################################### # 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 10229 _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 10229 1 2 '3D 15N-separated NOESY' 1 $sample_1 isotropic 10229 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 3.956 0.030 . 1 . . . . 7 GLY HA2 . 10229 1 2 . 1 1 7 7 GLY HA3 H 1 3.956 0.030 . 1 . . . . 7 GLY HA3 . 10229 1 3 . 1 1 7 7 GLY C C 13 174.066 0.300 . 1 . . . . 7 GLY C . 10229 1 4 . 1 1 7 7 GLY CA C 13 45.322 0.300 . 1 . . . . 7 GLY CA . 10229 1 5 . 1 1 8 8 GLN H H 1 8.173 0.030 . 1 . . . . 8 GLN H . 10229 1 6 . 1 1 8 8 GLN HA H 1 4.244 0.030 . 1 . . . . 8 GLN HA . 10229 1 7 . 1 1 8 8 GLN HB2 H 1 2.049 0.030 . 2 . . . . 8 GLN HB2 . 10229 1 8 . 1 1 8 8 GLN HB3 H 1 1.949 0.030 . 2 . . . . 8 GLN HB3 . 10229 1 9 . 1 1 8 8 GLN HE21 H 1 7.538 0.030 . 2 . . . . 8 GLN HE21 . 10229 1 10 . 1 1 8 8 GLN HE22 H 1 6.859 0.030 . 2 . . . . 8 GLN HE22 . 10229 1 11 . 1 1 8 8 GLN HG2 H 1 2.337 0.030 . 1 . . . . 8 GLN HG2 . 10229 1 12 . 1 1 8 8 GLN HG3 H 1 2.337 0.030 . 1 . . . . 8 GLN HG3 . 10229 1 13 . 1 1 8 8 GLN C C 13 176.010 0.300 . 1 . . . . 8 GLN C . 10229 1 14 . 1 1 8 8 GLN CA C 13 56.057 0.300 . 1 . . . . 8 GLN CA . 10229 1 15 . 1 1 8 8 GLN CB C 13 29.452 0.300 . 1 . . . . 8 GLN CB . 10229 1 16 . 1 1 8 8 GLN CG C 13 33.895 0.300 . 1 . . . . 8 GLN CG . 10229 1 17 . 1 1 8 8 GLN N N 15 119.348 0.300 . 1 . . . . 8 GLN N . 10229 1 18 . 1 1 8 8 GLN NE2 N 15 112.668 0.300 . 1 . . . . 8 GLN NE2 . 10229 1 19 . 1 1 9 9 LYS H H 1 8.307 0.030 . 1 . . . . 9 LYS H . 10229 1 20 . 1 1 9 9 LYS HA H 1 4.522 0.030 . 1 . . . . 9 LYS HA . 10229 1 21 . 1 1 9 9 LYS HB2 H 1 1.537 0.030 . 2 . . . . 9 LYS HB2 . 10229 1 22 . 1 1 9 9 LYS HB3 H 1 1.369 0.030 . 2 . . . . 9 LYS HB3 . 10229 1 23 . 1 1 9 9 LYS HD2 H 1 1.510 0.030 . 2 . . . . 9 LYS HD2 . 10229 1 24 . 1 1 9 9 LYS HD3 H 1 1.462 0.030 . 2 . . . . 9 LYS HD3 . 10229 1 25 . 1 1 9 9 LYS HE2 H 1 2.908 0.030 . 1 . . . . 9 LYS HE2 . 10229 1 26 . 1 1 9 9 LYS HE3 H 1 2.908 0.030 . 1 . . . . 9 LYS HE3 . 10229 1 27 . 1 1 9 9 LYS HG2 H 1 1.309 0.030 . 2 . . . . 9 LYS HG2 . 10229 1 28 . 1 1 9 9 LYS HG3 H 1 1.130 0.030 . 2 . . . . 9 LYS HG3 . 10229 1 29 . 1 1 9 9 LYS C C 13 173.766 0.300 . 1 . . . . 9 LYS C . 10229 1 30 . 1 1 9 9 LYS CA C 13 53.843 0.300 . 1 . . . . 9 LYS CA . 10229 1 31 . 1 1 9 9 LYS CB C 13 33.164 0.300 . 1 . . . . 9 LYS CB . 10229 1 32 . 1 1 9 9 LYS CD C 13 29.492 0.300 . 1 . . . . 9 LYS CD . 10229 1 33 . 1 1 9 9 LYS CE C 13 42.271 0.300 . 1 . . . . 9 LYS CE . 10229 1 34 . 1 1 9 9 LYS CG C 13 24.821 0.300 . 1 . . . . 9 LYS CG . 10229 1 35 . 1 1 9 9 LYS N N 15 122.358 0.300 . 1 . . . . 9 LYS N . 10229 1 36 . 1 1 10 10 PRO HA H 1 4.279 0.030 . 1 . . . . 10 PRO HA . 10229 1 37 . 1 1 10 10 PRO HB2 H 1 2.006 0.030 . 2 . . . . 10 PRO HB2 . 10229 1 38 . 1 1 10 10 PRO HB3 H 1 1.235 0.030 . 2 . . . . 10 PRO HB3 . 10229 1 39 . 1 1 10 10 PRO HD2 H 1 3.659 0.030 . 2 . . . . 10 PRO HD2 . 10229 1 40 . 1 1 10 10 PRO HD3 H 1 3.594 0.030 . 2 . . . . 10 PRO HD3 . 10229 1 41 . 1 1 10 10 PRO HG2 H 1 1.774 0.030 . 2 . . . . 10 PRO HG2 . 10229 1 42 . 1 1 10 10 PRO HG3 H 1 1.502 0.030 . 2 . . . . 10 PRO HG3 . 10229 1 43 . 1 1 10 10 PRO C C 13 176.401 0.300 . 1 . . . . 10 PRO C . 10229 1 44 . 1 1 10 10 PRO CA C 13 63.416 0.300 . 1 . . . . 10 PRO CA . 10229 1 45 . 1 1 10 10 PRO CB C 13 32.288 0.300 . 1 . . . . 10 PRO CB . 10229 1 46 . 1 1 10 10 PRO CD C 13 50.144 0.300 . 1 . . . . 10 PRO CD . 10229 1 47 . 1 1 10 10 PRO CG C 13 26.456 0.300 . 1 . . . . 10 PRO CG . 10229 1 48 . 1 1 11 11 TYR H H 1 7.923 0.030 . 1 . . . . 11 TYR H . 10229 1 49 . 1 1 11 11 TYR HA H 1 4.623 0.030 . 1 . . . . 11 TYR HA . 10229 1 50 . 1 1 11 11 TYR HB2 H 1 2.984 0.030 . 2 . . . . 11 TYR HB2 . 10229 1 51 . 