################################### # 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 30247 _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 $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.025 _Assigned_chem_shift_list.Chem_shift_13C_err 0.4 _Assigned_chem_shift_list.Chem_shift_15N_err 0.4 _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '3D CBCA(CO)NH' . . . 30247 1 2 '3D HNCO' . . . 30247 1 3 '3D HNCA' . . . 30247 1 4 '3D 1H-15N NOESY' . . . 30247 1 5 '3D 1H-13C NOESY aliphatic' . . . 30247 1 6 '3D HBHA(CO)NH' . . . 30247 1 7 '3D 1H-13C NOESY aromatic' . . . 30247 1 8 '3D C(CO)NH' . . . 30247 1 9 '3D 1H-15N TOCSY' . . . 30247 1 10 '3D HCCH-COSY' . . . 30247 1 11 '3D HCCH-TOCSY' . . . 30247 1 12 '2D 1H-15N HSQC' . . . 30247 1 13 '2D 1H-13C HSQC aliphatic' . . . 30247 1 14 '2D 1H-13C HSQC aromatic' . . . 30247 1 15 '3D HNCACB' . . . 30247 1 16 '2D (HB)CB(CGCD)HD' . . . 30247 1 17 '2D (HB)CB(CGCDCE)HE' . . . 30247 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.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 1 1 SER C C 13 178.720 0.000 . . . . . . A 1 SER C . 30247 1 2 . 1 1 2 2 HIS H H 1 8.430 0.000 . . . . . . A 2 HIS H . 30247 1 3 . 1 1 2 2 HIS HA H 1 4.611 0.000 . . . . . . A 2 HIS HA . 30247 1 4 . 1 1 2 2 HIS HB2 H 1 2.167 0.000 . . . . . . A 2 HIS HB2 . 30247 1 5 . 1 1 2 2 HIS HB3 H 1 2.019 0.000 . . . . . . A 2 HIS HB3 . 30247 1 6 . 1 1 2 2 HIS HD2 H 1 7.187 0.000 . . . . . . A 2 HIS HD2 . 30247 1 7 . 1 1 2 2 HIS HE1 H 1 8.238 0.000 . . . . . . A 2 HIS HE1 . 30247 1 8 . 1 1 2 2 HIS C C 13 178.750 0.000 . . . . . . A 2 HIS C . 30247 1 9 . 1 1 2 2 HIS CA C 13 55.750 0.000 . . . . . . A 2 HIS CA . 30247 1 10 . 1 1 2 2 HIS CB C 13 26.830 0.000 . . . . . . A 2 HIS CB . 30247 1 11 . 1 1 2 2 HIS CD2 C 13 119.626 0.000 . . . . . . A 2 HIS CD2 . 30247 1 12 . 1 1 2 2 HIS CE1 C 13 137.233 0.000 . . . . . . A 2 HIS CE1 . 30247 1 13 . 1 1 2 2 HIS N N 15 112.787 0.000 . . . . . . A 2 HIS N . 30247 1 14 . 1 1 3 3 MET H H 1 8.381 0.000 . . . . . . A 3 MET H . 30247 1 15 . 1 1 3 3 MET HA H 1 4.588 0.000 . . . . . . A 3 MET HA . 30247 1 16 . 1 1 3 3 MET HB2 H 1 2.160 0.000 . . . . . . A 3 MET HB2 . 30247 1 17 . 1 1 3 3 MET HB3 H 1 2.011 0.000 . . . . . . A 3 MET HB3 . 30247 1 18 . 1 1 3 3 MET HG2 H 1 2.392 0.000 . . . . . . A 3 MET HG2 . 30247 1 19 . 1 1 3 3 MET HG3 H 1 2.392 0.000 . . . . . . A 3 MET HG3 . 30247 1 20 . 1 1 3 3 MET C C 13 179.590 0.000 . . . . . . A 3 MET C . 30247 1 21 . 1 1 3 3 MET CA C 13 56.160 0.000 . . . . . . A 3 MET CA . 30247 1 22 . 1 1 3 3 MET CB C 13 33.810 0.000 . . . . . . A 3 MET CB . 30247 1 23 . 1 1 3 3 MET CG C 13 31.860 0.000 . . . . . . A 3 MET CG . 30247 1 24 . 1 1 3 3 MET N N 15 112.400 0.000 . . . . . . A 3 MET N . 30247 1 25 . 1 1 4 4 THR H H 1 8.342 0.020 . . . . . . A 4 THR H . 30247 1 26 . 1 1 4 4 THR HA H 1 4.378 0.020 . . . . . . A 4 THR HA . 30247 1 27 . 1 1 4 4 THR HB H 1 4.565 0.000 . . . . . . A 4 THR HB . 30247 1 28 . 1 1 4 4 THR HG21 H 1 1.287 0.000 . . . . . . A 4 THR HG21 . 30247 1 29 . 1 1 4 4 THR HG22 H 1 1.287 0.000 . . . . . . A 4 THR HG22 . 30247 1 30 . 1 1 4 4 THR HG23 H 1 1.287 0.000 . . . . . . A 4 THR HG23 . 30247 1 31 . 1 1 4 4 THR C C 13 177.300 0.000 . . . . . . A 4 THR C . 30247 1 32 . 1 1 4 4 THR CA C 13 61.581 0.300 . . . . . . A 4 THR CA . 30247 1 33 . 1 1 4 4 THR CB C 13 70.033 0.300 . . . . . . A 4 THR CB . 30247 1 34 . 1 1 4 4 THR CG2 C 13 21.306 0.000 . . . . . . A 4 THR CG2 . 30247 1 35 . 1 1 4 4 THR N N 15 112.223 0.300 . . . . . . A 4 THR N . 30247 1 36 . 1 1 5 5 ALA H H 1 8.465 0.020 . . . . . . A 5 ALA H . 30247 1 37 . 1 1 5 5 ALA HA H 1 4.254 0.020 . . . . . . A 5 ALA HA . 30247 1 38 . 1 1 5 5 ALA HB1 H 1 1.521 0.020 . . . . . . A 5 ALA HB1 . 30247 1 39 . 1 1 5 5 ALA HB2 H 1 1.521 0.020 . . . . . . A 5 ALA HB2 . 30247 1 40 . 1 1 5 5 ALA HB3 H 1 1.521 0.020 . . . . . . A 5 ALA HB3 . 30247 1 41 . 1 1 5 5 ALA C C 13 172.230 0.000 . . . . . . A 5 ALA C . 30247 1 42 . 1 1 5 5 ALA CA C 13 54.590 0.300 . . . . . . A 5 ALA CA . 30247 1 43 . 1 1 5 5 ALA CB C 13 18.129 0.300 . . . . . . A 5 ALA CB . 30247 1 44 . 1 1 5 5 ALA N N 15 122.407 0.300 . . . . . . A 5 ALA N . 30247 1 45 . 1 1 6 6 VAL H H 1 7.958 0.020 . . . . . . A 6 VAL H . 30247 1 46 . 1 1 6 6 VAL HA H 1 3.425 0.020 . . . . . . A 6 VAL HA . 30247 1 47 . 1 1 6 6 VAL HB H 1 1.911 0.020 . . . . . . A 6 VAL HB . 30247 1 48 . 1 1 6 6 VAL HG11 H 1 0.877 0.000 . . . . . . A 6 VAL HG11 . 30247 1 49 . 1 1 6 6 VAL HG12 H 1 0.877 0.000 . . . . . . A 6 VAL HG12 . 30247 1 50 . 1 1 6 6 VAL HG13 H 1 0.877 0.000 . . . . . . A 6 VAL HG13 . 30247 1 51 . 1 1 6 6 VAL HG21 H 1 1.060 0.000 . . . . . . A 6 VAL HG21 . 30247 1 52 . 1 1 6 6 VAL HG22 H 1 1.060 0.000 . . . . . . A 6 VAL HG22 . 30247 1 53 . 1 1 6 6 VAL HG23 H 1 1.060 0.000 . . . . . . A 6 VAL HG23 . 30247 1 54 . 1 1 6 6 VAL C C 13 179.650 0.000 . . . . . . A 6 VAL C . 30247 1 55 . 1 1 6 6 VAL CA C 13 66.712 0.300 . . . . . . A 6 VAL CA . 30247 1 56 . 1 1 6 6 VAL CB C 13 31.650 0.300 . . . . . . A 6 VAL CB . 30247 1 57 . 1 1 6 6 VAL CG1 C 13 20.630 0.000 . . . . . . A 6 VAL CG1 . 30247 1 58 . 1 1 6 6 VAL CG2 C 13 22.333 0.000 . . . . . . A 6 VAL CG2 . 30247 1 59 . 1 1 6 6 VAL N N 15 117.361 0.300 . . . . . . A 6 VAL N . 30247 1 60 . 1 1 7 7 GLN H H 1 7.826 0.020 . . . . . . A 7 GLN H . 30247 1 61 . 1 1 7 7 GLN HA H 1 3.743 0.020 . . . . . . A 7 GLN HA . 30247 1 62 . 1 1 7 7 GLN HB2 H 1 2.129 0.020 . . . . . . A 7 GLN HB2 . 30247 1 63 . 1 1 7 7 GLN HB3 H 1 2.001 0.000 . . . . . . A 7 GLN HB3 . 30247 1 64 . 1 1 7 7 GLN HG2 H 1 2.392 0.000 . . . . . . A 7 GLN HG2 . 30247 1 65 . 1 1 7 7 GLN HG3 H 1 2.392 0.000 . . . . . . A 7 GLN HG3 . 30247 1 66 . 1 1 7 7 GLN HE21 H 1 7.510 0.000 . . . . . . A 7 GLN HE21 . 30247 1 67 . 1 1 7 7 GLN HE22 H 1 6.584 0.000 . . . . . . A 7 GLN HE22 . 30247 1 68 . 1 1 7 7 GLN C C 13 180.590 0.000 . . . . . . A 7 GLN C . 30247 1 69 . 1 1 7 7 GLN CA C 13 58.700 0.300 . . . . . . A 7 GLN CA . 30247 1 70 . 1 1 7 7 GLN CB C 13 27.985 0.300 . . . . . . A 7 GLN CB . 30247 1 71 . 1 1 7 7 GLN CG C 13 33.986 0.000 . . . . . . A 7 GLN CG . 30247 1 72 . 1 1 7 7 GLN N N 15 116.950 0.300 . . . . . . A 7 GLN N . 30247 1 73 . 1 1 7 7 GLN NE2 N 15 110.190 0.000 . . . . . . A 7 GLN NE2 . 30247 1 74 . 1 1 8 8 ASP H H 1 8.361 0.020 . . . . . . A 8 ASP H . 30247 1 75 . 1 1 8 8 ASP HA H 1 4.306 0.020 . . . . . . A 8 ASP HA . 30247 1 76 . 1 1 8 8 ASP HB2 H 1 2.680 0.020 . . . . . . A 8 ASP HB2 . 30247 1 77 . 1 1 8 8 ASP HB3 H 1 2.680 0.020 . . . . . . A 8 ASP HB3 . 30247 1 78 . 1 1 8 8 ASP C C 13 180.980 0.000 . . . . . . A 8 ASP C . 30247 1 79 . 1 1 8 8 ASP CA C 13 56.900 0.300 . . . . . . A 8 ASP CA . 30247 1 80 . 1 1 8 8 ASP CB C 13 39.660 0.300 . . . . . . A 8 ASP CB . 30247 1 81 . 1 1 8 8 ASP N N 15 116.757 0.300 . . . . . . A 8 ASP N . 30247 1 82 . 1 1 9 9 PHE H H 1 7.620 0.020 . . . . . . A 9 PHE H . 30247 1 83 . 1 1 9 9 PHE HA H 1 4.157 0.020 . . . . . . A 9 PHE HA . 30247 1 84 . 1 1 9 9 PHE HB2 H 1 3.041 0.300 . . . . . . A 9 PHE HB2 . 30247 1 85 . 1 1 9 9 PHE HB3 H 1 3.336 0.020 . . . . . . A 9 PHE HB3 . 30247 1 86 . 1 1 9 9 PHE HD1 H 1 6.980 0.020 . . . . . . A 9 PHE HD1 . 30247 1 87 . 1 1 9 9 PHE HD2 H 1 6.980 0.020 . . . . . . A 9 PHE HD2 . 30247 1 88 . 1 1 9 9 PHE HE1 H 1 6.824 0.000 . . . . . . A 9 PHE HE1 . 30247 1 89 . 1 1 9 9 PHE HE2 H 1 6.824 0.000 . . . . . . A 9 PHE HE2 . 30247 1 90 . 1 1 9 9 PHE HZ H 1 6.647 0.000 . . . . . . A 9 PHE HZ . 30247 1 91 . 1 1 9 9 PHE C C 13 172.210 0.000 . . . . . . A 9 PHE C . 30247 1 92 . 1 1 9 9 PHE CA C 13 60.631 0.300 . . . . . . A 9 PHE CA . 30247 1 93 . 1 1 9 9 PHE CB C 13 39.005 0.300 . . . . . . A 9 PHE CB . 30247 1 94 . 1 1 9 9 PHE CD1 C 13 132.170 0.300 . . . . . . A 9 PHE CD1 . 30247 1 95 . 1 1 9 9 PHE CE1 C 13 129.990 0.000 . . . . . . A 9 PHE CE1 . 30247 1 96 . 1 1 9 9 PHE CZ C 13 128.190 0.000 . . . . . . A 9 PHE CZ . 30247 1 97 . 1 1 9 9 PHE N N 15 120.813 0.300 . . . . . . A 9 PHE N . 30247 1 98 . 1 1 10 10 VAL H H 1 8.002 0.020 . . . . . . A 10 VAL H . 30247 1 99 . 1 1 10 10 VAL HA H 1 3.071 0.020 . . . . . . A 10 VAL HA . 30247 1 100 . 1 1 10 10 VAL HB H 1 1.873 0.020 . . . . . . A 10 VAL HB . 30247 1 101 . 1 1 10 10 VAL HG11 H 1 0.502 0.000 . . . . . . A 10 VAL HG11 . 30247 1 102 . 1 1 10 10 VAL HG12 H 1 0.502 0.000 . . . . . . A 10 VAL HG12 . 30247 1 103 . 1 1 10 10 VAL HG13 H 1 0.502 0.000 . . . . . . A 10 VAL HG13 . 30247 1 104 . 1 1 10 10 VAL HG21 H 1 0.360 0.000 . . . . . . A 10 VAL HG21 . 30247 1 105 . 1 1 10 10 VAL HG22 H 1 0.360 0.000 . . . . . . A 10 VAL HG22 . 30247 1 106 . 1 1 10 10 VAL HG23 H 1 0.360 0.000 . . . . . . A 10 VAL HG23 . 30247 1 107 . 1 1 10 10 VAL C C 13 171.100 0.000 . . . . . . A 10 VAL C . 30247 1 108 . 1 1 10 10 VAL CA C 13 67.118 0.300 . . . . . . A 10 VAL CA . 30247 1 109 . 1 1 10 10 VAL CB C 13 31.173 0.300 . . . . . . A 10 VAL CB . 30247 1 110 . 1 1 10 10 VAL CG1 C 13 20.374 0.000 . . . . . . A 10 VAL CG1 . 30247 1 111 . 1 1 10 10 VAL CG2 C 13 21.827 0.000 . . . . . . A 10 VAL CG2 . 30247 1 112 . 