################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list _Assigned_chem_shift_list.Entry_ID 15408 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 15408 1 2 '2D 1H-13C HSQC' . . . 15408 1 3 '3D HNCACB' . . . 15408 1 4 '3D HNCO' . . . 15408 1 5 '3D HCCH-TOCSY' . . . 15408 1 6 '3D HCC-TOCSY-NNH' . . . 15408 1 7 '3D CCC-TOCSY_NNH' . . . 15408 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 1 1 MET HA H 1 4.048 0.015 . 1 . . . . 0 M HA . 15408 1 2 . 1 1 1 1 MET HB2 H 1 2.586 0.015 . 1 . . . . 0 M HB1 . 15408 1 3 . 1 1 1 1 MET HB3 H 1 2.613 0.015 . 1 . . . . 0 M HB2 . 15408 1 4 . 1 1 1 1 MET HG2 H 1 2.023 0.015 . 1 . . . . 0 M HG1 . 15408 1 5 . 1 1 1 1 MET HG3 H 1 2.124 0.015 . 1 . . . . 0 M HG2 . 15408 1 6 . 1 1 1 1 MET CA C 13 55.057 0.15 . 1 . . . . 0 M CA . 15408 1 7 . 1 1 1 1 MET CB C 13 33.315 0.15 . 1 . . . . 0 M CB . 15408 1 8 . 1 1 1 1 MET CG C 13 33.513 0.15 . 1 . . . . 0 M CG . 15408 1 9 . 1 1 2 2 THR H H 1 8.544 0.015 . 1 . . . . 1 T HN . 15408 1 10 . 1 1 2 2 THR HA H 1 4.420 0.015 . 1 . . . . 1 T HA . 15408 1 11 . 1 1 2 2 THR HB H 1 3.950 0.015 . 1 . . . . 1 T HB . 15408 1 12 . 1 1 2 2 THR HG21 H 1 0.524 0.015 . 1 . . . . 1 T HG21 . 15408 1 13 . 1 1 2 2 THR HG22 H 1 0.524 0.015 . 1 . . . . 1 T HG21 . 15408 1 14 . 1 1 2 2 THR HG23 H 1 0.524 0.015 . 1 . . . . 1 T HG21 . 15408 1 15 . 1 1 2 2 THR C C 13 171.977 0.15 . 1 . . . . 1 T C . 15408 1 16 . 1 1 2 2 THR CA C 13 62.279 0.15 . 1 . . . . 1 T CA . 15408 1 17 . 1 1 2 2 THR CB C 13 71.540 0.15 . 1 . . . . 1 T CB . 15408 1 18 . 1 1 2 2 THR CG2 C 13 21.407 0.15 . 1 . . . . 1 T CG2 . 15408 1 19 . 1 1 2 2 THR N N 15 120.545 0.05 . 1 . . . . 1 T N . 15408 1 20 . 1 1 3 3 THR H H 1 8.327 0.015 . 1 . . . . 2 T HN . 15408 1 21 . 1 1 3 3 THR HA H 1 4.734 0.015 . 1 . . . . 2 T HA . 15408 1 22 . 1 1 3 3 THR HB H 1 3.880 0.015 . 1 . . . . 2 T HB . 15408 1 23 . 1 1 3 3 THR HG21 H 1 1.143 0.015 . 1 . . . . 2 T HG21 . 15408 1 24 . 1 1 3 3 THR HG22 H 1 1.143 0.015 . 1 . . . . 2 T HG21 . 15408 1 25 . 1 1 3 3 THR HG23 H 1 1.143 0.015 . 1 . . . . 2 T HG21 . 15408 1 26 . 1 1 3 3 THR CA C 13 63.247 0.15 . 1 . . . . 2 T CA . 15408 1 27 . 1 1 3 3 THR CB C 13 68.997 0.15 . 1 . . . . 2 T CB . 15408 1 28 . 1 1 3 3 THR CG2 C 13 21.757 0.15 . 1 . . . . 2 T CG2 . 15408 1 29 . 1 1 3 3 THR N N 15 121.947 0.05 . 1 . . . . 2 T N . 15408 1 30 . 1 1 4 4 PHE H H 1 9.412 0.015 . 1 . . . . 3 F HN . 15408 1 31 . 1 1 4 4 PHE HA H 1 5.251 0.015 . 1 . . . . 3 F HA . 15408 1 32 . 1 1 4 4 PHE HB2 H 1 2.849 0.015 . 2 . . . . 3 F HB1 . 15408 1 33 . 1 1 4 4 PHE HB3 H 1 3.300 0.015 . 2 . . . . 3 F HB2 . 15408 1 34 . 1 1 4 4 PHE HD1 H 1 7.262 0.015 . 1 . . . . 3 F HD1 . 15408 1 35 . 1 1 4 4 PHE HE1 H 1 7.326 0.015 . 1 . . . . 3 F HE1 . 15408 1 36 . 1 1 4 4 PHE HZ H 1 7.085 0.015 . 1 . . . . 3 F HZ . 15408 1 37 . 1 1 4 4 PHE C C 13 174.229 0.15 . 1 . . . . 3 F C . 15408 1 38 . 1 1 4 4 PHE CA C 13 57.125 0.15 . 1 . . . . 3 F CA . 15408 1 39 . 1 1 4 4 PHE CB C 13 42.855 0.15 . 1 . . . . 3 F CB . 15408 1 40 . 1 1 4 4 PHE CD1 C 13 133.157 0.15 . 1 . . . . 3 F CD1 . 15408 1 41 . 1 1 4 4 PHE CE1 C 13 131.029 0.15 . 1 . . . . 3 F CE1 . 15408 1 42 . 1 1 4 4 PHE CZ C 13 128.390 0.15 . 1 . . . . 3 F CZ . 15408 1 43 . 1 1 4 4 PHE N N 15 127.557 0.05 . 1 . . . . 3 F N . 15408 1 44 . 1 1 5 5 LYS H H 1 8.795 0.015 . 1 . . . . 4 K HN . 15408 1 45 . 1 1 5 5 LYS HA H 1 5.158 0.015 . 1 . . . . 4 K HA . 15408 1 46 . 1 1 5 5 LYS HB2 H 1 1.861 0.015 . 2 . . . . 4 K HB1 . 15408 1 47 . 1 1 5 5 LYS HB3 H 1 2.075 0.015 . 2 . . . . 4 K HB2 . 15408 1 48 . 1 1 5 5 LYS HD2 H 1 1.618 0.015 . 2 . . . . 4 K HD1 . 15408 1 49 . 1 1 5 5 LYS HE2 H 1 2.838 0.015 . 2 . . . . 4 K HE1 . 15408 1 50 . 1 1 5 5 LYS HE3 H 1 2.866 0.015 . 2 . . . . 4 K HE2 . 15408 1 51 . 1 1 5 5 LYS HG2 H 1 1.383 0.015 . 2 . . . . 4 K HG1 . 15408 1 52 . 1 1 5 5 LYS HG3 H 1 1.459 0.015 . 2 . . . . 4 K HG2 . 15408 1 53 . 1 1 5 5 LYS C C 13 173.297 0.15 . 1 . . . . 4 K C . 15408 1 54 . 1 1 5 5 LYS CA C 13 54.948 0.15 . 1 . . . . 4 K CA . 15408 1 55 . 1 1 5 5 LYS CB C 13 35.595 0.15 . 1 . . . . 4 K CB . 15408 1 56 . 1 1 5 5 LYS CD C 13 29.006 0.15 . 1 . . . . 4 K CD . 15408 1 57 . 1 1 5 5 LYS CE C 13 41.988 0.15 . 1 . . . . 4 K CE . 15408 1 58 . 1 1 5 5 LYS CG C 13 25.723 0.15 . 1 . . . . 4 K CG . 15408 1 59 . 1 1 5 5 LYS N N 15 121.877 0.05 . 1 . . . . 4 K N . 15408 1 60 . 1 1 6 6 LEU H H 1 8.900 0.015 . 1 . . . . 5 L HN . 15408 1 61 . 1 1 6 6 LEU HA H 1 5.600 0.015 . 1 . . . . 5 L HA . 15408 1 62 . 1 1 6 6 LEU HB2 H 1 1.444 0.015 . 2 . . . . 5 L HB1 . 15408 1 63 . 1 1 6 6 LEU HB3 H 1 1.699 0.015 . 2 . . . . 5 L HB2 . 15408 1 64 . 1 1 6 6 LEU HD11 H 1 0.653 0.015 . 4 . . . . 5 L HD11 . 15408 1 65 . 1 1 6 6 LEU HD12 H 1 0.653 0.015 . 4 . . . . 5 L HD11 . 15408 1 66 . 1 1 6 6 LEU HD13 H 1 0.653 0.015 . 4 . . . . 5 L HD11 . 15408 1 67 . 1 1 6 6 LEU HD21 H 1 0.789 0.015 . 4 . . . . 5 L HD21 . 15408 1 68 . 1 1 6 6 LEU HD22 H 1 0.789 0.015 . 4 . . . . 5 L HD21 . 15408 1 69 . 1 1 6 6 LEU HD23 H 1 0.789 0.015 . 4 . . . . 5 L HD21 . 15408 1 70 . 1 1 6 6 LEU HG H 1 1.225 0.015 . 1 . . . . 5 L HG . 15408 1 71 . 1 1 6 6 LEU CA C 13 52.967 0.15 . 1 . . . . 5 L CA . 15408 1 72 . 1 1 6 6 LEU CB C 13 46.462 0.15 . 1 . . . . 5 L CB . 15408 1 73 . 1 1 6 6 LEU CD1 C 13 25.053 0.15 . 2 . . . . 5 L CD1 . 15408 1 74 . 1 1 6 6 LEU CD2 C 13 25.038 0.15 . 2 . . . . 5 L CD2 . 15408 1 75 . 1 1 6 6 LEU CG C 13 27.711 0.15 . 1 . . . . 5 L CG . 15408 1 76 . 1 1 6 6 LEU N N 15 125.153 0.05 . 1 . . . . 5 L N . 15408 1 77 . 1 1 7 7 ILE H H 1 9.412 0.015 . 1 . . . . 6 I HN . 15408 1 78 . 1 1 7 7 ILE HA H 1 4.358 0.015 . 1 . . . . 6 I HA . 15408 1 79 . 1 1 7 7 ILE HB H 1 2.055 0.015 . 1 . . . . 6 I HB . 15408 1 80 . 1 1 7 7 ILE HD11 H 1 0.804 0.015 . 1 . . . . 6 I HD11 . 15408 1 81 . 1 1 7 7 ILE HD12 H 1 0.804 0.015 . 1 . . . . 6 I HD11 . 15408 1 82 . 1 1 7 7 ILE HD13 H 1 0.804 0.015 . 1 . . . . 6 I HD11 . 15408 1 83 . 1 1 7 7 ILE HG12 H 1 1.120 0.015 . 9 . . . . 6 I HG11 . 