################################### # 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 27187 _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' . . . 27187 1 2 '3D HNCACB' . . . 27187 1 3 '3D HNCA' . . . 27187 1 4 '3D HNCO' . . . 27187 1 5 '3D HN(CO)CA' . . . 27187 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 3 3 PRO C C 13 177.192 0.00 . . . . . . . 2 PRO C . 27187 1 2 . 1 1 3 3 PRO CA C 13 62.428 0.00 . . . . . . . 2 PRO CA . 27187 1 3 . 1 1 3 3 PRO CB C 13 31.278 0.00 . . . . . . . 2 PRO CB . 27187 1 4 . 1 1 4 4 LYS H H 1 8.343 0.00 . . . . . . . 3 LYS H . 27187 1 5 . 1 1 4 4 LYS C C 13 177.162 0.00 . . . . . . . 3 LYS C . 27187 1 6 . 1 1 4 4 LYS CA C 13 56.126 0.00 . . . . . . . 3 LYS CA . 27187 1 7 . 1 1 4 4 LYS CB C 13 32.069 0.00 . . . . . . . 3 LYS CB . 27187 1 8 . 1 1 4 4 LYS N N 15 121.792 0.01 . . . . . . . 3 LYS N . 27187 1 9 . 1 1 7 7 GLY C C 13 177.744 0.00 . . . . . . . 6 GLY C . 27187 1 10 . 1 1 8 8 LYS H H 1 8.037 0.00 . . . . . . . 7 LYS H . 27187 1 11 . 1 1 8 8 LYS C C 13 176.71 0.00 . . . . . . . 7 LYS C . 27187 1 12 . 1 1 8 8 LYS CA C 13 56.053 0.00 . . . . . . . 7 LYS CA . 27187 1 13 . 1 1 8 8 LYS CB C 13 32.113 0.00 . . . . . . . 7 LYS CB . 27187 1 14 . 1 1 8 8 LYS N N 15 119.812 0.00 . . . . . . . 7 LYS N . 27187 1 15 . 1 1 9 9 ALA H H 1 8.202 0.00 . . . . . . . 8 ALA H . 27187 1 16 . 1 1 9 9 ALA C C 13 177.637 0.00 . . . . . . . 8 ALA C . 27187 1 17 . 1 1 9 9 ALA CA C 13 52.031 0.00 . . . . . . . 8 ALA CA . 27187 1 18 . 1 1 9 9 ALA CB C 13 18.415 0.03 . . . . . . . 8 ALA CB . 27187 1 19 . 1 1 9 9 ALA N N 15 125.265 0.01 . . . . . . . 8 ALA N . 27187 1 20 . 1 1 10 10 ALA H H 1 8.108 0.00 . . . . . . . 9 ALA H . 27187 1 21 . 1 1 10 10 ALA C C 13 177.92 0.01 . . . . . . . 9 ALA C . 27187 1 22 . 1 1 10 10 ALA CA C 13 51.985 0.01 . . . . . . . 9 ALA CA . 27187 1 23 . 1 1 10 10 ALA CB C 13 18.486 0.03 . . . . . . . 9 ALA CB . 27187 1 24 . 1 1 10 10 ALA N N 15 123.866 0.01 . . . . . . . 9 ALA N . 27187 1 25 . 1 1 11 11 LYS H H 1 8.139 0.00 . . . . . . . 10 LYS H . 27187 1 26 . 1 1 11 11 LYS C C 13 176.791 0.00 . . . . . . . 10 LYS C . 27187 1 27 . 1 1 11 11 LYS CA C 13 55.923 0.00 . . . . . . . 10 LYS CA . 27187 1 28 . 1 1 11 11 LYS CB C 13 32.126 0.00 . . . . . . . 10 LYS CB . 27187 1 29 . 1 1 11 11 LYS N N 15 121.2 0.03 . . . . . . . 10 LYS N . 27187 1 30 . 1 1 12 12 LYS H H 1 8.233 0.00 . . . . . . . 11 LYS H . 27187 1 31 . 1 1 12 12 LYS C C 13 176.387 0.04 . . . . . . . 11 LYS C . 27187 1 32 . 1 1 12 12 LYS CA C 13 55.824 0.01 . . . . . . . 11 LYS CA . 27187 1 33 . 1 1 12 12 LYS CB C 13 32.17 0.06 . . . . . . . 11 LYS CB . 27187 1 34 . 1 1 12 12 LYS N N 15 123.311 0.00 . . . . . . . 11 LYS N . 27187 1 35 . 1 1 13 13 ALA H H 1 8.253 0.00 . . . . . . . 12 ALA H . 27187 1 36 . 1 1 13 13 ALA C C 13 178.269 0.00 . . . . . . . 12 ALA C . 27187 1 37 . 1 1 13 13 ALA CA C 13 52.119 0.02 . . . . . . . 12 ALA CA . 27187 1 38 . 1 1 13 13 ALA CB C 13 18.651 0.07 . . . . . . . 12 ALA CB . 27187 1 39 . 1 1 13 13 ALA N N 15 125.996 0.01 . . . . . . . 12 ALA N . 27187 1 40 . 1 1 14 14 GLY H H 1 8.255 0.00 . . . . . . . 13 GLY H . 27187 1 41 . 1 1 14 14 GLY C C 13 174.236 0.00 . . . . . . . 13 GLY C . 27187 1 42 . 1 1 14 14 GLY CA C 13 44.817 0.04 . . . . . . . 13 GLY CA . 27187 1 43 . 1 1 14 14 GLY N N 15 108.71 0.01 . . . . . . . 13 GLY N . 27187 1 44 . 1 1 15 15 LYS H H 1 8.124 0.00 . . . . . . . 14 LYS H . 27187 1 45 . 1 1 15 15 LYS C C 13 176.623 0.00 . . . . . . . 14 LYS C . 27187 1 46 . 1 1 15 15 LYS CA C 13 55.844 0.05 . . . . . . . 14 LYS CA . 27187 1 47 . 1 1 15 15 LYS CB C 13 32.235 0.01 . . . . . . . 14 LYS CB . 27187 1 48 . 1 1 15 15 LYS N N 15 121.429 0.01 . . . . . . . 14 LYS N . 27187 1 49 . 1 1 16 16 ALA H H 1 8.273 0.00 . . . . . . . 15 ALA H . 27187 1 50 . 1 1 16 16 ALA C C 13 177.799 0.01 . . . . . . . 15 ALA C . 27187 1 51 . 1 1 16 16 ALA CA C 13 52.095 0.02 . . . . . . . 15 ALA CA . 27187 1 52 . 1 1 16 16 ALA CB C 13 18.405 0.06 . . . . . . . 15 ALA CB . 27187 1 53 . 1 1 16 16 ALA N N 15 125.566 0.00 . . . . . . . 15 ALA N . 27187 1 54 . 1 1 17 17 GLN H H 1 8.251 0.00 . . . . . . . 16 GLN H . 27187 1 55 . 1 1 17 17 GLN C C 13 176.031 0.02 . . . . . . . 16 GLN C . 27187 1 56 . 1 1 17 17 GLN CA C 13 55.374 0.02 . . . . . . . 16 GLN CA . 27187 1 57 . 1 1 17 17 GLN CB C 13 28.864 0.06 . . . . . . . 16 GLN CB . 27187 1 58 . 1 1 17 17 GLN N N 15 120.437 0.00 . . . . . . . 16 GLN N . 27187 1 59 . 1 1 18 18 LYS H H 1 8.261 0.00 . . . . . . . 17 LYS H . 27187 1 60 . 1 1 18 18 LYS C C 13 176.199 0.00 . . . . . . . 17 LYS C . 27187 1 61 . 1 1 18 18 LYS CA C 13 55.931 0.03 . . . . . . . 17 LYS CA . 27187 1 62 . 1 1 18 18 LYS CB C 13 32.343 0.00 . . . . . . . 17 LYS CB . 27187 1 63 . 1 1 18 18 LYS N N 15 122.907 0.01 . . . . . . . 17 LYS N . 27187 1 64 . 1 1 19 19 ASN C C 13 175.112 0.00 . . . . . . . 18 ASN C . 27187 1 65 . 1 1 19 19 ASN CA C 13 52.941 0.01 . . . . . . . 18 ASN CA . 27187 1 66 . 1 1 19 19 ASN CB C 13 38.336 0.04 . . . . . . . 18 ASN CB . 27187 1 67 . 1 1 20 20 ILE H H 1 8.088 0.00 . . . . . . . 19 ILE H . 27187 1 68 . 1 1 20 20 ILE C C 13 176.508 0.01 . . . . . . . 19 ILE C . 27187 1 69 . 1 1 20 20 ILE CA C 13 60.768 0.01 . . . . . . . 19 ILE CA . 27187 1 70 . 