################################### # 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 10304 _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 10304 1 2 '3D 15N-separated NOESY' 1 $sample_1 isotropic 10304 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 8 8 THR HA H 1 4.370 0.030 . 1 . . . . 8 THR HA . 10304 1 2 . 1 1 8 8 THR HB H 1 4.299 0.030 . 1 . . . . 8 THR HB . 10304 1 3 . 1 1 8 8 THR HG21 H 1 1.200 0.030 . 1 . . . . 8 THR HG2 . 10304 1 4 . 1 1 8 8 THR HG22 H 1 1.200 0.030 . 1 . . . . 8 THR HG2 . 10304 1 5 . 1 1 8 8 THR HG23 H 1 1.200 0.030 . 1 . . . . 8 THR HG2 . 10304 1 6 . 1 1 8 8 THR CA C 13 61.945 0.300 . 1 . . . . 8 THR CA . 10304 1 7 . 1 1 8 8 THR CB C 13 69.833 0.300 . 1 . . . . 8 THR CB . 10304 1 8 . 1 1 8 8 THR CG2 C 13 21.526 0.300 . 1 . . . . 8 THR CG2 . 10304 1 9 . 1 1 9 9 GLY H H 1 8.444 0.030 . 1 . . . . 9 GLY H . 10304 1 10 . 1 1 9 9 GLY HA2 H 1 3.969 0.030 . 1 . . . . 9 GLY HA2 . 10304 1 11 . 1 1 9 9 GLY HA3 H 1 3.969 0.030 . 1 . . . . 9 GLY HA3 . 10304 1 12 . 1 1 9 9 GLY C C 13 173.951 0.300 . 1 . . . . 9 GLY C . 10304 1 13 . 1 1 9 9 GLY CA C 13 45.271 0.300 . 1 . . . . 9 GLY CA . 10304 1 14 . 1 1 9 9 GLY N N 15 110.998 0.300 . 1 . . . . 9 GLY N . 10304 1 15 . 1 1 10 10 GLU H H 1 8.202 0.030 . 1 . . . . 10 GLU H . 10304 1 16 . 1 1 10 10 GLU HA H 1 4.213 0.030 . 1 . . . . 10 GLU HA . 10304 1 17 . 1 1 10 10 GLU HB2 H 1 1.908 0.030 . 2 . . . . 10 GLU HB2 . 10304 1 18 . 1 1 10 10 GLU HB3 H 1 1.993 0.030 . 2 . . . . 10 GLU HB3 . 10304 1 19 . 1 1 10 10 GLU HG2 H 1 2.217 0.030 . 1 . . . . 10 GLU HG2 . 10304 1 20 . 1 1 10 10 GLU HG3 H 1 2.217 0.030 . 1 . . . . 10 GLU HG3 . 10304 1 21 . 1 1 10 10 GLU C C 13 176.209 0.300 . 1 . . . . 10 GLU C . 10304 1 22 . 1 1 10 10 GLU CA C 13 56.761 0.300 . 1 . . . . 10 GLU CA . 10304 1 23 . 1 1 10 10 GLU CB C 13 30.488 0.300 . 1 . . . . 10 GLU CB . 10304 1 24 . 1 1 10 10 GLU CG C 13 36.312 0.300 . 1 . . . . 10 GLU CG . 10304 1 25 . 1 1 10 10 GLU N N 15 120.432 0.300 . 1 . . . . 10 GLU N . 10304 1 26 . 1 1 11 11 ARG H H 1 8.310 0.030 . 1 . . . . 11 ARG H . 10304 1 27 . 1 1 11 11 ARG HA H 1 4.568 0.030 . 1 . . . . 11 ARG HA . 10304 1 28 . 1 1 11 11 ARG HB2 H 1 1.616 0.030 . 2 . . . . 11 ARG HB2 . 10304 1 29 . 1 1 11 11 ARG HB3 H 1 1.521 0.030 . 2 . . . . 11 ARG HB3 . 10304 1 30 . 1 1 11 11 ARG HD2 H 1 3.068 0.030 . 1 . . . . 11 ARG HD2 . 10304 1 31 . 1 1 11 11 ARG HD3 H 1 3.068 0.030 . 1 . . . . 11 ARG HD3 . 10304 1 32 . 1 1 11 11 ARG HG2 H 1 1.553 0.030 . 2 . . . . 11 ARG HG2 . 10304 1 33 . 1 1 11 11 ARG HG3 H 1 1.440 0.030 . 2 . . . . 11 ARG HG3 . 10304 1 34 . 1 1 11 11 ARG C C 13 174.073 0.300 . 1 . . . . 11 ARG C . 10304 1 35 . 1 1 11 11 ARG CA C 13 53.643 0.300 . 1 . . . . 11 ARG CA . 10304 1 36 . 1 1 11 11 ARG CB C 13 30.366 0.300 . 1 . . . . 11 ARG CB . 10304 1 37 . 1 1 11 11 ARG CD C 13 43.542 0.300 . 1 . . . . 11 ARG CD . 10304 1 38 . 1 1 11 11 ARG CG C 13 27.224 0.300 . 1 . . . . 11 ARG CG . 10304 1 39 . 1 1 11 11 ARG N N 15 121.718 0.300 . 1 . . . . 11 ARG N . 10304 1 40 . 1 1 12 12 PRO HA H 1 4.321 0.030 . 1 . . . . 12 PRO HA . 10304 1 41 . 1 1 12 12 PRO HB2 H 1 2.093 0.030 . 2 . . . . 12 PRO HB2 . 10304 1 42 . 1 1 12 12 PRO HB3 H 1 1.470 0.030 . 2 . . . . 12 PRO HB3 . 10304 1 43 . 1 1 12 12 PRO HD2 H 1 3.683 0.030 . 2 . . . . 12 PRO HD2 . 10304 1 44 . 1 1 12 12 PRO HG2 H 1 1.692 0.030 . 2 . . . . 12 PRO HG2 . 10304 1 45 . 1 1 12 12 PRO HG3 H 1 1.905 0.030 . 2 . . . . 12 PRO HG3 . 10304 1 46 . 1 1 12 12 PRO C C 13 176.234 0.300 . 1 . . . . 12 PRO C . 10304 1 47 . 1 1 12 12 PRO CA C 13 63.697 0.300 . 1 . . . . 12 PRO CA . 10304 1 48 . 1 1 12 12 PRO CB C 13 32.438 0.300 . 1 . . . . 12 PRO CB . 10304 1 49 . 1 1 12 12 PRO CD C 13 50.401 0.300 . 1 . . . . 12 PRO CD . 10304 1 50 . 1 1 12 12 PRO CG C 13 26.755 0.300 . 1 . . . . 12 PRO CG . 10304 1 51 . 1 1 13 13 HIS H H 1 7.884 0.030 . 1 . . . . 13 HIS H . 10304 1 52 . 1 1 13 13 HIS HA H 1 4.669 0.030 . 1 . . . . 13 HIS HA . 