15408 1 84 . 1 1 7 7 ILE HG13 H 1 1.482 0.015 . 9 . . . . 6 I HG12 . 15408 1 85 . 1 1 7 7 ILE HG21 H 1 0.860 0.015 . 1 . . . . 6 I HG21 . 15408 1 86 . 1 1 7 7 ILE HG22 H 1 0.860 0.015 . 1 . . . . 6 I HG21 . 15408 1 87 . 1 1 7 7 ILE HG23 H 1 0.860 0.015 . 1 . . . . 6 I HG21 . 15408 1 88 . 1 1 7 7 ILE C C 13 174.539 0.15 . 1 . . . . 6 I C . 15408 1 89 . 1 1 7 7 ILE CA C 13 60.795 0.15 . 1 . . . . 6 I CA . 15408 1 90 . 1 1 7 7 ILE CB C 13 38.341 0.15 . 1 . . . . 6 I CB . 15408 1 91 . 1 1 7 7 ILE CD1 C 13 12.984 0.15 . 1 . . . . 6 I CD1 . 15408 1 92 . 1 1 7 7 ILE CG1 C 13 27.625 0.15 . 2 . . . . 6 I CG1 . 15408 1 93 . 1 1 7 7 ILE CG2 C 13 17.185 0.15 . 2 . . . . 6 I CG2 . 15408 1 94 . 1 1 7 7 ILE N N 15 127.569 0.05 . 1 . . . . 6 I N . 15408 1 95 . 1 1 8 8 ILE H H 1 8.843 0.015 . 1 . . . . 7 I HN . 15408 1 96 . 1 1 8 8 ILE HA H 1 4.143 0.015 . 1 . . . . 7 I HA . 15408 1 97 . 1 1 8 8 ILE HB H 1 1.585 0.015 . 1 . . . . 7 I HB . 15408 1 98 . 1 1 8 8 ILE HD11 H 1 0.772 0.015 . 1 . . . . 7 I HD11 . 15408 1 99 . 1 1 8 8 ILE HD12 H 1 0.772 0.015 . 1 . . . . 7 I HD11 . 15408 1 100 . 1 1 8 8 ILE HD13 H 1 0.772 0.015 . 1 . . . . 7 I HD11 . 15408 1 101 . 1 1 8 8 ILE HG12 H 1 0.679 0.015 . 9 . . . . 7 I HG11 . 15408 1 102 . 1 1 8 8 ILE HG13 H 1 1.410 0.015 . 9 . . . . 7 I HG12 . 15408 1 103 . 1 1 8 8 ILE HG21 H 1 0.703 0.015 . 1 . . . . 7 I HG21 . 15408 1 104 . 1 1 8 8 ILE HG22 H 1 0.703 0.015 . 1 . . . . 7 I HG21 . 15408 1 105 . 1 1 8 8 ILE HG23 H 1 0.703 0.015 . 1 . . . . 7 I HG21 . 15408 1 106 . 1 1 8 8 ILE C C 13 174.927 0.15 . 1 . . . . 7 I C . 15408 1 107 . 1 1 8 8 ILE CA C 13 60.980 0.15 . 1 . . . . 7 I CA . 15408 1 108 . 1 1 8 8 ILE CB C 13 39.285 0.15 . 1 . . . . 7 I CB . 15408 1 109 . 1 1 8 8 ILE CD1 C 13 14.890 0.15 . 1 . . . . 7 I CD1 . 15408 1 110 . 1 1 8 8 ILE CG1 C 13 28.123 0.15 . 2 . . . . 7 I CG1 . 15408 1 111 . 1 1 8 8 ILE CG2 C 13 18.316 0.15 . 2 . . . . 7 I CG2 . 15408 1 112 . 1 1 8 8 ILE N N 15 126.401 0.05 . 1 . . . . 7 I N . 15408 1 113 . 1 1 9 9 ASN H H 1 9.097 0.015 . 1 . . . . 8 N HN . 15408 1 114 . 1 1 9 9 ASN HA H 1 5.347 0.015 . 1 . . . . 8 N HA . 15408 1 115 . 1 1 9 9 ASN HB2 H 1 2.581 0.015 . 2 . . . . 8 N HB1 . 15408 1 116 . 1 1 9 9 ASN HB3 H 1 3.032 0.015 . 2 . . . . 8 N HB2 . 15408 1 117 . 1 1 9 9 ASN HD21 H 1 6.842 0.015 . 2 . . . . 8 N HD21 . 15408 1 118 . 1 1 9 9 ASN HD22 H 1 7.216 0.015 . 2 . . . . 8 N HD22 . 15408 1 119 . 1 1 9 9 ASN C C 13 175.782 0.15 . 1 . . . . 8 N C . 15408 1 120 . 1 1 9 9 ASN CA C 13 50.970 0.15 . 1 . . . . 8 N CA . 15408 1 121 . 1 1 9 9 ASN CB C 13 37.783 0.15 . 1 . . . . 8 N CB . 15408 1 122 . 1 1 9 9 ASN N N 15 129.326 0.05 . 1 . . . . 8 N N . 15408 1 123 . 1 1 9 9 ASN ND2 N 15 111.333 0.05 . 1 . . . . 8 N ND2 . 15408 1 124 . 1 1 10 10 GLY H H 1 7.913 0.015 . 1 . . . . 9 G HN . 15408 1 125 . 1 1 10 10 GLY HA2 H 1 4.099 0.015 . 2 . . . . 9 G HA1 . 15408 1 126 . 1 1 10 10 GLY HA3 H 1 4.506 0.015 . 2 . . . . 9 G HA2 . 15408 1 127 . 1 1 10 10 GLY C C 13 173.608 0.15 . 1 . . . . 9 G C . 15408 1 128 . 1 1 10 10 GLY CA C 13 44.584 0.15 . 1 . . . . 9 G CA . 15408 1 129 . 1 1 10 10 GLY N N 15 110.389 0.05 . 1 . . . . 9 G N . 15408 1 130 . 1 1 11 11 LYS H H 1 9.449 0.015 . 1 . . . . 10 K HN . 15408 1 131 . 1 1 11 11 LYS HA H 1 4.085 0.015 . 1 . . . . 10 K HA . 15408 1 132 . 1 1 11 11 LYS HB2 H 1 1.819 0.015 . 2 . . . . 10 K HB1 . 15408 1 133 . 1 1 11 11 LYS HD2 H 1 1.681 0.015 . 2 . . . . 10 K HD1 . 15408 1 134 . 1 1 11 11 LYS HE2 H 1 2.980 0.015 . 2 . . . . 10 K HE1 . 15408 1 135 . 1 1 11 11 LYS HG2 H 1 1.464 0.015 . 2 . . . . 10 K HG1 . 15408 1 136 . 1 1 11 11 LYS C C 13 179.042 0.15 . 1 . . . . 10 K C . 15408 1 137 . 1 1 11 11 LYS CA C 13 59.164 0.15 . 1 . . . . 10 K CA . 15408 1 138 . 1 1 11 11 LYS CB C 13 32.598 0.15 . 1 . . . . 10 K CB . 15408 1 139 . 1 1 11 11 LYS CD C 13 28.978 0.15 . 1 . . . . 10 K CD . 15408 1 140 . 1 1 11 11 LYS CE C 13 42.160 0.15 . 1 . . . . 10 K CE . 15408 1 141 . 1 1 11 11 LYS CG C 13 25.611 0.15 . 1 . . . . 10 K CG . 15408 1 142 . 1 1 11 11 LYS N N 15 120.938 0.05 . 1 . . . . 10 K N . 15408 1 143 . 1 1 12 12 THR H H 1 8.893 0.015 . 1 . . . . 11 T HN . 15408 1 144 . 1 1 12 12 THR HA H 1 4.372 0.015 . 1 . . . . 11 T HA . 15408 1 145 . 1 1 12 12 THR HB H 1 4.198 0.015 . 1 . . . . 11 T HB . 15408 1 146 . 1 1 12 12 THR HG21 H 1 1.171 0.015 . 1 . . . . 11 T HG21 . 15408 1 147 . 1 1 12 12 THR HG22 H 1 1.171 0.015 . 1 . . . . 11 T HG21 . 15408 1 148 . 1 1 12 12 THR HG23 H 1 1.171 0.015 . 1 . . . . 11 T HG21 . 15408 1 149 . 1 1 12 12 THR C C 13 173.841 0.15 . 1 . . . . 11 T C . 15408 1 150 . 1 1 12 12 THR CA C 13 62.078 0.15 . 1 . . . . 11 T CA . 15408 1 151 . 1 1 12 12 THR CB C 13 69.889 0.15 . 1 . . . . 11 T CB . 15408 1 152 . 1 1 12 12 THR CG2 C 13 21.884 0.15 . 1 . . . . 11 T CG2 . 15408 1 153 . 1 1 12 12 THR N N 15 109.149 0.05 . 1 . . . . 11 T N . 15408 1 154 . 1 1 13 13 LEU H H 1 7.591 0.015 . 1 . . . . 12 L HN . 15408 1 155 . 1 1 13 13 LEU HA H 1 4.445 0.015 . 1 . . . . 12 L HA . 15408 1 156 . 1 1 13 13 LEU HB2 H 1 1.423 0.015 . 2 . . . . 12 L HB1 . 15408 1 157 . 1 1 13 13 LEU HB3 H 1 1.638 0.015 . 2 . . . . 12 L HB2 . 15408 1 158 . 1 1 13 13 LEU HD11 H 1 0.882 0.015 . 4 . . . . 12 L HD11 . 15408 1 159 . 1 1 13 13 LEU HD12 H 1 0.882 0.015 . 4 . . . . 12 L HD11 . 15408 1 160 . 1 1 13 13 LEU HD13 H 1 0.882 0.015 . 4 . . . . 12 L HD11 . 15408 1 161 . 1 1 13 13 LEU HD21 H 1 0.789 0.015 . 4 . . . . 12 L HD21 . 15408 1 162 . 1 1 13 13 LEU HD22 H 1 0.789 0.015 . 4 . . . . 12 L HD21 . 15408 1 163 . 1 1 13 13 LEU HD23 H 1 0.789 0.015 . 4 . . . . 12 L HD21 . 15408 1 164 . 1 1 13 13 LEU HG H 1 1.383 0.015 . 1 . . . . 12 L HG . 15408 1 165 . 1 1 13 13 LEU C C 13 173.530 0.15 . 1 . . . . 12 L C . 15408 1 166 . 1 1 13 13 LEU CA C 13 55.147 0.15 . 1 . . . . 12 L CA . 15408 1 167 . 1 1 13 13 LEU CB C 13 43.474 0.15 . 1 . . . . 12 L CB . 15408 1 168 . 1 1 13 13 LEU CD1 C 13 23.861 0.15 . 2 . . . . 12 L CD1 . 15408 1 169 . 1 1 13 13 LEU CD2 C 13 24.909 0.15 . 