1 1 10 10 VAL N N 15 117.626 0.300 . . . . . . A 10 VAL N . 30247 1 113 . 1 1 11 11 VAL H H 1 8.074 0.020 . . . . . . A 11 VAL H . 30247 1 114 . 1 1 11 11 VAL HA H 1 3.450 0.020 . . . . . . A 11 VAL HA . 30247 1 115 . 1 1 11 11 VAL HB H 1 2.068 0.020 . . . . . . A 11 VAL HB . 30247 1 116 . 1 1 11 11 VAL HG11 H 1 1.131 0.000 . . . . . . A 11 VAL HG11 . 30247 1 117 . 1 1 11 11 VAL HG12 H 1 1.131 0.000 . . . . . . A 11 VAL HG12 . 30247 1 118 . 1 1 11 11 VAL HG13 H 1 1.131 0.000 . . . . . . A 11 VAL HG13 . 30247 1 119 . 1 1 11 11 VAL HG21 H 1 1.018 0.000 . . . . . . A 11 VAL HG21 . 30247 1 120 . 1 1 11 11 VAL HG22 H 1 1.018 0.000 . . . . . . A 11 VAL HG22 . 30247 1 121 . 1 1 11 11 VAL HG23 H 1 1.018 0.000 . . . . . . A 11 VAL HG23 . 30247 1 122 . 1 1 11 11 VAL C C 13 179.850 0.000 . . . . . . A 11 VAL C . 30247 1 123 . 1 1 11 11 VAL CA C 13 66.439 0.300 . . . . . . A 11 VAL CA . 30247 1 124 . 1 1 11 11 VAL CB C 13 31.220 0.300 . . . . . . A 11 VAL CB . 30247 1 125 . 1 1 11 11 VAL CG1 C 13 21.180 0.000 . . . . . . A 11 VAL CG1 . 30247 1 126 . 1 1 11 11 VAL CG2 C 13 22.989 0.000 . . . . . . A 11 VAL CG2 . 30247 1 127 . 1 1 11 11 VAL N N 15 115.405 0.300 . . . . . . A 11 VAL N . 30247 1 128 . 1 1 12 12 ASP H H 1 7.459 0.020 . . . . . . A 12 ASP H . 30247 1 129 . 1 1 12 12 ASP HA H 1 4.257 0.020 . . . . . . A 12 ASP HA . 30247 1 130 . 1 1 12 12 ASP HB2 H 1 2.667 0.020 . . . . . . A 12 ASP HB2 . 30247 1 131 . 1 1 12 12 ASP HB3 H 1 2.667 0.020 . . . . . . A 12 ASP HB3 . 30247 1 132 . 1 1 12 12 ASP C C 13 180.970 0.000 . . . . . . A 12 ASP C . 30247 1 133 . 1 1 12 12 ASP CA C 13 57.378 0.300 . . . . . . A 12 ASP CA . 30247 1 134 . 1 1 12 12 ASP CB C 13 41.609 0.300 . . . . . . A 12 ASP CB . 30247 1 135 . 1 1 12 12 ASP N N 15 117.047 0.300 . . . . . . A 12 ASP N . 30247 1 136 . 1 1 13 13 ILE H H 1 7.620 0.020 . . . . . . A 13 ILE H . 30247 1 137 . 1 1 13 13 ILE HA H 1 3.450 0.020 . . . . . . A 13 ILE HA . 30247 1 138 . 1 1 13 13 ILE HB H 1 1.628 0.020 . . . . . . A 13 ILE HB . 30247 1 139 . 1 1 13 13 ILE HG12 H 1 0.781 0.000 . . . . . . A 13 ILE HG12 . 30247 1 140 . 1 1 13 13 ILE HG13 H 1 0.689 0.000 . . . . . . A 13 ILE HG13 . 30247 1 141 . 1 1 13 13 ILE HG21 H 1 0.542 0.000 . . . . . . A 13 ILE HG21 . 30247 1 142 . 1 1 13 13 ILE HG22 H 1 0.542 0.000 . . . . . . A 13 ILE HG22 . 30247 1 143 . 1 1 13 13 ILE HG23 H 1 0.542 0.000 . . . . . . A 13 ILE HG23 . 30247 1 144 . 1 1 13 13 ILE HD11 H 1 0.098 0.000 . . . . . . A 13 ILE HD11 . 30247 1 145 . 1 1 13 13 ILE HD12 H 1 0.098 0.000 . . . . . . A 13 ILE HD12 . 30247 1 146 . 1 1 13 13 ILE HD13 H 1 0.098 0.000 . . . . . . A 13 ILE HD13 . 30247 1 147 . 1 1 13 13 ILE C C 13 181.350 0.000 . . . . . . A 13 ILE C . 30247 1 148 . 1 1 13 13 ILE CA C 13 62.798 0.300 . . . . . . A 13 ILE CA . 30247 1 149 . 1 1 13 13 ILE CB C 13 35.449 0.300 . . . . . . A 13 ILE CB . 30247 1 150 . 1 1 13 13 ILE CG1 C 13 27.626 0.000 . . . . . . A 13 ILE CG1 . 30247 1 151 . 1 1 13 13 ILE CG2 C 13 18.033 0.000 . . . . . . A 13 ILE CG2 . 30247 1 152 . 1 1 13 13 ILE CD1 C 13 10.872 0.000 . . . . . . A 13 ILE CD1 . 30247 1 153 . 1 1 13 13 ILE N N 15 117.675 0.300 . . . . . . A 13 ILE N . 30247 1 154 . 1 1 14 14 LEU H H 1 8.271 0.020 . . . . . . A 14 LEU H . 30247 1 155 . 1 1 14 14 LEU HA H 1 3.927 0.020 . . . . . . A 14 LEU HA . 30247 1 156 . 1 1 14 14 LEU HB2 H 1 1.340 0.300 . . . . . . A 14 LEU HB2 . 30247 1 157 . 1 1 14 14 LEU HB3 H 1 1.819 0.020 . . . . . . A 14 LEU HB3 . 30247 1 158 . 1 1 14 14 LEU HG H 1 1.799 0.000 . . . . . . A 14 LEU HG . 30247 1 159 . 1 1 14 14 LEU HD11 H 1 0.762 0.000 . . . . . . A 14 LEU HD11 . 30247 1 160 . 1 1 14 14 LEU HD12 H 1 0.762 0.000 . . . . . . A 14 LEU HD12 . 30247 1 161 . 1 1 14 14 LEU HD13 H 1 0.762 0.000 . . . . . . A 14 LEU HD13 . 30247 1 162 . 1 1 14 14 LEU HD21 H 1 0.784 0.000 . . . . . . A 14 LEU HD21 . 30247 1 163 . 1 1 14 14 LEU HD22 H 1 0.784 0.000 . . . . . . A 14 LEU HD22 . 30247 1 164 . 1 1 14 14 LEU HD23 H 1 0.784 0.000 . . . . . . A 14 LEU HD23 . 30247 1 165 . 1 1 14 14 LEU C C 13 171.060 0.000 . . . . . . A 14 LEU C . 30247 1 166 . 1 1 14 14 LEU CA C 13 57.842 0.300 . . . . . . A 14 LEU CA . 30247 1 167 . 1 1 14 14 LEU CB C 13 41.246 0.300 . . . . . . A 14 LEU CB . 30247 1 168 . 1 1 14 14 LEU CG C 13 25.940 0.000 . . . . . . A 14 LEU CG . 30247 1 169 . 1 1 14 14 LEU CD1 C 13 25.140 0.000 . . . . . . A 14 LEU CD1 . 30247 1 170 . 1 1 14 14 LEU CD2 C 13 22.861 0.000 . . . . . . A 14 LEU CD2 . 30247 1 171 . 1 1 14 14 LEU N N 15 117.771 0.300 . . . . . . A 14 LEU N . 30247 1 172 . 1 1 15 15 LEU H H 1 8.074 0.020 . . . . . . A 15 LEU H . 30247 1 173 . 1 1 15 15 LEU HA H 1 4.257 0.020 . . . . . . A 15 LEU HA . 30247 1 174 . 1 1 15 15 LEU HB2 H 1 1.689 0.020 . . . . . . A 15 LEU HB2 . 30247 1 175 . 1 1 15 15 LEU HB3 H 1 1.482 0.020 . . . . . . A 15 LEU HB3 . 30247 1 176 . 1 1 15 15 LEU HG H 1 1.624 0.000 . . . . . . A 15 LEU HG . 30247 1 177 . 1 1 15 15 LEU HD21 H 1 -0.111 0.000 . . . . . . A 15 LEU HD21 . 30247 1 178 . 1 1 15 15 LEU HD22 H 1 -0.111 0.000 . . . . . . A 15 LEU HD22 . 30247 1 179 . 1 1 15 15 LEU HD23 H 1 -0.111 0.000 . . . . . . A 15 LEU HD23 . 30247 1 180 . 1 1 15 15 LEU C C 13 181.280 0.000 . . . . . . A 15 LEU C . 30247 1 181 . 1 1 15 15 LEU CA C 13 56.623 0.300 . . . . . . A 15 LEU CA . 30247 1 182 . 1 1 15 15 LEU CB C 13 42.913 0.300 . . . . . . A 15 LEU CB . 30247 1 183 . 1 1 15 15 LEU CG C 13 26.470 0.000 . . . . . . A 15 LEU CG . 30247 1 184 . 1 1 15 15 LEU CD1 C 13 24.270 0.020 . . . . . . A 15 LEU CD1 . 30247 1 185 . 1 1 15 15 LEU CD2 C 13 22.970 0.000 . . . . . . A 15 LEU CD2 . 30247 1 186 . 1 1 15 15 LEU N N 15 115.067 0.300 . . . . . . A 15 LEU N . 30247 1 187 . 1 1 16 16 ASN H H 1 8.477 0.020 . . . . . . A 16 ASN H . 30247 1 188 . 1 1 16 16 ASN HA H 1 4.856 0.020 . . . . . . A 16 ASN HA . 30247 1 189 . 1 1 16 16 ASN HB2 H 1 2.741 0.020 . . . . . . A 16 ASN HB2 . 30247 1 190 . 1 1 16 16 ASN HB3 H 1 2.741 0.020 . . . . . . A 16 ASN HB3 . 30247 1 191 . 1 1 16 16 ASN HD21 H 1 7.851 0.000 . . . . . . A 16 ASN HD21 . 30247 1 192 . 1 1 16 16 ASN HD22 H 1 6.955 0.000 . . . . . . A 16 ASN HD22 . 30247 1 193 . 1 1 16 16 ASN C C 13 179.080 0.000 . . . . . . A 16 ASN C . 30247 1 194 . 1 1 16 16 ASN CA C 13 53.864 0.300 . . . . . . A 16 ASN CA . 30247 1 195 . 1 1 16 16 ASN CB C 13 40.596 0.300 . . . . . . A 16 ASN CB . 30247 1 196 . 1 1 16 16 ASN N N 15 113.087 0.300 . . . . . . A 16 ASN N . 30247 1 197 . 1 1 16 16 ASN ND2 N 15 116.163 0.000 . . . . . . A 16 ASN ND2 . 30247 1 198 . 1 1 17 17 GLY H H 1 8.641 0.020 . . . . . . A 17 GLY H . 30247 1 199 . 1 1 17 17 GLY HA2 H 1 4.183 0.020 . . . . . . A 17 GLY HA2 . 30247 1 200 . 1 1 17 17 GLY HA3 H 1 3.731 0.020 . . . . . . A 17 GLY HA3 . 30247 1 201 . 1 1 17 17 GLY C C 13 173.760 0.000 . . . . . . A 17 GLY C . 30247 1 202 . 1 1 17 17 GLY CA C 13 44.230 0.300 . . . . . . A 17 GLY CA . 30247 1 203 . 1 1 17 17 GLY N N 15 110.480 0.300 . . . . . . A 17 GLY N . 30247 1 204 . 1 1 18 18 ALA H H 1 8.472 0.020 . . . . . . A 18 ALA H . 30247 1 205 . 1 1 18 18 ALA HA H 1 4.452 0.020 . . . . . . A 18 ALA HA . 30247 1 206 . 1 1 18 18 ALA HB1 H 1 1.139 0.020 . . . . . . A 18 ALA HB1 . 30247 1 207 . 1 1 18 18 ALA HB2 H 1 1.139 0.020 . . . . . . A 18 ALA HB2 . 30247 1 208 . 1 1 18 18 ALA HB3 H 1 1.139 0.020 . . . . . . A 18 ALA HB3 . 30247 1 209 . 1 1 18 18 ALA C C 13 178.730 0.000 . . . . . . A 18 ALA C . 30247 1 210 . 1 1 18 18 ALA CA C 13 51.018 0.300 . . . . . . A 18 ALA CA . 30247 1 211 . 1 1 18 18 ALA CB C 13 20.996 0.300 . . . . . . A 18 ALA CB . 30247 1 212 . 1 1 18 18 ALA N N 15 118.254 0.300 . . . . . . A 18 ALA N . 30247 1 213 . 1 1 19 19 ARG H H 1 8.543 0.020 . . . . . . A 19 ARG H . 30247 1 214 . 1 1 19 19 ARG HA H 1 4.000 0.020 . . . . . . A 19 ARG HA . 30247 1 215 . 1 1 19 19 ARG HB2 H 1 1.949 0.000 . . . . . . A 19 ARG HB2 . 30247 1 216 . 1 1 19 19 ARG HB3 H 1 1.814 0.000 . . . . . . A 19 ARG HB3 . 30247 1 217 . 1 1 19 19 ARG HG2 H 1 1.652 0.000 . . . . . . A 19 ARG HG2 . 30247 1 218 . 1 1 19 19 ARG HG3 H 1 1.597 0.000 . . . . . . A 19 ARG HG3 . 30247 1 219 . 1 1 19 19 ARG HD2 H 1 3.199 0.020 . . . . . . A 19 ARG HD2 . 30247 1 220 . 1 1 19 19 ARG HD3 H 1 3.199 0.020 . . . . . . A 19 ARG HD3 . 30247 1 221 . 1 1 19 19 ARG C C 13 179.350 0.000 . . . . . . A 19 ARG C . 30247 1 222 . 1 1 19 19 ARG CA C 13 58.007 0.300 . . . . . . A 19 ARG CA . 30247 1 223 . 1 1 19 19 ARG CB C 13 29.020 0.300 . . . . . . A 19 ARG CB . 30247 1 224 . 1 1 19 19 ARG CG C 13 26.380 0.000 . . . . . . A 19 ARG CG . 30247 1 225 . 1 1 19 19 ARG CD C 13 42.970 0.300 . . . . . . A 19 ARG CD . 30247 1 226 . 1 1 19 19 ARG N N 15 120.958 0.300 . . . . . . A 19 ARG N . 30247 1 227 . 1 1 20 20 ASP H H 1 8.948 0.020 . . . . . . A 20 ASP H . 30247 1 228 . 1 1 20 20 ASP HA H 1 4.391 0.020 . . . . . . A 20 ASP HA . 30247 1 229 . 1 1 20 20 ASP HB2 H 1 3.071 0.020 . . . . . . A 20 ASP HB2 . 30247 1 230 . 1 1 20 20 ASP HB3 H 1 2.716 0.020 . . . . . . A 20 ASP HB3 . 30247 1 231 . 1 1 20 20 ASP C C 13 177.420 0.000 . . . . . . A 20 ASP C . 30247 1 232 . 