1 1 11 11 TYR HB3 H 1 2.861 0.030 . 2 . . . . 11 TYR HB3 . 10229 1 52 . 1 1 11 11 TYR HD1 H 1 7.051 0.030 . 1 . . . . 11 TYR HD1 . 10229 1 53 . 1 1 11 11 TYR HD2 H 1 7.051 0.030 . 1 . . . . 11 TYR HD2 . 10229 1 54 . 1 1 11 11 TYR HE1 H 1 6.920 0.030 . 1 . . . . 11 TYR HE1 . 10229 1 55 . 1 1 11 11 TYR HE2 H 1 6.920 0.030 . 1 . . . . 11 TYR HE2 . 10229 1 56 . 1 1 11 11 TYR C C 13 174.286 0.300 . 1 . . . . 11 TYR C . 10229 1 57 . 1 1 11 11 TYR CA C 13 57.971 0.300 . 1 . . . . 11 TYR CA . 10229 1 58 . 1 1 11 11 TYR CB C 13 38.024 0.300 . 1 . . . . 11 TYR CB . 10229 1 59 . 1 1 11 11 TYR CD1 C 13 133.309 0.300 . 1 . . . . 11 TYR CD1 . 10229 1 60 . 1 1 11 11 TYR CD2 C 13 133.309 0.300 . 1 . . . . 11 TYR CD2 . 10229 1 61 . 1 1 11 11 TYR CE1 C 13 118.465 0.300 . 1 . . . . 11 TYR CE1 . 10229 1 62 . 1 1 11 11 TYR CE2 C 13 118.465 0.300 . 1 . . . . 11 TYR CE2 . 10229 1 63 . 1 1 11 11 TYR N N 15 119.366 0.300 . 1 . . . . 11 TYR N . 10229 1 64 . 1 1 12 12 VAL H H 1 8.401 0.030 . 1 . . . . 12 VAL H . 10229 1 65 . 1 1 12 12 VAL HA H 1 4.579 0.030 . 1 . . . . 12 VAL HA . 10229 1 66 . 1 1 12 12 VAL HB H 1 1.838 0.030 . 1 . . . . 12 VAL HB . 10229 1 67 . 1 1 12 12 VAL HG11 H 1 0.737 0.030 . 1 . . . . 12 VAL HG1 . 10229 1 68 . 1 1 12 12 VAL HG12 H 1 0.737 0.030 . 1 . . . . 12 VAL HG1 . 10229 1 69 . 1 1 12 12 VAL HG13 H 1 0.737 0.030 . 1 . . . . 12 VAL HG1 . 10229 1 70 . 1 1 12 12 VAL HG21 H 1 0.800 0.030 . 1 . . . . 12 VAL HG2 . 10229 1 71 . 1 1 12 12 VAL HG22 H 1 0.800 0.030 . 1 . . . . 12 VAL HG2 . 10229 1 72 . 1 1 12 12 VAL HG23 H 1 0.800 0.030 . 1 . . . . 12 VAL HG2 . 10229 1 73 . 1 1 12 12 VAL C C 13 175.233 0.300 . 1 . . . . 12 VAL C . 10229 1 74 . 1 1 12 12 VAL CA C 13 61.292 0.300 . 1 . . . . 12 VAL CA . 10229 1 75 . 1 1 12 12 VAL CB C 13 34.524 0.300 . 1 . . . . 12 VAL CB . 10229 1 76 . 1 1 12 12 VAL CG1 C 13 20.915 0.300 . 2 . . . . 12 VAL CG1 . 10229 1 77 . 1 1 12 12 VAL CG2 C 13 21.316 0.300 . 2 . . . . 12 VAL CG2 . 10229 1 78 . 1 1 12 12 VAL N N 15 125.266 0.300 . 1 . . . . 12 VAL N . 10229 1 79 . 1 1 13 13 CYS H H 1 9.209 0.030 . 1 . . . . 13 CYS H . 10229 1 80 . 1 1 13 13 CYS HA H 1 4.594 0.030 . 1 . . . . 13 CYS HA . 10229 1 81 . 1 1 13 13 CYS HB2 H 1 2.907 0.030 . 2 . . . . 13 CYS HB2 . 10229 1 82 . 1 1 13 13 CYS HB3 H 1 3.372 0.030 . 2 . . . . 13 CYS HB3 . 10229 1 83 . 1 1 13 13 CYS C C 13 177.334 0.300 . 1 . . . . 13 CYS C . 10229 1 84 . 1 1 13 13 CYS CA C 13 59.708 0.300 . 1 . . . . 13 CYS CA . 10229 1 85 . 1 1 13 13 CYS CB C 13 29.650 0.300 . 1 . . . . 13 CYS CB . 10229 1 86 . 1 1 13 13 CYS N N 15 129.222 0.300 . 1 . . . . 13 CYS N . 10229 1 87 . 1 1 14 14 ASN H H 1 9.507 0.030 . 1 . . . . 14 ASN H . 10229 1 88 . 1 1 14 14 ASN HA H 1 4.511 0.030 . 1 . . . . 14 ASN HA . 10229 1 89 . 1 1 14 14 ASN HB2 H 1 2.904 0.030 . 2 . . . . 14 ASN HB2 . 10229 1 90 . 1 1 14 14 ASN HB3 H 1 2.859 0.030 . 2 . . . . 14 ASN HB3 . 10229 1 91 . 1 1 14 14 ASN HD21 H 1 7.784 0.030 . 2 . . . . 14 ASN HD21 . 10229 1 92 . 1 1 14 14 ASN HD22 H 1 6.966 0.030 . 2 . . . . 14 ASN HD22 . 10229 1 93 . 1 1 14 14 ASN C C 13 175.327 0.300 . 1 . . . . 14 ASN C . 10229 1 94 . 1 1 14 14 ASN CA C 13 55.760 0.300 . 1 . . . . 14 ASN CA . 10229 1 95 . 1 1 14 14 ASN CB C 13 38.946 0.300 . 1 . . . . 14 ASN CB . 10229 1 96 . 1 1 14 14 ASN N N 15 130.952 0.300 . 1 . . . . 14 ASN N . 10229 1 97 . 1 1 14 14 ASN ND2 N 15 113.934 0.300 . 1 . . . . 14 ASN ND2 . 10229 1 98 . 1 1 15 15 GLU H H 1 8.759 0.030 . 1 . . . . 15 GLU H . 10229 1 99 . 1 1 15 15 GLU HA H 1 4.236 0.030 . 1 . . . . 15 GLU HA . 10229 1 100 . 1 1 15 15 GLU HB2 H 1 1.366 0.030 . 2 . . . . 15 GLU HB2 . 10229 1 101 . 1 1 15 15 GLU HB3 H 1 1.277 0.030 . 2 . . . . 15 GLU HB3 . 10229 1 102 . 1 1 15 15 GLU HG2 H 1 1.753 0.030 . 2 . . . . 15 GLU HG2 . 