################################### # 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_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 50208 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'Chemical shifts of His6-Tagged CCL7' _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 $chem_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 '1D 1H' . . . 50208 1 2 '2D 1H-15N HSQC' . . . 50208 1 3 '3D 1H-15N TOCSY' . . . 50208 1 4 '3D 1H-15N NOESY' . . . 50208 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 2 $software_2 . . 50208 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_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.Ambiguity_set_ID _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 GLY H H 1 8.524 0.020 . 1 . . . . . -1 GLY H . 50208 1 2 . 1 . 1 8 8 GLY HA2 H 1 3.998 0.020 . 1 . . . . . -1 GLY HA2 . 50208 1 3 . 1 . 1 8 8 GLY HA3 H 1 3.998 0.020 . 1 . . . . . -1 GLY HA3 . 50208 1 4 . 1 . 1 8 8 GLY N N 15 110.735 0.3 . 1 . . . . . -1 GLY N . 50208 1 5 . 1 . 1 9 9 SER H H 1 8.321 0.020 . 1 . . . . . 0 SER H . 50208 1 6 . 1 . 1 9 9 SER HA H 1 4.485 0.020 . 1 . . . . . 0 SER HA . 50208 1 7 . 1 . 1 9 9 SER HB2 H 1 3.856 0.020 . 1 . . . . . 0 SER HB2 . 50208 1 8 . 1 . 1 9 9 SER HB3 H 1 3.856 0.020 . 1 . . . . . 0 SER HB3 . 50208 1 9 . 1 . 1 9 9 SER N N 15 115.737 0.3 . 1 . . . . . 0 SER N . 50208 1 10 . 1 . 1 10 10 GLN H H 1 8.369 0.020 . 1 . . . . . 1 GLN H . 50208 1 11 . 1 . 1 10 10 GLN HA H 1 4.667 0.020 . 1 . . . . . 1 GLN HA . 50208 1 12 . 1 . 1 10 10 GLN HB2 H 1 1.942 0.020 . 2 . . . . . 1 GLN HB2 . 50208 1 13 . 1 . 1 10 10 GLN HB3 H 1 2.090 0.020 . 2 . . . . . 1 GLN HB3 . 50208 1 14 . 1 . 1 10 10 GLN HG2 H 1 2.394 0.020 . 1 . . . . . 1 GLN HG2 . 50208 1 15 . 1 . 1 10 10 GLN HG3 H 1 2.394 0.020 . 1 . . . . . 1 GLN HG3 . 50208 1 16 . 1 . 1 10 10 GLN HE21 H 1 7.497 0.020 . 1 . . . . . 1 GLN HE21 . 50208 1 17 . 1 . 1 10 10 GLN HE22 H 1 6.830 0.020 . 1 . . . . . 1 GLN HE22 . 50208 1 18 . 1 . 1 10 10 GLN N N 15 122.890 0.3 . 1 . . . . . 1 GLN N . 50208 1 19 . 1 . 1 10 10 GLN NE2 N 15 112.186 0.3 . 1 . . . . . 1 GLN NE2 . 50208 1 20 . 1 . 1 12 12 VAL H H 1 8.281 0.020 . 1 . . . . . 3 VAL H . 50208 1 21 . 1 . 1 12 12 VAL HA H 1 4.108 0.020 . 1 . . . . . 3 VAL HA . 50208 1 22 . 1 . 1 12 12 VAL HB H 1 2.046 0.020 . 1 . . . . . 3 VAL HB . 50208 1 23 . 1 . 1 12 12 VAL HG11 H 1 0.970 0.020 . 2 . . . . . 3 VAL HG1 . 50208 1 24 . 1 . 1 12 12 VAL HG12 H 1 0.970 0.020 . 2 . . . . . 3 VAL HG1 . 50208 1 25 . 1 . 1 12 12 VAL HG13 H 1 0.970 0.020 . 2 . . . . . 3 VAL HG1 . 50208 1 26 . 1 . 1 12 12 VAL HG21 H 1 0.950 0.020 . 2 . . . . . 3 VAL HG2 . 50208 1 27 . 1 . 1 12 12 VAL HG22 H 1 0.950 0.020 . 2 . . . . . 3 VAL HG2 . 50208 1 28 . 1 . 1 12 12 VAL HG23 H 1 0.950 0.020 . 2 . . . . . 3 VAL HG2 . 50208 1 29 . 1 . 1 12 12 VAL N N 15 120.404 0.3 . 1 . . . . . 3 VAL N . 50208 1 30 . 1 . 1 13 13 GLY HA2 H 1 3.916 0.020 . 2 . . . . . 4 GLY HA2 . 50208 1 31 . 1 . 1 13 13 GLY HA3 H 1 4.014 0.020 . 2 . . . . . 4 GLY HA3 . 50208 1 32 . 1 . 1 13 13 GLY N N 15 112.427 0.3 . 1 . . . . . 4 GLY N . 50208 1 33 . 1 . 1 14 14 ILE H H 1 7.959 0.020 . 1 . . . . . 5 ILE H . 50208 1 34 . 1 . 1 14 14 ILE HA H 1 4.185 0.020 . 1 . . . . . 5 ILE HA . 50208 1 35 . 1 . 1 14 14 ILE HB H 1 1.837 0.020 . 1 . . . . . 5 ILE HB . 50208 1 36 . 1 . 1 14 14 ILE HG12 H 1 1.410 0.020 . 2 . . . . . 5 ILE HG12 . 50208 1 37 . 1 . 1 14 14 ILE HG13 H 1 1.160 0.020 . 2 . . . . . 5 ILE HG13 . 50208 1 38 . 1 . 1 14 14 ILE HG21 H 1 0.890 0.020 . 1 . . . . . 5 ILE HG2 . 50208 1 39 . 1 . 1 14 14 ILE HG22 H 1 0.890 0.020 . 1 . . . . . 5 ILE HG2 . 50208 1 40 . 1 . 1 14 14 ILE HG23 H 1 0.890 0.020 . 1 . . . . . 5 ILE HG2 . 50208 1 41 . 1 . 1 14 14 ILE HD11 H 1 0.830 0.020 . 1 . . . . . 5 ILE HD1 . 50208 1 42 . 1 . 1 14 14 ILE HD12 H 1 0.830 0.020 . 1 . . . . . 5 ILE HD1 . 50208 1 43 . 1 . 1 14 14 ILE HD13 H 1 0.830 0.020 . 1 . . . . . 5 ILE HD1 . 50208 1 44 . 1 . 1 14 14 ILE N N 15 119.730 0.3 . 1 . . . . . 5 ILE N . 50208 1 45 . 1 . 1 15 15 ASN H H 1 8.518 0.020 . 1 . . . . . 6 ASN H . 50208 1 46 . 1 . 1 15 15 ASN HA H 1 4.799 0.020 . 1 . . . . . 6 ASN HA . 50208 1 47 . 1 . 1 15 15 ASN HB2 H 1 2.890 0.020 . 2 . . . . . 6 ASN HB2 . 50208 1 48 . 1 . 1 15 15 ASN HB3 H 1 2.770 0.020 . 2 . . . . . 6 ASN HB3 . 50208 1 49 . 1 . 1 15 15 ASN HD21 H 1 7.561 0.020 . 1 . . . . . 6 ASN HD21 . 50208 1 50 . 1 . 1 15 15 ASN HD22 H 1 6.891 0.020 . 1 . . . . . 6 ASN HD22 . 50208 1 51 . 1 . 1 15 15 ASN N N 15 122.156 0.3 . 1 . . . . . 6 ASN N . 50208 1 52 . 1 . 1 15 15 ASN ND2 N 15 112.815 0.3 . 1 . . . . . 6 ASN ND2 . 50208 1 53 . 1 . 1 16 16 THR H H 1 8.165 0.020 . 1 . . . . . 7 THR H . 50208 1 54 . 1 . 1 16 16 THR HA H 1 4.360 0.020 . 1 . . . . . 7 THR HA . 50208 1 55 . 1 . 1 16 16 THR HB H 1 4.280 0.020 . 1 . . . . . 7 THR HB . 50208 1 56 . 1 . 1 16 16 THR HG21 H 1 1.193 0.020 . 1 . . . . . 7 THR HG2 . 50208 1 57 . 1 . 1 16 16 THR HG22 H 1 1.193 0.020 . 1 . . . . . 7 THR HG2 . 50208 1 58 . 1 . 1 16 16 THR HG23 H 1 1.193 0.020 . 1 . . . . . 7 THR HG2 . 50208 1 59 . 1 . 1 16 16 THR N N 15 114.359 0.3 . 1 . . . . . 7 THR N . 50208 1 60 . 1 . 1 17 17 SER H H 1 8.331 0.020 . 1 . . . . . 8 SER H . 50208 1 61 . 1 . 1 17 17 SER HA H 1 4.550 0.020 . 1 . . . . . 8 SER HA . 50208 1 62 . 1 . 1 17 17 SER HB2 H 1 3.930 0.020 . 2 . . . . . 8 SER HB2 . 50208 1 63 . 1 . 1 17 17 SER HB3 H 1 3.880 0.020 . 2 . . . . . 8 SER HB3 . 50208 1 64 . 1 . 1 17 17 SER N N 15 117.637 0.3 . 1 . . . . . 8 SER N . 50208 1 65 . 1 . 1 18 18 THR H H 1 8.399 0.020 . 1 . . . . . 9 THR H . 50208 1 66 . 1 . 1 18 18 THR HA H 1 4.360 0.020 . 1 . . . . . 9 THR HA . 50208 1 67 . 1 . 1 18 18 THR HB H 1 4.169 0.020 . 1 . . . . . 9 THR HB . 50208 1 68 . 1 . 1 18 18 THR HG21 H 1 1.150 0.020 . 1 . . . . . 9 THR HG2 . 50208 1 69 . 1 . 1 18 18 THR HG22 H 1 1.150 0.020 . 1 . . . . . 9 THR HG2 . 50208 1 70 . 1 . 1 18 18 THR HG23 H 1 1.150 0.020 . 1 . . . . . 9 THR HG2 . 50208 1 71 . 1 . 1 18 18 THR N N 15 116.966 0.3 . 1 . . . . . 9 THR N . 50208 1 72 . 