1 1 20 20 ASP CA C 13 56.100 0.300 . . . . . . A 20 ASP CA . 30247 1 233 . 1 1 20 20 ASP CB C 13 39.145 0.300 . . . . . . A 20 ASP CB . 30247 1 234 . 1 1 20 20 ASP N N 15 117.626 0.300 . . . . . . A 20 ASP N . 30247 1 235 . 1 1 21 21 TRP H H 1 8.428 0.020 . . . . . . A 21 TRP H . 30247 1 236 . 1 1 21 21 TRP HA H 1 4.648 0.020 . . . . . . A 21 TRP HA . 30247 1 237 . 1 1 21 21 TRP HB2 H 1 3.144 0.020 . . . . . . A 21 TRP HB2 . 30247 1 238 . 1 1 21 21 TRP HB3 H 1 2.961 0.020 . . . . . . A 21 TRP HB3 . 30247 1 239 . 1 1 21 21 TRP HD1 H 1 7.504 0.020 . . . . . . A 21 TRP HD1 . 30247 1 240 . 1 1 21 21 TRP HE1 H 1 10.364 0.000 . . . . . . A 21 TRP HE1 . 30247 1 241 . 1 1 21 21 TRP HE3 H 1 7.202 0.000 . . . . . . A 21 TRP HE3 . 30247 1 242 . 1 1 21 21 TRP HZ2 H 1 7.346 0.020 . . . . . . A 21 TRP HZ2 . 30247 1 243 . 1 1 21 21 TRP HZ3 H 1 7.038 0.300 . . . . . . A 21 TRP HZ3 . 30247 1 244 . 1 1 21 21 TRP HH2 H 1 7.194 0.000 . . . . . . A 21 TRP HH2 . 30247 1 245 . 1 1 21 21 TRP C C 13 177.970 0.000 . . . . . . A 21 TRP C . 30247 1 246 . 1 1 21 21 TRP CA C 13 56.362 0.300 . . . . . . A 21 TRP CA . 30247 1 247 . 1 1 21 21 TRP CB C 13 27.949 0.300 . . . . . . A 21 TRP CB . 30247 1 248 . 1 1 21 21 TRP CD1 C 13 128.000 0.300 . . . . . . A 21 TRP CD1 . 30247 1 249 . 1 1 21 21 TRP CE3 C 13 120.800 0.000 . . . . . . A 21 TRP CE3 . 30247 1 250 . 1 1 21 21 TRP CZ2 C 13 113.760 0.300 . . . . . . A 21 TRP CZ2 . 30247 1 251 . 1 1 21 21 TRP CZ3 C 13 122.148 0.300 . . . . . . A 21 TRP CZ3 . 30247 1 252 . 1 1 21 21 TRP CH2 C 13 122.800 0.000 . . . . . . A 21 TRP CH2 . 30247 1 253 . 1 1 21 21 TRP N N 15 118.447 0.300 . . . . . . A 21 TRP N . 30247 1 254 . 1 1 21 21 TRP NE1 N 15 129.988 0.000 . . . . . . A 21 TRP NE1 . 30247 1 255 . 1 1 22 22 ASP H H 1 9.229 0.020 . . . . . . A 22 ASP H . 30247 1 256 . 1 1 22 22 ASP HA H 1 5.125 0.020 . . . . . . A 22 ASP HA . 30247 1 257 . 1 1 22 22 ASP HB2 H 1 2.643 0.020 . . . . . . A 22 ASP HB2 . 30247 1 258 . 1 1 22 22 ASP HB3 H 1 2.643 0.020 . . . . . . A 22 ASP HB3 . 30247 1 259 . 1 1 22 22 ASP C C 13 178.860 0.000 . . . . . . A 22 ASP C . 30247 1 260 . 1 1 22 22 ASP CA C 13 52.848 0.300 . . . . . . A 22 ASP CA . 30247 1 261 . 1 1 22 22 ASP CB C 13 42.260 0.300 . . . . . . A 22 ASP CB . 30247 1 262 . 1 1 22 22 ASP N N 15 120.427 0.300 . . . . . . A 22 ASP N . 30247 1 263 . 1 1 23 23 VAL H H 1 9.029 0.020 . . . . . . A 23 VAL H . 30247 1 264 . 1 1 23 23 VAL HA H 1 4.147 0.020 . . . . . . A 23 VAL HA . 30247 1 265 . 1 1 23 23 VAL HB H 1 2.044 0.020 . . . . . . A 23 VAL HB . 30247 1 266 . 1 1 23 23 VAL HG11 H 1 0.541 0.000 . . . . . . A 23 VAL HG11 . 30247 1 267 . 1 1 23 23 VAL HG12 H 1 0.541 0.000 . . . . . . A 23 VAL HG12 . 30247 1 268 . 1 1 23 23 VAL HG13 H 1 0.541 0.000 . . . . . . A 23 VAL HG13 . 30247 1 269 . 1 1 23 23 VAL HG21 H 1 1.081 0.000 . . . . . . A 23 VAL HG21 . 30247 1 270 . 1 1 23 23 VAL HG22 H 1 1.081 0.000 . . . . . . A 23 VAL HG22 . 30247 1 271 . 1 1 23 23 VAL HG23 H 1 1.081 0.000 . . . . . . A 23 VAL HG23 . 30247 1 272 . 1 1 23 23 VAL C C 13 178.400 0.000 . . . . . . A 23 VAL C . 30247 1 273 . 1 1 23 23 VAL CA C 13 64.320 0.300 . . . . . . A 23 VAL CA . 30247 1 274 . 1 1 23 23 VAL CB C 13 31.395 0.300 . . . . . . A 23 VAL CB . 30247 1 275 . 1 1 23 23 VAL CG1 C 13 20.970 0.000 . . . . . . A 23 VAL CG1 . 30247 1 276 . 1 1 23 23 VAL CG2 C 13 22.465 0.000 . . . . . . A 23 VAL CG2 . 30247 1 277 . 1 1 23 23 VAL N N 15 124.338 0.300 . . . . . . A 23 VAL N . 30247 1 278 . 1 1 24 24 LEU H H 1 8.168 0.020 . . . . . . A 24 LEU H . 30247 1 279 . 1 1 24 24 LEU HA H 1 4.452 0.020 . . . . . . A 24 LEU HA . 30247 1 280 . 1 1 24 24 LEU HB2 H 1 1.444 0.300 . . . . . . A 24 LEU HB2 . 30247 1 281 . 1 1 24 24 LEU HB3 H 1 1.565 0.020 . . . . . . A 24 LEU HB3 . 30247 1 282 . 1 1 24 24 LEU HG H 1 3.233 0.000 . . . . . . A 24 LEU HG . 30247 1 283 . 1 1 24 24 LEU HD11 H 1 0.965 0.000 . . . . . . A 24 LEU HD11 . 30247 1 284 . 1 1 24 24 LEU HD12 H 1 0.965 0.000 . . . . . . A 24 LEU HD12 . 30247 1 285 . 1 1 24 24 LEU HD13 H 1 0.965 0.000 . . . . . . A 24 LEU HD13 . 30247 1 286 . 1 1 24 24 LEU HD21 H 1 0.941 0.000 . . . . . . A 24 LEU HD21 . 30247 1 287 . 1 1 24 24 LEU HD22 H 1 0.941 0.000 . . . . . . A 24 LEU HD22 . 30247 1 288 . 1 1 24 24 LEU HD23 H 1 0.941 0.000 . . . . . . A 24 LEU HD23 . 30247 1 289 . 1 1 24 24 LEU C C 13 177.040 0.000 . . . . . . A 24 LEU C . 30247 1 290 . 1 1 24 24 LEU CA C 13 55.621 0.300 . . . . . . A 24 LEU CA . 30247 1 291 . 1 1 24 24 LEU CB C 13 43.840 0.300 . . . . . . A 24 LEU CB . 30247 1 292 . 1 1 24 24 LEU CG C 13 30.732 0.000 . . . . . . A 24 LEU CG . 30247 1 293 . 1 1 24 24 LEU CD1 C 13 25.650 0.000 . . . . . . A 24 LEU CD1 . 30247 1 294 . 1 1 24 24 LEU CD2 C 13 23.780 0.000 . . . . . . A 24 LEU CD2 . 30247 1 295 . 1 1 24 24 LEU N N 15 129.070 0.300 . . . . . . A 24 LEU N . 30247 1 296 . 1 1 25 25 GLN H H 1 9.034 0.020 . . . . . . A 25 GLN H . 30247 1 297 . 1 1 25 25 GLN HA H 1 4.827 0.020 . . . . . . A 25 GLN HA . 30247 1 298 . 1 1 25 25 GLN HB2 H 1 2.132 0.020 . . . . . . A 25 GLN HB2 . 30247 1 299 . 1 1 25 25 GLN HB3 H 1 2.041 0.020 . . . . . . A 25 GLN HB3 . 30247 1 300 . 1 1 25 25 GLN HG2 H 1 2.355 0.000 . . . . . . A 25 GLN HG2 . 30247 1 301 . 1 1 25 25 GLN HG3 H 1 2.182 0.000 . . . . . . A 25 GLN HG3 . 30247 1 302 . 1 1 25 25 GLN HE21 H 1 7.726 0.000 . . . . . . A 25 GLN HE21 . 30247 1 303 . 1 1 25 25 GLN HE22 H 1 6.916 0.000 . . . . . . A 25 GLN HE22 . 30247 1 304 . 1 1 25 25 GLN C C 13 176.290 0.000 . . . . . . A 25 GLN C . 30247 1 305 . 1 1 25 25 GLN CA C 13 54.997 0.300 . . . . . . A 25 GLN CA . 30247 1 306 . 1 1 25 25 GLN CB C 13 30.326 0.300 . . . . . . A 25 GLN CB . 30247 1 307 . 1 1 25 25 GLN CG C 13 34.856 0.000 . . . . . . A 25 GLN CG . 30247 1 308 . 1 1 25 25 GLN N N 15 125.690 0.300 . . . . . . A 25 GLN N . 30247 1 309 . 1 1 25 25 GLN NE2 N 15 110.983 0.000 . . . . . . A 25 GLN NE2 . 30247 1 310 . 1 1 26 26 THR H H 1 8.597 0.020 . . . . . . A 26 THR H . 30247 1 311 . 1 1 26 26 THR HA H 1 4.764 0.020 . . . . . . A 26 THR HA . 30247 1 312 . 1 1 26 26 THR HB H 1 4.157 0.020 . . . . . . A 26 THR HB . 30247 1 313 . 1 1 26 26 THR HG21 H 1 1.149 0.000 . . . . . . A 26 THR HG21 . 30247 1 314 . 1 1 26 26 THR HG22 H 1 1.149 0.000 . . . . . . A 26 THR HG22 . 30247 1 315 . 1 1 26 26 THR HG23 H 1 1.149 0.000 . . . . . . A 26 THR HG23 . 30247 1 316 . 1 1 26 26 THR C C 13 176.320 0.000 . . . . . . A 26 THR C . 30247 1 317 . 1 1 26 26 THR CA C 13 58.046 0.300 . . . . . . A 26 THR CA . 30247 1 318 . 1 1 26 26 THR CB C 13 69.165 0.300 . . . . . . A 26 THR CB . 30247 1 319 . 1 1 26 26 THR CG2 C 13 18.315 0.000 . . . . . . A 26 THR CG2 . 30247 1 320 . 1 1 26 26 THR N N 15 120.813 0.300 . . . . . . A 26 THR N . 30247 1 321 . 1 1 27 27 THR H H 1 8.626 0.020 . . . . . . A 27 THR H . 30247 1 322 . 1 1 27 27 THR HA H 1 5.485 0.020 . . . . . . A 27 THR HA . 30247 1 323 . 1 1 27 27 THR HB H 1 4.030 0.020 . . . . . . A 27 THR HB . 30247 1 324 . 1 1 27 27 THR HG21 H 1 1.042 0.000 . . . . . . A 27 THR HG21 . 30247 1 325 . 1 1 27 27 THR HG22 H 1 1.042 0.000 . . . . . . A 27 THR HG22 . 30247 1 326 . 1 1 27 27 THR HG23 H 1 1.042 0.000 . . . . . . A 27 THR HG23 . 30247 1 327 . 1 1 27 27 THR C C 13 176.140 0.000 . . . . . . A 27 THR C . 30247 1 328 . 1 1 27 27 THR CA C 13 59.401 0.300 . . . . . . A 27 THR CA . 30247 1 329 . 1 1 27 27 THR CB C 13 71.900 0.300 . . . . . . A 27 THR CB . 30247 1 330 . 1 1 27 27 THR CG2 C 13 21.339 0.000 . . . . . . A 27 THR CG2 . 30247 1 331 . 1 1 27 27 THR N N 15 112.556 0.300 . . . . . . A 27 THR N . 30247 1 332 . 1 1 28 28 CYS H H 1 8.861 0.020 . . . . . . A 28 CYS H . 30247 1 333 . 1 1 28 28 CYS HA H 1 4.637 0.020 . . . . . . A 28 CYS HA . 30247 1 334 . 1 1 28 28 CYS HB2 H 1 2.537 0.020 . . . . . . A 28 CYS HB2 . 30247 1 335 . 1 1 28 28 CYS HB3 H 1 2.385 0.020 . . . . . . A 28 CYS HB3 . 30247 1 336 . 1 1 28 28 CYS C C 13 175.580 0.000 . . . . . . A 28 CYS C . 30247 1 337 . 1 1 28 28 CYS CA C 13 57.059 0.300 . . . . . . A 28 CYS CA . 30247 1 338 . 1 1 28 28 CYS CB C 13 30.159 0.300 . . . . . . A 28 CYS CB . 30247 1 339 . 1 1 28 28 CYS N N 15 117.095 0.300 . . . . . . A 28 CYS N . 30247 1 340 . 1 1 29 29 THR H H 1 8.685 0.020 . . . . . . A 29 THR H . 30247 1 341 . 1 1 29 29 THR HA H 1 5.409 0.020 . . . . . . A 29 THR HA . 30247 1 342 . 1 1 29 29 THR HB H 1 3.853 0.020 . . . . . . A 29 THR HB . 30247 1 343 . 1 1 29 29 THR HG21 H 1 0.891 0.000 . . . . . . A 29 THR HG21 . 30247 1 344 . 1 1 29 29 THR HG22 H 1 0.891 0.000 . . . . . . A 29 THR HG22 . 30247 1 345 . 1 1 29 29 THR HG23 H 1 0.891 0.000 . . . . . . A 29 THR HG23 . 30247 1 346 . 1 1 29 29 THR C C 13 177.110 0.000 . . . . . . A 29 THR C . 30247 1 347 . 1 1 29 29 THR CA C 13 61.175 0.300 . . . . . . A 29 THR CA . 30247 1 348 . 1 1 29 29 THR CB C 13 69.799 0.300 . . . . . . A 29 THR CB . 30247 1 349 . 1 1 29 29 THR CG2 C 13 20.240 0.000 . . . . . . A 29 THR CG2 . 30247 1 350 . 1 1 29 29 THR N N 15 119.413 0.300 . . . . . . A 29 THR N . 30247 1 351 . 1 1 30 30 VAL H H 1 8.764 0.020 . . . . . . A 30 VAL H . 30247 1 352 . 