################################### # 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_chemical_shift_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_1 _Assigned_chem_shift_list.Entry_ID 10166 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $condition_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $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 '3D 13C-separated NOESY' 1 $sample_1 isotropic 10166 1 2 '3D 15N-separated NOESY' 1 $sample_1 isotropic 10166 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 7 7 GLY N N 15 110.455 0.300 . 1 . . . . 7 GLY N . 10166 1 2 . 1 1 7 7 GLY H H 1 8.367 0.030 . 1 . . . . 7 GLY H . 10166 1 3 . 1 1 7 7 GLY CA C 13 45.260 0.300 . 1 . . . . 7 GLY CA . 10166 1 4 . 1 1 7 7 GLY HA2 H 1 3.916 0.030 . 1 . . . . 7 GLY HA2 . 10166 1 5 . 1 1 7 7 GLY HA3 H 1 3.916 0.030 . 1 . . . . 7 GLY HA3 . 10166 1 6 . 1 1 7 7 GLY C C 13 174.007 0.300 . 1 . . . . 7 GLY C . 10166 1 7 . 1 1 8 8 GLU N N 15 120.208 0.300 . 1 . . . . 8 GLU N . 10166 1 8 . 1 1 8 8 GLU H H 1 8.176 0.030 . 1 . . . . 8 GLU H . 10166 1 9 . 1 1 8 8 GLU CA C 13 56.854 0.300 . 1 . . . . 8 GLU CA . 10166 1 10 . 1 1 8 8 GLU HA H 1 4.160 0.030 . 1 . . . . 8 GLU HA . 10166 1 11 . 1 1 8 8 GLU CB C 13 30.376 0.300 . 1 . . . . 8 GLU CB . 10166 1 12 . 1 1 8 8 GLU HB2 H 1 1.875 0.030 . 2 . . . . 8 GLU HB2 . 10166 1 13 . 1 1 8 8 GLU HB3 H 1 1.955 0.030 . 2 . . . . 8 GLU HB3 . 10166 1 14 . 1 1 8 8 GLU CG C 13 36.259 0.300 . 1 . . . . 8 GLU CG . 10166 1 15 . 1 1 8 8 GLU HG2 H 1 2.174 0.030 . 2 . . . . 8 GLU HG2 . 10166 1 16 . 1 1 8 8 GLU HG3 H 1 2.230 0.030 . 2 . . . . 8 GLU HG3 . 10166 1 17 . 1 1 8 8 GLU C C 13 176.369 0.300 . 1 . . . . 8 GLU C . 10166 1 18 . 1 1 9 9 LYS N N 15 121.925 0.300 . 1 . . . . 9 LYS N . 10166 1 19 . 1 1 9 9 LYS H H 1 8.248 0.030 . 1 . . . . 9 LYS H . 10166 1 20 . 1 1 9 9 LYS CA C 13 53.835 0.300 . 1 . . . . 9 LYS CA . 10166 1 21 . 1 1 9 9 LYS HA H 1 4.472 0.030 . 1 . . . . 9 LYS HA . 10166 1 22 . 1 1 9 9 LYS CB C 13 33.228 0.300 . 1 . . . . 9 LYS CB . 10166 1 23 . 1 1 9 9 LYS HB2 H 1 1.540 0.030 . 2 . . . . 9 LYS HB2 . 10166 1 24 . 1 1 9 9 LYS HB3 H 1 1.365 0.030 . 2 . . . . 9 LYS HB3 . 10166 1 25 . 1 1 9 9 LYS CG C 13 24.697 0.300 . 1 . . . . 9 LYS CG . 10166 1 26 . 1 1 9 9 LYS HG2 H 1 1.184 0.030 . 2 . . . . 9 LYS HG2 . 10166 1 27 . 1 1 9 9 LYS HG3 H 1 1.251 0.030 . 2 . . . . 9 LYS HG3 . 10166 1 28 . 1 1 9 9 LYS CD C 13 29.473 0.300 . 1 . . . . 9 LYS CD . 10166 1 29 . 1 1 9 9 LYS HD2 H 1 1.436 0.030 . 1 . . . . 9 LYS HD2 . 10166 1 30 . 1 1 9 9 LYS HD3 H 1 1.436 0.030 . 1 . . . . 9 LYS HD3 . 10166 1 31 . 1 1 9 9 LYS CE C 13 42.348 0.300 . 1 . . . . 9 LYS CE . 10166 1 32 . 1 1 9 9 LYS HE2 H 1 2.867 0.030 . 1 . . . . 9 LYS HE2 . 10166 1 33 . 1 1 9 9 LYS HE3 H 1 2.867 0.030 . 1 . . . . 9 LYS HE3 . 10166 1 34 . 1 1 9 9 LYS C C 13 174.035 0.300 . 1 . . . . 9 LYS C . 10166 1 35 . 1 1 10 10 PRO CA C 13 63.591 0.300 . 1 . . . . 10 PRO CA . 10166 1 36 . 1 1 10 10 PRO HA H 1 4.246 0.030 . 1 . . . . 10 PRO HA . 10166 1 37 . 1 1 10 10 PRO CB C 13 32.267 0.300 . 1 . . . . 10 PRO CB . 10166 1 38 . 1 1 10 10 PRO HB2 H 1 2.007 0.030 . 2 . . . . 10 PRO HB2 . 10166 1 39 . 1 1 10 10 PRO HB3 H 1 1.157 0.030 . 2 . . . . 10 PRO HB3 . 10166 1 40 . 1 1 10 10 PRO CG C 13 26.638 0.300 . 1 . . . . 10 PRO CG . 10166 1 41 . 1 1 10 10 PRO HG2 H 1 1.630 0.030 . 2 . . . . 10 PRO HG2 . 10166 1 42 . 1 1 10 10 PRO HG3 H 1 1.769 0.030 . 2 . . . . 10 PRO HG3 . 10166 1 43 . 1 1 10 10 PRO CD C 13 50.365 0.300 . 1 . . . . 10 PRO CD . 10166 1 44 . 1 1 10 10 PRO HD2 H 1 3.601 0.030 . 2 . . . . 10 PRO HD2 . 10166 1 45 . 1 1 10 10 PRO HD3 H 1 3.720 0.030 . 2 . . . . 10 PRO HD3 . 10166 1 46 . 1 1 10 10 PRO C C 13 176.492 0.300 . 1 . . . . 10 PRO C . 10166 1 47 . 1 1 11 11 TYR N N 15 117.866 0.300 . 1 . . . . 11 TYR N . 10166 1 48 . 1 1 11 11 TYR H H 1 7.767 0.030 . 1 . . . . 11 TYR H . 10166 1 49 . 