################################### # 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 26307 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name AB42 _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 '3D (H)CCH' 1 $sample_1 anisotropic 26307 1 2 '3D (H)CA(CON)CAH' 1 $sample_1 anisotropic 26307 1 3 '3D (H)CANH' 1 $sample_1 anisotropic 26307 1 4 '3D (H)CA(CO)NH' 1 $sample_1 anisotropic 26307 1 5 '4D (H)CACONH' 1 $sample_1 anisotropic 26307 1 6 '3D (H)CX(CA)NH' 1 $sample_1 anisotropic 26307 1 7 '2D (H)CC' 1 $sample_1 anisotropic 26307 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 3 $software_3 . . 26307 1 4 $software_4 . . 26307 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 2 2 ALA HA H 1 4.200 0.070 . 1 . . . . . 2 ALA HA . 26307 1 2 . 1 . 1 2 2 ALA HB1 H 1 1.370 0.070 . 1 . . . . . 2 ALA HB . 26307 1 3 . 1 . 1 2 2 ALA HB2 H 1 1.370 0.070 . 1 . . . . . 2 ALA HB . 26307 1 4 . 1 . 1 2 2 ALA HB3 H 1 1.370 0.070 . 1 . . . . . 2 ALA HB . 26307 1 5 . 1 . 1 2 2 ALA CA C 13 52.900 0.200 . 1 . . . . . 2 ALA CA . 26307 1 6 . 1 . 1 2 2 ALA CB C 13 20.200 0.200 . 1 . . . . . 2 ALA CB . 26307 1 7 . 1 . 1 5 5 ARG HA H 1 5.710 0.070 . 1 . . . . . 5 ARG HA . 26307 1 8 . 1 . 1 5 5 ARG HB2 H 1 2.220 0.070 . 1 . . . . . 5 ARG HB2 . 26307 1 9 . 1 . 1 5 5 ARG HB3 H 1 2.220 0.070 . 1 . . . . . 5 ARG HB3 . 26307 1 10 . 1 . 1 5 5 ARG HG2 H 1 1.110 0.070 . 1 . . . . . 5 ARG HG2 . 26307 1 11 . 1 . 1 5 5 ARG HG3 H 1 1.110 0.070 . 1 . . . . . 5 ARG HG3 . 26307 1 12 . 1 . 1 5 5 ARG CA C 13 54.900 0.200 . 1 . . . . . 5 ARG CA . 26307 1 13 . 1 . 1 5 5 ARG CB C 13 30.200 0.200 . 1 . . . . . 5 ARG CB . 26307 1 14 . 1 . 1 5 5 ARG CD C 13 44.800 0.200 . 1 . . . . . 5 ARG CD . 26307 1 15 . 1 . 1 5 5 ARG CG C 13 28.300 0.200 . 1 . . . . . 5 ARG CG . 26307 1 16 . 1 . 1 8 8 SER HA H 1 5.800 0.070 . 1 . . . . . 8 SER HA . 26307 1 17 . 1 . 1 8 8 SER HB2 H 1 3.510 0.070 . 1 . . . . . 8 SER HB2 . 26307 1 18 . 1 . 1 8 8 SER HB3 H 1 3.510 0.070 . 1 . . . . . 8 SER HB3 . 26307 1 19 . 1 . 1 8 8 SER CA C 13 57.100 0.200 . 1 . . . . . 8 SER CA . 26307 1 20 . 1 . 1 8 8 SER CB C 13 67.000 0.200 . 1 . . . . . 8 SER CB . 26307 1 21 . 1 . 1 10 10 TYR HA H 1 4.980 0.070 . 1 . . . . . 10 TYR HA . 26307 1 22 . 1 . 1 10 10 TYR HB2 H 1 2.840 0.070 . 1 . . . . . 10 TYR HB2 . 26307 1 23 . 1 . 1 10 10 TYR HB3 H 1 2.840 0.070 . 1 . . . . . 10 TYR HB3 . 26307 1 24 . 1 . 1 10 10 TYR CA C 13 61.100 0.200 . 1 . . . . . 10 TYR CA . 26307 1 25 . 1 . 1 10 10 TYR CB C 13 40.400 0.200 . 1 . . . . . 10 TYR CB . 26307 1 26 . 1 . 1 10 10 TYR CD1 C 13 133.200 0.200 . 1 . . . . . 10 TYR CD1 . 26307 1 27 . 1 . 1 10 10 TYR CD2 C 13 133.200 0.200 . 1 . . . . . 10 TYR CD2 . 26307 1 28 . 1 . 1 10 10 TYR CE1 C 13 118.500 0.200 . 1 . . . . . 10 TYR CE1 . 26307 1 29 . 1 . 1 10 10 TYR CE2 C 13 118.500 0.200 . 1 . . . . . 10 TYR CE2 . 26307 1 30 . 1 . 1 10 10 TYR CZ C 13 156.800 0.200 . 1 . . . . . 10 TYR CZ . 26307 1 31 . 1 . 1 11 11 GLU H H 1 9.100 0.070 . 1 . . . . . 11 GLU H . 26307 1 32 . 1 . 1 11 11 GLU HA H 1 5.470 0.070 . 1 . . . . . 11 GLU HA . 26307 1 33 . 1 . 1 11 11 GLU HB2 H 1 1.930 0.070 . 1 . . . . . 11 GLU HB2 . 26307 1 34 . 1 . 1 11 11 GLU HB3 H 1 1.930 0.070 . 1 . . . . . 11 GLU HB3 . 26307 1 35 . 1 . 1 11 11 GLU HG2 H 1 2.520 0.070 . 2 . . . . . 11 GLU HG2 . 26307 1 36 . 1 . 1 11 11 GLU HG3 H 1 2.070 0.070 . 2 . . . . . 11 GLU HG3 . 26307 1 37 . 1 . 1 11 11 GLU C C 13 174.500 0.200 . 1 . . . . . 11 GLU C . 26307 1 38 . 1 . 1 11 11 GLU CA C 13 54.800 0.200 . 