10229 1 103 . 1 1 15 15 GLU HG3 H 1 1.823 0.030 . 2 . . . . 15 GLU HG3 . 10229 1 104 . 1 1 15 15 GLU C C 13 177.222 0.300 . 1 . . . . 15 GLU C . 10229 1 105 . 1 1 15 15 GLU CA C 13 58.127 0.300 . 1 . . . . 15 GLU CA . 10229 1 106 . 1 1 15 15 GLU CB C 13 29.464 0.300 . 1 . . . . 15 GLU CB . 10229 1 107 . 1 1 15 15 GLU CG C 13 35.175 0.300 . 1 . . . . 15 GLU CG . 10229 1 108 . 1 1 15 15 GLU N N 15 120.367 0.300 . 1 . . . . 15 GLU N . 10229 1 109 . 1 1 16 16 CYS H H 1 8.075 0.030 . 1 . . . . 16 CYS H . 10229 1 110 . 1 1 16 16 CYS HA H 1 5.189 0.030 . 1 . . . . 16 CYS HA . 10229 1 111 . 1 1 16 16 CYS HB2 H 1 2.815 0.030 . 2 . . . . 16 CYS HB2 . 10229 1 112 . 1 1 16 16 CYS HB3 H 1 3.445 0.030 . 2 . . . . 16 CYS HB3 . 10229 1 113 . 1 1 16 16 CYS C C 13 176.487 0.300 . 1 . . . . 16 CYS C . 10229 1 114 . 1 1 16 16 CYS CA C 13 58.273 0.300 . 1 . . . . 16 CYS CA . 10229 1 115 . 1 1 16 16 CYS CB C 13 32.589 0.300 . 1 . . . . 16 CYS CB . 10229 1 116 . 1 1 16 16 CYS N N 15 115.028 0.300 . 1 . . . . 16 CYS N . 10229 1 117 . 1 1 17 17 GLY H H 1 8.119 0.030 . 1 . . . . 17 GLY H . 10229 1 118 . 1 1 17 17 GLY HA2 H 1 3.740 0.030 . 2 . . . . 17 GLY HA2 . 10229 1 119 . 1 1 17 17 GLY HA3 H 1 4.184 0.030 . 2 . . . . 17 GLY HA3 . 10229 1 120 . 1 1 17 17 GLY C C 13 173.579 0.300 . 1 . . . . 17 GLY C . 10229 1 121 . 1 1 17 17 GLY CA C 13 46.154 0.300 . 1 . . . . 17 GLY CA . 10229 1 122 . 1 1 17 17 GLY N N 15 113.446 0.300 . 1 . . . . 17 GLY N . 10229 1 123 . 1 1 18 18 LYS H H 1 7.999 0.030 . 1 . . . . 18 LYS H . 10229 1 124 . 1 1 18 18 LYS HA H 1 3.902 0.030 . 1 . . . . 18 LYS HA . 10229 1 125 . 1 1 18 18 LYS HB2 H 1 1.162 0.030 . 2 . . . . 18 LYS HB2 . 10229 1 126 . 1 1 18 18 LYS HB3 H 1 1.417 0.030 . 2 . . . . 18 LYS HB3 . 10229 1 127 . 1 1 18 18 LYS HD2 H 1 1.515 0.030 . 2 . . . . 18 LYS HD2 . 10229 1 128 . 1 1 18 18 LYS HD3 H 1 1.460 0.030 . 2 . . . . 18 LYS HD3 . 10229 1 129 . 1 1 18 18 LYS HE2 H 1 2.974 0.030 . 2 . . . . 18 LYS HE2 . 10229 1 130 . 1 1 18 18 LYS HE3 H 1 2.905 0.030 . 2 . . . . 18 LYS HE3 . 10229 1 131 . 1 1 18 18 LYS HG2 H 1 1.359 0.030 . 2 . . . . 18 LYS HG2 . 10229 1 132 . 1 1 18 18 LYS HG3 H 1 1.043 0.030 . 2 . . . . 18 LYS HG3 . 10229 1 133 . 1 1 18 18 LYS C C 13 173.431 0.300 . 1 . . . . 18 LYS C . 10229 1 134 . 1 1 18 18 LYS CA C 13 58.308 0.300 . 1 . . . . 18 LYS CA . 10229 1 135 . 1 1 18 18 LYS CB C 13 33.373 0.300 . 1 . . . . 18 LYS CB . 10229 1 136 . 1 1 18 18 LYS CD C 13 29.384 0.300 . 1 . . . . 18 LYS CD . 10229 1 137 . 1 1 18 18 LYS CE C 13 42.191 0.300 . 1 . . . . 18 LYS CE . 10229 1 138 . 1 1 18 18 LYS CG C 13 26.207 0.300 . 1 . . . . 18 LYS CG . 10229 1 139 . 1 1 18 18 LYS N N 15 123.594 0.300 . 1 . . . . 18 LYS N . 10229 1 140 . 1 1 19 19 ALA H H 1 7.690 0.030 . 1 . . . . 19 ALA H . 10229 1 141 . 1 1 19 19 ALA HA H 1 5.156 0.030 . 1 . . . . 19 ALA HA . 10229 1 142 . 1 1 19 19 ALA HB1 H 1 1.211 0.030 . 1 . . . . 19 ALA HB . 10229 1 143 . 1 1 19 19 ALA HB2 H 1 1.211 0.030 . 1 . . . . 19 ALA HB . 10229 1 144 . 1 1 19 19 ALA HB3 H 1 1.211 0.030 . 1 . . . . 19 ALA HB . 10229 1 145 . 1 1 19 19 ALA C C 13 176.397 0.300 . 1 . . . . 19 ALA C . 10229 1 146 . 1 1 19 19 ALA CA C 13 50.116 0.300 . 1 . . . . 19 ALA CA . 10229 1 147 . 1 1 19 19 ALA CB C 13 22.761 0.300 . 1 . . . . 19 ALA CB . 10229 1 148 . 1 1 19 19 ALA N N 15 124.433 0.300 . 1 . . . . 19 ALA N . 10229 1 149 . 1 1 20 20 PHE H H 1 8.988 0.030 . 1 . . . . 20 PHE H . 10229 1 150 . 1 1 20 20 PHE HA H 1 4.671 0.030 . 1 . . . . 20 PHE HA . 10229 1 151 . 1 1 20 20 PHE HB2 H 1 2.733 0.030 . 2 . . . . 20 PHE HB2 . 10229 1 152 . 1 1 20 20 PHE HB3 H 1 3.502 0.030 . 2 . . . . 20 PHE HB3 . 10229 1 153 . 1 1 20 20 PHE HD1 H 1 7.203 0.030 . 1 . . . . 20 PHE HD1 . 10229 1 154 . 1 1 20 20 PHE HD2 H 1 7.203 0.030 . 