1 . 1 19 19 THR H H 1 8.224 0.020 . 1 . . . . . 10 THR H . 50208 1 73 . 1 . 1 19 19 THR HA H 1 4.332 0.020 . 1 . . . . . 10 THR HA . 50208 1 74 . 1 . 1 19 19 THR HB H 1 4.140 0.020 . 1 . . . . . 10 THR HB . 50208 1 75 . 1 . 1 19 19 THR HG21 H 1 1.220 0.020 . 1 . . . . . 10 THR HG2 . 50208 1 76 . 1 . 1 19 19 THR HG22 H 1 1.220 0.020 . 1 . . . . . 10 THR HG2 . 50208 1 77 . 1 . 1 19 19 THR HG23 H 1 1.220 0.020 . 1 . . . . . 10 THR HG2 . 50208 1 78 . 1 . 1 19 19 THR N N 15 118.298 0.3 . 1 . . . . . 10 THR N . 50208 1 79 . 1 . 1 20 20 CYS H H 1 8.127 0.020 . 1 . . . . . 11 CYS H . 50208 1 80 . 1 . 1 20 20 CYS HA H 1 4.964 0.020 . 1 . . . . . 11 CYS HA . 50208 1 81 . 1 . 1 20 20 CYS HB2 H 1 2.764 0.020 . 2 . . . . . 11 CYS HB2 . 50208 1 82 . 1 . 1 20 20 CYS HB3 H 1 2.540 0.020 . 2 . . . . . 11 CYS HB3 . 50208 1 83 . 1 . 1 20 20 CYS N N 15 118.451 0.3 . 1 . . . . . 11 CYS N . 50208 1 84 . 1 . 1 21 21 CYS H H 1 8.317 0.020 . 1 . . . . . 12 CYS H . 50208 1 85 . 1 . 1 21 21 CYS HA H 1 4.610 0.020 . 1 . . . . . 12 CYS HA . 50208 1 86 . 1 . 1 21 21 CYS HB2 H 1 2.410 0.020 . 2 . . . . . 12 CYS HB2 . 50208 1 87 . 1 . 1 21 21 CYS HB3 H 1 2.720 0.020 . 2 . . . . . 12 CYS HB3 . 50208 1 88 . 1 . 1 21 21 CYS N N 15 118.581 0.3 . 1 . . . . . 12 CYS N . 50208 1 89 . 1 . 1 23 23 ARG H H 1 7.407 0.020 . 1 . . . . . 14 ARG H . 50208 1 90 . 1 . 1 23 23 ARG HA H 1 4.305 0.020 . 1 . . . . . 14 ARG HA . 50208 1 91 . 1 . 1 23 23 ARG HB2 H 1 1.767 0.020 . 2 . . . . . 14 ARG HB2 . 50208 1 92 . 1 . 1 23 23 ARG HB3 H 1 1.660 0.020 . 2 . . . . . 14 ARG HB3 . 50208 1 93 . 1 . 1 23 23 ARG HG2 H 1 1.500 0.020 . 2 . . . . . 14 ARG HG2 . 50208 1 94 . 1 . 1 23 23 ARG HG3 H 1 1.040 0.020 . 2 . . . . . 14 ARG HG3 . 50208 1 95 . 1 . 1 23 23 ARG HD2 H 1 3.184 0.020 . 1 . . . . . 14 ARG HD2 . 50208 1 96 . 1 . 1 23 23 ARG HD3 H 1 3.184 0.020 . 1 . . . . . 14 ARG HD3 . 50208 1 97 . 1 . 1 23 23 ARG HE H 1 7.180 0.020 . 1 . . . . . 14 ARG HE . 50208 1 98 . 1 . 1 23 23 ARG N N 15 118.893 0.3 . 1 . . . . . 14 ARG N . 50208 1 99 . 1 . 1 24 24 PHE H H 1 8.530 0.020 . 1 . . . . . 15 PHE H . 50208 1 100 . 1 . 1 24 24 PHE HA H 1 4.798 0.020 . 1 . . . . . 15 PHE HA . 50208 1 101 . 1 . 1 24 24 PHE HB2 H 1 2.900 0.020 . 2 . . . . . 15 PHE HB2 . 50208 1 102 . 1 . 1 24 24 PHE HB3 H 1 3.198 0.020 . 2 . . . . . 15 PHE HB3 . 50208 1 103 . 1 . 1 24 24 PHE HD1 H 1 7.030 0.020 . 1 . . . . . 15 PHE HD1 . 50208 1 104 . 1 . 1 24 24 PHE HD2 H 1 7.030 0.020 . 1 . . . . . 15 PHE HD2 . 50208 1 105 . 1 . 1 24 24 PHE HE1 H 1 7.200 0.020 . 1 . . . . . 15 PHE HE1 . 50208 1 106 . 1 . 1 24 24 PHE HE2 H 1 7.200 0.020 . 1 . . . . . 15 PHE HE2 . 50208 1 107 . 1 . 1 24 24 PHE HZ H 1 7.120 0.020 . 1 . . . . . 15 PHE HZ . 50208 1 108 . 1 . 1 24 24 PHE N N 15 121.139 0.3 . 1 . . . . . 15 PHE N . 50208 1 109 . 1 . 1 25 25 ILE H H 1 8.682 0.020 . 1 . . . . . 16 ILE H . 50208 1 110 . 1 . 1 25 25 ILE HA H 1 4.410 0.020 . 1 . . . . . 16 ILE HA . 50208 1 111 . 1 . 1 25 25 ILE HB H 1 2.180 0.020 . 1 . . . . . 16 ILE HB . 50208 1 112 . 1 . 1 25 25 ILE HG12 H 1 1.620 0.020 . 2 . . . . . 16 ILE HG12 . 50208 1 113 . 1 . 1 25 25 ILE HG13 H 1 1.730 0.020 . 2 . . . . . 16 ILE HG13 . 50208 1 114 . 1 . 1 25 25 ILE HG21 H 1 1.250 0.020 . 1 . . . . . 16 ILE HG2 . 50208 1 115 . 1 . 1 25 25 ILE HG22 H 1 1.250 0.020 . 1 . . . . . 16 ILE HG2 . 50208 1 116 . 1 . 1 25 25 ILE HG23 H 1 1.250 0.020 . 1 . . . . . 16 ILE HG2 . 50208 1 117 . 1 . 1 25 25 ILE HD11 H 1 1.050 0.020 . 1 . . . . . 16 ILE HD1 . 50208 1 118 . 1 . 1 25 25 ILE HD12 H 1 1.050 0.020 . 1 . . . . . 16 ILE HD1 . 50208 1 119 . 1 . 1 25 25 ILE HD13 H 1 1.050 0.020 . 1 . . . . . 16 ILE HD1 . 50208 1 120 . 1 . 1 25 25 ILE N N 15 121.993 0.3 . 1 . . . . . 16 ILE N . 50208 1 121 . 1 . 1 26 26 ASN H H 1 8.654 0.020 . 1 . . . . . 17 ASN H . 50208 1 122 . 1 . 1 26 26 ASN HA H 1 5.060 0.020 . 1 . . . . . 17 ASN HA . 50208 1 123 . 1 . 1 26 26 ASN HB2 H 1 2.940 0.020 . 1 . . . . . 17 ASN HB2 . 50208 1 124 . 1 . 1 26 26 ASN HB3 H 1 2.940 0.020 . 1 . . . . . 17 ASN HB3 . 50208 1 125 . 1 . 1 26 26 ASN HD21 H 1 7.659 0.020 . 1 . . . . . 17 ASN HD21 . 50208 1 126 . 1 . 1 26 26 ASN HD22 H 1 6.960 0.020 . 1 . . . . . 17 ASN HD22 . 50208 1 127 . 1 . 1 26 26 ASN N N 15 123.127 0.3 . 1 . . . . . 17 ASN N . 50208 1 128 . 1 . 1 26 26 ASN ND2 N 15 112.443 0.3 . 1 . . . . . 17 ASN ND2 . 50208 1 129 . 1 . 1 27 27 LYS H H 1 7.440 0.020 . 1 . . . . . 18 LYS H . 50208 1 130 . 1 . 1 27 27 LYS HA H 1 4.280 0.020 . 1 . . . . . 18 LYS HA . 50208 1 131 . 1 . 1 27 27 LYS HB2 H 1 1.710 0.020 . 2 . . . . . 18 LYS HB2 . 50208 1 132 . 1 . 1 27 27 LYS HB3 H 1 1.590 0.020 . 2 . . . . . 18 LYS HB3 . 50208 1 133 . 1 . 1 27 27 LYS HG2 H 1 1.290 0.020 . 1 . . . . . 18 LYS HG2 . 50208 1 134 . 1 . 1 27 27 LYS HG3 H 1 1.290 0.020 . 1 . . . . . 18 LYS HG3 . 50208 1 135 . 1 . 1 27 27 LYS HD2 H 1 1.590 0.020 . 1 . . . . . 18 LYS HD2 . 50208 1 136 . 1 . 1 27 27 LYS HD3 H 1 1.590 0.020 . 1 . . . . . 18 LYS HD3 . 50208 1 137 . 1 . 1 27 27 LYS HE2 H 1 2.950 0.020 . 1 . . . . . 18 LYS HE2 . 50208 1 138 . 1 . 1 27 27 LYS HE3 H 1 2.950 0.020 . 1 . . . . . 18 LYS HE3 . 50208 1 139 . 1 . 1 27 27 LYS N N 15 119.769 0.3 . 1 . . . . . 18 LYS N . 50208 1 140 . 1 . 1 28 28 LYS H H 1 7.696 0.020 . 1 . . . . . 19 LYS H . 50208 1 141 . 1 . 1 28 28 LYS HA H 1 2.490 0.020 . 1 . . . . . 19 LYS HA . 50208 1 142 . 1 . 1 28 28 LYS HB2 H 1 1.050 0.020 . 2 . . . . . 19 LYS HB2 . 50208 1 143 . 1 . 1 28 28 LYS HB3 H 1 0.990 0.020 . 2 . . . . . 19 LYS HB3 . 50208 1 144 . 1 . 1 28 28 LYS HG2 H 1 0.700 0.020 . 2 . . . . . 19 LYS HG2 . 50208 1 145 . 1 . 1 28 28 LYS HG3 H 1 0.530 0.020 . 2 . . . . . 19 LYS HG3 . 50208 1 146 . 1 . 1 28 28 LYS HD2 H 1 1.350 0.020 . 1 . . . . . 19 LYS HD2 . 50208 1 147 . 1 . 1 28 28 LYS HD3 H 1 1.350 0.020 . 1 . . . . . 19 LYS HD3 . 50208 1 148 . 1 . 1 28 28 LYS HE2 H 1 2.760 0.020 . 1 . . . . . 19 LYS HE2 . 50208 1 149 . 1 . 1 28 28 LYS HE3 H 1 2.760 0.020 . 1 . . . . . 19 LYS HE3 . 50208 1 150 . 1 . 1 28 28 LYS N N 15 120.622 0.3 . 1 . . . . . 