1 1 30 30 VAL HA H 1 4.164 0.020 . . . . . . A 30 VAL HA . 30247 1 353 . 1 1 30 30 VAL HB H 1 1.891 0.020 . . . . . . A 30 VAL HB . 30247 1 354 . 1 1 30 30 VAL HG11 H 1 0.730 0.000 . . . . . . A 30 VAL HG11 . 30247 1 355 . 1 1 30 30 VAL HG12 H 1 0.730 0.000 . . . . . . A 30 VAL HG12 . 30247 1 356 . 1 1 30 30 VAL HG13 H 1 0.730 0.000 . . . . . . A 30 VAL HG13 . 30247 1 357 . 1 1 30 30 VAL HG21 H 1 0.826 0.000 . . . . . . A 30 VAL HG21 . 30247 1 358 . 1 1 30 30 VAL HG22 H 1 0.826 0.000 . . . . . . A 30 VAL HG22 . 30247 1 359 . 1 1 30 30 VAL HG23 H 1 0.826 0.000 . . . . . . A 30 VAL HG23 . 30247 1 360 . 1 1 30 30 VAL C C 13 179.070 0.000 . . . . . . A 30 VAL C . 30247 1 361 . 1 1 30 30 VAL CA C 13 61.618 0.300 . . . . . . A 30 VAL CA . 30247 1 362 . 1 1 30 30 VAL CB C 13 34.652 0.300 . . . . . . A 30 VAL CB . 30247 1 363 . 1 1 30 30 VAL CG1 C 13 20.846 0.000 . . . . . . A 30 VAL CG1 . 30247 1 364 . 1 1 30 30 VAL CG2 C 13 21.000 0.000 . . . . . . A 30 VAL CG2 . 30247 1 365 . 1 1 30 30 VAL N N 15 125.014 0.300 . . . . . . A 30 VAL N . 30247 1 366 . 1 1 31 31 ASP H H 1 9.667 0.020 . . . . . . A 31 ASP H . 30247 1 367 . 1 1 31 31 ASP HA H 1 4.245 0.020 . . . . . . A 31 ASP HA . 30247 1 368 . 1 1 31 31 ASP HB2 H 1 3.005 0.020 . . . . . . A 31 ASP HB2 . 30247 1 369 . 1 1 31 31 ASP HB3 H 1 2.511 0.020 . . . . . . A 31 ASP HB3 . 30247 1 370 . 1 1 31 31 ASP C C 13 177.230 0.000 . . . . . . A 31 ASP C . 30247 1 371 . 1 1 31 31 ASP CA C 13 55.700 0.300 . . . . . . A 31 ASP CA . 30247 1 372 . 1 1 31 31 ASP CB C 13 39.072 0.300 . . . . . . A 31 ASP CB . 30247 1 373 . 1 1 31 31 ASP N N 15 130.278 0.300 . . . . . . A 31 ASP N . 30247 1 374 . 1 1 32 32 ARG H H 1 8.459 0.020 . . . . . . A 32 ARG H . 30247 1 375 . 1 1 32 32 ARG HA H 1 3.587 0.020 . . . . . . A 32 ARG HA . 30247 1 376 . 1 1 32 32 ARG HB2 H 1 2.081 0.020 . . . . . . A 32 ARG HB2 . 30247 1 377 . 1 1 32 32 ARG HB3 H 1 2.081 0.020 . . . . . . A 32 ARG HB3 . 30247 1 378 . 1 1 32 32 ARG HG2 H 1 1.960 0.000 . . . . . . A 32 ARG HG2 . 30247 1 379 . 1 1 32 32 ARG HG3 H 1 1.535 0.000 . . . . . . A 32 ARG HG3 . 30247 1 380 . 1 1 32 32 ARG C C 13 177.140 0.000 . . . . . . A 32 ARG C . 30247 1 381 . 1 1 32 32 ARG CA C 13 57.711 0.300 . . . . . . A 32 ARG CA . 30247 1 382 . 1 1 32 32 ARG CB C 13 27.867 0.300 . . . . . . A 32 ARG CB . 30247 1 383 . 1 1 32 32 ARG CG C 13 27.674 0.000 . . . . . . A 32 ARG CG . 30247 1 384 . 1 1 32 32 ARG N N 15 107.534 0.300 . . . . . . A 32 ARG N . 30247 1 385 . 1 1 33 33 LYS H H 1 7.827 0.020 . . . . . . A 33 LYS H . 30247 1 386 . 1 1 33 33 LYS HA H 1 4.334 0.020 . . . . . . A 33 LYS HA . 30247 1 387 . 1 1 33 33 LYS HB2 H 1 1.504 0.020 . . . . . . A 33 LYS HB2 . 30247 1 388 . 1 1 33 33 LYS HB3 H 1 1.575 0.020 . . . . . . A 33 LYS HB3 . 30247 1 389 . 1 1 33 33 LYS HG2 H 1 0.372 0.000 . . . . . . A 33 LYS HG2 . 30247 1 390 . 1 1 33 33 LYS HG3 H 1 1.145 0.000 . . . . . . A 33 LYS HG3 . 30247 1 391 . 1 1 33 33 LYS HE2 H 1 2.679 0.000 . . . . . . A 33 LYS HE2 . 30247 1 392 . 1 1 33 33 LYS HE3 H 1 2.380 0.000 . . . . . . A 33 LYS HE3 . 30247 1 393 . 1 1 33 33 LYS C C 13 175.970 0.000 . . . . . . A 33 LYS C . 30247 1 394 . 1 1 33 33 LYS CA C 13 55.218 0.300 . . . . . . A 33 LYS CA . 30247 1 395 . 1 1 33 33 LYS CB C 13 33.710 0.300 . . . . . . A 33 LYS CB . 30247 1 396 . 1 1 33 33 LYS CG C 13 24.790 0.000 . . . . . . A 33 LYS CG . 30247 1 397 . 1 1 33 33 LYS CD C 13 28.540 0.000 . . . . . . A 33 LYS CD . 30247 1 398 . 1 1 33 33 LYS CE C 13 42.241 0.000 . . . . . . A 33 LYS CE . 30247 1 399 . 1 1 33 33 LYS N N 15 122.407 0.300 . . . . . . A 33 LYS N . 30247 1 400 . 1 1 34 34 VAL H H 1 8.060 0.020 . . . . . . A 34 VAL H . 30247 1 401 . 1 1 34 34 VAL HA H 1 4.334 0.020 . . . . . . A 34 VAL HA . 30247 1 402 . 1 1 34 34 VAL HB H 1 1.764 0.020 . . . . . . A 34 VAL HB . 30247 1 403 . 1 1 34 34 VAL HG11 H 1 0.739 0.000 . . . . . . A 34 VAL HG11 . 30247 1 404 . 1 1 34 34 VAL HG12 H 1 0.739 0.000 . . . . . . A 34 VAL HG12 . 30247 1 405 . 1 1 34 34 VAL HG13 H 1 0.739 0.000 . . . . . . A 34 VAL HG13 . 30247 1 406 . 1 1 34 34 VAL HG21 H 1 0.847 0.000 . . . . . . A 34 VAL HG21 . 30247 1 407 . 1 1 34 34 VAL HG22 H 1 0.847 0.000 . . . . . . A 34 VAL HG22 . 30247 1 408 . 1 1 34 34 VAL HG23 H 1 0.847 0.000 . . . . . . A 34 VAL HG23 . 30247 1 409 . 1 1 34 34 VAL C C 13 178.150 0.000 . . . . . . A 34 VAL C . 30247 1 410 . 1 1 34 34 VAL CA C 13 61.705 0.300 . . . . . . A 34 VAL CA . 30247 1 411 . 1 1 34 34 VAL CB C 13 31.970 0.300 . . . . . . A 34 VAL CB . 30247 1 412 . 1 1 34 34 VAL CG1 C 13 20.785 0.000 . . . . . . A 34 VAL CG1 . 30247 1 413 . 1 1 34 34 VAL CG2 C 13 20.650 0.000 . . . . . . A 34 VAL CG2 . 30247 1 414 . 1 1 34 34 VAL N N 15 123.421 0.300 . . . . . . A 34 VAL N . 30247 1 415 . 1 1 35 35 TYR H H 1 9.298 0.020 . . . . . . A 35 TYR H . 30247 1 416 . 1 1 35 35 TYR HA H 1 4.422 0.020 . . . . . . A 35 TYR HA . 30247 1 417 . 1 1 35 35 TYR HB2 H 1 2.688 0.020 . . . . . . A 35 TYR HB2 . 30247 1 418 . 1 1 35 35 TYR HB3 H 1 2.372 0.020 . . . . . . A 35 TYR HB3 . 30247 1 419 . 1 1 35 35 TYR HD1 H 1 6.500 0.000 . . . . . . A 35 TYR HD1 . 30247 1 420 . 1 1 35 35 TYR HD2 H 1 6.500 0.000 . . . . . . A 35 TYR HD2 . 30247 1 421 . 1 1 35 35 TYR HE1 H 1 5.642 0.000 . . . . . . A 35 TYR HE1 . 30247 1 422 . 1 1 35 35 TYR HE2 H 1 5.642 0.000 . . . . . . A 35 TYR HE2 . 30247 1 423 . 1 1 35 35 TYR C C 13 177.630 0.000 . . . . . . A 35 TYR C . 30247 1 424 . 1 1 35 35 TYR CA C 13 56.275 0.300 . . . . . . A 35 TYR CA . 30247 1 425 . 1 1 35 35 TYR CB C 13 40.667 0.300 . . . . . . A 35 TYR CB . 30247 1 426 . 1 1 35 35 TYR CD1 C 13 133.108 0.300 . . . . . . A 35 TYR CD1 . 30247 1 427 . 1 1 35 35 TYR CE1 C 13 116.656 0.000 . . . . . . A 35 TYR CE1 . 30247 1 428 . 1 1 35 35 TYR N N 15 125.787 0.300 . . . . . . A 35 TYR N . 30247 1 429 . 1 1 36 36 LYS H H 1 7.906 0.020 . . . . . . A 36 LYS H . 30247 1 430 . 1 1 36 36 LYS HA H 1 4.574 0.020 . . . . . . A 36 LYS HA . 30247 1 431 . 1 1 36 36 LYS HB2 H 1 1.549 0.020 . . . . . . A 36 LYS HB2 . 30247 1 432 . 1 1 36 36 LYS HB3 H 1 0.701 0.020 . . . . . . A 36 LYS HB3 . 30247 1 433 . 1 1 36 36 LYS HG2 H 1 1.324 0.000 . . . . . . A 36 LYS HG2 . 30247 1 434 . 1 1 36 36 LYS HG3 H 1 1.177 0.000 . . . . . . A 36 LYS HG3 . 30247 1 435 . 1 1 36 36 LYS HD2 H 1 1.434 0.000 . . . . . . A 36 LYS HD2 . 30247 1 436 . 1 1 36 36 LYS HD3 H 1 1.344 0.000 . . . . . . A 36 LYS HD3 . 30247 1 437 . 1 1 36 36 LYS HE2 H 1 2.719 0.000 . . . . . . A 36 LYS HE2 . 30247 1 438 . 1 1 36 36 LYS HE3 H 1 2.789 0.000 . . . . . . A 36 LYS HE3 . 30247 1 439 . 1 1 36 36 LYS C C 13 178.890 0.000 . . . . . . A 36 LYS C . 30247 1 440 . 1 1 36 36 LYS CA C 13 55.665 0.300 . . . . . . A 36 LYS CA . 30247 1 441 . 1 1 36 36 LYS CB C 13 32.550 0.300 . . . . . . A 36 LYS CB . 30247 1 442 . 1 1 36 36 LYS CG C 13 25.136 0.000 . . . . . . A 36 LYS CG . 30247 1 443 . 1 1 36 36 LYS CD C 13 29.150 0.000 . . . . . . A 36 LYS CD . 30247 1 444 . 1 1 36 36 LYS CE C 13 41.597 0.000 . . . . . . A 36 LYS CE . 30247 1 445 . 1 1 36 36 LYS N N 15 120.186 0.300 . . . . . . A 36 LYS N . 30247 1 446 . 1 1 37 37 THR H H 1 8.440 0.020 . . . . . . A 37 THR H . 30247 1 447 . 1 1 37 37 THR HA H 1 5.156 0.020 . . . . . . A 37 THR HA . 30247 1 448 . 1 1 37 37 THR HB H 1 4.460 0.020 . . . . . . A 37 THR HB . 30247 1 449 . 1 1 37 37 THR HG21 H 1 0.907 0.000 . . . . . . A 37 THR HG21 . 30247 1 450 . 1 1 37 37 THR HG22 H 1 0.907 0.000 . . . . . . A 37 THR HG22 . 30247 1 451 . 1 1 37 37 THR HG23 H 1 0.907 0.000 . . . . . . A 37 THR HG23 . 30247 1 452 . 1 1 37 37 THR C C 13 176.370 0.000 . . . . . . A 37 THR C . 30247 1 453 . 1 1 37 37 THR CA C 13 61.792 0.300 . . . . . . A 37 THR CA . 30247 1 454 . 1 1 37 37 THR CB C 13 71.756 0.300 . . . . . . A 37 THR CB . 30247 1 455 . 1 1 37 37 THR CG2 C 13 20.866 0.000 . . . . . . A 37 THR CG2 . 30247 1 456 . 1 1 37 37 THR N N 15 110.287 0.300 . . . . . . A 37 THR N . 30247 1 457 . 1 1 38 38 ILE H H 1 9.401 0.020 . . . . . . A 38 ILE H . 30247 1 458 . 1 1 38 38 ILE HA H 1 4.783 0.020 . . . . . . A 38 ILE HA . 30247 1 459 . 1 1 38 38 ILE HB H 1 1.878 0.020 . . . . . . A 38 ILE HB . 30247 1 460 . 1 1 38 38 ILE HG12 H 1 1.778 0.000 . . . . . . A 38 ILE HG12 . 30247 1 461 . 1 1 38 38 ILE HG13 H 1 1.201 0.000 . . . . . . A 38 ILE HG13 . 30247 1 462 . 1 1 38 38 ILE HG21 H 1 1.040 0.000 . . . . . . A 38 ILE HG21 . 30247 1 463 . 1 1 38 38 ILE HG22 H 1 1.040 0.000 . . . . . . A 38 ILE HG22 . 30247 1 464 . 1 1 38 38 ILE HG23 H 1 1.040 0.000 . . . . . . A 38 ILE HG23 . 30247 1 465 . 1 1 38 38 ILE HD11 H 1 0.990 0.000 . . . . . . A 38 ILE HD11 . 30247 1 466 . 1 1 38 38 ILE HD12 H 1 0.990 0.000 . . . . . . A 38 ILE HD12 . 30247 1 467 . 1 1 38 38 ILE HD13 H 1 0.990 0.000 . . . . . . A 38 ILE HD13 . 30247 1 468 . 1 1 38 38 ILE C C 13 177.080 0.000 . . . . . . A 38 ILE C . 30247 1 469 . 1 1 38 38 ILE CA C 13 60.805 0.300 . . . . . . A 38 ILE CA . 30247 1 470 . 1 1 38 38 ILE CB C 13 41.826 0.300 . . . . . . A 38 ILE CB . 30247 1 471 . 1 1 38 38 ILE CG1 C 13 27.650 0.000 . . . . . . A 38 ILE CG1 . 30247 1 472 . 