1 . . . . . 11 GLU CA . 26307 1 39 . 1 . 1 11 11 GLU CB C 13 33.200 0.200 . 1 . . . . . 11 GLU CB . 26307 1 40 . 1 . 1 11 11 GLU CG C 13 36.700 0.200 . 1 . . . . . 11 GLU CG . 26307 1 41 . 1 . 1 11 11 GLU N N 15 127.300 0.200 . 1 . . . . . 11 GLU N . 26307 1 42 . 1 . 1 12 12 VAL H H 1 8.320 0.070 . 1 . . . . . 12 VAL H . 26307 1 43 . 1 . 1 12 12 VAL HA H 1 5.380 0.070 . 1 . . . . . 12 VAL HA . 26307 1 44 . 1 . 1 12 12 VAL C C 13 175.300 0.200 . 1 . . . . . 12 VAL C . 26307 1 45 . 1 . 1 12 12 VAL CA C 13 60.400 0.200 . 1 . . . . . 12 VAL CA . 26307 1 46 . 1 . 1 12 12 VAL CB C 13 35.000 0.200 . 1 . . . . . 12 VAL CB . 26307 1 47 . 1 . 1 12 12 VAL CG1 C 13 21.600 0.200 . 2 . . . . . 12 VAL CG1 . 26307 1 48 . 1 . 1 12 12 VAL CG2 C 13 20.600 0.200 . 2 . . . . . 12 VAL CG2 . 26307 1 49 . 1 . 1 12 12 VAL N N 15 122.000 0.200 . 1 . . . . . 12 VAL N . 26307 1 50 . 1 . 1 13 13 HIS H H 1 9.000 0.070 . 1 . . . . . 13 HIS H . 26307 1 51 . 1 . 1 13 13 HIS HA H 1 5.960 0.070 . 1 . . . . . 13 HIS HA . 26307 1 52 . 1 . 1 13 13 HIS HB2 H 1 1.940 0.070 . 1 . . . . . 13 HIS HB2 . 26307 1 53 . 1 . 1 13 13 HIS HB3 H 1 1.940 0.070 . 1 . . . . . 13 HIS HB3 . 26307 1 54 . 1 . 1 13 13 HIS C C 13 176.000 0.200 . 1 . . . . . 13 HIS C . 26307 1 55 . 1 . 1 13 13 HIS CA C 13 53.600 0.200 . 1 . . . . . 13 HIS CA . 26307 1 56 . 1 . 1 13 13 HIS CB C 13 32.100 0.200 . 1 . . . . . 13 HIS CB . 26307 1 57 . 1 . 1 13 13 HIS CD2 C 13 117.500 0.200 . 1 . . . . . 13 HIS CD2 . 26307 1 58 . 1 . 1 13 13 HIS CG C 13 134.000 0.200 . 1 . . . . . 13 HIS CG . 26307 1 59 . 1 . 1 13 13 HIS N N 15 124.300 0.200 . 1 . . . . . 13 HIS N . 26307 1 60 . 1 . 1 14 14 HIS H H 1 8.710 0.070 . 1 . . . . . 14 HIS H . 26307 1 61 . 1 . 1 14 14 HIS HA H 1 5.460 0.070 . 1 . . . . . 14 HIS HA . 26307 1 62 . 1 . 1 14 14 HIS HB2 H 1 2.230 0.070 . 1 . . . . . 14 HIS HB2 . 26307 1 63 . 1 . 1 14 14 HIS HB3 H 1 2.230 0.070 . 1 . . . . . 14 HIS HB3 . 26307 1 64 . 1 . 1 14 14 HIS CA C 13 55.500 0.200 . 1 . . . . . 14 HIS CA . 26307 1 65 . 1 . 1 14 14 HIS CB C 13 32.700 0.200 . 1 . . . . . 14 HIS CB . 26307 1 66 . 1 . 1 14 14 HIS N N 15 122.300 0.200 . 1 . . . . . 14 HIS N . 26307 1 67 . 1 . 1 15 15 GLN H H 1 7.410 0.070 . 1 . . . . . 15 GLN H . 26307 1 68 . 1 . 1 15 15 GLN HA H 1 5.640 0.070 . 1 . . . . . 15 GLN HA . 26307 1 69 . 1 . 1 15 15 GLN HB2 H 1 2.650 0.070 . 2 . . . . . 15 GLN HB2 . 26307 1 70 . 1 . 1 15 15 GLN HB3 H 1 2.160 0.070 . 2 . . . . . 15 GLN HB3 . 26307 1 71 . 1 . 1 15 15 GLN HG2 H 1 2.440 0.070 . 1 . . . . . 15 GLN HG2 . 26307 1 72 . 1 . 1 15 15 GLN HG3 H 1 2.440 0.070 . 1 . . . . . 15 GLN HG3 . 26307 1 73 . 1 . 1 15 15 GLN C C 13 175.400 0.200 . 1 . . . . . 15 GLN C . 26307 1 74 . 1 . 1 15 15 GLN CA C 13 56.500 0.200 . 1 . . . . . 15 GLN CA . 26307 1 75 . 1 . 1 15 15 GLN CB C 13 30.500 0.200 . 1 . . . . . 15 GLN CB . 26307 1 76 . 1 . 1 15 15 GLN CG C 13 35.400 0.200 . 1 . . . . . 15 GLN CG . 26307 1 77 . 1 . 1 15 15 GLN N N 15 118.400 0.200 . 1 . . . . . 15 GLN N . 26307 1 78 . 1 . 1 16 16 LYS H H 1 8.440 0.070 . 1 . . . . . 16 LYS H . 26307 1 79 . 1 . 1 16 16 LYS HA H 1 5.610 0.070 . 1 . . . . . 16 LYS HA . 26307 1 80 . 1 . 1 16 16 LYS HB2 H 1 2.070 0.070 . 1 . . . . . 16 LYS HB2 . 26307 1 81 . 1 . 1 16 16 LYS HB3 H 1 2.070 0.070 . 1 . . . . . 16 LYS HB3 . 26307 1 82 . 1 . 1 16 16 LYS HD2 H 1 1.680 0.070 . 1 . . . . . 16 LYS HD2 . 26307 1 83 . 1 . 1 16 16 LYS HD3 H 1 1.680 0.070 . 1 . . . . . 16 LYS HD3 . 26307 1 84 . 1 . 1 16 16 LYS HG2 H 1 1.440 0.070 . 