19 LYS N . 50208 1 151 . 1 . 1 29 29 ILE H H 1 6.100 0.020 . 1 . . . . . 20 ILE H . 50208 1 152 . 1 . 1 29 29 ILE HA H 1 4.320 0.020 . 1 . . . . . 20 ILE HA . 50208 1 153 . 1 . 1 29 29 ILE HB H 1 1.640 0.020 . 1 . . . . . 20 ILE HB . 50208 1 154 . 1 . 1 29 29 ILE HG12 H 1 1.470 0.020 . 2 . . . . . 20 ILE HG12 . 50208 1 155 . 1 . 1 29 29 ILE HG13 H 1 1.050 0.020 . 2 . . . . . 20 ILE HG13 . 50208 1 156 . 1 . 1 29 29 ILE HG21 H 1 0.840 0.020 . 1 . . . . . 20 ILE HG2 . 50208 1 157 . 1 . 1 29 29 ILE HG22 H 1 0.840 0.020 . 1 . . . . . 20 ILE HG2 . 50208 1 158 . 1 . 1 29 29 ILE HG23 H 1 0.840 0.020 . 1 . . . . . 20 ILE HG2 . 50208 1 159 . 1 . 1 29 29 ILE HD11 H 1 0.830 0.020 . 1 . . . . . 20 ILE HD1 . 50208 1 160 . 1 . 1 29 29 ILE HD12 H 1 0.830 0.020 . 1 . . . . . 20 ILE HD1 . 50208 1 161 . 1 . 1 29 29 ILE HD13 H 1 0.830 0.020 . 1 . . . . . 20 ILE HD1 . 50208 1 162 . 1 . 1 29 29 ILE N N 15 122.500 0.3 . 1 . . . . . 20 ILE N . 50208 1 163 . 1 . 1 31 31 LYS H H 1 8.309 0.020 . 1 . . . . . 22 LYS H . 50208 1 164 . 1 . 1 31 31 LYS HA H 1 3.320 0.020 . 1 . . . . . 22 LYS HA . 50208 1 165 . 1 . 1 31 31 LYS HB2 H 1 1.364 0.020 . 2 . . . . . 22 LYS HB2 . 50208 1 166 . 1 . 1 31 31 LYS HB3 H 1 1.222 0.020 . 2 . . . . . 22 LYS HB3 . 50208 1 167 . 1 . 1 31 31 LYS HG2 H 1 0.690 0.020 . 2 . . . . . 22 LYS HG2 . 50208 1 168 . 1 . 1 31 31 LYS HG3 H 1 0.880 0.020 . 2 . . . . . 22 LYS HG3 . 50208 1 169 . 1 . 1 31 31 LYS HD2 H 1 1.090 0.020 . 2 . . . . . 22 LYS HD2 . 50208 1 170 . 1 . 1 31 31 LYS HD3 H 1 1.150 0.020 . 2 . . . . . 22 LYS HD3 . 50208 1 171 . 1 . 1 31 31 LYS HE2 H 1 2.500 0.020 . 1 . . . . . 22 LYS HE2 . 50208 1 172 . 1 . 1 31 31 LYS HE3 H 1 2.500 0.020 . 1 . . . . . 22 LYS HE3 . 50208 1 173 . 1 . 1 31 31 LYS N N 15 124.457 0.3 . 1 . . . . . 22 LYS N . 50208 1 174 . 1 . 1 32 32 GLN H H 1 8.613 0.020 . 1 . . . . . 23 GLN H . 50208 1 175 . 1 . 1 32 32 GLN HA H 1 4.171 0.020 . 1 . . . . . 23 GLN HA . 50208 1 176 . 1 . 1 32 32 GLN HB2 H 1 2.036 0.020 . 1 . . . . . 23 GLN HB2 . 50208 1 177 . 1 . 1 32 32 GLN HB3 H 1 2.036 0.020 . 1 . . . . . 23 GLN HB3 . 50208 1 178 . 1 . 1 32 32 GLN HG2 H 1 2.430 0.020 . 2 . . . . . 23 GLN HG2 . 50208 1 179 . 1 . 1 32 32 GLN HG3 H 1 2.370 0.020 . 2 . . . . . 23 GLN HG3 . 50208 1 180 . 1 . 1 32 32 GLN HE21 H 1 7.560 0.020 . 1 . . . . . 23 GLN HE21 . 50208 1 181 . 1 . 1 32 32 GLN HE22 H 1 6.890 0.020 . 1 . . . . . 23 GLN HE22 . 50208 1 182 . 1 . 1 32 32 GLN N N 15 116.350 0.3 . 1 . . . . . 23 GLN N . 50208 1 183 . 1 . 1 32 32 GLN NE2 N 15 111.200 0.3 . 1 . . . . . 23 GLN NE2 . 50208 1 184 . 1 . 1 33 33 ARG H H 1 7.798 0.020 . 1 . . . . . 24 ARG H . 50208 1 185 . 1 . 1 33 33 ARG HA H 1 4.318 0.020 . 1 . . . . . 24 ARG HA . 50208 1 186 . 1 . 1 33 33 ARG HB2 H 1 2.043 0.020 . 2 . . . . . 24 ARG HB2 . 50208 1 187 . 1 . 1 33 33 ARG HB3 H 1 1.780 0.020 . 2 . . . . . 24 ARG HB3 . 50208 1 188 . 1 . 1 33 33 ARG HG2 H 1 1.660 0.020 . 1 . . . . . 24 ARG HG2 . 50208 1 189 . 1 . 1 33 33 ARG HG3 H 1 1.660 0.020 . 1 . . . . . 24 ARG HG3 . 50208 1 190 . 1 . 1 33 33 ARG HD2 H 1 3.130 0.020 . 2 . . . . . 24 ARG HD2 . 50208 1 191 . 1 . 1 33 33 ARG HD3 H 1 3.220 0.020 . 2 . . . . . 24 ARG HD3 . 50208 1 192 . 1 . 1 33 33 ARG HE H 1 7.189 0.020 . 1 . . . . . 24 ARG HE . 50208 1 193 . 1 . 1 33 33 ARG N N 15 116.260 0.3 . 1 . . . . . 24 ARG N . 50208 1 194 . 1 . 1 33 33 ARG NE N 15 84.598 0.3 . 1 . . . . . 24 ARG NE . 50208 1 195 . 1 . 1 34 34 LEU H H 1 7.542 0.020 . 1 . . . . . 25 LEU H . 50208 1 196 . 1 . 1 34 34 LEU HA H 1 4.318 0.020 . 1 . . . . . 25 LEU HA . 50208 1 197 . 1 . 1 34 34 LEU HB2 H 1 1.896 0.020 . 2 . . . . . 25 LEU HB2 . 50208 1 198 . 1 . 1 34 34 LEU HB3 H 1 1.260 0.020 . 2 . . . . . 25 LEU HB3 . 50208 1 199 . 1 . 1 34 34 LEU HG H 1 1.560 0.020 . 1 . . . . . 25 LEU HG . 50208 1 200 . 1 . 1 34 34 LEU HD11 H 1 0.251 0.020 . 2 . . . . . 25 LEU HD1 . 50208 1 201 . 1 . 1 34 34 LEU HD12 H 1 0.251 0.020 . 2 . . . . . 25 LEU HD1 . 50208 1 202 . 1 . 1 34 34 LEU HD13 H 1 0.251 0.020 . 2 . . . . . 25 LEU HD1 . 50208 1 203 . 1 . 1 34 34 LEU HD21 H 1 0.504 0.020 . 2 . . . . . 25 LEU HD2 . 50208 1 204 . 1 . 1 34 34 LEU HD22 H 1 0.504 0.020 . 2 . . . . . 25 LEU HD2 . 50208 1 205 . 1 . 1 34 34 LEU HD23 H 1 0.504 0.020 . 2 . . . . . 25 LEU HD2 . 50208 1 206 . 1 . 1 34 34 LEU N N 15 119.131 0.3 . 1 . . . . . 25 LEU N . 50208 1 207 . 1 . 1 35 35 GLU H H 1 9.113 0.020 . 1 . . . . . 26 GLU H . 50208 1 208 . 1 . 1 35 35 GLU HA H 1 4.621 0.020 . 1 . . . . . 26 GLU HA . 50208 1 209 . 1 . 1 35 35 GLU HB2 H 1 1.930 0.020 . 2 . . . . . 26 GLU HB2 . 50208 1 210 . 1 . 1 35 35 GLU HB3 H 1 1.730 0.020 . 2 . . . . . 26 GLU HB3 . 50208 1 211 . 1 . 1 35 35 GLU HG2 H 1 2.210 0.020 . 1 . . . . . 26 GLU HG2 . 50208 1 212 . 1 . 1 35 35 GLU HG3 H 1 2.210 0.020 . 1 . . . . . 26 GLU HG3 . 50208 1 213 . 1 . 1 35 35 GLU N N 15 120.295 0.3 . 1 . . . . . 26 GLU N . 50208 1 214 . 1 . 1 36 36 SER H H 1 8.042 0.020 . 1 . . . . . 27 SER H . 50208 1 215 . 1 . 1 36 36 SER HA H 1 4.785 0.020 . 1 . . . . . 27 SER HA . 50208 1 216 . 1 . 1 36 36 SER HB2 H 1 4.020 0.020 . 2 . . . . . 27 SER HB2 . 50208 1 217 . 1 . 1 36 36 SER HB3 H 1 4.080 0.020 . 2 . . . . . 27 SER HB3 . 50208 1 218 . 1 . 1 36 36 SER N N 15 109.150 0.3 . 1 . . . . . 27 SER N . 50208 1 219 . 1 . 1 37 37 TYR H H 1 8.608 0.020 . 1 . . . . . 28 TYR H . 50208 1 220 . 1 . 1 37 37 TYR HA H 1 5.730 0.020 . 1 . . . . . 28 TYR HA . 50208 1 221 . 1 . 1 37 37 TYR HB2 H 1 2.420 0.020 . 2 . . . . . 28 TYR HB2 . 50208 1 222 . 1 . 1 37 37 TYR HB3 H 1 2.900 0.020 . 2 . . . . . 28 TYR HB3 . 50208 1 223 . 1 . 1 37 37 TYR HD1 H 1 6.770 0.020 . 1 . . . . . 28 TYR HD1 . 50208 1 224 . 1 . 1 37 37 TYR HD2 H 1 6.770 0.020 . 1 . . . . . 28 TYR HD2 . 50208 1 225 . 1 . 1 37 37 TYR HE1 H 1 6.860 0.020 . 1 . . . . . 28 TYR HE1 . 50208 1 226 . 1 . 1 37 37 TYR HE2 H 1 6.860 0.020 . 1 . . . . . 28 TYR HE2 . 50208 1 227 . 1 . 1 37 37 TYR N N 15 115.680 0.3 . 1 . . . . . 28 TYR N . 50208 1 228 . 1 . 1 38 38 ARG H H 1 8.535 0.020 . 1 . . . . . 29 ARG H . 50208 1 229 . 