1 1 92 92 ASP N N 15 116.824 0.2 . 1 . . . . 88 D N . 19188 1 517 . 1 1 93 93 ASN H H 1 7.978 0.02 . 1 . . . . 89 N H . 19188 1 518 . 1 1 93 93 ASN HA H 1 4.683 0.02 . 1 . . . . 89 N HA . 19188 1 519 . 1 1 93 93 ASN C C 13 174.041 0.3 . 1 . . . . 89 N C . 19188 1 520 . 1 1 93 93 ASN CA C 13 53.409 0.3 . 1 . . . . 89 N CA . 19188 1 521 . 1 1 93 93 ASN CB C 13 39.579 0.3 . 1 . . . . 89 N CB . 19188 1 522 . 1 1 93 93 ASN N N 15 113.376 0.2 . 1 . . . . 89 N N . 19188 1 523 . 1 1 94 94 LYS H H 1 7.297 0.02 . 1 . . . . 90 K H . 19188 1 524 . 1 1 94 94 LYS HA H 1 5.63 0.02 . 1 . . . . 90 K HA . 19188 1 525 . 1 1 94 94 LYS C C 13 174.757 0.3 . 1 . . . . 90 K C . 19188 1 526 . 1 1 94 94 LYS CA C 13 55.032 0.3 . 1 . . . . 90 K CA . 19188 1 527 . 1 1 94 94 LYS CB C 13 36.153 0.3 . 1 . . . . 90 K CB . 19188 1 528 . 1 1 94 94 LYS N N 15 117.153 0.2 . 1 . . . . 90 K N . 19188 1 529 . 1 1 95 95 LEU H H 1 8.737 0.02 . 1 . . . . 91 L H . 19188 1 530 . 1 1 95 95 LEU HA H 1 4.997 0.02 . 1 . . . . 91 L HA . 19188 1 531 . 1 1 95 95 LEU C C 13 176.558 0.3 . 1 . . . . 91 L C . 19188 1 532 . 1 1 95 95 LEU CA C 13 52.886 0.3 . 1 . . . . 91 L CA . 19188 1 533 . 1 1 95 95 LEU CB C 13 44.042 0.3 . 1 . . . . 91 L CB . 19188 1 534 . 1 1 95 95 LEU N N 15 122.728 0.2 . 1 . . . . 91 L N . 19188 1 535 . 1 1 96 96 VAL H H 1 8.985 0.02 . 1 . . . . 92 V H . 19188 1 536 . 1 1 96 96 VAL HA H 1 4.896 0.02 . 1 . . . . 92 V HA . 19188 1 537 . 1 1 96 96 VAL C C 13 175.102 0.3 . 1 . . . . 92 V C . 19188 1 538 . 1 1 96 96 VAL CA C 13 60.27 0.3 . 1 . . . . 92 V CA . 19188 1 539 . 1 1 96 96 VAL CB C 13 35.445 0.3 . 1 . . . . 92 V CB . 19188 1 540 . 1 1 96 96 VAL N N 15 119.867 0.2 . 1 . . . . 92 V N . 19188 1 541 . 1 1 97 97 THR H H 1 8.611 0.02 . 1 . . . . 93 T H . 19188 1 542 . 1 1 97 97 THR HA H 1 4.459 0.02 . 1 . . . . 93 T HA . 19188 1 543 . 1 1 97 97 THR C C 13 170.582 0.3 . 1 . . . . 93 T C . 19188 1 544 . 1 1 97 97 THR CA C 13 61.253 0.3 . 1 . . . . 93 T CA . 19188 1 545 . 1 1 97 97 THR CB C 13 69.405 0.3 . 1 . . . . 93 T CB . 19188 1 546 . 1 1 97 97 THR N N 15 118.341 0.2 . 1 . . . . 93 T N . 19188 1 547 . 1 1 98 98 ALA H H 1 8.049 0.02 . 1 . . . . 94 A H . 19188 1 548 . 1 1 98 98 ALA CA C 13 51.246 0.3 . 1 . . . . 94 A CA . 19188 1 549 . 1 1 98 98 ALA CB C 13 22.169 0.3 . 1 . . . . 94 A CB . 19188 1 550 . 1 1 98 98 ALA N N 15 124.383 0.2 . 1 . . . . 94 A N . 