1 . . . . 20 PHE HD2 . 10229 1 155 . 1 1 20 20 PHE HE1 H 1 6.841 0.030 . 1 . . . . 20 PHE HE1 . 10229 1 156 . 1 1 20 20 PHE HE2 H 1 6.841 0.030 . 1 . . . . 20 PHE HE2 . 10229 1 157 . 1 1 20 20 PHE HZ H 1 6.346 0.030 . 1 . . . . 20 PHE HZ . 10229 1 158 . 1 1 20 20 PHE C C 13 175.608 0.300 . 1 . . . . 20 PHE C . 10229 1 159 . 1 1 20 20 PHE CA C 13 57.288 0.300 . 1 . . . . 20 PHE CA . 10229 1 160 . 1 1 20 20 PHE CB C 13 43.643 0.300 . 1 . . . . 20 PHE CB . 10229 1 161 . 1 1 20 20 PHE CD1 C 13 132.490 0.300 . 1 . . . . 20 PHE CD1 . 10229 1 162 . 1 1 20 20 PHE CD2 C 13 132.490 0.300 . 1 . . . . 20 PHE CD2 . 10229 1 163 . 1 1 20 20 PHE CE1 C 13 130.578 0.300 . 1 . . . . 20 PHE CE1 . 10229 1 164 . 1 1 20 20 PHE CE2 C 13 130.578 0.300 . 1 . . . . 20 PHE CE2 . 10229 1 165 . 1 1 20 20 PHE CZ C 13 128.705 0.300 . 1 . . . . 20 PHE CZ . 10229 1 166 . 1 1 20 20 PHE N N 15 117.426 0.300 . 1 . . . . 20 PHE N . 10229 1 167 . 1 1 21 21 GLY H H 1 9.144 0.030 . 1 . . . . 21 GLY H . 10229 1 168 . 1 1 21 21 GLY HA2 H 1 4.066 0.030 . 2 . . . . 21 GLY HA2 . 10229 1 169 . 1 1 21 21 GLY HA3 H 1 4.380 0.030 . 2 . . . . 21 GLY HA3 . 10229 1 170 . 1 1 21 21 GLY C C 13 173.415 0.300 . 1 . . . . 21 GLY C . 10229 1 171 . 1 1 21 21 GLY CA C 13 46.269 0.300 . 1 . . . . 21 GLY CA . 10229 1 172 . 1 1 21 21 GLY N N 15 108.353 0.300 . 1 . . . . 21 GLY N . 10229 1 173 . 1 1 22 22 LEU H H 1 7.492 0.030 . 1 . . . . 22 LEU H . 10229 1 174 . 1 1 22 22 LEU HA H 1 4.888 0.030 . 1 . . . . 22 LEU HA . 10229 1 175 . 1 1 22 22 LEU HB2 H 1 1.641 0.030 . 2 . . . . 22 LEU HB2 . 10229 1 176 . 1 1 22 22 LEU HB3 H 1 1.490 0.030 . 2 . . . . 22 LEU HB3 . 10229 1 177 . 1 1 22 22 LEU HD11 H 1 0.903 0.030 . 1 . . . . 22 LEU HD1 . 10229 1 178 . 1 1 22 22 LEU HD12 H 1 0.903 0.030 . 1 . . . . 22 LEU HD1 . 10229 1 179 . 1 1 22 22 LEU HD13 H 1 0.903 0.030 . 1 . . . . 22 LEU HD1 . 10229 1 180 . 1 1 22 22 LEU HD21 H 1 1.006 0.030 . 1 . . . . 22 LEU HD2 . 10229 1 181 . 1 1 22 22 LEU HD22 H 1 1.006 0.030 . 1 . . . . 22 LEU HD2 . 10229 1 182 . 1 1 22 22 LEU HD23 H 1 1.006 0.030 . 1 . . . . 22 LEU HD2 . 10229 1 183 . 1 1 22 22 LEU HG H 1 1.638 0.030 . 1 . . . . 22 LEU HG . 10229 1 184 . 1 1 22 22 LEU C C 13 176.995 0.300 . 1 . . . . 22 LEU C . 10229 1 185 . 1 1 22 22 LEU CA C 13 53.043 0.300 . 1 . . . . 22 LEU CA . 10229 1 186 . 1 1 22 22 LEU CB C 13 45.693 0.300 . 1 . . . . 22 LEU CB . 10229 1 187 . 1 1 22 22 LEU CD1 C 13 25.386 0.300 . 2 . . . . 22 LEU CD1 . 10229 1 188 . 1 1 22 22 LEU CD2 C 13 23.397 0.300 . 2 . . . . 22 LEU CD2 . 10229 1 189 . 1 1 22 22 LEU CG C 13 26.903 0.300 . 1 . . . . 22 LEU CG . 10229 1 190 . 1 1 22 22 LEU N N 15 117.179 0.300 . 1 . . . . 22 LEU N . 10229 1 191 . 1 1 23 23 LYS H H 1 8.346 0.030 . 1 . . . . 23 LYS H . 10229 1 192 . 1 1 23 23 LYS HA H 1 3.000 0.030 . 1 . . . . 23 LYS HA . 10229 1 193 . 1 1 23 23 LYS HB2 H 1 1.461 0.030 . 2 . . . . 23 LYS HB2 . 10229 1 194 . 1 1 23 23 LYS HB3 H 1 0.915 0.030 . 2 . . . . 23 LYS HB3 . 10229 1 195 . 1 1 23 23 LYS HD2 H 1 1.596 0.030 . 2 . . . . 23 LYS HD2 . 10229 1 196 . 1 1 23 23 LYS HD3 H 1 1.526 0.030 . 2 . . . . 23 LYS HD3 . 10229 1 197 . 1 1 23 23 LYS HE2 H 1 2.914 0.030 . 2 . . . . 23 LYS HE2 . 10229 1 198 . 1 1 23 23 LYS HE3 H 1 2.878 0.030 . 2 . . . . 23 LYS HE3 . 10229 1 199 . 1 1 23 23 LYS HG2 H 1 1.034 0.030 . 2 . . . . 23 LYS HG2 . 10229 1 200 . 1 1 23 23 LYS HG3 H 1 1.239 0.030 . 2 . . . . 23 LYS HG3 . 10229 1 201 . 1 1 23 23 LYS C C 13 178.113 0.300 . 1 . . . . 23 LYS C . 10229 1 202 . 1 1 23 23 LYS CA C 13 59.056 0.300 . 1 . . . . 23 LYS CA . 10229 1 203 . 1 1 23 23 LYS CB C 13 31.452 0.300 . 1 . . . . 23 LYS CB . 10229 1 204 . 1 1 23 23 LYS CD C 13 29.076 0.300 . 1 . . . . 23 LYS CD . 10229 1 205 . 1 1 23 23 LYS CE C 13 42.144 0.300 . 