################################### # 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_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 17301 _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 DQF-COSY' . . . 17301 1 2 '2D 1H-1H TOCSY' . . . 17301 1 3 '2D 1H-1H NOESY' . . . 17301 1 4 '2D 1H-15N HSQC' . . . 17301 1 5 '3D 1H-15N NOESY' . . . 17301 1 6 '3D 1H-15N TOCSY' . . . 17301 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 2 2 VAL H H 1 8.665 0.02 . 1 . . . . 3 VAL H . 17301 1 2 . 1 1 2 2 VAL HA H 1 4.207 0.02 . 1 . . . . 3 VAL HA . 17301 1 3 . 1 1 2 2 VAL HB H 1 2.163 0.02 . 1 . . . . 3 VAL HB . 17301 1 4 . 1 1 2 2 VAL HG11 H 1 1.039 0.02 . 1 . . . . 3 VAL MG1 . 17301 1 5 . 1 1 2 2 VAL HG12 H 1 1.039 0.02 . 1 . . . . 3 VAL MG1 . 17301 1 6 . 1 1 2 2 VAL HG13 H 1 1.039 0.02 . 1 . . . . 3 VAL MG1 . 17301 1 7 . 1 1 2 2 VAL HG21 H 1 0.918 0.02 . 1 . . . . 3 VAL MG2 . 17301 1 8 . 1 1 2 2 VAL HG22 H 1 0.918 0.02 . 1 . . . . 3 VAL MG2 . 17301 1 9 . 1 1 2 2 VAL HG23 H 1 0.918 0.02 . 1 . . . . 3 VAL MG2 . 17301 1 10 . 1 1 2 2 VAL N N 15 120.951 0.2 . 1 . . . . 3 VAL N . 17301 1 11 . 1 1 3 3 GLU H H 1 8.246 0.02 . 1 . . . . 4 GLU H . 17301 1 12 . 1 1 3 3 GLU HA H 1 5.317 0.02 . 1 . . . . 4 GLU HA . 17301 1 13 . 1 1 3 3 GLU HB2 H 1 1.937 0.02 . 1 . . . . 4 GLU HB2 . 17301 1 14 . 1 1 3 3 GLU HB3 H 1 1.811 0.02 . 1 . . . . 4 GLU HB3 . 17301 1 15 . 1 1 3 3 GLU HG2 H 1 2.075 0.02 . 1 . . . . 4 GLU HG2 . 17301 1 16 . 1 1 3 3 GLU HG3 H 1 2.075 0.02 . 1 . . . . 4 GLU HG3 . 17301 1 17 . 1 1 3 3 GLU N N 15 124.001 0.02 . 1 . . . . 4 GLU N . 17301 1 18 . 1 1 4 4 GLU H H 1 8.717 0.02 . 1 . . . . 5 GLU H . 17301 1 19 . 1 1 4 4 GLU HA H 1 4.603 0.02 . 1 . . . . 5 GLU HA . 17301 1 20 . 1 1 4 4 GLU HB2 H 1 1.904 0.02 . 1 . . . . 5 GLU HB2 . 17301 1 21 . 1 1 4 4 GLU HB3 H 1 1.904 0.02 . 1 . . . . 5 GLU HB3 . 17301 1 22 . 1 1 4 4 GLU HG2 H 1 2.216 0.02 . 1 . . . . 5 GLU HG2 . 17301 1 23 . 1 1 4 4 GLU HG3 H 1 2.216 0.02 . 1 . . . . 5 GLU HG3 . 17301 1 24 . 1 1 4 4 GLU N N 15 121.111 0.2 . 1 . . . . 5 GLU N . 17301 1 25 . 1 1 5 5 ILE H H 1 8.479 0.02 . 1 . . . . 6 ILE H . 17301 1 26 . 1 1 5 5 ILE HA H 1 4.957 0.02 . 1 . . . . 6 ILE HA . 17301 1 27 . 1 1 5 5 ILE HB H 1 1.750 0.02 . 1 . . . . 6 ILE HB . 17301 1 28 . 1 1 5 5 ILE HG12 H 1 1.019 0.02 . 1 . . . . 6 ILE HG12 . 17301 1 29 . 1 1 5 5 ILE HG13 H 1 1.515 0.02 . 1 . . . . 6 ILE HG13 . 17301 1 30 . 1 1 5 5 ILE HG21 H 1 0.876 0.02 . 1 . . . . 6 ILE MG . 17301 1 31 . 1 1 5 5 ILE HG22 H 1 0.876 0.02 . 1 . . . . 6 ILE MG . 17301 1 32 . 1 1 5 5 ILE HG23 H 1 0.876 0.02 . 1 . . . . 6 ILE MG . 17301 1 33 . 1 1 5 5 ILE HD11 H 1 0.807 0.02 . 1 . . . . 6 ILE MD . 17301 1 34 . 1 1 5 5 ILE HD12 H 1 0.807 0.02 . 1 . . . . 6 ILE MD . 17301 1 35 . 1 1 5 5 ILE HD13 H 1 0.807 0.02 . 1 . . . . 6 ILE MD . 17301 1 36 . 1 1 5 5 ILE N N 15 124.243 0.2 . 1 . . . . 6 ILE N . 17301 1 37 . 1 1 6 6 VAL H H 1 9.112 0.02 . 1 . . . . 7 VAL H . 17301 1 38 . 1 1 6 6 VAL HA H 1 4.558 0.02 . 1 . . . . 7 VAL HA . 17301 1 39 . 1 1 6 6 VAL HB H 1 2.073 0.02 . 1 . . . . 7 VAL HB . 17301 1 40 . 1 1 6 6 VAL HG11 H 1 1.006 0.02 . 1 . . . . 7 VAL MG1 . 17301 1 41 . 1 1 6 6 VAL HG12 H 1 1.006 0.02 . 1 . . . . 7 VAL MG1 . 17301 1 42 . 1 1 6 6 VAL HG13 H 1 1.006 0.02 . 1 . . . . 7 VAL MG1 . 17301 1 43 . 1 1 6 6 VAL HG21 H 1 0.876 0.02 . 1 . . . . 7 VAL MG2 . 17301 1 44 . 1 1 6 6 VAL HG22 H 1 0.876 0.02 . 1 . . . . 7 VAL MG2 . 17301 1 45 . 1 1 6 6 VAL HG23 H 1 0.876 0.02 . 1 . . . . 7 VAL MG2 . 17301 1 46 . 1 1 6 6 VAL N N 15 125.037 0.2 . 1 . . . . 7 VAL N . 17301 1 47 . 1 1 7 7 LYS H H 1 8.203 0.02 . 1 . . . . 8 LYS H . 17301 1 48 . 1 1 7 7 LYS HA H 1 5.086 0.02 . 1 . . . . 8 LYS HA . 17301 1 49 . 1 1 7 7 LYS HB2 H 1 2.116 0.02 . 1 . . . . 8 LYS HB2 . 17301 1 50 . 1 1 7 7 LYS HB3 H 1 2.116 0.02 . 1 . . . . 8 LYS HB3 . 17301 1 51 . 1 1 7 7 LYS HG2 H 1 1.292 0.02 . 1 . . . . 8 LYS HG2 . 17301 1 52 . 1 1 7 7 LYS HG3 H 1 1.292 0.02 . 1 . . . . 8 LYS HG3 . 17301 1 53 . 1 1 7 7 LYS HD2 H 1 1.589 0.02 . 1 . . . . 8 LYS HD2 . 17301 1 54 . 1 1 7 7 LYS HD3 H 1 1.589 0.02 . 1 . . . . 8 LYS HD3 . 17301 1 55 . 1 1 7 7 LYS HE2 H 1 2.659 0.02 . 1 . . . . 8 LYS HE2 . 17301 1 56 . 1 1 7 7 LYS HE3 H 1 2.659 0.02 . 1 . . . . 8 LYS HE3 . 17301 1 57 . 