10304 1 53 . 1 1 13 13 HIS HB2 H 1 2.910 0.030 . 2 . . . . 13 HIS HB2 . 10304 1 54 . 1 1 13 13 HIS HB3 H 1 3.046 0.030 . 2 . . . . 13 HIS HB3 . 10304 1 55 . 1 1 13 13 HIS HD2 H 1 6.809 0.030 . 1 . . . . 13 HIS HD2 . 10304 1 56 . 1 1 13 13 HIS C C 13 174.157 0.300 . 1 . . . . 13 HIS C . 10304 1 57 . 1 1 13 13 HIS CA C 13 55.372 0.300 . 1 . . . . 13 HIS CA . 10304 1 58 . 1 1 13 13 HIS CB C 13 30.745 0.300 . 1 . . . . 13 HIS CB . 10304 1 59 . 1 1 13 13 HIS CD2 C 13 120.044 0.300 . 1 . . . . 13 HIS CD2 . 10304 1 60 . 1 1 13 13 HIS N N 15 119.161 0.300 . 1 . . . . 13 HIS N . 10304 1 61 . 1 1 14 14 LYS H H 1 8.637 0.030 . 1 . . . . 14 LYS H . 10304 1 62 . 1 1 14 14 LYS HA H 1 4.826 0.030 . 1 . . . . 14 LYS HA . 10304 1 63 . 1 1 14 14 LYS HB2 H 1 1.598 0.030 . 2 . . . . 14 LYS HB2 . 10304 1 64 . 1 1 14 14 LYS HB3 H 1 1.696 0.030 . 2 . . . . 14 LYS HB3 . 10304 1 65 . 1 1 14 14 LYS HD2 H 1 1.595 0.030 . 1 . . . . 14 LYS HD2 . 10304 1 66 . 1 1 14 14 LYS HD3 H 1 1.595 0.030 . 1 . . . . 14 LYS HD3 . 10304 1 67 . 1 1 14 14 LYS HE2 H 1 2.946 0.030 . 1 . . . . 14 LYS HE2 . 10304 1 68 . 1 1 14 14 LYS HE3 H 1 2.946 0.030 . 1 . . . . 14 LYS HE3 . 10304 1 69 . 1 1 14 14 LYS HG2 H 1 1.145 0.030 . 2 . . . . 14 LYS HG2 . 10304 1 70 . 1 1 14 14 LYS HG3 H 1 1.179 0.030 . 2 . . . . 14 LYS HG3 . 10304 1 71 . 1 1 14 14 LYS C C 13 174.911 0.300 . 1 . . . . 14 LYS C . 10304 1 72 . 1 1 14 14 LYS CA C 13 55.385 0.300 . 1 . . . . 14 LYS CA . 10304 1 73 . 1 1 14 14 LYS CB C 13 35.414 0.300 . 1 . . . . 14 LYS CB . 10304 1 74 . 1 1 14 14 LYS CD C 13 29.436 0.300 . 1 . . . . 14 LYS CD . 10304 1 75 . 1 1 14 14 LYS CE C 13 42.108 0.300 . 1 . . . . 14 LYS CE . 10304 1 76 . 1 1 14 14 LYS CG C 13 24.743 0.300 . 1 . . . . 14 LYS CG . 10304 1 77 . 1 1 14 14 LYS N N 15 126.119 0.300 . 1 . . . . 14 LYS N . 10304 1 78 . 1 1 15 15 CYS H H 1 9.223 0.030 . 1 . . . . 15 CYS H . 10304 1 79 . 1 1 15 15 CYS HA H 1 4.557 0.030 . 1 . . . . 15 CYS HA . 10304 1 80 . 1 1 15 15 CYS HB2 H 1 3.439 0.030 . 2 . . . . 15 CYS HB2 . 10304 1 81 . 1 1 15 15 CYS HB3 H 1 2.860 0.030 . 2 . . . . 15 CYS HB3 . 10304 1 82 . 1 1 15 15 CYS C C 13 176.816 0.300 . 1 . . . . 15 CYS C . 10304 1 83 . 1 1 15 15 CYS CA C 13 59.372 0.300 . 1 . . . . 15 CYS CA . 10304 1 84 . 1 1 15 15 CYS CB C 13 29.537 0.300 . 1 . . . . 15 CYS CB . 10304 1 85 . 1 1 15 15 CYS N N 15 126.867 0.300 . 1 . . . . 15 CYS N . 10304 1 86 . 1 1 16 16 ASN H H 1 9.398 0.030 . 1 . . . . 16 ASN H . 10304 1 87 . 1 1 16 16 ASN HA H 1 4.548 0.030 . 1 . . . . 16 ASN HA . 10304 1 88 . 1 1 16 16 ASN HB2 H 1 2.891 0.030 . 1 . . . . 16 ASN HB2 . 10304 1 89 . 1 1 16 16 ASN HB3 H 1 2.891 0.030 . 1 . . . . 16 ASN HB3 . 10304 1 90 . 1 1 16 16 ASN HD21 H 1 7.680 0.030 . 2 . . . . 16 ASN HD21 . 10304 1 91 . 1 1 16 16 ASN HD22 H 1 6.976 0.030 . 2 . . . . 16 ASN HD22 . 10304 1 92 . 1 1 16 16 ASN C C 13 175.481 0.300 . 1 . . . . 16 ASN C . 10304 1 93 . 1 1 16 16 ASN CA C 13 55.537 0.300 . 1 . . . . 16 ASN CA . 10304 1 94 . 1 1 16 16 ASN CB C 13 38.423 0.300 . 1 . . . . 16 ASN CB . 10304 1 95 . 1 1 16 16 ASN N N 15 130.024 0.300 . 1 . . . . 16 ASN N . 10304 1 96 . 1 1 16 16 ASN ND2 N 15 113.382 0.300 . 1 . . . . 16 ASN ND2 . 10304 1 97 . 1 1 17 17 GLU H H 1 8.683 0.030 . 1 . . . . 17 GLU H . 10304 1 98 . 1 1 17 17 GLU HA H 1 4.226 0.030 . 1 . . . . 17 GLU HA . 10304 1 99 . 1 1 17 17 GLU HB2 H 1 1.368 0.030 . 1 . . . . 17 GLU HB2 . 10304 1 100 . 1 1 17 17 GLU HB3 H 1 1.368 0.030 . 1 . . . . 17 GLU HB3 . 10304 1 101 . 1 1 17 17 GLU HG2 H 1 1.788 0.030 . 2 . . . . 17 GLU HG2 . 10304 1 102 . 1 1 17 17 GLU HG3 H 1 1.903 0.030 . 2 . . . . 17 GLU HG3 . 10304 1 103 . 1 1 17 17 GLU C C 13 177.084 0.300 . 1 . . . . 17 GLU C . 10304 1 104 . 1 1 17 17 GLU CA C 13 58.463 0.300 . 1 . . . . 17 GLU CA . 10304 1 105 . 1 1 17 17 GLU CB C 13 29.533 0.300 . 1 . . . . 17 GLU CB . 10304 1 106 . 1 1 17 17 GLU CG C 13 35.711 0.300 . 1 . . . . 17 GLU CG . 10304 1 107 . 1 1 17 17 GLU N N 15 120.833 0.300 . 