1 . . . . 23 LYS CE . 10229 1 206 . 1 1 23 23 LYS CG C 13 24.813 0.300 . 1 . . . . 23 LYS CG . 10229 1 207 . 1 1 23 23 LYS N N 15 127.252 0.300 . 1 . . . . 23 LYS N . 10229 1 208 . 1 1 24 24 SER H H 1 8.360 0.030 . 1 . . . . 24 SER H . 10229 1 209 . 1 1 24 24 SER HA H 1 3.865 0.030 . 1 . . . . 24 SER HA . 10229 1 210 . 1 1 24 24 SER HB2 H 1 3.818 0.030 . 1 . . . . 24 SER HB2 . 10229 1 211 . 1 1 24 24 SER HB3 H 1 3.818 0.030 . 1 . . . . 24 SER HB3 . 10229 1 212 . 1 1 24 24 SER C C 13 176.854 0.300 . 1 . . . . 24 SER C . 10229 1 213 . 1 1 24 24 SER CA C 13 60.651 0.300 . 1 . . . . 24 SER CA . 10229 1 214 . 1 1 24 24 SER CB C 13 61.315 0.300 . 1 . . . . 24 SER CB . 10229 1 215 . 1 1 24 24 SER N N 15 111.653 0.300 . 1 . . . . 24 SER N . 10229 1 216 . 1 1 25 25 GLN H H 1 6.647 0.030 . 1 . . . . 25 GLN H . 10229 1 217 . 1 1 25 25 GLN HA H 1 3.895 0.030 . 1 . . . . 25 GLN HA . 10229 1 218 . 1 1 25 25 GLN HB2 H 1 2.474 0.030 . 2 . . . . 25 GLN HB2 . 10229 1 219 . 1 1 25 25 GLN HB3 H 1 1.975 0.030 . 2 . . . . 25 GLN HB3 . 10229 1 220 . 1 1 25 25 GLN HE21 H 1 7.655 0.030 . 2 . . . . 25 GLN HE21 . 10229 1 221 . 1 1 25 25 GLN HE22 H 1 7.006 0.030 . 2 . . . . 25 GLN HE22 . 10229 1 222 . 1 1 25 25 GLN HG2 H 1 2.471 0.030 . 2 . . . . 25 GLN HG2 . 10229 1 223 . 1 1 25 25 GLN HG3 H 1 2.388 0.030 . 2 . . . . 25 GLN HG3 . 10229 1 224 . 1 1 25 25 GLN C C 13 178.428 0.300 . 1 . . . . 25 GLN C . 10229 1 225 . 1 1 25 25 GLN CA C 13 57.613 0.300 . 1 . . . . 25 GLN CA . 10229 1 226 . 1 1 25 25 GLN CB C 13 28.573 0.300 . 1 . . . . 25 GLN CB . 10229 1 227 . 1 1 25 25 GLN CG C 13 34.405 0.300 . 1 . . . . 25 GLN CG . 10229 1 228 . 1 1 25 25 GLN N N 15 119.141 0.300 . 1 . . . . 25 GLN N . 10229 1 229 . 1 1 25 25 GLN NE2 N 15 111.750 0.300 . 1 . . . . 25 GLN NE2 . 10229 1 230 . 1 1 26 26 LEU H H 1 6.992 0.030 . 1 . . . . 26 LEU H . 10229 1 231 . 1 1 26 26 LEU HA H 1 3.324 0.030 . 1 . . . . 26 LEU HA . 10229 1 232 . 1 1 26 26 LEU HB2 H 1 2.023 0.030 . 2 . . . . 26 LEU HB2 . 10229 1 233 . 1 1 26 26 LEU HB3 H 1 1.279 0.030 . 2 . . . . 26 LEU HB3 . 10229 1 234 . 1 1 26 26 LEU HD11 H 1 1.002 0.030 . 1 . . . . 26 LEU HD1 . 10229 1 235 . 1 1 26 26 LEU HD12 H 1 1.002 0.030 . 1 . . . . 26 LEU HD1 . 10229 1 236 . 1 1 26 26 LEU HD13 H 1 1.002 0.030 . 1 . . . . 26 LEU HD1 . 10229 1 237 . 1 1 26 26 LEU HD21 H 1 1.072 0.030 . 1 . . . . 26 LEU HD2 . 10229 1 238 . 1 1 26 26 LEU HD22 H 1 1.072 0.030 . 1 . . . . 26 LEU HD2 . 10229 1 239 . 1 1 26 26 LEU HD23 H 1 1.072 0.030 . 1 . . . . 26 LEU HD2 . 10229 1 240 . 1 1 26 26 LEU HG H 1 1.618 0.030 . 1 . . . . 26 LEU HG . 10229 1 241 . 1 1 26 26 LEU C C 13 177.103 0.300 . 1 . . . . 26 LEU C . 10229 1 242 . 1 1 26 26 LEU CA C 13 57.854 0.300 . 1 . . . . 26 LEU CA . 10229 1 243 . 1 1 26 26 LEU CB C 13 40.350 0.300 . 1 . . . . 26 LEU CB . 10229 1 244 . 1 1 26 26 LEU CD1 C 13 26.772 0.300 . 2 . . . . 26 LEU CD1 . 10229 1 245 . 1 1 26 26 LEU CD2 C 13 22.718 0.300 . 2 . . . . 26 LEU CD2 . 10229 1 246 . 1 1 26 26 LEU CG C 13 27.369 0.300 . 1 . . . . 26 LEU CG . 10229 1 247 . 1 1 26 26 LEU N N 15 122.365 0.300 . 1 . . . . 26 LEU N . 10229 1 248 . 1 1 27 27 ILE H H 1 7.971 0.030 . 1 . . . . 27 ILE H . 10229 1 249 . 1 1 27 27 ILE HA H 1 3.725 0.030 . 1 . . . . 27 ILE HA . 10229 1 250 . 1 1 27 27 ILE HB H 1 1.726 0.030 . 1 . . . . 27 ILE HB . 10229 1 251 . 1 1 27 27 ILE HD11 H 1 0.745 0.030 . 1 . . . . 27 ILE HD1 . 10229 1 252 . 1 1 27 27 ILE HD12 H 1 0.745 0.030 . 1 . . . . 27 ILE HD1 . 10229 1 253 . 1 1 27 27 ILE HD13 H 1 0.745 0.030 . 1 . . . . 27 ILE HD1 . 10229 1 254 . 1 1 27 27 ILE HG12 H 1 1.515 0.030 . 2 . . . . 27 ILE HG12 . 10229 1 255 . 1 1 27 27 ILE HG13 H 1 1.177 0.030 . 2 . . . . 27 ILE HG13 . 10229 1 256 . 1 1 27 27 ILE HG21 H 1 0.845 0.030 . 