1 1 7 7 LYS N N 15 122.105 0.2 . 1 . . . . 8 LYS N . 17301 1 58 . 1 1 8 8 VAL H H 1 9.201 0.02 . 1 . . . . 9 VAL H . 17301 1 59 . 1 1 8 8 VAL HA H 1 3.790 0.02 . 1 . . . . 9 VAL HA . 17301 1 60 . 1 1 8 8 VAL HB H 1 2.201 0.02 . 1 . . . . 9 VAL HB . 17301 1 61 . 1 1 8 8 VAL HG11 H 1 0.911 0.02 . 1 . . . . 9 VAL MG1 . 17301 1 62 . 1 1 8 8 VAL HG12 H 1 0.911 0.02 . 1 . . . . 9 VAL MG1 . 17301 1 63 . 1 1 8 8 VAL HG13 H 1 0.911 0.02 . 1 . . . . 9 VAL MG1 . 17301 1 64 . 1 1 8 8 VAL HG21 H 1 0.911 0.02 . 1 . . . . 9 VAL MG2 . 17301 1 65 . 1 1 8 8 VAL HG22 H 1 0.911 0.02 . 1 . . . . 9 VAL MG2 . 17301 1 66 . 1 1 8 8 VAL HG23 H 1 0.911 0.02 . 1 . . . . 9 VAL MG2 . 17301 1 67 . 1 1 8 8 VAL N N 15 127.509 0.2 . 1 . . . . 9 VAL N . 17301 1 68 . 1 1 9 9 SER H H 1 8.906 0.02 . 1 . . . . 10 SER H . 17301 1 69 . 1 1 9 9 SER HA H 1 4.660 0.02 . 1 . . . . 10 SER HA . 17301 1 70 . 1 1 9 9 SER HB2 H 1 4.052 0.02 . 1 . . . . 10 SER HB2 . 17301 1 71 . 1 1 9 9 SER HB3 H 1 4.052 0.02 . 1 . . . . 10 SER HB3 . 17301 1 72 . 1 1 9 9 SER N N 15 126.405 0.2 . 1 . . . . 10 SER N . 17301 1 73 . 1 1 10 10 ARG H H 1 8.169 0.02 . 1 . . . . 11 ARG H . 17301 1 74 . 1 1 10 10 ARG HA H 1 3.762 0.02 . 1 . . . . 11 ARG HA . 17301 1 75 . 1 1 10 10 ARG HB2 H 1 1.745 0.02 . 1 . . . . 11 ARG HB2 . 17301 1 76 . 1 1 10 10 ARG HB3 H 1 1.632 0.02 . 1 . . . . 11 ARG HB3 . 17301 1 77 . 1 1 10 10 ARG HG2 H 1 1.544 0.02 . 1 . . . . 11 ARG HG2 . 17301 1 78 . 1 1 10 10 ARG HG3 H 1 1.523 0.02 . 1 . . . . 11 ARG HG3 . 17301 1 79 . 1 1 10 10 ARG HD2 H 1 3.135 0.02 . 1 . . . . 11 ARG HD2 . 17301 1 80 . 1 1 10 10 ARG HD3 H 1 3.135 0.02 . 1 . . . . 11 ARG HD3 . 17301 1 81 . 1 1 10 10 ARG N N 15 119.047 0.2 . 1 . . . . 11 ARG N . 17301 1 82 . 1 1 11 11 ASN H H 1 8.656 0.02 . 1 . . . . 12 ASN H . 17301 1 83 . 1 1 11 11 ASN HA H 1 4.222 0.02 . 1 . . . . 12 ASN HA . 17301 1 84 . 1 1 11 11 ASN HB2 H 1 2.934 0.02 . 1 . . . . 12 ASN HB2 . 17301 1 85 . 1 1 11 11 ASN HB3 H 1 2.747 0.02 . 1 . . . . 12 ASN HB3 . 17301 1 86 . 1 1 11 11 ASN HD21 H 1 7.448 0.02 . 1 . . . . 12 ASN HD21 . 17301 1 87 . 1 1 11 11 ASN HD22 H 1 6.780 0.02 . 1 . . . . 12 ASN HD22 . 17301 1 88 . 1 1 11 11 ASN ND2 N 15 112.791 0.2 . 1 . . . . 12 ASN ND2 . 17301 1 89 . 1 1 12 12 TYR H H 1 7.678 0.02 . 1 . . . . 13 TYR H . 17301 1 90 . 1 1 12 12 TYR HA H 1 3.466 0.02 . 1 . . . . 13 TYR HA . 17301 1 91 . 1 1 12 12 TYR HB2 H 1 3.315 0.02 . 1 . . . . 13 TYR HB2 . 17301 1 92 . 1 1 12 12 TYR HB3 H 1 2.917 0.02 . 1 . . . . 13 TYR HB3 . 17301 1 93 . 1 1 12 12 TYR HD1 H 1 6.708 0.02 . 1 . . . . 13 TYR HD1 . 17301 1 94 . 1 1 12 12 TYR HD2 H 1 6.708 0.02 . 1 . . . . 13 TYR HD2 . 17301 1 95 . 1 1 12 12 TYR HE1 H 1 6.910 0.02 . 1 . . . . 13 TYR HE1 . 17301 1 96 . 1 1 12 12 TYR HE2 H 1 6.327 0.02 . 1 . . . . 13 TYR HE2 . 17301 1 97 . 1 1 12 12 TYR N N 15 111.197 0.2 . 1 . . . . 13 TYR N . 17301 1 98 . 1 1 13 13 GLN H H 1 6.856 0.02 . 1 . . . . 14 GLN H . 17301 1 99 . 1 1 13 13 GLN HA H 1 5.081 0.02 . 1 . . . . 14 GLN HA . 17301 1 100 . 1 1 13 13 GLN HB2 H 1 1.814 0.02 . 1 . . . . 14 GLN HB2 . 17301 1 101 . 1 1 13 13 GLN HB3 H 1 1.542 0.02 . 1 . . . . 14 GLN HB3 . 17301 1 102 . 1 1 13 13 GLN HG2 H 1 2.247 0.02 . 1 . . . . 14 GLN HG2 . 17301 1 103 . 1 1 13 13 GLN HG3 H 1 2.053 0.02 . 1 . . . . 14 GLN HG3 . 17301 1 104 . 1 1 13 13 GLN HE21 H 1 7.130 0.02 . 1 . . . . 14 GLN HE21 . 17301 1 105 . 1 1 13 13 GLN HE22 H 1 6.606 0.02 . 1 . . . . 14 GLN HE22 . 17301 1 106 . 1 1 13 13 GLN N N 15 113.607 0.2 . 1 . . . . 14 GLN N . 17301 1 107 . 1 1 13 13 GLN NE2 N 15 110.694 0.2 . 1 . . . . 14 GLN NE2 . 17301 1 108 . 1 1 14 14 VAL H H 1 8.621 0.02 . 1 . . . . 15 VAL H . 17301 1 109 . 1 1 14 14 VAL HA H 1 4.440 0.02 . 1 . . . . 15 VAL HA . 17301 1 110 . 1 1 14 14 VAL HB H 1 1.850 0.02 . 1 . . . . 15 VAL HB . 17301 1 111 . 1 1 14 14 VAL HG11 H 1 0.822 0.02 . 1 . . . . 15 VAL MG1 . 17301 1 112 . 1 1 14 14 VAL HG12 H 1 0.822 0.02 . 1 . . . . 15 VAL MG1 . 17301 1 113 . 1 1 14 14 VAL HG13 H 1 0.822 0.02 . 1 . . . . 15 VAL MG1 . 17301 1 114 . 1 1 14 14 VAL HG21 H 1 0.784 0.02 . 1 . . . . 15 VAL MG2 . 17301 1 115 . 1 1 14 14 VAL HG22 H 1 0.784 0.02 . 1 . . . . 15 VAL MG2 . 17301 1 116 . 1 1 14 14 VAL HG23 H 1 0.784 0.02 . 1 . . . . 15 VAL MG2 . 17301 1 117 . 