1 1 11 11 TYR CA C 13 57.355 0.300 . 1 . . . . 11 TYR CA . 10166 1 50 . 1 1 11 11 TYR HA H 1 4.731 0.030 . 1 . . . . 11 TYR HA . 10166 1 51 . 1 1 11 11 TYR CB C 13 38.877 0.300 . 1 . . . . 11 TYR CB . 10166 1 52 . 1 1 11 11 TYR HB2 H 1 3.022 0.030 . 2 . . . . 11 TYR HB2 . 10166 1 53 . 1 1 11 11 TYR HB3 H 1 2.826 0.030 . 2 . . . . 11 TYR HB3 . 10166 1 54 . 1 1 11 11 TYR CD1 C 13 133.488 0.300 . 1 . . . . 11 TYR CD1 . 10166 1 55 . 1 1 11 11 TYR HD1 H 1 7.049 0.030 . 1 . . . . 11 TYR HD1 . 10166 1 56 . 1 1 11 11 TYR CD2 C 13 133.488 0.300 . 1 . . . . 11 TYR CD2 . 10166 1 57 . 1 1 11 11 TYR HD2 H 1 7.049 0.030 . 1 . . . . 11 TYR HD2 . 10166 1 58 . 1 1 11 11 TYR CE1 C 13 118.550 0.300 . 1 . . . . 11 TYR CE1 . 10166 1 59 . 1 1 11 11 TYR HE1 H 1 6.967 0.030 . 1 . . . . 11 TYR HE1 . 10166 1 60 . 1 1 11 11 TYR CE2 C 13 118.550 0.300 . 1 . . . . 11 TYR CE2 . 10166 1 61 . 1 1 11 11 TYR HE2 H 1 6.967 0.030 . 1 . . . . 11 TYR HE2 . 10166 1 62 . 1 1 11 11 TYR C C 13 174.849 0.300 . 1 . . . . 11 TYR C . 10166 1 63 . 1 1 12 12 SER N N 15 117.933 0.300 . 1 . . . . 12 SER N . 10166 1 64 . 1 1 12 12 SER H H 1 8.645 0.030 . 1 . . . . 12 SER H . 10166 1 65 . 1 1 12 12 SER CA C 13 57.174 0.300 . 1 . . . . 12 SER CA . 10166 1 66 . 1 1 12 12 SER HA H 1 5.270 0.030 . 1 . . . . 12 SER HA . 10166 1 67 . 1 1 12 12 SER CB C 13 65.458 0.300 . 1 . . . . 12 SER CB . 10166 1 68 . 1 1 12 12 SER HB2 H 1 3.629 0.030 . 1 . . . . 12 SER HB2 . 10166 1 69 . 1 1 12 12 SER HB3 H 1 3.629 0.030 . 1 . . . . 12 SER HB3 . 10166 1 70 . 1 1 12 12 SER C C 13 173.243 0.300 . 1 . . . . 12 SER C . 10166 1 71 . 1 1 13 13 CYS N N 15 125.607 0.300 . 1 . . . . 13 CYS N . 10166 1 72 . 1 1 13 13 CYS H H 1 9.185 0.030 . 1 . . . . 13 CYS H . 10166 1 73 . 1 1 13 13 CYS CA C 13 59.445 0.300 . 1 . . . . 13 CYS CA . 10166 1 74 . 1 1 13 13 CYS HA H 1 4.513 0.030 . 1 . . . . 13 CYS HA . 10166 1 75 . 1 1 13 13 CYS CB C 13 30.133 0.300 . 1 . . . . 13 CYS CB . 10166 1 76 . 1 1 13 13 CYS HB2 H 1 2.854 0.030 . 2 . . . . 13 CYS HB2 . 10166 1 77 . 1 1 13 13 CYS HB3 H 1 3.404 0.030 . 2 . . . . 13 CYS HB3 . 10166 1 78 . 1 1 13 13 CYS C C 13 176.806 0.300 . 1 . . . . 13 CYS C . 10166 1 79 . 1 1 14 14 ASN CA C 13 55.571 0.300 . 1 . . . . 14 ASN CA . 10166 1 80 . 1 1 14 14 ASN HA H 1 4.532 0.030 . 1 . . . . 14 ASN HA . 10166 1 81 . 1 1 14 14 ASN CB C 13 37.747 0.300 . 1 . . . . 14 ASN CB . 10166 1 82 . 1 1 14 14 ASN HB2 H 1 2.912 0.030 . 2 . . . . 14 ASN HB2 . 10166 1 83 . 1 1 14 14 ASN HB3 H 1 2.949 0.030 . 2 . . . . 14 ASN HB3 . 10166 1 84 . 1 1 14 14 ASN ND2 N 15 113.544 0.300 . 1 . . . . 14 ASN ND2 . 10166 1 85 . 1 1 14 14 ASN HD21 H 1 7.680 0.030 . 2 . . . . 14 ASN HD21 . 10166 1 86 . 1 1 14 14 ASN HD22 H 1 7.035 0.030 . 2 . . . . 14 ASN HD22 . 10166 1 87 . 1 1 14 14 ASN C C 13 175.128 0.300 . 1 . . . . 14 ASN C . 10166 1 88 . 1 1 15 15 GLU N N 15 121.346 0.300 . 1 . . . . 15 GLU N . 10166 1 89 . 1 1 15 15 GLU H H 1 8.862 0.030 . 1 . . . . 15 GLU H . 10166 1 90 . 1 1 15 15 GLU CA C 13 58.395 0.300 . 1 . . . . 15 GLU CA . 10166 1 91 . 1 1 15 15 GLU HA H 1 4.262 0.030 . 1 . . . . 15 GLU HA . 10166 1 92 . 1 1 15 15 GLU CB C 13 29.692 0.300 . 1 . . . . 15 GLU CB . 10166 1 93 . 1 1 15 15 GLU HB2 H 1 1.263 0.030 . 2 . . . . 15 GLU HB2 . 10166 1 94 . 1 1 15 15 GLU HB3 H 1 1.394 0.030 . 2 . . . . 15 GLU HB3 . 10166 1 95 . 1 1 15 15 GLU CG C 13 36.134 0.300 . 1 . . . . 15 GLU CG . 10166 1 96 . 1 1 15 15 GLU HG2 H 1 1.841 0.030 . 2 . . . . 15 GLU HG2 . 10166 1 97 . 1 1 15 15 GLU HG3 H 1 1.932 0.030 . 2 . . . . 15 GLU HG3 . 10166 1 98 . 1 1 15 15 GLU C C 13 177.050 0.300 . 1 . . . . 15 GLU C . 10166 1 99 . 1 1 16 16 CYS N N 15 115.108 0.300 . 1 . . . . 16 CYS N . 10166 1 100 . 1 1 16 16 CYS H H 1 7.955 0.030 . 1 . . . . 16 CYS H . 10166 1 101 . 1 1 16 16 CYS CA C 13 58.406 0.300 . 1 . . . . 16 CYS CA . 10166 1 102 . 1 1 16 16 CYS HA H 1 5.166 0.030 . 1 . . . . 