1 . . . . 17 GLU N . 10304 1 108 . 1 1 18 18 CYS H H 1 7.915 0.030 . 1 . . . . 18 CYS H . 10304 1 109 . 1 1 18 18 CYS HA H 1 5.186 0.030 . 1 . . . . 18 CYS HA . 10304 1 110 . 1 1 18 18 CYS HB2 H 1 3.451 0.030 . 2 . . . . 18 CYS HB2 . 10304 1 111 . 1 1 18 18 CYS HB3 H 1 2.894 0.030 . 2 . . . . 18 CYS HB3 . 10304 1 112 . 1 1 18 18 CYS C C 13 176.234 0.300 . 1 . . . . 18 CYS C . 10304 1 113 . 1 1 18 18 CYS CA C 13 58.335 0.300 . 1 . . . . 18 CYS CA . 10304 1 114 . 1 1 18 18 CYS CB C 13 32.422 0.300 . 1 . . . . 18 CYS CB . 10304 1 115 . 1 1 18 18 CYS N N 15 114.561 0.300 . 1 . . . . 18 CYS N . 10304 1 116 . 1 1 19 19 GLY H H 1 8.177 0.030 . 1 . . . . 19 GLY H . 10304 1 117 . 1 1 19 19 GLY HA2 H 1 4.273 0.030 . 2 . . . . 19 GLY HA2 . 10304 1 118 . 1 1 19 19 GLY HA3 H 1 3.790 0.030 . 2 . . . . 19 GLY HA3 . 10304 1 119 . 1 1 19 19 GLY C C 13 173.927 0.300 . 1 . . . . 19 GLY C . 10304 1 120 . 1 1 19 19 GLY CA C 13 46.290 0.300 . 1 . . . . 19 GLY CA . 10304 1 121 . 1 1 19 19 GLY N N 15 113.141 0.300 . 1 . . . . 19 GLY N . 10304 1 122 . 1 1 20 20 LYS H H 1 7.972 0.030 . 1 . . . . 20 LYS H . 10304 1 123 . 1 1 20 20 LYS HA H 1 4.060 0.030 . 1 . . . . 20 LYS HA . 10304 1 124 . 1 1 20 20 LYS HB2 H 1 1.273 0.030 . 2 . . . . 20 LYS HB2 . 10304 1 125 . 1 1 20 20 LYS HB3 H 1 1.385 0.030 . 2 . . . . 20 LYS HB3 . 10304 1 126 . 1 1 20 20 LYS HD2 H 1 1.532 0.030 . 2 . . . . 20 LYS HD2 . 10304 1 127 . 1 1 20 20 LYS HD3 H 1 1.202 0.030 . 2 . . . . 20 LYS HD3 . 10304 1 128 . 1 1 20 20 LYS HE2 H 1 3.021 0.030 . 2 . . . . 20 LYS HE2 . 10304 1 129 . 1 1 20 20 LYS HE3 H 1 2.969 0.030 . 2 . . . . 20 LYS HE3 . 10304 1 130 . 1 1 20 20 LYS HG2 H 1 1.201 0.030 . 2 . . . . 20 LYS HG2 . 10304 1 131 . 1 1 20 20 LYS HG3 H 1 1.529 0.030 . 2 . . . . 20 LYS HG3 . 10304 1 132 . 1 1 20 20 LYS C C 13 174.303 0.300 . 1 . . . . 20 LYS C . 10304 1 133 . 1 1 20 20 LYS CA C 13 58.054 0.300 . 1 . . . . 20 LYS CA . 10304 1 134 . 1 1 20 20 LYS CB C 13 33.822 0.300 . 1 . . . . 20 LYS CB . 10304 1 135 . 1 1 20 20 LYS CD C 13 29.224 0.300 . 1 . . . . 20 LYS CD . 10304 1 136 . 1 1 20 20 LYS CE C 13 42.243 0.300 . 1 . . . . 20 LYS CE . 10304 1 137 . 1 1 20 20 LYS CG C 13 26.453 0.300 . 1 . . . . 20 LYS CG . 10304 1 138 . 1 1 20 20 LYS N N 15 122.940 0.300 . 1 . . . . 20 LYS N . 10304 1 139 . 1 1 21 21 SER H H 1 7.940 0.030 . 1 . . . . 21 SER H . 10304 1 140 . 1 1 21 21 SER HA H 1 5.286 0.030 . 1 . . . . 21 SER HA . 10304 1 141 . 1 1 21 21 SER HB2 H 1 3.609 0.030 . 1 . . . . 21 SER HB2 . 10304 1 142 . 1 1 21 21 SER HB3 H 1 3.609 0.030 . 1 . . . . 21 SER HB3 . 10304 1 143 . 1 1 21 21 SER C C 13 173.454 0.300 . 1 . . . . 21 SER C . 10304 1 144 . 1 1 21 21 SER CA C 13 56.899 0.300 . 1 . . . . 21 SER CA . 10304 1 145 . 1 1 21 21 SER CB C 13 66.182 0.300 . 1 . . . . 21 SER CB . 10304 1 146 . 1 1 21 21 SER N N 15 114.814 0.300 . 1 . . . . 21 SER N . 10304 1 147 . 1 1 22 22 PHE H H 1 8.760 0.030 . 1 . . . . 22 PHE H . 10304 1 148 . 1 1 22 22 PHE HA H 1 4.818 0.030 . 1 . . . . 22 PHE HA . 10304 1 149 . 1 1 22 22 PHE HB2 H 1 2.674 0.030 . 2 . . . . 22 PHE HB2 . 10304 1 150 . 1 1 22 22 PHE HB3 H 1 3.542 0.030 . 2 . . . . 22 PHE HB3 . 10304 1 151 . 1 1 22 22 PHE HD1 H 1 7.332 0.030 . 1 . . . . 22 PHE HD1 . 10304 1 152 . 1 1 22 22 PHE HD2 H 1 7.332 0.030 . 1 . . . . 22 PHE HD2 . 10304 1 153 . 1 1 22 22 PHE HE1 H 1 6.858 0.030 . 1 . . . . 22 PHE HE1 . 10304 1 154 . 1 1 22 22 PHE HE2 H 1 6.858 0.030 . 1 . . . . 22 PHE HE2 . 10304 1 155 . 1 1 22 22 PHE HZ H 1 6.253 0.030 . 1 . . . . 22 PHE HZ . 10304 1 156 . 1 1 22 22 PHE C C 13 175.262 0.300 . 1 . . . . 22 PHE C . 10304 1 157 . 1 1 22 22 PHE CA C 13 57.640 0.300 . 1 . . . . 22 PHE CA . 10304 1 158 . 1 1 22 22 PHE CB C 13 43.860 0.300 . 1 . . . . 22 PHE CB . 10304 1 159 . 1 1 22 22 PHE CD1 C 13 132.446 0.300 . 1 . . . . 22 PHE CD1 . 10304 1 160 . 1 1 22 22 PHE CD2 C 13 132.446 0.300 . 1 . . . . 22 PHE CD2 . 10304 1 161 . 1 1 22 22 PHE CE1 C 13 130.745 0.300 . 1 . . . . 