1 . . . . . 16 LYS HG2 . 26307 1 85 . 1 . 1 16 16 LYS HG3 H 1 1.440 0.070 . 1 . . . . . 16 LYS HG3 . 26307 1 86 . 1 . 1 16 16 LYS C C 13 174.600 0.200 . 1 . . . . . 16 LYS C . 26307 1 87 . 1 . 1 16 16 LYS CA C 13 54.500 0.200 . 1 . . . . . 16 LYS CA . 26307 1 88 . 1 . 1 16 16 LYS CB C 13 36.600 0.200 . 1 . . . . . 16 LYS CB . 26307 1 89 . 1 . 1 16 16 LYS CD C 13 30.100 0.200 . 1 . . . . . 16 LYS CD . 26307 1 90 . 1 . 1 16 16 LYS CG C 13 25.600 0.200 . 1 . . . . . 16 LYS CG . 26307 1 91 . 1 . 1 16 16 LYS N N 15 122.500 0.200 . 1 . . . . . 16 LYS N . 26307 1 92 . 1 . 1 17 17 LEU H H 1 8.960 0.070 . 1 . . . . . 17 LEU H . 26307 1 93 . 1 . 1 17 17 LEU HA H 1 5.640 0.070 . 1 . . . . . 17 LEU HA . 26307 1 94 . 1 . 1 17 17 LEU HB2 H 1 1.670 0.070 . 2 . . . . . 17 LEU HB2 . 26307 1 95 . 1 . 1 17 17 LEU HB3 H 1 1.410 0.070 . 2 . . . . . 17 LEU HB3 . 26307 1 96 . 1 . 1 17 17 LEU HD21 H 1 0.950 0.070 . 2 . . . . . 17 LEU HD2 . 26307 1 97 . 1 . 1 17 17 LEU HD22 H 1 0.950 0.070 . 2 . . . . . 17 LEU HD2 . 26307 1 98 . 1 . 1 17 17 LEU HD23 H 1 0.950 0.070 . 2 . . . . . 17 LEU HD2 . 26307 1 99 . 1 . 1 17 17 LEU HG H 1 2.060 0.070 . 1 . . . . . 17 LEU HG . 26307 1 100 . 1 . 1 17 17 LEU C C 13 174.500 0.200 . 1 . . . . . 17 LEU C . 26307 1 101 . 1 . 1 17 17 LEU CA C 13 55.100 0.200 . 1 . . . . . 17 LEU CA . 26307 1 102 . 1 . 1 17 17 LEU CB C 13 44.700 0.200 . 1 . . . . . 17 LEU CB . 26307 1 103 . 1 . 1 17 17 LEU CD1 C 13 26.300 0.200 . 2 . . . . . 17 LEU CD1 . 26307 1 104 . 1 . 1 17 17 LEU CD2 C 13 25.100 0.200 . 2 . . . . . 17 LEU CD2 . 26307 1 105 . 1 . 1 17 17 LEU CG C 13 30.100 0.200 . 1 . . . . . 17 LEU CG . 26307 1 106 . 1 . 1 17 17 LEU N N 15 128.600 0.200 . 1 . . . . . 17 LEU N . 26307 1 107 . 1 . 1 18 18 VAL H H 1 8.410 0.070 . 1 . . . . . 18 VAL H . 26307 1 108 . 1 . 1 18 18 VAL HA H 1 4.810 0.070 . 1 . . . . . 18 VAL HA . 26307 1 109 . 1 . 1 18 18 VAL C C 13 174.300 0.200 . 1 . . . . . 18 VAL C . 26307 1 110 . 1 . 1 18 18 VAL CA C 13 60.300 0.200 . 1 . . . . . 18 VAL CA . 26307 1 111 . 1 . 1 18 18 VAL CB C 13 35.000 0.200 . 1 . . . . . 18 VAL CB . 26307 1 112 . 1 . 1 18 18 VAL CG1 C 13 21.500 0.200 . 1 . . . . . 18 VAL CG1 . 26307 1 113 . 1 . 1 18 18 VAL CG2 C 13 21.500 0.200 . 1 . . . . . 18 VAL CG2 . 26307 1 114 . 1 . 1 18 18 VAL N N 15 121.700 0.200 . 1 . . . . . 18 VAL N . 26307 1 115 . 1 . 1 19 19 PHE H H 1 8.510 0.070 . 1 . . . . . 19 PHE H . 26307 1 116 . 1 . 1 19 19 PHE HA H 1 5.020 0.070 . 1 . . . . . 19 PHE HA . 26307 1 117 . 1 . 1 19 19 PHE HB2 H 1 3.040 0.070 . 2 . . . . . 19 PHE HB2 . 26307 1 118 . 1 . 1 19 19 PHE HB3 H 1 2.680 0.070 . 2 . . . . . 19 PHE HB3 . 26307 1 119 . 1 . 1 19 19 PHE C C 13 173.300 0.200 . 1 . . . . . 19 PHE C . 26307 1 120 . 1 . 1 19 19 PHE CA C 13 56.400 0.200 . 1 . . . . . 19 PHE CA . 26307 1 121 . 1 . 1 19 19 PHE CB C 13 42.300 0.200 . 1 . . . . . 19 PHE CB . 26307 1 122 . 1 . 1 19 19 PHE CD1 C 13 131.300 0.200 . 1 . . . . . 19 PHE CD1 . 26307 1 123 . 1 . 1 19 19 PHE CD2 C 13 131.300 0.200 . 1 . . . . . 19 PHE CD2 . 26307 1 124 . 1 . 1 19 19 PHE CG C 13 137.600 0.200 . 1 . . . . . 19 PHE CG . 26307 1 125 . 1 . 1 19 19 PHE N N 15 124.400 0.200 . 1 . . . . . 19 PHE N . 26307 1 126 . 1 . 1 20 20 PHE H H 1 9.340 0.070 . 1 . . . . . 20 PHE H . 26307 1 127 . 1 . 1 20 20 PHE HA H 1 5.440 0.070 . 1 . . . . . 20 PHE HA . 26307 1 128 . 1 . 1 20 20 PHE HB2 H 1 3.050 0.070 . 1 . . . . . 20 PHE HB2 . 26307 1 129 . 1 . 1 20 20 PHE HB3 H 1 3.050 0.070 . 1 . . . . . 20 PHE HB3 . 26307 1 130 . 