1 1 38 38 ILE CG2 C 13 18.700 0.000 . . . . . . A 38 ILE CG2 . 30247 1 473 . 1 1 38 38 ILE CD1 C 13 14.980 0.000 . . . . . . A 38 ILE CD1 . 30247 1 474 . 1 1 38 38 ILE N N 15 114.536 0.300 . . . . . . A 38 ILE N . 30247 1 475 . 1 1 39 39 CYS H H 1 7.764 0.020 . . . . . . A 39 CYS H . 30247 1 476 . 1 1 39 39 CYS HA H 1 5.792 0.020 . . . . . . A 39 CYS HA . 30247 1 477 . 1 1 39 39 CYS HB2 H 1 3.232 0.020 . . . . . . A 39 CYS HB2 . 30247 1 478 . 1 1 39 39 CYS HB3 H 1 2.974 0.020 . . . . . . A 39 CYS HB3 . 30247 1 479 . 1 1 39 39 CYS C C 13 175.080 0.000 . . . . . . A 39 CYS C . 30247 1 480 . 1 1 39 39 CYS CA C 13 55.770 0.300 . . . . . . A 39 CYS CA . 30247 1 481 . 1 1 39 39 CYS CB C 13 30.811 0.300 . . . . . . A 39 CYS CB . 30247 1 482 . 1 1 39 39 CYS N N 15 109.080 0.300 . . . . . . A 39 CYS N . 30247 1 483 . 1 1 40 40 LYS H H 1 9.608 0.020 . . . . . . A 40 LYS H . 30247 1 484 . 1 1 40 40 LYS HA H 1 5.688 0.020 . . . . . . A 40 LYS HA . 30247 1 485 . 1 1 40 40 LYS HB2 H 1 1.576 0.020 . . . . . . A 40 LYS HB2 . 30247 1 486 . 1 1 40 40 LYS HB3 H 1 1.437 0.020 . . . . . . A 40 LYS HB3 . 30247 1 487 . 1 1 40 40 LYS HG2 H 1 0.662 0.000 . . . . . . A 40 LYS HG2 . 30247 1 488 . 1 1 40 40 LYS HG3 H 1 1.062 0.000 . . . . . . A 40 LYS HG3 . 30247 1 489 . 1 1 40 40 LYS HD2 H 1 1.579 0.000 . . . . . . A 40 LYS HD2 . 30247 1 490 . 1 1 40 40 LYS HD3 H 1 1.395 0.000 . . . . . . A 40 LYS HD3 . 30247 1 491 . 1 1 40 40 LYS HE2 H 1 2.163 0.000 . . . . . . A 40 LYS HE2 . 30247 1 492 . 1 1 40 40 LYS HE3 H 1 2.838 0.000 . . . . . . A 40 LYS HE3 . 30247 1 493 . 1 1 40 40 LYS C C 13 176.770 0.000 . . . . . . A 40 LYS C . 30247 1 494 . 1 1 40 40 LYS CA C 13 54.910 0.300 . . . . . . A 40 LYS CA . 30247 1 495 . 1 1 40 40 LYS CB C 13 37.551 0.300 . . . . . . A 40 LYS CB . 30247 1 496 . 1 1 40 40 LYS CG C 13 23.873 0.000 . . . . . . A 40 LYS CG . 30247 1 497 . 1 1 40 40 LYS CD C 13 29.418 0.000 . . . . . . A 40 LYS CD . 30247 1 498 . 1 1 40 40 LYS CE C 13 41.560 0.000 . . . . . . A 40 LYS CE . 30247 1 499 . 1 1 40 40 LYS N N 15 120.427 0.300 . . . . . . A 40 LYS N . 30247 1 500 . 1 1 41 41 ARG H H 1 8.570 0.020 . . . . . . A 41 ARG H . 30247 1 501 . 1 1 41 41 ARG HA H 1 4.202 0.020 . . . . . . A 41 ARG HA . 30247 1 502 . 1 1 41 41 ARG HB2 H 1 0.092 0.020 . . . . . . A 41 ARG HB2 . 30247 1 503 . 1 1 41 41 ARG HB3 H 1 -0.025 0.020 . . . . . . A 41 ARG HB3 . 30247 1 504 . 1 1 41 41 ARG HG2 H 1 0.708 0.000 . . . . . . A 41 ARG HG2 . 30247 1 505 . 1 1 41 41 ARG HG3 H 1 1.177 0.000 . . . . . . A 41 ARG HG3 . 30247 1 506 . 1 1 41 41 ARG HD2 H 1 1.800 0.000 . . . . . . A 41 ARG HD2 . 30247 1 507 . 1 1 41 41 ARG HD3 H 1 2.476 0.000 . . . . . . A 41 ARG HD3 . 30247 1 508 . 1 1 41 41 ARG C C 13 179.010 0.000 . . . . . . A 41 ARG C . 30247 1 509 . 1 1 41 41 ARG CA C 13 55.752 0.300 . . . . . . A 41 ARG CA . 30247 1 510 . 1 1 41 41 ARG CB C 13 29.530 0.300 . . . . . . A 41 ARG CB . 30247 1 511 . 1 1 41 41 ARG CG C 13 24.942 0.000 . . . . . . A 41 ARG CG . 30247 1 512 . 1 1 41 41 ARG CD C 13 42.866 0.000 . . . . . . A 41 ARG CD . 30247 1 513 . 1 1 41 41 ARG N N 15 126.222 0.300 . . . . . . A 41 ARG N . 30247 1 514 . 1 1 42 42 GLY H H 1 9.154 0.020 . . . . . . A 42 GLY H . 30247 1 515 . 1 1 42 42 GLY HA2 H 1 3.840 0.020 . . . . . . A 42 GLY HA2 . 30247 1 516 . 1 1 42 42 GLY HA3 H 1 3.543 0.020 . . . . . . A 42 GLY HA3 . 30247 1 517 . 1 1 42 42 GLY C C 13 176.620 0.000 . . . . . . A 42 GLY C . 30247 1 518 . 1 1 42 42 GLY CA C 13 46.816 0.300 . . . . . . A 42 GLY CA . 30247 1 519 . 1 1 42 42 GLY N N 15 118.592 0.300 . . . . . . A 42 GLY N . 30247 1 520 . 1 1 43 43 ASN H H 1 8.714 0.020 . . . . . . A 43 ASN H . 30247 1 521 . 1 1 43 43 ASN HA H 1 4.861 0.020 . . . . . . A 43 ASN HA . 30247 1 522 . 1 1 43 43 ASN HB2 H 1 2.987 0.020 . . . . . . A 43 ASN HB2 . 30247 1 523 . 1 1 43 43 ASN HB3 H 1 2.677 0.020 . . . . . . A 43 ASN HB3 . 30247 1 524 . 1 1 43 43 ASN HD21 H 1 7.579 0.000 . . . . . . A 43 ASN HD21 . 30247 1 525 . 1 1 43 43 ASN HD22 H 1 6.945 0.000 . . . . . . A 43 ASN HD22 . 30247 1 526 . 1 1 43 43 ASN C C 13 176.370 0.000 . . . . . . A 43 ASN C . 30247 1 527 . 1 1 43 43 ASN CA C 13 52.139 0.300 . . . . . . A 43 ASN CA . 30247 1 528 . 1 1 43 43 ASN CB C 13 38.788 0.300 . . . . . . A 43 ASN CB . 30247 1 529 . 1 1 43 43 ASN N N 15 123.806 0.300 . . . . . . A 43 ASN N . 30247 1 530 . 1 1 43 43 ASN ND2 N 15 111.500 0.000 . . . . . . A 43 ASN ND2 . 30247 1 531 . 1 1 44 44 THR H H 1 8.132 0.020 . . . . . . A 44 THR H . 30247 1 532 . 1 1 44 44 THR HA H 1 5.171 0.020 . . . . . . A 44 THR HA . 30247 1 533 . 1 1 44 44 THR HB H 1 4.111 0.020 . . . . . . A 44 THR HB . 30247 1 534 . 1 1 44 44 THR HG21 H 1 1.571 0.000 . . . . . . A 44 THR HG21 . 30247 1 535 . 1 1 44 44 THR HG22 H 1 1.571 0.000 . . . . . . A 44 THR HG22 . 30247 1 536 . 1 1 44 44 THR HG23 H 1 1.571 0.000 . . . . . . A 44 THR HG23 . 30247 1 537 . 1 1 44 44 THR C C 13 175.390 0.000 . . . . . . A 44 THR C . 30247 1 538 . 1 1 44 44 THR CA C 13 62.228 0.300 . . . . . . A 44 THR CA . 30247 1 539 . 1 1 44 44 THR CB C 13 70.596 0.300 . . . . . . A 44 THR CB . 30247 1 540 . 1 1 44 44 THR CG2 C 13 22.047 0.000 . . . . . . A 44 THR CG2 . 30247 1 541 . 1 1 44 44 THR N N 15 116.682 0.300 . . . . . . A 44 THR N . 30247 1 542 . 1 1 45 45 TYR H H 1 9.484 0.020 . . . . . . A 45 TYR H . 30247 1 543 . 1 1 45 45 TYR HA H 1 5.455 0.020 . . . . . . A 45 TYR HA . 30247 1 544 . 1 1 45 45 TYR HB2 H 1 2.828 0.020 . . . . . . A 45 TYR HB2 . 30247 1 545 . 1 1 45 45 TYR HB3 H 1 2.727 0.020 . . . . . . A 45 TYR HB3 . 30247 1 546 . 1 1 45 45 TYR HD1 H 1 7.051 0.000 . . . . . . A 45 TYR HD1 . 30247 1 547 . 1 1 45 45 TYR HD2 H 1 7.051 0.000 . . . . . . A 45 TYR HD2 . 30247 1 548 . 1 1 45 45 TYR HE1 H 1 6.731 0.000 . . . . . . A 45 TYR HE1 . 30247 1 549 . 1 1 45 45 TYR HE2 H 1 6.731 0.000 . . . . . . A 45 TYR HE2 . 30247 1 550 . 1 1 45 45 TYR C C 13 178.490 0.000 . . . . . . A 45 TYR C . 30247 1 551 . 1 1 45 45 TYR CA C 13 55.800 0.300 . . . . . . A 45 TYR CA . 30247 1 552 . 1 1 45 45 TYR CB C 13 41.137 0.300 . . . . . . A 45 TYR CB . 30247 1 553 . 1 1 45 45 TYR CD1 C 13 132.984 0.000 . . . . . . A 45 TYR CD1 . 30247 1 554 . 1 1 45 45 TYR CE1 C 13 117.530 0.000 . . . . . . A 45 TYR CE1 . 30247 1 555 . 1 1 45 45 TYR N N 15 122.700 0.300 . . . . . . A 45 TYR N . 30247 1 556 . 1 1 46 46 LEU H H 1 9.547 0.020 . . . . . . A 46 LEU H . 30247 1 557 . 1 1 46 46 LEU HA H 1 5.585 0.020 . . . . . . A 46 LEU HA . 30247 1 558 . 1 1 46 46 LEU HB2 H 1 2.121 0.020 . . . . . . A 46 LEU HB2 . 30247 1 559 . 1 1 46 46 LEU HB3 H 1 1.410 0.020 . . . . . . A 46 LEU HB3 . 30247 1 560 . 1 1 46 46 LEU HG H 1 1.699 0.000 . . . . . . A 46 LEU HG . 30247 1 561 . 1 1 46 46 LEU HD11 H 1 0.782 0.000 . . . . . . A 46 LEU HD11 . 30247 1 562 . 1 1 46 46 LEU HD12 H 1 0.782 0.000 . . . . . . A 46 LEU HD12 . 30247 1 563 . 1 1 46 46 LEU HD13 H 1 0.782 0.000 . . . . . . A 46 LEU HD13 . 30247 1 564 . 1 1 46 46 LEU HD21 H 1 0.762 0.000 . . . . . . A 46 LEU HD21 . 30247 1 565 . 1 1 46 46 LEU HD22 H 1 0.762 0.000 . . . . . . A 46 LEU HD22 . 30247 1 566 . 1 1 46 46 LEU HD23 H 1 0.762 0.000 . . . . . . A 46 LEU HD23 . 30247 1 567 . 1 1 46 46 LEU C C 13 179.710 0.000 . . . . . . A 46 LEU C . 30247 1 568 . 1 1 46 46 LEU CA C 13 54.271 0.300 . . . . . . A 46 LEU CA . 30247 1 569 . 1 1 46 46 LEU CB C 13 42.768 0.300 . . . . . . A 46 LEU CB . 30247 1 570 . 1 1 46 46 LEU CG C 13 27.772 0.000 . . . . . . A 46 LEU CG . 30247 1 571 . 1 1 46 46 LEU CD1 C 13 25.380 0.000 . . . . . . A 46 LEU CD1 . 30247 1 572 . 1 1 46 46 LEU CD2 C 13 24.420 0.000 . . . . . . A 46 LEU CD2 . 30247 1 573 . 1 1 46 46 LEU N N 15 126.258 0.300 . . . . . . A 46 LEU N . 30247 1 574 . 1 1 47 47 CYS H H 1 9.822 0.020 . . . . . . A 47 CYS H . 30247 1 575 . 1 1 47 47 CYS HA H 1 5.921 0.020 . . . . . . A 47 CYS HA . 30247 1 576 . 1 1 47 47 CYS HB2 H 1 2.974 0.020 . . . . . . A 47 CYS HB2 . 30247 1 577 . 1 1 47 47 CYS HB3 H 1 2.509 0.020 . . . . . . A 47 CYS HB3 . 30247 1 578 . 1 1 47 47 CYS C C 13 175.200 0.000 . . . . . . A 47 CYS C . 30247 1 579 . 1 1 47 47 CYS CA C 13 57.076 0.300 . . . . . . A 47 CYS CA . 30247 1 580 . 1 1 47 47 CYS CB C 13 33.782 0.300 . . . . . . A 47 CYS CB . 30247 1 581 . 1 1 47 47 CYS N N 15 122.262 0.300 . . . . . . A 47 CYS N . 30247 1 582 . 1 1 48 48 PHE H H 1 9.402 0.020 . . . . . . A 48 PHE H . 30247 1 583 . 1 1 48 48 PHE HA H 1 6.179 0.020 . . . . . . A 48 PHE HA . 30247 1 584 . 1 1 48 48 PHE HB2 H 1 3.413 0.020 . . . . . . A 48 PHE HB2 . 30247 1 585 . 1 1 48 48 PHE HB3 H 1 3.116 0.020 . . . . . . A 48 PHE HB3 . 30247 1 586 . 1 1 48 48 PHE HD1 H 1 7.179 0.020 . . . . . . A 48 PHE HD1 . 30247 1 587 . 1 1 48 48 PHE HD2 H 1 7.179 0.020 . . . . . . A 48 PHE HD2 . 30247 1 588 . 1 1 48 48 PHE HE1 H 1 7.223 0.000 . . . . . . A 48 PHE HE1 . 30247 1 589 . 1 1 48 48 PHE HE2 H 1 7.223 0.000 . . . . . . A 48 PHE HE2 . 30247 1 590 . 1 1 48 48 PHE HZ H 1 7.320 0.000 . . . . . . A 48 PHE HZ . 30247 1 591 . 1 1 48 48 PHE C C 13 176.580 0.000 . . . . . . A 48 PHE C . 30247 1 592 . 1 1 48 48 PHE CA C 13 55.897 0.300 . . . . . . A 48 PHE CA . 