16 CYS HA . 10166 1 103 . 1 1 16 16 CYS CB C 13 32.552 0.300 . 1 . . . . 16 CYS CB . 10166 1 104 . 1 1 16 16 CYS HB2 H 1 3.439 0.030 . 2 . . . . 16 CYS HB2 . 10166 1 105 . 1 1 16 16 CYS HB3 H 1 2.887 0.030 . 2 . . . . 16 CYS HB3 . 10166 1 106 . 1 1 16 16 CYS C C 13 176.113 0.300 . 1 . . . . 16 CYS C . 10166 1 107 . 1 1 17 17 GLY N N 15 113.282 0.300 . 1 . . . . 17 GLY N . 10166 1 108 . 1 1 17 17 GLY H H 1 8.210 0.030 . 1 . . . . 17 GLY H . 10166 1 109 . 1 1 17 17 GLY CA C 13 46.158 0.300 . 1 . . . . 17 GLY CA . 10166 1 110 . 1 1 17 17 GLY HA2 H 1 4.229 0.030 . 2 . . . . 17 GLY HA2 . 10166 1 111 . 1 1 17 17 GLY HA3 H 1 3.869 0.030 . 2 . . . . 17 GLY HA3 . 10166 1 112 . 1 1 17 17 GLY C C 13 174.168 0.300 . 1 . . . . 17 GLY C . 10166 1 113 . 1 1 18 18 LYS N N 15 123.728 0.300 . 1 . . . . 18 LYS N . 10166 1 114 . 1 1 18 18 LYS H H 1 8.024 0.030 . 1 . . . . 18 LYS H . 10166 1 115 . 1 1 18 18 LYS CA C 13 58.388 0.300 . 1 . . . . 18 LYS CA . 10166 1 116 . 1 1 18 18 LYS HA H 1 3.899 0.030 . 1 . . . . 18 LYS HA . 10166 1 117 . 1 1 18 18 LYS CB C 13 33.570 0.300 . 1 . . . . 18 LYS CB . 10166 1 118 . 1 1 18 18 LYS HB2 H 1 1.399 0.030 . 2 . . . . 18 LYS HB2 . 10166 1 119 . 1 1 18 18 LYS HB3 H 1 1.154 0.030 . 2 . . . . 18 LYS HB3 . 10166 1 120 . 1 1 18 18 LYS CG C 13 26.226 0.300 . 1 . . . . 18 LYS CG . 10166 1 121 . 1 1 18 18 LYS HG2 H 1 1.379 0.030 . 2 . . . . 18 LYS HG2 . 10166 1 122 . 1 1 18 18 LYS HG3 H 1 1.052 0.030 . 2 . . . . 18 LYS HG3 . 10166 1 123 . 1 1 18 18 LYS CD C 13 29.319 0.300 . 1 . . . . 18 LYS CD . 10166 1 124 . 1 1 18 18 LYS HD2 H 1 1.460 0.030 . 2 . . . . 18 LYS HD2 . 10166 1 125 . 1 1 18 18 LYS HD3 H 1 1.514 0.030 . 2 . . . . 18 LYS HD3 . 10166 1 126 . 1 1 18 18 LYS CE C 13 42.192 0.300 . 1 . . . . 18 LYS CE . 10166 1 127 . 1 1 18 18 LYS HE2 H 1 2.921 0.030 . 2 . . . . 18 LYS HE2 . 10166 1 128 . 1 1 18 18 LYS HE3 H 1 2.992 0.030 . 2 . . . . 18 LYS HE3 . 10166 1 129 . 1 1 18 18 LYS C C 13 173.522 0.300 . 1 . . . . 18 LYS C . 10166 1 130 . 1 1 19 19 ALA N N 15 124.052 0.300 . 1 . . . . 19 ALA N . 10166 1 131 . 1 1 19 19 ALA H H 1 7.694 0.030 . 1 . . . . 19 ALA H . 10166 1 132 . 1 1 19 19 ALA CA C 13 50.399 0.300 . 1 . . . . 19 ALA CA . 10166 1 133 . 1 1 19 19 ALA HA H 1 5.061 0.030 . 1 . . . . 19 ALA HA . 10166 1 134 . 1 1 19 19 ALA CB C 13 22.152 0.300 . 1 . . . . 19 ALA CB . 10166 1 135 . 1 1 19 19 ALA HB1 H 1 1.165 0.030 . 1 . . . . 19 ALA HB . 10166 1 136 . 1 1 19 19 ALA HB2 H 1 1.165 0.030 . 1 . . . . 19 ALA HB . 10166 1 137 . 1 1 19 19 ALA HB3 H 1 1.165 0.030 . 1 . . . . 19 ALA HB . 10166 1 138 . 1 1 19 19 ALA C C 13 176.089 0.300 . 1 . . . . 19 ALA C . 10166 1 139 . 1 1 20 20 PHE N N 15 116.696 0.300 . 1 . . . . 20 PHE N . 10166 1 140 . 1 1 20 20 PHE H H 1 8.620 0.030 . 1 . . . . 20 PHE H . 10166 1 141 . 1 1 20 20 PHE CA C 13 57.273 0.300 . 1 . . . . 20 PHE CA . 10166 1 142 . 1 1 20 20 PHE HA H 1 4.731 0.030 . 1 . . . . 20 PHE HA . 10166 1 143 . 1 1 20 20 PHE CB C 13 43.640 0.300 . 1 . . . . 20 PHE CB . 10166 1 144 . 1 1 20 20 PHE HB2 H 1 3.616 0.030 . 2 . . . . 20 PHE HB2 . 10166 1 145 . 1 1 20 20 PHE HB3 H 1 2.596 0.030 . 2 . . . . 20 PHE HB3 . 10166 1 146 . 1 1 20 20 PHE CD1 C 13 132.495 0.300 . 1 . . . . 20 PHE CD1 . 10166 1 147 . 1 1 20 20 PHE HD1 H 1 7.163 0.030 . 1 . . . . 20 PHE HD1 . 10166 1 148 . 1 1 20 20 PHE CD2 C 13 132.495 0.300 . 1 . . . . 20 PHE CD2 . 10166 1 149 . 1 1 20 20 PHE HD2 H 1 7.163 0.030 . 1 . . . . 20 PHE HD2 . 10166 1 150 . 1 1 20 20 PHE CE1 C 13 130.572 0.300 . 1 . . . . 20 PHE CE1 . 10166 1 151 . 1 1 20 20 PHE HE1 H 1 6.854 0.030 . 1 . . . . 20 PHE HE1 . 10166 1 152 . 1 1 20 20 PHE CE2 C 13 130.572 0.300 . 1 . . . . 20 PHE CE2 . 10166 1 153 . 1 1 20 20 PHE HE2 H 1 6.854 0.030 . 1 . . . . 20 PHE HE2 . 10166 1 154 . 1 1 20 20 PHE CZ C 13 128.602 0.300 . 1 . . . . 20 PHE CZ . 10166 1 155 . 1 1 20 20 PHE HZ H 1 6.257 0.030 . 1 . . . . 