1 . 1 38 38 ARG HA H 1 4.580 0.020 . 1 . . . . . 29 ARG HA . 50208 1 230 . 1 . 1 38 38 ARG HB2 H 1 1.822 0.020 . 2 . . . . . 29 ARG HB2 . 50208 1 231 . 1 . 1 38 38 ARG HB3 H 1 1.670 0.020 . 2 . . . . . 29 ARG HB3 . 50208 1 232 . 1 . 1 38 38 ARG HG2 H 1 1.350 0.020 . 1 . . . . . 29 ARG HG2 . 50208 1 233 . 1 . 1 38 38 ARG HG3 H 1 1.350 0.020 . 1 . . . . . 29 ARG HG3 . 50208 1 234 . 1 . 1 38 38 ARG HD2 H 1 3.050 0.020 . 2 . . . . . 29 ARG HD2 . 50208 1 235 . 1 . 1 38 38 ARG HD3 H 1 3.170 0.020 . 2 . . . . . 29 ARG HD3 . 50208 1 236 . 1 . 1 38 38 ARG HE H 1 7.496 0.020 . 1 . . . . . 29 ARG HE . 50208 1 237 . 1 . 1 38 38 ARG N N 15 117.238 0.3 . 1 . . . . . 29 ARG N . 50208 1 238 . 1 . 1 38 38 ARG NE N 15 85.375 0.3 . 1 . . . . . 29 ARG NE . 50208 1 239 . 1 . 1 39 39 ARG H H 1 8.849 0.020 . 1 . . . . . 30 ARG H . 50208 1 240 . 1 . 1 39 39 ARG HA H 1 5.180 0.020 . 1 . . . . . 30 ARG HA . 50208 1 241 . 1 . 1 39 39 ARG HB2 H 1 1.730 0.020 . 2 . . . . . 30 ARG HB2 . 50208 1 242 . 1 . 1 39 39 ARG HB3 H 1 2.071 0.020 . 2 . . . . . 30 ARG HB3 . 50208 1 243 . 1 . 1 39 39 ARG HG2 H 1 1.800 0.020 . 2 . . . . . 30 ARG HG2 . 50208 1 244 . 1 . 1 39 39 ARG HG3 H 1 1.650 0.020 . 2 . . . . . 30 ARG HG3 . 50208 1 245 . 1 . 1 39 39 ARG HD2 H 1 3.270 0.020 . 1 . . . . . 30 ARG HD2 . 50208 1 246 . 1 . 1 39 39 ARG HD3 H 1 3.270 0.020 . 1 . . . . . 30 ARG HD3 . 50208 1 247 . 1 . 1 39 39 ARG HE H 1 7.406 0.020 . 1 . . . . . 30 ARG HE . 50208 1 248 . 1 . 1 39 39 ARG N N 15 121.032 0.3 . 1 . . . . . 30 ARG N . 50208 1 249 . 1 . 1 39 39 ARG NE N 15 84.294 0.3 . 1 . . . . . 30 ARG NE . 50208 1 250 . 1 . 1 40 40 THR H H 1 8.398 0.020 . 1 . . . . . 31 THR H . 50208 1 251 . 1 . 1 40 40 THR HA H 1 4.600 0.020 . 1 . . . . . 31 THR HA . 50208 1 252 . 1 . 1 40 40 THR HB H 1 4.590 0.020 . 1 . . . . . 31 THR HB . 50208 1 253 . 1 . 1 40 40 THR HG21 H 1 1.240 0.020 . 1 . . . . . 31 THR HG2 . 50208 1 254 . 1 . 1 40 40 THR HG22 H 1 1.240 0.020 . 1 . . . . . 31 THR HG2 . 50208 1 255 . 1 . 1 40 40 THR HG23 H 1 1.240 0.020 . 1 . . . . . 31 THR HG2 . 50208 1 256 . 1 . 1 40 40 THR N N 15 113.152 0.3 . 1 . . . . . 31 THR N . 50208 1 257 . 1 . 1 41 41 THR H H 1 8.303 0.020 . 1 . . . . . 32 THR H . 50208 1 258 . 1 . 1 41 41 THR HA H 1 4.510 0.020 . 1 . . . . . 32 THR HA . 50208 1 259 . 1 . 1 41 41 THR HB H 1 4.309 0.020 . 1 . . . . . 32 THR HB . 50208 1 260 . 1 . 1 41 41 THR HG21 H 1 1.210 0.020 . 1 . . . . . 32 THR HG2 . 50208 1 261 . 1 . 1 41 41 THR HG22 H 1 1.210 0.020 . 1 . . . . . 32 THR HG2 . 50208 1 262 . 1 . 1 41 41 THR HG23 H 1 1.210 0.020 . 1 . . . . . 32 THR HG2 . 50208 1 263 . 1 . 1 41 41 THR N N 15 113.972 0.3 . 1 . . . . . 32 THR N . 50208 1 264 . 1 . 1 42 42 SER H H 1 8.417 0.020 . 1 . . . . . 33 SER H . 50208 1 265 . 1 . 1 42 42 SER HA H 1 4.500 0.020 . 1 . . . . . 33 SER HA . 50208 1 266 . 1 . 1 42 42 SER HB2 H 1 4.020 0.020 . 2 . . . . . 33 SER HB2 . 50208 1 267 . 1 . 1 42 42 SER HB3 H 1 3.910 0.020 . 2 . . . . . 33 SER HB3 . 50208 1 268 . 1 . 1 42 42 SER N N 15 117.750 0.3 . 1 . . . . . 33 SER N . 50208 1 269 . 1 . 1 43 43 SER H H 1 8.505 0.020 . 1 . . . . . 34 SER H . 50208 1 270 . 1 . 1 43 43 SER HA H 1 4.320 0.020 . 1 . . . . . 34 SER HA . 50208 1 271 . 1 . 1 43 43 SER HB2 H 1 3.860 0.020 . 1 . . . . . 34 SER HB2 . 50208 1 272 . 1 . 1 43 43 SER HB3 H 1 3.860 0.020 . 1 . . . . . 34 SER HB3 . 50208 1 273 . 1 . 1 43 43 SER N N 15 119.348 0.3 . 1 . . . . . 34 SER N . 50208 1 274 . 1 . 1 44 44 HIS H H 1 8.136 0.020 . 1 . . . . . 35 HIS H . 50208 1 275 . 1 . 1 44 44 HIS HA H 1 4.690 0.020 . 1 . . . . . 35 HIS HA . 50208 1 276 . 1 . 1 44 44 HIS HB2 H 1 3.110 0.020 . 2 . . . . . 35 HIS HB2 . 50208 1 277 . 1 . 1 44 44 HIS HB3 H 1 3.350 0.020 . 2 . . . . . 35 HIS HB3 . 50208 1 278 . 1 . 1 44 44 HIS N N 15 116.783 0.3 . 1 . . . . . 35 HIS N . 50208 1 279 . 1 . 1 45 45 CYS H H 1 7.674 0.020 . 1 . . . . . 36 CYS H . 50208 1 280 . 1 . 1 45 45 CYS HA H 1 5.180 0.020 . 1 . . . . . 36 CYS HA . 50208 1 281 . 1 . 1 45 45 CYS HB2 H 1 2.680 0.020 . 2 . . . . . 36 CYS HB2 . 50208 1 282 . 1 . 1 45 45 CYS HB3 H 1 3.360 0.020 . 2 . . . . . 36 CYS HB3 . 50208 1 283 . 1 . 1 45 45 CYS N N 15 117.904 0.3 . 1 . . . . . 36 CYS N . 50208 1 284 . 1 . 1 47 47 ARG H H 1 7.150 0.020 . 1 . . . . . 38 ARG H . 50208 1 285 . 1 . 1 47 47 ARG HA H 1 4.541 0.020 . 1 . . . . . 38 ARG HA . 50208 1 286 . 1 . 1 47 47 ARG HB2 H 1 1.693 0.020 . 2 . . . . . 38 ARG HB2 . 50208 1 287 . 1 . 1 47 47 ARG HB3 H 1 1.882 0.020 . 2 . . . . . 38 ARG HB3 . 50208 1 288 . 1 . 1 47 47 ARG HG2 H 1 1.530 0.020 . 1 . . . . . 38 ARG HG2 . 50208 1 289 . 1 . 1 47 47 ARG HG3 H 1 1.530 0.020 . 1 . . . . . 38 ARG HG3 . 50208 1 290 . 1 . 1 47 47 ARG HD2 H 1 3.036 0.020 . 1 . . . . . 38 ARG HD2 . 50208 1 291 . 1 . 1 47 47 ARG HD3 H 1 3.036 0.020 . 1 . . . . . 38 ARG HD3 . 50208 1 292 . 1 . 1 47 47 ARG HE H 1 7.124 0.020 . 1 . . . . . 38 ARG HE . 50208 1 293 . 1 . 1 47 47 ARG N N 15 113.124 0.3 . 1 . . . . . 38 ARG N . 50208 1 294 . 1 . 1 47 47 ARG NE N 15 84.099 0.3 . 1 . . . . . 38 ARG NE . 50208 1 295 . 1 . 1 48 48 GLU H H 1 8.613 0.020 . 1 . . . . . 39 GLU H . 50208 1 296 . 1 . 1 48 48 GLU HA H 1 4.090 0.020 . 1 . . . . . 39 GLU HA . 50208 1 297 . 1 . 1 48 48 GLU HB2 H 1 1.940 0.020 . 1 . . . . . 39 GLU HB2 . 50208 1 298 . 1 . 1 48 48 GLU HB3 H 1 1.940 0.020 . 1 . . . . . 39 GLU HB3 . 50208 1 299 . 1 . 1 48 48 GLU HG2 H 1 2.310 0.020 . 2 . . . . . 39 GLU HG2 . 50208 1 300 . 1 . 1 48 48 GLU HG3 H 1 2.180 0.020 . 2 . . . . . 39 GLU HG3 . 50208 1 301 . 1 . 1 48 48 GLU N N 15 123.851 0.3 . 1 . . . . . 39 GLU N . 50208 1 302 . 1 . 1 49 49 ALA H H 1 8.090 0.020 . 1 . . . . . 40 ALA H . 50208 1 303 . 1 . 1 49 49 ALA HA H 1 4.970 0.020 . 1 . . . . . 40 ALA HA . 50208 1 304 . 1 . 1 49 49 ALA HB1 H 1 1.570 0.020 . 1 . . . . . 40 ALA HB . 50208 1 305 . 1 . 1 49 49 ALA HB2 H 1 1.570 0.020 . 1 . . . . . 40 ALA HB . 50208 1 306 . 1 . 1 49 49 ALA HB3 H 1 1.570 0.020 . 1 . . . . . 40 ALA HB . 50208 1 307 . 1 . 1 49 49 ALA N N 15 122.772 0.3 . 1 . . . . . 40 ALA N . 