################################### # 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 10216 _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 10216 1 2 '3D 15N-separated NOESY' 1 $sample_1 isotropic 10216 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 HA2 H 1 4.049 0.030 . 1 . . . . 7 GLY HA2 . 10216 1 2 . 1 1 7 7 GLY HA3 H 1 4.049 0.030 . 1 . . . . 7 GLY HA3 . 10216 1 3 . 1 1 7 7 GLY C C 13 174.520 0.300 . 1 . . . . 7 GLY C . 10216 1 4 . 1 1 7 7 GLY CA C 13 45.474 0.300 . 1 . . . . 7 GLY CA . 10216 1 5 . 1 1 8 8 THR H H 1 8.150 0.030 . 1 . . . . 8 THR H . 10216 1 6 . 1 1 8 8 THR HA H 1 4.390 0.030 . 1 . . . . 8 THR HA . 10216 1 7 . 1 1 8 8 THR HB H 1 4.307 0.030 . 1 . . . . 8 THR HB . 10216 1 8 . 1 1 8 8 THR HG21 H 1 1.198 0.030 . 1 . . . . 8 THR HG2 . 10216 1 9 . 1 1 8 8 THR HG22 H 1 1.198 0.030 . 1 . . . . 8 THR HG2 . 10216 1 10 . 1 1 8 8 THR HG23 H 1 1.198 0.030 . 1 . . . . 8 THR HG2 . 10216 1 11 . 1 1 8 8 THR C C 13 175.239 0.300 . 1 . . . . 8 THR C . 10216 1 12 . 1 1 8 8 THR CA C 13 61.894 0.300 . 1 . . . . 8 THR CA . 10216 1 13 . 1 1 8 8 THR CB C 13 69.895 0.300 . 1 . . . . 8 THR CB . 10216 1 14 . 1 1 8 8 THR CG2 C 13 21.519 0.300 . 1 . . . . 8 THR CG2 . 10216 1 15 . 1 1 8 8 THR N N 15 112.793 0.300 . 1 . . . . 8 THR N . 10216 1 16 . 1 1 9 9 GLY H H 1 8.460 0.030 . 1 . . . . 9 GLY H . 10216 1 17 . 1 1 9 9 GLY HA2 H 1 3.935 0.030 . 1 . . . . 9 GLY HA2 . 10216 1 18 . 1 1 9 9 GLY HA3 H 1 3.935 0.030 . 1 . . . . 9 GLY HA3 . 10216 1 19 . 1 1 9 9 GLY C C 13 174.058 0.300 . 1 . . . . 9 GLY C . 10216 1 20 . 1 1 9 9 GLY CA C 13 45.284 0.300 . 1 . . . . 9 GLY CA . 10216 1 21 . 1 1 9 9 GLY N N 15 110.999 0.300 . 1 . . . . 9 GLY N . 10216 1 22 . 1 1 10 10 GLU H H 1 8.232 0.030 . 1 . . . . 10 GLU H . 10216 1 23 . 1 1 10 10 GLU HA H 1 4.221 0.030 . 1 . . . . 10 GLU HA . 10216 1 24 . 1 1 10 10 GLU HB2 H 1 2.017 0.030 . 2 . . . . 10 GLU HB2 . 10216 1 25 . 1 1 10 10 GLU HB3 H 1 1.909 0.030 . 2 . . . . 10 GLU HB3 . 10216 1 26 . 1 1 10 10 GLU HG2 H 1 2.264 0.030 . 1 . . . . 10 GLU HG2 . 10216 1 27 . 1 1 10 10 GLU HG3 H 1 2.264 0.030 . 1 . . . . 10 GLU HG3 . 10216 1 28 . 1 1 10 10 GLU C C 13 176.320 0.300 . 1 . . . . 10 GLU C . 10216 1 29 . 1 1 10 10 GLU CA C 13 56.807 0.300 . 1 . . . . 10 GLU CA . 10216 1 30 . 1 1 10 10 GLU CB C 13 30.485 0.300 . 1 . . . . 10 GLU CB . 10216 1 31 . 1 1 10 10 GLU CG C 13 36.306 0.300 . 1 . . . . 10 GLU CG . 10216 1 32 . 1 1 10 10 GLU N N 15 120.268 0.300 . 1 . . . . 10 GLU N . 10216 1 33 . 1 1 11 11 LYS H H 1 8.293 0.030 . 1 . . . . 11 LYS H . 10216 1 34 . 1 1 11 11 LYS HA H 1 4.511 0.030 . 1 . . . . 11 LYS HA . 10216 1 35 . 1 1 11 11 LYS HB2 H 1 1.578 0.030 . 2 . . . . 11 LYS HB2 . 10216 1 36 . 1 1 11 11 LYS HB3 H 1 1.500 0.030 . 2 . . . . 11 LYS HB3 . 10216 1 37 . 1 1 11 11 LYS HD2 H 1 1.523 0.030 . 1 . . . . 11 LYS HD2 . 10216 1 38 . 1 1 11 11 LYS HD3 H 1 1.523 0.030 . 1 . . . . 11 LYS HD3 . 10216 1 39 . 1 1 11 11 LYS HE2 H 1 2.922 0.030 . 1 . . . . 11 LYS HE2 . 10216 1 40 . 1 1 11 11 LYS HE3 H 1 2.922 0.030 . 1 . . . . 11 LYS HE3 . 10216 1 41 . 1 1 11 11 LYS HG2 H 1 1.213 0.030 . 2 . . . . 11 LYS HG2 . 10216 1 42 . 1 1 11 11 LYS HG3 H 1 1.334 0.030 . 2 . . . . 11 LYS HG3 . 10216 1 43 . 1 1 11 11 LYS C C 13 173.935 0.300 . 1 . . . . 11 LYS C . 10216 1 44 . 1 1 11 11 LYS CA C 13 53.941 0.300 . 1 . . . . 11 LYS CA . 10216 1 45 . 1 1 11 11 LYS CB C 13 32.968 0.300 . 1 . . . . 11 LYS CB . 10216 1 46 . 1 1 11 11 LYS CD C 13 29.237 0.300 . 1 . . . . 11 LYS CD . 10216 1 47 . 1 1 11 11 LYS CE C 13 42.299 0.300 . 1 . . . . 11 LYS CE . 10216 1 48 . 1 1 11 11 LYS CG C 13 24.799 0.300 . 1 . . . . 11 LYS CG . 10216 1 49 . 1 1 11 11 LYS N N 15 121.633 0.300 . 1 . . . . 11 LYS N . 10216 1 50 . 1 1 12 12 PRO HA H 1 4.311 0.030 . 