20 PHE HZ . 10166 1 156 . 1 1 20 20 PHE C C 13 174.983 0.300 . 1 . . . . 20 PHE C . 10166 1 157 . 1 1 21 21 THR N N 15 118.634 0.300 . 1 . . . . 21 THR N . 10166 1 158 . 1 1 21 21 THR H H 1 8.744 0.030 . 1 . . . . 21 THR H . 10166 1 159 . 1 1 21 21 THR CA C 13 66.285 0.300 . 1 . . . . 21 THR CA . 10166 1 160 . 1 1 21 21 THR HA H 1 4.059 0.030 . 1 . . . . 21 THR HA . 10166 1 161 . 1 1 21 21 THR CB C 13 69.676 0.300 . 1 . . . . 21 THR CB . 10166 1 162 . 1 1 21 21 THR HB H 1 3.760 0.030 . 1 . . . . 21 THR HB . 10166 1 163 . 1 1 21 21 THR CG2 C 13 21.927 0.300 . 1 . . . . 21 THR CG2 . 10166 1 164 . 1 1 21 21 THR HG21 H 1 0.584 0.030 . 1 . . . . 21 THR HG2 . 10166 1 165 . 1 1 21 21 THR HG22 H 1 0.584 0.030 . 1 . . . . 21 THR HG2 . 10166 1 166 . 1 1 21 21 THR HG23 H 1 0.584 0.030 . 1 . . . . 21 THR HG2 . 10166 1 167 . 1 1 21 21 THR C C 13 173.364 0.300 . 1 . . . . 21 THR C . 10166 1 168 . 1 1 22 22 PHE N N 15 114.894 0.300 . 1 . . . . 22 PHE N . 10166 1 169 . 1 1 22 22 PHE H H 1 7.843 0.030 . 1 . . . . 22 PHE H . 10166 1 170 . 1 1 22 22 PHE CA C 13 55.721 0.300 . 1 . . . . 22 PHE CA . 10166 1 171 . 1 1 22 22 PHE HA H 1 5.181 0.030 . 1 . . . . 22 PHE HA . 10166 1 172 . 1 1 22 22 PHE CB C 13 42.090 0.300 . 1 . . . . 22 PHE CB . 10166 1 173 . 1 1 22 22 PHE HB2 H 1 3.452 0.030 . 2 . . . . 22 PHE HB2 . 10166 1 174 . 1 1 22 22 PHE HB3 H 1 2.551 0.030 . 2 . . . . 22 PHE HB3 . 10166 1 175 . 1 1 22 22 PHE CD1 C 13 132.090 0.300 . 1 . . . . 22 PHE CD1 . 10166 1 176 . 1 1 22 22 PHE HD1 H 1 7.347 0.030 . 1 . . . . 22 PHE HD1 . 10166 1 177 . 1 1 22 22 PHE CD2 C 13 132.090 0.300 . 1 . . . . 22 PHE CD2 . 10166 1 178 . 1 1 22 22 PHE HD2 H 1 7.347 0.030 . 1 . . . . 22 PHE HD2 . 10166 1 179 . 1 1 22 22 PHE CE1 C 13 131.603 0.300 . 1 . . . . 22 PHE CE1 . 10166 1 180 . 1 1 22 22 PHE HE1 H 1 7.433 0.030 . 1 . . . . 22 PHE HE1 . 10166 1 181 . 1 1 22 22 PHE CE2 C 13 131.603 0.300 . 1 . . . . 22 PHE CE2 . 10166 1 182 . 1 1 22 22 PHE HE2 H 1 7.433 0.030 . 1 . . . . 22 PHE HE2 . 10166 1 183 . 1 1 22 22 PHE CZ C 13 130.270 0.300 . 1 . . . . 22 PHE CZ . 10166 1 184 . 1 1 22 22 PHE HZ H 1 7.374 0.030 . 1 . . . . 22 PHE HZ . 10166 1 185 . 1 1 22 22 PHE C C 13 176.381 0.300 . 1 . . . . 22 PHE C . 10166 1 186 . 1 1 23 23 LYS N N 15 127.457 0.300 . 1 . . . . 23 LYS N . 10166 1 187 . 1 1 23 23 LYS H H 1 8.657 0.030 . 1 . . . . 23 LYS H . 10166 1 188 . 1 1 23 23 LYS CA C 13 59.680 0.300 . 1 . . . . 23 LYS CA . 10166 1 189 . 1 1 23 23 LYS HA H 1 3.019 0.030 . 1 . . . . 23 LYS HA . 10166 1 190 . 1 1 23 23 LYS CB C 13 31.653 0.300 . 1 . . . . 23 LYS CB . 10166 1 191 . 1 1 23 23 LYS HB2 H 1 1.508 0.030 . 2 . . . . 23 LYS HB2 . 10166 1 192 . 1 1 23 23 LYS HB3 H 1 1.017 0.030 . 2 . . . . 23 LYS HB3 . 10166 1 193 . 1 1 23 23 LYS CG C 13 24.941 0.300 . 1 . . . . 23 LYS CG . 10166 1 194 . 1 1 23 23 LYS HG2 H 1 1.020 0.030 . 2 . . . . 23 LYS HG2 . 10166 1 195 . 1 1 23 23 LYS HG3 H 1 1.200 0.030 . 2 . . . . 23 LYS HG3 . 10166 1 196 . 1 1 23 23 LYS CD C 13 29.276 0.300 . 1 . . . . 23 LYS CD . 10166 1 197 . 1 1 23 23 LYS HD2 H 1 1.588 0.030 . 1 . . . . 23 LYS HD2 . 10166 1 198 . 1 1 23 23 LYS HD3 H 1 1.588 0.030 . 1 . . . . 23 LYS HD3 . 10166 1 199 . 1 1 23 23 LYS CE C 13 42.139 0.300 . 1 . . . . 23 LYS CE . 10166 1 200 . 1 1 23 23 LYS HE2 H 1 2.890 0.030 . 2 . . . . 23 LYS HE2 . 10166 1 201 . 1 1 23 23 LYS HE3 H 1 2.947 0.030 . 2 . . . . 23 LYS HE3 . 10166 1 202 . 1 1 23 23 LYS C C 13 178.376 0.300 . 1 . . . . 23 LYS C . 10166 1 203 . 1 1 24 24 SER N N 15 112.175 0.300 . 1 . . . . 24 SER N . 10166 1 204 . 1 1 24 24 SER H H 1 8.574 0.030 . 1 . . . . 24 SER H . 10166 1 205 . 1 1 24 24 SER CA C 13 60.972 0.300 . 1 . . . . 24 SER CA . 10166 1 206 . 1 1 24 24 SER HA H 1 3.910 0.030 . 1 . . . . 24 SER HA . 10166 1 207 . 1 1 24 24 SER CB C 13 61.493 0.300 . 1 . . . . 24 SER CB . 10166 1 208 . 1 1 24 24 SER HB2 H 1 3.831 0.030 . 1 . . . . 