1 1 14 14 VAL N N 15 119.437 0.2 . 1 . . . . 15 VAL N . 17301 1 118 . 1 1 15 15 THR H H 1 8.190 0.02 . 1 . . . . 16 THR H . 17301 1 119 . 1 1 15 15 THR HA H 1 5.302 0.02 . 1 . . . . 16 THR HA . 17301 1 120 . 1 1 15 15 THR HB H 1 3.936 0.02 . 1 . . . . 16 THR HB . 17301 1 121 . 1 1 15 15 THR HG21 H 1 1.114 0.02 . 1 . . . . 16 THR MG . 17301 1 122 . 1 1 15 15 THR HG22 H 1 1.114 0.02 . 1 . . . . 16 THR MG . 17301 1 123 . 1 1 15 15 THR HG23 H 1 1.114 0.02 . 1 . . . . 16 THR MG . 17301 1 124 . 1 1 15 15 THR N N 15 124.322 0.2 . 1 . . . . 16 THR N . 17301 1 125 . 1 1 16 16 ILE H H 1 8.350 0.02 . 1 . . . . 17 ILE H . 17301 1 126 . 1 1 16 16 ILE HA H 1 4.450 0.02 . 1 . . . . 17 ILE HA . 17301 1 127 . 1 1 16 16 ILE HB H 1 2.189 0.02 . 1 . . . . 17 ILE HB . 17301 1 128 . 1 1 16 16 ILE HG12 H 1 0.880 0.02 . 1 . . . . 17 ILE HG12 . 17301 1 129 . 1 1 16 16 ILE HG13 H 1 0.859 0.02 . 1 . . . . 17 ILE HG13 . 17301 1 130 . 1 1 16 16 ILE HG21 H 1 0.855 0.02 . 1 . . . . 17 ILE MG . 17301 1 131 . 1 1 16 16 ILE HG22 H 1 0.855 0.02 . 1 . . . . 17 ILE MG . 17301 1 132 . 1 1 16 16 ILE HG23 H 1 0.855 0.02 . 1 . . . . 17 ILE MG . 17301 1 133 . 1 1 16 16 ILE HD11 H 1 0.660 0.02 . 1 . . . . 17 ILE MD . 17301 1 134 . 1 1 16 16 ILE HD12 H 1 0.660 0.02 . 1 . . . . 17 ILE MD . 17301 1 135 . 1 1 16 16 ILE HD13 H 1 0.660 0.02 . 1 . . . . 17 ILE MD . 17301 1 136 . 1 1 16 16 ILE N N 15 125.335 0.2 . 1 . . . . 17 ILE N . 17301 1 137 . 1 1 17 17 PRO HA H 1 4.407 0.02 . 1 . . . . 18 PRO HA . 17301 1 138 . 1 1 17 17 PRO HB2 H 1 2.369 0.02 . 1 . . . . 18 PRO HB2 . 17301 1 139 . 1 1 17 17 PRO HB3 H 1 2.014 0.02 . 1 . . . . 18 PRO HB3 . 17301 1 140 . 1 1 17 17 PRO HG2 H 1 1.806 0.02 . 1 . . . . 18 PRO HG2 . 17301 1 141 . 1 1 17 17 PRO HG3 H 1 1.727 0.02 . 1 . . . . 18 PRO HG3 . 17301 1 142 . 1 1 17 17 PRO HD2 H 1 4.509 0.02 . 1 . . . . 18 PRO HD2 . 17301 1 143 . 1 1 17 17 PRO HD3 H 1 4.206 0.02 . 1 . . . . 18 PRO HD3 . 17301 1 144 . 1 1 18 18 ALA H H 1 6.793 0.02 . 1 . . . . 19 ALA H . 17301 1 145 . 1 1 18 18 ALA HA H 1 3.608 0.02 . 1 . . . . 19 ALA HA . 17301 1 146 . 1 1 18 18 ALA HB1 H 1 1.378 0.02 . 1 . . . . 19 ALA MB . 17301 1 147 . 1 1 18 18 ALA HB2 H 1 1.378 0.02 . 1 . . . . 19 ALA MB . 17301 1 148 . 1 1 18 18 ALA HB3 H 1 1.378 0.02 . 1 . . . . 19 ALA MB . 17301 1 149 . 1 1 18 18 ALA N N 15 125.454 0.2 . 1 . . . . 19 ALA N . 17301 1 150 . 1 1 19 19 LYS H H 1 9.178 0.02 . 1 . . . . 20 LYS H . 17301 1 151 . 1 1 19 19 LYS HA H 1 3.974 0.02 . 1 . . . . 20 LYS HA . 17301 1 152 . 1 1 19 19 LYS HB2 H 1 1.799 0.02 . 1 . . . . 20 LYS HB2 . 17301 1 153 . 1 1 19 19 LYS HB3 H 1 1.654 0.02 . 1 . . . . 20 LYS HB3 . 17301 1 154 . 1 1 19 19 LYS HG2 H 1 1.386 0.02 . 1 . . . . 20 LYS HG2 . 17301 1 155 . 1 1 19 19 LYS HG3 H 1 1.386 0.02 . 1 . . . . 20 LYS HG3 . 17301 1 156 . 1 1 19 19 LYS HD2 H 1 1.486 0.02 . 1 . . . . 20 LYS HD2 . 17301 1 157 . 1 1 19 19 LYS HD3 H 1 1.486 0.02 . 1 . . . . 20 LYS HD3 . 17301 1 158 . 1 1 19 19 LYS HE2 H 1 3.014 0.02 . 1 . . . . 20 LYS HE2 . 17301 1 159 . 1 1 19 19 LYS HE3 H 1 3.014 0.02 . 1 . . . . 20 LYS HE3 . 17301 1 160 . 1 1 19 19 LYS N N 15 116.398 0.2 . 1 . . . . 20 LYS N . 17301 1 161 . 1 1 20 20 VAL H H 1 6.952 0.02 . 1 . . . . 21 VAL H . 17301 1 162 . 1 1 20 20 VAL HA H 1 3.497 0.02 . 1 . . . . 21 VAL HA . 17301 1 163 . 1 1 20 20 VAL HB H 1 1.983 0.02 . 1 . . . . 21 VAL HB . 17301 1 164 . 1 1 20 20 VAL HG11 H 1 0.822 0.02 . 1 . . . . 21 VAL MG1 . 17301 1 165 . 1 1 20 20 VAL HG12 H 1 0.822 0.02 . 1 . . . . 21 VAL MG1 . 17301 1 166 . 1 1 20 20 VAL HG13 H 1 0.822 0.02 . 1 . . . . 21 VAL MG1 . 17301 1 167 . 1 1 20 20 VAL HG21 H 1 0.710 0.02 . 1 . . . . 21 VAL MG2 . 17301 1 168 . 1 1 20 20 VAL HG22 H 1 0.710 0.02 . 1 . . . . 21 VAL MG2 . 17301 1 169 . 1 1 20 20 VAL HG23 H 1 0.710 0.02 . 1 . . . . 21 VAL MG2 . 17301 1 170 . 1 1 20 20 VAL N N 15 117.177 0.2 . 1 . . . . 21 VAL N . 17301 1 171 . 1 1 21 21 ARG H H 1 7.961 0.02 . 1 . . . . 22 ARG H . 17301 1 172 . 1 1 21 21 ARG HA H 1 4.368 0.02 . 1 . . . . 22 ARG HA . 17301 1 173 . 1 1 21 21 ARG HB2 H 1 1.819 0.02 . 1 . . . . 22 ARG HB2 . 17301 1 174 . 1 1 21 21 ARG HB3 H 1 1.729 0.02 . 1 . . . . 22 ARG HB3 . 17301 1 175 . 1 1 21 21 ARG HG2 H 1 1.356 0.02 . 1 . . . . 22 ARG HG2 . 17301 1 176 . 