1 . . . . 12 PRO HA . 10216 1 51 . 1 1 12 12 PRO HB2 H 1 1.367 0.030 . 2 . . . . 12 PRO HB2 . 10216 1 52 . 1 1 12 12 PRO HB3 H 1 2.054 0.030 . 2 . . . . 12 PRO HB3 . 10216 1 53 . 1 1 12 12 PRO HD2 H 1 3.649 0.030 . 1 . . . . 12 PRO HD2 . 10216 1 54 . 1 1 12 12 PRO HD3 H 1 3.649 0.030 . 1 . . . . 12 PRO HD3 . 10216 1 55 . 1 1 12 12 PRO HG2 H 1 1.842 0.030 . 2 . . . . 12 PRO HG2 . 10216 1 56 . 1 1 12 12 PRO HG3 H 1 1.714 0.030 . 2 . . . . 12 PRO HG3 . 10216 1 57 . 1 1 12 12 PRO C C 13 176.347 0.300 . 1 . . . . 12 PRO C . 10216 1 58 . 1 1 12 12 PRO CA C 13 63.422 0.300 . 1 . . . . 12 PRO CA . 10216 1 59 . 1 1 12 12 PRO CB C 13 32.261 0.300 . 1 . . . . 12 PRO CB . 10216 1 60 . 1 1 12 12 PRO CD C 13 50.300 0.300 . 1 . . . . 12 PRO CD . 10216 1 61 . 1 1 12 12 PRO CG C 13 26.856 0.300 . 1 . . . . 12 PRO CG . 10216 1 62 . 1 1 13 13 TYR H H 1 8.065 0.030 . 1 . . . . 13 TYR H . 10216 1 63 . 1 1 13 13 TYR HA H 1 4.593 0.030 . 1 . . . . 13 TYR HA . 10216 1 64 . 1 1 13 13 TYR HB2 H 1 2.807 0.030 . 2 . . . . 13 TYR HB2 . 10216 1 65 . 1 1 13 13 TYR HB3 H 1 2.945 0.030 . 2 . . . . 13 TYR HB3 . 10216 1 66 . 1 1 13 13 TYR HD1 H 1 6.996 0.030 . 1 . . . . 13 TYR HD1 . 10216 1 67 . 1 1 13 13 TYR HD2 H 1 6.996 0.030 . 1 . . . . 13 TYR HD2 . 10216 1 68 . 1 1 13 13 TYR HE1 H 1 6.866 0.030 . 1 . . . . 13 TYR HE1 . 10216 1 69 . 1 1 13 13 TYR HE2 H 1 6.866 0.030 . 1 . . . . 13 TYR HE2 . 10216 1 70 . 1 1 13 13 TYR C C 13 174.711 0.300 . 1 . . . . 13 TYR C . 10216 1 71 . 1 1 13 13 TYR CA C 13 57.524 0.300 . 1 . . . . 13 TYR CA . 10216 1 72 . 1 1 13 13 TYR CB C 13 38.493 0.300 . 1 . . . . 13 TYR CB . 10216 1 73 . 1 1 13 13 TYR CD1 C 13 133.060 0.300 . 1 . . . . 13 TYR CD1 . 10216 1 74 . 1 1 13 13 TYR CD2 C 13 133.060 0.300 . 1 . . . . 13 TYR CD2 . 10216 1 75 . 1 1 13 13 TYR CE1 C 13 118.300 0.300 . 1 . . . . 13 TYR CE1 . 10216 1 76 . 1 1 13 13 TYR CE2 C 13 118.300 0.300 . 1 . . . . 13 TYR CE2 . 10216 1 77 . 1 1 13 13 TYR N N 15 118.480 0.300 . 1 . . . . 13 TYR N . 10216 1 78 . 1 1 14 14 GLU H H 1 8.555 0.030 . 1 . . . . 14 GLU H . 10216 1 79 . 1 1 14 14 GLU HA H 1 4.830 0.030 . 1 . . . . 14 GLU HA . 10216 1 80 . 1 1 14 14 GLU HB2 H 1 1.901 0.030 . 2 . . . . 14 GLU HB2 . 10216 1 81 . 1 1 14 14 GLU HB3 H 1 1.869 0.030 . 2 . . . . 14 GLU HB3 . 10216 1 82 . 1 1 14 14 GLU HG2 H 1 2.019 0.030 . 1 . . . . 14 GLU HG2 . 10216 1 83 . 1 1 14 14 GLU HG3 H 1 2.019 0.030 . 1 . . . . 14 GLU HG3 . 10216 1 84 . 1 1 14 14 GLU C C 13 175.283 0.300 . 1 . . . . 14 GLU C . 10216 1 85 . 1 1 14 14 GLU CA C 13 55.294 0.300 . 1 . . . . 14 GLU CA . 10216 1 86 . 1 1 14 14 GLU CB C 13 32.651 0.300 . 1 . . . . 14 GLU CB . 10216 1 87 . 1 1 14 14 GLU CG C 13 36.722 0.300 . 1 . . . . 14 GLU CG . 10216 1 88 . 1 1 14 14 GLU N N 15 124.223 0.300 . 1 . . . . 14 GLU N . 10216 1 89 . 1 1 15 15 CYS H H 1 9.054 0.030 . 1 . . . . 15 CYS H . 10216 1 90 . 1 1 15 15 CYS HA H 1 4.519 0.030 . 1 . . . . 15 CYS HA . 10216 1 91 . 1 1 15 15 CYS HB2 H 1 2.876 0.030 . 2 . . . . 15 CYS HB2 . 10216 1 92 . 1 1 15 15 CYS HB3 H 1 3.417 0.030 . 2 . . . . 15 CYS HB3 . 10216 1 93 . 1 1 15 15 CYS C C 13 176.371 0.300 . 1 . . . . 15 CYS C . 10216 1 94 . 1 1 15 15 CYS CA C 13 59.775 0.300 . 1 . . . . 15 CYS CA . 10216 1 95 . 1 1 15 15 CYS CB C 13 29.834 0.300 . 1 . . . . 15 CYS CB . 10216 1 96 . 1 1 15 15 CYS N N 15 126.124 0.300 . 1 . . . . 15 CYS N . 10216 1 97 . 1 1 16 16 ASN H H 1 9.145 0.030 . 1 . . . . 16 ASN H . 10216 1 98 . 1 1 16 16 ASN HA H 1 4.664 0.030 . 1 . . . . 16 ASN HA . 10216 1 99 . 1 1 16 16 ASN HB2 H 1 2.924 0.030 . 1 . . . . 16 ASN HB2 . 10216 1 100 . 1 1 16 16 ASN HB3 H 1 2.924 0.030 . 1 . . . . 16 ASN HB3 . 10216 1 101 . 1 1 16 16 ASN HD21 H 1 7.691 0.030 . 2 . . . . 16 ASN HD21 . 10216 1 102 . 