1 1 20 20 ILE CB C 13 37.869 0.04 . . . . . . . 19 ILE CB . 27187 1 71 . 1 1 20 20 ILE N N 15 121.805 0.00 . . . . . . . 19 ILE N . 27187 1 72 . 1 1 21 21 THR H H 1 8.206 0.00 . . . . . . . 20 THR H . 27187 1 73 . 1 1 21 21 THR C C 13 174.55 0.01 . . . . . . . 20 THR C . 27187 1 74 . 1 1 21 21 THR CA C 13 61.618 0.01 . . . . . . . 20 THR CA . 27187 1 75 . 1 1 21 21 THR CB C 13 69.404 0.00 . . . . . . . 20 THR CB . 27187 1 76 . 1 1 21 21 THR N N 15 119.264 0.01 . . . . . . . 20 THR N . 27187 1 77 . 1 1 22 22 LYS H H 1 8.322 0.00 . . . . . . . 21 LYS H . 27187 1 78 . 1 1 22 22 LYS CA C 13 59.2 0.00 . . . . . . . 21 LYS CA . 27187 1 79 . 1 1 22 22 LYS N N 15 124.704 0.01 . . . . . . . 21 LYS N . 27187 1 80 . 1 1 23 23 THR H H 1 8.034 0.00 . . . . . . . 22 THR H . 27187 1 81 . 1 1 23 23 THR N N 15 115.656 0.00 . . . . . . . 22 THR N . 27187 1 82 . 1 1 24 24 ASP C C 13 176.502 0.00 . . . . . . . 23 ASP C . 27187 1 83 . 1 1 24 24 ASP CA C 13 53.96 0.03 . . . . . . . 23 ASP CA . 27187 1 84 . 1 1 24 24 ASP CB C 13 40.816 0.05 . . . . . . . 23 ASP CB . 27187 1 85 . 1 1 25 25 LYS H H 1 8.233 0.00 . . . . . . . 24 LYS H . 27187 1 86 . 1 1 25 25 LYS C C 13 176.967 0.00 . . . . . . . 24 LYS C . 27187 1 87 . 1 1 25 25 LYS CA C 13 56.241 0.01 . . . . . . . 24 LYS CA . 27187 1 88 . 1 1 25 25 LYS CB C 13 31.853 0.02 . . . . . . . 24 LYS CB . 27187 1 89 . 1 1 25 25 LYS N N 15 122.622 0.01 . . . . . . . 24 LYS N . 27187 1 90 . 1 1 26 26 LYS H H 1 8.203 0.00 . . . . . . . 25 LYS H . 27187 1 91 . 1 1 26 26 LYS C C 13 176.901 0.00 . . . . . . . 25 LYS C . 27187 1 92 . 1 1 26 26 LYS CA C 13 56.165 0.00 . . . . . . . 25 LYS CA . 27187 1 93 . 1 1 26 26 LYS CB C 13 31.852 0.04 . . . . . . . 25 LYS CB . 27187 1 94 . 1 1 26 26 LYS N N 15 121.973 0.01 . . . . . . . 25 LYS N . 27187 1 95 . 1 1 27 27 LYS H H 1 8.117 0.00 . . . . . . . 26 LYS H . 27187 1 96 . 1 1 27 27 LYS C C 13 176.691 0.01 . . . . . . . 26 LYS C . 27187 1 97 . 1 1 27 27 LYS CA C 13 55.959 0.01 . . . . . . . 26 LYS CA . 27187 1 98 . 1 1 27 27 LYS CB C 13 32.078 0.01 . . . . . . . 26 LYS CB . 27187 1 99 . 1 1 27 27 LYS N N 15 122.677 0.00 . . . . . . . 26 LYS N . 27187 1 100 . 1 1 28 28 LYS H H 1 8.228 0.00 . . . . . . . 27 LYS H . 27187 1 101 . 1 1 28 28 LYS C C 13 176.607 0.00 . . . . . . . 27 LYS C . 27187 1 102 . 1 1 28 28 LYS CA C 13 55.838 0.01 . . . . . . . 27 LYS CA . 27187 1 103 . 1 1 28 28 LYS CB C 13 32.138 0.03 . . . . . . . 27 LYS CB . 27187 1 104 . 1 1 28 28 LYS N N 15 123.459 0.02 . . . . . . . 27 LYS N . 27187 1 105 . 1 1 29 29 ARG H H 1 8.315 0.00 . . . . . . . 28 ARG H . 27187 1 106 . 1 1 29 29 ARG C C 13 176.276 0.03 . . . . . . . 28 ARG C . 27187 1 107 . 1 1 29 29 ARG CA C 13 55.546 0.02 . . . . . . . 28 ARG CA . 27187 1 108 . 1 1 29 29 ARG CB C 13 30.011 0.00 . . . . . . . 28 ARG CB . 27187 1 109 . 1 1 29 29 ARG N N 15 123.561 0.02 . . . . . . . 28 ARG N . 27187 1 110 . 1 1 30 30 LYS H H 1 8.363 0.00 . . . . . . . 29 LYS H . 27187 1 111 . 1 1 30 30 LYS C C 13 176.484 0.01 . . . . . . . 29 LYS C . 27187 1 112 . 1 1 30 30 LYS CA C 13 55.808 0.03 . . . . . . . 29 LYS CA . 27187 1 113 . 1 1 30 30 LYS CB C 13 32.244 0.02 . . . . . . . 29 LYS CB . 27187 1 114 . 1 1 30 30 LYS N N 15 124.219 0.02 . . . . . . . 29 LYS N . 27187 1 115 . 1 1 31 31 ARG H H 1 8.413 0.00 . . . . . . . 30 ARG H . 27187 1 116 . 1 1 31 31 ARG C C 13 176.18 0.00 . . . . . . . 30 ARG C . 27187 1 117 . 1 1 31 31 ARG CA C 13 55.582 0.02 . . . . . . . 30 ARG CA . 27187 1 118 . 1 1 31 31 ARG CB C 13 30.096 0.04 . . . . . . . 30 ARG CB . 27187 1 119 . 1 1 31 31 ARG N N 15 124.103 0.01 . . . . . . . 30 ARG N . 27187 1 120 . 1 1 32 32 LYS H H 1 8.355 0.00 . . . . . . . 31 LYS H . 27187 1 121 . 1 1 32 32 LYS C C 13 176.403 0.01 . . . . . . . 31 LYS C . 27187 1 122 . 1 1 32 32 LYS CA C 13 55.342 0.03 . . . . . . . 31 LYS CA . 27187 1 123 . 1 1 32 32 LYS CB C 13 32.379 0.03 . . . . . . . 31 LYS CB . 27187 1 124 . 1 1 32 32 LYS N N 15 123.619 0.01 . . . . . . . 31 LYS N . 27187 1 125 . 1 1 33 33 GLU H H 1 8.17 0.00 . . . . . . . 32 GLU H . 27187 1 126 . 1 1 33 33 GLU C C 13 176.405 0.00 . . . . . . . 32 GLU C . 27187 1 127 . 1 1 33 33 GLU CA C 13 55.336 0.02 . . . . . . . 32 GLU CA . 27187 1 128 . 1 1 33 33 GLU CB C 13 29.613 0.03 . . . . . . . 32 GLU CB . 27187 1 129 . 1 1 33 33 GLU N N 15 124.129 0.01 . . . . . . . 32 GLU N . 27187 1 130 . 1 1 34 34 SER H H 1 8.637 0.00 . . . . . . . 33 SER H . 27187 1 131 . 1 1 34 34 SER C C 13 175.93 0.00 . . . . . . . 33 SER C . 27187 1 132 . 1 1 34 34 SER CA C 13 56.823 0.02 . . . . . . . 33 SER CA . 27187 1 133 . 1 1 34 34 SER CB C 13 62.668 0.03 . . . . . . . 33 SER CB . 27187 1 134 . 1 1 34 34 SER N N 15 117.819 0.01 . . . . . . . 33 SER N . 27187 1 135 . 1 1 35 35 TYR H H 1 9.753 0.00 . . . . . . . 34 TYR H . 27187 1 136 . 1 1 35 35 TYR C C 13 176.049 0.01 . . . . . . . 34 TYR C . 27187 1 137 . 1 1 35 35 TYR CA C 13 57.284 0.06 . . . . . . . 34 TYR CA . 27187 1 138 . 1 1 35 35 TYR CB C 13 37.298 0.03 . . . . . . . 34 TYR CB . 27187 1 139 . 1 1 35 35 TYR N N 15 127.249 0.01 . . . . . . . 34 TYR N . 27187 1 140 . 1 1 36 36 ALA H H 1 7.736 0.00 . . . . . . . 35 ALA H . 27187 1 141 . 1 1 36 36 ALA C C 13 178.743 0.00 . . . . . . . 35 ALA C . 27187 1 142 . 