19188 1 551 . 1 1 99 99 PHE H H 1 8.104 0.02 . 1 . . . . 95 F H . 19188 1 552 . 1 1 99 99 PHE N N 15 117.175 0.2 . 1 . . . . 95 F N . 19188 1 553 . 1 1 101 101 ASN HA H 1 3.698 0.02 . 1 . . . . 97 N HA . 19188 1 554 . 1 1 101 101 ASN C C 13 173.579 0.3 . 1 . . . . 97 N C . 19188 1 555 . 1 1 101 101 ASN CA C 13 58.484 0.3 . 1 . . . . 97 N CA . 19188 1 556 . 1 1 101 101 ASN CB C 13 37.319 0.3 . 1 . . . . 97 N CB . 19188 1 557 . 1 1 102 102 ILE H H 1 8.339 0.02 . 1 . . . . 98 I H . 19188 1 558 . 1 1 102 102 ILE C C 13 176.017 0.3 . 1 . . . . 98 I C . 19188 1 559 . 1 1 102 102 ILE CA C 13 60.708 0.3 . 1 . . . . 98 I CA . 19188 1 560 . 1 1 102 102 ILE CB C 13 39.874 0.3 . 1 . . . . 98 I CB . 19188 1 561 . 1 1 102 102 ILE N N 15 120.511 0.2 . 1 . . . . 98 I N . 19188 1 562 . 1 1 103 103 LYS H H 1 7.939 0.02 . 1 . . . . 99 K H . 19188 1 563 . 1 1 103 103 LYS C C 13 175.144 0.3 . 1 . . . . 99 K C . 19188 1 564 . 1 1 103 103 LYS CA C 13 55.271 0.3 . 1 . . . . 99 K CA . 19188 1 565 . 1 1 103 103 LYS CB C 13 34.97 0.3 . 1 . . . . 99 K CB . 19188 1 566 . 1 1 103 103 LYS N N 15 124.866 0.2 . 1 . . . . 99 K N . 19188 1 567 . 1 1 104 104 SER H H 1 8.624 0.02 . 1 . . . . 100 S H . 19188 1 568 . 1 1 104 104 SER HA H 1 5.125 0.02 . 1 . . . . 100 S HA . 19188 1 569 . 1 1 104 104 SER C C 13 173.608 0.3 . 1 . . . . 100 S C . 19188 1 570 . 1 1 104 104 SER CA C 13 57.079 0.3 . 1 . . . . 100 S CA . 19188 1 571 . 1 1 104 104 SER CB C 13 64.944 0.3 . 1 . . . . 100 S CB . 19188 1 572 . 1 1 104 104 SER N N 15 117.884 0.2 . 1 . . . . 100 S N . 19188 1 573 . 1 1 105 105 VAL H H 1 8.532 0.02 . 1 . . . . 101 V H . 19188 1 574 . 1 1 105 105 VAL HA H 1 4.555 0.02 . 1 . . . . 101 V HA . 19188 1 575 . 1 1 105 105 VAL C C 13 174.811 0.3 . 1 . . . . 101 V C . 19188 1 576 . 1 1 105 105 VAL CA C 13 61.516 0.3 . 1 . . . . 101 V CA . 19188 1 577 . 1 1 105 105 VAL CB C 13 35.196 0.3 . 1 . . . . 101 V CB . 19188 1 578 . 1 1 105 105 VAL N N 15 127.069 0.2 . 1 . . . . 101 V N . 19188 1 579 . 1 1 106 106 THR H H 1 9.321 0.02 . 1 . . . . 102 T H . 19188 1 580 . 1 1 106 106 THR HA H 1 4.854 0.02 . 1 . . . . 102 T HA . 19188 1 581 . 1 1 106 106 THR C C 13 173.479 0.3 . 1 . . . . 102 T C . 19188 1 582 . 1 1 106 106 THR CA C 13 61.735 0.3 . 1 . . . . 102 T CA . 19188 1 583 . 1 1 106 106 THR CB C 13 69.847 0.3 . 1 . . . . 102 T CB . 19188 1 584 . 1 1 106 106 THR N N 15 128.062 0.2 . 