1 1 16 16 ASN HD22 H 1 6.978 0.030 . 2 . . . . 16 ASN HD22 . 10216 1 103 . 1 1 16 16 ASN C C 13 175.434 0.300 . 1 . . . . 16 ASN C . 10216 1 104 . 1 1 16 16 ASN CA C 13 55.450 0.300 . 1 . . . . 16 ASN CA . 10216 1 105 . 1 1 16 16 ASN CB C 13 38.367 0.300 . 1 . . . . 16 ASN CB . 10216 1 106 . 1 1 16 16 ASN N N 15 128.375 0.300 . 1 . . . . 16 ASN N . 10216 1 107 . 1 1 16 16 ASN ND2 N 15 113.142 0.300 . 1 . . . . 16 ASN ND2 . 10216 1 108 . 1 1 17 17 GLU H H 1 8.940 0.030 . 1 . . . . 17 GLU H . 10216 1 109 . 1 1 17 17 GLU HA H 1 4.309 0.030 . 1 . . . . 17 GLU HA . 10216 1 110 . 1 1 17 17 GLU HB2 H 1 1.467 0.030 . 2 . . . . 17 GLU HB2 . 10216 1 111 . 1 1 17 17 GLU HB3 H 1 1.347 0.030 . 2 . . . . 17 GLU HB3 . 10216 1 112 . 1 1 17 17 GLU HG2 H 1 1.918 0.030 . 2 . . . . 17 GLU HG2 . 10216 1 113 . 1 1 17 17 GLU HG3 H 1 1.824 0.030 . 2 . . . . 17 GLU HG3 . 10216 1 114 . 1 1 17 17 GLU C C 13 176.943 0.300 . 1 . . . . 17 GLU C . 10216 1 115 . 1 1 17 17 GLU CA C 13 58.075 0.300 . 1 . . . . 17 GLU CA . 10216 1 116 . 1 1 17 17 GLU CB C 13 30.005 0.300 . 1 . . . . 17 GLU CB . 10216 1 117 . 1 1 17 17 GLU CG C 13 35.844 0.300 . 1 . . . . 17 GLU CG . 10216 1 118 . 1 1 17 17 GLU N N 15 121.278 0.300 . 1 . . . . 17 GLU N . 10216 1 119 . 1 1 18 18 CYS H H 1 7.884 0.030 . 1 . . . . 18 CYS H . 10216 1 120 . 1 1 18 18 CYS HA H 1 5.030 0.030 . 1 . . . . 18 CYS HA . 10216 1 121 . 1 1 18 18 CYS HB2 H 1 2.920 0.030 . 2 . . . . 18 CYS HB2 . 10216 1 122 . 1 1 18 18 CYS HB3 H 1 3.368 0.030 . 2 . . . . 18 CYS HB3 . 10216 1 123 . 1 1 18 18 CYS C C 13 174.784 0.300 . 1 . . . . 18 CYS C . 10216 1 124 . 1 1 18 18 CYS CA C 13 58.712 0.300 . 1 . . . . 18 CYS CA . 10216 1 125 . 1 1 18 18 CYS CB C 13 31.646 0.300 . 1 . . . . 18 CYS CB . 10216 1 126 . 1 1 18 18 CYS N N 15 116.336 0.300 . 1 . . . . 18 CYS N . 10216 1 127 . 1 1 19 19 GLN H H 1 8.117 0.030 . 1 . . . . 19 GLN H . 10216 1 128 . 1 1 19 19 GLN HA H 1 4.176 0.030 . 1 . . . . 19 GLN HA . 10216 1 129 . 1 1 19 19 GLN HB2 H 1 2.386 0.030 . 2 . . . . 19 GLN HB2 . 10216 1 130 . 1 1 19 19 GLN HB3 H 1 2.286 0.030 . 2 . . . . 19 GLN HB3 . 10216 1 131 . 1 1 19 19 GLN HE21 H 1 6.509 0.030 . 2 . . . . 19 GLN HE21 . 10216 1 132 . 1 1 19 19 GLN HE22 H 1 7.469 0.030 . 2 . . . . 19 GLN HE22 . 10216 1 133 . 1 1 19 19 GLN HG2 H 1 2.348 0.030 . 2 . . . . 19 GLN HG2 . 10216 1 134 . 1 1 19 19 GLN HG3 H 1 2.276 0.030 . 2 . . . . 19 GLN HG3 . 10216 1 135 . 1 1 19 19 GLN C C 13 175.071 0.300 . 1 . . . . 19 GLN C . 10216 1 136 . 1 1 19 19 GLN CA C 13 58.561 0.300 . 1 . . . . 19 GLN CA . 10216 1 137 . 1 1 19 19 GLN CB C 13 26.375 0.300 . 1 . . . . 19 GLN CB . 10216 1 138 . 1 1 19 19 GLN CG C 13 35.318 0.300 . 1 . . . . 19 GLN CG . 10216 1 139 . 1 1 19 19 GLN N N 15 116.253 0.300 . 1 . . . . 19 GLN N . 10216 1 140 . 1 1 19 19 GLN NE2 N 15 112.695 0.300 . 1 . . . . 19 GLN NE2 . 10216 1 141 . 1 1 20 20 LYS H H 1 7.920 0.030 . 1 . . . . 20 LYS H . 10216 1 142 . 1 1 20 20 LYS HA H 1 4.106 0.030 . 1 . . . . 20 LYS HA . 10216 1 143 . 1 1 20 20 LYS HB2 H 1 1.412 0.030 . 2 . . . . 20 LYS HB2 . 10216 1 144 . 1 1 20 20 LYS HB3 H 1 1.288 0.030 . 2 . . . . 20 LYS HB3 . 10216 1 145 . 1 1 20 20 LYS HD2 H 1 1.523 0.030 . 1 . . . . 20 LYS HD2 . 10216 1 146 . 1 1 20 20 LYS HD3 H 1 1.523 0.030 . 1 . . . . 20 LYS HD3 . 10216 1 147 . 1 1 20 20 LYS HE2 H 1 2.987 0.030 . 1 . . . . 20 LYS HE2 . 10216 1 148 . 1 1 20 20 LYS HE3 H 1 2.987 0.030 . 1 . . . . 20 LYS HE3 . 10216 1 149 . 1 1 20 20 LYS HG2 H 1 1.205 0.030 . 2 . . . . 20 LYS HG2 . 10216 1 150 . 1 1 20 20 LYS HG3 H 1 1.512 0.030 . 2 . . . . 20 LYS HG3 . 10216 1 151 . 1 1 20 20 LYS C C 13 173.942 0.300 . 1 . . . . 20 LYS C . 10216 1 152 . 1 1 20 20 LYS CA C 13 57.784 0.300 . 1 . . . . 20 LYS CA . 10216 1 153 . 1 1 20 20 LYS CB C 13 34.257 0.300 . 