24 SER HB2 . 10166 1 209 . 1 1 24 24 SER HB3 H 1 3.831 0.030 . 1 . . . . 24 SER HB3 . 10166 1 210 . 1 1 24 24 SER C C 13 176.806 0.300 . 1 . . . . 24 SER C . 10166 1 211 . 1 1 25 25 GLN N N 15 119.551 0.300 . 1 . . . . 25 GLN N . 10166 1 212 . 1 1 25 25 GLN H H 1 6.928 0.030 . 1 . . . . 25 GLN H . 10166 1 213 . 1 1 25 25 GLN CA C 13 57.625 0.300 . 1 . . . . 25 GLN CA . 10166 1 214 . 1 1 25 25 GLN HA H 1 3.953 0.030 . 1 . . . . 25 GLN HA . 10166 1 215 . 1 1 25 25 GLN CB C 13 28.886 0.300 . 1 . . . . 25 GLN CB . 10166 1 216 . 1 1 25 25 GLN HB2 H 1 2.661 0.030 . 2 . . . . 25 GLN HB2 . 10166 1 217 . 1 1 25 25 GLN HB3 H 1 1.991 0.030 . 2 . . . . 25 GLN HB3 . 10166 1 218 . 1 1 25 25 GLN CG C 13 34.682 0.300 . 1 . . . . 25 GLN CG . 10166 1 219 . 1 1 25 25 GLN HG2 H 1 2.476 0.030 . 2 . . . . 25 GLN HG2 . 10166 1 220 . 1 1 25 25 GLN HG3 H 1 2.567 0.030 . 2 . . . . 25 GLN HG3 . 10166 1 221 . 1 1 25 25 GLN NE2 N 15 112.228 0.300 . 1 . . . . 25 GLN NE2 . 10166 1 222 . 1 1 25 25 GLN HE21 H 1 7.752 0.030 . 2 . . . . 25 GLN HE21 . 10166 1 223 . 1 1 25 25 GLN HE22 H 1 7.278 0.030 . 2 . . . . 25 GLN HE22 . 10166 1 224 . 1 1 25 25 GLN C C 13 178.754 0.300 . 1 . . . . 25 GLN C . 10166 1 225 . 1 1 26 26 LEU N N 15 122.090 0.300 . 1 . . . . 26 LEU N . 10166 1 226 . 1 1 26 26 LEU H H 1 6.947 0.030 . 1 . . . . 26 LEU H . 10166 1 227 . 1 1 26 26 LEU CA C 13 57.533 0.300 . 1 . . . . 26 LEU CA . 10166 1 228 . 1 1 26 26 LEU HA H 1 3.309 0.030 . 1 . . . . 26 LEU HA . 10166 1 229 . 1 1 26 26 LEU CB C 13 40.550 0.300 . 1 . . . . 26 LEU CB . 10166 1 230 . 1 1 26 26 LEU HB2 H 1 2.104 0.030 . 2 . . . . 26 LEU HB2 . 10166 1 231 . 1 1 26 26 LEU HB3 H 1 1.276 0.030 . 2 . . . . 26 LEU HB3 . 10166 1 232 . 1 1 26 26 LEU CG C 13 27.638 0.300 . 1 . . . . 26 LEU CG . 10166 1 233 . 1 1 26 26 LEU HG H 1 1.563 0.030 . 1 . . . . 26 LEU HG . 10166 1 234 . 1 1 26 26 LEU CD1 C 13 26.538 0.300 . 2 . . . . 26 LEU CD1 . 10166 1 235 . 1 1 26 26 LEU HD11 H 1 1.055 0.030 . 1 . . . . 26 LEU HD1 . 10166 1 236 . 1 1 26 26 LEU HD12 H 1 1.055 0.030 . 1 . . . . 26 LEU HD1 . 10166 1 237 . 1 1 26 26 LEU HD13 H 1 1.055 0.030 . 1 . . . . 26 LEU HD1 . 10166 1 238 . 1 1 26 26 LEU CD2 C 13 22.773 0.300 . 2 . . . . 26 LEU CD2 . 10166 1 239 . 1 1 26 26 LEU HD21 H 1 1.050 0.030 . 1 . . . . 26 LEU HD2 . 10166 1 240 . 1 1 26 26 LEU HD22 H 1 1.050 0.030 . 1 . . . . 26 LEU HD2 . 10166 1 241 . 1 1 26 26 LEU HD23 H 1 1.050 0.030 . 1 . . . . 26 LEU HD2 . 10166 1 242 . 1 1 26 26 LEU C C 13 177.318 0.300 . 1 . . . . 26 LEU C . 10166 1 243 . 1 1 27 27 ILE N N 15 118.535 0.300 . 1 . . . . 27 ILE N . 10166 1 244 . 1 1 27 27 ILE H H 1 7.955 0.030 . 1 . . . . 27 ILE H . 10166 1 245 . 1 1 27 27 ILE CA C 13 64.986 0.300 . 1 . . . . 27 ILE CA . 10166 1 246 . 1 1 27 27 ILE HA H 1 3.526 0.030 . 1 . . . . 27 ILE HA . 10166 1 247 . 1 1 27 27 ILE CB C 13 37.335 0.300 . 1 . . . . 27 ILE CB . 10166 1 248 . 1 1 27 27 ILE HB H 1 1.827 0.030 . 1 . . . . 27 ILE HB . 10166 1 249 . 1 1 27 27 ILE CG1 C 13 28.740 0.300 . 1 . . . . 27 ILE CG1 . 10166 1 250 . 1 1 27 27 ILE HG12 H 1 1.216 0.030 . 2 . . . . 27 ILE HG12 . 10166 1 251 . 1 1 27 27 ILE HG13 H 1 1.545 0.030 . 2 . . . . 27 ILE HG13 . 10166 1 252 . 1 1 27 27 ILE CG2 C 13 17.106 0.300 . 1 . . . . 27 ILE CG2 . 10166 1 253 . 1 1 27 27 ILE HG21 H 1 0.860 0.030 . 1 . . . . 27 ILE HG2 . 10166 1 254 . 1 1 27 27 ILE HG22 H 1 0.860 0.030 . 1 . . . . 27 ILE HG2 . 10166 1 255 . 1 1 27 27 ILE HG23 H 1 0.860 0.030 . 1 . . . . 27 ILE HG2 . 10166 1 256 . 1 1 27 27 ILE CD1 C 13 12.385 0.300 . 1 . . . . 27 ILE CD1 . 10166 1 257 . 1 1 27 27 ILE HD11 H 1 0.761 0.030 . 1 . . . . 27 ILE HD1 . 10166 1 258 . 1 1 27 27 ILE HD12 H 1 0.761 0.030 . 1 . . . . 27 ILE HD1 . 10166 1 259 . 1 1 27 27 ILE HD13 H 1 0.761 0.030 . 1 . . . . 27 ILE HD1 . 10166 1 260 . 1 1 27 27 ILE C C 13 179.131 0.300 . 1 . . . . 27 ILE C . 10166 1 261 . 