22 PHE CE1 . 10304 1 162 . 1 1 22 22 PHE CE2 C 13 130.745 0.300 . 1 . . . . 22 PHE CE2 . 10304 1 163 . 1 1 22 22 PHE CZ C 13 128.875 0.300 . 1 . . . . 22 PHE CZ . 10304 1 164 . 1 1 22 22 PHE N N 15 118.826 0.300 . 1 . . . . 22 PHE N . 10304 1 165 . 1 1 23 23 ILE H H 1 9.281 0.030 . 1 . . . . 23 ILE H . 10304 1 166 . 1 1 23 23 ILE HA H 1 4.221 0.030 . 1 . . . . 23 ILE HA . 10304 1 167 . 1 1 23 23 ILE HB H 1 2.056 0.030 . 1 . . . . 23 ILE HB . 10304 1 168 . 1 1 23 23 ILE HD11 H 1 0.995 0.030 . 1 . . . . 23 ILE HD1 . 10304 1 169 . 1 1 23 23 ILE HD12 H 1 0.995 0.030 . 1 . . . . 23 ILE HD1 . 10304 1 170 . 1 1 23 23 ILE HD13 H 1 0.995 0.030 . 1 . . . . 23 ILE HD1 . 10304 1 171 . 1 1 23 23 ILE HG12 H 1 1.395 0.030 . 2 . . . . 23 ILE HG12 . 10304 1 172 . 1 1 23 23 ILE HG13 H 1 1.677 0.030 . 2 . . . . 23 ILE HG13 . 10304 1 173 . 1 1 23 23 ILE HG21 H 1 1.091 0.030 . 1 . . . . 23 ILE HG2 . 10304 1 174 . 1 1 23 23 ILE HG22 H 1 1.091 0.030 . 1 . . . . 23 ILE HG2 . 10304 1 175 . 1 1 23 23 ILE HG23 H 1 1.091 0.030 . 1 . . . . 23 ILE HG2 . 10304 1 176 . 1 1 23 23 ILE C C 13 176.209 0.300 . 1 . . . . 23 ILE C . 10304 1 177 . 1 1 23 23 ILE CA C 13 63.789 0.300 . 1 . . . . 23 ILE CA . 10304 1 178 . 1 1 23 23 ILE CB C 13 38.970 0.300 . 1 . . . . 23 ILE CB . 10304 1 179 . 1 1 23 23 ILE CD1 C 13 13.345 0.300 . 1 . . . . 23 ILE CD1 . 10304 1 180 . 1 1 23 23 ILE CG1 C 13 28.519 0.300 . 1 . . . . 23 ILE CG1 . 10304 1 181 . 1 1 23 23 ILE CG2 C 13 17.931 0.300 . 1 . . . . 23 ILE CG2 . 10304 1 182 . 1 1 23 23 ILE N N 15 120.566 0.300 . 1 . . . . 23 ILE N . 10304 1 183 . 1 1 24 24 GLN H H 1 7.484 0.030 . 1 . . . . 24 GLN H . 10304 1 184 . 1 1 24 24 GLN HA H 1 4.666 0.030 . 1 . . . . 24 GLN HA . 10304 1 185 . 1 1 24 24 GLN HB2 H 1 1.966 0.030 . 2 . . . . 24 GLN HB2 . 10304 1 186 . 1 1 24 24 GLN HB3 H 1 0.922 0.030 . 2 . . . . 24 GLN HB3 . 10304 1 187 . 1 1 24 24 GLN HE21 H 1 7.400 0.030 . 2 . . . . 24 GLN HE21 . 10304 1 188 . 1 1 24 24 GLN HE22 H 1 6.858 0.030 . 2 . . . . 24 GLN HE22 . 10304 1 189 . 1 1 24 24 GLN HG2 H 1 2.154 0.030 . 2 . . . . 24 GLN HG2 . 10304 1 190 . 1 1 24 24 GLN HG3 H 1 2.227 0.030 . 2 . . . . 24 GLN HG3 . 10304 1 191 . 1 1 24 24 GLN C C 13 176.841 0.300 . 1 . . . . 24 GLN C . 10304 1 192 . 1 1 24 24 GLN CA C 13 53.778 0.300 . 1 . . . . 24 GLN CA . 10304 1 193 . 1 1 24 24 GLN CB C 13 30.338 0.300 . 1 . . . . 24 GLN CB . 10304 1 194 . 1 1 24 24 GLN CG C 13 33.572 0.300 . 1 . . . . 24 GLN CG . 10304 1 195 . 1 1 24 24 GLN N N 15 114.821 0.300 . 1 . . . . 24 GLN N . 10304 1 196 . 1 1 24 24 GLN NE2 N 15 111.403 0.300 . 1 . . . . 24 GLN NE2 . 10304 1 197 . 1 1 25 25 SER H H 1 7.819 0.030 . 1 . . . . 25 SER H . 10304 1 198 . 1 1 25 25 SER HA H 1 3.255 0.030 . 1 . . . . 25 SER HA . 10304 1 199 . 1 1 25 25 SER HB2 H 1 3.367 0.030 . 2 . . . . 25 SER HB2 . 10304 1 200 . 1 1 25 25 SER HB3 H 1 3.605 0.030 . 2 . . . . 25 SER HB3 . 10304 1 201 . 1 1 25 25 SER CA C 13 61.479 0.300 . 1 . . . . 25 SER CA . 10304 1 202 . 1 1 25 25 SER CB C 13 61.741 0.300 . 1 . . . . 25 SER CB . 10304 1 203 . 1 1 26 26 ALA H H 1 8.646 0.030 . 1 . . . . 26 ALA H . 10304 1 204 . 1 1 26 26 ALA HA H 1 3.976 0.030 . 1 . . . . 26 ALA HA . 10304 1 205 . 1 1 26 26 ALA HB1 H 1 1.331 0.030 . 1 . . . . 26 ALA HB . 10304 1 206 . 1 1 26 26 ALA HB2 H 1 1.331 0.030 . 1 . . . . 26 ALA HB . 10304 1 207 . 1 1 26 26 ALA HB3 H 1 1.331 0.030 . 1 . . . . 26 ALA HB . 10304 1 208 . 1 1 26 26 ALA C C 13 180.045 0.300 . 1 . . . . 26 ALA C . 10304 1 209 . 1 1 26 26 ALA CA C 13 55.171 0.300 . 1 . . . . 26 ALA CA . 10304 1 210 . 1 1 26 26 ALA CB C 13 18.344 0.300 . 1 . . . . 26 ALA CB . 10304 1 211 . 1 1 26 26 ALA N N 15 121.333 0.300 . 1 . . . . 26 ALA N . 10304 1 212 . 1 1 27 27 HIS H H 1 6.858 0.030 . 1 . . . . 27 HIS H . 10304 1 213 . 1 1 27 27 HIS HA H 1 4.396 0.030 . 1 . . . . 27 HIS HA . 10304 1 214 . 1 1 27 27 HIS HB2 H 1 3.407 0.030 . 2 . . . . 27 HIS HB2 . 10304 1 215 . 1 1 27 27 HIS HB3 H 1 3.201 0.030 . 2 . . . . 