1 . . . . 102 T N . 19188 1 585 . 1 1 107 107 GLU H H 1 9.001 0.02 . 1 . . . . 103 E H . 19188 1 586 . 1 1 107 107 GLU HA H 1 5.199 0.02 . 1 . . . . 103 E HA . 19188 1 587 . 1 1 107 107 GLU C C 13 173.957 0.3 . 1 . . . . 103 E C . 19188 1 588 . 1 1 107 107 GLU CA C 13 54.548 0.3 . 1 . . . . 103 E CA . 19188 1 589 . 1 1 107 107 GLU CB C 13 33.784 0.3 . 1 . . . . 103 E CB . 19188 1 590 . 1 1 107 107 GLU N N 15 124.921 0.2 . 1 . . . . 103 E N . 19188 1 591 . 1 1 108 108 LEU H H 1 8.339 0.02 . 1 . . . . 104 L H . 19188 1 592 . 1 1 108 108 LEU HA H 1 4.673 0.02 . 1 . . . . 104 L HA . 19188 1 593 . 1 1 108 108 LEU C C 13 175.216 0.3 . 1 . . . . 104 L C . 19188 1 594 . 1 1 108 108 LEU CA C 13 53.655 0.3 . 1 . . . . 104 L CA . 19188 1 595 . 1 1 108 108 LEU CB C 13 45.313 0.3 . 1 . . . . 104 L CB . 19188 1 596 . 1 1 108 108 LEU N N 15 127.102 0.2 . 1 . . . . 104 L N . 19188 1 597 . 1 1 109 109 ASN H H 1 8.796 0.02 . 1 . . . . 105 N H . 19188 1 598 . 1 1 109 109 ASN C C 13 175.134 0.3 . 1 . . . . 105 N C . 19188 1 599 . 1 1 109 109 ASN CA C 13 52.508 0.3 . 1 . . . . 105 N CA . 19188 1 600 . 1 1 109 109 ASN CB C 13 40.306 0.3 . 1 . . . . 105 N CB . 19188 1 601 . 1 1 109 109 ASN N N 15 125.161 0.2 . 1 . . . . 105 N N . 19188 1 602 . 1 1 110 110 GLY H H 1 8.769 0.02 . 1 . . . . 106 G H . 19188 1 603 . 1 1 110 110 GLY HA2 H 1 3.393 0.02 . 2 . . . . 106 G HA2 . 19188 1 604 . 1 1 110 110 GLY HA3 H 1 3.815 0.02 . 2 . . . . 106 G HA3 . 19188 1 605 . 1 1 110 110 GLY C C 13 173.169 0.3 . 1 . . . . 106 G C . 19188 1 606 . 1 1 110 110 GLY CA C 13 47.841 0.3 . 1 . . . . 106 G CA . 19188 1 607 . 1 1 110 110 GLY N N 15 114.193 0.2 . 1 . . . . 106 G N . 19188 1 608 . 1 1 111 111 ASP H H 1 8.719 0.02 . 1 . . . . 107 D H . 19188 1 609 . 1 1 111 111 ASP HA H 1 4.612 0.02 . 1 . . . . 107 D HA . 19188 1 610 . 1 1 111 111 ASP C C 13 174.134 0.3 . 1 . . . . 107 D C . 19188 1 611 . 1 1 111 111 ASP CA C 13 53.964 0.3 . 1 . . . . 107 D CA . 19188 1 612 . 1 1 111 111 ASP CB C 13 41.948 0.3 . 1 . . . . 107 D CB . 19188 1 613 . 1 1 111 111 ASP N N 15 125.676 0.2 . 1 . . . . 107 D N . 19188 1 614 . 1 1 112 112 ILE H H 1 7.764 0.02 . 1 . . . . 108 I H . 19188 1 615 . 1 1 112 112 ILE HA H 1 4.898 0.02 . 1 . . . . 108 I HA . 19188 1 616 . 1 1 112 112 ILE C C 13 175.983 0.3 . 1 . . . . 108 I C . 19188 1 617 . 1 1 112 112 ILE CA C 13 58.813 0.3 . 1 . . . . 