1 1 21 21 ARG HG3 H 1 1.356 0.02 . 1 . . . . 22 ARG HG3 . 17301 1 177 . 1 1 21 21 ARG HD2 H 1 2.659 0.02 . 1 . . . . 22 ARG HD2 . 17301 1 178 . 1 1 21 21 ARG HD3 H 1 2.564 0.02 . 1 . . . . 22 ARG HD3 . 17301 1 179 . 1 1 21 21 ARG HE H 1 6.523 0.02 . 1 . . . . 22 ARG HE . 17301 1 180 . 1 1 21 21 ARG N N 15 119.066 0.2 . 1 . . . . 22 ARG N . 17301 1 181 . 1 1 22 22 GLN H H 1 7.090 0.02 . 1 . . . . 23 GLN H . 17301 1 182 . 1 1 22 22 GLN HA H 1 3.907 0.02 . 1 . . . . 23 GLN HA . 17301 1 183 . 1 1 22 22 GLN HB2 H 1 1.965 0.02 . 1 . . . . 23 GLN HB2 . 17301 1 184 . 1 1 22 22 GLN HB3 H 1 1.965 0.02 . 1 . . . . 23 GLN HB3 . 17301 1 185 . 1 1 22 22 GLN HG2 H 1 2.483 0.02 . 1 . . . . 23 GLN HG2 . 17301 1 186 . 1 1 22 22 GLN HG3 H 1 2.337 0.02 . 1 . . . . 23 GLN HG3 . 17301 1 187 . 1 1 22 22 GLN HE21 H 1 7.375 0.02 . 1 . . . . 23 GLN HE21 . 17301 1 188 . 1 1 22 22 GLN HE22 H 1 6.773 0.02 . 1 . . . . 23 GLN HE22 . 17301 1 189 . 1 1 22 22 GLN N N 15 116.313 0.2 . 1 . . . . 23 GLN N . 17301 1 190 . 1 1 22 22 GLN NE2 N 15 111.495 0.2 . 1 . . . . 23 GLN NE2 . 17301 1 191 . 1 1 23 23 LYS H H 1 6.992 0.02 . 1 . . . . 24 LYS H . 17301 1 192 . 1 1 23 23 LYS HA H 1 4.188 0.02 . 1 . . . . 24 LYS HA . 17301 1 193 . 1 1 23 23 LYS HB2 H 1 1.607 0.02 . 1 . . . . 24 LYS HB2 . 17301 1 194 . 1 1 23 23 LYS HB3 H 1 1.519 0.02 . 1 . . . . 24 LYS HB3 . 17301 1 195 . 1 1 23 23 LYS HG2 H 1 1.068 0.02 . 1 . . . . 24 LYS HG2 . 17301 1 196 . 1 1 23 23 LYS HG3 H 1 1.018 0.02 . 1 . . . . 24 LYS HG3 . 17301 1 197 . 1 1 23 23 LYS HD2 H 1 1.046 0.02 . 1 . . . . 24 LYS HD2 . 17301 1 198 . 1 1 23 23 LYS HD3 H 1 1.046 0.02 . 1 . . . . 24 LYS HD3 . 17301 1 199 . 1 1 23 23 LYS HE2 H 1 2.959 0.02 . 1 . . . . 24 LYS HE2 . 17301 1 200 . 1 1 23 23 LYS HE3 H 1 2.959 0.02 . 1 . . . . 24 LYS HE3 . 17301 1 201 . 1 1 23 23 LYS N N 15 114.168 0.2 . 1 . . . . 24 LYS N . 17301 1 202 . 1 1 24 24 PHE H H 1 7.674 0.02 . 1 . . . . 25 PHE H . 17301 1 203 . 1 1 24 24 PHE HA H 1 4.436 0.02 . 1 . . . . 25 PHE HA . 17301 1 204 . 1 1 24 24 PHE HB2 H 1 2.711 0.02 . 1 . . . . 25 PHE HB2 . 17301 1 205 . 1 1 24 24 PHE HB3 H 1 2.087 0.02 . 1 . . . . 25 PHE HB3 . 17301 1 206 . 1 1 24 24 PHE HD1 H 1 7.082 0.02 . 1 . . . . 25 PHE HD1 . 17301 1 207 . 1 1 24 24 PHE HD2 H 1 7.082 0.02 . 1 . . . . 25 PHE HD2 . 17301 1 208 . 1 1 24 24 PHE HE1 H 1 7.216 0.02 . 1 . . . . 25 PHE HE1 . 17301 1 209 . 1 1 24 24 PHE HE2 H 1 7.216 0.02 . 1 . . . . 25 PHE HE2 . 17301 1 210 . 1 1 24 24 PHE HZ H 1 6.898 0.02 . 1 . . . . 25 PHE HZ . 17301 1 211 . 1 1 24 24 PHE N N 15 123.476 0.2 . 1 . . . . 25 PHE N . 17301 1 212 . 1 1 25 25 GLN H H 1 7.709 0.02 . 1 . . . . 26 GLN H . 17301 1 213 . 1 1 25 25 GLN HA H 1 4.166 0.02 . 1 . . . . 26 GLN HA . 17301 1 214 . 1 1 25 25 GLN HB2 H 1 1.813 0.02 . 1 . . . . 26 GLN HB2 . 17301 1 215 . 1 1 25 25 GLN HB3 H 1 1.813 0.02 . 1 . . . . 26 GLN HB3 . 17301 1 216 . 1 1 25 25 GLN HG2 H 1 2.164 0.02 . 1 . . . . 26 GLN HG2 . 17301 1 217 . 1 1 25 25 GLN HG3 H 1 2.164 0.02 . 1 . . . . 26 GLN HG3 . 17301 1 218 . 1 1 25 25 GLN HE21 H 1 7.224 0.02 . 1 . . . . 26 GLN HE21 . 17301 1 219 . 1 1 25 25 GLN HE22 H 1 6.656 0.02 . 1 . . . . 26 GLN HE22 . 17301 1 220 . 1 1 25 25 GLN N N 15 121.953 0.2 . 1 . . . . 26 GLN N . 17301 1 221 . 1 1 25 25 GLN NE2 N 15 111.287 0.2 . 1 . . . . 26 GLN NE2 . 17301 1 222 . 1 1 26 26 ILE H H 1 7.470 0.02 . 1 . . . . 27 ILE H . 17301 1 223 . 1 1 26 26 ILE HA H 1 4.485 0.02 . 1 . . . . 27 ILE HA . 17301 1 224 . 1 1 26 26 ILE HB H 1 2.897 0.02 . 1 . . . . 27 ILE HB . 17301 1 225 . 1 1 26 26 ILE HG12 H 1 1.686 0.02 . 1 . . . . 27 ILE HG12 . 17301 1 226 . 1 1 26 26 ILE HG13 H 1 1.582 0.02 . 1 . . . . 27 ILE HG13 . 17301 1 227 . 1 1 26 26 ILE HG21 H 1 1.164 0.02 . 1 . . . . 27 ILE MG . 17301 1 228 . 1 1 26 26 ILE HG22 H 1 1.164 0.02 . 1 . . . . 27 ILE MG . 17301 1 229 . 1 1 26 26 ILE HG23 H 1 1.164 0.02 . 1 . . . . 27 ILE MG . 17301 1 230 . 1 1 26 26 ILE HD11 H 1 0.538 0.02 . 1 . . . . 27 ILE MD . 17301 1 231 . 1 1 26 26 ILE HD12 H 1 0.538 0.02 . 1 . . . . 27 ILE MD . 17301 1 232 . 1 1 26 26 ILE HD13 H 1 0.538 0.02 . 1 . . . . 27 ILE MD . 17301 1 233 . 1 1 26 26 ILE N N 15 118.035 0.2 . 1 . . . . 27 ILE N . 17301 1 234 . 1 1 27 27 LYS H H 1 8.724 0.02 . 1 . . . . 28 LYS H . 17301 1 235 . 