2 . . . . 12 L CD2 . 15408 1 170 . 1 1 13 13 LEU CG C 13 27.405 0.15 . 1 . . . . 12 L CG . 15408 1 171 . 1 1 13 13 LEU N N 15 125.676 0.05 . 1 . . . . 12 L N . 15408 1 172 . 1 1 14 14 LYS H H 1 8.123 0.015 . 1 . . . . 13 K HN . 15408 1 173 . 1 1 14 14 LYS HA H 1 5.159 0.015 . 1 . . . . 13 K HA . 15408 1 174 . 1 1 14 14 LYS HB2 H 1 1.752 0.015 . 2 . . . . 13 K HB1 . 15408 1 175 . 1 1 14 14 LYS HB3 H 1 1.915 0.015 . 2 . . . . 13 K HB2 . 15408 1 176 . 1 1 14 14 LYS HE2 H 1 2.951 0.015 . 2 . . . . 13 K HE1 . 15408 1 177 . 1 1 14 14 LYS HE3 H 1 3.051 0.015 . 2 . . . . 13 K HE2 . 15408 1 178 . 1 1 14 14 LYS C C 13 176.403 0.15 . 1 . . . . 13 K C . 15408 1 179 . 1 1 14 14 LYS CA C 13 53.883 0.15 . 1 . . . . 13 K CA . 15408 1 180 . 1 1 14 14 LYS CB C 13 34.921 0.15 . 1 . . . . 13 K CB . 15408 1 181 . 1 1 14 14 LYS CD C 13 29.338 0.15 . 1 . . . . 13 K CD . 15408 1 182 . 1 1 14 14 LYS CE C 13 42.830 0.15 . 1 . . . . 13 K CE . 15408 1 183 . 1 1 14 14 LYS CG C 13 24.990 0.15 . 1 . . . . 13 K CG . 15408 1 184 . 1 1 14 14 LYS N N 15 123.413 0.05 . 1 . . . . 13 K N . 15408 1 185 . 1 1 15 15 GLY H H 1 8.397 0.015 . 1 . . . . 14 G HN . 15408 1 186 . 1 1 15 15 GLY HA2 H 1 4.197 0.015 . 2 . . . . 14 G HA1 . 15408 1 187 . 1 1 15 15 GLY HA3 H 1 4.251 0.015 . 2 . . . . 14 G HA2 . 15408 1 188 . 1 1 15 15 GLY CA C 13 45.258 0.15 . 1 . . . . 14 G CA . 15408 1 189 . 1 1 15 15 GLY N N 15 109.449 0.05 . 1 . . . . 14 G N . 15408 1 190 . 1 1 16 16 GLU H H 1 8.460 0.015 . 1 . . . . 15 E HN . 15408 1 191 . 1 1 16 16 GLU HA H 1 5.602 0.015 . 1 . . . . 15 E HA . 15408 1 192 . 1 1 16 16 GLU HB2 H 1 1.969 0.015 . 2 . . . . 15 E HB1 . 15408 1 193 . 1 1 16 16 GLU HB3 H 1 2.102 0.015 . 2 . . . . 15 E HB2 . 15408 1 194 . 1 1 16 16 GLU HG2 H 1 2.132 0.015 . 2 . . . . 15 E HG1 . 15408 1 195 . 1 1 16 16 GLU HG3 H 1 2.181 0.015 . 2 . . . . 15 E HG2 . 15408 1 196 . 1 1 16 16 GLU C C 13 175.160 0.15 . 1 . . . . 15 E C . 15408 1 197 . 1 1 16 16 GLU CA C 13 54.834 0.15 . 1 . . . . 15 E CA . 15408 1 198 . 1 1 16 16 GLU CB C 13 33.722 0.15 . 1 . . . . 15 E CB . 15408 1 199 . 1 1 16 16 GLU CG C 13 35.742 0.15 . 1 . . . . 15 E CG . 15408 1 200 . 1 1 16 16 GLU N N 15 118.842 0.05 . 1 . . . . 15 E N . 15408 1 201 . 1 1 17 17 THR H H 1 8.965 0.015 . 1 . . . . 16 T HN . 15408 1 202 . 1 1 17 17 THR HA H 1 4.734 0.015 . 1 . . . . 16 T HA . 15408 1 203 . 1 1 17 17 THR HB H 1 3.861 0.015 . 1 . . . . 16 T HB . 15408 1 204 . 1 1 17 17 THR HG21 H 1 0.540 0.015 . 1 . . . . 16 T HG21 . 15408 1 205 . 1 1 17 17 THR HG22 H 1 0.540 0.015 . 1 . . . . 16 T HG21 . 15408 1 206 . 1 1 17 17 THR HG23 H 1 0.540 0.015 . 1 . . . . 16 T HG21 . 15408 1 207 . 1 1 17 17 THR C C 13 171.900 0.15 . 1 . . . . 16 T C . 15408 1 208 . 1 1 17 17 THR CA C 13 60.752 0.15 . 1 . . . . 16 T CA . 15408 1 209 . 1 1 17 17 THR CB C 13 69.655 0.15 . 1 . . . . 16 T CB . 15408 1 210 . 1 1 17 17 THR CG2 C 13 18.979 0.15 . 1 . . . . 16 T CG2 . 15408 1 211 . 1 1 17 17 THR N N 15 116.338 0.05 . 1 . . . . 16 T N . 15408 1 212 . 1 1 18 18 THR H H 1 7.937 0.015 . 1 . . . . 17 T HN . 15408 1 213 . 1 1 18 18 THR HA H 1 5.611 0.015 . 1 . . . . 17 T HA . 15408 1 214 . 1 1 18 18 THR HB H 1 4.179 0.015 . 1 . . . . 17 T HB . 15408 1 215 . 1 1 18 18 THR HG21 H 1 1.132 0.015 . 1 . . . . 17 T HG21 . 15408 1 216 . 1 1 18 18 THR HG22 H 1 1.132 0.015 . 1 . . . . 17 T HG21 . 15408 1 217 . 1 1 18 18 THR HG23 H 1 1.132 0.015 . 1 . . . . 17 T HG21 . 15408 1 218 . 1 1 18 18 THR C C 13 173.841 0.15 . 1 . . . . 17 T C . 15408 1 219 . 1 1 18 18 THR CA C 13 59.563 0.15 . 1 . . . . 17 T CA . 15408 1 220 . 1 1 18 18 THR CB C 13 73.085 0.15 . 1 . . . . 17 T CB . 15408 1 221 . 1 1 18 18 THR CG2 C 13 21.552 0.15 . 1 . . . . 17 T CG2 . 15408 1 222 . 1 1 18 18 THR N N 15 112.141 0.05 . 1 . . . . 17 T N . 15408 1 223 . 1 1 19 19 THR H H 1 9.077 0.015 . 1 . . . . 18 T HN . 15408 1 224 . 1 1 19 19 THR HA H 1 4.685 0.015 . 1 . . . . 18 T HA . 15408 1 225 . 1 1 19 19 THR HB H 1 3.927 0.015 . 1 . . . . 18 T HB . 15408 1 226 . 1 1 19 19 THR HG21 H 1 1.078 0.015 . 1 . . . . 18 T HG21 . 15408 1 227 . 1 1 19 19 THR HG22 H 1 1.078 0.015 . 1 . . . . 18 T HG21 . 15408 1 228 . 1 1 19 19 THR HG23 H 1 1.078 0.015 . 1 . . . . 18 T HG21 . 15408 1 229 . 1 1 19 19 THR C C 13 171.046 0.15 . 1 . . . . 18 T C . 15408 1 230 . 1 1 19 19 THR CA C 13 61.787 0.15 . 1 . . . . 18 T CA . 15408 1 231 . 1 1 19 19 THR CB C 13 70.244 0.15 . 1 . . . . 18 T CB . 15408 1 232 . 1 1 19 19 THR CG2 C 13 19.080 0.15 . 1 . . . . 18 T CG2 . 15408 1 233 . 1 1 19 19 THR N N 15 115.037 0.05 . 1 . . . . 18 T N . 15408 1 234 . 1 1 20 20 GLU H H 1 8.185 0.015 . 1 . . . . 19 E HN . 15408 1 235 . 1 1 20 20 GLU HA H 1 5.518 0.015 . 1 . . . . 19 E HA . 15408 1 236 . 1 1 20 20 GLU HB2 H 1 1.924 0.015 . 2 . . . . 19 E HB1 . 15408 1 237 . 1 1 20 20 GLU HG2 H 1 2.206 0.015 . 2 . . . . 19 E HG1 . 15408 1 238 . 1 1 20 20 GLU C C 13 176.403 0.15 . 1 . . . . 19 E C . 15408 1 239 . 1 1 20 20 GLU CA C 13 54.857 0.15 . 1 . . . . 19 E CA . 15408 1 240 . 1 1 20 20 GLU CB C 13 31.567 0.15 . 1 . . . . 19 E CB . 15408 1 241 . 1 1 20 20 GLU CG C 13 36.521 0.15 . 1 . . . . 19 E CG . 15408 1 242 . 1 1 20 20 GLU N N 15 125.533 0.05 . 1 . . . . 19 E N . 15408 1 243 . 1 1 21 21 ALA H H 1 9.380 0.015 . 1 . . . . 20 A HN . 15408 1 244 . 1 1 21 21 ALA HA H 1 4.967 0.015 . 1 . . . . 20 A HA . 15408 1 245 . 1 1 21 21 ALA HB1 H 1 1.546 0.015 . 1 . . . . 20 A HB1 . 15408 1 246 . 1 1 21 21 ALA HB2 H 1 1.546 0.015 . 1 . . . . 20 A HB1 . 15408 1 247 . 1 1 21 21 ALA HB3 H 1 1.546 0.015 . 1 . . . . 20 A HB1 . 15408 1 248 . 1 1 21 21 ALA C C 13 177.567 0.15 . 1 . . . . 20 A C . 15408 1 249 . 1 1 21 21 ALA CA C 13 51.399 0.15 . 1 . . . . 20 A CA . 15408 1 250 . 1 1 21 21 ALA CB C 13 24.091 0.15 . 1 . . . . 20 A CB . 15408 1 251 . 1 1 21 21 ALA N N 15 125.119 0.05 . 1 . . . . 20 A N . 15408 1 252 . 1 1 22 22 VAL H H 1 8.915 0.015 . 1 . . . . 21 V HN . 15408 1 253 . 1 1 22 22 VAL HA H 1 4.109 0.015 . 1 . . . . 21 V HA . 15408 1 254 . 