1 . . . . 27 ILE HG2 . 10229 1 257 . 1 1 27 27 ILE HG22 H 1 0.845 0.030 . 1 . . . . 27 ILE HG2 . 10229 1 258 . 1 1 27 27 ILE HG23 H 1 0.845 0.030 . 1 . . . . 27 ILE HG2 . 10229 1 259 . 1 1 27 27 ILE C C 13 178.803 0.300 . 1 . . . . 27 ILE C . 10229 1 260 . 1 1 27 27 ILE CA C 13 64.616 0.300 . 1 . . . . 27 ILE CA . 10229 1 261 . 1 1 27 27 ILE CB C 13 37.833 0.300 . 1 . . . . 27 ILE CB . 10229 1 262 . 1 1 27 27 ILE CD1 C 13 13.004 0.300 . 1 . . . . 27 ILE CD1 . 10229 1 263 . 1 1 27 27 ILE CG1 C 13 28.847 0.300 . 1 . . . . 27 ILE CG1 . 10229 1 264 . 1 1 27 27 ILE CG2 C 13 17.078 0.300 . 1 . . . . 27 ILE CG2 . 10229 1 265 . 1 1 27 27 ILE N N 15 118.447 0.300 . 1 . . . . 27 ILE N . 10229 1 266 . 1 1 28 28 ILE H H 1 7.047 0.030 . 1 . . . . 28 ILE H . 10229 1 267 . 1 1 28 28 ILE HA H 1 3.572 0.030 . 1 . . . . 28 ILE HA . 10229 1 268 . 1 1 28 28 ILE HB H 1 1.653 0.030 . 1 . . . . 28 ILE HB . 10229 1 269 . 1 1 28 28 ILE HD11 H 1 0.795 0.030 . 1 . . . . 28 ILE HD1 . 10229 1 270 . 1 1 28 28 ILE HD12 H 1 0.795 0.030 . 1 . . . . 28 ILE HD1 . 10229 1 271 . 1 1 28 28 ILE HD13 H 1 0.795 0.030 . 1 . . . . 28 ILE HD1 . 10229 1 272 . 1 1 28 28 ILE HG12 H 1 1.618 0.030 . 2 . . . . 28 ILE HG12 . 10229 1 273 . 1 1 28 28 ILE HG13 H 1 1.125 0.030 . 2 . . . . 28 ILE HG13 . 10229 1 274 . 1 1 28 28 ILE HG21 H 1 0.870 0.030 . 1 . . . . 28 ILE HG2 . 10229 1 275 . 1 1 28 28 ILE HG22 H 1 0.870 0.030 . 1 . . . . 28 ILE HG2 . 10229 1 276 . 1 1 28 28 ILE HG23 H 1 0.870 0.030 . 1 . . . . 28 ILE HG2 . 10229 1 277 . 1 1 28 28 ILE C C 13 178.591 0.300 . 1 . . . . 28 ILE C . 10229 1 278 . 1 1 28 28 ILE CA C 13 64.607 0.300 . 1 . . . . 28 ILE CA . 10229 1 279 . 1 1 28 28 ILE CB C 13 38.385 0.300 . 1 . . . . 28 ILE CB . 10229 1 280 . 1 1 28 28 ILE CD1 C 13 12.769 0.300 . 1 . . . . 28 ILE CD1 . 10229 1 281 . 1 1 28 28 ILE CG1 C 13 29.292 0.300 . 1 . . . . 28 ILE CG1 . 10229 1 282 . 1 1 28 28 ILE CG2 C 13 17.161 0.300 . 1 . . . . 28 ILE CG2 . 10229 1 283 . 1 1 28 28 ILE N N 15 118.309 0.300 . 1 . . . . 28 ILE N . 10229 1 284 . 1 1 29 29 HIS H H 1 7.575 0.030 . 1 . . . . 29 HIS H . 10229 1 285 . 1 1 29 29 HIS HA H 1 4.116 0.030 . 1 . . . . 29 HIS HA . 10229 1 286 . 1 1 29 29 HIS HB2 H 1 2.824 0.030 . 2 . . . . 29 HIS HB2 . 10229 1 287 . 1 1 29 29 HIS HB3 H 1 3.162 0.030 . 2 . . . . 29 HIS HB3 . 10229 1 288 . 1 1 29 29 HIS HD2 H 1 7.009 0.030 . 1 . . . . 29 HIS HD2 . 10229 1 289 . 1 1 29 29 HIS HE1 H 1 8.020 0.030 . 1 . . . . 29 HIS HE1 . 10229 1 290 . 1 1 29 29 HIS C C 13 176.399 0.300 . 1 . . . . 29 HIS C . 10229 1 291 . 1 1 29 29 HIS CA C 13 59.638 0.300 . 1 . . . . 29 HIS CA . 10229 1 292 . 1 1 29 29 HIS CB C 13 28.686 0.300 . 1 . . . . 29 HIS CB . 10229 1 293 . 1 1 29 29 HIS CD2 C 13 127.345 0.300 . 1 . . . . 29 HIS CD2 . 10229 1 294 . 1 1 29 29 HIS CE1 C 13 139.424 0.300 . 1 . . . . 29 HIS CE1 . 10229 1 295 . 1 1 29 29 HIS N N 15 120.367 0.300 . 1 . . . . 29 HIS N . 10229 1 296 . 1 1 30 30 GLU H H 1 8.691 0.030 . 1 . . . . 30 GLU H . 10229 1 297 . 1 1 30 30 GLU HA H 1 3.695 0.030 . 1 . . . . 30 GLU HA . 10229 1 298 . 1 1 30 30 GLU HB2 H 1 2.241 0.030 . 2 . . . . 30 GLU HB2 . 10229 1 299 . 1 1 30 30 GLU HB3 H 1 2.164 0.030 . 2 . . . . 30 GLU HB3 . 10229 1 300 . 1 1 30 30 GLU HG2 H 1 2.642 0.030 . 2 . . . . 30 GLU HG2 . 10229 1 301 . 1 1 30 30 GLU HG3 H 1 2.791 0.030 . 2 . . . . 30 GLU HG3 . 10229 1 302 . 1 1 30 30 GLU C C 13 178.190 0.300 . 1 . . . . 30 GLU C . 10229 1 303 . 1 1 30 30 GLU CA C 13 60.106 0.300 . 1 . . . . 30 GLU CA . 10229 1 304 . 1 1 30 30 GLU CB C 13 29.866 0.300 . 1 . . . . 30 GLU CB . 10229 1 305 . 1 1 30 30 GLU CG C 13 37.912 0.300 . 1 . . . . 30 GLU CG . 10229 1 306 . 1 1 30 30 GLU N N 15 116.137 0.300 . 1 . . . . 30 GLU N . 10229 1 307 . 1 1 31 31 ARG H H 1 7.138 0.030 . 