1 . 1 20 20 PHE C C 13 176.000 0.200 . 1 . . . . . 20 PHE C . 26307 1 131 . 1 . 1 20 20 PHE CA C 13 57.200 0.200 . 1 . . . . . 20 PHE CA . 26307 1 132 . 1 . 1 20 20 PHE CB C 13 38.800 0.200 . 1 . . . . . 20 PHE CB . 26307 1 133 . 1 . 1 20 20 PHE CG C 13 139.300 0.200 . 1 . . . . . 20 PHE CG . 26307 1 134 . 1 . 1 20 20 PHE N N 15 125.500 0.200 . 1 . . . . . 20 PHE N . 26307 1 135 . 1 . 1 21 21 ALA H H 1 9.090 0.070 . 1 . . . . . 21 ALA H . 26307 1 136 . 1 . 1 21 21 ALA HA H 1 5.640 0.070 . 1 . . . . . 21 ALA HA . 26307 1 137 . 1 . 1 21 21 ALA HB1 H 1 1.300 0.070 . 1 . . . . . 21 ALA HB . 26307 1 138 . 1 . 1 21 21 ALA HB2 H 1 1.300 0.070 . 1 . . . . . 21 ALA HB . 26307 1 139 . 1 . 1 21 21 ALA HB3 H 1 1.300 0.070 . 1 . . . . . 21 ALA HB . 26307 1 140 . 1 . 1 21 21 ALA C C 13 176.200 0.200 . 1 . . . . . 21 ALA C . 26307 1 141 . 1 . 1 21 21 ALA CA C 13 50.700 0.200 . 1 . . . . . 21 ALA CA . 26307 1 142 . 1 . 1 21 21 ALA CB C 13 22.900 0.200 . 1 . . . . . 21 ALA CB . 26307 1 143 . 1 . 1 21 21 ALA N N 15 126.700 0.200 . 1 . . . . . 21 ALA N . 26307 1 144 . 1 . 1 22 22 GLU H H 1 8.000 0.070 . 1 . . . . . 22 GLU H . 26307 1 145 . 1 . 1 22 22 GLU HA H 1 5.060 0.070 . 1 . . . . . 22 GLU HA . 26307 1 146 . 1 . 1 22 22 GLU HB2 H 1 2.000 0.070 . 1 . . . . . 22 GLU HB2 . 26307 1 147 . 1 . 1 22 22 GLU HB3 H 1 2.000 0.070 . 1 . . . . . 22 GLU HB3 . 26307 1 148 . 1 . 1 22 22 GLU HG2 H 1 2.180 0.070 . 1 . . . . . 22 GLU HG2 . 26307 1 149 . 1 . 1 22 22 GLU HG3 H 1 2.180 0.070 . 1 . . . . . 22 GLU HG3 . 26307 1 150 . 1 . 1 22 22 GLU CA C 13 54.600 0.200 . 1 . . . . . 22 GLU CA . 26307 1 151 . 1 . 1 22 22 GLU CB C 13 33.000 0.200 . 1 . . . . . 22 GLU CB . 26307 1 152 . 1 . 1 22 22 GLU CG C 13 36.400 0.200 . 1 . . . . . 22 GLU CG . 26307 1 153 . 1 . 1 22 22 GLU N N 15 122.400 0.200 . 1 . . . . . 22 GLU N . 26307 1 154 . 1 . 1 23 23 ASP H H 1 8.800 0.070 . 1 . . . . . 23 ASP H . 26307 1 155 . 1 . 1 23 23 ASP HA H 1 5.520 0.070 . 1 . . . . . 23 ASP HA . 26307 1 156 . 1 . 1 23 23 ASP HB2 H 1 2.600 0.070 . 2 . . . . . 23 ASP HB2 . 26307 1 157 . 1 . 1 23 23 ASP HB3 H 1 2.310 0.070 . 2 . . . . . 23 ASP HB3 . 26307 1 158 . 1 . 1 23 23 ASP C C 13 174.500 0.200 . 1 . . . . . 23 ASP C . 26307 1 159 . 1 . 1 23 23 ASP CA C 13 54.600 0.200 . 1 . . . . . 23 ASP CA . 26307 1 160 . 1 . 1 23 23 ASP CB C 13 40.200 0.200 . 1 . . . . . 23 ASP CB . 26307 1 161 . 1 . 1 23 23 ASP CG C 13 179.700 0.200 . 1 . . . . . 23 ASP CG . 26307 1 162 . 1 . 1 23 23 ASP N N 15 125.800 0.200 . 1 . . . . . 23 ASP N . 26307 1 163 . 1 . 1 24 24 VAL H H 1 8.820 0.070 . 1 . . . . . 24 VAL H . 26307 1 164 . 1 . 1 24 24 VAL HA H 1 5.020 0.070 . 1 . . . . . 24 VAL HA . 26307 1 165 . 1 . 1 24 24 VAL C C 13 176.200 0.200 . 1 . . . . . 24 VAL C . 26307 1 166 . 1 . 1 24 24 VAL CA C 13 59.900 0.200 . 1 . . . . . 24 VAL CA . 26307 1 167 . 1 . 1 24 24 VAL CB C 13 33.900 0.200 . 1 . . . . . 24 VAL CB . 26307 1 168 . 1 . 1 24 24 VAL CG1 C 13 21.700 0.200 . 2 . . . . . 24 VAL CG1 . 26307 1 169 . 1 . 1 24 24 VAL CG2 C 13 20.900 0.200 . 2 . . . . . 24 VAL CG2 . 26307 1 170 . 1 . 1 24 24 VAL N N 15 122.300 0.200 . 1 . . . . . 24 VAL N . 26307 1 171 . 1 . 1 25 25 GLY H H 1 9.230 0.070 . 1 . . . . . 25 GLY H . 26307 1 172 . 1 . 1 25 25 GLY HA2 H 1 3.770 0.070 . 2 . . . . . 25 GLY HA2 . 26307 1 173 . 1 . 1 25 25 GLY HA3 H 1 4.340 0.070 . 2 . . . . . 25 GLY HA3 . 26307 1 174 . 1 . 1 25 25 GLY C C 13 171.400 0.200 . 1 . . . . . 25 GLY C . 26307 1 175 . 1 . 1 25 25 GLY CA C 13 47.800 0.200 . 1 . . . . . 