################################### # 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_chemical_shift_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_1 _Assigned_chem_shift_list.Entry_ID 11368 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $condition_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $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 13C-separated NOESY' 1 $sample_1 isotropic 11368 1 2 '3D 15N-separated NOESY' 1 $sample_1 isotropic 11368 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 1 $XWINNMR . . 11368 1 2 $NMRPipe . . 11368 1 3 $NMRVIEW . . 11368 1 4 $Kujira . . 11368 1 5 $CYANA . . 11368 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 8 8 SER HA H 1 4.454 0.030 . 1 . . . . 8 SER HA . 11368 1 2 . 1 1 8 8 SER C C 13 174.819 0.300 . 1 . . . . 8 SER C . 11368 1 3 . 1 1 8 8 SER CA C 13 58.469 0.300 . 1 . . . . 8 SER CA . 11368 1 4 . 1 1 8 8 SER CB C 13 63.946 0.300 . 1 . . . . 8 SER CB . 11368 1 5 . 1 1 9 9 ARG H H 1 8.450 0.030 . 1 . . . . 9 ARG H . 11368 1 6 . 1 1 9 9 ARG HA H 1 4.392 0.030 . 1 . . . . 9 ARG HA . 11368 1 7 . 1 1 9 9 ARG HB2 H 1 1.912 0.030 . 2 . . . . 9 ARG HB2 . 11368 1 8 . 1 1 9 9 ARG HB3 H 1 1.790 0.030 . 2 . . . . 9 ARG HB3 . 11368 1 9 . 1 1 9 9 ARG HD2 H 1 3.188 0.030 . 1 . . . . 9 ARG HD2 . 11368 1 10 . 1 1 9 9 ARG HD3 H 1 3.188 0.030 . 1 . . . . 9 ARG HD3 . 11368 1 11 . 1 1 9 9 ARG HG2 H 1 1.674 0.030 . 2 . . . . 9 ARG HG2 . 11368 1 12 . 1 1 9 9 ARG HG3 H 1 1.620 0.030 . 2 . . . . 9 ARG HG3 . 11368 1 13 . 1 1 9 9 ARG C C 13 176.414 0.300 . 1 . . . . 9 ARG C . 11368 1 14 . 1 1 9 9 ARG CA C 13 56.299 0.300 . 1 . . . . 9 ARG CA . 11368 1 15 . 1 1 9 9 ARG CB C 13 30.678 0.300 . 1 . . . . 9 ARG CB . 11368 1 16 . 1 1 9 9 ARG CD C 13 43.340 0.300 . 1 . . . . 9 ARG CD . 11368 1 17 . 1 1 9 9 ARG CG C 13 27.119 0.300 . 1 . . . . 9 ARG CG . 11368 1 18 . 1 1 9 9 ARG N N 15 123.030 0.300 . 1 . . . . 9 ARG N . 11368 1 19 . 1 1 10 10 GLU H H 1 8.399 0.030 . 1 . . . . 10 GLU H . 11368 1 20 . 1 1 10 10 GLU HA H 1 4.383 0.030 . 1 . . . . 10 GLU HA . 11368 1 21 . 1 1 10 10 GLU HB2 H 1 2.115 0.030 . 2 . . . . 10 GLU HB2 . 11368 1 22 . 1 1 10 10 GLU HB3 H 1 1.966 0.030 . 2 . . . . 10 GLU HB3 . 11368 1 23 . 1 1 10 10 GLU HG2 H 1 2.321 0.030 . 1 . . . . 10 GLU HG2 . 11368 1 24 . 1 1 10 10 GLU HG3 H 1 2.321 0.030 . 1 . . . . 10 GLU HG3 . 11368 1 25 . 1 1 10 10 GLU C C 13 176.313 0.300 . 1 . . . . 10 GLU C . 11368 1 26 . 