1 1 22 22 VAL HB H 1 2.202 0.015 . 1 . . . . 21 V HB . 15408 1 255 . 1 1 22 22 VAL HG11 H 1 1.043 0.015 . 4 . . . . 21 V HG11 . 15408 1 256 . 1 1 22 22 VAL HG12 H 1 1.043 0.015 . 4 . . . . 21 V HG11 . 15408 1 257 . 1 1 22 22 VAL HG13 H 1 1.043 0.015 . 4 . . . . 21 V HG11 . 15408 1 258 . 1 1 22 22 VAL HG21 H 1 1.075 0.015 . 4 . . . . 21 V HG21 . 15408 1 259 . 1 1 22 22 VAL HG22 H 1 1.075 0.015 . 4 . . . . 21 V HG21 . 15408 1 260 . 1 1 22 22 VAL HG23 H 1 1.075 0.015 . 4 . . . . 21 V HG21 . 15408 1 261 . 1 1 22 22 VAL C C 13 175.626 0.15 . 1 . . . . 21 V C . 15408 1 262 . 1 1 22 22 VAL CA C 13 64.405 0.15 . 1 . . . . 21 V CA . 15408 1 263 . 1 1 22 22 VAL CB C 13 32.242 0.15 . 1 . . . . 21 V CB . 15408 1 264 . 1 1 22 22 VAL CG1 C 13 21.263 0.15 . 2 . . . . 21 V CG1 . 15408 1 265 . 1 1 22 22 VAL CG2 C 13 20.691 0.15 . 2 . . . . 21 V CG2 . 15408 1 266 . 1 1 22 22 VAL N N 15 116.510 0.05 . 1 . . . . 21 V N . 15408 1 267 . 1 1 23 23 ASP H H 1 7.448 0.015 . 1 . . . . 22 D HN . 15408 1 268 . 1 1 23 23 ASP HA H 1 4.832 0.015 . 1 . . . . 22 D HA . 15408 1 269 . 1 1 23 23 ASP HB2 H 1 3.022 0.015 . 2 . . . . 22 D HB1 . 15408 1 270 . 1 1 23 23 ASP HB3 H 1 3.099 0.015 . 2 . . . . 22 D HB2 . 15408 1 271 . 1 1 23 23 ASP C C 13 174.306 0.15 . 1 . . . . 22 D C . 15408 1 272 . 1 1 23 23 ASP CA C 13 52.469 0.15 . 1 . . . . 22 D CA . 15408 1 273 . 1 1 23 23 ASP CB C 13 42.672 0.15 . 1 . . . . 22 D CB . 15408 1 274 . 1 1 23 23 ASP N N 15 115.019 0.05 . 1 . . . . 22 D N . 15408 1 275 . 1 1 24 24 ALA H H 1 8.710 0.015 . 1 . . . . 23 A HN . 15408 1 276 . 1 1 24 24 ALA HA H 1 3.316 0.015 . 1 . . . . 23 A HA . 15408 1 277 . 1 1 24 24 ALA HB1 H 1 1.298 0.015 . 1 . . . . 23 A HB1 . 15408 1 278 . 1 1 24 24 ALA HB2 H 1 1.298 0.015 . 1 . . . . 23 A HB1 . 15408 1 279 . 1 1 24 24 ALA HB3 H 1 1.298 0.015 . 1 . . . . 23 A HB1 . 15408 1 280 . 1 1 24 24 ALA C C 13 179.198 0.15 . 1 . . . . 23 A C . 15408 1 281 . 1 1 24 24 ALA CA C 13 54.810 0.15 . 1 . . . . 23 A CA . 15408 1 282 . 1 1 24 24 ALA CB C 13 17.829 0.15 . 1 . . . . 23 A CB . 15408 1 283 . 1 1 24 24 ALA N N 15 122.037 0.05 . 1 . . . . 23 A N . 15408 1 284 . 1 1 25 25 ALA H H 1 8.267 0.015 . 1 . . . . 24 A HN . 15408 1 285 . 1 1 25 25 ALA HA H 1 4.051 0.015 . 1 . . . . 24 A HA . 15408 1 286 . 1 1 25 25 ALA HB1 H 1 1.349 0.015 . 1 . . . . 24 A HB1 . 15408 1 287 . 1 1 25 25 ALA HB2 H 1 1.349 0.015 . 1 . . . . 24 A HB1 . 15408 1 288 . 1 1 25 25 ALA HB3 H 1 1.349 0.015 . 1 . . . . 24 A HB1 . 15408 1 289 . 1 1 25 25 ALA C C 13 180.906 0.15 . 1 . . . . 24 A C . 15408 1 290 . 1 1 25 25 ALA CA C 13 55.057 0.15 . 1 . . . . 24 A CA . 15408 1 291 . 1 1 25 25 ALA CB C 13 18.018 0.15 . 1 . . . . 24 A CB . 15408 1 292 . 1 1 25 25 ALA N N 15 120.855 0.05 . 1 . . . . 24 A N . 15408 1 293 . 1 1 26 26 THR H H 1 8.256 0.015 . 1 . . . . 25 T HN . 15408 1 294 . 1 1 26 26 THR HA H 1 3.782 0.015 . 1 . . . . 25 T HA . 15408 1 295 . 1 1 26 26 THR HB H 1 4.098 0.015 . 1 . . . . 25 T HB . 15408 1 296 . 1 1 26 26 THR HG21 H 1 1.312 0.015 . 1 . . . . 25 T HG21 . 15408 1 297 . 1 1 26 26 THR HG22 H 1 1.312 0.015 . 1 . . . . 25 T HG21 . 15408 1 298 . 1 1 26 26 THR HG23 H 1 1.312 0.015 . 1 . . . . 25 T HG21 . 15408 1 299 . 1 1 26 26 THR C C 13 176.325 0.15 . 1 . . . . 25 T C . 15408 1 300 . 1 1 26 26 THR CA C 13 66.731 0.15 . 1 . . . . 25 T CA . 15408 1 301 . 1 1 26 26 THR CB C 13 68.174 0.15 . 1 . . . . 25 T CB . 15408 1 302 . 1 1 26 26 THR CG2 C 13 21.324 0.15 . 1 . . . . 25 T CG2 . 15408 1 303 . 1 1 26 26 THR N N 15 115.822 0.05 . 1 . . . . 25 T N . 15408 1 304 . 1 1 27 27 ALA H H 1 7.425 0.015 . 1 . . . . 26 A HN . 15408 1 305 . 1 1 27 27 ALA HA H 1 3.603 0.015 . 1 . . . . 26 A HA . 15408 1 306 . 1 1 27 27 ALA HB1 H 1 0.770 0.015 . 1 . . . . 26 A HB1 . 15408 1 307 . 1 1 27 27 ALA HB2 H 1 0.770 0.015 . 1 . . . . 26 A HB1 . 15408 1 308 . 1 1 27 27 ALA HB3 H 1 0.770 0.015 . 1 . . . . 26 A HB1 . 15408 1 309 . 1 1 27 27 ALA C C 13 178.111 0.15 . 1 . . . . 26 A C . 15408 1 310 . 1 1 27 27 ALA CA C 13 54.933 0.15 . 1 . . . . 26 A CA . 15408 1 311 . 1 1 27 27 ALA CB C 13 18.548 0.15 . 1 . . . . 26 A CB . 15408 1 312 . 1 1 27 27 ALA N N 15 123.208 0.05 . 1 . . . . 26 A N . 15408 1 313 . 1 1 28 28 GLU H H 1 8.364 0.015 . 1 . . . . 27 E HN . 15408 1 314 . 1 1 28 28 GLU HA H 1 2.455 0.015 . 1 . . . . 27 E HA . 15408 1 315 . 1 1 28 28 GLU HB2 H 1 1.708 0.015 . 2 . . . . 27 E HB1 . 15408 1 316 . 1 1 28 28 GLU HB3 H 1 1.785 0.015 . 2 . . . . 27 E HB2 . 15408 1 317 . 1 1 28 28 GLU C C 13 177.334 0.15 . 1 . . . . 27 E C . 15408 1 318 . 1 1 28 28 GLU CA C 13 59.399 0.15 . 1 . . . . 27 E CA . 15408 1 319 . 1 1 28 28 GLU CB C 13 29.154 0.15 . 1 . . . . 27 E CB . 15408 1 320 . 1 1 28 28 GLU CG C 13 35.139 0.15 . 1 . . . . 27 E CG . 15408 1 321 . 1 1 28 28 GLU N N 15 117.397 0.05 . 1 . . . . 27 E N . 15408 1 322 . 1 1 29 29 LYS H H 1 6.876 0.015 . 1 . . . . 28 K HN . 15408 1 323 . 1 1 29 29 LYS HA H 1 3.698 0.015 . 1 . . . . 28 K HA . 15408 1 324 . 1 1 29 29 LYS HB2 H 1 1.844 0.015 . 2 . . . . 28 K HB1 . 15408 1 325 . 1 1 29 29 LYS HD2 H 1 1.556 0.015 . 2 . . . . 28 K HD1 . 15408 1 326 . 1 1 29 29 LYS HD3 H 1 1.645 0.015 . 2 . . . . 28 K HD2 . 15408 1 327 . 1 1 29 29 LYS HE2 H 1 2.902 0.015 . 2 . . . . 28 K HE1 . 15408 1 328 . 1 1 29 29 LYS HG2 H 1 1.330 0.015 . 2 . . . . 28 K HG1 . 15408 1 329 . 1 1 29 29 LYS HG3 H 1 1.527 0.015 . 2 . . . . 28 K HG2 . 15408 1 330 . 1 1 29 29 LYS C C 13 179.741 0.15 . 1 . . . . 28 K C . 15408 1 331 . 1 1 29 29 LYS CA C 13 59.593 0.15 . 1 . . . . 28 K CA . 15408 1 332 . 1 1 29 29 LYS CB C 13 32.447 0.15 . 1 . . . . 28 K CB . 15408 1 333 . 1 1 29 29 LYS CD C 13 29.338 0.15 . 1 . . . . 28 K CD . 15408 1 334 . 1 1 29 29 LYS CE C 13 42.068 0.15 . 1 . . . . 28 K CE . 15408 1 335 . 1 1 29 29 LYS CG C 13 25.030 0.15 . 1 . . . . 28 K CG . 15408 1 336 . 1 1 29 29 LYS N N 15 115.724 0.05 . 1 . . . . 28 K N . 15408 1 337 . 1 1 30 30 VAL H H 1 7.396 0.015 . 1 . . . . 29 V HN . 15408 1 338 . 1 1 30 30 VAL HA H 1 3.701 0.015 . 