27 HIS HB3 . 10304 1 216 . 1 1 27 27 HIS HD2 H 1 6.856 0.030 . 1 . . . . 27 HIS HD2 . 10304 1 217 . 1 1 27 27 HIS HE1 H 1 7.825 0.030 . 1 . . . . 27 HIS HE1 . 10304 1 218 . 1 1 27 27 HIS C C 13 178.297 0.300 . 1 . . . . 27 HIS C . 10304 1 219 . 1 1 27 27 HIS CA C 13 56.558 0.300 . 1 . . . . 27 HIS CA . 10304 1 220 . 1 1 27 27 HIS CB C 13 31.791 0.300 . 1 . . . . 27 HIS CB . 10304 1 221 . 1 1 27 27 HIS CD2 C 13 116.196 0.300 . 1 . . . . 27 HIS CD2 . 10304 1 222 . 1 1 27 27 HIS CE1 C 13 139.113 0.300 . 1 . . . . 27 HIS CE1 . 10304 1 223 . 1 1 27 27 HIS N N 15 114.920 0.300 . 1 . . . . 27 HIS N . 10304 1 224 . 1 1 28 28 LEU H H 1 7.013 0.030 . 1 . . . . 28 LEU H . 10304 1 225 . 1 1 28 28 LEU HA H 1 3.315 0.030 . 1 . . . . 28 LEU HA . 10304 1 226 . 1 1 28 28 LEU HB2 H 1 2.097 0.030 . 2 . . . . 28 LEU HB2 . 10304 1 227 . 1 1 28 28 LEU HB3 H 1 1.275 0.030 . 2 . . . . 28 LEU HB3 . 10304 1 228 . 1 1 28 28 LEU HD11 H 1 0.991 0.030 . 1 . . . . 28 LEU HD1 . 10304 1 229 . 1 1 28 28 LEU HD12 H 1 0.991 0.030 . 1 . . . . 28 LEU HD1 . 10304 1 230 . 1 1 28 28 LEU HD13 H 1 0.991 0.030 . 1 . . . . 28 LEU HD1 . 10304 1 231 . 1 1 28 28 LEU HD21 H 1 1.040 0.030 . 1 . . . . 28 LEU HD2 . 10304 1 232 . 1 1 28 28 LEU HD22 H 1 1.040 0.030 . 1 . . . . 28 LEU HD2 . 10304 1 233 . 1 1 28 28 LEU HD23 H 1 1.040 0.030 . 1 . . . . 28 LEU HD2 . 10304 1 234 . 1 1 28 28 LEU HG H 1 1.519 0.030 . 1 . . . . 28 LEU HG . 10304 1 235 . 1 1 28 28 LEU C C 13 177.363 0.300 . 1 . . . . 28 LEU C . 10304 1 236 . 1 1 28 28 LEU CA C 13 57.860 0.300 . 1 . . . . 28 LEU CA . 10304 1 237 . 1 1 28 28 LEU CB C 13 40.301 0.300 . 1 . . . . 28 LEU CB . 10304 1 238 . 1 1 28 28 LEU CD1 C 13 26.420 0.300 . 2 . . . . 28 LEU CD1 . 10304 1 239 . 1 1 28 28 LEU CD2 C 13 23.063 0.300 . 2 . . . . 28 LEU CD2 . 10304 1 240 . 1 1 28 28 LEU CG C 13 27.604 0.300 . 1 . . . . 28 LEU CG . 10304 1 241 . 1 1 28 28 LEU N N 15 122.100 0.300 . 1 . . . . 28 LEU N . 10304 1 242 . 1 1 29 29 ILE H H 1 7.984 0.030 . 1 . . . . 29 ILE H . 10304 1 243 . 1 1 29 29 ILE HA H 1 3.756 0.030 . 1 . . . . 29 ILE HA . 10304 1 244 . 1 1 29 29 ILE HB H 1 1.781 0.030 . 1 . . . . 29 ILE HB . 10304 1 245 . 1 1 29 29 ILE HD11 H 1 0.773 0.030 . 1 . . . . 29 ILE HD1 . 10304 1 246 . 1 1 29 29 ILE HD12 H 1 0.773 0.030 . 1 . . . . 29 ILE HD1 . 10304 1 247 . 1 1 29 29 ILE HD13 H 1 0.773 0.030 . 1 . . . . 29 ILE HD1 . 10304 1 248 . 1 1 29 29 ILE HG12 H 1 1.205 0.030 . 2 . . . . 29 ILE HG12 . 10304 1 249 . 1 1 29 29 ILE HG13 H 1 1.541 0.030 . 2 . . . . 29 ILE HG13 . 10304 1 250 . 1 1 29 29 ILE HG21 H 1 0.883 0.030 . 1 . . . . 29 ILE HG2 . 10304 1 251 . 1 1 29 29 ILE HG22 H 1 0.883 0.030 . 1 . . . . 29 ILE HG2 . 10304 1 252 . 1 1 29 29 ILE HG23 H 1 0.883 0.030 . 1 . . . . 29 ILE HG2 . 10304 1 253 . 1 1 29 29 ILE C C 13 179.038 0.300 . 1 . . . . 29 ILE C . 10304 1 254 . 1 1 29 29 ILE CA C 13 64.607 0.300 . 1 . . . . 29 ILE CA . 10304 1 255 . 1 1 29 29 ILE CB C 13 37.720 0.300 . 1 . . . . 29 ILE CB . 10304 1 256 . 1 1 29 29 ILE CD1 C 13 12.370 0.300 . 1 . . . . 29 ILE CD1 . 10304 1 257 . 1 1 29 29 ILE CG1 C 13 29.063 0.300 . 1 . . . . 29 ILE CG1 . 10304 1 258 . 1 1 29 29 ILE CG2 C 13 17.156 0.300 . 1 . . . . 29 ILE CG2 . 10304 1 259 . 1 1 29 29 ILE N N 15 119.727 0.300 . 1 . . . . 29 ILE N . 10304 1 260 . 1 1 30 30 GLN H H 1 7.517 0.030 . 1 . . . . 30 GLN H . 10304 1 261 . 1 1 30 30 GLN HA H 1 3.956 0.030 . 1 . . . . 30 GLN HA . 10304 1 262 . 1 1 30 30 GLN HB2 H 1 2.059 0.030 . 1 . . . . 30 GLN HB2 . 10304 1 263 . 1 1 30 30 GLN HB3 H 1 2.059 0.030 . 1 . . . . 30 GLN HB3 . 10304 1 264 . 1 1 30 30 GLN HE21 H 1 6.858 0.030 . 2 . . . . 30 GLN HE21 . 10304 1 265 . 1 1 30 30 GLN HE22 H 1 7.443 0.030 . 2 . . . . 30 GLN HE22 . 10304 1 266 . 1 1 30 30 GLN HG2 H 1 2.434 0.030 . 1 . . . . 30 GLN HG2 . 10304 1 267 . 1 1 30 30 GLN HG3 H 1 2.434 0.030 . 1 . . . . 30 GLN HG3 . 10304 1 268 . 1 1 30 30 GLN C C 13 178.632 0.300 . 1 . . . . 30 GLN C . 10304 1 269 . 