1 1 36 36 ALA CA C 13 56.58 0.02 . . . . . . . 35 ALA CA . 27187 1 143 . 1 1 36 36 ALA CB C 13 18.001 0.04 . . . . . . . 35 ALA CB . 27187 1 144 . 1 1 36 36 ALA N N 15 125.101 0.01 . . . . . . . 35 ALA N . 27187 1 145 . 1 1 37 37 ILE H H 1 8.236 0.00 . . . . . . . 36 ILE H . 27187 1 146 . 1 1 37 37 ILE C C 13 177.173 0.00 . . . . . . . 36 ILE C . 27187 1 147 . 1 1 37 37 ILE CA C 13 63.963 0.04 . . . . . . . 36 ILE CA . 27187 1 148 . 1 1 37 37 ILE CB C 13 36.724 0.02 . . . . . . . 36 ILE CB . 27187 1 149 . 1 1 37 37 ILE N N 15 114.142 0.01 . . . . . . . 36 ILE N . 27187 1 150 . 1 1 38 38 TYR H H 1 6.579 0.00 . . . . . . . 37 TYR H . 27187 1 151 . 1 1 38 38 TYR C C 13 178.019 0.01 . . . . . . . 37 TYR C . 27187 1 152 . 1 1 38 38 TYR CA C 13 58.822 0.00 . . . . . . . 37 TYR CA . 27187 1 153 . 1 1 38 38 TYR CB C 13 36.852 0.01 . . . . . . . 37 TYR CB . 27187 1 154 . 1 1 38 38 TYR N N 15 120.509 0.02 . . . . . . . 37 TYR N . 27187 1 155 . 1 1 39 39 ILE H H 1 8.334 0.00 . . . . . . . 38 ILE H . 27187 1 156 . 1 1 39 39 ILE C C 13 177.841 0.01 . . . . . . . 38 ILE C . 27187 1 157 . 1 1 39 39 ILE CA C 13 65.53 0.02 . . . . . . . 38 ILE CA . 27187 1 158 . 1 1 39 39 ILE CB C 13 36.487 0.03 . . . . . . . 38 ILE CB . 27187 1 159 . 1 1 39 39 ILE N N 15 120.222 0.01 . . . . . . . 38 ILE N . 27187 1 160 . 1 1 40 40 TYR H H 1 8.431 0.00 . . . . . . . 39 TYR H . 27187 1 161 . 1 1 40 40 TYR C C 13 177.78 0.01 . . . . . . . 39 TYR C . 27187 1 162 . 1 1 40 40 TYR CA C 13 62.014 0.02 . . . . . . . 39 TYR CA . 27187 1 163 . 1 1 40 40 TYR CB C 13 37.366 0.02 . . . . . . . 39 TYR CB . 27187 1 164 . 1 1 40 40 TYR N N 15 119.345 0.01 . . . . . . . 39 TYR N . 27187 1 165 . 1 1 41 41 LYS H H 1 7.37 0.00 . . . . . . . 40 LYS H . 27187 1 166 . 1 1 41 41 LYS C C 13 179.771 0.01 . . . . . . . 40 LYS C . 27187 1 167 . 1 1 41 41 LYS CA C 13 59.648 0.02 . . . . . . . 40 LYS CA . 27187 1 168 . 1 1 41 41 LYS CB C 13 31.529 0.05 . . . . . . . 40 LYS CB . 27187 1 169 . 1 1 41 41 LYS N N 15 117.369 0.01 . . . . . . . 40 LYS N . 27187 1 170 . 1 1 42 42 VAL H H 1 7.865 0.00 . . . . . . . 41 VAL H . 27187 1 171 . 1 1 42 42 VAL C C 13 178.401 0.02 . . . . . . . 41 VAL C . 27187 1 172 . 1 1 42 42 VAL CA C 13 65.801 0.02 . . . . . . . 41 VAL CA . 27187 1 173 . 1 1 42 42 VAL CB C 13 30.668 0.03 . . . . . . . 41 VAL CB . 27187 1 174 . 1 1 42 42 VAL N N 15 120.216 0.01 . . . . . . . 41 VAL N . 27187 1 175 . 1 1 43 43 LEU H H 1 8.472 0.00 . . . . . . . 42 LEU H . 27187 1 176 . 1 1 43 43 LEU C C 13 177.5 0.03 . . . . . . . 42 LEU C . 27187 1 177 . 1 1 43 43 LEU CA C 13 57.763 0.02 . . . . . . . 42 LEU CA . 27187 1 178 . 1 1 43 43 LEU CB C 13 39.851 0.01 . . . . . . . 42 LEU CB . 27187 1 179 . 1 1 43 43 LEU N N 15 121.661 0.01 . . . . . . . 42 LEU N . 27187 1 180 . 1 1 44 44 LYS H H 1 7.754 0.00 . . . . . . . 43 LYS H . 27187 1 181 . 1 1 44 44 LYS C C 13 177.846 0.00 . . . . . . . 43 LYS C . 27187 1 182 . 1 1 44 44 LYS CA C 13 57.032 0.01 . . . . . . . 43 LYS CA . 27187 1 183 . 1 1 44 44 LYS CB C 13 31.017 0.04 . . . . . . . 43 LYS CB . 27187 1 184 . 1 1 44 44 LYS N N 15 115.198 0.01 . . . . . . . 43 LYS N . 27187 1 185 . 1 1 45 45 GLN H H 1 7.33 0.00 . . . . . . . 44 GLN H . 27187 1 186 . 1 1 45 45 GLN C C 13 177.793 0.00 . . . . . . . 44 GLN C . 27187 1 187 . 1 1 45 45 GLN CA C 13 57.455 0.01 . . . . . . . 44 GLN CA . 27187 1 188 . 1 1 45 45 GLN CB C 13 28.541 0.02 . . . . . . . 44 GLN CB . 27187 1 189 . 1 1 45 45 GLN N N 15 115.333 0.01 . . . . . . . 44 GLN N . 27187 1 190 . 1 1 46 46 VAL H H 1 7.518 0.00 . . . . . . . 45 VAL H . 27187 1 191 . 1 1 46 46 VAL C C 13 175.642 0.01 . . . . . . . 45 VAL C . 27187 1 192 . 1 1 46 46 VAL CA C 13 63.185 0.02 . . . . . . . 45 VAL CA . 27187 1 193 . 1 1 46 46 VAL CB C 13 32.182 0.09 . . . . . . . 45 VAL CB . 27187 1 194 . 1 1 46 46 VAL N N 15 113.412 0.01 . . . . . . . 45 VAL N . 27187 1 195 . 1 1 47 47 HIS H H 1 8.823 0.00 . . . . . . . 46 HIS H . 27187 1 196 . 1 1 47 47 HIS C C 13 172.901 0.00 . . . . . . . 46 HIS C . 27187 1 197 . 1 1 47 47 HIS CA C 13 53.96 0.02 . . . . . . . 46 HIS CA . 27187 1 198 . 1 1 47 47 HIS N N 15 119.522 0.01 . . . . . . . 46 HIS N . 27187 1 199 . 1 1 48 48 PRO C C 13 177.577 0.01 . . . . . . . 47 PRO C . 27187 1 200 . 1 1 48 48 PRO CA C 13 64.962 0.02 . . . . . . . 47 PRO CA . 27187 1 201 . 1 1 48 48 PRO CB C 13 31.521 0.02 . . . . . . . 47 PRO CB . 27187 1 202 . 1 1 49 49 ASP H H 1 8.384 0.00 . . . . . . . 48 ASP H . 27187 1 203 . 1 1 49 49 ASP C C 13 176.246 0.02 . . . . . . . 48 ASP C . 27187 1 204 . 1 1 49 49 ASP CA C 13 53.355 0.01 . . . . . . . 48 ASP CA . 27187 1 205 . 1 1 49 49 ASP CB C 13 40.687 0.01 . . . . . . . 48 ASP CB . 27187 1 206 . 1 1 49 49 ASP N N 15 115.724 0.01 . . . . . . . 48 ASP N . 27187 1 207 . 1 1 50 50 THR H H 1 7.709 0.00 . . . . . . . 49 THR H . 27187 1 208 . 1 1 50 50 THR C C 13 173.803 0.01 . . . . . . . 49 THR C . 27187 1 209 . 1 1 50 50 THR CA C 13 62.421 0.02 . . . . . . . 49 THR CA . 27187 1 210 . 1 1 50 50 THR CB C 13 69.86 0.01 . . . . . . . 49 THR CB . 27187 1 211 . 1 1 50 50 THR N N 15 119.073 0.01 . . . . . . . 49 THR N . 27187 1 212 . 1 1 51 51 GLY H H 1 8.519 0.00 . . . . . . . 50 GLY H . 27187 1 213 . 1 1 51 51 GLY C C 13 173.189 0.01 . . . . . . . 