1 . . . . 29 V HA . 15408 1 339 . 1 1 30 30 VAL HB H 1 2.086 0.015 . 1 . . . . 29 V HB . 15408 1 340 . 1 1 30 30 VAL HG11 H 1 1.068 0.015 . 4 . . . . 29 V HG11 . 15408 1 341 . 1 1 30 30 VAL HG12 H 1 1.068 0.015 . 4 . . . . 29 V HG12 . 15408 1 342 . 1 1 30 30 VAL HG13 H 1 1.068 0.015 . 4 . . . . 29 V HG12 . 15408 1 343 . 1 1 30 30 VAL HG21 H 1 1.063 0.015 . 4 . . . . 29 V HG21 . 15408 1 344 . 1 1 30 30 VAL HG22 H 1 1.063 0.015 . 4 . . . . 29 V HG21 . 15408 1 345 . 1 1 30 30 VAL HG23 H 1 1.063 0.015 . 4 . . . . 29 V HG21 . 15408 1 346 . 1 1 30 30 VAL C C 13 179.275 0.15 . 1 . . . . 29 V C . 15408 1 347 . 1 1 30 30 VAL CA C 13 65.964 0.15 . 1 . . . . 29 V CA . 15408 1 348 . 1 1 30 30 VAL CB C 13 32.438 0.15 . 1 . . . . 29 V CB . 15408 1 349 . 1 1 30 30 VAL CG1 C 13 20.764 0.15 . 2 . . . . 29 V CG1 . 15408 1 350 . 1 1 30 30 VAL CG2 C 13 22.038 0.15 . 2 . . . . 29 V CG2 . 15408 1 351 . 1 1 30 30 VAL N N 15 119.869 0.05 . 1 . . . . 29 V N . 15408 1 352 . 1 1 31 31 LEU H H 1 8.443 0.015 . 1 . . . . 30 L HN . 15408 1 353 . 1 1 31 31 LEU HA H 1 4.112 0.015 . 1 . . . . 30 L HA . 15408 1 354 . 1 1 31 31 LEU HB2 H 1 1.434 0.015 . 2 . . . . 30 L HB1 . 15408 1 355 . 1 1 31 31 LEU HB3 H 1 1.582 0.015 . 2 . . . . 30 L HB2 . 15408 1 356 . 1 1 31 31 LEU HD11 H 1 0.626 0.015 . 4 . . . . 30 L HD11 . 15408 1 357 . 1 1 31 31 LEU HD12 H 1 0.626 0.015 . 4 . . . . 30 L HD11 . 15408 1 358 . 1 1 31 31 LEU HD13 H 1 0.626 0.015 . 4 . . . . 30 L HD11 . 15408 1 359 . 1 1 31 31 LEU HD21 H 1 0.787 0.015 . 4 . . . . 30 L HD21 . 15408 1 360 . 1 1 31 31 LEU HD22 H 1 0.787 0.015 . 4 . . . . 30 L HD21 . 15408 1 361 . 1 1 31 31 LEU HD23 H 1 0.787 0.015 . 4 . . . . 30 L HD21 . 15408 1 362 . 1 1 31 31 LEU HG H 1 1.764 0.015 . 1 . . . . 30 L HG . 15408 1 363 . 1 1 31 31 LEU C C 13 178.887 0.15 . 1 . . . . 30 L C . 15408 1 364 . 1 1 31 31 LEU CA C 13 57.525 0.15 . 1 . . . . 30 L CA . 15408 1 365 . 1 1 31 31 LEU CB C 13 40.809 0.15 . 1 . . . . 30 L CB . 15408 1 366 . 1 1 31 31 LEU CD1 C 13 21.448 0.15 . 2 . . . . 30 L CD1 . 15408 1 367 . 1 1 31 31 LEU CD2 C 13 26.554 0.15 . 2 . . . . 30 L CD2 . 15408 1 368 . 1 1 31 31 LEU CG C 13 26.740 0.15 . 1 . . . . 30 L CG . 15408 1 369 . 1 1 31 31 LEU N N 15 121.737 0.05 . 1 . . . . 30 L N . 15408 1 370 . 1 1 32 32 LYS H H 1 8.695 0.015 . 1 . . . . 31 K HN . 15408 1 371 . 1 1 32 32 LYS HA H 1 3.986 0.015 . 1 . . . . 31 K HA . 15408 1 372 . 1 1 32 32 LYS HB2 H 1 1.491 0.015 . 2 . . . . 31 K HB1 . 15408 1 373 . 1 1 32 32 LYS HB3 H 1 1.589 0.015 . 2 . . . . 31 K HB2 . 15408 1 374 . 1 1 32 32 LYS HD2 H 1 1.043 0.015 . 2 . . . . 31 K HD1 . 15408 1 375 . 1 1 32 32 LYS HE2 H 1 1.835 0.015 . 2 . . . . 31 K HE1 . 15408 1 376 . 1 1 32 32 LYS HE3 H 1 1.932 0.015 . 2 . . . . 31 K HE2 . 15408 1 377 . 1 1 32 32 LYS HG2 H 1 0.623 0.015 . 2 . . . . 31 K HG1 . 15408 1 378 . 1 1 32 32 LYS HG3 H 1 0.850 0.015 . 2 . . . . 31 K HG2 . 15408 1 379 . 1 1 32 32 LYS C C 13 179.120 0.15 . 1 . . . . 31 K C . 15408 1 380 . 1 1 32 32 LYS CA C 13 59.609 0.15 . 1 . . . . 31 K CA . 15408 1 381 . 1 1 32 32 LYS CB C 13 31.830 0.15 . 1 . . . . 31 K CB . 15408 1 382 . 1 1 32 32 LYS CD C 13 28.903 0.15 . 1 . . . . 31 K CD . 15408 1 383 . 1 1 32 32 LYS CE C 13 41.273 0.15 . 1 . . . . 31 K CE . 15408 1 384 . 1 1 32 32 LYS CG C 13 25.738 0.15 . 1 . . . . 31 K CG . 15408 1 385 . 1 1 32 32 LYS N N 15 120.358 0.05 . 1 . . . . 31 K N . 15408 1 386 . 1 1 33 33 GLN H H 1 7.479 0.015 . 1 . . . . 32 Q HN . 15408 1 387 . 1 1 33 33 GLN HA H 1 3.960 0.015 . 1 . . . . 32 Q HA . 15408 1 388 . 1 1 33 33 GLN HB2 H 1 2.196 0.015 . 2 . . . . 32 Q HB1 . 15408 1 389 . 1 1 33 33 GLN HB3 H 1 2.196 0.015 . 2 . . . . 32 Q HB2 . 15408 1 390 . 1 1 33 33 GLN HE21 H 1 6.869 0.015 . 2 . . . . 32 Q HE21 . 15408 1 391 . 1 1 33 33 GLN HE22 H 1 7.905 0.015 . 2 . . . . 32 Q HE22 . 15408 1 392 . 1 1 33 33 GLN HG2 H 1 2.391 0.015 . 2 . . . . 32 Q HG1 . 15408 1 393 . 1 1 33 33 GLN HG3 H 1 2.444 0.015 . 2 . . . . 32 Q HG2 . 15408 1 394 . 1 1 33 33 GLN C C 13 177.179 0.15 . 1 . . . . 32 Q C . 15408 1 395 . 1 1 33 33 GLN CA C 13 58.704 0.15 . 1 . . . . 32 Q CA . 15408 1 396 . 1 1 33 33 GLN CB C 13 28.037 0.15 . 1 . . . . 32 Q CB . 15408 1 397 . 1 1 33 33 GLN CG C 13 33.497 0.15 . 1 . . . . 32 Q CG . 15408 1 398 . 1 1 33 33 GLN N N 15 119.507 0.05 . 1 . . . . 32 Q N . 15408 1 399 . 1 1 33 33 GLN NE2 N 15 115.133 0.05 . 1 . . . . 32 Q NE2 . 15408 1 400 . 1 1 34 34 TYR H H 1 7.756 0.015 . 1 . . . . 33 Y HN . 15408 1 401 . 1 1 34 34 TYR HA H 1 4.269 0.015 . 1 . . . . 33 Y HA . 15408 1 402 . 1 1 34 34 TYR HB2 H 1 3.171 0.015 . 2 . . . . 33 Y HB1 . 15408 1 403 . 1 1 34 34 TYR HB3 H 1 3.301 0.015 . 2 . . . . 33 Y HB2 . 15408 1 404 . 1 1 34 34 TYR HD1 H 1 6.960 0.015 . 1 . . . . 33 Y HD1 . 15408 1 405 . 1 1 34 34 TYR HE1 H 1 6.689 0.015 . 1 . . . . 33 Y HE1 . 15408 1 406 . 1 1 34 34 TYR C C 13 178.732 0.15 . 1 . . . . 33 Y C . 15408 1 407 . 1 1 34 34 TYR CA C 13 61.526 0.15 . 1 . . . . 33 Y CA . 15408 1 408 . 1 1 34 34 TYR CB C 13 38.064 0.15 . 1 . . . . 33 Y CB . 15408 1 409 . 1 1 34 34 TYR CD1 C 13 132.686 0.15 . 1 . . . . 33 Y CD1 . 15408 1 410 . 1 1 34 34 TYR CE1 C 13 118.032 0.15 . 1 . . . . 33 Y CE1 . 15408 1 411 . 1 1 34 34 TYR N N 15 120.097 0.05 . 1 . . . . 33 Y N . 15408 1 412 . 1 1 35 35 ILE H H 1 8.143 0.015 . 1 . . . . 34 I HN . 15408 1 413 . 1 1 35 35 ILE HA H 1 3.769 0.015 . 1 . . . . 34 I HA . 15408 1 414 . 1 1 35 35 ILE HB H 1 2.416 0.015 . 1 . . . . 34 I HB . 15408 1 415 . 1 1 35 35 ILE HD11 H 1 0.721 0.015 . 1 . . . . 34 I HD11 . 15408 1 416 . 1 1 35 35 ILE HD12 H 1 0.721 0.015 . 1 . . . . 34 I HD11 . 15408 1 417 . 1 1 35 35 ILE HD13 H 1 0.721 0.015 . 1 . . . . 34 I HD11 . 15408 1 418 . 1 1 35 35 ILE HG12 H 1 1.596 0.015 . 9 . . . . 34 I HG11 . 15408 1 419 . 1 1 35 35 ILE HG13 H 1 1.749 0.015 . 9 . . . . 34 I HG12 . 15408 1 420 . 1 1 35 35 ILE HG21 H 1 1.113 0.015 . 1 . . . . 34 I HG21 . 15408 1 421 . 1 1 35 35 ILE HG22 H 1 1.113 0.015 . 1 . . . . 34 I HG21 . 15408 1 422 . 