1 1 30 30 GLN CA C 13 58.737 0.300 . 1 . . . . 30 GLN CA . 10304 1 270 . 1 1 30 30 GLN CB C 13 28.472 0.300 . 1 . . . . 30 GLN CB . 10304 1 271 . 1 1 30 30 GLN CG C 13 33.599 0.300 . 1 . . . . 30 GLN CG . 10304 1 272 . 1 1 30 30 GLN N N 15 117.514 0.300 . 1 . . . . 30 GLN N . 10304 1 273 . 1 1 30 30 GLN NE2 N 15 111.746 0.300 . 1 . . . . 30 GLN NE2 . 10304 1 274 . 1 1 31 31 HIS H H 1 7.677 0.030 . 1 . . . . 31 HIS H . 10304 1 275 . 1 1 31 31 HIS HA H 1 4.199 0.030 . 1 . . . . 31 HIS HA . 10304 1 276 . 1 1 31 31 HIS HB2 H 1 3.181 0.030 . 2 . . . . 31 HIS HB2 . 10304 1 277 . 1 1 31 31 HIS HB3 H 1 2.885 0.030 . 2 . . . . 31 HIS HB3 . 10304 1 278 . 1 1 31 31 HIS HD2 H 1 6.944 0.030 . 1 . . . . 31 HIS HD2 . 10304 1 279 . 1 1 31 31 HIS HE1 H 1 8.054 0.030 . 1 . . . . 31 HIS HE1 . 10304 1 280 . 1 1 31 31 HIS C C 13 176.197 0.300 . 1 . . . . 31 HIS C . 10304 1 281 . 1 1 31 31 HIS CA C 13 59.127 0.300 . 1 . . . . 31 HIS CA . 10304 1 282 . 1 1 31 31 HIS CB C 13 28.525 0.300 . 1 . . . . 31 HIS CB . 10304 1 283 . 1 1 31 31 HIS CD2 C 13 127.168 0.300 . 1 . . . . 31 HIS CD2 . 10304 1 284 . 1 1 31 31 HIS CE1 C 13 139.683 0.300 . 1 . . . . 31 HIS CE1 . 10304 1 285 . 1 1 31 31 HIS N N 15 119.357 0.300 . 1 . . . . 31 HIS N . 10304 1 286 . 1 1 32 32 GLN H H 1 8.416 0.030 . 1 . . . . 32 GLN H . 10304 1 287 . 1 1 32 32 GLN HA H 1 3.673 0.030 . 1 . . . . 32 GLN HA . 10304 1 288 . 1 1 32 32 GLN HB2 H 1 2.329 0.030 . 2 . . . . 32 GLN HB2 . 10304 1 289 . 1 1 32 32 GLN HB3 H 1 2.230 0.030 . 2 . . . . 32 GLN HB3 . 10304 1 290 . 1 1 32 32 GLN HE21 H 1 6.955 0.030 . 2 . . . . 32 GLN HE21 . 10304 1 291 . 1 1 32 32 GLN HE22 H 1 7.595 0.030 . 2 . . . . 32 GLN HE22 . 10304 1 292 . 1 1 32 32 GLN HG2 H 1 2.821 0.030 . 2 . . . . 32 GLN HG2 . 10304 1 293 . 1 1 32 32 GLN HG3 H 1 2.884 0.030 . 2 . . . . 32 GLN HG3 . 10304 1 294 . 1 1 32 32 GLN C C 13 177.351 0.300 . 1 . . . . 32 GLN C . 10304 1 295 . 1 1 32 32 GLN CA C 13 59.427 0.300 . 1 . . . . 32 GLN CA . 10304 1 296 . 1 1 32 32 GLN CB C 13 28.272 0.300 . 1 . . . . 32 GLN CB . 10304 1 297 . 1 1 32 32 GLN CG C 13 35.691 0.300 . 1 . . . . 32 GLN CG . 10304 1 298 . 1 1 32 32 GLN N N 15 115.505 0.300 . 1 . . . . 32 GLN N . 10304 1 299 . 1 1 32 32 GLN NE2 N 15 112.117 0.300 . 1 . . . . 32 GLN NE2 . 10304 1 300 . 1 1 33 33 ARG H H 1 7.142 0.030 . 1 . . . . 33 ARG H . 10304 1 301 . 1 1 33 33 ARG HA H 1 4.142 0.030 . 1 . . . . 33 ARG HA . 10304 1 302 . 1 1 33 33 ARG HB2 H 1 1.789 0.030 . 2 . . . . 33 ARG HB2 . 10304 1 303 . 1 1 33 33 ARG HB3 H 1 1.893 0.030 . 2 . . . . 33 ARG HB3 . 10304 1 304 . 1 1 33 33 ARG HD2 H 1 3.207 0.030 . 1 . . . . 33 ARG HD2 . 10304 1 305 . 1 1 33 33 ARG HD3 H 1 3.207 0.030 . 1 . . . . 33 ARG HD3 . 10304 1 306 . 1 1 33 33 ARG HG2 H 1 1.859 0.030 . 2 . . . . 33 ARG HG2 . 10304 1 307 . 1 1 33 33 ARG HG3 H 1 1.672 0.030 . 2 . . . . 33 ARG HG3 . 10304 1 308 . 1 1 33 33 ARG C C 13 178.577 0.300 . 1 . . . . 33 ARG C . 10304 1 309 . 1 1 33 33 ARG CA C 13 58.528 0.300 . 1 . . . . 33 ARG CA . 10304 1 310 . 1 1 33 33 ARG CB C 13 30.050 0.300 . 1 . . . . 33 ARG CB . 10304 1 311 . 1 1 33 33 ARG CD C 13 43.541 0.300 . 1 . . . . 33 ARG CD . 10304 1 312 . 1 1 33 33 ARG CG C 13 27.649 0.300 . 1 . . . . 33 ARG CG . 10304 1 313 . 1 1 33 33 ARG N N 15 117.705 0.300 . 1 . . . . 33 ARG N . 10304 1 314 . 1 1 34 34 ILE H H 1 7.823 0.030 . 1 . . . . 34 ILE H . 10304 1 315 . 1 1 34 34 ILE HA H 1 3.992 0.030 . 1 . . . . 34 ILE HA . 10304 1 316 . 1 1 34 34 ILE HB H 1 1.689 0.030 . 1 . . . . 34 ILE HB . 10304 1 317 . 1 1 34 34 ILE HD11 H 1 0.721 0.030 . 1 . . . . 34 ILE HD1 . 10304 1 318 . 1 1 34 34 ILE HD12 H 1 0.721 0.030 . 1 . . . . 34 ILE HD1 . 10304 1 319 . 1 1 34 34 ILE HD13 H 1 0.721 0.030 . 1 . . . . 34 ILE HD1 . 10304 1 320 . 1 1 34 34 ILE HG12 H 1 0.958 0.030 . 2 . . . . 34 ILE HG12 . 10304 1 321 . 1 1 34 34 ILE HG13 H 1 0.797 0.030 . 2 . . . . 34 ILE HG13 . 10304 1 322 . 1 1 34 34 ILE HG21 H 1 0.577 0.030 . 1 . . . . 34 ILE HG2 . 10304 1 323 . 