1 1 27 27 LYS HA H 1 4.717 0.02 . 1 . . . . 28 LYS HA . 17301 1 236 . 1 1 27 27 LYS HB2 H 1 2.227 0.02 . 1 . . . . 28 LYS HB2 . 17301 1 237 . 1 1 27 27 LYS HB3 H 1 2.227 0.02 . 1 . . . . 28 LYS HB3 . 17301 1 238 . 1 1 27 27 LYS HG2 H 1 1.903 0.02 . 1 . . . . 28 LYS HG2 . 17301 1 239 . 1 1 27 27 LYS HG3 H 1 1.842 0.02 . 1 . . . . 28 LYS HG3 . 17301 1 240 . 1 1 27 27 LYS HD2 H 1 1.760 0.02 . 1 . . . . 28 LYS HD2 . 17301 1 241 . 1 1 27 27 LYS HD3 H 1 1.760 0.02 . 1 . . . . 28 LYS HD3 . 17301 1 242 . 1 1 27 27 LYS HE2 H 1 2.995 0.02 . 1 . . . . 28 LYS HE2 . 17301 1 243 . 1 1 27 27 LYS HE3 H 1 2.995 0.02 . 1 . . . . 28 LYS HE3 . 17301 1 244 . 1 1 27 27 LYS N N 15 121.505 0.2 . 1 . . . . 28 LYS N . 17301 1 245 . 1 1 28 28 GLU H H 1 8.295 0.02 . 1 . . . . 29 GLU H . 17301 1 246 . 1 1 28 28 GLU HA H 1 3.390 0.02 . 1 . . . . 29 GLU HA . 17301 1 247 . 1 1 28 28 GLU HB2 H 1 1.578 0.02 . 1 . . . . 29 GLU HB2 . 17301 1 248 . 1 1 28 28 GLU HB3 H 1 1.435 0.02 . 1 . . . . 29 GLU HB3 . 17301 1 249 . 1 1 28 28 GLU HG2 H 1 1.772 0.02 . 1 . . . . 29 GLU HG2 . 17301 1 250 . 1 1 28 28 GLU HG3 H 1 1.772 0.02 . 1 . . . . 29 GLU HG3 . 17301 1 251 . 1 1 28 28 GLU N N 15 120.400 0.2 . 1 . . . . 29 GLU N . 17301 1 252 . 1 1 29 29 GLY H H 1 8.647 0.02 . 1 . . . . 30 GLY H . 17301 1 253 . 1 1 29 29 GLY HA2 H 1 4.404 0.02 . 1 . . . . 30 GLY HA2 . 17301 1 254 . 1 1 29 29 GLY HA3 H 1 3.438 0.02 . 1 . . . . 30 GLY HA3 . 17301 1 255 . 1 1 29 29 GLY N N 15 114.389 0.2 . 1 . . . . 30 GLY N . 17301 1 256 . 1 1 30 30 ASP H H 1 7.852 0.02 . 1 . . . . 31 ASP H . 17301 1 257 . 1 1 30 30 ASP HA H 1 4.563 0.02 . 1 . . . . 31 ASP HA . 17301 1 258 . 1 1 30 30 ASP HB2 H 1 2.724 0.02 . 1 . . . . 31 ASP HB2 . 17301 1 259 . 1 1 30 30 ASP HB3 H 1 2.455 0.02 . 1 . . . . 31 ASP HB3 . 17301 1 260 . 1 1 30 30 ASP N N 15 120.946 0.2 . 1 . . . . 31 ASP N . 17301 1 261 . 1 1 31 31 LEU H H 1 8.291 0.02 . 1 . . . . 32 LEU H . 17301 1 262 . 1 1 31 31 LEU HA H 1 5.053 0.02 . 1 . . . . 32 LEU HA . 17301 1 263 . 1 1 31 31 LEU HB2 H 1 1.765 0.02 . 1 . . . . 32 LEU HB2 . 17301 1 264 . 1 1 31 31 LEU HB3 H 1 1.765 0.02 . 1 . . . . 32 LEU HB3 . 17301 1 265 . 1 1 31 31 LEU HG H 1 1.178 0.02 . 1 . . . . 32 LEU HG . 17301 1 266 . 1 1 31 31 LEU HD11 H 1 0.739 0.02 . 1 . . . . 32 LEU MD1 . 17301 1 267 . 1 1 31 31 LEU HD12 H 1 0.739 0.02 . 1 . . . . 32 LEU MD1 . 17301 1 268 . 1 1 31 31 LEU HD13 H 1 0.739 0.02 . 1 . . . . 32 LEU MD1 . 17301 1 269 . 1 1 31 31 LEU N N 15 119.508 0.2 . 1 . . . . 32 LEU N . 17301 1 270 . 1 1 32 32 VAL H H 1 9.071 0.02 . 1 . . . . 33 VAL H . 17301 1 271 . 1 1 32 32 VAL HA H 1 4.850 0.02 . 1 . . . . 33 VAL HA . 17301 1 272 . 1 1 32 32 VAL HB H 1 1.786 0.02 . 1 . . . . 33 VAL HB . 17301 1 273 . 1 1 32 32 VAL HG11 H 1 0.864 0.02 . 1 . . . . 33 VAL MG1 . 17301 1 274 . 1 1 32 32 VAL HG12 H 1 0.864 0.02 . 1 . . . . 33 VAL MG1 . 17301 1 275 . 1 1 32 32 VAL HG13 H 1 0.864 0.02 . 1 . . . . 33 VAL MG1 . 17301 1 276 . 1 1 32 32 VAL HG21 H 1 0.726 0.02 . 1 . . . . 33 VAL MG2 . 17301 1 277 . 1 1 32 32 VAL HG22 H 1 0.726 0.02 . 1 . . . . 33 VAL MG2 . 17301 1 278 . 1 1 32 32 VAL HG23 H 1 0.726 0.02 . 1 . . . . 33 VAL MG2 . 17301 1 279 . 1 1 32 32 VAL N N 15 121.727 0.2 . 1 . . . . 33 VAL N . 17301 1 280 . 1 1 33 33 LYS H H 1 9.028 0.02 . 1 . . . . 34 LYS H . 17301 1 281 . 1 1 33 33 LYS HA H 1 4.823 0.02 . 1 . . . . 34 LYS HA . 17301 1 282 . 1 1 33 33 LYS HB2 H 1 1.678 0.02 . 1 . . . . 34 LYS HB2 . 17301 1 283 . 1 1 33 33 LYS HB3 H 1 1.573 0.02 . 1 . . . . 34 LYS HB3 . 17301 1 284 . 1 1 33 33 LYS HG2 H 1 1.248 0.02 . 1 . . . . 34 LYS HG2 . 17301 1 285 . 1 1 33 33 LYS HG3 H 1 1.014 0.02 . 1 . . . . 34 LYS HG3 . 17301 1 286 . 1 1 33 33 LYS HD2 H 1 1.448 0.02 . 1 . . . . 34 LYS HD2 . 17301 1 287 . 1 1 33 33 LYS HD3 H 1 1.448 0.02 . 1 . . . . 34 LYS HD3 . 17301 1 288 . 1 1 33 33 LYS HE2 H 1 2.794 0.02 . 1 . . . . 34 LYS HE2 . 17301 1 289 . 1 1 33 33 LYS HE3 H 1 2.794 0.02 . 1 . . . . 34 LYS HE3 . 17301 1 290 . 1 1 33 33 LYS N N 15 121.797 0.2 . 1 . . . . 34 LYS N . 17301 1 291 . 1 1 34 34 VAL H H 1 9.104 0.02 . 1 . . . . 35 VAL H . 17301 1 292 . 1 1 34 34 VAL HA H 1 4.838 0.02 . 1 . . . . 35 VAL HA . 17301 1 293 . 1 1 34 34 VAL HB H 1 1.988 0.02 . 1 . . . . 35 VAL HB . 17301 1 294 . 