25 GLY CA . 26307 1 176 . 1 . 1 25 25 GLY N N 15 116.300 0.200 . 1 . . . . . 25 GLY N . 26307 1 177 . 1 . 1 26 26 SER H H 1 8.450 0.070 . 1 . . . . . 26 SER H . 26307 1 178 . 1 . 1 26 26 SER HA H 1 5.330 0.070 . 1 . . . . . 26 SER HA . 26307 1 179 . 1 . 1 26 26 SER HB2 H 1 3.520 0.070 . 1 . . . . . 26 SER HB2 . 26307 1 180 . 1 . 1 26 26 SER HB3 H 1 3.520 0.070 . 1 . . . . . 26 SER HB3 . 26307 1 181 . 1 . 1 26 26 SER C C 13 173.600 0.200 . 1 . . . . . 26 SER C . 26307 1 182 . 1 . 1 26 26 SER CA C 13 55.800 0.200 . 1 . . . . . 26 SER CA . 26307 1 183 . 1 . 1 26 26 SER CB C 13 65.400 0.200 . 1 . . . . . 26 SER CB . 26307 1 184 . 1 . 1 26 26 SER N N 15 117.100 0.200 . 1 . . . . . 26 SER N . 26307 1 185 . 1 . 1 27 27 ASN H H 1 8.750 0.070 . 1 . . . . . 27 ASN H . 26307 1 186 . 1 . 1 27 27 ASN HA H 1 5.640 0.070 . 1 . . . . . 27 ASN HA . 26307 1 187 . 1 . 1 27 27 ASN HB2 H 1 3.230 0.070 . 2 . . . . . 27 ASN HB2 . 26307 1 188 . 1 . 1 27 27 ASN HB3 H 1 2.440 0.070 . 2 . . . . . 27 ASN HB3 . 26307 1 189 . 1 . 1 27 27 ASN C C 13 173.200 0.200 . 1 . . . . . 27 ASN C . 26307 1 190 . 1 . 1 27 27 ASN CA C 13 52.600 0.200 . 1 . . . . . 27 ASN CA . 26307 1 191 . 1 . 1 27 27 ASN CB C 13 41.500 0.200 . 1 . . . . . 27 ASN CB . 26307 1 192 . 1 . 1 27 27 ASN CG C 13 175.300 0.200 . 1 . . . . . 27 ASN CG . 26307 1 193 . 1 . 1 27 27 ASN N N 15 121.600 0.200 . 1 . . . . . 27 ASN N . 26307 1 194 . 1 . 1 28 28 LYS H H 1 9.460 0.070 . 1 . . . . . 28 LYS H . 26307 1 195 . 1 . 1 28 28 LYS HA H 1 4.300 0.070 . 1 . . . . . 28 LYS HA . 26307 1 196 . 1 . 1 28 28 LYS HB2 H 1 2.120 0.070 . 2 . . . . . 28 LYS HB2 . 26307 1 197 . 1 . 1 28 28 LYS HB3 H 1 1.440 0.070 . 2 . . . . . 28 LYS HB3 . 26307 1 198 . 1 . 1 28 28 LYS HD2 H 1 1.410 0.070 . 1 . . . . . 28 LYS HD2 . 26307 1 199 . 1 . 1 28 28 LYS HD3 H 1 1.410 0.070 . 1 . . . . . 28 LYS HD3 . 26307 1 200 . 1 . 1 28 28 LYS HE2 H 1 2.890 0.070 . 1 . . . . . 28 LYS HE2 . 26307 1 201 . 1 . 1 28 28 LYS HE3 H 1 2.890 0.070 . 1 . . . . . 28 LYS HE3 . 26307 1 202 . 1 . 1 28 28 LYS HG2 H 1 1.360 0.070 . 1 . . . . . 28 LYS HG2 . 26307 1 203 . 1 . 1 28 28 LYS HG3 H 1 1.360 0.070 . 1 . . . . . 28 LYS HG3 . 26307 1 204 . 1 . 1 28 28 LYS C C 13 174.500 0.200 . 1 . . . . . 28 LYS C . 26307 1 205 . 1 . 1 28 28 LYS CA C 13 55.800 0.200 . 1 . . . . . 28 LYS CA . 26307 1 206 . 1 . 1 28 28 LYS CB C 13 34.700 0.200 . 1 . . . . . 28 LYS CB . 26307 1 207 . 1 . 1 28 28 LYS CD C 13 30.000 0.200 . 1 . . . . . 28 LYS CD . 26307 1 208 . 1 . 1 28 28 LYS CE C 13 42.000 0.200 . 1 . . . . . 28 LYS CE . 26307 1 209 . 1 . 1 28 28 LYS CG C 13 26.000 0.200 . 1 . . . . . 28 LYS CG . 26307 1 210 . 1 . 1 28 28 LYS N N 15 127.000 0.200 . 1 . . . . . 28 LYS N . 26307 1 211 . 1 . 1 29 29 GLY H H 1 6.900 0.070 . 1 . . . . . 29 GLY H . 26307 1 212 . 1 . 1 29 29 GLY HA2 H 1 3.800 0.070 . 2 . . . . . 29 GLY HA2 . 26307 1 213 . 1 . 1 29 29 GLY HA3 H 1 4.630 0.070 . 2 . . . . . 29 GLY HA3 . 26307 1 214 . 1 . 1 29 29 GLY C C 13 172.600 0.200 . 1 . . . . . 29 GLY C . 26307 1 215 . 1 . 1 29 29 GLY CA C 13 43.900 0.200 . 1 . . . . . 29 GLY CA . 26307 1 216 . 1 . 1 29 29 GLY N N 15 109.400 0.200 . 1 . . . . . 29 GLY N . 26307 1 217 . 1 . 1 30 30 ALA H H 1 8.760 0.070 . 1 . . . . . 30 ALA H . 26307 1 218 . 1 . 1 30 30 ALA HA H 1 5.500 0.070 . 1 . . . . . 30 ALA HA . 26307 1 219 . 1 . 1 30 30 ALA HB1 H 1 0.940 0.070 . 1 . . . . . 30 ALA HB . 26307 1 220 . 1 . 1 30 30 ALA HB2 H 1 0.940 0.070 . 1 . . . . . 30 ALA HB . 26307 1 221 . 1 . 