30247 1 593 . 1 1 48 48 PHE CB C 13 42.260 0.300 . . . . . . A 48 PHE CB . 30247 1 594 . 1 1 48 48 PHE CD1 C 13 132.389 0.300 . . . . . . A 48 PHE CD1 . 30247 1 595 . 1 1 48 48 PHE CE1 C 13 130.911 0.000 . . . . . . A 48 PHE CE1 . 30247 1 596 . 1 1 48 48 PHE CZ C 13 129.885 0.000 . . . . . . A 48 PHE CZ . 30247 1 597 . 1 1 48 48 PHE N N 15 115.164 0.300 . . . . . . A 48 PHE N . 30247 1 598 . 1 1 49 49 ASP H H 1 8.804 0.020 . . . . . . A 49 ASP H . 30247 1 599 . 1 1 49 49 ASP HA H 1 4.770 0.020 . . . . . . A 49 ASP HA . 30247 1 600 . 1 1 49 49 ASP HB2 H 1 3.413 0.020 . . . . . . A 49 ASP HB2 . 30247 1 601 . 1 1 49 49 ASP HB3 H 1 2.612 0.020 . . . . . . A 49 ASP HB3 . 30247 1 602 . 1 1 49 49 ASP C C 13 178.240 0.000 . . . . . . A 49 ASP C . 30247 1 603 . 1 1 49 49 ASP CA C 13 52.400 0.300 . . . . . . A 49 ASP CA . 30247 1 604 . 1 1 49 49 ASP CB C 13 41.607 0.300 . . . . . . A 49 ASP CB . 30247 1 605 . 1 1 49 49 ASP N N 15 120.813 0.300 . . . . . . A 49 ASP N . 30247 1 606 . 1 1 50 50 ASP H H 1 8.070 0.020 . . . . . . A 50 ASP H . 30247 1 607 . 1 1 50 50 ASP HA H 1 4.525 0.020 . . . . . . A 50 ASP HA . 30247 1 608 . 1 1 50 50 ASP HB2 H 1 2.841 0.020 . . . . . . A 50 ASP HB2 . 30247 1 609 . 1 1 50 50 ASP HB3 H 1 2.755 0.020 . . . . . . A 50 ASP HB3 . 30247 1 610 . 1 1 50 50 ASP C C 13 180.050 0.000 . . . . . . A 50 ASP C . 30247 1 611 . 1 1 50 50 ASP CA C 13 57.146 0.300 . . . . . . A 50 ASP CA . 30247 1 612 . 1 1 50 50 ASP CB C 13 40.596 0.300 . . . . . . A 50 ASP CB . 30247 1 613 . 1 1 50 50 ASP N N 15 111.784 0.300 . . . . . . A 50 ASP N . 30247 1 614 . 1 1 51 51 THR H H 1 8.372 0.020 . . . . . . A 51 THR H . 30247 1 615 . 1 1 51 51 THR HA H 1 4.590 0.020 . . . . . . A 51 THR HA . 30247 1 616 . 1 1 51 51 THR HB H 1 4.253 0.020 . . . . . . A 51 THR HB . 30247 1 617 . 1 1 51 51 THR HG21 H 1 1.160 0.000 . . . . . . A 51 THR HG21 . 30247 1 618 . 1 1 51 51 THR HG22 H 1 1.160 0.000 . . . . . . A 51 THR HG22 . 30247 1 619 . 1 1 51 51 THR HG23 H 1 1.160 0.000 . . . . . . A 51 THR HG23 . 30247 1 620 . 1 1 51 51 THR C C 13 176.650 0.000 . . . . . . A 51 THR C . 30247 1 621 . 1 1 51 51 THR CA C 13 62.344 0.300 . . . . . . A 51 THR CA . 30247 1 622 . 1 1 51 51 THR CB C 13 71.321 0.300 . . . . . . A 51 THR CB . 30247 1 623 . 1 1 51 51 THR CG2 C 13 21.038 0.000 . . . . . . A 51 THR CG2 . 30247 1 624 . 1 1 51 51 THR N N 15 105.893 0.300 . . . . . . A 51 THR N . 30247 1 625 . 1 1 52 52 ASN H H 1 9.180 0.020 . . . . . . A 52 ASN H . 30247 1 626 . 1 1 52 52 ASN HA H 1 5.081 0.020 . . . . . . A 52 ASN HA . 30247 1 627 . 1 1 52 52 ASN HB2 H 1 2.353 0.020 . . . . . . A 52 ASN HB2 . 30247 1 628 . 1 1 52 52 ASN HB3 H 1 2.198 0.020 . . . . . . A 52 ASN HB3 . 30247 1 629 . 1 1 52 52 ASN HD21 H 1 7.579 0.000 . . . . . . A 52 ASN HD21 . 30247 1 630 . 1 1 52 52 ASN HD22 H 1 7.106 0.000 . . . . . . A 52 ASN HD22 . 30247 1 631 . 1 1 52 52 ASN C C 13 174.400 0.000 . . . . . . A 52 ASN C . 30247 1 632 . 1 1 52 52 ASN CA C 13 52.920 0.300 . . . . . . A 52 ASN CA . 30247 1 633 . 1 1 52 52 ASN CB C 13 43.348 0.300 . . . . . . A 52 ASN CB . 30247 1 634 . 1 1 52 52 ASN N N 15 120.186 0.300 . . . . . . A 52 ASN N . 30247 1 635 . 1 1 52 52 ASN ND2 N 15 113.557 0.000 . . . . . . A 52 ASN ND2 . 30247 1 636 . 1 1 53 53 LEU H H 1 8.359 0.020 . . . . . . A 53 LEU H . 30247 1 637 . 1 1 53 53 LEU HA H 1 5.378 0.020 . . . . . . A 53 LEU HA . 30247 1 638 . 1 1 53 53 LEU HB2 H 1 1.526 0.020 . . . . . . A 53 LEU HB2 . 30247 1 639 . 1 1 53 53 LEU HB3 H 1 1.324 0.020 . . . . . . A 53 LEU HB3 . 30247 1 640 . 1 1 53 53 LEU HG H 1 1.363 0.000 . . . . . . A 53 LEU HG . 30247 1 641 . 1 1 53 53 LEU HD11 H 1 0.314 0.000 . . . . . . A 53 LEU HD11 . 30247 1 642 . 1 1 53 53 LEU HD12 H 1 0.314 0.000 . . . . . . A 53 LEU HD12 . 30247 1 643 . 1 1 53 53 LEU HD13 H 1 0.314 0.000 . . . . . . A 53 LEU HD13 . 30247 1 644 . 1 1 53 53 LEU HD21 H 1 0.913 0.000 . . . . . . A 53 LEU HD21 . 30247 1 645 . 1 1 53 53 LEU HD22 H 1 0.913 0.000 . . . . . . A 53 LEU HD22 . 30247 1 646 . 1 1 53 53 LEU HD23 H 1 0.913 0.000 . . . . . . A 53 LEU HD23 . 30247 1 647 . 1 1 53 53 LEU C C 13 177.930 0.000 . . . . . . A 53 LEU C . 30247 1 648 . 1 1 53 53 LEU CA C 13 53.253 0.300 . . . . . . A 53 LEU CA . 30247 1 649 . 1 1 53 53 LEU CB C 13 45.008 0.300 . . . . . . A 53 LEU CB . 30247 1 650 . 1 1 53 53 LEU CG C 13 26.795 0.000 . . . . . . A 53 LEU CG . 30247 1 651 . 1 1 53 53 LEU CD1 C 13 26.882 0.000 . . . . . . A 53 LEU CD1 . 30247 1 652 . 1 1 53 53 LEU CD2 C 13 24.518 0.000 . . . . . . A 53 LEU CD2 . 30247 1 653 . 1 1 53 53 LEU N N 15 116.806 0.300 . . . . . . A 53 LEU N . 30247 1 654 . 1 1 54 54 TYR H H 1 8.885 0.020 . . . . . . A 54 TYR H . 30247 1 655 . 1 1 54 54 TYR HA H 1 5.294 0.020 . . . . . . A 54 TYR HA . 30247 1 656 . 1 1 54 54 TYR HB2 H 1 2.490 0.020 . . . . . . A 54 TYR HB2 . 30247 1 657 . 1 1 54 54 TYR HB3 H 1 2.025 0.020 . . . . . . A 54 TYR HB3 . 30247 1 658 . 1 1 54 54 TYR HD1 H 1 6.593 0.020 . . . . . . A 54 TYR HD1 . 30247 1 659 . 1 1 54 54 TYR HD2 H 1 6.593 0.020 . . . . . . A 54 TYR HD2 . 30247 1 660 . 1 1 54 54 TYR HE1 H 1 6.681 0.000 . . . . . . A 54 TYR HE1 . 30247 1 661 . 1 1 54 54 TYR HE2 H 1 6.681 0.000 . . . . . . A 54 TYR HE2 . 30247 1 662 . 1 1 54 54 TYR C C 13 177.590 0.000 . . . . . . A 54 TYR C . 30247 1 663 . 1 1 54 54 TYR CA C 13 55.578 0.300 . . . . . . A 54 TYR CA . 30247 1 664 . 1 1 54 54 TYR CB C 13 43.420 0.300 . . . . . . A 54 TYR CB . 30247 1 665 . 1 1 54 54 TYR CD1 C 13 132.800 0.300 . . . . . . A 54 TYR CD1 . 30247 1 666 . 1 1 54 54 TYR CE1 C 13 117.862 0.000 . . . . . . A 54 TYR CE1 . 30247 1 667 . 1 1 54 54 TYR N N 15 114.005 0.300 . . . . . . A 54 TYR N . 30247 1 668 . 1 1 55 55 ALA H H 1 8.969 0.020 . . . . . . A 55 ALA H . 30247 1 669 . 1 1 55 55 ALA HA H 1 5.543 0.020 . . . . . . A 55 ALA HA . 30247 1 670 . 1 1 55 55 ALA HB1 H 1 1.115 0.020 . . . . . . A 55 ALA HB1 . 30247 1 671 . 1 1 55 55 ALA HB2 H 1 1.115 0.020 . . . . . . A 55 ALA HB2 . 30247 1 672 . 1 1 55 55 ALA HB3 H 1 1.115 0.020 . . . . . . A 55 ALA HB3 . 30247 1 673 . 1 1 55 55 ALA C C 13 179.390 0.000 . . . . . . A 55 ALA C . 30247 1 674 . 1 1 55 55 ALA CA C 13 50.505 0.300 . . . . . . A 55 ALA CA . 30247 1 675 . 1 1 55 55 ALA CB C 13 19.975 0.300 . . . . . . A 55 ALA CB . 30247 1 676 . 1 1 55 55 ALA N N 15 122.359 0.300 . . . . . . A 55 ALA N . 30247 1 677 . 1 1 56 56 ILE H H 1 9.552 0.020 . . . . . . A 56 ILE H . 30247 1 678 . 1 1 56 56 ILE HA H 1 4.964 0.020 . . . . . . A 56 ILE HA . 30247 1 679 . 1 1 56 56 ILE HB H 1 1.662 0.020 . . . . . . A 56 ILE HB . 30247 1 680 . 1 1 56 56 ILE HG12 H 1 1.140 0.000 . . . . . . A 56 ILE HG12 . 30247 1 681 . 1 1 56 56 ILE HG13 H 1 0.613 0.000 . . . . . . A 56 ILE HG13 . 30247 1 682 . 1 1 56 56 ILE HG21 H 1 0.611 0.000 . . . . . . A 56 ILE HG21 . 30247 1 683 . 1 1 56 56 ILE HG22 H 1 0.611 0.000 . . . . . . A 56 ILE HG22 . 30247 1 684 . 1 1 56 56 ILE HG23 H 1 0.611 0.000 . . . . . . A 56 ILE HG23 . 30247 1 685 . 1 1 56 56 ILE HD11 H 1 -0.223 0.000 . . . . . . A 56 ILE HD11 . 30247 1 686 . 1 1 56 56 ILE HD12 H 1 -0.223 0.000 . . . . . . A 56 ILE HD12 . 30247 1 687 . 1 1 56 56 ILE HD13 H 1 -0.223 0.000 . . . . . . A 56 ILE HD13 . 30247 1 688 . 1 1 56 56 ILE C C 13 177.850 0.000 . . . . . . A 56 ILE C . 30247 1 689 . 1 1 56 56 ILE CA C 13 60.921 0.300 . . . . . . A 56 ILE CA . 30247 1 690 . 1 1 56 56 ILE CB C 13 39.797 0.300 . . . . . . A 56 ILE CB . 30247 1 691 . 1 1 56 56 ILE CG1 C 13 27.940 0.000 . . . . . . A 56 ILE CG1 . 30247 1 692 . 1 1 56 56 ILE CG2 C 13 16.654 0.000 . . . . . . A 56 ILE CG2 . 30247 1 693 . 1 1 56 56 ILE CD1 C 13 11.607 0.000 . . . . . . A 56 ILE CD1 . 30247 1 694 . 1 1 56 56 ILE N N 15 124.628 0.300 . . . . . . A 56 ILE N . 30247 1 695 . 1 1 57 57 THR H H 1 8.594 0.020 . . . . . . A 57 THR H . 30247 1 696 . 1 1 57 57 THR HA H 1 4.901 0.020 . . . . . . A 57 THR HA . 30247 1 697 . 1 1 57 57 THR HB H 1 4.033 0.020 . . . . . . A 57 THR HB . 30247 1 698 . 1 1 57 57 THR HG21 H 1 1.140 0.000 . . . . . . A 57 THR HG21 . 30247 1 699 . 1 1 57 57 THR HG22 H 1 1.140 0.000 . . . . . . A 57 THR HG22 . 30247 1 700 . 1 1 57 57 THR HG23 H 1 1.140 0.000 . . . . . . A 57 THR HG23 . 30247 1 701 . 1 1 57 57 THR C C 13 178.360 0.000 . . . . . . A 57 THR C . 30247 1 702 . 1 1 57 57 THR CA C 13 60.100 0.300 . . . . . . A 57 THR CA . 30247 1 703 . 1 1 57 57 THR CB C 13 70.350 0.300 . . . . . . A 57 THR CB . 30247 1 704 . 1 1 57 57 THR CG2 C 13 20.455 0.000 . . . . . . A 57 THR CG2 . 30247 1 705 . 1 1 57 57 THR N N 15 124.242 0.300 . . . . . . A 57 THR N . 30247 1 706 . 1 1 58 58 GLY H H 1 9.604 0.020 . . . . . . A 58 GLY H . 30247 1 707 . 1 1 58 58 GLY HA2 H 1 3.971 0.020 . . . . . . A 58 GLY HA2 . 30247 1 708 . 1 1 58 58 GLY HA3 H 1 3.638 0.020 . . . . . . A 58 GLY HA3 . 30247 1 709 . 1 1 58 58 GLY C C 13 173.740 0.000 . . . . . . A 58 GLY C . 30247 1 710 . 1 1 58 58 GLY CA C 13 47.243 0.300 . . . . . . A 58 GLY CA . 30247 1 711 . 1 1 58 58 GLY N N 15 118.737 0.300 . . . . . . A 58 GLY N . 30247 1 712 . 1 1 59 59 ASP H H 1 8.460 0.020 . . . . . . A 59 ASP H . 