1 . . . . 20 LYS CB . 10216 1 154 . 1 1 20 20 LYS CD C 13 29.293 0.300 . 1 . . . . 20 LYS CD . 10216 1 155 . 1 1 20 20 LYS CE C 13 42.258 0.300 . 1 . . . . 20 LYS CE . 10216 1 156 . 1 1 20 20 LYS CG C 13 26.373 0.300 . 1 . . . . 20 LYS CG . 10216 1 157 . 1 1 20 20 LYS N N 15 121.537 0.300 . 1 . . . . 20 LYS N . 10216 1 158 . 1 1 21 21 ALA H H 1 7.796 0.030 . 1 . . . . 21 ALA H . 10216 1 159 . 1 1 21 21 ALA HA H 1 5.070 0.030 . 1 . . . . 21 ALA HA . 10216 1 160 . 1 1 21 21 ALA HB1 H 1 1.227 0.030 . 1 . . . . 21 ALA HB . 10216 1 161 . 1 1 21 21 ALA HB2 H 1 1.227 0.030 . 1 . . . . 21 ALA HB . 10216 1 162 . 1 1 21 21 ALA HB3 H 1 1.227 0.030 . 1 . . . . 21 ALA HB . 10216 1 163 . 1 1 21 21 ALA C C 13 176.123 0.300 . 1 . . . . 21 ALA C . 10216 1 164 . 1 1 21 21 ALA CA C 13 50.530 0.300 . 1 . . . . 21 ALA CA . 10216 1 165 . 1 1 21 21 ALA CB C 13 22.271 0.300 . 1 . . . . 21 ALA CB . 10216 1 166 . 1 1 21 21 ALA N N 15 123.395 0.300 . 1 . . . . 21 ALA N . 10216 1 167 . 1 1 22 22 PHE H H 1 8.662 0.030 . 1 . . . . 22 PHE H . 10216 1 168 . 1 1 22 22 PHE HA H 1 4.679 0.030 . 1 . . . . 22 PHE HA . 10216 1 169 . 1 1 22 22 PHE HB2 H 1 2.756 0.030 . 2 . . . . 22 PHE HB2 . 10216 1 170 . 1 1 22 22 PHE HB3 H 1 3.310 0.030 . 2 . . . . 22 PHE HB3 . 10216 1 171 . 1 1 22 22 PHE HD1 H 1 7.247 0.030 . 1 . . . . 22 PHE HD1 . 10216 1 172 . 1 1 22 22 PHE HD2 H 1 7.247 0.030 . 1 . . . . 22 PHE HD2 . 10216 1 173 . 1 1 22 22 PHE HE1 H 1 6.825 0.030 . 1 . . . . 22 PHE HE1 . 10216 1 174 . 1 1 22 22 PHE HE2 H 1 6.825 0.030 . 1 . . . . 22 PHE HE2 . 10216 1 175 . 1 1 22 22 PHE HZ H 1 6.196 0.030 . 1 . . . . 22 PHE HZ . 10216 1 176 . 1 1 22 22 PHE C C 13 175.069 0.300 . 1 . . . . 22 PHE C . 10216 1 177 . 1 1 22 22 PHE CA C 13 57.458 0.300 . 1 . . . . 22 PHE CA . 10216 1 178 . 1 1 22 22 PHE CB C 13 44.024 0.300 . 1 . . . . 22 PHE CB . 10216 1 179 . 1 1 22 22 PHE CD1 C 13 131.997 0.300 . 1 . . . . 22 PHE CD1 . 10216 1 180 . 1 1 22 22 PHE CD2 C 13 131.997 0.300 . 1 . . . . 22 PHE CD2 . 10216 1 181 . 1 1 22 22 PHE CE1 C 13 130.891 0.300 . 1 . . . . 22 PHE CE1 . 10216 1 182 . 1 1 22 22 PHE CE2 C 13 130.891 0.300 . 1 . . . . 22 PHE CE2 . 10216 1 183 . 1 1 22 22 PHE CZ C 13 128.986 0.300 . 1 . . . . 22 PHE CZ . 10216 1 184 . 1 1 22 22 PHE N N 15 116.451 0.300 . 1 . . . . 22 PHE N . 10216 1 185 . 1 1 23 23 ASN HA H 1 4.887 0.030 . 1 . . . . 23 ASN HA . 10216 1 186 . 1 1 23 23 ASN HB2 H 1 3.112 0.030 . 2 . . . . 23 ASN HB2 . 10216 1 187 . 1 1 23 23 ASN HB3 H 1 3.017 0.030 . 2 . . . . 23 ASN HB3 . 10216 1 188 . 1 1 23 23 ASN HD21 H 1 7.749 0.030 . 2 . . . . 23 ASN HD21 . 10216 1 189 . 1 1 23 23 ASN HD22 H 1 7.016 0.030 . 2 . . . . 23 ASN HD22 . 10216 1 190 . 1 1 23 23 ASN C C 13 175.404 0.300 . 1 . . . . 23 ASN C . 10216 1 191 . 1 1 23 23 ASN CA C 13 55.197 0.300 . 1 . . . . 23 ASN CA . 10216 1 192 . 1 1 23 23 ASN CB C 13 39.066 0.300 . 1 . . . . 23 ASN CB . 10216 1 193 . 1 1 23 23 ASN ND2 N 15 112.614 0.300 . 1 . . . . 23 ASN ND2 . 10216 1 194 . 1 1 24 24 THR H H 1 7.425 0.030 . 1 . . . . 24 THR H . 10216 1 195 . 1 1 24 24 THR HA H 1 4.766 0.030 . 1 . . . . 24 THR HA . 10216 1 196 . 1 1 24 24 THR HB H 1 4.462 0.030 . 1 . . . . 24 THR HB . 10216 1 197 . 1 1 24 24 THR HG21 H 1 1.232 0.030 . 1 . . . . 24 THR HG2 . 10216 1 198 . 1 1 24 24 THR HG22 H 1 1.232 0.030 . 1 . . . . 24 THR HG2 . 10216 1 199 . 1 1 24 24 THR HG23 H 1 1.232 0.030 . 1 . . . . 24 THR HG2 . 10216 1 200 . 1 1 24 24 THR C C 13 173.616 0.300 . 1 . . . . 24 THR C . 10216 1 201 . 1 1 24 24 THR CA C 13 58.695 0.300 . 1 . . . . 24 THR CA . 10216 1 202 . 1 1 24 24 THR CB C 13 72.730 0.300 . 1 . . . . 24 THR CB . 10216 1 203 . 1 1 24 24 THR CG2 C 13 21.800 0.300 . 1 . . . . 24 THR CG2 . 10216 1 204 . 1 1 24 24 THR N N 15 106.491 0.300 . 