1 30 30 ALA HB3 H 1 0.940 0.070 . 1 . . . . . 30 ALA HB . 26307 1 222 . 1 . 1 30 30 ALA C C 13 175.700 0.200 . 1 . . . . . 30 ALA C . 26307 1 223 . 1 . 1 30 30 ALA CA C 13 49.800 0.200 . 1 . . . . . 30 ALA CA . 26307 1 224 . 1 . 1 30 30 ALA CB C 13 21.800 0.200 . 1 . . . . . 30 ALA CB . 26307 1 225 . 1 . 1 30 30 ALA N N 15 128.500 0.200 . 1 . . . . . 30 ALA N . 26307 1 226 . 1 . 1 31 31 ILE H H 1 8.770 0.070 . 1 . . . . . 31 ILE H . 26307 1 227 . 1 . 1 31 31 ILE HA H 1 4.960 0.070 . 1 . . . . . 31 ILE HA . 26307 1 228 . 1 . 1 31 31 ILE HB H 1 1.680 0.070 . 1 . . . . . 31 ILE HB . 26307 1 229 . 1 . 1 31 31 ILE HD11 H 1 0.670 0.070 . 1 . . . . . 31 ILE HD1 . 26307 1 230 . 1 . 1 31 31 ILE HD12 H 1 0.670 0.070 . 1 . . . . . 31 ILE HD1 . 26307 1 231 . 1 . 1 31 31 ILE HD13 H 1 0.670 0.070 . 1 . . . . . 31 ILE HD1 . 26307 1 232 . 1 . 1 31 31 ILE HG12 H 1 1.600 0.070 . 1 . . . . . 31 ILE HG12 . 26307 1 233 . 1 . 1 31 31 ILE HG13 H 1 1.600 0.070 . 1 . . . . . 31 ILE HG13 . 26307 1 234 . 1 . 1 31 31 ILE HG21 H 1 0.790 0.070 . 1 . . . . . 31 ILE HG2 . 26307 1 235 . 1 . 1 31 31 ILE HG22 H 1 0.790 0.070 . 1 . . . . . 31 ILE HG2 . 26307 1 236 . 1 . 1 31 31 ILE HG23 H 1 0.790 0.070 . 1 . . . . . 31 ILE HG2 . 26307 1 237 . 1 . 1 31 31 ILE C C 13 174.000 0.200 . 1 . . . . . 31 ILE C . 26307 1 238 . 1 . 1 31 31 ILE CA C 13 61.000 0.200 . 1 . . . . . 31 ILE CA . 26307 1 239 . 1 . 1 31 31 ILE CB C 13 41.400 0.200 . 1 . . . . . 31 ILE CB . 26307 1 240 . 1 . 1 31 31 ILE CD1 C 13 14.300 0.200 . 1 . . . . . 31 ILE CD1 . 26307 1 241 . 1 . 1 31 31 ILE CG1 C 13 28.300 0.200 . 1 . . . . . 31 ILE CG1 . 26307 1 242 . 1 . 1 31 31 ILE CG2 C 13 17.900 0.200 . 1 . . . . . 31 ILE CG2 . 26307 1 243 . 1 . 1 31 31 ILE N N 15 123.900 0.200 . 1 . . . . . 31 ILE N . 26307 1 244 . 1 . 1 32 32 ILE H H 1 9.270 0.070 . 1 . . . . . 32 ILE H . 26307 1 245 . 1 . 1 32 32 ILE HA H 1 5.480 0.070 . 1 . . . . . 32 ILE HA . 26307 1 246 . 1 . 1 32 32 ILE HB H 1 1.610 0.070 . 1 . . . . . 32 ILE HB . 26307 1 247 . 1 . 1 32 32 ILE HD11 H 1 0.570 0.070 . 1 . . . . . 32 ILE HD1 . 26307 1 248 . 1 . 1 32 32 ILE HD12 H 1 0.570 0.070 . 1 . . . . . 32 ILE HD1 . 26307 1 249 . 1 . 1 32 32 ILE HD13 H 1 0.570 0.070 . 1 . . . . . 32 ILE HD1 . 26307 1 250 . 1 . 1 32 32 ILE HG12 H 1 1.380 0.070 . 1 . . . . . 32 ILE HG12 . 26307 1 251 . 1 . 1 32 32 ILE HG13 H 1 1.380 0.070 . 1 . . . . . 32 ILE HG13 . 26307 1 252 . 1 . 1 32 32 ILE C C 13 177.400 0.200 . 1 . . . . . 32 ILE C . 26307 1 253 . 1 . 1 32 32 ILE CA C 13 57.700 0.200 . 1 . . . . . 32 ILE CA . 26307 1 254 . 1 . 1 32 32 ILE CB C 13 40.700 0.200 . 1 . . . . . 32 ILE CB . 26307 1 255 . 1 . 1 32 32 ILE CD1 C 13 13.900 0.200 . 1 . . . . . 32 ILE CD1 . 26307 1 256 . 1 . 1 32 32 ILE CG1 C 13 28.300 0.200 . 1 . . . . . 32 ILE CG1 . 26307 1 257 . 1 . 1 32 32 ILE CG2 C 13 18.600 0.200 . 1 . . . . . 32 ILE CG2 . 26307 1 258 . 1 . 1 32 32 ILE N N 15 127.200 0.200 . 1 . . . . . 32 ILE N . 26307 1 259 . 1 . 1 33 33 GLY H H 1 8.690 0.070 . 1 . . . . . 33 GLY H . 26307 1 260 . 1 . 1 33 33 GLY HA2 H 1 3.930 0.070 . 1 . . . . . 33 GLY HA2 . 26307 1 261 . 1 . 1 33 33 GLY HA3 H 1 3.930 0.070 . 1 . . . . . 33 GLY HA3 . 26307 1 262 . 1 . 1 33 33 GLY C C 13 171.600 0.200 . 1 . . . . . 33 GLY C . 26307 1 263 . 1 . 1 33 33 GLY CA C 13 48.600 0.200 . 1 . . . . . 33 GLY CA . 26307 1 264 . 1 . 1 33 33 GLY N N 15 119.800 0.200 . 1 . . . . . 33 GLY N . 26307 1 265 . 1 . 1 34 34 LEU H H 1 8.230 0.070 . 1 . . . . . 34 LEU H . 26307 1 266 . 1 . 1 34 34 LEU HA H 1 5.330 0.070 . 