1 1 35 35 ILE HG23 H 1 1.113 0.015 . 1 . . . . 34 I HG21 . 15408 1 423 . 1 1 35 35 ILE C C 13 178.033 0.15 . 1 . . . . 34 I C . 15408 1 424 . 1 1 35 35 ILE CA C 13 62.504 0.15 . 1 . . . . 34 I CA . 15408 1 425 . 1 1 35 35 ILE CB C 13 36.421 0.15 . 1 . . . . 34 I CB . 15408 1 426 . 1 1 35 35 ILE CD1 C 13 11.671 0.15 . 1 . . . . 34 I CD1 . 15408 1 427 . 1 1 35 35 ILE CG1 C 13 27.602 0.15 . 2 . . . . 34 I CG1 . 15408 1 428 . 1 1 35 35 ILE CG2 C 13 18.541 0.15 . 2 . . . . 34 I CG2 . 15408 1 429 . 1 1 35 35 ILE N N 15 119.578 0.05 . 1 . . . . 34 I N . 15408 1 430 . 1 1 36 36 ASN H H 1 8.399 0.015 . 1 . . . . 35 N HN . 15408 1 431 . 1 1 36 36 ASN HA H 1 4.554 0.015 . 1 . . . . 35 N HA . 15408 1 432 . 1 1 36 36 ASN HB2 H 1 2.866 0.015 . 2 . . . . 35 N HB1 . 15408 1 433 . 1 1 36 36 ASN HD21 H 1 6.925 0.015 . 2 . . . . 35 N HD21 . 15408 1 434 . 1 1 36 36 ASN HD22 H 1 7.566 0.015 . 2 . . . . 35 N HD22 . 15408 1 435 . 1 1 36 36 ASN C C 13 179.353 0.15 . 1 . . . . 35 N C . 15408 1 436 . 1 1 36 36 ASN CA C 13 56.561 0.15 . 1 . . . . 35 N CA . 15408 1 437 . 1 1 36 36 ASN CB C 13 38.664 0.15 . 1 . . . . 35 N CB . 15408 1 438 . 1 1 36 36 ASN N N 15 121.146 0.05 . 1 . . . . 35 N N . 15408 1 439 . 1 1 36 36 ASN ND2 N 15 111.580 0.05 . 1 . . . . 35 N ND2 . 15408 1 440 . 1 1 37 37 ASP H H 1 8.806 0.015 . 1 . . . . 36 D HN . 15408 1 441 . 1 1 37 37 ASP HA H 1 4.376 0.015 . 1 . . . . 36 D HA . 15408 1 442 . 1 1 37 37 ASP HB2 H 1 2.572 0.015 . 2 . . . . 36 D HB1 . 15408 1 443 . 1 1 37 37 ASP HB3 H 1 2.740 0.015 . 2 . . . . 36 D HB2 . 15408 1 444 . 1 1 37 37 ASP C C 13 177.257 0.15 . 1 . . . . 36 D C . 15408 1 445 . 1 1 37 37 ASP CA C 13 56.820 0.15 . 1 . . . . 36 D CA . 15408 1 446 . 1 1 37 37 ASP CB C 13 40.008 0.15 . 1 . . . . 36 D CB . 15408 1 447 . 1 1 37 37 ASP N N 15 121.306 0.05 . 1 . . . . 36 D N . 15408 1 448 . 1 1 38 38 ASN H H 1 7.352 0.015 . 1 . . . . 37 N HN . 15408 1 449 . 1 1 38 38 ASN HA H 1 4.606 0.015 . 1 . . . . 37 N HA . 15408 1 450 . 1 1 38 38 ASN HB2 H 1 2.206 0.015 . 2 . . . . 37 N HB1 . 15408 1 451 . 1 1 38 38 ASN HB3 H 1 2.651 0.015 . 2 . . . . 37 N HB2 . 15408 1 452 . 1 1 38 38 ASN HD21 H 1 6.305 0.015 . 2 . . . . 37 N HD21 . 15408 1 453 . 1 1 38 38 ASN HD22 H 1 6.696 0.015 . 2 . . . . 37 N HD22 . 15408 1 454 . 1 1 38 38 ASN C C 13 174.462 0.15 . 1 . . . . 37 N C . 15408 1 455 . 1 1 38 38 ASN CA C 13 53.976 0.15 . 1 . . . . 37 N CA . 15408 1 456 . 1 1 38 38 ASN CB C 13 40.203 0.15 . 1 . . . . 37 N CB . 15408 1 457 . 1 1 38 38 ASN N N 15 115.527 0.05 . 1 . . . . 37 N N . 15408 1 458 . 1 1 38 38 ASN ND2 N 15 114.157 0.05 . 1 . . . . 37 N ND2 . 15408 1 459 . 1 1 39 39 GLY H H 1 7.830 0.015 . 1 . . . . 38 G HN . 15408 1 460 . 1 1 39 39 GLY HA2 H 1 3.900 0.015 . 2 . . . . 38 G HA1 . 15408 1 461 . 1 1 39 39 GLY C C 13 174.229 0.15 . 1 . . . . 38 G C . 15408 1 462 . 1 1 39 39 GLY CA C 13 47.012 0.15 . 1 . . . . 38 G CA . 15408 1 463 . 1 1 39 39 GLY N N 15 108.280 0.05 . 1 . . . . 38 G N . 15408 1 464 . 1 1 40 40 ILE H H 1 7.411 0.015 . 1 . . . . 39 I HN . 15408 1 465 . 1 1 40 40 ILE HA H 1 4.232 0.015 . 1 . . . . 39 I HA . 15408 1 466 . 1 1 40 40 ILE HB H 1 1.644 0.015 . 1 . . . . 39 I HB . 15408 1 467 . 1 1 40 40 ILE HD11 H 1 0.742 0.015 . 1 . . . . 39 I HD11 . 15408 1 468 . 1 1 40 40 ILE HD12 H 1 0.742 0.015 . 1 . . . . 39 I HD11 . 15408 1 469 . 1 1 40 40 ILE HD13 H 1 0.742 0.015 . 1 . . . . 39 I HD11 . 15408 1 470 . 1 1 40 40 ILE HG12 H 1 1.029 0.015 . 9 . . . . 39 I HG11 . 15408 1 471 . 1 1 40 40 ILE HG13 H 1 1.291 0.015 . 9 . . . . 39 I HG12 . 15408 1 472 . 1 1 40 40 ILE HG21 H 1 0.662 0.015 . 1 . . . . 39 I HG21 . 15408 1 473 . 1 1 40 40 ILE HG22 H 1 0.662 0.015 . 1 . . . . 39 I HG21 . 15408 1 474 . 1 1 40 40 ILE HG23 H 1 0.662 0.015 . 1 . . . . 39 I HG21 . 15408 1 475 . 1 1 40 40 ILE C C 13 173.996 0.15 . 1 . . . . 39 I C . 15408 1 476 . 1 1 40 40 ILE CA C 13 59.901 0.15 . 1 . . . . 39 I CA . 15408 1 477 . 1 1 40 40 ILE CB C 13 39.754 0.15 . 1 . . . . 39 I CB . 15408 1 478 . 1 1 40 40 ILE CD1 C 13 13.677 0.15 . 1 . . . . 39 I CD1 . 15408 1 479 . 1 1 40 40 ILE CG1 C 13 27.292 0.15 . 2 . . . . 39 I CG1 . 15408 1 480 . 1 1 40 40 ILE CG2 C 13 16.986 0.15 . 2 . . . . 39 I CG2 . 15408 1 481 . 1 1 40 40 ILE N N 15 119.652 0.05 . 1 . . . . 39 I N . 15408 1 482 . 1 1 41 41 ASP H H 1 8.662 0.015 . 1 . . . . 40 D HN . 15408 1 483 . 1 1 41 41 ASP HA H 1 4.832 0.015 . 1 . . . . 40 D HA . 15408 1 484 . 1 1 41 41 ASP HB2 H 1 2.541 0.015 . 2 . . . . 40 D HB1 . 15408 1 485 . 1 1 41 41 ASP HB3 H 1 2.731 0.015 . 2 . . . . 40 D HB2 . 15408 1 486 . 1 1 41 41 ASP C C 13 174.539 0.15 . 1 . . . . 40 D C . 15408 1 487 . 1 1 41 41 ASP CA C 13 52.987 0.15 . 1 . . . . 40 D CA . 15408 1 488 . 1 1 41 41 ASP CB C 13 42.893 0.15 . 1 . . . . 40 D CB . 15408 1 489 . 1 1 41 41 ASP N N 15 127.137 0.05 . 1 . . . . 40 D N . 15408 1 490 . 1 1 42 42 GLY H H 1 8.085 0.015 . 1 . . . . 41 G HN . 15408 1 491 . 1 1 42 42 GLY HA2 H 1 3.599 0.015 . 2 . . . . 41 G HA1 . 15408 1 492 . 1 1 42 42 GLY HA3 H 1 4.344 0.015 . 2 . . . . 41 G HA2 . 15408 1 493 . 1 1 42 42 GLY C C 13 172.132 0.15 . 1 . . . . 41 G C . 15408 1 494 . 1 1 42 42 GLY CA C 13 45.089 0.15 . 1 . . . . 41 G CA . 15408 1 495 . 1 1 42 42 GLY N N 15 106.924 0.05 . 1 . . . . 41 G N . 15408 1 496 . 1 1 43 43 GLU H H 1 8.226 0.015 . 1 . . . . 42 E HN . 15408 1 497 . 1 1 43 43 GLU HA H 1 4.734 0.015 . 1 . . . . 42 E HA . 15408 1 498 . 1 1 43 43 GLU HB2 H 1 2.009 0.015 . 2 . . . . 42 E HB1 . 15408 1 499 . 1 1 43 43 GLU HB3 H 1 2.098 0.015 . 2 . . . . 42 E HB2 . 15408 1 500 . 1 1 43 43 GLU HG2 H 1 2.266 0.015 . 2 . . . . 42 E HG1 . 15408 1 501 . 1 1 43 43 GLU HG3 H 1 2.382 0.015 . 2 . . . . 42 E HG2 . 15408 1 502 . 1 1 43 43 GLU C C 13 176.868 0.15 . 1 . . . . 42 E C . 15408 1 503 . 1 1 43 43 GLU CA C 13 55.553 0.15 . 1 . . . . 42 E CA . 15408 1 504 . 1 1 43 43 GLU CB C 13 31.540 0.15 . 1 . . . . 42 E CB . 15408 1 505 . 1 1 43 43 GLU CG C 13 36.315 0.15 . 1 . . . . 42 E CG . 15408 1 506 . 