1 1 34 34 VAL HG11 H 1 1.005 0.02 . 1 . . . . 35 VAL MG1 . 17301 1 295 . 1 1 34 34 VAL HG12 H 1 1.005 0.02 . 1 . . . . 35 VAL MG1 . 17301 1 296 . 1 1 34 34 VAL HG13 H 1 1.005 0.02 . 1 . . . . 35 VAL MG1 . 17301 1 297 . 1 1 34 34 VAL HG21 H 1 0.885 0.02 . 1 . . . . 35 VAL MG2 . 17301 1 298 . 1 1 34 34 VAL HG22 H 1 0.885 0.02 . 1 . . . . 35 VAL MG2 . 17301 1 299 . 1 1 34 34 VAL HG23 H 1 0.885 0.02 . 1 . . . . 35 VAL MG2 . 17301 1 300 . 1 1 34 34 VAL N N 15 128.433 0.2 . 1 . . . . 35 VAL N . 17301 1 301 . 1 1 35 35 THR H H 1 8.997 0.02 . 1 . . . . 36 THR H . 17301 1 302 . 1 1 35 35 THR HA H 1 5.199 0.02 . 1 . . . . 36 THR HA . 17301 1 303 . 1 1 35 35 THR HB H 1 3.913 0.02 . 1 . . . . 36 THR HB . 17301 1 304 . 1 1 35 35 THR HG21 H 1 1.119 0.02 . 1 . . . . 36 THR MG . 17301 1 305 . 1 1 35 35 THR HG22 H 1 1.119 0.02 . 1 . . . . 36 THR MG . 17301 1 306 . 1 1 35 35 THR HG23 H 1 1.119 0.02 . 1 . . . . 36 THR MG . 17301 1 307 . 1 1 35 35 THR N N 15 119.705 0.2 . 1 . . . . 36 THR N . 17301 1 308 . 1 1 36 36 PHE H H 1 8.588 0.02 . 1 . . . . 37 PHE H . 17301 1 309 . 1 1 36 36 PHE HA H 1 4.891 0.02 . 1 . . . . 37 PHE HA . 17301 1 310 . 1 1 36 36 PHE HB2 H 1 2.961 0.02 . 1 . . . . 37 PHE HB2 . 17301 1 311 . 1 1 36 36 PHE HB3 H 1 2.791 0.02 . 1 . . . . 37 PHE HB3 . 17301 1 312 . 1 1 36 36 PHE HD1 H 1 6.882 0.02 . 1 . . . . 37 PHE HD1 . 17301 1 313 . 1 1 36 36 PHE HD2 H 1 6.882 0.02 . 1 . . . . 37 PHE HD2 . 17301 1 314 . 1 1 36 36 PHE HE1 H 1 7.183 0.02 . 1 . . . . 37 PHE HE1 . 17301 1 315 . 1 1 36 36 PHE HE2 H 1 7.183 0.02 . 1 . . . . 37 PHE HE2 . 17301 1 316 . 1 1 36 36 PHE HZ H 1 7.385 0.02 . 1 . . . . 37 PHE HZ . 17301 1 317 . 1 1 36 36 PHE N N 15 122.774 0.2 . 1 . . . . 37 PHE N . 17301 1 318 . 1 1 37 37 ASP H H 1 8.199 0.02 . 1 . . . . 38 ASP H . 17301 1 319 . 1 1 37 37 ASP HA H 1 4.605 0.02 . 1 . . . . 38 ASP HA . 17301 1 320 . 1 1 37 37 ASP HB2 H 1 2.647 0.02 . 1 . . . . 38 ASP HB2 . 17301 1 321 . 1 1 37 37 ASP HB3 H 1 2.111 0.02 . 1 . . . . 38 ASP HB3 . 17301 1 322 . 1 1 37 37 ASP N N 15 129.206 0.2 . 1 . . . . 38 ASP N . 17301 1 323 . 1 1 38 38 GLU H H 1 8.743 0.02 . 1 . . . . 39 GLU H . 17301 1 324 . 1 1 38 38 GLU HA H 1 3.748 0.02 . 1 . . . . 39 GLU HA . 17301 1 325 . 1 1 38 38 GLU HB2 H 1 2.104 0.02 . 1 . . . . 39 GLU HB2 . 17301 1 326 . 1 1 38 38 GLU HB3 H 1 1.987 0.02 . 1 . . . . 39 GLU HB3 . 17301 1 327 . 1 1 38 38 GLU HG2 H 1 2.408 0.02 . 1 . . . . 39 GLU HG2 . 17301 1 328 . 1 1 38 38 GLU HG3 H 1 2.362 0.02 . 1 . . . . 39 GLU HG3 . 17301 1 329 . 1 1 38 38 GLU N N 15 125.822 0.2 . 1 . . . . 39 GLU N . 17301 1 330 . 1 1 39 39 SER H H 1 8.245 0.02 . 1 . . . . 40 SER H . 17301 1 331 . 1 1 39 39 SER HA H 1 4.263 0.02 . 1 . . . . 40 SER HA . 17301 1 332 . 1 1 39 39 SER HB2 H 1 3.915 0.02 . 1 . . . . 40 SER HB2 . 17301 1 333 . 1 1 39 39 SER HB3 H 1 3.915 0.02 . 1 . . . . 40 SER HB3 . 17301 1 334 . 1 1 39 39 SER N N 15 115.522 0.2 . 1 . . . . 40 SER N . 17301 1 335 . 1 1 40 40 GLU H H 1 7.575 0.02 . 1 . . . . 41 GLU H . 17301 1 336 . 1 1 40 40 GLU HA H 1 4.268 0.02 . 1 . . . . 41 GLU HA . 17301 1 337 . 1 1 40 40 GLU HB2 H 1 1.932 0.02 . 1 . . . . 41 GLU HB2 . 17301 1 338 . 1 1 40 40 GLU HB3 H 1 1.627 0.02 . 1 . . . . 41 GLU HB3 . 17301 1 339 . 1 1 40 40 GLU HG2 H 1 2.229 0.02 . 1 . . . . 41 GLU HG2 . 17301 1 340 . 1 1 40 40 GLU HG3 H 1 2.123 0.02 . 1 . . . . 41 GLU HG3 . 17301 1 341 . 1 1 40 40 GLU N N 15 119.161 0.2 . 1 . . . . 41 GLU N . 17301 1 342 . 1 1 41 41 GLY H H 1 8.181 0.02 . 1 . . . . 42 GLY H . 17301 1 343 . 1 1 41 41 GLY HA2 H 1 4.048 0.02 . 1 . . . . 42 GLY HA2 . 17301 1 344 . 1 1 41 41 GLY HA3 H 1 3.717 0.02 . 1 . . . . 42 GLY HA3 . 17301 1 345 . 1 1 41 41 GLY N N 15 108.749 0.2 . 1 . . . . 42 GLY N . 17301 1 346 . 1 1 42 42 VAL H H 1 6.669 0.02 . 1 . . . . 43 VAL H . 17301 1 347 . 1 1 42 42 VAL HA H 1 4.855 0.02 . 1 . . . . 43 VAL HA . 17301 1 348 . 1 1 42 42 VAL HB H 1 2.064 0.02 . 1 . . . . 43 VAL HB . 17301 1 349 . 1 1 42 42 VAL HG11 H 1 0.843 0.02 . 1 . . . . 43 VAL MG1 . 17301 1 350 . 1 1 42 42 VAL HG12 H 1 0.843 0.02 . 1 . . . . 43 VAL MG1 . 17301 1 351 . 1 1 42 42 VAL HG13 H 1 0.843 0.02 . 1 . . . . 43 VAL MG1 . 17301 1 352 . 1 1 42 42 VAL HG21 H 1 0.575 0.02 . 1 . . . . 43 VAL MG2 . 17301 1 353 . 1 1 42 42 VAL HG22 H 1 0.575 0.02 . 