50 GLY C . 27187 1 214 . 1 1 51 51 GLY CA C 13 43.234 0.02 . . . . . . . 50 GLY CA . 27187 1 215 . 1 1 51 51 GLY N N 15 113.257 0.01 . . . . . . . 50 GLY N . 27187 1 216 . 1 1 52 52 ILE H H 1 8.782 0.00 . . . . . . . 51 ILE H . 27187 1 217 . 1 1 52 52 ILE C C 13 173.21 0.01 . . . . . . . 51 ILE C . 27187 1 218 . 1 1 52 52 ILE CA C 13 59.627 0.01 . . . . . . . 51 ILE CA . 27187 1 219 . 1 1 52 52 ILE CB C 13 40.043 0.04 . . . . . . . 51 ILE CB . 27187 1 220 . 1 1 52 52 ILE N N 15 117.939 0.01 . . . . . . . 51 ILE N . 27187 1 221 . 1 1 53 53 SER H H 1 8.97 0.00 . . . . . . . 52 SER H . 27187 1 222 . 1 1 53 53 SER C C 13 175.062 0.00 . . . . . . . 52 SER C . 27187 1 223 . 1 1 53 53 SER CA C 13 57.341 0.01 . . . . . . . 52 SER CA . 27187 1 224 . 1 1 53 53 SER CB C 13 64.928 0.00 . . . . . . . 52 SER CB . 27187 1 225 . 1 1 53 53 SER N N 15 125.091 0.01 . . . . . . . 52 SER N . 27187 1 226 . 1 1 54 54 SER H H 1 7.831 0.00 . . . . . . . 53 SER H . 27187 1 227 . 1 1 54 54 SER N N 15 113.133 0.00 . . . . . . . 53 SER N . 27187 1 228 . 1 1 55 55 LYS C C 13 179.734 0.01 . . . . . . . 54 LYS C . 27187 1 229 . 1 1 55 55 LYS CA C 13 58.692 0.01 . . . . . . . 54 LYS CA . 27187 1 230 . 1 1 55 55 LYS CB C 13 31.555 0.02 . . . . . . . 54 LYS CB . 27187 1 231 . 1 1 56 56 ALA H H 1 7.567 0.00 . . . . . . . 55 ALA H . 27187 1 232 . 1 1 56 56 ALA C C 13 178.92 0.00 . . . . . . . 55 ALA C . 27187 1 233 . 1 1 56 56 ALA CA C 13 54.573 0.01 . . . . . . . 55 ALA CA . 27187 1 234 . 1 1 56 56 ALA CB C 13 17.489 0.03 . . . . . . . 55 ALA CB . 27187 1 235 . 1 1 56 56 ALA N N 15 121.125 0.01 . . . . . . . 55 ALA N . 27187 1 236 . 1 1 57 57 MET H H 1 8.886 0.00 . . . . . . . 56 MET H . 27187 1 237 . 1 1 57 57 MET C C 13 178.078 0.01 . . . . . . . 56 MET C . 27187 1 238 . 1 1 57 57 MET CA C 13 57.11 0.01 . . . . . . . 56 MET CA . 27187 1 239 . 1 1 57 57 MET CB C 13 30.456 0.03 . . . . . . . 56 MET CB . 27187 1 240 . 1 1 57 57 MET N N 15 120.094 0.00 . . . . . . . 56 MET N . 27187 1 241 . 1 1 58 58 SER H H 1 8.035 0.00 . . . . . . . 57 SER H . 27187 1 242 . 1 1 58 58 SER C C 13 177.879 0.01 . . . . . . . 57 SER C . 27187 1 243 . 1 1 58 58 SER CA C 13 61.435 0.03 . . . . . . . 57 SER CA . 27187 1 244 . 1 1 58 58 SER CB C 13 62.079 0.09 . . . . . . . 57 SER CB . 27187 1 245 . 1 1 58 58 SER N N 15 116.144 0.00 . . . . . . . 57 SER N . 27187 1 246 . 1 1 59 59 ILE H H 1 7.498 0.00 . . . . . . . 58 ILE H . 27187 1 247 . 1 1 59 59 ILE C C 13 178.589 0.00 . . . . . . . 58 ILE C . 27187 1 248 . 1 1 59 59 ILE CA C 13 64.934 0.02 . . . . . . . 58 ILE CA . 27187 1 249 . 1 1 59 59 ILE CB C 13 36.85 0.02 . . . . . . . 58 ILE CB . 27187 1 250 . 1 1 59 59 ILE N N 15 123.07 0.01 . . . . . . . 58 ILE N . 27187 1 251 . 1 1 60 60 MET H H 1 8.126 0.00 . . . . . . . 59 MET H . 27187 1 252 . 1 1 60 60 MET C C 13 178.783 0.01 . . . . . . . 59 MET C . 27187 1 253 . 1 1 60 60 MET CA C 13 55.498 0.01 . . . . . . . 59 MET CA . 27187 1 254 . 1 1 60 60 MET CB C 13 28.911 0.03 . . . . . . . 59 MET CB . 27187 1 255 . 1 1 60 60 MET N N 15 118.8 0.02 . . . . . . . 59 MET N . 27187 1 256 . 1 1 61 61 ASN H H 1 9.116 0.00 . . . . . . . 60 ASN H . 27187 1 257 . 1 1 61 61 ASN C C 13 179.225 0.00 . . . . . . . 60 ASN C . 27187 1 258 . 1 1 61 61 ASN CA C 13 57.356 0.01 . . . . . . . 60 ASN CA . 27187 1 259 . 1 1 61 61 ASN CB C 13 39.46 0.02 . . . . . . . 60 ASN CB . 27187 1 260 . 1 1 61 61 ASN N N 15 119.429 0.01 . . . . . . . 60 ASN N . 27187 1 261 . 1 1 62 62 SER H H 1 8.441 0.00 . . . . . . . 61 SER H . 27187 1 262 . 1 1 62 62 SER C C 13 176.47 0.01 . . . . . . . 61 SER C . 27187 1 263 . 1 1 62 62 SER CA C 13 62.559 0.06 . . . . . . . 61 SER CA . 27187 1 264 . 1 1 62 62 SER CB C 13 61.829 0.05 . . . . . . . 61 SER CB . 27187 1 265 . 1 1 62 62 SER N N 15 119.183 0.01 . . . . . . . 61 SER N . 27187 1 266 . 1 1 63 63 PHE H H 1 8.508 0.00 . . . . . . . 62 PHE H . 27187 1 267 . 1 1 63 63 PHE C C 13 177.084 0.01 . . . . . . . 62 PHE C . 27187 1 268 . 1 1 63 63 PHE CA C 13 59.305 0.02 . . . . . . . 62 PHE CA . 27187 1 269 . 1 1 63 63 PHE CB C 13 37.604 0.03 . . . . . . . 62 PHE CB . 27187 1 270 . 1 1 63 63 PHE N N 15 122.911 0.01 . . . . . . . 62 PHE N . 27187 1 271 . 1 1 64 64 VAL H H 1 8.352 0.00 . . . . . . . 63 VAL H . 27187 1 272 . 1 1 64 64 VAL C C 13 177.854 0.01 . . . . . . . 63 VAL C . 27187 1 273 . 1 1 64 64 VAL CA C 13 66.364 0.03 . . . . . . . 63 VAL CA . 27187 1 274 . 1 1 64 64 VAL CB C 13 30.462 0.02 . . . . . . . 63 VAL CB . 27187 1 275 . 1 1 64 64 VAL N N 15 116.434 0.01 . . . . . . . 63 VAL N . 27187 1 276 . 1 1 65 65 ASN H H 1 7.9 0.00 . . . . . . . 64 ASN H . 27187 1 277 . 1 1 65 65 ASN C C 13 176.76 0.00 . . . . . . . 64 ASN C . 27187 1 278 . 1 1 65 65 ASN CA C 13 57.419 0.00 . . . . . . . 64 ASN CA . 27187 1 279 . 1 1 65 65 ASN CB C 13 39.994 0.02 . . . . . . . 64 ASN CB . 27187 1 280 . 1 1 65 65 ASN N N 15 117.753 0.01 . . . . . . . 64 ASN N . 27187 1 281 . 1 1 66 66 ASP H H 1 8.303 0.00 . . . . . . . 65 ASP H . 27187 1 282 . 1 1 66 66 ASP C C 13 178.46 0.03 . . . . . . . 65 ASP C . 27187 1 283 . 1 1 66 66 ASP CA C 13 57.752 0.01 . . . . . . . 65 ASP CA . 27187 1 284 . 1 1 66 66 ASP CB C 13 41.237 0.03 . . . . . . . 65 ASP CB . 27187 1 285 . 