1 1 34 34 ILE HG22 H 1 0.577 0.030 . 1 . . . . 34 ILE HG2 . 10304 1 324 . 1 1 34 34 ILE HG23 H 1 0.577 0.030 . 1 . . . . 34 ILE HG2 . 10304 1 325 . 1 1 34 34 ILE C C 13 177.375 0.300 . 1 . . . . 34 ILE C . 10304 1 326 . 1 1 34 34 ILE CA C 13 63.026 0.300 . 1 . . . . 34 ILE CA . 10304 1 327 . 1 1 34 34 ILE CB C 13 37.726 0.300 . 1 . . . . 34 ILE CB . 10304 1 328 . 1 1 34 34 ILE CD1 C 13 14.330 0.300 . 1 . . . . 34 ILE CD1 . 10304 1 329 . 1 1 34 34 ILE CG1 C 13 26.785 0.300 . 1 . . . . 34 ILE CG1 . 10304 1 330 . 1 1 34 34 ILE CG2 C 13 16.542 0.300 . 1 . . . . 34 ILE CG2 . 10304 1 331 . 1 1 34 34 ILE N N 15 116.218 0.300 . 1 . . . . 34 ILE N . 10304 1 332 . 1 1 35 35 HIS H H 1 7.216 0.030 . 1 . . . . 35 HIS H . 10304 1 333 . 1 1 35 35 HIS HA H 1 4.877 0.030 . 1 . . . . 35 HIS HA . 10304 1 334 . 1 1 35 35 HIS HB2 H 1 3.368 0.030 . 2 . . . . 35 HIS HB2 . 10304 1 335 . 1 1 35 35 HIS HB3 H 1 3.246 0.030 . 2 . . . . 35 HIS HB3 . 10304 1 336 . 1 1 35 35 HIS HD2 H 1 6.771 0.030 . 1 . . . . 35 HIS HD2 . 10304 1 337 . 1 1 35 35 HIS HE1 H 1 8.064 0.030 . 1 . . . . 35 HIS HE1 . 10304 1 338 . 1 1 35 35 HIS C C 13 175.858 0.300 . 1 . . . . 35 HIS C . 10304 1 339 . 1 1 35 35 HIS CA C 13 55.266 0.300 . 1 . . . . 35 HIS CA . 10304 1 340 . 1 1 35 35 HIS CB C 13 28.572 0.300 . 1 . . . . 35 HIS CB . 10304 1 341 . 1 1 35 35 HIS CD2 C 13 127.640 0.300 . 1 . . . . 35 HIS CD2 . 10304 1 342 . 1 1 35 35 HIS CE1 C 13 139.987 0.300 . 1 . . . . 35 HIS CE1 . 10304 1 343 . 1 1 35 35 HIS N N 15 117.783 0.300 . 1 . . . . 35 HIS N . 10304 1 344 . 1 1 36 36 THR H H 1 7.777 0.030 . 1 . . . . 36 THR H . 10304 1 345 . 1 1 36 36 THR HA H 1 4.364 0.030 . 1 . . . . 36 THR HA . 10304 1 346 . 1 1 36 36 THR HB H 1 4.337 0.030 . 1 . . . . 36 THR HB . 10304 1 347 . 1 1 36 36 THR HG21 H 1 1.250 0.030 . 1 . . . . 36 THR HG2 . 10304 1 348 . 1 1 36 36 THR HG22 H 1 1.250 0.030 . 1 . . . . 36 THR HG2 . 10304 1 349 . 1 1 36 36 THR HG23 H 1 1.250 0.030 . 1 . . . . 36 THR HG2 . 10304 1 350 . 1 1 36 36 THR CA C 13 62.546 0.300 . 1 . . . . 36 THR CA . 10304 1 351 . 1 1 36 36 THR CB C 13 69.837 0.300 . 1 . . . . 36 THR CB . 10304 1 352 . 1 1 36 36 THR CG2 C 13 21.618 0.300 . 1 . . . . 36 THR CG2 . 10304 1 353 . 1 1 36 36 THR N N 15 111.738 0.300 . 1 . . . . 36 THR N . 10304 1 354 . 1 1 37 37 GLY H H 1 8.217 0.030 . 1 . . . . 37 GLY H . 10304 1 355 . 1 1 37 37 GLY HA2 H 1 3.965 0.030 . 2 . . . . 37 GLY HA2 . 10304 1 356 . 1 1 37 37 GLY HA3 H 1 4.039 0.030 . 2 . . . . 37 GLY HA3 . 10304 1 357 . 1 1 37 37 GLY CA C 13 45.457 0.300 . 1 . . . . 37 GLY CA . 10304 1 358 . 1 1 37 37 GLY N N 15 110.619 0.300 . 1 . . . . 37 GLY N . 10304 1 359 . 1 1 38 38 GLU H H 1 8.082 0.030 . 1 . . . . 38 GLU H . 10304 1 360 . 1 1 38 38 GLU HA H 1 4.256 0.030 . 1 . . . . 38 GLU HA . 10304 1 361 . 1 1 38 38 GLU HB2 H 1 1.917 0.030 . 2 . . . . 38 GLU HB2 . 10304 1 362 . 1 1 38 38 GLU HB3 H 1 2.000 0.030 . 2 . . . . 38 GLU HB3 . 10304 1 363 . 1 1 38 38 GLU HG2 H 1 2.279 0.030 . 2 . . . . 38 GLU HG2 . 10304 1 364 . 1 1 38 38 GLU HG3 H 1 2.217 0.030 . 2 . . . . 38 GLU HG3 . 10304 1 365 . 1 1 38 38 GLU CA C 13 56.478 0.300 . 1 . . . . 38 GLU CA . 10304 1 366 . 1 1 38 38 GLU CB C 13 30.553 0.300 . 1 . . . . 38 GLU CB . 10304 1 367 . 1 1 38 38 GLU CG C 13 36.310 0.300 . 1 . . . . 38 GLU CG . 10304 1 368 . 1 1 38 38 GLU N N 15 120.591 0.300 . 1 . . . . 38 GLU N . 10304 1 369 . 1 1 39 39 LYS H H 1 8.389 0.030 . 1 . . . . 39 LYS H . 10304 1 370 . 1 1 39 39 LYS HA H 1 4.620 0.030 . 1 . . . . 39 LYS HA . 10304 1 371 . 1 1 39 39 LYS HB2 H 1 1.826 0.030 . 2 . . . . 39 LYS HB2 . 10304 1 372 . 1 1 39 39 LYS HB3 H 1 1.735 0.030 . 2 . . . . 39 LYS HB3 . 10304 1 373 . 1 1 39 39 LYS HD2 H 1 1.696 0.030 . 1 . . . . 39 LYS HD2 . 10304 1 374 . 1 1 39 39 LYS HD3 H 1 1.696 0.030 . 1 . . . . 39 LYS HD3 . 10304 1 375 . 1 1 39 39 LYS HE2 H 1 3.013 0.030 . 1 . . . . 39 LYS HE2 . 10304 1 376 . 1 1 39 39 LYS HE3 H 1 3.013 0.030 . 1 . . . . 39 LYS HE3 . 10304 1 377 . 