50208 1 308 . 1 . 1 50 50 VAL H H 1 8.396 0.020 . 1 . . . . . 41 VAL H . 50208 1 309 . 1 . 1 50 50 VAL HA H 1 4.449 0.020 . 1 . . . . . 41 VAL HA . 50208 1 310 . 1 . 1 50 50 VAL HB H 1 1.360 0.020 . 1 . . . . . 41 VAL HB . 50208 1 311 . 1 . 1 50 50 VAL HG11 H 1 0.600 0.020 . 2 . . . . . 41 VAL HG1 . 50208 1 312 . 1 . 1 50 50 VAL HG12 H 1 0.600 0.020 . 2 . . . . . 41 VAL HG1 . 50208 1 313 . 1 . 1 50 50 VAL HG13 H 1 0.600 0.020 . 2 . . . . . 41 VAL HG1 . 50208 1 314 . 1 . 1 50 50 VAL HG21 H 1 0.099 0.020 . 2 . . . . . 41 VAL HG2 . 50208 1 315 . 1 . 1 50 50 VAL HG22 H 1 0.099 0.020 . 2 . . . . . 41 VAL HG2 . 50208 1 316 . 1 . 1 50 50 VAL HG23 H 1 0.099 0.020 . 2 . . . . . 41 VAL HG2 . 50208 1 317 . 1 . 1 50 50 VAL N N 15 119.835 0.3 . 1 . . . . . 41 VAL N . 50208 1 318 . 1 . 1 51 51 ILE H H 1 8.958 0.020 . 1 . . . . . 42 ILE H . 50208 1 319 . 1 . 1 51 51 ILE HA H 1 4.915 0.020 . 1 . . . . . 42 ILE HA . 50208 1 320 . 1 . 1 51 51 ILE HB H 1 1.620 0.020 . 1 . . . . . 42 ILE HB . 50208 1 321 . 1 . 1 51 51 ILE HG12 H 1 1.410 0.020 . 2 . . . . . 42 ILE HG12 . 50208 1 322 . 1 . 1 51 51 ILE HG13 H 1 0.900 0.020 . 2 . . . . . 42 ILE HG13 . 50208 1 323 . 1 . 1 51 51 ILE HG21 H 1 0.740 0.020 . 1 . . . . . 42 ILE HG2 . 50208 1 324 . 1 . 1 51 51 ILE HG22 H 1 0.740 0.020 . 1 . . . . . 42 ILE HG2 . 50208 1 325 . 1 . 1 51 51 ILE HG23 H 1 0.740 0.020 . 1 . . . . . 42 ILE HG2 . 50208 1 326 . 1 . 1 51 51 ILE HD11 H 1 0.650 0.020 . 1 . . . . . 42 ILE HD1 . 50208 1 327 . 1 . 1 51 51 ILE HD12 H 1 0.650 0.020 . 1 . . . . . 42 ILE HD1 . 50208 1 328 . 1 . 1 51 51 ILE HD13 H 1 0.650 0.020 . 1 . . . . . 42 ILE HD1 . 50208 1 329 . 1 . 1 51 51 ILE N N 15 124.884 0.3 . 1 . . . . . 42 ILE N . 50208 1 330 . 1 . 1 52 52 PHE H H 1 9.305 0.020 . 1 . . . . . 43 PHE H . 50208 1 331 . 1 . 1 52 52 PHE HA H 1 5.290 0.020 . 1 . . . . . 43 PHE HA . 50208 1 332 . 1 . 1 52 52 PHE HB2 H 1 2.930 0.020 . 2 . . . . . 43 PHE HB2 . 50208 1 333 . 1 . 1 52 52 PHE HB3 H 1 3.130 0.020 . 2 . . . . . 43 PHE HB3 . 50208 1 334 . 1 . 1 52 52 PHE HD1 H 1 7.240 0.020 . 1 . . . . . 43 PHE HD1 . 50208 1 335 . 1 . 1 52 52 PHE HD2 H 1 7.240 0.020 . 1 . . . . . 43 PHE HD2 . 50208 1 336 . 1 . 1 52 52 PHE HE1 H 1 6.910 0.020 . 1 . . . . . 43 PHE HE1 . 50208 1 337 . 1 . 1 52 52 PHE HE2 H 1 6.910 0.020 . 1 . . . . . 43 PHE HE2 . 50208 1 338 . 1 . 1 52 52 PHE HZ H 1 7.260 0.020 . 1 . . . . . 43 PHE HZ . 50208 1 339 . 1 . 1 52 52 PHE N N 15 126.985 0.3 . 1 . . . . . 43 PHE N . 50208 1 340 . 1 . 1 53 53 LYS H H 1 8.944 0.020 . 1 . . . . . 44 LYS H . 50208 1 341 . 1 . 1 53 53 LYS HA H 1 5.337 0.020 . 1 . . . . . 44 LYS HA . 50208 1 342 . 1 . 1 53 53 LYS HB2 H 1 1.980 0.020 . 2 . . . . . 44 LYS HB2 . 50208 1 343 . 1 . 1 53 53 LYS HB3 H 1 1.850 0.020 . 2 . . . . . 44 LYS HB3 . 50208 1 344 . 1 . 1 53 53 LYS HG2 H 1 1.400 0.020 . 1 . . . . . 44 LYS HG2 . 50208 1 345 . 1 . 1 53 53 LYS HG3 H 1 1.400 0.020 . 1 . . . . . 44 LYS HG3 . 50208 1 346 . 1 . 1 53 53 LYS HD2 H 1 1.640 0.020 . 1 . . . . . 44 LYS HD2 . 50208 1 347 . 1 . 1 53 53 LYS HD3 H 1 1.640 0.020 . 1 . . . . . 44 LYS HD3 . 50208 1 348 . 1 . 1 53 53 LYS HE2 H 1 2.950 0.020 . 1 . . . . . 44 LYS HE2 . 50208 1 349 . 1 . 1 53 53 LYS HE3 H 1 2.950 0.020 . 1 . . . . . 44 LYS HE3 . 50208 1 350 . 1 . 1 53 53 LYS N N 15 122.331 0.3 . 1 . . . . . 44 LYS N . 50208 1 351 . 1 . 1 54 54 THR H H 1 9.020 0.020 . 1 . . . . . 45 THR H . 50208 1 352 . 1 . 1 54 54 THR HA H 1 5.177 0.020 . 1 . . . . . 45 THR HA . 50208 1 353 . 1 . 1 54 54 THR HB H 1 4.727 0.020 . 1 . . . . . 45 THR HB . 50208 1 354 . 1 . 1 54 54 THR HG21 H 1 1.198 0.020 . 1 . . . . . 45 THR HG2 . 50208 1 355 . 1 . 1 54 54 THR HG22 H 1 1.198 0.020 . 1 . . . . . 45 THR HG2 . 50208 1 356 . 1 . 1 54 54 THR HG23 H 1 1.198 0.020 . 1 . . . . . 45 THR HG2 . 50208 1 357 . 1 . 1 54 54 THR N N 15 116.428 0.3 . 1 . . . . . 45 THR N . 50208 1 358 . 1 . 1 55 55 LYS H H 1 8.627 0.020 . 1 . . . . . 46 LYS H . 50208 1 359 . 1 . 1 55 55 LYS HA H 1 4.210 0.020 . 1 . . . . . 46 LYS HA . 50208 1 360 . 1 . 1 55 55 LYS HB2 H 1 1.740 0.020 . 2 . . . . . 46 LYS HB2 . 50208 1 361 . 1 . 1 55 55 LYS HB3 H 1 2.030 0.020 . 2 . . . . . 46 LYS HB3 . 50208 1 362 . 1 . 1 55 55 LYS HG2 H 1 1.400 0.020 . 2 . . . . . 46 LYS HG2 . 50208 1 363 . 1 . 1 55 55 LYS HG3 H 1 1.500 0.020 . 2 . . . . . 46 LYS HG3 . 50208 1 364 . 1 . 1 55 55 LYS HD2 H 1 1.500 0.020 . 1 . . . . . 46 LYS HD2 . 50208 1 365 . 1 . 1 55 55 LYS HD3 H 1 1.500 0.020 . 1 . . . . . 46 LYS HD3 . 50208 1 366 . 1 . 1 55 55 LYS HE2 H 1 3.000 0.020 . 1 . . . . . 46 LYS HE2 . 50208 1 367 . 1 . 1 55 55 LYS HE3 H 1 3.000 0.020 . 1 . . . . . 46 LYS HE3 . 50208 1 368 . 1 . 1 55 55 LYS N N 15 119.542 0.3 . 1 . . . . . 46 LYS N . 50208 1 369 . 1 . 1 56 56 LEU H H 1 7.715 0.020 . 1 . . . . . 47 LEU H . 50208 1 370 . 1 . 1 56 56 LEU HA H 1 4.467 0.020 . 1 . . . . . 47 LEU HA . 50208 1 371 . 1 . 1 56 56 LEU HB2 H 1 1.783 0.020 . 2 . . . . . 47 LEU HB2 . 50208 1 372 . 1 . 1 56 56 LEU HB3 H 1 1.560 0.020 . 2 . . . . . 47 LEU HB3 . 50208 1 373 . 1 . 1 56 56 LEU HG H 1 1.590 0.020 . 1 . . . . . 47 LEU HG . 50208 1 374 . 1 . 1 56 56 LEU HD11 H 1 0.930 0.020 . 2 . . . . . 47 LEU HD1 . 50208 1 375 . 1 . 1 56 56 LEU HD12 H 1 0.930 0.020 . 2 . . . . . 47 LEU HD1 . 50208 1 376 . 1 . 1 56 56 LEU HD13 H 1 0.930 0.020 . 2 . . . . . 47 LEU HD1 . 50208 1 377 . 1 . 1 56 56 LEU HD21 H 1 0.870 0.020 . 2 . . . . . 47 LEU HD2 . 50208 1 378 . 1 . 1 56 56 LEU HD22 H 1 0.870 0.020 . 2 . . . . . 47 LEU HD2 . 50208 1 379 . 1 . 1 56 56 LEU HD23 H 1 0.870 0.020 . 2 . . . . . 47 LEU HD2 . 50208 1 380 . 1 . 1 56 56 LEU N N 15 117.667 0.3 . 1 . . . . . 47 LEU N . 50208 1 381 . 1 . 1 57 57 ASP H H 1 8.026 0.020 . 1 . . . . . 48 ASP H . 50208 1 382 . 1 . 1 57 57 ASP HA H 1 4.343 0.020 . 1 . . . . . 48 ASP HA . 50208 1 383 . 1 . 1 57 57 ASP HB2 H 1 3.007 0.020 . 2 . . . . . 48 ASP HB2 . 50208 1 384 . 1 . 1 57 57 ASP HB3 H 1 2.652 0.020 . 2 . . . . . 48 ASP HB3 . 50208 1 385 . 1 . 1 57 57 ASP N N 15 116.146 0.3 . 1 . . . . . 48 ASP N . 50208 1 386 . 1 . 