30247 1 713 . 1 1 59 59 ASP HA H 1 4.650 0.020 . . . . . . A 59 ASP HA . 30247 1 714 . 1 1 59 59 ASP HB2 H 1 2.712 0.020 . . . . . . A 59 ASP HB2 . 30247 1 715 . 1 1 59 59 ASP HB3 H 1 2.712 0.020 . . . . . . A 59 ASP HB3 . 30247 1 716 . 1 1 59 59 ASP C C 13 177.720 0.000 . . . . . . A 59 ASP C . 30247 1 717 . 1 1 59 59 ASP CA C 13 53.167 0.300 . . . . . . A 59 ASP CA . 30247 1 718 . 1 1 59 59 ASP CB C 13 40.304 0.300 . . . . . . A 59 ASP CB . 30247 1 719 . 1 1 59 59 ASP N N 15 124.120 0.300 . . . . . . A 59 ASP N . 30247 1 720 . 1 1 60 60 VAL H H 1 8.043 0.020 . . . . . . A 60 VAL H . 30247 1 721 . 1 1 60 60 VAL HA H 1 3.909 0.020 . . . . . . A 60 VAL HA . 30247 1 722 . 1 1 60 60 VAL HB H 1 2.268 0.020 . . . . . . A 60 VAL HB . 30247 1 723 . 1 1 60 60 VAL HG11 H 1 0.856 0.000 . . . . . . A 60 VAL HG11 . 30247 1 724 . 1 1 60 60 VAL HG12 H 1 0.856 0.000 . . . . . . A 60 VAL HG12 . 30247 1 725 . 1 1 60 60 VAL HG13 H 1 0.856 0.000 . . . . . . A 60 VAL HG13 . 30247 1 726 . 1 1 60 60 VAL HG21 H 1 0.998 0.000 . . . . . . A 60 VAL HG21 . 30247 1 727 . 1 1 60 60 VAL HG22 H 1 0.998 0.000 . . . . . . A 60 VAL HG22 . 30247 1 728 . 1 1 60 60 VAL HG23 H 1 0.998 0.000 . . . . . . A 60 VAL HG23 . 30247 1 729 . 1 1 60 60 VAL C C 13 177.120 0.000 . . . . . . A 60 VAL C . 30247 1 730 . 1 1 60 60 VAL CA C 13 62.987 0.300 . . . . . . A 60 VAL CA . 30247 1 731 . 1 1 60 60 VAL CB C 13 31.772 0.300 . . . . . . A 60 VAL CB . 30247 1 732 . 1 1 60 60 VAL CG1 C 13 20.807 0.000 . . . . . . A 60 VAL CG1 . 30247 1 733 . 1 1 60 60 VAL CG2 C 13 21.113 0.000 . . . . . . A 60 VAL CG2 . 30247 1 734 . 1 1 60 60 VAL N N 15 120.717 0.300 . . . . . . A 60 VAL N . 30247 1 735 . 1 1 61 61 VAL H H 1 8.356 0.020 . . . . . . A 61 VAL H . 30247 1 736 . 1 1 61 61 VAL HA H 1 4.194 0.020 . . . . . . A 61 VAL HA . 30247 1 737 . 1 1 61 61 VAL HB H 1 1.880 0.020 . . . . . . A 61 VAL HB . 30247 1 738 . 1 1 61 61 VAL HG11 H 1 1.664 0.000 . . . . . . A 61 VAL HG11 . 30247 1 739 . 1 1 61 61 VAL HG12 H 1 1.664 0.000 . . . . . . A 61 VAL HG12 . 30247 1 740 . 1 1 61 61 VAL HG13 H 1 1.664 0.000 . . . . . . A 61 VAL HG13 . 30247 1 741 . 1 1 61 61 VAL HG21 H 1 0.602 0.000 . . . . . . A 61 VAL HG21 . 30247 1 742 . 1 1 61 61 VAL HG22 H 1 0.602 0.000 . . . . . . A 61 VAL HG22 . 30247 1 743 . 1 1 61 61 VAL HG23 H 1 0.602 0.000 . . . . . . A 61 VAL HG23 . 30247 1 744 . 1 1 61 61 VAL C C 13 177.550 0.000 . . . . . . A 61 VAL C . 30247 1 745 . 1 1 61 61 VAL CA C 13 61.262 0.300 . . . . . . A 61 VAL CA . 30247 1 746 . 1 1 61 61 VAL CB C 13 33.002 0.300 . . . . . . A 61 VAL CB . 30247 1 747 . 1 1 61 61 VAL CG1 C 13 22.534 0.000 . . . . . . A 61 VAL CG1 . 30247 1 748 . 1 1 61 61 VAL CG2 C 13 20.800 0.000 . . . . . . A 61 VAL CG2 . 30247 1 749 . 1 1 61 61 VAL N N 15 126.415 0.300 . . . . . . A 61 VAL N . 30247 1 750 . 1 1 62 62 LEU H H 1 8.869 0.020 . . . . . . A 62 LEU H . 30247 1 751 . 1 1 62 62 LEU HA H 1 4.466 0.020 . . . . . . A 62 LEU HA . 30247 1 752 . 1 1 62 62 LEU HB2 H 1 1.445 0.020 . . . . . . A 62 LEU HB2 . 30247 1 753 . 1 1 62 62 LEU HB3 H 1 1.221 0.020 . . . . . . A 62 LEU HB3 . 30247 1 754 . 1 1 62 62 LEU HG H 1 0.536 0.000 . . . . . . A 62 LEU HG . 30247 1 755 . 1 1 62 62 LEU HD11 H 1 0.709 0.000 . . . . . . A 62 LEU HD11 . 30247 1 756 . 1 1 62 62 LEU HD12 H 1 0.709 0.000 . . . . . . A 62 LEU HD12 . 30247 1 757 . 1 1 62 62 LEU HD13 H 1 0.709 0.000 . . . . . . A 62 LEU HD13 . 30247 1 758 . 1 1 62 62 LEU HD21 H 1 0.878 0.000 . . . . . . A 62 LEU HD21 . 30247 1 759 . 1 1 62 62 LEU HD22 H 1 0.878 0.000 . . . . . . A 62 LEU HD22 . 30247 1 760 . 1 1 62 62 LEU HD23 H 1 0.878 0.000 . . . . . . A 62 LEU HD23 . 30247 1 761 . 1 1 62 62 LEU C C 13 176.650 0.000 . . . . . . A 62 LEU C . 30247 1 762 . 1 1 62 62 LEU CA C 13 53.167 0.300 . . . . . . A 62 LEU CA . 30247 1 763 . 1 1 62 62 LEU CB C 13 43.203 0.300 . . . . . . A 62 LEU CB . 30247 1 764 . 1 1 62 62 LEU CG C 13 24.526 0.000 . . . . . . A 62 LEU CG . 30247 1 765 . 1 1 62 62 LEU CD1 C 13 23.640 0.000 . . . . . . A 62 LEU CD1 . 30247 1 766 . 1 1 62 62 LEU CD2 C 13 26.425 0.000 . . . . . . A 62 LEU CD2 . 30247 1 767 . 1 1 62 62 LEU N N 15 130.471 0.300 . . . . . . A 62 LEU N . 30247 1 768 . 1 1 63 63 LYS H H 1 8.500 0.020 . . . . . . A 63 LYS H . 30247 1 769 . 1 1 63 63 LYS HA H 1 4.067 0.020 . . . . . . A 63 LYS HA . 30247 1 770 . 1 1 63 63 LYS HB2 H 1 1.480 0.020 . . . . . . A 63 LYS HB2 . 30247 1 771 . 1 1 63 63 LYS HB3 H 1 1.602 0.020 . . . . . . A 63 LYS HB3 . 30247 1 772 . 1 1 63 63 LYS HG2 H 1 1.076 0.000 . . . . . . A 63 LYS HG2 . 30247 1 773 . 1 1 63 63 LYS HG3 H 1 0.372 0.000 . . . . . . A 63 LYS HG3 . 30247 1 774 . 1 1 63 63 LYS HD2 H 1 1.444 0.000 . . . . . . A 63 LYS HD2 . 30247 1 775 . 1 1 63 63 LYS HD3 H 1 1.364 0.000 . . . . . . A 63 LYS HD3 . 30247 1 776 . 1 1 63 63 LYS HE2 H 1 2.794 0.000 . . . . . . A 63 LYS HE2 . 30247 1 777 . 1 1 63 63 LYS HE3 H 1 2.971 0.000 . . . . . . A 63 LYS HE3 . 30247 1 778 . 1 1 63 63 LYS C C 13 178.520 0.000 . . . . . . A 63 LYS C . 30247 1 779 . 1 1 63 63 LYS CA C 13 54.917 0.300 . . . . . . A 63 LYS CA . 30247 1 780 . 1 1 63 63 LYS CB C 13 33.658 0.300 . . . . . . A 63 LYS CB . 30247 1 781 . 1 1 63 63 LYS CG C 13 24.700 0.000 . . . . . . A 63 LYS CG . 30247 1 782 . 1 1 63 63 LYS CD C 13 28.570 0.000 . . . . . . A 63 LYS CD . 30247 1 783 . 1 1 63 63 LYS CE C 13 41.300 0.000 . . . . . . A 63 LYS CE . 30247 1 784 . 1 1 63 63 LYS N N 15 125.159 0.300 . . . . . . A 63 LYS N . 30247 1 785 . 1 1 64 64 PHE H H 1 8.202 0.020 . . . . . . A 64 PHE H . 30247 1 786 . 1 1 64 64 PHE HA H 1 4.552 0.020 . . . . . . A 64 PHE HA . 30247 1 787 . 1 1 64 64 PHE HB2 H 1 2.930 0.020 . . . . . . A 64 PHE HB2 . 30247 1 788 . 1 1 64 64 PHE HB3 H 1 2.457 0.020 . . . . . . A 64 PHE HB3 . 30247 1 789 . 1 1 64 64 PHE HD1 H 1 6.742 0.020 . . . . . . A 64 PHE HD1 . 30247 1 790 . 1 1 64 64 PHE HD2 H 1 6.742 0.020 . . . . . . A 64 PHE HD2 . 30247 1 791 . 1 1 64 64 PHE HE1 H 1 6.853 0.000 . . . . . . A 64 PHE HE1 . 30247 1 792 . 1 1 64 64 PHE HE2 H 1 6.853 0.000 . . . . . . A 64 PHE HE2 . 30247 1 793 . 1 1 64 64 PHE HZ H 1 5.813 0.000 . . . . . . A 64 PHE HZ . 30247 1 794 . 1 1 64 64 PHE C C 13 179.690 0.000 . . . . . . A 64 PHE C . 30247 1 795 . 1 1 64 64 PHE CA C 13 57.407 0.300 . . . . . . A 64 PHE CA . 30247 1 796 . 1 1 64 64 PHE CB C 13 38.716 0.300 . . . . . . A 64 PHE CB . 30247 1 797 . 1 1 64 64 PHE CD1 C 13 130.557 0.300 . . . . . . A 64 PHE CD1 . 30247 1 798 . 1 1 64 64 PHE CE1 C 13 130.259 0.000 . . . . . . A 64 PHE CE1 . 30247 1 799 . 1 1 64 64 PHE CZ C 13 128.987 0.000 . . . . . . A 64 PHE CZ . 30247 1 800 . 1 1 64 64 PHE N N 15 124.918 0.300 . . . . . . A 64 PHE N . 30247 1 801 . 1 1 65 65 ALA H H 1 9.539 0.020 . . . . . . A 65 ALA H . 30247 1 802 . 1 1 65 65 ALA HA H 1 4.056 0.000 . . . . . . A 65 ALA HA . 30247 1 803 . 1 1 65 65 ALA HB1 H 1 1.532 0.000 . . . . . . A 65 ALA HB1 . 30247 1 804 . 1 1 65 65 ALA HB2 H 1 1.532 0.000 . . . . . . A 65 ALA HB2 . 30247 1 805 . 1 1 65 65 ALA HB3 H 1 1.532 0.000 . . . . . . A 65 ALA HB3 . 30247 1 806 . 1 1 65 65 ALA CA C 13 54.338 0.300 . . . . . . A 65 ALA CA . 30247 1 807 . 1 1 65 65 ALA CB C 13 19.506 0.300 . . . . . . A 65 ALA CB . 30247 1 808 . 1 1 65 65 ALA N N 15 126.077 0.300 . . . . . . A 65 ALA N . 30247 1 809 . 1 1 66 66 THR H H 1 6.960 0.020 . . . . . . A 66 THR H . 30247 1 810 . 1 1 66 66 THR HA H 1 4.743 0.020 . . . . . . A 66 THR HA . 30247 1 811 . 1 1 66 66 THR HB H 1 4.639 0.020 . . . . . . A 66 THR HB . 30247 1 812 . 1 1 66 66 THR HG21 H 1 1.188 0.000 . . . . . . A 66 THR HG21 . 30247 1 813 . 1 1 66 66 THR HG22 H 1 1.188 0.000 . . . . . . A 66 THR HG22 . 30247 1 814 . 1 1 66 66 THR HG23 H 1 1.188 0.000 . . . . . . A 66 THR HG23 . 30247 1 815 . 1 1 66 66 THR C C 13 177.180 0.000 . . . . . . A 66 THR C . 30247 1 816 . 1 1 66 66 THR CA C 13 57.522 0.300 . . . . . . A 66 THR CA . 30247 1 817 . 1 1 66 66 THR CB C 13 72.770 0.300 . . . . . . A 66 THR CB . 30247 1 818 . 1 1 66 66 THR CG2 C 13 21.672 0.000 . . . . . . A 66 THR CG2 . 30247 1 819 . 1 1 66 66 THR N N 15 99.328 0.300 . . . . . . A 66 THR N . 30247 1 820 . 1 1 67 67 VAL H H 1 8.786 0.020 . . . . . . A 67 VAL H . 30247 1 821 . 1 1 67 67 VAL HA H 1 3.257 0.020 . . . . . . A 67 VAL HA . 30247 1 822 . 1 1 67 67 VAL HB H 1 1.885 0.020 . . . . . . A 67 VAL HB . 30247 1 823 . 1 1 67 67 VAL HG11 H 1 0.828 0.000 . . . . . . A 67 VAL HG11 . 30247 1 824 . 1 1 67 67 VAL HG12 H 1 0.828 0.000 . . . . . . A 67 VAL HG12 . 30247 1 825 . 1 1 67 67 VAL HG13 H 1 0.828 0.000 . . . . . . A 67 VAL HG13 . 30247 1 826 . 1 1 67 67 VAL HG21 H 1 0.686 0.000 . . . . . . A 67 VAL HG21 . 30247 1 827 . 1 1 67 67 VAL HG22 H 1 0.686 0.000 . . . . . . A 67 VAL HG22 . 30247 1 828 . 1 1 67 67 VAL HG23 H 1 0.686 0.000 . . . . . . A 67 VAL HG23 . 30247 1 829 . 1 1 67 67 VAL C C 13 180.370 0.000 . . . . . . A 67 VAL C . 30247 1 830 . 1 1 67 67 VAL CA C 13 65.668 0.300 . . . . . . A 67 VAL CA . 30247 1 831 . 1 1 67 67 VAL CB C 13 30.594 0.300 . . . . . . A 67 VAL CB . 30247 1 832 . 1 1 67 67 VAL CG1 C 13 22.207 0.000 . . . . . . A 67 VAL CG1 . 