108 I CA . 19188 1 618 . 1 1 112 112 ILE CB C 13 38.947 0.3 . 1 . . . . 108 I CB . 19188 1 619 . 1 1 112 112 ILE N N 15 119.044 0.2 . 1 . . . . 108 I N . 19188 1 620 . 1 1 113 113 ILE H H 1 8.729 0.02 . 1 . . . . 109 I H . 19188 1 621 . 1 1 113 113 ILE HA H 1 4.972 0.02 . 1 . . . . 109 I HA . 19188 1 622 . 1 1 113 113 ILE C C 13 174.067 0.3 . 1 . . . . 109 I C . 19188 1 623 . 1 1 113 113 ILE CA C 13 58.87 0.3 . 1 . . . . 109 I CA . 19188 1 624 . 1 1 113 113 ILE CB C 13 41.348 0.3 . 1 . . . . 109 I CB . 19188 1 625 . 1 1 113 113 ILE N N 15 127.274 0.2 . 1 . . . . 109 I N . 19188 1 626 . 1 1 114 114 THR H H 1 8.788 0.02 . 1 . . . . 110 T H . 19188 1 627 . 1 1 114 114 THR HA H 1 4.992 0.02 . 1 . . . . 110 T HA . 19188 1 628 . 1 1 114 114 THR C C 13 173.543 0.3 . 1 . . . . 110 T C . 19188 1 629 . 1 1 114 114 THR CA C 13 60.538 0.3 . 1 . . . . 110 T CA . 19188 1 630 . 1 1 114 114 THR CB C 13 70.269 0.3 . 1 . . . . 110 T CB . 19188 1 631 . 1 1 114 114 THR N N 15 121.185 0.2 . 1 . . . . 110 T N . 19188 1 632 . 1 1 115 115 ASN H H 1 9.213 0.02 . 1 . . . . 111 N H . 19188 1 633 . 1 1 115 115 ASN HA H 1 5.356 0.02 . 1 . . . . 111 N HA . 19188 1 634 . 1 1 115 115 ASN C C 13 174.388 0.3 . 1 . . . . 111 N C . 19188 1 635 . 1 1 115 115 ASN CA C 13 52.993 0.3 . 1 . . . . 111 N CA . 19188 1 636 . 1 1 115 115 ASN CB C 13 43.838 0.3 . 1 . . . . 111 N CB . 19188 1 637 . 1 1 115 115 ASN N N 15 125.765 0.2 . 1 . . . . 111 N N . 19188 1 638 . 1 1 116 116 THR H H 1 9.093 0.02 . 1 . . . . 112 T H . 19188 1 639 . 1 1 116 116 THR HA H 1 4.603 0.02 . 1 . . . . 112 T HA . 19188 1 640 . 1 1 116 116 THR C C 13 173.649 0.3 . 1 . . . . 112 T C . 19188 1 641 . 1 1 116 116 THR CA C 13 62.073 0.3 . 1 . . . . 112 T CA . 19188 1 642 . 1 1 116 116 THR CB C 13 69.679 0.3 . 1 . . . . 112 T CB . 19188 1 643 . 1 1 116 116 THR N N 15 123.458 0.2 . 1 . . . . 112 T N . 19188 1 644 . 1 1 117 117 MET H H 1 9.083 0.02 . 1 . . . . 113 M H . 19188 1 645 . 1 1 117 117 MET HA H 1 5.426 0.02 . 1 . . . . 113 M HA . 19188 1 646 . 1 1 117 117 MET C C 13 174.098 0.3 . 1 . . . . 113 M C . 19188 1 647 . 1 1 117 117 MET CA C 13 54.251 0.3 . 1 . . . . 113 M CA . 19188 1 648 . 1 1 117 117 MET CB C 13 36.401 0.3 . 1 . . . . 113 M CB . 19188 1 649 . 1 1 117 117 MET N N 15 126.85 0.2 . 1 . . . . 113 M N . 19188 1 650 . 1 1 118 118 THR H H 1 8.867 0.02 . 1 . . . . 114 T H . 19188 1 651 . 