1 1 43 43 GLU N N 15 120.009 0.05 . 1 . . . . 42 E N . 15408 1 507 . 1 1 44 44 TRP H H 1 9.419 0.015 . 1 . . . . 43 W HN . 15408 1 508 . 1 1 44 44 TRP HA H 1 5.505 0.015 . 1 . . . . 43 W HA . 15408 1 509 . 1 1 44 44 TRP HB2 H 1 3.224 0.015 . 2 . . . . 43 W HB1 . 15408 1 510 . 1 1 44 44 TRP HB3 H 1 3.300 0.015 . 2 . . . . 43 W HB2 . 15408 1 511 . 1 1 44 44 TRP HD1 H 1 7.504 0.015 . 1 . . . . 43 W HD1 . 15408 1 512 . 1 1 44 44 TRP HE1 H 1 10.320 0.015 . 1 . . . . 43 W HE1 . 15408 1 513 . 1 1 44 44 TRP HE3 H 1 7.366 0.015 . 1 . . . . 43 W HE3 . 15408 1 514 . 1 1 44 44 TRP HH2 H 1 6.492 0.015 . 1 . . . . 43 W HH2 . 15408 1 515 . 1 1 44 44 TRP HZ2 H 1 7.067 0.015 . 1 . . . . 43 W HZ2 . 15408 1 516 . 1 1 44 44 TRP HZ3 H 1 6.170 0.015 . 1 . . . . 43 W HZ3 . 15408 1 517 . 1 1 44 44 TRP C C 13 176.946 0.15 . 1 . . . . 43 W C . 15408 1 518 . 1 1 44 44 TRP CA C 13 57.305 0.15 . 1 . . . . 43 W CA . 15408 1 519 . 1 1 44 44 TRP CB C 13 30.542 0.15 . 1 . . . . 43 W CB . 15408 1 520 . 1 1 44 44 TRP CD1 C 13 126.495 0.15 . 1 . . . . 43 W CD1 . 15408 1 521 . 1 1 44 44 TRP CE3 C 13 120.035 0.15 . 1 . . . . 43 W CE3 . 15408 1 522 . 1 1 44 44 TRP CH2 C 13 123.276 0.15 . 1 . . . . 43 W CH2 . 15408 1 523 . 1 1 44 44 TRP CZ2 C 13 113.754 0.15 . 1 . . . . 43 W CZ2 . 15408 1 524 . 1 1 44 44 TRP CZ3 C 13 120.254 0.15 . 1 . . . . 43 W CZ3 . 15408 1 525 . 1 1 44 44 TRP N N 15 128.407 0.05 . 1 . . . . 43 W N . 15408 1 526 . 1 1 44 44 TRP NE1 N 15 130.265 0.05 . 1 . . . . 43 W NE1 . 15408 1 527 . 1 1 45 45 THR H H 1 9.270 0.015 . 1 . . . . 44 T HN . 15408 1 528 . 1 1 45 45 THR HA H 1 4.867 0.015 . 1 . . . . 44 T HA . 15408 1 529 . 1 1 45 45 THR HB H 1 4.240 0.015 . 1 . . . . 44 T HB . 15408 1 530 . 1 1 45 45 THR HG21 H 1 1.242 0.015 . 1 . . . . 44 T HG21 . 15408 1 531 . 1 1 45 45 THR HG22 H 1 1.242 0.015 . 1 . . . . 44 T HG21 . 15408 1 532 . 1 1 45 45 THR HG23 H 1 1.242 0.015 . 1 . . . . 44 T HG21 . 15408 1 533 . 1 1 45 45 THR C C 13 172.443 0.15 . 1 . . . . 44 T C . 15408 1 534 . 1 1 45 45 THR CA C 13 60.751 0.15 . 1 . . . . 44 T CA . 15408 1 535 . 1 1 45 45 THR CB C 13 71.862 0.15 . 1 . . . . 44 T CB . 15408 1 536 . 1 1 45 45 THR CG2 C 13 22.215 0.15 . 1 . . . . 44 T CG2 . 15408 1 537 . 1 1 45 45 THR N N 15 115.650 0.05 . 1 . . . . 44 T N . 15408 1 538 . 1 1 46 46 TYR H H 1 8.720 0.015 . 1 . . . . 45 Y HN . 15408 1 539 . 1 1 46 46 TYR HB2 H 1 2.333 0.015 . 2 . . . . 45 Y HB1 . 15408 1 540 . 1 1 46 46 TYR HB3 H 1 2.439 0.015 . 2 . . . . 45 Y HB2 . 15408 1 541 . 1 1 46 46 TYR C C 13 173.685 0.15 . 1 . . . . 45 Y C . 15408 1 542 . 1 1 46 46 TYR CA C 13 56.610 0.15 . 1 . . . . 45 Y CA . 15408 1 543 . 1 1 46 46 TYR CB C 13 41.598 0.15 . 1 . . . . 45 Y CB . 15408 1 544 . 1 1 46 46 TYR N N 15 122.494 0.05 . 1 . . . . 45 Y N . 15408 1 545 . 1 1 47 47 ASP H H 1 7.576 0.015 . 1 . . . . 46 D HN . 15408 1 546 . 1 1 47 47 ASP HA H 1 4.568 0.015 . 1 . . . . 46 D HA . 15408 1 547 . 1 1 47 47 ASP HB2 H 1 2.195 0.015 . 2 . . . . 46 D HB1 . 15408 1 548 . 1 1 47 47 ASP HB3 H 1 2.560 0.015 . 2 . . . . 46 D HB2 . 15408 1 549 . 1 1 47 47 ASP C C 13 174.384 0.15 . 1 . . . . 46 D C . 15408 1 550 . 1 1 47 47 ASP CA C 13 51.984 0.15 . 1 . . . . 46 D CA . 15408 1 551 . 1 1 47 47 ASP CB C 13 42.982 0.15 . 1 . . . . 46 D CB . 15408 1 552 . 1 1 47 47 ASP N N 15 128.196 0.05 . 1 . . . . 46 D N . 15408 1 553 . 1 1 48 48 ASP H H 1 8.461 0.015 . 1 . . . . 47 D HN . 15408 1 554 . 1 1 48 48 ASP HA H 1 3.942 0.015 . 1 . . . . 47 D HA . 15408 1 555 . 1 1 48 48 ASP HB2 H 1 2.477 0.015 . 2 . . . . 47 D HB1 . 15408 1 556 . 1 1 48 48 ASP HB3 H 1 2.740 0.015 . 2 . . . . 47 D HB2 . 15408 1 557 . 1 1 48 48 ASP C C 13 178.188 0.15 . 1 . . . . 47 D C . 15408 1 558 . 1 1 48 48 ASP CA C 13 56.507 0.15 . 1 . . . . 47 D CA . 15408 1 559 . 1 1 48 48 ASP CB C 13 42.052 0.15 . 1 . . . . 47 D CB . 15408 1 560 . 1 1 48 48 ASP N N 15 124.811 0.05 . 1 . . . . 47 D N . 15408 1 561 . 1 1 49 49 ALA H H 1 8.240 0.015 . 1 . . . . 48 A HN . 15408 1 562 . 1 1 49 49 ALA HA H 1 3.970 0.015 . 1 . . . . 48 A HA . 15408 1 563 . 1 1 49 49 ALA HB1 H 1 1.465 0.015 . 1 . . . . 48 A HB1 . 15408 1 564 . 1 1 49 49 ALA HB2 H 1 1.465 0.015 . 1 . . . . 48 A HB1 . 15408 1 565 . 1 1 49 49 ALA HB3 H 1 1.465 0.015 . 1 . . . . 48 A HB1 . 15408 1 566 . 1 1 49 49 ALA C C 13 179.819 0.15 . 1 . . . . 48 A C . 15408 1 567 . 1 1 49 49 ALA CA C 13 56.005 0.15 . 1 . . . . 48 A CA . 15408 1 568 . 1 1 49 49 ALA CB C 13 18.332 0.15 . 1 . . . . 48 A CB . 15408 1 569 . 1 1 49 49 ALA N N 15 119.683 0.05 . 1 . . . . 48 A N . 15408 1 570 . 1 1 50 50 THR H H 1 6.950 0.015 . 1 . . . . 49 T HN . 15408 1 571 . 1 1 50 50 THR HA H 1 4.338 0.015 . 1 . . . . 49 T HA . 15408 1 572 . 1 1 50 50 THR HB H 1 4.367 0.015 . 1 . . . . 49 T HB . 15408 1 573 . 1 1 50 50 THR HG21 H 1 1.071 0.015 . 1 . . . . 49 T HG21 . 15408 1 574 . 1 1 50 50 THR HG22 H 1 1.071 0.015 . 1 . . . . 49 T HG21 . 15408 1 575 . 1 1 50 50 THR HG23 H 1 1.071 0.015 . 1 . . . . 49 T HG21 . 15408 1 576 . 1 1 50 50 THR C C 13 175.238 0.15 . 1 . . . . 49 T C . 15408 1 577 . 1 1 50 50 THR CA C 13 60.346 0.15 . 1 . . . . 49 T CA . 15408 1 578 . 1 1 50 50 THR CB C 13 70.020 0.15 . 1 . . . . 49 T CB . 15408 1 579 . 1 1 50 50 THR CG2 C 13 21.263 0.15 . 1 . . . . 49 T CG2 . 15408 1 580 . 1 1 50 50 THR N N 15 103.180 0.05 . 1 . . . . 49 T N . 15408 1 581 . 1 1 51 51 LYS H H 1 7.717 0.015 . 1 . . . . 50 K HN . 15408 1 582 . 1 1 51 51 LYS HA H 1 4.002 0.015 . 1 . . . . 50 K HA . 15408 1 583 . 1 1 51 51 LYS HB2 H 1 1.757 0.015 . 2 . . . . 50 K HB1 . 15408 1 584 . 1 1 51 51 LYS HB3 H 1 1.927 0.015 . 2 . . . . 50 K HB2 . 15408 1 585 . 1 1 51 51 LYS HD2 H 1 1.291 0.015 . 2 . . . . 50 K HD1 . 15408 1 586 . 1 1 51 51 LYS HD3 H 1 1.663 0.015 . 2 . . . . 50 K HD2 . 15408 1 587 . 1 1 51 51 LYS HE2 H 1 2.879 0.015 . 2 . . . . 50 K HE1 . 15408 1 588 . 1 1 51 51 LYS HE3 H 1 3.026 0.015 . 2 . . . . 50 K HE2 . 15408 1 589 . 1 1 51 51 LYS HG2 H 1 1.118 0.015 . 2 . . . . 50 K HG1 . 15408 1 590 . 