1 . . . . . 34 LEU HA . 26307 1 267 . 1 . 1 34 34 LEU HB2 H 1 1.540 0.070 . 2 . . . . . 34 LEU HB2 . 26307 1 268 . 1 . 1 34 34 LEU HB3 H 1 1.360 0.070 . 2 . . . . . 34 LEU HB3 . 26307 1 269 . 1 . 1 34 34 LEU HD11 H 1 0.810 0.070 . 2 . . . . . 34 LEU HD1 . 26307 1 270 . 1 . 1 34 34 LEU HD12 H 1 0.810 0.070 . 2 . . . . . 34 LEU HD1 . 26307 1 271 . 1 . 1 34 34 LEU HD13 H 1 0.810 0.070 . 2 . . . . . 34 LEU HD1 . 26307 1 272 . 1 . 1 34 34 LEU HD21 H 1 0.640 0.070 . 2 . . . . . 34 LEU HD2 . 26307 1 273 . 1 . 1 34 34 LEU HD22 H 1 0.640 0.070 . 2 . . . . . 34 LEU HD2 . 26307 1 274 . 1 . 1 34 34 LEU HD23 H 1 0.640 0.070 . 2 . . . . . 34 LEU HD2 . 26307 1 275 . 1 . 1 34 34 LEU HG H 1 1.540 0.070 . 1 . . . . . 34 LEU HG . 26307 1 276 . 1 . 1 34 34 LEU C C 13 174.500 0.200 . 1 . . . . . 34 LEU C . 26307 1 277 . 1 . 1 34 34 LEU CA C 13 54.100 0.200 . 1 . . . . . 34 LEU CA . 26307 1 278 . 1 . 1 34 34 LEU CB C 13 46.900 0.200 . 1 . . . . . 34 LEU CB . 26307 1 279 . 1 . 1 34 34 LEU CD1 C 13 23.800 0.200 . 2 . . . . . 34 LEU CD1 . 26307 1 280 . 1 . 1 34 34 LEU CD2 C 13 23.400 0.200 . 2 . . . . . 34 LEU CD2 . 26307 1 281 . 1 . 1 34 34 LEU CG C 13 28.400 0.200 . 1 . . . . . 34 LEU CG . 26307 1 282 . 1 . 1 34 34 LEU N N 15 126.400 0.200 . 1 . . . . . 34 LEU N . 26307 1 283 . 1 . 1 35 35 MET H H 1 9.350 0.070 . 1 . . . . . 35 MET H . 26307 1 284 . 1 . 1 35 35 MET HA H 1 5.680 0.070 . 1 . . . . . 35 MET HA . 26307 1 285 . 1 . 1 35 35 MET HB2 H 1 1.760 0.070 . 1 . . . . . 35 MET HB2 . 26307 1 286 . 1 . 1 35 35 MET HB3 H 1 1.760 0.070 . 1 . . . . . 35 MET HB3 . 26307 1 287 . 1 . 1 35 35 MET HG2 H 1 2.070 0.070 . 1 . . . . . 35 MET HG2 . 26307 1 288 . 1 . 1 35 35 MET HG3 H 1 2.070 0.070 . 1 . . . . . 35 MET HG3 . 26307 1 289 . 1 . 1 35 35 MET C C 13 173.600 0.200 . 1 . . . . . 35 MET C . 26307 1 290 . 1 . 1 35 35 MET CA C 13 53.500 0.200 . 1 . . . . . 35 MET CA . 26307 1 291 . 1 . 1 35 35 MET CB C 13 38.100 0.200 . 1 . . . . . 35 MET CB . 26307 1 292 . 1 . 1 35 35 MET CG C 13 31.700 0.200 . 1 . . . . . 35 MET CG . 26307 1 293 . 1 . 1 35 35 MET N N 15 124.800 0.200 . 1 . . . . . 35 MET N . 26307 1 294 . 1 . 1 36 36 VAL H H 1 8.590 0.070 . 1 . . . . . 36 VAL H . 26307 1 295 . 1 . 1 36 36 VAL HA H 1 5.180 0.070 . 1 . . . . . 36 VAL HA . 26307 1 296 . 1 . 1 36 36 VAL C C 13 176.200 0.200 . 1 . . . . . 36 VAL C . 26307 1 297 . 1 . 1 36 36 VAL CA C 13 60.200 0.200 . 1 . . . . . 36 VAL CA . 26307 1 298 . 1 . 1 36 36 VAL CB C 13 34.900 0.200 . 1 . . . . . 36 VAL CB . 26307 1 299 . 1 . 1 36 36 VAL CG1 C 13 21.500 0.200 . 2 . . . . . 36 VAL CG1 . 26307 1 300 . 1 . 1 36 36 VAL CG2 C 13 20.200 0.200 . 2 . . . . . 36 VAL CG2 . 26307 1 301 . 1 . 1 36 36 VAL N N 15 126.900 0.200 . 1 . . . . . 36 VAL N . 26307 1 302 . 1 . 1 37 37 GLY H H 1 8.960 0.070 . 1 . . . . . 37 GLY H . 26307 1 303 . 1 . 1 37 37 GLY HA2 H 1 3.820 0.070 . 2 . . . . . 37 GLY HA2 . 26307 1 304 . 1 . 1 37 37 GLY HA3 H 1 4.270 0.070 . 2 . . . . . 37 GLY HA3 . 26307 1 305 . 1 . 1 37 37 GLY C C 13 172.200 0.200 . 1 . . . . . 37 GLY C . 26307 1 306 . 1 . 1 37 37 GLY CA C 13 48.200 0.200 . 1 . . . . . 37 GLY CA . 26307 1 307 . 1 . 1 37 37 GLY N N 15 116.200 0.200 . 1 . . . . . 37 GLY N . 26307 1 308 . 1 . 1 38 38 GLY H H 1 7.810 0.070 . 1 . . . . . 38 GLY H . 26307 1 309 . 1 . 1 38 38 GLY HA2 H 1 3.800 0.070 . 1 . . . . . 38 GLY HA2 . 26307 1 310 . 1 . 1 38 38 GLY HA3 H 1 3.800 0.070 . 1 . . . . . 38 GLY HA3 . 26307 1 311 . 1 . 1 38 38 GLY C C 13 171.500 0.200 . 1 . . . . . 38 GLY C . 