1 1 118 118 THR HA H 1 5.186 0.02 . 1 . . . . 114 T HA . 19188 1 652 . 1 1 118 118 THR C C 13 174.159 0.3 . 1 . . . . 114 T C . 19188 1 653 . 1 1 118 118 THR CA C 13 61.151 0.3 . 1 . . . . 114 T CA . 19188 1 654 . 1 1 118 118 THR CB C 13 70.841 0.3 . 1 . . . . 114 T CB . 19188 1 655 . 1 1 118 118 THR N N 15 116.381 0.2 . 1 . . . . 114 T N . 19188 1 656 . 1 1 119 119 LEU H H 1 8.565 0.02 . 1 . . . . 115 L H . 19188 1 657 . 1 1 119 119 LEU HA H 1 4.515 0.02 . 1 . . . . 115 L HA . 19188 1 658 . 1 1 119 119 LEU C C 13 176.309 0.3 . 1 . . . . 115 L C . 19188 1 659 . 1 1 119 119 LEU CA C 13 54.389 0.3 . 1 . . . . 115 L CA . 19188 1 660 . 1 1 119 119 LEU CB C 13 44.807 0.3 . 1 . . . . 115 L CB . 19188 1 661 . 1 1 119 119 LEU N N 15 127.795 0.2 . 1 . . . . 115 L N . 19188 1 662 . 1 1 120 120 GLY H H 1 9.068 0.02 . 1 . . . . 116 G H . 19188 1 663 . 1 1 120 120 GLY HA2 H 1 3.435 0.02 . 2 . . . . 116 G HA2 . 19188 1 664 . 1 1 120 120 GLY HA3 H 1 3.741 0.02 . 2 . . . . 116 G HA3 . 19188 1 665 . 1 1 120 120 GLY C C 13 174.496 0.3 . 1 . . . . 116 G C . 19188 1 666 . 1 1 120 120 GLY CA C 13 47.475 0.3 . 1 . . . . 116 G CA . 19188 1 667 . 1 1 120 120 GLY N N 15 116.456 0.2 . 1 . . . . 116 G N . 19188 1 668 . 1 1 121 121 ASP H H 1 8.5 0.02 . 1 . . . . 117 D H . 19188 1 669 . 1 1 121 121 ASP HA H 1 4.398 0.02 . 1 . . . . 117 D HA . 19188 1 670 . 1 1 121 121 ASP C C 13 175.818 0.3 . 1 . . . . 117 D C . 19188 1 671 . 1 1 121 121 ASP CA C 13 54.221 0.3 . 1 . . . . 117 D CA . 19188 1 672 . 1 1 121 121 ASP CB C 13 40.886 0.3 . 1 . . . . 117 D CB . 19188 1 673 . 1 1 121 121 ASP N N 15 125.103 0.2 . 1 . . . . 117 D N . 19188 1 674 . 1 1 122 122 ILE H H 1 8.275 0.02 . 1 . . . . 118 I H . 19188 1 675 . 1 1 122 122 ILE HA H 1 3.771 0.02 . 1 . . . . 118 I HA . 19188 1 676 . 1 1 122 122 ILE C C 13 174.547 0.3 . 1 . . . . 118 I C . 19188 1 677 . 1 1 122 122 ILE CA C 13 62.126 0.3 . 1 . . . . 118 I CA . 19188 1 678 . 1 1 122 122 ILE CB C 13 39.049 0.3 . 1 . . . . 118 I CB . 19188 1 679 . 1 1 122 122 ILE N N 15 121.229 0.2 . 1 . . . . 118 I N . 19188 1 680 . 1 1 123 123 VAL H H 1 8.19 0.02 . 1 . . . . 119 V H . 19188 1 681 . 1 1 123 123 VAL HA H 1 4.378 0.02 . 1 . . . . 119 V HA . 19188 1 682 . 1 1 123 123 VAL C C 13 175.406 0.3 . 1 . . . . 119 V C . 19188 1 683 . 1 1 123 123 VAL CA C 13 61.929 0.3 . 1 . . . . 119 V CA . 19188 1 684 . 1 1 123 123 VAL CB C 13 31.815 0.3 . 