1 1 28 28 VAL N N 15 118.816 0.300 . 1 . . . . 28 VAL N . 10166 1 262 . 1 1 28 28 VAL H H 1 7.337 0.030 . 1 . . . . 28 VAL H . 10166 1 263 . 1 1 28 28 VAL CA C 13 66.188 0.300 . 1 . . . . 28 VAL CA . 10166 1 264 . 1 1 28 28 VAL HA H 1 3.647 0.030 . 1 . . . . 28 VAL HA . 10166 1 265 . 1 1 28 28 VAL CB C 13 32.100 0.300 . 1 . . . . 28 VAL CB . 10166 1 266 . 1 1 28 28 VAL HB H 1 1.929 0.030 . 1 . . . . 28 VAL HB . 10166 1 267 . 1 1 28 28 VAL CG1 C 13 22.683 0.300 . 2 . . . . 28 VAL CG1 . 10166 1 268 . 1 1 28 28 VAL HG11 H 1 1.048 0.030 . 1 . . . . 28 VAL HG1 . 10166 1 269 . 1 1 28 28 VAL HG12 H 1 1.048 0.030 . 1 . . . . 28 VAL HG1 . 10166 1 270 . 1 1 28 28 VAL HG13 H 1 1.048 0.030 . 1 . . . . 28 VAL HG1 . 10166 1 271 . 1 1 28 28 VAL CG2 C 13 21.089 0.300 . 2 . . . . 28 VAL CG2 . 10166 1 272 . 1 1 28 28 VAL HG21 H 1 0.925 0.030 . 1 . . . . 28 VAL HG2 . 10166 1 273 . 1 1 28 28 VAL HG22 H 1 0.925 0.030 . 1 . . . . 28 VAL HG2 . 10166 1 274 . 1 1 28 28 VAL HG23 H 1 0.925 0.030 . 1 . . . . 28 VAL HG2 . 10166 1 275 . 1 1 28 28 VAL C C 13 179.034 0.300 . 1 . . . . 28 VAL C . 10166 1 276 . 1 1 29 29 HIS N N 15 120.386 0.300 . 1 . . . . 29 HIS N . 10166 1 277 . 1 1 29 29 HIS H H 1 7.693 0.030 . 1 . . . . 29 HIS H . 10166 1 278 . 1 1 29 29 HIS CA C 13 59.203 0.300 . 1 . . . . 29 HIS CA . 10166 1 279 . 1 1 29 29 HIS HA H 1 4.191 0.030 . 1 . . . . 29 HIS HA . 10166 1 280 . 1 1 29 29 HIS CB C 13 28.639 0.300 . 1 . . . . 29 HIS CB . 10166 1 281 . 1 1 29 29 HIS HB2 H 1 3.204 0.030 . 2 . . . . 29 HIS HB2 . 10166 1 282 . 1 1 29 29 HIS HB3 H 1 2.859 0.030 . 2 . . . . 29 HIS HB3 . 10166 1 283 . 1 1 29 29 HIS CD2 C 13 127.166 0.300 . 1 . . . . 29 HIS CD2 . 10166 1 284 . 1 1 29 29 HIS HD2 H 1 6.991 0.030 . 1 . . . . 29 HIS HD2 . 10166 1 285 . 1 1 29 29 HIS CE1 C 13 139.920 0.300 . 1 . . . . 29 HIS CE1 . 10166 1 286 . 1 1 29 29 HIS HE1 H 1 8.031 0.030 . 1 . . . . 29 HIS HE1 . 10166 1 287 . 1 1 29 29 HIS C C 13 175.639 0.300 . 1 . . . . 29 HIS C . 10166 1 288 . 1 1 30 30 LYS N N 15 116.039 0.300 . 1 . . . . 30 LYS N . 10166 1 289 . 1 1 30 30 LYS H H 1 8.110 0.030 . 1 . . . . 30 LYS H . 10166 1 290 . 1 1 30 30 LYS CA C 13 59.972 0.300 . 1 . . . . 30 LYS CA . 10166 1 291 . 1 1 30 30 LYS HA H 1 3.744 0.030 . 1 . . . . 30 LYS HA . 10166 1 292 . 1 1 30 30 LYS CB C 13 31.811 0.300 . 1 . . . . 30 LYS CB . 10166 1 293 . 1 1 30 30 LYS HB2 H 1 1.996 0.030 . 1 . . . . 30 LYS HB2 . 10166 1 294 . 1 1 30 30 LYS HB3 H 1 1.996 0.030 . 1 . . . . 30 LYS HB3 . 10166 1 295 . 1 1 30 30 LYS CG C 13 25.897 0.300 . 1 . . . . 30 LYS CG . 10166 1 296 . 1 1 30 30 LYS HG2 H 1 1.817 0.030 . 2 . . . . 30 LYS HG2 . 10166 1 297 . 1 1 30 30 LYS HG3 H 1 1.915 0.030 . 2 . . . . 30 LYS HG3 . 10166 1 298 . 1 1 30 30 LYS CD C 13 29.561 0.300 . 1 . . . . 30 LYS CD . 10166 1 299 . 1 1 30 30 LYS HD2 H 1 1.858 0.030 . 1 . . . . 30 LYS HD2 . 10166 1 300 . 1 1 30 30 LYS HD3 H 1 1.858 0.030 . 1 . . . . 30 LYS HD3 . 10166 1 301 . 1 1 30 30 LYS CE C 13 41.993 0.300 . 1 . . . . 30 LYS CE . 10166 1 302 . 1 1 30 30 LYS HE2 H 1 3.124 0.030 . 2 . . . . 30 LYS HE2 . 10166 1 303 . 1 1 30 30 LYS HE3 H 1 3.226 0.030 . 2 . . . . 30 LYS HE3 . 10166 1 304 . 1 1 30 30 LYS C C 13 178.535 0.300 . 1 . . . . 30 LYS C . 10166 1 305 . 1 1 31 31 GLY N N 15 105.302 0.300 . 1 . . . . 31 GLY N . 10166 1 306 . 1 1 31 31 GLY H H 1 7.535 0.030 . 1 . . . . 31 GLY H . 10166 1 307 . 1 1 31 31 GLY CA C 13 46.631 0.300 . 1 . . . . 31 GLY CA . 10166 1 308 . 1 1 31 31 GLY HA2 H 1 3.896 0.030 . 2 . . . . 31 GLY HA2 . 10166 1 309 . 1 1 31 31 GLY HA3 H 1 4.014 0.030 . 2 . . . . 31 GLY HA3 . 10166 1 310 . 1 1 31 31 GLY C C 13 175.882 0.300 . 1 . . . . 31 GLY C . 10166 1 311 . 1 1 32 32 VAL N N 15 117.819 0.300 . 1 . . . . 32 VAL N . 10166 1 312 . 1 1 32 32 VAL H H 1 8.006 0.030 . 1 . . . . 32 VAL H . 10166 1 313 . 1 1 32 32 VAL CA C 13 63.726 0.300 . 1 . . . . 32 VAL CA . 10166 1 314 . 