1 1 10 10 GLU CA C 13 56.529 0.300 . 1 . . . . 10 GLU CA . 11368 1 27 . 1 1 10 10 GLU CB C 13 30.408 0.300 . 1 . . . . 10 GLU CB . 11368 1 28 . 1 1 10 10 GLU CG C 13 36.365 0.300 . 1 . . . . 10 GLU CG . 11368 1 29 . 1 1 10 10 GLU N N 15 121.517 0.300 . 1 . . . . 10 GLU N . 11368 1 30 . 1 1 11 11 LYS H H 1 8.363 0.030 . 1 . . . . 11 LYS H . 11368 1 31 . 1 1 11 11 LYS HA H 1 4.347 0.030 . 1 . . . . 11 LYS HA . 11368 1 32 . 1 1 11 11 LYS HB2 H 1 1.805 0.030 . 2 . . . . 11 LYS HB2 . 11368 1 33 . 1 1 11 11 LYS HB3 H 1 1.756 0.030 . 2 . . . . 11 LYS HB3 . 11368 1 34 . 1 1 11 11 LYS HD2 H 1 1.679 0.030 . 1 . . . . 11 LYS HD2 . 11368 1 35 . 1 1 11 11 LYS HD3 H 1 1.679 0.030 . 1 . . . . 11 LYS HD3 . 11368 1 36 . 1 1 11 11 LYS HE2 H 1 2.987 0.030 . 1 . . . . 11 LYS HE2 . 11368 1 37 . 1 1 11 11 LYS HE3 H 1 2.987 0.030 . 1 . . . . 11 LYS HE3 . 11368 1 38 . 1 1 11 11 LYS HG2 H 1 1.363 0.030 . 2 . . . . 11 LYS HG2 . 11368 1 39 . 1 1 11 11 LYS HG3 H 1 1.324 0.030 . 2 . . . . 11 LYS HG3 . 11368 1 40 . 1 1 11 11 LYS C C 13 175.341 0.300 . 1 . . . . 11 LYS C . 11368 1 41 . 1 1 11 11 LYS CA C 13 56.172 0.300 . 1 . . . . 11 LYS CA . 11368 1 42 . 1 1 11 11 LYS CB C 13 33.127 0.300 . 1 . . . . 11 LYS CB . 11368 1 43 . 1 1 11 11 LYS CD C 13 29.103 0.300 . 1 . . . . 11 LYS CD . 11368 1 44 . 1 1 11 11 LYS CE C 13 42.235 0.300 . 1 . . . . 11 LYS CE . 11368 1 45 . 1 1 11 11 LYS CG C 13 24.753 0.300 . 1 . . . . 11 LYS CG . 11368 1 46 . 1 1 11 11 LYS N N 15 122.057 0.300 . 1 . . . . 11 LYS N . 11368 1 47 . 1 1 12 12 SER H H 1 7.868 0.030 . 1 . . . . 12 SER H . 11368 1 48 . 1 1 12 12 SER HA H 1 4.474 0.030 . 1 . . . . 12 SER HA . 11368 1 49 . 1 1 12 12 SER HB2 H 1 3.631 0.030 . 2 . . . . 12 SER HB2 . 11368 1 50 . 1 1 12 12 SER HB3 H 1 3.574 0.030 . 2 . . . . 12 SER HB3 . 11368 1 51 . 1 1 12 12 SER C C 13 172.841 0.300 . 1 . . . . 12 SER C . 11368 1 52 . 1 1 12 12 SER CA C 13 57.603 0.300 . 1 . . . . 12 SER CA . 11368 1 53 . 1 1 12 12 SER CB C 13 64.757 0.300 . 1 . . . . 12 SER CB . 11368 1 54 . 1 1 12 12 SER N N 15 115.085 0.300 . 1 . . . . 12 SER N . 11368 1 55 . 1 1 13 13 HIS H H 1 8.552 0.030 . 1 . . . . 13 HIS H . 11368 1 56 . 1 1 13 13 HIS HA H 1 4.770 0.030 . 1 . . . . 13 HIS HA . 11368 1 57 . 1 1 13 13 HIS HB2 H 1 3.104 0.030 . 2 . . . . 13 HIS HB2 . 11368 1 58 . 1 1 13 13 HIS HB3 H 1 2.955 0.030 . 2 . . . . 13 HIS HB3 . 11368 1 59 . 1 1 13 13 HIS HD2 H 1 6.673 0.030 . 1 . . . . 13 HIS HD2 . 