1 . . . . 43 VAL MG2 . 17301 1 354 . 1 1 42 42 VAL HG23 H 1 0.575 0.02 . 1 . . . . 43 VAL MG2 . 17301 1 355 . 1 1 42 42 VAL N N 15 108.920 0.2 . 1 . . . . 43 VAL N . 17301 1 356 . 1 1 43 43 VAL H H 1 7.828 0.02 . 1 . . . . 44 VAL H . 17301 1 357 . 1 1 43 43 VAL HA H 1 4.637 0.02 . 1 . . . . 44 VAL HA . 17301 1 358 . 1 1 43 43 VAL HB H 1 1.366 0.02 . 1 . . . . 44 VAL HB . 17301 1 359 . 1 1 43 43 VAL HG11 H 1 0.647 0.02 . 1 . . . . 44 VAL MG1 . 17301 1 360 . 1 1 43 43 VAL HG12 H 1 0.647 0.02 . 1 . . . . 44 VAL MG1 . 17301 1 361 . 1 1 43 43 VAL HG13 H 1 0.647 0.02 . 1 . . . . 44 VAL MG1 . 17301 1 362 . 1 1 43 43 VAL HG21 H 1 0.084 0.02 . 1 . . . . 44 VAL MG2 . 17301 1 363 . 1 1 43 43 VAL HG22 H 1 0.084 0.02 . 1 . . . . 44 VAL MG2 . 17301 1 364 . 1 1 43 43 VAL HG23 H 1 0.084 0.02 . 1 . . . . 44 VAL MG2 . 17301 1 365 . 1 1 43 43 VAL N N 15 121.598 0.2 . 1 . . . . 44 VAL N . 17301 1 366 . 1 1 44 44 LYS H H 1 9.034 0.02 . 1 . . . . 45 LYS H . 17301 1 367 . 1 1 44 44 LYS HA H 1 5.328 0.02 . 1 . . . . 45 LYS HA . 17301 1 368 . 1 1 44 44 LYS HB2 H 1 1.576 0.02 . 1 . . . . 45 LYS HB2 . 17301 1 369 . 1 1 44 44 LYS HB3 H 1 1.576 0.02 . 1 . . . . 45 LYS HB3 . 17301 1 370 . 1 1 44 44 LYS HG2 H 1 1.237 0.02 . 1 . . . . 45 LYS HG2 . 17301 1 371 . 1 1 44 44 LYS HG3 H 1 1.009 0.02 . 1 . . . . 45 LYS HG3 . 17301 1 372 . 1 1 44 44 LYS HD2 H 1 1.439 0.02 . 1 . . . . 45 LYS HD2 . 17301 1 373 . 1 1 44 44 LYS HD3 H 1 1.439 0.02 . 1 . . . . 45 LYS HD3 . 17301 1 374 . 1 1 44 44 LYS HE2 H 1 2.594 0.02 . 1 . . . . 45 LYS HE2 . 17301 1 375 . 1 1 44 44 LYS HE3 H 1 2.594 0.02 . 1 . . . . 45 LYS HE3 . 17301 1 376 . 1 1 44 44 LYS N N 15 125.796 0.2 . 1 . . . . 45 LYS N . 17301 1 377 . 1 1 45 45 ILE H H 1 9.155 0.02 . 1 . . . . 46 ILE H . 17301 1 378 . 1 1 45 45 ILE HA H 1 5.066 0.02 . 1 . . . . 46 ILE HA . 17301 1 379 . 1 1 45 45 ILE HB H 1 1.569 0.02 . 1 . . . . 46 ILE HB . 17301 1 380 . 1 1 45 45 ILE HG12 H 1 0.985 0.02 . 1 . . . . 46 ILE HG12 . 17301 1 381 . 1 1 45 45 ILE HG13 H 1 0.985 0.02 . 1 . . . . 46 ILE HG13 . 17301 1 382 . 1 1 45 45 ILE HG21 H 1 0.855 0.02 . 1 . . . . 46 ILE MG . 17301 1 383 . 1 1 45 45 ILE HG22 H 1 0.855 0.02 . 1 . . . . 46 ILE MG . 17301 1 384 . 1 1 45 45 ILE HG23 H 1 0.855 0.02 . 1 . . . . 46 ILE MG . 17301 1 385 . 1 1 45 45 ILE HD11 H 1 0.638 0.02 . 1 . . . . 46 ILE MD . 17301 1 386 . 1 1 45 45 ILE HD12 H 1 0.638 0.02 . 1 . . . . 46 ILE MD . 17301 1 387 . 1 1 45 45 ILE HD13 H 1 0.638 0.02 . 1 . . . . 46 ILE MD . 17301 1 388 . 1 1 45 45 ILE N N 15 121.923 0.2 . 1 . . . . 46 ILE N . 17301 1 389 . 1 1 46 46 GLN H H 1 8.752 0.02 . 1 . . . . 47 GLN H . 17301 1 390 . 1 1 46 46 GLN HA H 1 5.153 0.02 . 1 . . . . 47 GLN HA . 17301 1 391 . 1 1 46 46 GLN HB2 H 1 2.099 0.02 . 1 . . . . 47 GLN HB2 . 17301 1 392 . 1 1 46 46 GLN HB3 H 1 1.975 0.02 . 1 . . . . 47 GLN HB3 . 17301 1 393 . 1 1 46 46 GLN HG2 H 1 2.374 0.02 . 1 . . . . 47 GLN HG2 . 17301 1 394 . 1 1 46 46 GLN HG3 H 1 2.374 0.02 . 1 . . . . 47 GLN HG3 . 17301 1 395 . 1 1 46 46 GLN HE21 H 1 7.444 0.02 . 1 . . . . 47 GLN HE21 . 17301 1 396 . 1 1 46 46 GLN HE22 H 1 6.891 0.02 . 1 . . . . 47 GLN HE22 . 17301 1 397 . 1 1 46 46 GLN N N 15 124.304 0.2 . 1 . . . . 47 GLN N . 17301 1 398 . 1 1 46 46 GLN NE2 N 15 111.574 0.2 . 1 . . . . 47 GLN NE2 . 17301 1 399 . 1 1 47 47 LEU H H 1 8.966 0.02 . 1 . . . . 48 LEU H . 17301 1 400 . 1 1 47 47 LEU HA H 1 4.394 0.02 . 1 . . . . 48 LEU HA . 17301 1 401 . 1 1 47 47 LEU HB2 H 1 1.550 0.02 . 1 . . . . 48 LEU HB2 . 17301 1 402 . 1 1 47 47 LEU HB3 H 1 1.482 0.02 . 1 . . . . 48 LEU HB3 . 17301 1 403 . 1 1 47 47 LEU HG H 1 0.806 0.02 . 1 . . . . 48 LEU HG . 17301 1 404 . 1 1 47 47 LEU HD11 H 1 0.702 0.02 . 1 . . . . 48 LEU MD1 . 17301 1 405 . 1 1 47 47 LEU HD12 H 1 0.702 0.02 . 1 . . . . 48 LEU MD1 . 17301 1 406 . 1 1 47 47 LEU HD13 H 1 0.702 0.02 . 1 . . . . 48 LEU MD1 . 17301 1 407 . 1 1 47 47 LEU HD21 H 1 0.531 0.02 . 1 . . . . 48 LEU MD2 . 17301 1 408 . 1 1 47 47 LEU HD22 H 1 0.531 0.02 . 1 . . . . 48 LEU MD2 . 17301 1 409 . 1 1 47 47 LEU HD23 H 1 0.531 0.02 . 1 . . . . 48 LEU MD2 . 17301 1 410 . 1 1 47 47 LEU N N 15 125.439 0.2 . 1 . . . . 48 LEU N . 17301 1 411 . 1 1 48 48 LEU H H 1 9.070 0.02 . 1 . . . . 49 LEU H . 17301 1 412 . 