30247 1 833 . 1 1 67 67 VAL CG2 C 13 21.278 0.000 . . . . . . A 67 VAL CG2 . 30247 1 834 . 1 1 67 67 VAL N N 15 119.769 0.300 . . . . . . A 67 VAL N . 30247 1 835 . 1 1 68 68 SER H H 1 8.233 0.020 . . . . . . A 68 SER H . 30247 1 836 . 1 1 68 68 SER HA H 1 3.855 0.000 . . . . . . A 68 SER HA . 30247 1 837 . 1 1 68 68 SER C C 13 180.270 0.000 . . . . . . A 68 SER C . 30247 1 838 . 1 1 68 68 SER CA C 13 61.415 0.300 . . . . . . A 68 SER CA . 30247 1 839 . 1 1 68 68 SER CB C 13 40.380 0.300 . . . . . . A 68 SER CB . 30247 1 840 . 1 1 68 68 SER N N 15 113.169 0.300 . . . . . . A 68 SER N . 30247 1 841 . 1 1 69 69 LYS H H 1 7.581 0.020 . . . . . . A 69 LYS H . 30247 1 842 . 1 1 69 69 LYS HA H 1 4.094 0.020 . . . . . . A 69 LYS HA . 30247 1 843 . 1 1 69 69 LYS HB2 H 1 2.019 0.020 . . . . . . A 69 LYS HB2 . 30247 1 844 . 1 1 69 69 LYS HB3 H 1 2.019 0.020 . . . . . . A 69 LYS HB3 . 30247 1 845 . 1 1 69 69 LYS HG2 H 1 1.676 0.000 . . . . . . A 69 LYS HG2 . 30247 1 846 . 1 1 69 69 LYS HG3 H 1 1.818 0.000 . . . . . . A 69 LYS HG3 . 30247 1 847 . 1 1 69 69 LYS HD2 H 1 2.002 0.000 . . . . . . A 69 LYS HD2 . 30247 1 848 . 1 1 69 69 LYS HD3 H 1 1.626 0.000 . . . . . . A 69 LYS HD3 . 30247 1 849 . 1 1 69 69 LYS HE2 H 1 3.067 0.000 . . . . . . A 69 LYS HE2 . 30247 1 850 . 1 1 69 69 LYS HE3 H 1 2.704 0.000 . . . . . . A 69 LYS HE3 . 30247 1 851 . 1 1 69 69 LYS C C 13 181.200 0.000 . . . . . . A 69 LYS C . 30247 1 852 . 1 1 69 69 LYS CA C 13 57.988 0.300 . . . . . . A 69 LYS CA . 30247 1 853 . 1 1 69 69 LYS CB C 13 31.845 0.300 . . . . . . A 69 LYS CB . 30247 1 854 . 1 1 69 69 LYS CG C 13 25.101 0.000 . . . . . . A 69 LYS CG . 30247 1 855 . 1 1 69 69 LYS CD C 13 28.470 0.000 . . . . . . A 69 LYS CD . 30247 1 856 . 1 1 69 69 LYS CE C 13 41.740 0.000 . . . . . . A 69 LYS CE . 30247 1 857 . 1 1 69 69 LYS N N 15 120.462 0.300 . . . . . . A 69 LYS N . 30247 1 858 . 1 1 70 70 ALA H H 1 6.988 0.020 . . . . . . A 70 ALA H . 30247 1 859 . 1 1 70 70 ALA HA H 1 2.304 0.020 . . . . . . A 70 ALA HA . 30247 1 860 . 1 1 70 70 ALA HB1 H 1 0.613 0.020 . . . . . . A 70 ALA HB1 . 30247 1 861 . 1 1 70 70 ALA HB2 H 1 0.613 0.020 . . . . . . A 70 ALA HB2 . 30247 1 862 . 1 1 70 70 ALA HB3 H 1 0.613 0.020 . . . . . . A 70 ALA HB3 . 30247 1 863 . 1 1 70 70 ALA C C 13 180.860 0.000 . . . . . . A 70 ALA C . 30247 1 864 . 1 1 70 70 ALA CA C 13 54.073 0.300 . . . . . . A 70 ALA CA . 30247 1 865 . 1 1 70 70 ALA CB C 13 18.854 0.300 . . . . . . A 70 ALA CB . 30247 1 866 . 1 1 70 70 ALA N N 15 123.070 0.300 . . . . . . A 70 ALA N . 30247 1 867 . 1 1 71 71 ARG H H 1 8.214 0.020 . . . . . . A 71 ARG H . 30247 1 868 . 1 1 71 71 ARG HA H 1 3.797 0.020 . . . . . . A 71 ARG HA . 30247 1 869 . 1 1 71 71 ARG HB2 H 1 1.655 0.000 . . . . . . A 71 ARG HB2 . 30247 1 870 . 1 1 71 71 ARG HB3 H 1 1.835 0.020 . . . . . . A 71 ARG HB3 . 30247 1 871 . 1 1 71 71 ARG HD3 H 1 3.201 0.000 . . . . . . A 71 ARG HD3 . 30247 1 872 . 1 1 71 71 ARG HE H 1 7.514 0.000 . . . . . . A 71 ARG HE . 30247 1 873 . 1 1 71 71 ARG C C 13 180.820 0.000 . . . . . . A 71 ARG C . 30247 1 874 . 1 1 71 71 ARG CA C 13 58.888 0.300 . . . . . . A 71 ARG CA . 30247 1 875 . 1 1 71 71 ARG CB C 13 28.854 0.300 . . . . . . A 71 ARG CB . 30247 1 876 . 1 1 71 71 ARG CG C 13 26.930 0.000 . . . . . . A 71 ARG CG . 30247 1 877 . 1 1 71 71 ARG CD C 13 42.451 0.000 . . . . . . A 71 ARG CD . 30247 1 878 . 1 1 71 71 ARG N N 15 115.404 0.300 . . . . . . A 71 ARG N . 30247 1 879 . 1 1 71 71 ARG NE N 15 85.199 0.000 . . . . . . A 71 ARG NE . 30247 1 880 . 1 1 72 72 ALA H H 1 7.639 0.020 . . . . . . A 72 ALA H . 30247 1 881 . 1 1 72 72 ALA HA H 1 4.104 0.020 . . . . . . A 72 ALA HA . 30247 1 882 . 1 1 72 72 ALA HB1 H 1 1.431 0.020 . . . . . . A 72 ALA HB1 . 30247 1 883 . 1 1 72 72 ALA HB2 H 1 1.431 0.020 . . . . . . A 72 ALA HB2 . 30247 1 884 . 1 1 72 72 ALA HB3 H 1 1.431 0.020 . . . . . . A 72 ALA HB3 . 30247 1 885 . 1 1 72 72 ALA C C 13 171.830 0.000 . . . . . . A 72 ALA C . 30247 1 886 . 1 1 72 72 ALA CA C 13 54.358 0.300 . . . . . . A 72 ALA CA . 30247 1 887 . 1 1 72 72 ALA CB C 13 17.477 0.300 . . . . . . A 72 ALA CB . 30247 1 888 . 1 1 72 72 ALA N N 15 118.385 0.300 . . . . . . A 72 ALA N . 30247 1 889 . 1 1 73 73 TYR H H 1 7.493 0.020 . . . . . . A 73 TYR H . 30247 1 890 . 1 1 73 73 TYR HA H 1 4.099 0.020 . . . . . . A 73 TYR HA . 30247 1 891 . 1 1 73 73 TYR HB2 H 1 2.974 0.000 . . . . . . A 73 TYR HB2 . 30247 1 892 . 1 1 73 73 TYR HB3 H 1 2.926 0.020 . . . . . . A 73 TYR HB3 . 30247 1 893 . 1 1 73 73 TYR HD1 H 1 7.089 0.020 . . . . . . A 73 TYR HD1 . 30247 1 894 . 1 1 73 73 TYR HD2 H 1 7.089 0.020 . . . . . . A 73 TYR HD2 . 30247 1 895 . 1 1 73 73 TYR HE1 H 1 6.964 0.000 . . . . . . A 73 TYR HE1 . 30247 1 896 . 1 1 73 73 TYR HE2 H 1 6.964 0.000 . . . . . . A 73 TYR HE2 . 30247 1 897 . 1 1 73 73 TYR C C 13 170.710 0.000 . . . . . . A 73 TYR C . 30247 1 898 . 1 1 73 73 TYR CA C 13 61.103 0.300 . . . . . . A 73 TYR CA . 30247 1 899 . 1 1 73 73 TYR CB C 13 38.782 0.300 . . . . . . A 73 TYR CB . 30247 1 900 . 1 1 73 73 TYR CD1 C 13 133.063 0.300 . . . . . . A 73 TYR CD1 . 30247 1 901 . 1 1 73 73 TYR CE1 C 13 118.257 0.000 . . . . . . A 73 TYR CE1 . 30247 1 902 . 1 1 73 73 TYR N N 15 118.971 0.300 . . . . . . A 73 TYR N . 30247 1 903 . 1 1 74 74 LEU H H 1 7.828 0.020 . . . . . . A 74 LEU H . 30247 1 904 . 1 1 74 74 LEU HA H 1 3.923 0.020 . . . . . . A 74 LEU HA . 30247 1 905 . 1 1 74 74 LEU HB2 H 1 1.713 0.020 . . . . . . A 74 LEU HB2 . 30247 1 906 . 1 1 74 74 LEU HB3 H 1 1.478 0.020 . . . . . . A 74 LEU HB3 . 30247 1 907 . 1 1 74 74 LEU HD11 H 1 -0.053 0.000 . . . . . . A 74 LEU HD11 . 30247 1 908 . 1 1 74 74 LEU HD12 H 1 -0.053 0.000 . . . . . . A 74 LEU HD12 . 30247 1 909 . 1 1 74 74 LEU HD13 H 1 -0.053 0.000 . . . . . . A 74 LEU HD13 . 30247 1 910 . 1 1 74 74 LEU HD21 H 1 0.251 0.000 . . . . . . A 74 LEU HD21 . 30247 1 911 . 1 1 74 74 LEU HD22 H 1 0.251 0.000 . . . . . . A 74 LEU HD22 . 30247 1 912 . 1 1 74 74 LEU HD23 H 1 0.251 0.000 . . . . . . A 74 LEU HD23 . 30247 1 913 . 1 1 74 74 LEU CA C 13 57.088 0.300 . . . . . . A 74 LEU CA . 30247 1 914 . 1 1 74 74 LEU CB C 13 42.478 0.300 . . . . . . A 74 LEU CB . 30247 1 915 . 1 1 74 74 LEU CD1 C 13 22.857 0.000 . . . . . . A 74 LEU CD1 . 30247 1 916 . 1 1 74 74 LEU CD2 C 13 24.862 0.000 . . . . . . A 74 LEU CD2 . 30247 1 917 . 1 1 74 74 LEU N N 15 116.948 0.300 . . . . . . A 74 LEU N . 30247 1 918 . 1 1 75 75 GLU H H 1 7.511 0.020 . . . . . . A 75 GLU H . 30247 1 919 . 1 1 75 75 GLU HA H 1 4.240 0.020 . . . . . . A 75 GLU HA . 30247 1 920 . 1 1 75 75 GLU HB2 H 1 2.189 0.020 . . . . . . A 75 GLU HB2 . 30247 1 921 . 1 1 75 75 GLU HB3 H 1 2.001 0.020 . . . . . . A 75 GLU HB3 . 30247 1 922 . 1 1 75 75 GLU HG2 H 1 2.223 0.000 . . . . . . A 75 GLU HG2 . 30247 1 923 . 1 1 75 75 GLU HG3 H 1 2.445 0.000 . . . . . . A 75 GLU HG3 . 30247 1 924 . 1 1 75 75 GLU C C 13 178.970 0.000 . . . . . . A 75 GLU C . 30247 1 925 . 1 1 75 75 GLU CA C 13 56.523 0.300 . . . . . . A 75 GLU CA . 30247 1 926 . 1 1 75 75 GLU CB C 13 29.819 0.300 . . . . . . A 75 GLU CB . 30247 1 927 . 1 1 75 75 GLU CG C 13 36.180 0.000 . . . . . . A 75 GLU CG . 30247 1 928 . 1 1 75 75 GLU N N 15 113.807 0.300 . . . . . . A 75 GLU N . 30247 1 929 . 1 1 76 76 THR H H 1 7.651 0.020 . . . . . . A 76 THR H . 30247 1 930 . 1 1 76 76 THR HA H 1 4.312 0.020 . . . . . . A 76 THR HA . 30247 1 931 . 1 1 76 76 THR HB H 1 4.240 0.020 . . . . . . A 76 THR HB . 30247 1 932 . 1 1 76 76 THR HG21 H 1 1.261 0.000 . . . . . . A 76 THR HG21 . 30247 1 933 . 1 1 76 76 THR HG22 H 1 1.261 0.000 . . . . . . A 76 THR HG22 . 30247 1 934 . 1 1 76 76 THR HG23 H 1 1.261 0.000 . . . . . . A 76 THR HG23 . 30247 1 935 . 1 1 76 76 THR C C 13 176.070 0.000 . . . . . . A 76 THR C . 30247 1 936 . 1 1 76 76 THR CA C 13 62.500 0.300 . . . . . . A 76 THR CA . 30247 1 937 . 1 1 76 76 THR CB C 13 70.016 0.300 . . . . . . A 76 THR CB . 30247 1 938 . 1 1 76 76 THR CG2 C 13 20.918 0.000 . . . . . . A 76 THR CG2 . 30247 1 939 . 1 1 76 76 THR N N 15 114.352 0.300 . . . . . . A 76 THR N . 30247 1 940 . 1 1 77 77 LYS H H 1 8.174 0.020 . . . . . . A 77 LYS H . 30247 1 941 . 1 1 77 77 LYS HA H 1 4.087 0.020 . . . . . . A 77 LYS HA . 30247 1 942 . 1 1 77 77 LYS HB2 H 1 1.670 0.020 . . . . . . A 77 LYS HB2 . 30247 1 943 . 1 1 77 77 LYS HB3 H 1 1.382 0.020 . . . . . . A 77 LYS HB3 . 30247 1 944 . 1 1 77 77 LYS HD2 H 1 1.886 0.000 . . . . . . A 77 LYS HD2 . 30247 1 945 . 1 1 77 77 LYS HD3 H 1 1.766 0.000 . . . . . . A 77 LYS HD3 . 30247 1 946 . 1 1 77 77 LYS HE2 H 1 2.973 0.000 . . . . . . A 77 LYS HE2 . 30247 1 947 . 1 1 77 77 LYS HE3 H 1 3.202 0.000 . . . . . . A 77 LYS HE3 . 30247 1 948 . 1 1 77 77 LYS CA C 13 57.611 0.300 . . . . . . A 77 LYS CA . 30247 1 949 . 1 1 77 77 LYS CB C 13 33.041 0.300 . . . . . . A 77 LYS CB . 30247 1 950 . 1 1 77 77 LYS CD C 13 33.139 0.000 . . . . . . A 77 LYS CD . 30247 1 951 . 1 1 77 77 LYS CE C 13 41.038 0.000 . . . . . . A 77 LYS CE . 30247 1 952 . 1 1 77 77 LYS N N 15 129.032 0.300 . . . . . . A 77 LYS N . 30247 1 stop_ save_