1 . . . . 24 THR N . 10216 1 205 . 1 1 25 25 LYS H H 1 8.323 0.030 . 1 . . . . 25 LYS H . 10216 1 206 . 1 1 25 25 LYS HA H 1 3.194 0.030 . 1 . . . . 25 LYS HA . 10216 1 207 . 1 1 25 25 LYS HB2 H 1 1.305 0.030 . 2 . . . . 25 LYS HB2 . 10216 1 208 . 1 1 25 25 LYS HB3 H 1 1.577 0.030 . 2 . . . . 25 LYS HB3 . 10216 1 209 . 1 1 25 25 LYS HD2 H 1 1.606 0.030 . 2 . . . . 25 LYS HD2 . 10216 1 210 . 1 1 25 25 LYS HD3 H 1 1.656 0.030 . 2 . . . . 25 LYS HD3 . 10216 1 211 . 1 1 25 25 LYS HE2 H 1 2.985 0.030 . 1 . . . . 25 LYS HE2 . 10216 1 212 . 1 1 25 25 LYS HE3 H 1 2.985 0.030 . 1 . . . . 25 LYS HE3 . 10216 1 213 . 1 1 25 25 LYS HG2 H 1 1.127 0.030 . 2 . . . . 25 LYS HG2 . 10216 1 214 . 1 1 25 25 LYS HG3 H 1 1.209 0.030 . 2 . . . . 25 LYS HG3 . 10216 1 215 . 1 1 25 25 LYS C C 13 178.784 0.300 . 1 . . . . 25 LYS C . 10216 1 216 . 1 1 25 25 LYS CA C 13 58.821 0.300 . 1 . . . . 25 LYS CA . 10216 1 217 . 1 1 25 25 LYS CB C 13 31.835 0.300 . 1 . . . . 25 LYS CB . 10216 1 218 . 1 1 25 25 LYS CD C 13 29.209 0.300 . 1 . . . . 25 LYS CD . 10216 1 219 . 1 1 25 25 LYS CE C 13 42.178 0.300 . 1 . . . . 25 LYS CE . 10216 1 220 . 1 1 25 25 LYS CG C 13 25.079 0.300 . 1 . . . . 25 LYS CG . 10216 1 221 . 1 1 25 25 LYS N N 15 124.117 0.300 . 1 . . . . 25 LYS N . 10216 1 222 . 1 1 26 26 SER H H 1 8.351 0.030 . 1 . . . . 26 SER H . 10216 1 223 . 1 1 26 26 SER HA H 1 4.066 0.030 . 1 . . . . 26 SER HA . 10216 1 224 . 1 1 26 26 SER HB2 H 1 3.816 0.030 . 2 . . . . 26 SER HB2 . 10216 1 225 . 1 1 26 26 SER HB3 H 1 3.789 0.030 . 2 . . . . 26 SER HB3 . 10216 1 226 . 1 1 26 26 SER C C 13 176.574 0.300 . 1 . . . . 26 SER C . 10216 1 227 . 1 1 26 26 SER CA C 13 61.540 0.300 . 1 . . . . 26 SER CA . 10216 1 228 . 1 1 26 26 SER CB C 13 62.205 0.300 . 1 . . . . 26 SER CB . 10216 1 229 . 1 1 26 26 SER N N 15 113.534 0.300 . 1 . . . . 26 SER N . 10216 1 230 . 1 1 27 27 ASN H H 1 7.720 0.030 . 1 . . . . 27 ASN H . 10216 1 231 . 1 1 27 27 ASN HA H 1 4.461 0.030 . 1 . . . . 27 ASN HA . 10216 1 232 . 1 1 27 27 ASN HB2 H 1 2.935 0.030 . 2 . . . . 27 ASN HB2 . 10216 1 233 . 1 1 27 27 ASN HB3 H 1 2.841 0.030 . 2 . . . . 27 ASN HB3 . 10216 1 234 . 1 1 27 27 ASN HD21 H 1 7.108 0.030 . 2 . . . . 27 ASN HD21 . 10216 1 235 . 1 1 27 27 ASN HD22 H 1 7.981 0.030 . 2 . . . . 27 ASN HD22 . 10216 1 236 . 1 1 27 27 ASN C C 13 178.233 0.300 . 1 . . . . 27 ASN C . 10216 1 237 . 1 1 27 27 ASN CA C 13 55.387 0.300 . 1 . . . . 27 ASN CA . 10216 1 238 . 1 1 27 27 ASN CB C 13 37.652 0.300 . 1 . . . . 27 ASN CB . 10216 1 239 . 1 1 27 27 ASN N N 15 119.042 0.300 . 1 . . . . 27 ASN N . 10216 1 240 . 1 1 27 27 ASN ND2 N 15 112.855 0.300 . 1 . . . . 27 ASN ND2 . 10216 1 241 . 1 1 28 28 LEU H H 1 7.445 0.030 . 1 . . . . 28 LEU H . 10216 1 242 . 1 1 28 28 LEU HA H 1 3.276 0.030 . 1 . . . . 28 LEU HA . 10216 1 243 . 1 1 28 28 LEU HB2 H 1 1.355 0.030 . 2 . . . . 28 LEU HB2 . 10216 1 244 . 1 1 28 28 LEU HB3 H 1 2.060 0.030 . 2 . . . . 28 LEU HB3 . 10216 1 245 . 1 1 28 28 LEU HD11 H 1 0.992 0.030 . 1 . . . . 28 LEU HD1 . 10216 1 246 . 1 1 28 28 LEU HD12 H 1 0.992 0.030 . 1 . . . . 28 LEU HD1 . 10216 1 247 . 1 1 28 28 LEU HD13 H 1 0.992 0.030 . 1 . . . . 28 LEU HD1 . 10216 1 248 . 1 1 28 28 LEU HD21 H 1 1.001 0.030 . 1 . . . . 28 LEU HD2 . 10216 1 249 . 1 1 28 28 LEU HD22 H 1 1.001 0.030 . 1 . . . . 28 LEU HD2 . 10216 1 250 . 1 1 28 28 LEU HD23 H 1 1.001 0.030 . 1 . . . . 28 LEU HD2 . 10216 1 251 . 1 1 28 28 LEU HG H 1 1.476 0.030 . 1 . . . . 28 LEU HG . 10216 1 252 . 1 1 28 28 LEU C C 13 177.423 0.300 . 1 . . . . 28 LEU C . 10216 1 253 . 1 1 28 28 LEU CA C 13 58.231 0.300 . 1 . . . . 28 LEU CA . 10216 1 254 . 1 1 28 28 LEU CB C 13 40.386 0.300 . 1 . . . . 28 LEU CB . 10216 1 255 . 1 1 28 28 LEU CD1 C 13 22.900 0.300 . 