1 . . . . 31 ARG H . 10229 1 308 . 1 1 31 31 ARG HA H 1 4.178 0.030 . 1 . . . . 31 ARG HA . 10229 1 309 . 1 1 31 31 ARG HB2 H 1 1.902 0.030 . 2 . . . . 31 ARG HB2 . 10229 1 310 . 1 1 31 31 ARG HB3 H 1 1.777 0.030 . 2 . . . . 31 ARG HB3 . 10229 1 311 . 1 1 31 31 ARG HD2 H 1 3.182 0.030 . 2 . . . . 31 ARG HD2 . 10229 1 312 . 1 1 31 31 ARG HD3 H 1 3.148 0.030 . 2 . . . . 31 ARG HD3 . 10229 1 313 . 1 1 31 31 ARG HG2 H 1 1.914 0.030 . 2 . . . . 31 ARG HG2 . 10229 1 314 . 1 1 31 31 ARG HG3 H 1 1.643 0.030 . 2 . . . . 31 ARG HG3 . 10229 1 315 . 1 1 31 31 ARG C C 13 178.912 0.300 . 1 . . . . 31 ARG C . 10229 1 316 . 1 1 31 31 ARG CA C 13 58.400 0.300 . 1 . . . . 31 ARG CA . 10229 1 317 . 1 1 31 31 ARG CB C 13 30.069 0.300 . 1 . . . . 31 ARG CB . 10229 1 318 . 1 1 31 31 ARG CD C 13 43.798 0.300 . 1 . . . . 31 ARG CD . 10229 1 319 . 1 1 31 31 ARG CG C 13 27.638 0.300 . 1 . . . . 31 ARG CG . 10229 1 320 . 1 1 31 31 ARG N N 15 116.943 0.300 . 1 . . . . 31 ARG N . 10229 1 321 . 1 1 32 32 ILE H H 1 7.978 0.030 . 1 . . . . 32 ILE H . 10229 1 322 . 1 1 32 32 ILE HA H 1 3.935 0.030 . 1 . . . . 32 ILE HA . 10229 1 323 . 1 1 32 32 ILE HB H 1 1.629 0.030 . 1 . . . . 32 ILE HB . 10229 1 324 . 1 1 32 32 ILE HD11 H 1 0.702 0.030 . 1 . . . . 32 ILE HD1 . 10229 1 325 . 1 1 32 32 ILE HD12 H 1 0.702 0.030 . 1 . . . . 32 ILE HD1 . 10229 1 326 . 1 1 32 32 ILE HD13 H 1 0.702 0.030 . 1 . . . . 32 ILE HD1 . 10229 1 327 . 1 1 32 32 ILE HG12 H 1 0.776 0.030 . 2 . . . . 32 ILE HG12 . 10229 1 328 . 1 1 32 32 ILE HG13 H 1 0.906 0.030 . 2 . . . . 32 ILE HG13 . 10229 1 329 . 1 1 32 32 ILE HG21 H 1 0.566 0.030 . 1 . . . . 32 ILE HG2 . 10229 1 330 . 1 1 32 32 ILE HG22 H 1 0.566 0.030 . 1 . . . . 32 ILE HG2 . 10229 1 331 . 1 1 32 32 ILE HG23 H 1 0.566 0.030 . 1 . . . . 32 ILE HG2 . 10229 1 332 . 1 1 32 32 ILE C C 13 177.623 0.300 . 1 . . . . 32 ILE C . 10229 1 333 . 1 1 32 32 ILE CA C 13 63.351 0.300 . 1 . . . . 32 ILE CA . 10229 1 334 . 1 1 32 32 ILE CB C 13 37.667 0.300 . 1 . . . . 32 ILE CB . 10229 1 335 . 1 1 32 32 ILE CD1 C 13 14.411 0.300 . 1 . . . . 32 ILE CD1 . 10229 1 336 . 1 1 32 32 ILE CG1 C 13 26.749 0.300 . 1 . . . . 32 ILE CG1 . 10229 1 337 . 1 1 32 32 ILE CG2 C 13 16.321 0.300 . 1 . . . . 32 ILE CG2 . 10229 1 338 . 1 1 32 32 ILE N N 15 117.036 0.300 . 1 . . . . 32 ILE N . 10229 1 339 . 1 1 33 33 HIS H H 1 7.209 0.030 . 1 . . . . 33 HIS H . 10229 1 340 . 1 1 33 33 HIS HA H 1 4.820 0.030 . 1 . . . . 33 HIS HA . 10229 1 341 . 1 1 33 33 HIS HB2 H 1 3.353 0.030 . 2 . . . . 33 HIS HB2 . 10229 1 342 . 1 1 33 33 HIS HB3 H 1 3.290 0.030 . 2 . . . . 33 HIS HB3 . 10229 1 343 . 1 1 33 33 HIS HD2 H 1 6.808 0.030 . 1 . . . . 33 HIS HD2 . 10229 1 344 . 1 1 33 33 HIS HE1 H 1 8.071 0.030 . 1 . . . . 33 HIS HE1 . 10229 1 345 . 1 1 33 33 HIS C C 13 175.937 0.300 . 1 . . . . 33 HIS C . 10229 1 346 . 1 1 33 33 HIS CA C 13 55.352 0.300 . 1 . . . . 33 HIS CA . 10229 1 347 . 1 1 33 33 HIS CB C 13 28.527 0.300 . 1 . . . . 33 HIS CB . 10229 1 348 . 1 1 33 33 HIS CD2 C 13 127.948 0.300 . 1 . . . . 33 HIS CD2 . 10229 1 349 . 1 1 33 33 HIS CE1 C 13 140.111 0.300 . 1 . . . . 33 HIS CE1 . 10229 1 350 . 1 1 33 33 HIS N N 15 117.235 0.300 . 1 . . . . 33 HIS N . 10229 1 351 . 1 1 34 34 THR H H 1 7.749 0.030 . 1 . . . . 34 THR H . 10229 1 352 . 1 1 34 34 THR HA H 1 4.369 0.030 . 1 . . . . 34 THR HA . 10229 1 353 . 1 1 34 34 THR HB H 1 4.343 0.030 . 1 . . . . 34 THR HB . 10229 1 354 . 1 1 34 34 THR HG21 H 1 1.253 0.030 . 1 . . . . 34 THR HG2 . 10229 1 355 . 1 1 34 34 THR HG22 H 1 1.253 0.030 . 1 . . . . 34 THR HG2 . 10229 1 356 . 1 1 34 34 THR HG23 H 1 1.253 0.030 . 1 . . . . 34 THR HG2 . 10229 1 357 . 1 1 34 34 THR C C 13 175.653 0.300 . 1 . . . . 34 THR C . 10229 1 358 . 1 1 34 34 THR CA C 13 62.438 0.300 . 1 . . . . 