1 1 66 66 ASP N N 15 120.822 0.01 . . . . . . . 65 ASP N . 27187 1 286 . 1 1 67 67 ILE H H 1 8.108 0.00 . . . . . . . 66 ILE H . 27187 1 287 . 1 1 67 67 ILE C C 13 177.426 0.01 . . . . . . . 66 ILE C . 27187 1 288 . 1 1 67 67 ILE CA C 13 62.882 0.02 . . . . . . . 66 ILE CA . 27187 1 289 . 1 1 67 67 ILE CB C 13 35.603 0.03 . . . . . . . 66 ILE CB . 27187 1 290 . 1 1 67 67 ILE N N 15 118.729 0.01 . . . . . . . 66 ILE N . 27187 1 291 . 1 1 68 68 PHE H H 1 7.863 0.00 . . . . . . . 67 PHE H . 27187 1 292 . 1 1 68 68 PHE C C 13 175.988 0.00 . . . . . . . 67 PHE C . 27187 1 293 . 1 1 68 68 PHE CA C 13 62.259 0.01 . . . . . . . 67 PHE CA . 27187 1 294 . 1 1 68 68 PHE CB C 13 37.504 0.01 . . . . . . . 67 PHE CB . 27187 1 295 . 1 1 68 68 PHE N N 15 119.782 0.00 . . . . . . . 67 PHE N . 27187 1 296 . 1 1 69 69 GLU H H 1 8.368 0.00 . . . . . . . 68 GLU H . 27187 1 297 . 1 1 69 69 GLU C C 13 180.191 0.01 . . . . . . . 68 GLU C . 27187 1 298 . 1 1 69 69 GLU CA C 13 59.138 0.01 . . . . . . . 68 GLU CA . 27187 1 299 . 1 1 69 69 GLU CB C 13 29.016 0.04 . . . . . . . 68 GLU CB . 27187 1 300 . 1 1 69 69 GLU N N 15 117.295 0.01 . . . . . . . 68 GLU N . 27187 1 301 . 1 1 70 70 ARG H H 1 8.554 0.00 . . . . . . . 69 ARG H . 27187 1 302 . 1 1 70 70 ARG C C 13 179.92 0.01 . . . . . . . 69 ARG C . 27187 1 303 . 1 1 70 70 ARG CA C 13 58.913 0.02 . . . . . . . 69 ARG CA . 27187 1 304 . 1 1 70 70 ARG CB C 13 29.937 0.03 . . . . . . . 69 ARG CB . 27187 1 305 . 1 1 70 70 ARG N N 15 118.272 0.00 . . . . . . . 69 ARG N . 27187 1 306 . 1 1 71 71 ILE H H 1 8.089 0.00 . . . . . . . 70 ILE H . 27187 1 307 . 1 1 71 71 ILE C C 13 177.27 0.01 . . . . . . . 70 ILE C . 27187 1 308 . 1 1 71 71 ILE CA C 13 64.668 0.01 . . . . . . . 70 ILE CA . 27187 1 309 . 1 1 71 71 ILE CB C 13 35.795 0.02 . . . . . . . 70 ILE CB . 27187 1 310 . 1 1 71 71 ILE N N 15 118.973 0.01 . . . . . . . 70 ILE N . 27187 1 311 . 1 1 72 72 ALA H H 1 8.459 0.00 . . . . . . . 71 ALA H . 27187 1 312 . 1 1 72 72 ALA C C 13 179.017 0.00 . . . . . . . 71 ALA C . 27187 1 313 . 1 1 72 72 ALA CA C 13 55.483 0.02 . . . . . . . 71 ALA CA . 27187 1 314 . 1 1 72 72 ALA CB C 13 15.688 0.05 . . . . . . . 71 ALA CB . 27187 1 315 . 1 1 72 72 ALA N N 15 122.423 0.01 . . . . . . . 71 ALA N . 27187 1 316 . 1 1 73 73 ALA H H 1 7.876 0.00 . . . . . . . 72 ALA H . 27187 1 317 . 1 1 73 73 ALA C C 13 181.23 0.00 . . . . . . . 72 ALA C . 27187 1 318 . 1 1 73 73 ALA CA C 13 54.737 0.02 . . . . . . . 72 ALA CA . 27187 1 319 . 1 1 73 73 ALA CB C 13 17.687 0.04 . . . . . . . 72 ALA CB . 27187 1 320 . 1 1 73 73 ALA N N 15 117.547 0.01 . . . . . . . 72 ALA N . 27187 1 321 . 1 1 74 74 GLU H H 1 7.558 0.00 . . . . . . . 73 GLU H . 27187 1 322 . 1 1 74 74 GLU C C 13 178.452 0.01 . . . . . . . 73 GLU C . 27187 1 323 . 1 1 74 74 GLU CA C 13 57.83 0.02 . . . . . . . 73 GLU CA . 27187 1 324 . 1 1 74 74 GLU CB C 13 29.106 0.03 . . . . . . . 73 GLU CB . 27187 1 325 . 1 1 74 74 GLU N N 15 120.737 0.01 . . . . . . . 73 GLU N . 27187 1 326 . 1 1 75 75 ALA H H 1 8.811 0.00 . . . . . . . 74 ALA H . 27187 1 327 . 1 1 75 75 ALA C C 13 179.052 0.01 . . . . . . . 74 ALA C . 27187 1 328 . 1 1 75 75 ALA CA C 13 54.706 0.01 . . . . . . . 74 ALA CA . 27187 1 329 . 1 1 75 75 ALA CB C 13 16.977 0.03 . . . . . . . 74 ALA CB . 27187 1 330 . 1 1 75 75 ALA N N 15 121.857 0.00 . . . . . . . 74 ALA N . 27187 1 331 . 1 1 76 76 SER H H 1 8.195 0.00 . . . . . . . 75 SER H . 27187 1 332 . 1 1 76 76 SER C C 13 177.587 0.00 . . . . . . . 75 SER C . 27187 1 333 . 1 1 76 76 SER CA C 13 60.834 0.01 . . . . . . . 75 SER CA . 27187 1 334 . 1 1 76 76 SER CB C 13 63.06 0.01 . . . . . . . 75 SER CB . 27187 1 335 . 1 1 76 76 SER N N 15 111.245 0.01 . . . . . . . 75 SER N . 27187 1 336 . 1 1 77 77 ARG H H 1 7.877 0.00 . . . . . . . 76 ARG H . 27187 1 337 . 1 1 77 77 ARG C C 13 179.61 0.01 . . . . . . . 76 ARG C . 27187 1 338 . 1 1 77 77 ARG CA C 13 59.554 0.04 . . . . . . . 76 ARG CA . 27187 1 339 . 1 1 77 77 ARG CB C 13 29.118 0.03 . . . . . . . 76 ARG CB . 27187 1 340 . 1 1 77 77 ARG N N 15 122.878 0.01 . . . . . . . 76 ARG N . 27187 1 341 . 1 1 78 78 LEU H H 1 8.256 0.00 . . . . . . . 77 LEU H . 27187 1 342 . 1 1 78 78 LEU C C 13 180.072 0.02 . . . . . . . 77 LEU C . 27187 1 343 . 1 1 78 78 LEU CA C 13 57.317 0.01 . . . . . . . 77 LEU CA . 27187 1 344 . 1 1 78 78 LEU CB C 13 41.137 0.02 . . . . . . . 77 LEU CB . 27187 1 345 . 1 1 78 78 LEU N N 15 119.687 0.01 . . . . . . . 77 LEU N . 27187 1 346 . 1 1 79 79 ALA H H 1 8.374 0.00 . . . . . . . 78 ALA H . 27187 1 347 . 1 1 79 79 ALA C C 13 179.582 0.00 . . . . . . . 78 ALA C . 27187 1 348 . 1 1 79 79 ALA CA C 13 54.652 0.01 . . . . . . . 78 ALA CA . 27187 1 349 . 1 1 79 79 ALA CB C 13 17.164 0.02 . . . . . . . 78 ALA CB . 27187 1 350 . 1 1 79 79 ALA N N 15 122.592 0.01 . . . . . . . 78 ALA N . 27187 1 351 . 1 1 80 80 HIS H H 1 8.027 0.00 . . . . . . . 79 HIS H . 27187 1 352 . 1 1 80 80 HIS C C 13 178.242 0.01 . . . . . . . 79 HIS C . 27187 1 353 . 1 1 80 80 HIS CA C 13 58.702 0.01 . . . . . . . 79 HIS CA . 27187 1 354 . 1 1 80 80 HIS CB C 13 28.448 0.03 . . . . . . . 79 HIS CB . 27187 1 355 . 1 1 80 80 HIS N N 15 115.753 0.01 . . . . . . . 79 HIS N . 27187 1 356 . 1 1 81 81 TYR H H 1 8.384 0.00 . . . . . . . 80 TYR H . 27187 1 357 . 