2 . . . . 28 LEU CD1 . 10216 1 256 . 1 1 28 28 LEU CD2 C 13 26.542 0.300 . 2 . . . . 28 LEU CD2 . 10216 1 257 . 1 1 28 28 LEU CG C 13 27.473 0.300 . 1 . . . . 28 LEU CG . 10216 1 258 . 1 1 28 28 LEU N N 15 122.869 0.300 . 1 . . . . 28 LEU N . 10216 1 259 . 1 1 29 29 MET H H 1 8.332 0.030 . 1 . . . . 29 MET H . 10216 1 260 . 1 1 29 29 MET HA H 1 4.187 0.030 . 1 . . . . 29 MET HA . 10216 1 261 . 1 1 29 29 MET HB2 H 1 2.133 0.030 . 1 . . . . 29 MET HB2 . 10216 1 262 . 1 1 29 29 MET HB3 H 1 2.133 0.030 . 1 . . . . 29 MET HB3 . 10216 1 263 . 1 1 29 29 MET HE1 H 1 2.063 0.030 . 1 . . . . 29 MET HE . 10216 1 264 . 1 1 29 29 MET HE2 H 1 2.063 0.030 . 1 . . . . 29 MET HE . 10216 1 265 . 1 1 29 29 MET HE3 H 1 2.063 0.030 . 1 . . . . 29 MET HE . 10216 1 266 . 1 1 29 29 MET HG2 H 1 2.545 0.030 . 2 . . . . 29 MET HG2 . 10216 1 267 . 1 1 29 29 MET HG3 H 1 2.694 0.030 . 2 . . . . 29 MET HG3 . 10216 1 268 . 1 1 29 29 MET C C 13 179.451 0.300 . 1 . . . . 29 MET C . 10216 1 269 . 1 1 29 29 MET CA C 13 59.047 0.300 . 1 . . . . 29 MET CA . 10216 1 270 . 1 1 29 29 MET CB C 13 32.224 0.300 . 1 . . . . 29 MET CB . 10216 1 271 . 1 1 29 29 MET CE C 13 16.809 0.300 . 1 . . . . 29 MET CE . 10216 1 272 . 1 1 29 29 MET CG C 13 31.959 0.300 . 1 . . . . 29 MET CG . 10216 1 273 . 1 1 29 29 MET N N 15 118.924 0.300 . 1 . . . . 29 MET N . 10216 1 274 . 1 1 30 30 VAL H H 1 7.797 0.030 . 1 . . . . 30 VAL H . 10216 1 275 . 1 1 30 30 VAL HA H 1 3.523 0.030 . 1 . . . . 30 VAL HA . 10216 1 276 . 1 1 30 30 VAL HB H 1 1.980 0.030 . 1 . . . . 30 VAL HB . 10216 1 277 . 1 1 30 30 VAL HG11 H 1 0.912 0.030 . 1 . . . . 30 VAL HG1 . 10216 1 278 . 1 1 30 30 VAL HG12 H 1 0.912 0.030 . 1 . . . . 30 VAL HG1 . 10216 1 279 . 1 1 30 30 VAL HG13 H 1 0.912 0.030 . 1 . . . . 30 VAL HG1 . 10216 1 280 . 1 1 30 30 VAL HG21 H 1 1.050 0.030 . 1 . . . . 30 VAL HG2 . 10216 1 281 . 1 1 30 30 VAL HG22 H 1 1.050 0.030 . 1 . . . . 30 VAL HG2 . 10216 1 282 . 1 1 30 30 VAL HG23 H 1 1.050 0.030 . 1 . . . . 30 VAL HG2 . 10216 1 283 . 1 1 30 30 VAL C C 13 179.004 0.300 . 1 . . . . 30 VAL C . 10216 1 284 . 1 1 30 30 VAL CA C 13 66.614 0.300 . 1 . . . . 30 VAL CA . 10216 1 285 . 1 1 30 30 VAL CB C 13 32.139 0.300 . 1 . . . . 30 VAL CB . 10216 1 286 . 1 1 30 30 VAL CG1 C 13 21.149 0.300 . 2 . . . . 30 VAL CG1 . 10216 1 287 . 1 1 30 30 VAL CG2 C 13 22.676 0.300 . 2 . . . . 30 VAL CG2 . 10216 1 288 . 1 1 30 30 VAL N N 15 119.346 0.300 . 1 . . . . 30 VAL N . 10216 1 289 . 1 1 31 31 HIS H H 1 7.373 0.030 . 1 . . . . 31 HIS H . 10216 1 290 . 1 1 31 31 HIS HA H 1 4.217 0.030 . 1 . . . . 31 HIS HA . 10216 1 291 . 1 1 31 31 HIS HB2 H 1 2.723 0.030 . 2 . . . . 31 HIS HB2 . 10216 1 292 . 1 1 31 31 HIS HB3 H 1 2.963 0.030 . 2 . . . . 31 HIS HB3 . 10216 1 293 . 1 1 31 31 HIS HD2 H 1 6.842 0.030 . 1 . . . . 31 HIS HD2 . 10216 1 294 . 1 1 31 31 HIS HE1 H 1 7.951 0.030 . 1 . . . . 31 HIS HE1 . 10216 1 295 . 1 1 31 31 HIS C C 13 178.166 0.300 . 1 . . . . 31 HIS C . 10216 1 296 . 1 1 31 31 HIS CA C 13 59.194 0.300 . 1 . . . . 31 HIS CA . 10216 1 297 . 1 1 31 31 HIS CB C 13 28.095 0.300 . 1 . . . . 31 HIS CB . 10216 1 298 . 1 1 31 31 HIS CD2 C 13 127.373 0.300 . 1 . . . . 31 HIS CD2 . 10216 1 299 . 1 1 31 31 HIS CE1 C 13 139.122 0.300 . 1 . . . . 31 HIS CE1 . 10216 1 300 . 1 1 31 31 HIS N N 15 119.317 0.300 . 1 . . . . 31 HIS N . 10216 1 301 . 1 1 32 32 GLN H H 1 8.912 0.030 . 1 . . . . 32 GLN H . 10216 1 302 . 1 1 32 32 GLN HA H 1 3.660 0.030 . 1 . . . . 32 GLN HA . 10216 1 303 . 1 1 32 32 GLN HB2 H 1 2.318 0.030 . 2 . . . . 32 GLN HB2 . 10216 1 304 . 1 1 32 32 GLN HB3 H 1 2.220 0.030 . 2 . . . . 32 GLN HB3 . 10216 1 305 . 1 1 32 32 GLN HE21 H 1 6.963 0.030 . 2 . . . . 32 GLN HE21 . 10216 1 306 . 1 1 32 32 GLN HE22 H 1 7.603 0.030 . 