1 1 32 32 VAL HA H 1 3.991 0.030 . 1 . . . . 32 VAL HA . 10166 1 315 . 1 1 32 32 VAL CB C 13 31.119 0.300 . 1 . . . . 32 VAL CB . 10166 1 316 . 1 1 32 32 VAL HB H 1 1.912 0.030 . 1 . . . . 32 VAL HB . 10166 1 317 . 1 1 32 32 VAL CG1 C 13 19.951 0.300 . 2 . . . . 32 VAL CG1 . 10166 1 318 . 1 1 32 32 VAL HG11 H 1 0.658 0.030 . 1 . . . . 32 VAL HG1 . 10166 1 319 . 1 1 32 32 VAL HG12 H 1 0.658 0.030 . 1 . . . . 32 VAL HG1 . 10166 1 320 . 1 1 32 32 VAL HG13 H 1 0.658 0.030 . 1 . . . . 32 VAL HG1 . 10166 1 321 . 1 1 32 32 VAL CG2 C 13 19.457 0.300 . 2 . . . . 32 VAL CG2 . 10166 1 322 . 1 1 32 32 VAL HG21 H 1 0.454 0.030 . 1 . . . . 32 VAL HG2 . 10166 1 323 . 1 1 32 32 VAL HG22 H 1 0.454 0.030 . 1 . . . . 32 VAL HG2 . 10166 1 324 . 1 1 32 32 VAL HG23 H 1 0.454 0.030 . 1 . . . . 32 VAL HG2 . 10166 1 325 . 1 1 32 32 VAL C C 13 177.331 0.300 . 1 . . . . 32 VAL C . 10166 1 326 . 1 1 33 33 HIS N N 15 117.685 0.300 . 1 . . . . 33 HIS N . 10166 1 327 . 1 1 33 33 HIS H H 1 7.293 0.030 . 1 . . . . 33 HIS H . 10166 1 328 . 1 1 33 33 HIS CA C 13 55.035 0.300 . 1 . . . . 33 HIS CA . 10166 1 329 . 1 1 33 33 HIS HA H 1 4.877 0.030 . 1 . . . . 33 HIS HA . 10166 1 330 . 1 1 33 33 HIS CB C 13 28.797 0.300 . 1 . . . . 33 HIS CB . 10166 1 331 . 1 1 33 33 HIS HB2 H 1 3.385 0.030 . 2 . . . . 33 HIS HB2 . 10166 1 332 . 1 1 33 33 HIS HB3 H 1 3.188 0.030 . 2 . . . . 33 HIS HB3 . 10166 1 333 . 1 1 33 33 HIS CD2 C 13 127.500 0.300 . 1 . . . . 33 HIS CD2 . 10166 1 334 . 1 1 33 33 HIS HD2 H 1 6.669 0.030 . 1 . . . . 33 HIS HD2 . 10166 1 335 . 1 1 33 33 HIS CE1 C 13 139.856 0.300 . 1 . . . . 33 HIS CE1 . 10166 1 336 . 1 1 33 33 HIS HE1 H 1 8.020 0.030 . 1 . . . . 33 HIS HE1 . 10166 1 337 . 1 1 33 33 HIS C C 13 175.408 0.300 . 1 . . . . 33 HIS C . 10166 1 338 . 1 1 34 34 THR N N 15 112.317 0.300 . 1 . . . . 34 THR N . 10166 1 339 . 1 1 34 34 THR H H 1 7.791 0.030 . 1 . . . . 34 THR H . 10166 1 340 . 1 1 34 34 THR CA C 13 62.359 0.300 . 1 . . . . 34 THR CA . 10166 1 341 . 1 1 34 34 THR HA H 1 4.379 0.030 . 1 . . . . 34 THR HA . 10166 1 342 . 1 1 34 34 THR CB C 13 69.838 0.300 . 1 . . . . 34 THR CB . 10166 1 343 . 1 1 34 34 THR HB H 1 4.317 0.030 . 1 . . . . 34 THR HB . 10166 1 344 . 1 1 34 34 THR CG2 C 13 21.616 0.300 . 1 . . . . 34 THR CG2 . 10166 1 345 . 1 1 34 34 THR HG21 H 1 1.254 0.030 . 1 . . . . 34 THR HG2 . 10166 1 346 . 1 1 34 34 THR HG22 H 1 1.254 0.030 . 1 . . . . 34 THR HG2 . 10166 1 347 . 1 1 34 34 THR HG23 H 1 1.254 0.030 . 1 . . . . 34 THR HG2 . 10166 1 348 . 1 1 34 34 THR C C 13 175.262 0.300 . 1 . . . . 34 THR C . 10166 1 349 . 1 1 35 35 GLY N N 15 111.103 0.300 . 1 . . . . 35 GLY N . 10166 1 350 . 1 1 35 35 GLY H H 1 8.318 0.030 . 1 . . . . 35 GLY H . 10166 1 351 . 1 1 35 35 GLY CA C 13 45.398 0.300 . 1 . . . . 35 GLY CA . 10166 1 352 . 1 1 35 35 GLY HA2 H 1 3.994 0.030 . 1 . . . . 35 GLY HA2 . 10166 1 353 . 1 1 35 35 GLY HA3 H 1 3.994 0.030 . 1 . . . . 35 GLY HA3 . 10166 1 354 . 1 1 35 35 GLY C C 13 173.875 0.300 . 1 . . . . 35 GLY C . 10166 1 355 . 1 1 36 36 VAL N N 15 119.868 0.300 . 1 . . . . 36 VAL N . 10166 1 356 . 1 1 36 36 VAL H H 1 7.956 0.030 . 1 . . . . 36 VAL H . 10166 1 357 . 1 1 36 36 VAL CA C 13 62.215 0.300 . 1 . . . . 36 VAL CA . 10166 1 358 . 1 1 36 36 VAL HA H 1 4.087 0.030 . 1 . . . . 36 VAL HA . 10166 1 359 . 1 1 36 36 VAL CB C 13 32.793 0.300 . 1 . . . . 36 VAL CB . 10166 1 360 . 1 1 36 36 VAL HB H 1 2.009 0.030 . 1 . . . . 36 VAL HB . 10166 1 361 . 1 1 36 36 VAL CG1 C 13 20.616 0.300 . 2 . . . . 36 VAL CG1 . 10166 1 362 . 1 1 36 36 VAL HG11 H 1 0.917 0.030 . 1 . . . . 36 VAL HG1 . 10166 1 363 . 1 1 36 36 VAL HG12 H 1 0.917 0.030 . 1 . . . . 36 VAL HG1 . 10166 1 364 . 1 1 36 36 VAL HG13 H 1 0.917 0.030 . 1 . . . . 36 VAL HG1 . 10166 1 365 . 1 1 36 36 VAL CG2 C 13 21.118 0.300 . 2 . . . . 36 VAL CG2 . 10166 1 366 . 1 1 36 36 VAL HG21 H 1 0.911 0.030 . 1 . . . . 36 VAL HG2 . 10166 1 367 . 