34 THR CA . 10229 1 359 . 1 1 34 34 THR CB C 13 69.975 0.300 . 1 . . . . 34 THR CB . 10229 1 360 . 1 1 34 34 THR CG2 C 13 21.624 0.300 . 1 . . . . 34 THR CG2 . 10229 1 361 . 1 1 34 34 THR N N 15 110.763 0.300 . 1 . . . . 34 THR N . 10229 1 362 . 1 1 35 35 GLY H H 1 8.174 0.030 . 1 . . . . 35 GLY H . 10229 1 363 . 1 1 35 35 GLY HA2 H 1 4.059 0.030 . 2 . . . . 35 GLY HA2 . 10229 1 364 . 1 1 35 35 GLY HA3 H 1 3.950 0.030 . 2 . . . . 35 GLY HA3 . 10229 1 365 . 1 1 35 35 GLY C C 13 174.334 0.300 . 1 . . . . 35 GLY C . 10229 1 366 . 1 1 35 35 GLY CA C 13 45.450 0.300 . 1 . . . . 35 GLY CA . 10229 1 367 . 1 1 35 35 GLY N N 15 110.516 0.300 . 1 . . . . 35 GLY N . 10229 1 368 . 1 1 36 36 GLU H H 1 8.130 0.030 . 1 . . . . 36 GLU H . 10229 1 369 . 1 1 36 36 GLU HA H 1 4.311 0.030 . 1 . . . . 36 GLU HA . 10229 1 370 . 1 1 36 36 GLU HB2 H 1 2.059 0.030 . 2 . . . . 36 GLU HB2 . 10229 1 371 . 1 1 36 36 GLU HB3 H 1 1.914 0.030 . 2 . . . . 36 GLU HB3 . 10229 1 372 . 1 1 36 36 GLU HG2 H 1 2.270 0.030 . 2 . . . . 36 GLU HG2 . 10229 1 373 . 1 1 36 36 GLU HG3 H 1 2.236 0.030 . 2 . . . . 36 GLU HG3 . 10229 1 374 . 1 1 36 36 GLU C C 13 176.510 0.300 . 1 . . . . 36 GLU C . 10229 1 375 . 1 1 36 36 GLU CA C 13 56.629 0.300 . 1 . . . . 36 GLU CA . 10229 1 376 . 1 1 36 36 GLU CB C 13 30.535 0.300 . 1 . . . . 36 GLU CB . 10229 1 377 . 1 1 36 36 GLU CG C 13 36.283 0.300 . 1 . . . . 36 GLU CG . 10229 1 378 . 1 1 36 36 GLU N N 15 120.680 0.300 . 1 . . . . 36 GLU N . 10229 1 379 . 1 1 37 37 SER H H 1 8.391 0.030 . 1 . . . . 37 SER H . 10229 1 380 . 1 1 37 37 SER HA H 1 4.481 0.030 . 1 . . . . 37 SER HA . 10229 1 381 . 1 1 37 37 SER HB2 H 1 3.859 0.030 . 1 . . . . 37 SER HB2 . 10229 1 382 . 1 1 37 37 SER HB3 H 1 3.859 0.030 . 1 . . . . 37 SER HB3 . 10229 1 383 . 1 1 37 37 SER C C 13 174.576 0.300 . 1 . . . . 37 SER C . 10229 1 384 . 1 1 37 37 SER CA C 13 58.300 0.300 . 1 . . . . 37 SER CA . 10229 1 385 . 1 1 37 37 SER CB C 13 63.990 0.300 . 1 . . . . 37 SER CB . 10229 1 386 . 1 1 37 37 SER N N 15 116.733 0.300 . 1 . . . . 37 SER N . 10229 1 387 . 1 1 38 38 GLY H H 1 8.240 0.030 . 1 . . . . 38 GLY H . 10229 1 388 . 1 1 38 38 GLY HA2 H 1 4.158 0.030 . 2 . . . . 38 GLY HA2 . 10229 1 389 . 1 1 38 38 GLY HA3 H 1 4.064 0.030 . 2 . . . . 38 GLY HA3 . 10229 1 390 . 1 1 38 38 GLY C C 13 171.698 0.300 . 1 . . . . 38 GLY C . 10229 1 391 . 1 1 38 38 GLY CA C 13 44.560 0.300 . 1 . . . . 38 GLY CA . 10229 1 392 . 1 1 38 38 GLY N N 15 110.538 0.300 . 1 . . . . 38 GLY N . 10229 1 393 . 1 1 39 39 PRO HA H 1 4.474 0.030 . 1 . . . . 39 PRO HA . 10229 1 394 . 1 1 39 39 PRO HB2 H 1 1.970 0.030 . 2 . . . . 39 PRO HB2 . 10229 1 395 . 1 1 39 39 PRO HB3 H 1 2.290 0.030 . 2 . . . . 39 PRO HB3 . 10229 1 396 . 1 1 39 39 PRO HD2 H 1 3.613 0.030 . 1 . . . . 39 PRO HD2 . 10229 1 397 . 1 1 39 39 PRO HD3 H 1 3.613 0.030 . 1 . . . . 39 PRO HD3 . 10229 1 398 . 1 1 39 39 PRO HG2 H 1 2.012 0.030 . 1 . . . . 39 PRO HG2 . 10229 1 399 . 1 1 39 39 PRO HG3 H 1 2.012 0.030 . 1 . . . . 39 PRO HG3 . 10229 1 400 . 1 1 39 39 PRO C C 13 177.358 0.300 . 1 . . . . 39 PRO C . 10229 1 401 . 1 1 39 39 PRO CA C 13 63.172 0.300 . 1 . . . . 39 PRO CA . 10229 1 402 . 1 1 39 39 PRO CB C 13 32.197 0.300 . 1 . . . . 39 PRO CB . 10229 1 403 . 1 1 39 39 PRO CD C 13 49.794 0.300 . 1 . . . . 39 PRO CD . 10229 1 404 . 1 1 39 39 PRO CG C 13 27.144 0.300 . 1 . . . . 39 PRO CG . 10229 1 405 . 1 1 40 40 SER H H 1 8.542 0.030 . 1 . . . . 40 SER H . 10229 1 406 . 1 1 40 40 SER C C 13 174.651 0.300 . 1 . . . . 40 SER C . 10229 1 407 . 1 1 40 40 SER CA C 13 58.452 0.300 . 1 . . . . 40 SER CA . 10229 1 408 . 1 1 40 40 SER CB C 13 63.972 0.300 . 1 . . . . 40 SER CB . 10229 1 409 . 1 1 40 40 SER N N 15 116.524 0.300 . 1 . . . . 40 SER N . 10229 1 stop_ save_