2 . . . . 32 GLN HE22 . 10216 1 307 . 1 1 32 32 GLN HG2 H 1 2.817 0.030 . 2 . . . . 32 GLN HG2 . 10216 1 308 . 1 1 32 32 GLN HG3 H 1 2.761 0.030 . 2 . . . . 32 GLN HG3 . 10216 1 309 . 1 1 32 32 GLN C C 13 177.784 0.300 . 1 . . . . 32 GLN C . 10216 1 310 . 1 1 32 32 GLN CA C 13 59.952 0.300 . 1 . . . . 32 GLN CA . 10216 1 311 . 1 1 32 32 GLN CB C 13 28.263 0.300 . 1 . . . . 32 GLN CB . 10216 1 312 . 1 1 32 32 GLN CG C 13 35.799 0.300 . 1 . . . . 32 GLN CG . 10216 1 313 . 1 1 32 32 GLN N N 15 120.179 0.300 . 1 . . . . 32 GLN N . 10216 1 314 . 1 1 32 32 GLN NE2 N 15 112.248 0.300 . 1 . . . . 32 GLN NE2 . 10216 1 315 . 1 1 33 33 ARG H H 1 7.262 0.030 . 1 . . . . 33 ARG H . 10216 1 316 . 1 1 33 33 ARG HA H 1 4.208 0.030 . 1 . . . . 33 ARG HA . 10216 1 317 . 1 1 33 33 ARG HB2 H 1 1.956 0.030 . 2 . . . . 33 ARG HB2 . 10216 1 318 . 1 1 33 33 ARG HB3 H 1 1.850 0.030 . 2 . . . . 33 ARG HB3 . 10216 1 319 . 1 1 33 33 ARG HD2 H 1 3.190 0.030 . 1 . . . . 33 ARG HD2 . 10216 1 320 . 1 1 33 33 ARG HD3 H 1 3.190 0.030 . 1 . . . . 33 ARG HD3 . 10216 1 321 . 1 1 33 33 ARG HG2 H 1 1.906 0.030 . 2 . . . . 33 ARG HG2 . 10216 1 322 . 1 1 33 33 ARG HG3 H 1 1.691 0.030 . 2 . . . . 33 ARG HG3 . 10216 1 323 . 1 1 33 33 ARG C C 13 178.239 0.300 . 1 . . . . 33 ARG C . 10216 1 324 . 1 1 33 33 ARG CA C 13 58.523 0.300 . 1 . . . . 33 ARG CA . 10216 1 325 . 1 1 33 33 ARG CB C 13 29.988 0.300 . 1 . . . . 33 ARG CB . 10216 1 326 . 1 1 33 33 ARG CD C 13 43.712 0.300 . 1 . . . . 33 ARG CD . 10216 1 327 . 1 1 33 33 ARG CG C 13 27.616 0.300 . 1 . . . . 33 ARG CG . 10216 1 328 . 1 1 33 33 ARG N N 15 117.576 0.300 . 1 . . . . 33 ARG N . 10216 1 329 . 1 1 34 34 THR H H 1 7.797 0.030 . 1 . . . . 34 THR H . 10216 1 330 . 1 1 34 34 THR HA H 1 4.142 0.030 . 1 . . . . 34 THR HA . 10216 1 331 . 1 1 34 34 THR HB H 1 4.022 0.030 . 1 . . . . 34 THR HB . 10216 1 332 . 1 1 34 34 THR HG21 H 1 1.156 0.030 . 1 . . . . 34 THR HG2 . 10216 1 333 . 1 1 34 34 THR HG22 H 1 1.156 0.030 . 1 . . . . 34 THR HG2 . 10216 1 334 . 1 1 34 34 THR HG23 H 1 1.156 0.030 . 1 . . . . 34 THR HG2 . 10216 1 335 . 1 1 34 34 THR C C 13 175.641 0.300 . 1 . . . . 34 THR C . 10216 1 336 . 1 1 34 34 THR CA C 13 63.920 0.300 . 1 . . . . 34 THR CA . 10216 1 337 . 1 1 34 34 THR CB C 13 69.413 0.300 . 1 . . . . 34 THR CB . 10216 1 338 . 1 1 34 34 THR CG2 C 13 20.965 0.300 . 1 . . . . 34 THR CG2 . 10216 1 339 . 1 1 34 34 THR N N 15 109.658 0.300 . 1 . . . . 34 THR N . 10216 1 340 . 1 1 35 35 HIS H H 1 7.215 0.030 . 1 . . . . 35 HIS H . 10216 1 341 . 1 1 35 35 HIS HA H 1 4.852 0.030 . 1 . . . . 35 HIS HA . 10216 1 342 . 1 1 35 35 HIS HB2 H 1 3.335 0.030 . 2 . . . . 35 HIS HB2 . 10216 1 343 . 1 1 35 35 HIS HB3 H 1 3.215 0.030 . 2 . . . . 35 HIS HB3 . 10216 1 344 . 1 1 35 35 HIS HD2 H 1 6.661 0.030 . 1 . . . . 35 HIS HD2 . 10216 1 345 . 1 1 35 35 HIS HE1 H 1 7.993 0.030 . 1 . . . . 35 HIS HE1 . 10216 1 346 . 1 1 35 35 HIS C C 13 175.704 0.300 . 1 . . . . 35 HIS C . 10216 1 347 . 1 1 35 35 HIS CA C 13 55.632 0.300 . 1 . . . . 35 HIS CA . 10216 1 348 . 1 1 35 35 HIS CB C 13 28.783 0.300 . 1 . . . . 35 HIS CB . 10216 1 349 . 1 1 35 35 HIS CD2 C 13 127.084 0.300 . 1 . . . . 35 HIS CD2 . 10216 1 350 . 1 1 35 35 HIS CE1 C 13 139.756 0.300 . 1 . . . . 35 HIS CE1 . 10216 1 351 . 1 1 35 35 HIS N N 15 118.639 0.300 . 1 . . . . 35 HIS N . 10216 1 352 . 1 1 36 36 THR H H 1 7.818 0.030 . 1 . . . . 36 THR H . 10216 1 353 . 1 1 36 36 THR HA H 1 4.397 0.030 . 1 . . . . 36 THR HA . 10216 1 354 . 1 1 36 36 THR HB H 1 4.339 0.030 . 1 . . . . 36 THR HB . 10216 1 355 . 1 1 36 36 THR HG21 H 1 1.245 0.030 . 1 . . . . 36 THR HG2 . 10216 1 356 . 1 1 36 36 THR HG22 H 1 1.245 0.030 . 1 . . . . 36 THR HG2 . 10216 1 357 . 1 1 36 36 THR HG23 H 1 1.245 0.030 . 1 . . . . 