1 1 36 36 VAL HG22 H 1 0.911 0.030 . 1 . . . . 36 VAL HG2 . 10166 1 368 . 1 1 36 36 VAL HG23 H 1 0.911 0.030 . 1 . . . . 36 VAL HG2 . 10166 1 369 . 1 1 36 36 VAL C C 13 176.041 0.300 . 1 . . . . 36 VAL C . 10166 1 370 . 1 1 37 37 LYS N N 15 127.378 0.300 . 1 . . . . 37 LYS N . 10166 1 371 . 1 1 37 37 LYS H H 1 8.475 0.030 . 1 . . . . 37 LYS H . 10166 1 372 . 1 1 37 37 LYS CA C 13 54.080 0.300 . 1 . . . . 37 LYS CA . 10166 1 373 . 1 1 37 37 LYS HA H 1 4.624 0.030 . 1 . . . . 37 LYS HA . 10166 1 374 . 1 1 37 37 LYS CB C 13 32.545 0.300 . 1 . . . . 37 LYS CB . 10166 1 375 . 1 1 37 37 LYS HB2 H 1 1.735 0.030 . 2 . . . . 37 LYS HB2 . 10166 1 376 . 1 1 37 37 LYS HB3 H 1 1.818 0.030 . 2 . . . . 37 LYS HB3 . 10166 1 377 . 1 1 37 37 LYS CG C 13 24.529 0.300 . 1 . . . . 37 LYS CG . 10166 1 378 . 1 1 37 37 LYS HG2 H 1 1.473 0.030 . 1 . . . . 37 LYS HG2 . 10166 1 379 . 1 1 37 37 LYS HG3 H 1 1.473 0.030 . 1 . . . . 37 LYS HG3 . 10166 1 380 . 1 1 37 37 LYS CD C 13 29.147 0.300 . 1 . . . . 37 LYS CD . 10166 1 381 . 1 1 37 37 LYS HD2 H 1 1.691 0.030 . 1 . . . . 37 LYS HD2 . 10166 1 382 . 1 1 37 37 LYS HD3 H 1 1.691 0.030 . 1 . . . . 37 LYS HD3 . 10166 1 383 . 1 1 37 37 LYS CE C 13 42.174 0.300 . 1 . . . . 37 LYS CE . 10166 1 384 . 1 1 37 37 LYS HE2 H 1 3.003 0.030 . 2 . . . . 37 LYS HE2 . 10166 1 385 . 1 1 37 37 LYS C C 13 174.473 0.300 . 1 . . . . 37 LYS C . 10166 1 386 . 1 1 38 38 PRO CA C 13 63.166 0.300 . 1 . . . . 38 PRO CA . 10166 1 387 . 1 1 38 38 PRO HA H 1 4.465 0.030 . 1 . . . . 38 PRO HA . 10166 1 388 . 1 1 38 38 PRO CB C 13 32.220 0.300 . 1 . . . . 38 PRO CB . 10166 1 389 . 1 1 38 38 PRO HB2 H 1 2.313 0.030 . 1 . . . . 38 PRO HB2 . 10166 1 390 . 1 1 38 38 PRO HB3 H 1 2.313 0.030 . 1 . . . . 38 PRO HB3 . 10166 1 391 . 1 1 38 38 PRO CG C 13 27.419 0.300 . 1 . . . . 38 PRO CG . 10166 1 392 . 1 1 38 38 PRO HG2 H 1 2.031 0.030 . 1 . . . . 38 PRO HG2 . 10166 1 393 . 1 1 38 38 PRO HG3 H 1 2.031 0.030 . 1 . . . . 38 PRO HG3 . 10166 1 394 . 1 1 38 38 PRO CD C 13 50.768 0.300 . 1 . . . . 38 PRO CD . 10166 1 395 . 1 1 38 38 PRO HD2 H 1 3.664 0.030 . 2 . . . . 38 PRO HD2 . 10166 1 396 . 1 1 38 38 PRO HD3 H 1 3.872 0.030 . 2 . . . . 38 PRO HD3 . 10166 1 397 . 1 1 41 41 PRO CA C 13 63.295 0.300 . 1 . . . . 41 PRO CA . 10166 1 398 . 1 1 41 41 PRO HA H 1 4.485 0.030 . 1 . . . . 41 PRO HA . 10166 1 399 . 1 1 41 41 PRO CB C 13 32.225 0.300 . 1 . . . . 41 PRO CB . 10166 1 400 . 1 1 41 41 PRO HB2 H 1 2.313 0.030 . 1 . . . . 41 PRO HB2 . 10166 1 401 . 1 1 41 41 PRO HB3 H 1 2.313 0.030 . 1 . . . . 41 PRO HB3 . 10166 1 402 . 1 1 41 41 PRO CG C 13 27.182 0.300 . 1 . . . . 41 PRO CG . 10166 1 403 . 1 1 41 41 PRO HG2 H 1 2.026 0.030 . 1 . . . . 41 PRO HG2 . 10166 1 404 . 1 1 41 41 PRO HG3 H 1 2.026 0.030 . 1 . . . . 41 PRO HG3 . 10166 1 405 . 1 1 41 41 PRO CD C 13 49.813 0.300 . 1 . . . . 41 PRO CD . 10166 1 406 . 1 1 41 41 PRO HD2 H 1 3.635 0.030 . 1 . . . . 41 PRO HD2 . 10166 1 407 . 1 1 41 41 PRO HD3 H 1 3.635 0.030 . 1 . . . . 41 PRO HD3 . 10166 1 408 . 1 1 43 43 SER CA C 13 58.583 0.300 . 1 . . . . 43 SER CA . 10166 1 409 . 1 1 43 43 SER HA H 1 4.460 0.030 . 1 . . . . 43 SER HA . 10166 1 410 . 1 1 43 43 SER CB C 13 63.880 0.300 . 1 . . . . 43 SER CB . 10166 1 411 . 1 1 43 43 SER HB2 H 1 3.867 0.030 . 2 . . . . 43 SER HB2 . 10166 1 412 . 1 1 43 43 SER HB3 H 1 3.907 0.030 . 2 . . . . 43 SER HB3 . 10166 1 413 . 1 1 43 43 SER C C 13 173.861 0.300 . 1 . . . . 43 SER C . 10166 1 414 . 1 1 44 44 GLY N N 15 116.870 0.300 . 1 . . . . 44 GLY N . 10166 1 415 . 1 1 44 44 GLY H H 1 8.051 0.030 . 1 . . . . 44 GLY H . 10166 1 416 . 1 1 44 44 GLY CA C 13 46.218 0.300 . 1 . . . . 44 GLY CA . 10166 1 417 . 1 1 44 44 GLY HA2 H 1 3.754 0.030 . 2 . . . . 44 GLY HA2 . 10166 1 418 . 1 1 44 44 GLY HA3 H 1 3.809 0.030 . 2 . . . . 44 GLY HA3 . 10166 1 419 . 1 1 44 44 GLY C C 13 178.920 0.300 . 1 . . . . 44 GLY C . 10166 1 stop_ save_