1 1 81 81 TYR C C 13 176.727 0.01 . . . . . . . 80 TYR C . 27187 1 358 . 1 1 81 81 TYR CA C 13 59.892 0.01 . . . . . . . 80 TYR CA . 27187 1 359 . 1 1 81 81 TYR CB C 13 37.287 0.02 . . . . . . . 80 TYR CB . 27187 1 360 . 1 1 81 81 TYR N N 15 121.005 0.01 . . . . . . . 80 TYR N . 27187 1 361 . 1 1 82 82 ASN H H 1 7.66 0.00 . . . . . . . 81 ASN H . 27187 1 362 . 1 1 82 82 ASN C C 13 174.131 0.01 . . . . . . . 81 ASN C . 27187 1 363 . 1 1 82 82 ASN CA C 13 52.737 0.02 . . . . . . . 81 ASN CA . 27187 1 364 . 1 1 82 82 ASN CB C 13 39.119 0.05 . . . . . . . 81 ASN CB . 27187 1 365 . 1 1 82 82 ASN N N 15 115.798 0.01 . . . . . . . 81 ASN N . 27187 1 366 . 1 1 83 83 LYS H H 1 8.018 0.00 . . . . . . . 82 LYS H . 27187 1 367 . 1 1 83 83 LYS C C 13 176.38 0.01 . . . . . . . 82 LYS C . 27187 1 368 . 1 1 83 83 LYS CA C 13 57.4 0.01 . . . . . . . 82 LYS CA . 27187 1 369 . 1 1 83 83 LYS CB C 13 29.068 0.04 . . . . . . . 82 LYS CB . 27187 1 370 . 1 1 83 83 LYS N N 15 117.509 0.01 . . . . . . . 82 LYS N . 27187 1 371 . 1 1 84 84 ARG H H 1 8.302 0.00 . . . . . . . 83 ARG H . 27187 1 372 . 1 1 84 84 ARG C C 13 176.671 0.00 . . . . . . . 83 ARG C . 27187 1 373 . 1 1 84 84 ARG CA C 13 54.382 0.00 . . . . . . . 83 ARG CA . 27187 1 374 . 1 1 84 84 ARG CB C 13 30.323 0.00 . . . . . . . 83 ARG CB . 27187 1 375 . 1 1 84 84 ARG N N 15 118.01 0.00 . . . . . . . 83 ARG N . 27187 1 376 . 1 1 85 85 SER H H 1 8.215 0.00 . . . . . . . 84 SER H . 27187 1 377 . 1 1 85 85 SER C C 13 173.318 0.00 . . . . . . . 84 SER C . 27187 1 378 . 1 1 85 85 SER CA C 13 58.042 0.02 . . . . . . . 84 SER CA . 27187 1 379 . 1 1 85 85 SER CB C 13 62.723 0.01 . . . . . . . 84 SER CB . 27187 1 380 . 1 1 85 85 SER N N 15 121.527 0.00 . . . . . . . 84 SER N . 27187 1 381 . 1 1 86 86 THR H H 1 7.388 0.00 . . . . . . . 85 THR H . 27187 1 382 . 1 1 86 86 THR C C 13 173.911 0.00 . . . . . . . 85 THR C . 27187 1 383 . 1 1 86 86 THR CA C 13 59.865 0.02 . . . . . . . 85 THR CA . 27187 1 384 . 1 1 86 86 THR CB C 13 70.961 0.01 . . . . . . . 85 THR CB . 27187 1 385 . 1 1 86 86 THR N N 15 115.981 0.01 . . . . . . . 85 THR N . 27187 1 386 . 1 1 87 87 ILE H H 1 8.027 0.00 . . . . . . . 86 ILE H . 27187 1 387 . 1 1 87 87 ILE C C 13 173.766 0.02 . . . . . . . 86 ILE C . 27187 1 388 . 1 1 87 87 ILE CA C 13 61.209 0.03 . . . . . . . 86 ILE CA . 27187 1 389 . 1 1 87 87 ILE CB C 13 38.834 0.02 . . . . . . . 86 ILE CB . 27187 1 390 . 1 1 87 87 ILE N N 15 123.562 0.01 . . . . . . . 86 ILE N . 27187 1 391 . 1 1 88 88 THR H H 1 9.314 0.00 . . . . . . . 87 THR H . 27187 1 392 . 1 1 88 88 THR C C 13 176.28 0.00 . . . . . . . 87 THR C . 27187 1 393 . 1 1 88 88 THR CA C 13 59.85 0.00 . . . . . . . 87 THR CA . 27187 1 394 . 1 1 88 88 THR CB C 13 72.951 0.00 . . . . . . . 87 THR CB . 27187 1 395 . 1 1 88 88 THR N N 15 120.865 0.01 . . . . . . . 87 THR N . 27187 1 396 . 1 1 89 89 SER H H 1 7.84 0.00 . . . . . . . 88 SER H . 27187 1 397 . 1 1 89 89 SER C C 13 174.681 0.00 . . . . . . . 88 SER C . 27187 1 398 . 1 1 89 89 SER CA C 13 62.079 0.06 . . . . . . . 88 SER CA . 27187 1 399 . 1 1 89 89 SER CB C 13 61.412 0.09 . . . . . . . 88 SER CB . 27187 1 400 . 1 1 89 89 SER N N 15 114.261 0.00 . . . . . . . 88 SER N . 27187 1 401 . 1 1 90 90 ARG H H 1 7.848 0.00 . . . . . . . 89 ARG H . 27187 1 402 . 1 1 90 90 ARG C C 13 178.613 0.01 . . . . . . . 89 ARG C . 27187 1 403 . 1 1 90 90 ARG CA C 13 58.949 0.01 . . . . . . . 89 ARG CA . 27187 1 404 . 1 1 90 90 ARG CB C 13 28.669 0.03 . . . . . . . 89 ARG CB . 27187 1 405 . 1 1 90 90 ARG N N 15 122.385 0.01 . . . . . . . 89 ARG N . 27187 1 406 . 1 1 91 91 GLU H H 1 7.484 0.00 . . . . . . . 90 GLU H . 27187 1 407 . 1 1 91 91 GLU C C 13 178.493 0.00 . . . . . . . 90 GLU C . 27187 1 408 . 1 1 91 91 GLU CA C 13 61.11 0.02 . . . . . . . 90 GLU CA . 27187 1 409 . 1 1 91 91 GLU CB C 13 28.652 0.02 . . . . . . . 90 GLU CB . 27187 1 410 . 1 1 91 91 GLU N N 15 119.777 0.01 . . . . . . . 90 GLU N . 27187 1 411 . 1 1 92 92 ILE H H 1 7.095 0.00 . . . . . . . 91 ILE H . 27187 1 412 . 1 1 92 92 ILE C C 13 176.479 0.01 . . . . . . . 91 ILE C . 27187 1 413 . 1 1 92 92 ILE CA C 13 61.945 0.02 . . . . . . . 91 ILE CA . 27187 1 414 . 1 1 92 92 ILE CB C 13 33.519 0.04 . . . . . . . 91 ILE CB . 27187 1 415 . 1 1 92 92 ILE N N 15 116.346 0.00 . . . . . . . 91 ILE N . 27187 1 416 . 1 1 93 93 GLN H H 1 7.89 0.00 . . . . . . . 92 GLN H . 27187 1 417 . 1 1 93 93 GLN C C 13 177.449 0.01 . . . . . . . 92 GLN C . 27187 1 418 . 1 1 93 93 GLN CA C 13 59.606 0.01 . . . . . . . 92 GLN CA . 27187 1 419 . 1 1 93 93 GLN CB C 13 28.456 0.04 . . . . . . . 92 GLN CB . 27187 1 420 . 1 1 93 93 GLN N N 15 119.443 0.01 . . . . . . . 92 GLN N . 27187 1 421 . 1 1 94 94 THR H H 1 8.03 0.00 . . . . . . . 93 THR H . 27187 1 422 . 1 1 94 94 THR C C 13 175.726 0.01 . . . . . . . 93 THR C . 27187 1 423 . 1 1 94 94 THR CA C 13 66.405 0.03 . . . . . . . 93 THR CA . 27187 1 424 . 1 1 94 94 THR CB C 13 67.757 0.02 . . . . . . . 93 THR CB . 27187 1 425 . 1 1 94 94 THR N N 15 115.455 0.01 . . . . . . . 93 THR N . 27187 1 426 . 1 1 95 95 ALA H H 1 7.826 0.00 . . . . . . . 94 ALA H . 27187 1 427 . 1 1 95 95 ALA C C 13 179.039 0.01 . . . . . . . 94 ALA C . 27187 1 428 . 1 1 95 95 ALA CA C 13 55.495 0.01 . . . . . . . 