1 1 51 51 LYS HG3 H 1 1.118 0.015 . 2 . . . . 50 K HG2 . 15408 1 591 . 1 1 51 51 LYS C C 13 174.539 0.15 . 1 . . . . 50 K C . 15408 1 592 . 1 1 51 51 LYS CA C 13 56.093 0.15 . 1 . . . . 50 K CA . 15408 1 593 . 1 1 51 51 LYS CB C 13 29.051 0.15 . 1 . . . . 50 K CB . 15408 1 594 . 1 1 51 51 LYS CD C 13 28.334 0.15 . 1 . . . . 50 K CD . 15408 1 595 . 1 1 51 51 LYS CE C 13 43.004 0.15 . 1 . . . . 50 K CE . 15408 1 596 . 1 1 51 51 LYS CG C 13 24.344 0.15 . 1 . . . . 50 K CG . 15408 1 597 . 1 1 51 51 LYS N N 15 123.704 0.05 . 1 . . . . 50 K N . 15408 1 598 . 1 1 52 52 THR H H 1 7.147 0.015 . 1 . . . . 51 T HN . 15408 1 599 . 1 1 52 52 THR HA H 1 5.472 0.015 . 1 . . . . 51 T HA . 15408 1 600 . 1 1 52 52 THR HB H 1 3.684 0.015 . 1 . . . . 51 T HB . 15408 1 601 . 1 1 52 52 THR HG21 H 1 1.004 0.015 . 1 . . . . 51 T HG21 . 15408 1 602 . 1 1 52 52 THR HG22 H 1 1.004 0.015 . 1 . . . . 51 T HG21 . 15408 1 603 . 1 1 52 52 THR HG23 H 1 1.004 0.015 . 1 . . . . 51 T HG21 . 15408 1 604 . 1 1 52 52 THR C C 13 175.296 0.15 . 1 . . . . 51 T C . 15408 1 605 . 1 1 52 52 THR CA C 13 61.639 0.15 . 1 . . . . 51 T CA . 15408 1 606 . 1 1 52 52 THR CB C 13 72.686 0.15 . 1 . . . . 51 T CB . 15408 1 607 . 1 1 52 52 THR CG2 C 13 20.666 0.15 . 1 . . . . 51 T CG2 . 15408 1 608 . 1 1 52 52 THR N N 15 110.822 0.05 . 1 . . . . 51 T N . 15408 1 609 . 1 1 53 53 TRP H H 1 9.997 0.015 . 1 . . . . 52 W HN . 15408 1 610 . 1 1 53 53 TRP HA H 1 5.731 0.015 . 1 . . . . 52 W HA . 15408 1 611 . 1 1 53 53 TRP HB2 H 1 3.149 0.015 . 2 . . . . 52 W HB1 . 15408 1 612 . 1 1 53 53 TRP HB3 H 1 3.301 0.015 . 2 . . . . 52 W HB2 . 15408 1 613 . 1 1 53 53 TRP HD1 H 1 7.040 0.015 . 1 . . . . 52 W HD1 . 15408 1 614 . 1 1 53 53 TRP HE3 H 1 7.780 0.015 . 1 . . . . 52 W HE3 . 15408 1 615 . 1 1 53 53 TRP HH2 H 1 6.856 0.015 . 1 . . . . 52 W HH2 . 15408 1 616 . 1 1 53 53 TRP HZ2 H 1 6.774 0.015 . 1 . . . . 52 W HZ2 . 15408 1 617 . 1 1 53 53 TRP HZ3 H 1 6.769 0.015 . 1 . . . . 52 W HZ3 . 15408 1 618 . 1 1 53 53 TRP C C 13 175.160 0.15 . 1 . . . . 52 W C . 15408 1 619 . 1 1 53 53 TRP CA C 13 58.692 0.15 . 1 . . . . 52 W CA . 15408 1 620 . 1 1 53 53 TRP CB C 13 32.809 0.15 . 1 . . . . 52 W CB . 15408 1 621 . 1 1 53 53 TRP CD1 C 13 126.059 0.15 . 1 . . . . 52 W CD1 . 15408 1 622 . 1 1 53 53 TRP CE3 C 13 120.623 0.15 . 1 . . . . 52 W CE3 . 15408 1 623 . 1 1 53 53 TRP CH2 C 13 124.344 0.15 . 1 . . . . 52 W CH2 . 15408 1 624 . 1 1 53 53 TRP CZ2 C 13 113.686 0.15 . 1 . . . . 52 W CZ2 . 15408 1 625 . 1 1 53 53 TRP CZ3 C 13 121.818 0.15 . 1 . . . . 52 W CZ3 . 15408 1 626 . 1 1 53 53 TRP N N 15 131.821 0.05 . 1 . . . . 52 W N . 15408 1 627 . 1 1 54 54 THR H H 1 9.243 0.015 . 1 . . . . 53 T HN . 15408 1 628 . 1 1 54 54 THR HA H 1 5.258 0.015 . 1 . . . . 53 T HA . 15408 1 629 . 1 1 54 54 THR HB H 1 3.829 0.015 . 1 . . . . 53 T HB . 15408 1 630 . 1 1 54 54 THR HG21 H 1 1.024 0.015 . 1 . . . . 53 T HG21 . 15408 1 631 . 1 1 54 54 THR HG22 H 1 1.024 0.015 . 1 . . . . 53 T HG21 . 15408 1 632 . 1 1 54 54 THR HG23 H 1 1.024 0.015 . 1 . . . . 53 T HG21 . 15408 1 633 . 1 1 54 54 THR C C 13 173.375 0.15 . 1 . . . . 53 T C . 15408 1 634 . 1 1 54 54 THR CA C 13 61.788 0.15 . 1 . . . . 53 T CA . 15408 1 635 . 1 1 54 54 THR CB C 13 70.933 0.15 . 1 . . . . 53 T CB . 15408 1 636 . 1 1 54 54 THR CG2 C 13 20.641 0.15 . 1 . . . . 53 T CG2 . 15408 1 637 . 1 1 54 54 THR N N 15 117.612 0.05 . 1 . . . . 53 T N . 15408 1 638 . 1 1 55 55 VAL H H 1 8.665 0.015 . 1 . . . . 54 V HN . 15408 1 639 . 1 1 55 55 VAL HA H 1 4.734 0.015 . 1 . . . . 54 V HA . 15408 1 640 . 1 1 55 55 VAL HB H 1 0.802 0.015 . 1 . . . . 54 V HB . 15408 1 641 . 1 1 55 55 VAL HG11 H 1 -0.214 0.015 . 4 . . . . 54 V HG11 . 15408 1 642 . 1 1 55 55 VAL HG12 H 1 -0.214 0.015 . 4 . . . . 54 V HG11 . 15408 1 643 . 1 1 55 55 VAL HG13 H 1 -0.214 0.015 . 4 . . . . 54 V HG11 . 15408 1 644 . 1 1 55 55 VAL HG21 H 1 0.494 0.015 . 4 . . . . 54 V HG21 . 15408 1 645 . 1 1 55 55 VAL HG22 H 1 0.494 0.015 . 4 . . . . 54 V HG21 . 15408 1 646 . 1 1 55 55 VAL HG23 H 1 0.494 0.015 . 4 . . . . 54 V HG21 . 15408 1 647 . 1 1 55 55 VAL C C 13 173.530 0.15 . 1 . . . . 54 V C . 15408 1 648 . 1 1 55 55 VAL CA C 13 59.199 0.15 . 1 . . . . 54 V CA . 15408 1 649 . 1 1 55 55 VAL CB C 13 33.233 0.15 . 1 . . . . 54 V CB . 15408 1 650 . 1 1 55 55 VAL CG1 C 13 20.730 0.15 . 2 . . . . 54 V CG1 . 15408 1 651 . 1 1 55 55 VAL CG2 C 13 20.303 0.15 . 2 . . . . 54 V CG2 . 15408 1 652 . 1 1 55 55 VAL N N 15 125.577 0.05 . 1 . . . . 54 V N . 15408 1 653 . 1 1 56 56 THR H H 1 8.534 0.015 . 1 . . . . 55 T HN . 15408 1 654 . 1 1 56 56 THR HA H 1 4.832 0.015 . 1 . . . . 55 T HA . 15408 1 655 . 1 1 56 56 THR HB H 1 3.968 0.015 . 1 . . . . 55 T HB . 15408 1 656 . 1 1 56 56 THR HG21 H 1 1.294 0.015 . 1 . . . . 55 T HG21 . 15408 1 657 . 1 1 56 56 THR HG22 H 1 1.294 0.015 . 1 . . . . 55 T HG21 . 15408 1 658 . 1 1 56 56 THR HG23 H 1 1.294 0.015 . 1 . . . . 55 T HG21 . 15408 1 659 . 1 1 56 56 THR C C 13 174.073 0.15 . 1 . . . . 55 T C . 15408 1 660 . 1 1 56 56 THR CA C 13 61.269 0.15 . 1 . . . . 55 T CA . 15408 1 661 . 1 1 56 56 THR CB C 13 70.704 0.15 . 1 . . . . 55 T CB . 15408 1 662 . 1 1 56 56 THR CG2 C 13 21.381 0.15 . 1 . . . . 55 T CG2 . 15408 1 663 . 1 1 56 56 THR N N 15 124.271 0.05 . 1 . . . . 55 T N . 15408 1 664 . 1 1 57 57 GLU H H 1 7.858 0.015 . 1 . . . . 56 E HN . 15408 1 665 . 1 1 57 57 GLU HA H 1 4.273 0.015 . 1 . . . . 56 E HA . 15408 1 666 . 1 1 57 57 GLU HB2 H 1 1.901 0.015 . 2 . . . . 56 E HB1 . 15408 1 667 . 1 1 57 57 GLU HB3 H 1 2.168 0.015 . 2 . . . . 56 E HB2 . 15408 1 668 . 1 1 57 57 GLU HG2 H 1 2.326 0.015 . 2 . . . . 56 E HG1 . 15408 1 669 . 1 1 57 57 GLU HG3 H 1 2.404 0.015 . 2 . . . . 56 E HG2 . 15408 1 670 . 1 1 57 57 GLU CA C 13 58.396 0.15 . 1 . . . . 56 E CA . 15408 1 671 . 1 1 57 57 GLU CB C 13 32.815 0.15 . 1 . . . . 56 E CB . 15408 1 672 . 1 1 57 57 GLU CG C 13 37.273 0.15 . 1 . . . . 56 E CG . 15408 1 673 . 1 1 57 57 GLU N N 15 133.916 0.05 . 1 . . . . 56 E N . 15408 1 stop_ save_