1 . . . . 119 V CB . 19188 1 685 . 1 1 123 123 VAL N N 15 126.218 0.2 . 1 . . . . 119 V N . 19188 1 686 . 1 1 124 124 PHE H H 1 9.317 0.02 . 1 . . . . 120 F H . 19188 1 687 . 1 1 124 124 PHE HA H 1 5.417 0.02 . 1 . . . . 120 F HA . 19188 1 688 . 1 1 124 124 PHE C C 13 174.037 0.3 . 1 . . . . 120 F C . 19188 1 689 . 1 1 124 124 PHE CA C 13 53.705 0.3 . 1 . . . . 120 F CA . 19188 1 690 . 1 1 124 124 PHE CB C 13 40.327 0.3 . 1 . . . . 120 F CB . 19188 1 691 . 1 1 124 124 PHE N N 15 130.052 0.2 . 1 . . . . 120 F N . 19188 1 692 . 1 1 125 125 LYS H H 1 8.02 0.02 . 1 . . . . 121 K H . 19188 1 693 . 1 1 125 125 LYS HA H 1 5.096 0.02 . 1 . . . . 121 K HA . 19188 1 694 . 1 1 125 125 LYS C C 13 174.37 0.3 . 1 . . . . 121 K C . 19188 1 695 . 1 1 125 125 LYS CA C 13 55.001 0.3 . 1 . . . . 121 K CA . 19188 1 696 . 1 1 125 125 LYS CB C 13 36.883 0.3 . 1 . . . . 121 K CB . 19188 1 697 . 1 1 125 125 LYS N N 15 129.59 0.2 . 1 . . . . 121 K N . 19188 1 698 . 1 1 126 126 ARG H H 1 8.702 0.02 . 1 . . . . 122 R H . 19188 1 699 . 1 1 126 126 ARG HA H 1 4.613 0.02 . 1 . . . . 122 R HA . 19188 1 700 . 1 1 126 126 ARG C C 13 175.172 0.3 . 1 . . . . 122 R C . 19188 1 701 . 1 1 126 126 ARG CA C 13 55.021 0.3 . 1 . . . . 122 R CA . 19188 1 702 . 1 1 126 126 ARG CB C 13 35.714 0.3 . 1 . . . . 122 R CB . 19188 1 703 . 1 1 126 126 ARG N N 15 124.287 0.2 . 1 . . . . 122 R N . 19188 1 704 . 1 1 127 127 ILE H H 1 8.586 0.02 . 1 . . . . 123 I H . 19188 1 705 . 1 1 127 127 ILE C C 13 175.328 0.3 . 1 . . . . 123 I C . 19188 1 706 . 1 1 127 127 ILE CA C 13 61.21 0.3 . 1 . . . . 123 I CA . 19188 1 707 . 1 1 127 127 ILE CB C 13 40.047 0.3 . 1 . . . . 123 I CB . 19188 1 708 . 1 1 127 127 ILE N N 15 123.074 0.2 . 1 . . . . 123 I N . 19188 1 709 . 1 1 128 128 SER H H 1 9.08 0.02 . 1 . . . . 124 S H . 19188 1 710 . 1 1 128 128 SER HA H 1 5.192 0.02 . 1 . . . . 124 S HA . 19188 1 711 . 1 1 128 128 SER C C 13 170.98 0.3 . 1 . . . . 124 S C . 19188 1 712 . 1 1 128 128 SER CA C 13 58.279 0.3 . 1 . . . . 124 S CA . 19188 1 713 . 1 1 128 128 SER CB C 13 65.763 0.3 . 1 . . . . 124 S CB . 19188 1 714 . 1 1 128 128 SER N N 15 121.726 0.2 . 1 . . . . 124 S N . 19188 1 715 . 1 1 129 129 LYS H H 1 8.391 0.02 . 1 . . . . 125 K H . 19188 1 716 . 1 1 129 129 LYS HA H 1 5.348 0.02 . 1 . . . . 125 K HA . 19188 1 717 . 1 1 129 129 LYS C C 13 175.596 0.3 . 1 . . . . 125 K C . 