1 58 58 LYS H H 1 7.398 0.020 . 1 . . . . . 49 LYS H . 50208 1 387 . 1 . 1 58 58 LYS HA H 1 4.561 0.020 . 1 . . . . . 49 LYS HA . 50208 1 388 . 1 . 1 58 58 LYS HB2 H 1 1.740 0.020 . 2 . . . . . 49 LYS HB2 . 50208 1 389 . 1 . 1 58 58 LYS HB3 H 1 1.820 0.020 . 2 . . . . . 49 LYS HB3 . 50208 1 390 . 1 . 1 58 58 LYS HG2 H 1 1.310 0.020 . 1 . . . . . 49 LYS HG2 . 50208 1 391 . 1 . 1 58 58 LYS HG3 H 1 1.310 0.020 . 1 . . . . . 49 LYS HG3 . 50208 1 392 . 1 . 1 58 58 LYS HD2 H 1 1.440 0.020 . 1 . . . . . 49 LYS HD2 . 50208 1 393 . 1 . 1 58 58 LYS HD3 H 1 1.440 0.020 . 1 . . . . . 49 LYS HD3 . 50208 1 394 . 1 . 1 58 58 LYS HE2 H 1 3.010 0.020 . 1 . . . . . 49 LYS HE2 . 50208 1 395 . 1 . 1 58 58 LYS HE3 H 1 3.010 0.020 . 1 . . . . . 49 LYS HE3 . 50208 1 396 . 1 . 1 58 58 LYS N N 15 117.192 0.3 . 1 . . . . . 49 LYS N . 50208 1 397 . 1 . 1 59 59 GLU H H 1 8.453 0.020 . 1 . . . . . 50 GLU H . 50208 1 398 . 1 . 1 59 59 GLU HA H 1 5.388 0.020 . 1 . . . . . 50 GLU HA . 50208 1 399 . 1 . 1 59 59 GLU HB2 H 1 1.960 0.020 . 2 . . . . . 50 GLU HB2 . 50208 1 400 . 1 . 1 59 59 GLU HB3 H 1 1.780 0.020 . 2 . . . . . 50 GLU HB3 . 50208 1 401 . 1 . 1 59 59 GLU HG2 H 1 2.000 0.020 . 2 . . . . . 50 GLU HG2 . 50208 1 402 . 1 . 1 59 59 GLU HG3 H 1 2.430 0.020 . 2 . . . . . 50 GLU HG3 . 50208 1 403 . 1 . 1 59 59 GLU N N 15 120.425 0.3 . 1 . . . . . 50 GLU N . 50208 1 404 . 1 . 1 60 60 ILE H H 1 9.149 0.020 . 1 . . . . . 51 ILE H . 50208 1 405 . 1 . 1 60 60 ILE HA H 1 4.495 0.020 . 1 . . . . . 51 ILE HA . 50208 1 406 . 1 . 1 60 60 ILE HB H 1 1.950 0.020 . 1 . . . . . 51 ILE HB . 50208 1 407 . 1 . 1 60 60 ILE HG12 H 1 1.230 0.020 . 2 . . . . . 51 ILE HG12 . 50208 1 408 . 1 . 1 60 60 ILE HG13 H 1 1.570 0.020 . 2 . . . . . 51 ILE HG13 . 50208 1 409 . 1 . 1 60 60 ILE HG21 H 1 1.120 0.020 . 1 . . . . . 51 ILE HG2 . 50208 1 410 . 1 . 1 60 60 ILE HG22 H 1 1.120 0.020 . 1 . . . . . 51 ILE HG2 . 50208 1 411 . 1 . 1 60 60 ILE HG23 H 1 1.120 0.020 . 1 . . . . . 51 ILE HG2 . 50208 1 412 . 1 . 1 60 60 ILE HD11 H 1 0.880 0.020 . 1 . . . . . 51 ILE HD1 . 50208 1 413 . 1 . 1 60 60 ILE HD12 H 1 0.880 0.020 . 1 . . . . . 51 ILE HD1 . 50208 1 414 . 1 . 1 60 60 ILE HD13 H 1 0.880 0.020 . 1 . . . . . 51 ILE HD1 . 50208 1 415 . 1 . 1 60 60 ILE N N 15 121.936 0.3 . 1 . . . . . 51 ILE N . 50208 1 416 . 1 . 1 61 61 CYS H H 1 8.841 0.020 . 1 . . . . . 52 CYS H . 50208 1 417 . 1 . 1 61 61 CYS HA H 1 5.060 0.020 . 1 . . . . . 52 CYS HA . 50208 1 418 . 1 . 1 61 61 CYS HB2 H 1 3.455 0.020 . 2 . . . . . 52 CYS HB2 . 50208 1 419 . 1 . 1 61 61 CYS HB3 H 1 2.798 0.020 . 2 . . . . . 52 CYS HB3 . 50208 1 420 . 1 . 1 61 61 CYS N N 15 125.890 0.3 . 1 . . . . . 52 CYS N . 50208 1 421 . 1 . 1 62 62 ALA H H 1 9.833 0.020 . 1 . . . . . 53 ALA H . 50208 1 422 . 1 . 1 62 62 ALA HA H 1 4.971 0.020 . 1 . . . . . 53 ALA HA . 50208 1 423 . 1 . 1 62 62 ALA HB1 H 1 1.320 0.020 . 1 . . . . . 53 ALA HB . 50208 1 424 . 1 . 1 62 62 ALA HB2 H 1 1.320 0.020 . 1 . . . . . 53 ALA HB . 50208 1 425 . 1 . 1 62 62 ALA HB3 H 1 1.320 0.020 . 1 . . . . . 53 ALA HB . 50208 1 426 . 1 . 1 62 62 ALA N N 15 127.119 0.3 . 1 . . . . . 53 ALA N . 50208 1 427 . 1 . 1 63 63 ASP H H 1 8.396 0.020 . 1 . . . . . 54 ASP H . 50208 1 428 . 1 . 1 63 63 ASP HA H 1 4.070 0.020 . 1 . . . . . 54 ASP HA . 50208 1 429 . 1 . 1 63 63 ASP HB2 H 1 2.600 0.020 . 2 . . . . . 54 ASP HB2 . 50208 1 430 . 1 . 1 63 63 ASP HB3 H 1 1.640 0.020 . 2 . . . . . 54 ASP HB3 . 50208 1 431 . 1 . 1 63 63 ASP N N 15 121.425 0.3 . 1 . . . . . 54 ASP N . 50208 1 432 . 1 . 1 65 65 THR H H 1 8.236 0.020 . 1 . . . . . 56 THR H . 50208 1 433 . 1 . 1 65 65 THR HA H 1 4.040 0.020 . 1 . . . . . 56 THR HA . 50208 1 434 . 1 . 1 65 65 THR HB H 1 4.200 0.020 . 1 . . . . . 56 THR HB . 50208 1 435 . 1 . 1 65 65 THR HG21 H 1 1.180 0.020 . 1 . . . . . 56 THR HG2 . 50208 1 436 . 1 . 1 65 65 THR HG22 H 1 1.180 0.020 . 1 . . . . . 56 THR HG2 . 50208 1 437 . 1 . 1 65 65 THR HG23 H 1 1.180 0.020 . 1 . . . . . 56 THR HG2 . 50208 1 438 . 1 . 1 65 65 THR N N 15 109.730 0.3 . 1 . . . . . 56 THR N . 50208 1 439 . 1 . 1 66 66 GLN H H 1 7.411 0.020 . 1 . . . . . 57 GLN H . 50208 1 440 . 1 . 1 66 66 GLN HA H 1 4.210 0.020 . 1 . . . . . 57 GLN HA . 50208 1 441 . 1 . 1 66 66 GLN HB2 H 1 1.650 0.020 . 2 . . . . . 57 GLN HB2 . 50208 1 442 . 1 . 1 66 66 GLN HB3 H 1 1.850 0.020 . 2 . . . . . 57 GLN HB3 . 50208 1 443 . 1 . 1 66 66 GLN HG2 H 1 2.370 0.020 . 2 . . . . . 57 GLN HG2 . 50208 1 444 . 1 . 1 66 66 GLN HG3 H 1 2.230 0.020 . 2 . . . . . 57 GLN HG3 . 50208 1 445 . 1 . 1 66 66 GLN HE21 H 1 7.366 0.020 . 1 . . . . . 57 GLN HE21 . 50208 1 446 . 1 . 1 66 66 GLN HE22 H 1 6.969 0.020 . 1 . . . . . 57 GLN HE22 . 50208 1 447 . 1 . 1 66 66 GLN N N 15 120.704 0.3 . 1 . . . . . 57 GLN N . 50208 1 448 . 1 . 1 66 66 GLN NE2 N 15 113.306 0.3 . 1 . . . . . 57 GLN NE2 . 50208 1 449 . 1 . 1 67 67 LYS H H 1 8.774 0.020 . 1 . . . . . 58 LYS H . 50208 1 450 . 1 . 1 67 67 LYS HA H 1 3.763 0.020 . 1 . . . . . 58 LYS HA . 50208 1 451 . 1 . 1 67 67 LYS HB2 H 1 1.920 0.020 . 1 . . . . . 58 LYS HB2 . 50208 1 452 . 1 . 1 67 67 LYS HB3 H 1 1.920 0.020 . 1 . . . . . 58 LYS HB3 . 50208 1 453 . 1 . 1 67 67 LYS HG2 H 1 1.473 0.020 . 1 . . . . . 58 LYS HG2 . 50208 1 454 . 1 . 1 67 67 LYS HG3 H 1 1.473 0.020 . 1 . . . . . 58 LYS HG3 . 50208 1 455 . 1 . 1 67 67 LYS HD2 H 1 1.750 0.020 . 2 . . . . . 58 LYS HD2 . 50208 1 456 . 1 . 1 67 67 LYS HD3 H 1 1.650 0.020 . 2 . . . . . 58 LYS HD3 . 50208 1 457 . 1 . 1 67 67 LYS HE2 H 1 3.060 0.020 . 1 . . . . . 58 LYS HE2 . 50208 1 458 . 1 . 1 67 67 LYS HE3 H 1 3.060 0.020 . 1 . . . . . 58 LYS HE3 . 50208 1 459 . 1 . 1 67 67 LYS N N 15 126.044 0.3 . 1 . . . . . 58 LYS N . 50208 1 460 . 1 . 1 68 68 TRP H H 1 8.279 0.020 . 1 . . . . . 59 TRP H . 50208 1 461 . 1 . 1 68 68 TRP HA H 1 4.282 0.020 . 1 . . . . . 59 TRP HA . 50208 1 462 . 1 . 1 68 68 TRP HB2 H 1 3.050 0.020 . 2 . . . . . 59 TRP HB2 . 50208 1 463 . 1 . 1 68 68 TRP HB3 H 1 3.010 0.020 . 2 . . . . . 59 TRP HB3 . 50208 1 464 . 1 . 1 68 68 TRP HD1 H 1 7.580 0.020 . 