26307 1 312 . 1 . 1 38 38 GLY CA C 13 46.500 0.200 . 1 . . . . . 38 GLY CA . 26307 1 313 . 1 . 1 38 38 GLY N N 15 105.600 0.200 . 1 . . . . . 38 GLY N . 26307 1 314 . 1 . 1 39 39 VAL H H 1 8.050 0.070 . 1 . . . . . 39 VAL H . 26307 1 315 . 1 . 1 39 39 VAL HA H 1 5.130 0.070 . 1 . . . . . 39 VAL HA . 26307 1 316 . 1 . 1 39 39 VAL C C 13 173.800 0.200 . 1 . . . . . 39 VAL C . 26307 1 317 . 1 . 1 39 39 VAL CA C 13 60.500 0.200 . 1 . . . . . 39 VAL CA . 26307 1 318 . 1 . 1 39 39 VAL CB C 13 34.800 0.200 . 1 . . . . . 39 VAL CB . 26307 1 319 . 1 . 1 39 39 VAL CG1 C 13 22.300 0.200 . 2 . . . . . 39 VAL CG1 . 26307 1 320 . 1 . 1 39 39 VAL CG2 C 13 20.800 0.200 . 2 . . . . . 39 VAL CG2 . 26307 1 321 . 1 . 1 39 39 VAL N N 15 119.500 0.200 . 1 . . . . . 39 VAL N . 26307 1 322 . 1 . 1 40 40 VAL H H 1 8.750 0.070 . 1 . . . . . 40 VAL H . 26307 1 323 . 1 . 1 40 40 VAL HA H 1 4.860 0.070 . 1 . . . . . 40 VAL HA . 26307 1 324 . 1 . 1 40 40 VAL C C 13 172.700 0.200 . 1 . . . . . 40 VAL C . 26307 1 325 . 1 . 1 40 40 VAL CA C 13 60.400 0.200 . 1 . . . . . 40 VAL CA . 26307 1 326 . 1 . 1 40 40 VAL CB C 13 35.000 0.200 . 1 . . . . . 40 VAL CB . 26307 1 327 . 1 . 1 40 40 VAL CG1 C 13 21.500 0.200 . 2 . . . . . 40 VAL CG1 . 26307 1 328 . 1 . 1 40 40 VAL CG2 C 13 21.000 0.200 . 2 . . . . . 40 VAL CG2 . 26307 1 329 . 1 . 1 40 40 VAL N N 15 127.500 0.200 . 1 . . . . . 40 VAL N . 26307 1 330 . 1 . 1 41 41 ILE H H 1 9.020 0.070 . 1 . . . . . 41 ILE H . 26307 1 331 . 1 . 1 41 41 ILE HA H 1 4.840 0.070 . 1 . . . . . 41 ILE HA . 26307 1 332 . 1 . 1 41 41 ILE HB H 1 1.700 0.070 . 1 . . . . . 41 ILE HB . 26307 1 333 . 1 . 1 41 41 ILE HD11 H 1 0.690 0.070 . 1 . . . . . 41 ILE HD1 . 26307 1 334 . 1 . 1 41 41 ILE HD12 H 1 0.690 0.070 . 1 . . . . . 41 ILE HD1 . 26307 1 335 . 1 . 1 41 41 ILE HD13 H 1 0.690 0.070 . 1 . . . . . 41 ILE HD1 . 26307 1 336 . 1 . 1 41 41 ILE HG12 H 1 1.500 0.070 . 2 . . . . . 41 ILE HG12 . 26307 1 337 . 1 . 1 41 41 ILE HG13 H 1 1.400 0.070 . 2 . . . . . 41 ILE HG13 . 26307 1 338 . 1 . 1 41 41 ILE HG21 H 1 0.570 0.070 . 1 . . . . . 41 ILE HG2 . 26307 1 339 . 1 . 1 41 41 ILE HG22 H 1 0.570 0.070 . 1 . . . . . 41 ILE HG2 . 26307 1 340 . 1 . 1 41 41 ILE HG23 H 1 0.570 0.070 . 1 . . . . . 41 ILE HG2 . 26307 1 341 . 1 . 1 41 41 ILE C C 13 173.100 0.200 . 1 . . . . . 41 ILE C . 26307 1 342 . 1 . 1 41 41 ILE CA C 13 60.200 0.200 . 1 . . . . . 41 ILE CA . 26307 1 343 . 1 . 1 41 41 ILE CB C 13 40.100 0.200 . 1 . . . . . 41 ILE CB . 26307 1 344 . 1 . 1 41 41 ILE CD1 C 13 13.800 0.200 . 1 . . . . . 41 ILE CD1 . 26307 1 345 . 1 . 1 41 41 ILE CG1 C 13 27.700 0.200 . 1 . . . . . 41 ILE CG1 . 26307 1 346 . 1 . 1 41 41 ILE CG2 C 13 18.400 0.200 . 1 . . . . . 41 ILE CG2 . 26307 1 347 . 1 . 1 41 41 ILE N N 15 129.800 0.200 . 1 . . . . . 41 ILE N . 26307 1 348 . 1 . 1 42 42 ALA H H 1 8.890 0.070 . 1 . . . . . 42 ALA H . 26307 1 349 . 1 . 1 42 42 ALA HA H 1 4.470 0.070 . 1 . . . . . 42 ALA HA . 26307 1 350 . 1 . 1 42 42 ALA HB1 H 1 1.110 0.070 . 1 . . . . . 42 ALA HB . 26307 1 351 . 1 . 1 42 42 ALA HB2 H 1 1.110 0.070 . 1 . . . . . 42 ALA HB . 26307 1 352 . 1 . 1 42 42 ALA HB3 H 1 1.110 0.070 . 1 . . . . . 42 ALA HB . 26307 1 353 . 1 . 1 42 42 ALA C C 13 181.400 0.200 . 1 . . . . . 42 ALA C . 26307 1 354 . 1 . 1 42 42 ALA CA C 13 51.900 0.200 . 1 . . . . . 42 ALA CA . 26307 1 355 . 1 . 1 42 42 ALA CB C 13 21.600 0.200 . 1 . . . . . 42 ALA CB . 26307 1 356 . 1 . 1 42 42 ALA N N 15 134.900 0.200 . 1 . . . . . 42 ALA N . 26307 1 stop_ save_