94 ALA CA . 27187 1 429 . 1 1 95 95 ALA CB C 13 18.697 0.03 . . . . . . . 94 ALA CB . 27187 1 430 . 1 1 95 95 ALA N N 15 123.127 0.01 . . . . . . . 94 ALA N . 27187 1 431 . 1 1 96 96 VAL H H 1 8.416 0.00 . . . . . . . 95 VAL H . 27187 1 432 . 1 1 96 96 VAL C C 13 177.123 0.01 . . . . . . . 95 VAL C . 27187 1 433 . 1 1 96 96 VAL CA C 13 66.854 0.01 . . . . . . . 95 VAL CA . 27187 1 434 . 1 1 96 96 VAL CB C 13 30.306 0.02 . . . . . . . 95 VAL CB . 27187 1 435 . 1 1 96 96 VAL N N 15 117.811 0.01 . . . . . . . 95 VAL N . 27187 1 436 . 1 1 97 97 ARG H H 1 7.76 0.00 . . . . . . . 96 ARG H . 27187 1 437 . 1 1 97 97 ARG C C 13 178.357 0.01 . . . . . . . 96 ARG C . 27187 1 438 . 1 1 97 97 ARG CA C 13 58.761 0.02 . . . . . . . 96 ARG CA . 27187 1 439 . 1 1 97 97 ARG CB C 13 29.225 0.03 . . . . . . . 96 ARG CB . 27187 1 440 . 1 1 97 97 ARG N N 15 116.913 0.01 . . . . . . . 96 ARG N . 27187 1 441 . 1 1 98 98 LEU H H 1 7.751 0.00 . . . . . . . 97 LEU H . 27187 1 442 . 1 1 98 98 LEU C C 13 179.296 0.01 . . . . . . . 97 LEU C . 27187 1 443 . 1 1 98 98 LEU CA C 13 56.427 0.05 . . . . . . . 97 LEU CA . 27187 1 444 . 1 1 98 98 LEU CB C 13 41.689 0.02 . . . . . . . 97 LEU CB . 27187 1 445 . 1 1 98 98 LEU N N 15 117.966 0.01 . . . . . . . 97 LEU N . 27187 1 446 . 1 1 99 99 LEU H H 1 7.836 0.00 . . . . . . . 98 LEU H . 27187 1 447 . 1 1 99 99 LEU C C 13 177.379 0.01 . . . . . . . 98 LEU C . 27187 1 448 . 1 1 99 99 LEU CA C 13 55.721 0.01 . . . . . . . 98 LEU CA . 27187 1 449 . 1 1 99 99 LEU CB C 13 43.442 0.02 . . . . . . . 98 LEU CB . 27187 1 450 . 1 1 99 99 LEU N N 15 117.422 0.01 . . . . . . . 98 LEU N . 27187 1 451 . 1 1 100 100 LEU H H 1 8.07 0.00 . . . . . . . 99 LEU H . 27187 1 452 . 1 1 100 100 LEU C C 13 174.341 0.00 . . . . . . . 99 LEU C . 27187 1 453 . 1 1 100 100 LEU CA C 13 52.727 0.02 . . . . . . . 99 LEU CA . 27187 1 454 . 1 1 100 100 LEU CB C 13 39.731 0.00 . . . . . . . 99 LEU CB . 27187 1 455 . 1 1 100 100 LEU N N 15 119.771 0.01 . . . . . . . 99 LEU N . 27187 1 456 . 1 1 101 101 PRO C C 13 177.197 0.00 . . . . . . . 100 PRO C . 27187 1 457 . 1 1 101 101 PRO CA C 13 61.964 0.01 . . . . . . . 100 PRO CA . 27187 1 458 . 1 1 101 101 PRO CB C 13 31.334 0.04 . . . . . . . 100 PRO CB . 27187 1 459 . 1 1 102 102 GLY H H 1 8.113 0.00 . . . . . . . 101 GLY H . 27187 1 460 . 1 1 102 102 GLY C C 13 176.162 0.00 . . . . . . . 101 GLY C . 27187 1 461 . 1 1 102 102 GLY CA C 13 47.749 0.01 . . . . . . . 101 GLY CA . 27187 1 462 . 1 1 102 102 GLY N N 15 105.528 0.01 . . . . . . . 101 GLY N . 27187 1 463 . 1 1 103 103 GLU H H 1 10.141 0.00 . . . . . . . 102 GLU H . 27187 1 464 . 1 1 103 103 GLU C C 13 179.236 0.01 . . . . . . . 102 GLU C . 27187 1 465 . 1 1 103 103 GLU CA C 13 58.618 0.02 . . . . . . . 102 GLU CA . 27187 1 466 . 1 1 103 103 GLU CB C 13 28.327 0.04 . . . . . . . 102 GLU CB . 27187 1 467 . 1 1 103 103 GLU N N 15 128.459 0.01 . . . . . . . 102 GLU N . 27187 1 468 . 1 1 104 104 LEU H H 1 8.663 0.00 . . . . . . . 103 LEU H . 27187 1 469 . 1 1 104 104 LEU C C 13 179.553 0.01 . . . . . . . 103 LEU C . 27187 1 470 . 1 1 104 104 LEU CA C 13 57.471 0.01 . . . . . . . 103 LEU CA . 27187 1 471 . 1 1 104 104 LEU CB C 13 41.817 0.02 . . . . . . . 103 LEU CB . 27187 1 472 . 1 1 104 104 LEU N N 15 122.35 0.01 . . . . . . . 103 LEU N . 27187 1 473 . 1 1 105 105 ALA H H 1 7.858 0.00 . . . . . . . 104 ALA H . 27187 1 474 . 1 1 105 105 ALA C C 13 179.266 0.01 . . . . . . . 104 ALA C . 27187 1 475 . 1 1 105 105 ALA CA C 13 54.922 0.02 . . . . . . . 104 ALA CA . 27187 1 476 . 1 1 105 105 ALA CB C 13 18.018 0.05 . . . . . . . 104 ALA CB . 27187 1 477 . 1 1 105 105 ALA N N 15 118.948 0.01 . . . . . . . 104 ALA N . 27187 1 478 . 1 1 106 106 LYS H H 1 7.305 0.00 . . . . . . . 105 LYS H . 27187 1 479 . 1 1 106 106 LYS C C 13 180.127 0.01 . . . . . . . 105 LYS C . 27187 1 480 . 1 1 106 106 LYS CA C 13 59.206 0.08 . . . . . . . 105 LYS CA . 27187 1 481 . 1 1 106 106 LYS CB C 13 31.353 0.04 . . . . . . . 105 LYS CB . 27187 1 482 . 1 1 106 106 LYS N N 15 116.849 0.01 . . . . . . . 105 LYS N . 27187 1 483 . 1 1 107 107 HIS H H 1 7.989 0.00 . . . . . . . 106 HIS H . 27187 1 484 . 1 1 107 107 HIS C C 13 177.209 0.01 . . . . . . . 106 HIS C . 27187 1 485 . 1 1 107 107 HIS CA C 13 58.538 0.02 . . . . . . . 106 HIS CA . 27187 1 486 . 1 1 107 107 HIS CB C 13 29.124 0.05 . . . . . . . 106 HIS CB . 27187 1 487 . 1 1 107 107 HIS N N 15 118.555 0.01 . . . . . . . 106 HIS N . 27187 1 488 . 1 1 108 108 ALA H H 1 8.603 0.00 . . . . . . . 107 ALA H . 27187 1 489 . 1 1 108 108 ALA C C 13 179.175 0.01 . . . . . . . 107 ALA C . 27187 1 490 . 1 1 108 108 ALA CA C 13 55.283 0.01 . . . . . . . 107 ALA CA . 27187 1 491 . 1 1 108 108 ALA CB C 13 18.463 0.04 . . . . . . . 107 ALA CB . 27187 1 492 . 1 1 108 108 ALA N N 15 123.249 0.01 . . . . . . . 107 ALA N . 27187 1 493 . 1 1 109 109 VAL H H 1 8.194 0.00 . . . . . . . 108 VAL H . 27187 1 494 . 1 1 109 109 VAL C C 13 179.878 0.01 . . . . . . . 108 VAL C . 27187 1 495 . 1 1 109 109 VAL CA C 13 64.174 0.01 . . . . . . . 108 VAL CA . 27187 1 496 . 1 1 109 109 VAL CB C 13 30.651 0.04 . . . . . . . 108 VAL CB . 27187 1 497 . 1 1 109 109 VAL N N 15 116.98 0.01 . . . . . . . 108 VAL N . 27187 1 498 . 