1 . . . . . 59 TRP HD1 . 50208 1 465 . 1 . 1 68 68 TRP HE1 H 1 10.009 0.020 . 1 . . . . . 59 TRP HE1 . 50208 1 466 . 1 . 1 68 68 TRP HE3 H 1 6.350 0.020 . 1 . . . . . 59 TRP HE3 . 50208 1 467 . 1 . 1 68 68 TRP HZ2 H 1 7.380 0.020 . 1 . . . . . 59 TRP HZ2 . 50208 1 468 . 1 . 1 68 68 TRP HZ3 H 1 6.510 0.020 . 1 . . . . . 59 TRP HZ3 . 50208 1 469 . 1 . 1 68 68 TRP HH2 H 1 6.940 0.020 . 1 . . . . . 59 TRP HH2 . 50208 1 470 . 1 . 1 68 68 TRP N N 15 115.568 0.3 . 1 . . . . . 59 TRP N . 50208 1 471 . 1 . 1 68 68 TRP NE1 N 15 129.477 0.3 . 1 . . . . . 59 TRP NE1 . 50208 1 472 . 1 . 1 69 69 VAL H H 1 5.700 0.020 . 1 . . . . . 60 VAL H . 50208 1 473 . 1 . 1 69 69 VAL HA H 1 2.790 0.020 . 1 . . . . . 60 VAL HA . 50208 1 474 . 1 . 1 69 69 VAL HB H 1 1.780 0.020 . 1 . . . . . 60 VAL HB . 50208 1 475 . 1 . 1 69 69 VAL HG11 H 1 -0.670 0.020 . 2 . . . . . 60 VAL HG1 . 50208 1 476 . 1 . 1 69 69 VAL HG12 H 1 -0.670 0.020 . 2 . . . . . 60 VAL HG1 . 50208 1 477 . 1 . 1 69 69 VAL HG13 H 1 -0.670 0.020 . 2 . . . . . 60 VAL HG1 . 50208 1 478 . 1 . 1 69 69 VAL HG21 H 1 0.420 0.020 . 2 . . . . . 60 VAL HG2 . 50208 1 479 . 1 . 1 69 69 VAL HG22 H 1 0.420 0.020 . 2 . . . . . 60 VAL HG2 . 50208 1 480 . 1 . 1 69 69 VAL HG23 H 1 0.420 0.020 . 2 . . . . . 60 VAL HG2 . 50208 1 481 . 1 . 1 69 69 VAL N N 15 122.600 0.3 . 1 . . . . . 60 VAL N . 50208 1 482 . 1 . 1 70 70 GLN H H 1 7.199 0.020 . 1 . . . . . 61 GLN H . 50208 1 483 . 1 . 1 70 70 GLN HA H 1 3.960 0.020 . 1 . . . . . 61 GLN HA . 50208 1 484 . 1 . 1 70 70 GLN HB2 H 1 2.140 0.020 . 2 . . . . . 61 GLN HB2 . 50208 1 485 . 1 . 1 70 70 GLN HB3 H 1 2.080 0.020 . 2 . . . . . 61 GLN HB3 . 50208 1 486 . 1 . 1 70 70 GLN HG2 H 1 2.400 0.020 . 2 . . . . . 61 GLN HG2 . 50208 1 487 . 1 . 1 70 70 GLN HG3 H 1 2.280 0.020 . 2 . . . . . 61 GLN HG3 . 50208 1 488 . 1 . 1 70 70 GLN HE21 H 1 6.604 0.020 . 1 . . . . . 61 GLN HE21 . 50208 1 489 . 1 . 1 70 70 GLN HE22 H 1 7.369 0.020 . 1 . . . . . 61 GLN HE22 . 50208 1 490 . 1 . 1 70 70 GLN N N 15 118.577 0.3 . 1 . . . . . 61 GLN N . 50208 1 491 . 1 . 1 70 70 GLN NE2 N 15 110.462 0.3 . 1 . . . . . 61 GLN NE2 . 50208 1 492 . 1 . 1 71 71 ASP H H 1 8.642 0.020 . 1 . . . . . 62 ASP H . 50208 1 493 . 1 . 1 71 71 ASP HA H 1 4.429 0.020 . 1 . . . . . 62 ASP HA . 50208 1 494 . 1 . 1 71 71 ASP HB2 H 1 2.880 0.020 . 2 . . . . . 62 ASP HB2 . 50208 1 495 . 1 . 1 71 71 ASP HB3 H 1 2.780 0.020 . 2 . . . . . 62 ASP HB3 . 50208 1 496 . 1 . 1 71 71 ASP N N 15 120.010 0.3 . 1 . . . . . 62 ASP N . 50208 1 497 . 1 . 1 72 72 PHE H H 1 8.551 0.020 . 1 . . . . . 63 PHE H . 50208 1 498 . 1 . 1 72 72 PHE HA H 1 4.550 0.020 . 1 . . . . . 63 PHE HA . 50208 1 499 . 1 . 1 72 72 PHE HB2 H 1 3.530 0.020 . 2 . . . . . 63 PHE HB2 . 50208 1 500 . 1 . 1 72 72 PHE HB3 H 1 2.900 0.020 . 2 . . . . . 63 PHE HB3 . 50208 1 501 . 1 . 1 72 72 PHE HD1 H 1 7.010 0.020 . 1 . . . . . 63 PHE HD1 . 50208 1 502 . 1 . 1 72 72 PHE HD2 H 1 7.010 0.020 . 1 . . . . . 63 PHE HD2 . 50208 1 503 . 1 . 1 72 72 PHE HE1 H 1 7.440 0.020 . 1 . . . . . 63 PHE HE1 . 50208 1 504 . 1 . 1 72 72 PHE HE2 H 1 7.440 0.020 . 1 . . . . . 63 PHE HE2 . 50208 1 505 . 1 . 1 72 72 PHE HZ H 1 7.380 0.020 . 1 . . . . . 63 PHE HZ . 50208 1 506 . 1 . 1 72 72 PHE N N 15 122.392 0.3 . 1 . . . . . 63 PHE N . 50208 1 507 . 1 . 1 73 73 MET H H 1 8.392 0.020 . 1 . . . . . 64 MET H . 50208 1 508 . 1 . 1 73 73 MET HA H 1 3.680 0.020 . 1 . . . . . 64 MET HA . 50208 1 509 . 1 . 1 73 73 MET HB2 H 1 2.390 0.020 . 2 . . . . . 64 MET HB2 . 50208 1 510 . 1 . 1 73 73 MET HB3 H 1 2.090 0.020 . 2 . . . . . 64 MET HB3 . 50208 1 511 . 1 . 1 73 73 MET HG2 H 1 2.280 0.020 . 2 . . . . . 64 MET HG2 . 50208 1 512 . 1 . 1 73 73 MET HG3 H 1 0.610 0.020 . 2 . . . . . 64 MET HG3 . 50208 1 513 . 1 . 1 73 73 MET HE1 H 1 1.790 0.020 . 1 . . . . . 64 MET HE . 50208 1 514 . 1 . 1 73 73 MET HE2 H 1 1.790 0.020 . 1 . . . . . 64 MET HE . 50208 1 515 . 1 . 1 73 73 MET HE3 H 1 1.790 0.020 . 1 . . . . . 64 MET HE . 50208 1 516 . 1 . 1 73 73 MET N N 15 119.547 0.3 . 1 . . . . . 64 MET N . 50208 1 517 . 1 . 1 74 74 LYS H H 1 7.627 0.020 . 1 . . . . . 65 LYS H . 50208 1 518 . 1 . 1 74 74 LYS HA H 1 4.129 0.020 . 1 . . . . . 65 LYS HA . 50208 1 519 . 1 . 1 74 74 LYS HB2 H 1 1.980 0.020 . 2 . . . . . 65 LYS HB2 . 50208 1 520 . 1 . 1 74 74 LYS HB3 H 1 1.770 0.020 . 2 . . . . . 65 LYS HB3 . 50208 1 521 . 1 . 1 74 74 LYS HG2 H 1 1.520 0.020 . 2 . . . . . 65 LYS HG2 . 50208 1 522 . 1 . 1 74 74 LYS HG3 H 1 1.660 0.020 . 2 . . . . . 65 LYS HG3 . 50208 1 523 . 1 . 1 74 74 LYS HD2 H 1 1.700 0.020 . 1 . . . . . 65 LYS HD2 . 50208 1 524 . 1 . 1 74 74 LYS HD3 H 1 1.700 0.020 . 1 . . . . . 65 LYS HD3 . 50208 1 525 . 1 . 1 74 74 LYS HE2 H 1 3.020 0.020 . 1 . . . . . 65 LYS HE2 . 50208 1 526 . 1 . 1 74 74 LYS HE3 H 1 3.020 0.020 . 1 . . . . . 65 LYS HE3 . 50208 1 527 . 1 . 1 74 74 LYS N N 15 116.788 0.3 . 1 . . . . . 65 LYS N . 50208 1 528 . 1 . 1 75 75 HIS H H 1 7.874 0.020 . 1 . . . . . 66 HIS H . 50208 1 529 . 1 . 1 75 75 HIS HA H 1 4.420 0.020 . 1 . . . . . 66 HIS HA . 50208 1 530 . 1 . 1 75 75 HIS HB2 H 1 3.444 0.020 . 2 . . . . . 66 HIS HB2 . 50208 1 531 . 1 . 1 75 75 HIS HB3 H 1 3.256 0.020 . 2 . . . . . 66 HIS HB3 . 50208 1 532 . 1 . 1 75 75 HIS HD2 H 1 6.700 0.020 . 1 . . . . . 66 HIS HD2 . 50208 1 533 . 1 . 1 75 75 HIS HE1 H 1 7.220 0.020 . 1 . . . . . 66 HIS HE1 . 50208 1 534 . 1 . 1 75 75 HIS N N 15 117.397 0.3 . 1 . . . . . 66 HIS N . 50208 1 535 . 1 . 1 76 76 LEU H H 1 8.131 0.020 . 1 . . . . . 67 LEU H . 50208 1 536 . 1 . 1 76 76 LEU HA H 1 4.097 0.020 . 1 . . . . . 67 LEU HA . 50208 1 537 . 1 . 1 76 76 LEU HB2 H 1 2.220 0.020 . 2 . . . . . 67 LEU HB2 . 50208 1 538 . 1 . 1 76 76 LEU HB3 H 1 1.760 0.020 . 2 . . . . . 67 LEU HB3 . 50208 1 539 . 1 . 1 76 76 LEU HG H 1 2.010 0.020 . 1 . . . . . 67 LEU HG . 50208 1 540 . 1 . 1 76 76 LEU HD11 H 1 1.110 0.020 . 2 . . . . . 67 LEU HD1 . 50208 1 541 . 1 . 1 76 76 LEU HD12 H 1 1.110 0.020 . 2 . . . . . 67 LEU HD1 . 50208 1 542 . 1 . 1 76 76 LEU HD13 H 1 1.110 0.020 . 2 . . . . . 67 LEU HD1 . 