1 1 39 39 LYS HG2 H 1 1.480 0.030 . 1 . . . . 39 LYS HG2 . 10304 1 378 . 1 1 39 39 LYS HG3 H 1 1.480 0.030 . 1 . . . . 39 LYS HG3 . 10304 1 379 . 1 1 39 39 LYS CA C 13 54.115 0.300 . 1 . . . . 39 LYS CA . 10304 1 380 . 1 1 39 39 LYS CB C 13 32.537 0.300 . 1 . . . . 39 LYS CB . 10304 1 381 . 1 1 39 39 LYS CD C 13 29.136 0.300 . 1 . . . . 39 LYS CD . 10304 1 382 . 1 1 39 39 LYS CE C 13 42.248 0.300 . 1 . . . . 39 LYS CE . 10304 1 383 . 1 1 39 39 LYS CG C 13 24.520 0.300 . 1 . . . . 39 LYS CG . 10304 1 384 . 1 1 39 39 LYS N N 15 123.767 0.300 . 1 . . . . 39 LYS N . 10304 1 385 . 1 1 40 40 PRO HA H 1 4.485 0.030 . 1 . . . . 40 PRO HA . 10304 1 386 . 1 1 40 40 PRO HB2 H 1 2.305 0.030 . 2 . . . . 40 PRO HB2 . 10304 1 387 . 1 1 40 40 PRO HB3 H 1 1.941 0.030 . 2 . . . . 40 PRO HB3 . 10304 1 388 . 1 1 40 40 PRO HD2 H 1 3.659 0.030 . 2 . . . . 40 PRO HD2 . 10304 1 389 . 1 1 40 40 PRO HD3 H 1 3.827 0.030 . 2 . . . . 40 PRO HD3 . 10304 1 390 . 1 1 40 40 PRO HG2 H 1 2.027 0.030 . 1 . . . . 40 PRO HG2 . 10304 1 391 . 1 1 40 40 PRO HG3 H 1 2.027 0.030 . 1 . . . . 40 PRO HG3 . 10304 1 392 . 1 1 40 40 PRO C C 13 176.986 0.300 . 1 . . . . 40 PRO C . 10304 1 393 . 1 1 40 40 PRO CA C 13 63.272 0.300 . 1 . . . . 40 PRO CA . 10304 1 394 . 1 1 40 40 PRO CB C 13 32.169 0.300 . 1 . . . . 40 PRO CB . 10304 1 395 . 1 1 40 40 PRO CD C 13 50.699 0.300 . 1 . . . . 40 PRO CD . 10304 1 396 . 1 1 40 40 PRO CG C 13 27.399 0.300 . 1 . . . . 40 PRO CG . 10304 1 397 . 1 1 41 41 SER H H 1 8.476 0.030 . 1 . . . . 41 SER H . 10304 1 398 . 1 1 41 41 SER HA H 1 4.479 0.030 . 1 . . . . 41 SER HA . 10304 1 399 . 1 1 41 41 SER HB2 H 1 3.903 0.030 . 1 . . . . 41 SER HB2 . 10304 1 400 . 1 1 41 41 SER HB3 H 1 3.903 0.030 . 1 . . . . 41 SER HB3 . 10304 1 401 . 1 1 41 41 SER C C 13 174.486 0.300 . 1 . . . . 41 SER C . 10304 1 402 . 1 1 41 41 SER CA C 13 58.389 0.300 . 1 . . . . 41 SER CA . 10304 1 403 . 1 1 41 41 SER CB C 13 63.988 0.300 . 1 . . . . 41 SER CB . 10304 1 404 . 1 1 41 41 SER N N 15 116.480 0.300 . 1 . . . . 41 SER N . 10304 1 405 . 1 1 42 42 GLY HA2 H 1 4.116 0.030 . 2 . . . . 42 GLY HA2 . 10304 1 406 . 1 1 42 42 GLY HA3 H 1 4.172 0.030 . 2 . . . . 42 GLY HA3 . 10304 1 407 . 1 1 42 42 GLY CA C 13 44.694 0.300 . 1 . . . . 42 GLY CA . 10304 1 408 . 1 1 43 43 PRO HA H 1 4.471 0.030 . 1 . . . . 43 PRO HA . 10304 1 409 . 1 1 43 43 PRO HB2 H 1 2.315 0.030 . 2 . . . . 43 PRO HB2 . 10304 1 410 . 1 1 43 43 PRO HB3 H 1 1.975 0.030 . 2 . . . . 43 PRO HB3 . 10304 1 411 . 1 1 43 43 PRO HD2 H 1 3.637 0.030 . 1 . . . . 43 PRO HD2 . 10304 1 412 . 1 1 43 43 PRO HD3 H 1 3.637 0.030 . 1 . . . . 43 PRO HD3 . 10304 1 413 . 1 1 43 43 PRO HG2 H 1 2.019 0.030 . 1 . . . . 43 PRO HG2 . 10304 1 414 . 1 1 43 43 PRO HG3 H 1 2.019 0.030 . 1 . . . . 43 PRO HG3 . 10304 1 415 . 1 1 43 43 PRO CA C 13 63.242 0.300 . 1 . . . . 43 PRO CA . 10304 1 416 . 1 1 43 43 PRO CB C 13 32.211 0.300 . 1 . . . . 43 PRO CB . 10304 1 417 . 1 1 43 43 PRO CD C 13 49.812 0.300 . 1 . . . . 43 PRO CD . 10304 1 418 . 1 1 43 43 PRO CG C 13 27.108 0.300 . 1 . . . . 43 PRO CG . 10304 1 419 . 1 1 45 45 SER HA H 1 4.501 0.030 . 1 . . . . 45 SER HA . 10304 1 420 . 1 1 45 45 SER HB2 H 1 3.902 0.030 . 1 . . . . 45 SER HB2 . 10304 1 421 . 1 1 45 45 SER HB3 H 1 3.902 0.030 . 1 . . . . 45 SER HB3 . 10304 1 422 . 1 1 45 45 SER C C 13 173.879 0.300 . 1 . . . . 45 SER C . 10304 1 423 . 1 1 45 45 SER CA C 13 58.322 0.300 . 1 . . . . 45 SER CA . 10304 1 424 . 1 1 45 45 SER CB C 13 63.990 0.300 . 1 . . . . 45 SER CB . 10304 1 425 . 1 1 46 46 GLY H H 1 8.041 0.030 . 1 . . . . 46 GLY H . 10304 1 426 . 1 1 46 46 GLY HA2 H 1 3.763 0.030 . 2 . . . . 46 GLY HA2 . 10304 1 427 . 1 1 46 46 GLY HA3 H 1 3.798 0.030 . 2 . . . . 46 GLY HA3 . 10304 1 428 . 1 1 46 46 GLY C C 13 179.001 0.300 . 1 . . . . 46 GLY C . 10304 1 429 . 1 1 46 46 GLY CA C 13 46.224 0.300 . 1 . . . . 46 GLY CA . 10304 1 430 . 1 1 46 46 GLY N N 15 116.860 0.300 . 1 . . . . 46 GLY N . 10304 1 stop_ save_