1 1 110 110 SER H H 1 7.441 0.00 . . . . . . . 109 SER H . 27187 1 499 . 1 1 110 110 SER C C 13 177.211 0.02 . . . . . . . 109 SER C . 27187 1 500 . 1 1 110 110 SER CA C 13 61.21 0.02 . . . . . . . 109 SER CA . 27187 1 501 . 1 1 110 110 SER CB C 13 61.974 0.03 . . . . . . . 109 SER CB . 27187 1 502 . 1 1 110 110 SER N N 15 117.633 0.01 . . . . . . . 109 SER N . 27187 1 503 . 1 1 111 111 GLU H H 1 8.091 0.00 . . . . . . . 110 GLU H . 27187 1 504 . 1 1 111 111 GLU C C 13 180.148 0.00 . . . . . . . 110 GLU C . 27187 1 505 . 1 1 111 111 GLU CA C 13 58.386 0.01 . . . . . . . 110 GLU CA . 27187 1 506 . 1 1 111 111 GLU CB C 13 27.963 0.03 . . . . . . . 110 GLU CB . 27187 1 507 . 1 1 111 111 GLU N N 15 119.815 0.01 . . . . . . . 110 GLU N . 27187 1 508 . 1 1 112 112 GLY H H 1 8.6 0.00 . . . . . . . 111 GLY H . 27187 1 509 . 1 1 112 112 GLY C C 13 174.847 0.01 . . . . . . . 111 GLY C . 27187 1 510 . 1 1 112 112 GLY CA C 13 46.378 0.01 . . . . . . . 111 GLY CA . 27187 1 511 . 1 1 112 112 GLY N N 15 109.147 0.01 . . . . . . . 111 GLY N . 27187 1 512 . 1 1 113 113 THR H H 1 7.998 0.00 . . . . . . . 112 THR H . 27187 1 513 . 1 1 113 113 THR C C 13 177.564 0.02 . . . . . . . 112 THR C . 27187 1 514 . 1 1 113 113 THR CA C 13 66.263 0.03 . . . . . . . 112 THR CA . 27187 1 515 . 1 1 113 113 THR CB C 13 68.461 0.02 . . . . . . . 112 THR CB . 27187 1 516 . 1 1 113 113 THR N N 15 116.629 0.00 . . . . . . . 112 THR N . 27187 1 517 . 1 1 114 114 LYS H H 1 7.893 0.00 . . . . . . . 113 LYS H . 27187 1 518 . 1 1 114 114 LYS C C 13 178.887 0.00 . . . . . . . 113 LYS C . 27187 1 519 . 1 1 114 114 LYS CA C 13 59.257 0.02 . . . . . . . 113 LYS CA . 27187 1 520 . 1 1 114 114 LYS CB C 13 31.464 0.04 . . . . . . . 113 LYS CB . 27187 1 521 . 1 1 114 114 LYS N N 15 122.849 0.01 . . . . . . . 113 LYS N . 27187 1 522 . 1 1 115 115 ALA H H 1 7.678 0.00 . . . . . . . 114 ALA H . 27187 1 523 . 1 1 115 115 ALA C C 13 179.921 0.01 . . . . . . . 114 ALA C . 27187 1 524 . 1 1 115 115 ALA CA C 13 54.723 0.01 . . . . . . . 114 ALA CA . 27187 1 525 . 1 1 115 115 ALA CB C 13 18.306 0.02 . . . . . . . 114 ALA CB . 27187 1 526 . 1 1 115 115 ALA N N 15 121.386 0.01 . . . . . . . 114 ALA N . 27187 1 527 . 1 1 116 116 VAL H H 1 8.094 0.00 . . . . . . . 115 VAL H . 27187 1 528 . 1 1 116 116 VAL C C 13 178.941 0.01 . . . . . . . 115 VAL C . 27187 1 529 . 1 1 116 116 VAL CA C 13 66.298 0.04 . . . . . . . 115 VAL CA . 27187 1 530 . 1 1 116 116 VAL CB C 13 30.805 0.02 . . . . . . . 115 VAL CB . 27187 1 531 . 1 1 116 116 VAL N N 15 117.361 0.03 . . . . . . . 115 VAL N . 27187 1 532 . 1 1 117 117 THR H H 1 7.925 0.00 . . . . . . . 116 THR H . 27187 1 533 . 1 1 117 117 THR C C 13 175.986 0.00 . . . . . . . 116 THR C . 27187 1 534 . 1 1 117 117 THR CA C 13 65.58 0.09 . . . . . . . 116 THR CA . 27187 1 535 . 1 1 117 117 THR CB C 13 68.49 0.01 . . . . . . . 116 THR CB . 27187 1 536 . 1 1 117 117 THR N N 15 116.509 0.01 . . . . . . . 116 THR N . 27187 1 537 . 1 1 118 118 LYS H H 1 7.765 0.00 . . . . . . . 117 LYS H . 27187 1 538 . 1 1 118 118 LYS C C 13 178.304 0.01 . . . . . . . 117 LYS C . 27187 1 539 . 1 1 118 118 LYS CA C 13 58.059 0.02 . . . . . . . 117 LYS CA . 27187 1 540 . 1 1 118 118 LYS CB C 13 31.997 0.03 . . . . . . . 117 LYS CB . 27187 1 541 . 1 1 118 118 LYS N N 15 120.962 0.01 . . . . . . . 117 LYS N . 27187 1 542 . 1 1 119 119 TYR H H 1 8.184 0.00 . . . . . . . 118 TYR H . 27187 1 543 . 1 1 119 119 TYR C C 13 176.896 0.01 . . . . . . . 118 TYR C . 27187 1 544 . 1 1 119 119 TYR CA C 13 59.291 0.02 . . . . . . . 118 TYR CA . 27187 1 545 . 1 1 119 119 TYR CB C 13 38.36 0.02 . . . . . . . 118 TYR CB . 27187 1 546 . 1 1 119 119 TYR N N 15 117.837 0.01 . . . . . . . 118 TYR N . 27187 1 547 . 1 1 120 120 THR H H 1 7.873 0.00 . . . . . . . 119 THR H . 27187 1 548 . 1 1 120 120 THR C C 13 174.705 0.01 . . . . . . . 119 THR C . 27187 1 549 . 1 1 120 120 THR CA C 13 62.104 0.01 . . . . . . . 119 THR CA . 27187 1 550 . 1 1 120 120 THR CB C 13 69.594 0.02 . . . . . . . 119 THR CB . 27187 1 551 . 1 1 120 120 THR N N 15 112.415 0.01 . . . . . . . 119 THR N . 27187 1 552 . 1 1 121 121 SER H H 1 7.969 0.00 . . . . . . . 120 SER H . 27187 1 553 . 1 1 121 121 SER C C 13 174.572 0.00 . . . . . . . 120 SER C . 27187 1 554 . 1 1 121 121 SER CA C 13 58.233 0.03 . . . . . . . 120 SER CA . 27187 1 555 . 1 1 121 121 SER CB C 13 63.35 0.01 . . . . . . . 120 SER CB . 27187 1 556 . 1 1 121 121 SER N N 15 117.3 0.01 . . . . . . . 120 SER N . 27187 1 557 . 1 1 122 122 SER H H 1 8.13 0.00 . . . . . . . 121 SER H . 27187 1 558 . 1 1 122 122 SER C C 13 173.817 0.00 . . . . . . . 121 SER C . 27187 1 559 . 1 1 122 122 SER CA C 13 58.148 0.02 . . . . . . . 121 SER CA . 27187 1 560 . 1 1 122 122 SER CB C 13 63.38 0.02 . . . . . . . 121 SER CB . 27187 1 561 . 1 1 122 122 SER N N 15 118.366 0.00 . . . . . . . 121 SER N . 27187 1 562 . 1 1 123 123 LYS H H 1 7.841 0.00 . . . . . . . 122 LYS H . 27187 1 563 . 1 1 123 123 LYS C C 13 181.411 0.00 . . . . . . . 122 LYS C . 27187 1 564 . 1 1 123 123 LYS CA C 13 57.362 0.00 . . . . . . . 122 LYS CA . 27187 1 565 . 1 1 123 123 LYS CB C 13 32.792 0.00 . . . . . . . 122 LYS CB . 27187 1 566 . 1 1 123 123 LYS N N 15 128.173 0.01 . . . . . . . 122 LYS N . 27187 1 stop_ save_