50208 1 543 . 1 . 1 76 76 LEU HD21 H 1 0.850 0.020 . 2 . . . . . 67 LEU HD2 . 50208 1 544 . 1 . 1 76 76 LEU HD22 H 1 0.850 0.020 . 2 . . . . . 67 LEU HD2 . 50208 1 545 . 1 . 1 76 76 LEU HD23 H 1 0.850 0.020 . 2 . . . . . 67 LEU HD2 . 50208 1 546 . 1 . 1 76 76 LEU N N 15 119.706 0.3 . 1 . . . . . 67 LEU N . 50208 1 547 . 1 . 1 77 77 ASP H H 1 8.598 0.020 . 1 . . . . . 68 ASP H . 50208 1 548 . 1 . 1 77 77 ASP HA H 1 4.589 0.020 . 1 . . . . . 68 ASP HA . 50208 1 549 . 1 . 1 77 77 ASP HB2 H 1 2.880 0.020 . 2 . . . . . 68 ASP HB2 . 50208 1 550 . 1 . 1 77 77 ASP HB3 H 1 2.760 0.020 . 2 . . . . . 68 ASP HB3 . 50208 1 551 . 1 . 1 77 77 ASP N N 15 121.152 0.3 . 1 . . . . . 68 ASP N . 50208 1 552 . 1 . 1 78 78 LYS H H 1 7.574 0.020 . 1 . . . . . 69 LYS H . 50208 1 553 . 1 . 1 78 78 LYS HA H 1 4.210 0.020 . 1 . . . . . 69 LYS HA . 50208 1 554 . 1 . 1 78 78 LYS HB2 H 1 1.860 0.020 . 2 . . . . . 69 LYS HB2 . 50208 1 555 . 1 . 1 78 78 LYS HB3 H 1 1.910 0.020 . 2 . . . . . 69 LYS HB3 . 50208 1 556 . 1 . 1 78 78 LYS HG2 H 1 1.480 0.020 . 1 . . . . . 69 LYS HG2 . 50208 1 557 . 1 . 1 78 78 LYS HG3 H 1 1.480 0.020 . 1 . . . . . 69 LYS HG3 . 50208 1 558 . 1 . 1 78 78 LYS HD2 H 1 1.580 0.020 . 1 . . . . . 69 LYS HD2 . 50208 1 559 . 1 . 1 78 78 LYS HD3 H 1 1.580 0.020 . 1 . . . . . 69 LYS HD3 . 50208 1 560 . 1 . 1 78 78 LYS HE2 H 1 3.020 0.020 . 1 . . . . . 69 LYS HE2 . 50208 1 561 . 1 . 1 78 78 LYS HE3 H 1 3.020 0.020 . 1 . . . . . 69 LYS HE3 . 50208 1 562 . 1 . 1 78 78 LYS N N 15 118.966 0.3 . 1 . . . . . 69 LYS N . 50208 1 563 . 1 . 1 79 79 LYS H H 1 7.873 0.020 . 1 . . . . . 70 LYS H . 50208 1 564 . 1 . 1 79 79 LYS HA H 1 4.290 0.020 . 1 . . . . . 70 LYS HA . 50208 1 565 . 1 . 1 79 79 LYS HB2 H 1 1.890 0.020 . 2 . . . . . 70 LYS HB2 . 50208 1 566 . 1 . 1 79 79 LYS HB3 H 1 1.820 0.020 . 2 . . . . . 70 LYS HB3 . 50208 1 567 . 1 . 1 79 79 LYS HG2 H 1 1.480 0.020 . 1 . . . . . 70 LYS HG2 . 50208 1 568 . 1 . 1 79 79 LYS HG3 H 1 1.480 0.020 . 1 . . . . . 70 LYS HG3 . 50208 1 569 . 1 . 1 79 79 LYS HD2 H 1 1.700 0.020 . 1 . . . . . 70 LYS HD2 . 50208 1 570 . 1 . 1 79 79 LYS HD3 H 1 1.700 0.020 . 1 . . . . . 70 LYS HD3 . 50208 1 571 . 1 . 1 79 79 LYS HE2 H 1 3.005 0.020 . 1 . . . . . 70 LYS HE2 . 50208 1 572 . 1 . 1 79 79 LYS HE3 H 1 3.005 0.020 . 1 . . . . . 70 LYS HE3 . 50208 1 573 . 1 . 1 79 79 LYS N N 15 120.248 0.3 . 1 . . . . . 70 LYS N . 50208 1 574 . 1 . 1 80 80 THR H H 1 7.959 0.020 . 1 . . . . . 71 THR H . 50208 1 575 . 1 . 1 80 80 THR HA H 1 4.350 0.020 . 1 . . . . . 71 THR HA . 50208 1 576 . 1 . 1 80 80 THR HB H 1 4.280 0.020 . 1 . . . . . 71 THR HB . 50208 1 577 . 1 . 1 80 80 THR HG21 H 1 1.260 0.020 . 1 . . . . . 71 THR HG2 . 50208 1 578 . 1 . 1 80 80 THR HG22 H 1 1.260 0.020 . 1 . . . . . 71 THR HG2 . 50208 1 579 . 1 . 1 80 80 THR HG23 H 1 1.260 0.020 . 1 . . . . . 71 THR HG2 . 50208 1 580 . 1 . 1 80 80 THR N N 15 113.405 0.3 . 1 . . . . . 71 THR N . 50208 1 581 . 1 . 1 81 81 GLN H H 1 8.201 0.020 . 1 . . . . . 72 GLN H . 50208 1 582 . 1 . 1 81 81 GLN HA H 1 4.421 0.020 . 1 . . . . . 72 GLN HA . 50208 1 583 . 1 . 1 81 81 GLN HB2 H 1 2.030 0.020 . 2 . . . . . 72 GLN HB2 . 50208 1 584 . 1 . 1 81 81 GLN HB3 H 1 2.140 0.020 . 2 . . . . . 72 GLN HB3 . 50208 1 585 . 1 . 1 81 81 GLN HG2 H 1 2.395 0.020 . 1 . . . . . 72 GLN HG2 . 50208 1 586 . 1 . 1 81 81 GLN HG3 H 1 2.395 0.020 . 1 . . . . . 72 GLN HG3 . 50208 1 587 . 1 . 1 81 81 GLN HE21 H 1 7.561 0.020 . 1 . . . . . 72 GLN HE21 . 50208 1 588 . 1 . 1 81 81 GLN HE22 H 1 6.892 0.020 . 1 . . . . . 72 GLN HE22 . 50208 1 589 . 1 . 1 81 81 GLN N N 15 122.343 0.3 . 1 . . . . . 72 GLN N . 50208 1 590 . 1 . 1 81 81 GLN NE2 N 15 111.712 0.3 . 1 . . . . . 72 GLN NE2 . 50208 1 591 . 1 . 1 82 82 THR H H 1 8.192 0.020 . 1 . . . . . 73 THR H . 50208 1 592 . 1 . 1 82 82 THR HA H 1 4.607 0.020 . 1 . . . . . 73 THR HA . 50208 1 593 . 1 . 1 82 82 THR HB H 1 4.170 0.020 . 1 . . . . . 73 THR HB . 50208 1 594 . 1 . 1 82 82 THR HG21 H 1 1.270 0.020 . 1 . . . . . 73 THR HG2 . 50208 1 595 . 1 . 1 82 82 THR HG22 H 1 1.270 0.020 . 1 . . . . . 73 THR HG2 . 50208 1 596 . 1 . 1 82 82 THR HG23 H 1 1.270 0.020 . 1 . . . . . 73 THR HG2 . 50208 1 597 . 1 . 1 82 82 THR N N 15 118.201 0.3 . 1 . . . . . 73 THR N . 50208 1 598 . 1 . 1 84 84 LYS H H 1 8.332 0.020 . 1 . . . . . 75 LYS H . 50208 1 599 . 1 . 1 84 84 LYS HA H 1 4.320 0.020 . 1 . . . . . 75 LYS HA . 50208 1 600 . 1 . 1 84 84 LYS HB2 H 1 1.850 0.020 . 2 . . . . . 75 LYS HB2 . 50208 1 601 . 1 . 1 84 84 LYS HB3 H 1 1.750 0.020 . 2 . . . . . 75 LYS HB3 . 50208 1 602 . 1 . 1 84 84 LYS HG2 H 1 1.460 0.020 . 1 . . . . . 75 LYS HG2 . 50208 1 603 . 1 . 1 84 84 LYS HG3 H 1 1.460 0.020 . 1 . . . . . 75 LYS HG3 . 50208 1 604 . 1 . 1 84 84 LYS HD2 H 1 1.700 0.020 . 1 . . . . . 75 LYS HD2 . 50208 1 605 . 1 . 1 84 84 LYS HD3 H 1 1.700 0.020 . 1 . . . . . 75 LYS HD3 . 50208 1 606 . 1 . 1 84 84 LYS HE2 H 1 3.020 0.020 . 1 . . . . . 75 LYS HE2 . 50208 1 607 . 1 . 1 84 84 LYS HE3 H 1 3.020 0.020 . 1 . . . . . 75 LYS HE3 . 50208 1 608 . 1 . 1 84 84 LYS N N 15 122.409 0.3 . 1 . . . . . 75 LYS N . 50208 1 609 . 1 . 1 85 85 LEU H H 1 7.870 0.020 . 1 . . . . . 76 LEU H . 50208 1 610 . 1 . 1 85 85 LEU HA H 1 4.210 0.020 . 1 . . . . . 76 LEU HA . 50208 1 611 . 1 . 1 85 85 LEU HB2 H 1 1.590 0.020 . 1 . . . . . 76 LEU HB2 . 50208 1 612 . 1 . 1 85 85 LEU HB3 H 1 1.590 0.020 . 1 . . . . . 76 LEU HB3 . 50208 1 613 . 1 . 1 85 85 LEU HG H 1 1.590 0.020 . 1 . . . . . 76 LEU HG . 50208 1 614 . 1 . 1 85 85 LEU HD11 H 1 0.860 0.020 . 2 . . . . . 76 LEU HD1 . 50208 1 615 . 1 . 1 85 85 LEU HD12 H 1 0.860 0.020 . 2 . . . . . 76 LEU HD1 . 50208 1 616 . 1 . 1 85 85 LEU HD13 H 1 0.860 0.020 . 2 . . . . . 76 LEU HD1 . 50208 1 617 . 1 . 1 85 85 LEU HD21 H 1 0.900 0.020 . 2 . . . . . 76 LEU HD2 . 50208 1 618 . 1 . 1 85 85 LEU HD22 H 1 0.900 0.020 . 2 . . . . . 76 LEU HD2 . 50208 1 619 . 1 . 1 85 85 LEU HD23 H 1 0.900 0.020 . 2 . . . . . 76 LEU HD2 . 50208 1 620 . 1 . 1 85 85 LEU N N 15 130.000 0.3 . 1 . . . . . 76 LEU N . 50208 1 stop_ save_