36 THR HG2 . 10216 1 358 . 1 1 36 36 THR C C 13 175.429 0.300 . 1 . . . . 36 THR C . 10216 1 359 . 1 1 36 36 THR CA C 13 62.294 0.300 . 1 . . . . 36 THR CA . 10216 1 360 . 1 1 36 36 THR CB C 13 69.885 0.300 . 1 . . . . 36 THR CB . 10216 1 361 . 1 1 36 36 THR CG2 C 13 21.600 0.300 . 1 . . . . 36 THR CG2 . 10216 1 362 . 1 1 36 36 THR N N 15 111.712 0.300 . 1 . . . . 36 THR N . 10216 1 363 . 1 1 37 37 GLY H H 1 8.273 0.030 . 1 . . . . 37 GLY H . 10216 1 364 . 1 1 37 37 GLY HA2 H 1 4.055 0.030 . 2 . . . . 37 GLY HA2 . 10216 1 365 . 1 1 37 37 GLY HA3 H 1 3.985 0.030 . 2 . . . . 37 GLY HA3 . 10216 1 366 . 1 1 37 37 GLY C C 13 174.325 0.300 . 1 . . . . 37 GLY C . 10216 1 367 . 1 1 37 37 GLY CA C 13 45.477 0.300 . 1 . . . . 37 GLY CA . 10216 1 368 . 1 1 37 37 GLY N N 15 110.839 0.300 . 1 . . . . 37 GLY N . 10216 1 369 . 1 1 38 38 GLU H H 1 8.210 0.030 . 1 . . . . 38 GLU H . 10216 1 370 . 1 1 38 38 GLU HA H 1 4.330 0.030 . 1 . . . . 38 GLU HA . 10216 1 371 . 1 1 38 38 GLU HB2 H 1 2.077 0.030 . 2 . . . . 38 GLU HB2 . 10216 1 372 . 1 1 38 38 GLU HB3 H 1 1.932 0.030 . 2 . . . . 38 GLU HB3 . 10216 1 373 . 1 1 38 38 GLU HG2 H 1 2.265 0.030 . 1 . . . . 38 GLU HG2 . 10216 1 374 . 1 1 38 38 GLU HG3 H 1 2.265 0.030 . 1 . . . . 38 GLU HG3 . 10216 1 375 . 1 1 38 38 GLU C C 13 176.563 0.300 . 1 . . . . 38 GLU C . 10216 1 376 . 1 1 38 38 GLU CA C 13 56.675 0.300 . 1 . . . . 38 GLU CA . 10216 1 377 . 1 1 38 38 GLU CB C 13 30.528 0.300 . 1 . . . . 38 GLU CB . 10216 1 378 . 1 1 38 38 GLU CG C 13 36.318 0.300 . 1 . . . . 38 GLU CG . 10216 1 379 . 1 1 38 38 GLU N N 15 120.721 0.300 . 1 . . . . 38 GLU N . 10216 1 380 . 1 1 39 39 SER H H 1 8.419 0.030 . 1 . . . . 39 SER H . 10216 1 381 . 1 1 39 39 SER HA H 1 4.499 0.030 . 1 . . . . 39 SER HA . 10216 1 382 . 1 1 39 39 SER HB2 H 1 3.877 0.030 . 1 . . . . 39 SER HB2 . 10216 1 383 . 1 1 39 39 SER HB3 H 1 3.877 0.030 . 1 . . . . 39 SER HB3 . 10216 1 384 . 1 1 39 39 SER C C 13 174.576 0.300 . 1 . . . . 39 SER C . 10216 1 385 . 1 1 39 39 SER CA C 13 58.389 0.300 . 1 . . . . 39 SER CA . 10216 1 386 . 1 1 39 39 SER CB C 13 64.005 0.300 . 1 . . . . 39 SER CB . 10216 1 387 . 1 1 39 39 SER N N 15 116.775 0.300 . 1 . . . . 39 SER N . 10216 1 388 . 1 1 40 40 GLY H H 1 8.241 0.030 . 1 . . . . 40 GLY H . 10216 1 389 . 1 1 40 40 GLY HA2 H 1 4.166 0.030 . 2 . . . . 40 GLY HA2 . 10216 1 390 . 1 1 40 40 GLY HA3 H 1 4.077 0.030 . 2 . . . . 40 GLY HA3 . 10216 1 391 . 1 1 40 40 GLY C C 13 171.716 0.300 . 1 . . . . 40 GLY C . 10216 1 392 . 1 1 40 40 GLY CA C 13 44.659 0.300 . 1 . . . . 40 GLY CA . 10216 1 393 . 1 1 40 40 GLY N N 15 110.604 0.300 . 1 . . . . 40 GLY N . 10216 1 394 . 1 1 41 41 PRO HA H 1 4.486 0.030 . 1 . . . . 41 PRO HA . 10216 1 395 . 1 1 41 41 PRO HB2 H 1 2.302 0.030 . 1 . . . . 41 PRO HB2 . 10216 1 396 . 1 1 41 41 PRO HB3 H 1 2.302 0.030 . 1 . . . . 41 PRO HB3 . 10216 1 397 . 1 1 41 41 PRO HD2 H 1 3.627 0.030 . 1 . . . . 41 PRO HD2 . 10216 1 398 . 1 1 41 41 PRO HD3 H 1 3.627 0.030 . 1 . . . . 41 PRO HD3 . 10216 1 399 . 1 1 41 41 PRO HG2 H 1 2.022 0.030 . 1 . . . . 41 PRO HG2 . 10216 1 400 . 1 1 41 41 PRO HG3 H 1 2.022 0.030 . 1 . . . . 41 PRO HG3 . 10216 1 401 . 1 1 41 41 PRO C C 13 177.364 0.300 . 1 . . . . 41 PRO C . 10216 1 402 . 1 1 41 41 PRO CA C 13 63.199 0.300 . 1 . . . . 41 PRO CA . 10216 1 403 . 1 1 41 41 PRO CB C 13 32.225 0.300 . 1 . . . . 41 PRO CB . 10216 1 404 . 1 1 41 41 PRO CD C 13 49.824 0.300 . 1 . . . . 41 PRO CD . 10216 1 405 . 1 1 41 41 PRO CG C 13 27.162 0.300 . 1 . . . . 41 PRO CG . 10216 1 406 . 1 1 42 42 SER H H 1 8.534 0.030 . 1 . . . . 42 SER H . 10216 1 407 . 1 1 42 42 SER C C 13 174.655 0.300 . 1 . . . . 42 SER C . 10216 1 408 . 1 1 42 42 SER N N 15 116.525 0.300 . 1 . . . . 42 SER N . 10216 1 stop_ save_