1 1 48 48 LEU HA H 1 5.023 0.02 . 1 . . . . 49 LEU HA . 17301 1 413 . 1 1 48 48 LEU HB2 H 1 1.686 0.02 . 1 . . . . 49 LEU HB2 . 17301 1 414 . 1 1 48 48 LEU HB3 H 1 1.686 0.02 . 1 . . . . 49 LEU HB3 . 17301 1 415 . 1 1 48 48 LEU HG H 1 1.469 0.02 . 1 . . . . 49 LEU HG . 17301 1 416 . 1 1 48 48 LEU HD11 H 1 1.239 0.02 . 1 . . . . 49 LEU MD1 . 17301 1 417 . 1 1 48 48 LEU HD12 H 1 1.239 0.02 . 1 . . . . 49 LEU MD1 . 17301 1 418 . 1 1 48 48 LEU HD13 H 1 1.239 0.02 . 1 . . . . 49 LEU MD1 . 17301 1 419 . 1 1 48 48 LEU HD21 H 1 1.117 0.02 . 1 . . . . 49 LEU MD2 . 17301 1 420 . 1 1 48 48 LEU HD22 H 1 1.117 0.02 . 1 . . . . 49 LEU MD2 . 17301 1 421 . 1 1 48 48 LEU HD23 H 1 1.117 0.02 . 1 . . . . 49 LEU MD2 . 17301 1 422 . 1 1 48 48 LEU N N 15 113.491 0.2 . 1 . . . . 49 LEU N . 17301 1 423 . 1 1 49 49 LYS H H 1 8.288 0.02 . 1 . . . . 50 LYS H . 17301 1 424 . 1 1 49 49 LYS HA H 1 4.398 0.02 . 1 . . . . 50 LYS HA . 17301 1 425 . 1 1 49 49 LYS HB2 H 1 1.802 0.02 . 1 . . . . 50 LYS HB2 . 17301 1 426 . 1 1 49 49 LYS HB3 H 1 1.777 0.02 . 1 . . . . 50 LYS HB3 . 17301 1 427 . 1 1 49 49 LYS HG2 H 1 1.178 0.02 . 1 . . . . 50 LYS HG2 . 17301 1 428 . 1 1 49 49 LYS HG3 H 1 1.178 0.02 . 1 . . . . 50 LYS HG3 . 17301 1 429 . 1 1 49 49 LYS HD2 H 1 1.579 0.02 . 1 . . . . 50 LYS HD2 . 17301 1 430 . 1 1 49 49 LYS HD3 H 1 1.446 0.02 . 1 . . . . 50 LYS HD3 . 17301 1 431 . 1 1 49 49 LYS HE2 H 1 2.995 0.02 . 1 . . . . 50 LYS HE2 . 17301 1 432 . 1 1 49 49 LYS HE3 H 1 2.995 0.02 . 1 . . . . 50 LYS HE3 . 17301 1 433 . 1 1 49 49 LYS N N 15 125.014 0.2 . 1 . . . . 50 LYS N . 17301 1 434 . 1 1 50 50 GLU H H 1 7.989 0.02 . 1 . . . . 51 GLU H . 17301 1 435 . 1 1 50 50 GLU HA H 1 4.416 0.02 . 1 . . . . 51 GLU HA . 17301 1 436 . 1 1 50 50 GLU HB2 H 1 1.404 0.02 . 1 . . . . 51 GLU HB2 . 17301 1 437 . 1 1 50 50 GLU HB3 H 1 1.404 0.02 . 1 . . . . 51 GLU HB3 . 17301 1 438 . 1 1 50 50 GLU HG2 H 1 1.821 0.02 . 1 . . . . 51 GLU HG2 . 17301 1 439 . 1 1 50 50 GLU HG3 H 1 1.679 0.02 . 1 . . . . 51 GLU HG3 . 17301 1 440 . 1 1 50 50 GLU N N 15 122.864 0.2 . 1 . . . . 51 GLU N . 17301 1 441 . 1 1 51 51 PRO HA H 1 4.311 0.02 . 1 . . . . 52 PRO HA . 17301 1 442 . 1 1 51 51 PRO HB2 H 1 2.153 0.02 . 1 . . . . 52 PRO HB2 . 17301 1 443 . 1 1 51 51 PRO HB3 H 1 1.795 0.02 . 1 . . . . 52 PRO HB3 . 17301 1 444 . 1 1 51 51 PRO HG2 H 1 1.919 0.02 . 1 . . . . 52 PRO HG2 . 17301 1 445 . 1 1 51 51 PRO HG3 H 1 1.919 0.02 . 1 . . . . 52 PRO HG3 . 17301 1 446 . 1 1 51 51 PRO HD2 H 1 3.667 0.02 . 1 . . . . 52 PRO HD2 . 17301 1 447 . 1 1 51 51 PRO HD3 H 1 3.524 0.02 . 1 . . . . 52 PRO HD3 . 17301 1 448 . 1 1 52 52 TRP H H 1 7.599 0.02 . 1 . . . . 53 TRP H . 17301 1 449 . 1 1 52 52 TRP HA H 1 4.669 0.02 . 1 . . . . 53 TRP HA . 17301 1 450 . 1 1 52 52 TRP HB2 H 1 3.288 0.02 . 1 . . . . 53 TRP HB2 . 17301 1 451 . 1 1 52 52 TRP HB3 H 1 3.288 0.02 . 1 . . . . 53 TRP HB3 . 17301 1 452 . 1 1 52 52 TRP HD1 H 1 7.215 0.02 . 1 . . . . 53 TRP HD1 . 17301 1 453 . 1 1 52 52 TRP HE1 H 1 10.163 0.02 . 1 . . . . 53 TRP HE1 . 17301 1 454 . 1 1 52 52 TRP HE3 H 1 7.645 0.02 . 1 . . . . 53 TRP HE3 . 17301 1 455 . 1 1 52 52 TRP HZ2 H 1 7.493 0.02 . 1 . . . . 53 TRP HZ2 . 17301 1 456 . 1 1 52 52 TRP HZ3 H 1 7.137 0.02 . 1 . . . . 53 TRP HZ3 . 17301 1 457 . 1 1 52 52 TRP HH2 H 1 7.224 0.02 . 1 . . . . 53 TRP HH2 . 17301 1 458 . 1 1 52 52 TRP N N 15 119.344 0.2 . 1 . . . . 53 TRP N . 17301 1 459 . 1 1 52 52 TRP NE1 N 15 129.777 0.2 . 1 . . . . 53 TRP NE1 . 17301 1 460 . 1 1 53 53 LYS H H 1 7.350 0.02 . 1 . . . . 54 LYS H . 17301 1 461 . 1 1 53 53 LYS HA H 1 4.063 0.02 . 1 . . . . 54 LYS HA . 17301 1 462 . 1 1 53 53 LYS HB2 H 1 1.696 0.02 . 1 . . . . 54 LYS HB2 . 17301 1 463 . 1 1 53 53 LYS HB3 H 1 1.696 0.02 . 1 . . . . 54 LYS HB3 . 17301 1 464 . 1 1 53 53 LYS HG2 H 1 1.415 0.02 . 1 . . . . 54 LYS HG2 . 17301 1 465 . 1 1 53 53 LYS HG3 H 1 1.415 0.02 . 1 . . . . 54 LYS HG3 . 17301 1 466 . 1 1 53 53 LYS HD2 H 1 1.150 0.02 . 1 . . . . 54 LYS HD2 . 17301 1 467 . 1 1 53 53 LYS HD3 H 1 1.150 0.02 . 1 . . . . 54 LYS HD3 . 17301 1 468 . 1 1 53 53 LYS HE2 H 1 3.020 0.02 . 1 . . . . 54 LYS HE2 . 17301 1 469 . 1 1 53 53 LYS HE3 H 1 3.020 0.02 . 1 . . . . 54 LYS HE3 . 17301 1 470 . 1 1 53 53 LYS N N 15 127.575 0.2 . 1 . . . . 54 LYS N . 17301 1 stop_ save_