19188 1 718 . 1 1 129 129 LYS CA C 13 54.414 0.3 . 1 . . . . 125 K CA . 19188 1 719 . 1 1 129 129 LYS CB C 13 37.112 0.3 . 1 . . . . 125 K CB . 19188 1 720 . 1 1 129 129 LYS N N 15 121.279 0.2 . 1 . . . . 125 K N . 19188 1 721 . 1 1 130 130 ARG H H 1 9.204 0.02 . 1 . . . . 126 R H . 19188 1 722 . 1 1 130 130 ARG HA H 1 3.884 0.02 . 1 . . . . 126 R HA . 19188 1 723 . 1 1 130 130 ARG C C 13 175.667 0.3 . 1 . . . . 126 R C . 19188 1 724 . 1 1 130 130 ARG CA C 13 57.321 0.3 . 1 . . . . 126 R CA . 19188 1 725 . 1 1 130 130 ARG CB C 13 31.388 0.3 . 1 . . . . 126 R CB . 19188 1 726 . 1 1 130 130 ARG N N 15 128.203 0.2 . 1 . . . . 126 R N . 19188 1 727 . 1 1 131 131 ILE H H 1 8.589 0.02 . 1 . . . . 127 I H . 19188 1 728 . 1 1 131 131 ILE HA H 1 3.946 0.02 . 1 . . . . 127 I HA . 19188 1 729 . 1 1 131 131 ILE C C 13 175.604 0.3 . 1 . . . . 127 I C . 19188 1 730 . 1 1 131 131 ILE CA C 13 61.164 0.3 . 1 . . . . 127 I CA . 19188 1 731 . 1 1 131 131 ILE CB C 13 39.374 0.3 . 1 . . . . 127 I CB . 19188 1 732 . 1 1 131 131 ILE N N 15 125.1 0.2 . 1 . . . . 127 I N . 19188 1 733 . 1 1 132 132 LEU H H 1 8.156 0.02 . 1 . . . . 128 L H . 19188 1 734 . 1 1 132 132 LEU HA H 1 4.235 0.02 . 1 . . . . 128 L HA . 19188 1 735 . 1 1 132 132 LEU C C 13 176.521 0.3 . 1 . . . . 128 L C . 19188 1 736 . 1 1 132 132 LEU CA C 13 54.829 0.3 . 1 . . . . 128 L CA . 19188 1 737 . 1 1 132 132 LEU CB C 13 42.587 0.3 . 1 . . . . 128 L CB . 19188 1 738 . 1 1 132 132 LEU N N 15 125.926 0.2 . 1 . . . . 128 L N . 19188 1 739 . 1 1 133 133 VAL H H 1 7.939 0.02 . 1 . . . . 129 V H . 19188 1 740 . 1 1 133 133 VAL CA C 13 59.664 0.3 . 1 . . . . 129 V CA . 19188 1 741 . 1 1 133 133 VAL CB C 13 32.731 0.3 . 1 . . . . 129 V CB . 19188 1 742 . 1 1 133 133 VAL N N 15 121.805 0.2 . 1 . . . . 129 V N . 19188 1 743 . 1 1 134 134 PRO HA H 1 4.483 0.02 . 1 . . . . 130 P HA . 19188 1 744 . 1 1 134 134 PRO C C 13 175.263 0.3 . 1 . . . . 130 P C . 19188 1 745 . 1 1 134 134 PRO CA C 13 63.251 0.3 . 1 . . . . 130 P CA . 19188 1 746 . 1 1 134 134 PRO CB C 13 34.184 0.3 . 1 . . . . 130 P CB . 19188 1 747 . 1 1 135 135 ARG H H 1 7.834 0.02 . 1 . . . . 131 R H . 19188 1 748 . 1 1 135 135 ARG CA C 13 57.841 0.3 . 1 . . . . 131 R CA . 19188 1 749 . 1 1 135 135 ARG CB C 13 31.082 0.3 . 1 . . . . 131 R CB . 19188 1 750 . 1 1 135 135 ARG N N 15 124.04 0.2 . 1 . . . . 131 R N . 19188 1 stop_ save_