11368 1 60 . 1 1 13 13 HIS HE1 H 1 7.776 0.030 . 1 . . . . 13 HIS HE1 . 11368 1 61 . 1 1 13 13 HIS C C 13 173.781 0.300 . 1 . . . . 13 HIS C . 11368 1 62 . 1 1 13 13 HIS CA C 13 55.407 0.300 . 1 . . . . 13 HIS CA . 11368 1 63 . 1 1 13 13 HIS CB C 13 32.683 0.300 . 1 . . . . 13 HIS CB . 11368 1 64 . 1 1 13 13 HIS CD2 C 13 119.984 0.300 . 1 . . . . 13 HIS CD2 . 11368 1 65 . 1 1 13 13 HIS CE1 C 13 138.750 0.300 . 1 . . . . 13 HIS CE1 . 11368 1 66 . 1 1 13 13 HIS N N 15 120.891 0.300 . 1 . . . . 13 HIS N . 11368 1 67 . 1 1 14 14 GLN H H 1 8.796 0.030 . 1 . . . . 14 GLN H . 11368 1 68 . 1 1 14 14 GLN HA H 1 5.100 0.030 . 1 . . . . 14 GLN HA . 11368 1 69 . 1 1 14 14 GLN HB2 H 1 2.003 0.030 . 2 . . . . 14 GLN HB2 . 11368 1 70 . 1 1 14 14 GLN HB3 H 1 1.704 0.030 . 2 . . . . 14 GLN HB3 . 11368 1 71 . 1 1 14 14 GLN HE21 H 1 7.625 0.030 . 2 . . . . 14 GLN HE21 . 11368 1 72 . 1 1 14 14 GLN HE22 H 1 6.859 0.030 . 2 . . . . 14 GLN HE22 . 11368 1 73 . 1 1 14 14 GLN HG2 H 1 2.017 0.030 . 1 . . . . 14 GLN HG2 . 11368 1 74 . 1 1 14 14 GLN HG3 H 1 2.017 0.030 . 1 . . . . 14 GLN HG3 . 11368 1 75 . 1 1 14 14 GLN C C 13 174.926 0.300 . 1 . . . . 14 GLN C . 11368 1 76 . 1 1 14 14 GLN CA C 13 54.294 0.300 . 1 . . . . 14 GLN CA . 11368 1 77 . 1 1 14 14 GLN CB C 13 31.465 0.300 . 1 . . . . 14 GLN CB . 11368 1 78 . 1 1 14 14 GLN CG C 13 33.388 0.300 . 1 . . . . 14 GLN CG . 11368 1 79 . 1 1 14 14 GLN N N 15 124.309 0.300 . 1 . . . . 14 GLN N . 11368 1 80 . 1 1 14 14 GLN NE2 N 15 112.345 0.300 . 1 . . . . 14 GLN NE2 . 11368 1 81 . 1 1 15 15 CYS H H 1 9.317 0.030 . 1 . . . . 15 CYS H . 11368 1 82 . 1 1 15 15 CYS HA H 1 4.547 0.030 . 1 . . . . 15 CYS HA . 11368 1 83 . 1 1 15 15 CYS HB2 H 1 3.397 0.030 . 2 . . . . 15 CYS HB2 . 11368 1 84 . 1 1 15 15 CYS HB3 H 1 2.875 0.030 . 2 . . . . 15 CYS HB3 . 11368 1 85 . 1 1 15 15 CYS C C 13 177.529 0.300 . 1 . . . . 15 CYS C . 11368 1 86 . 1 1 15 15 CYS CA C 13 59.722 0.300 . 1 . . . . 15 CYS CA . 11368 1 87 . 1 1 15 15 CYS CB C 13 29.537 0.300 . 1 . . . . 15 CYS CB . 11368 1 88 . 1 1 15 15 CYS N N 15 110.612 0.300 . 1 . . . . 15 CYS N . 11368 1 89 . 1 1 16 16 ARG H H 1 9.349 0.030 . 1 . . . . 16 ARG H . 11368 1 90 . 1 1 16 16 ARG HA H 1 4.184 0.030 . 1 . . . . 16 ARG HA . 11368 1 91 . 1 1 16 16 ARG HB2 H 1 1.984 0.030 . 1 . . . . 16 ARG HB2 . 11368 1 92 . 1 1 16 16 ARG HB3 H 1 1.984 0.030 . 1 . . . . 16 ARG HB3 . 11368 1 93 . 1 1 16 16 ARG HD2 H 1 3.283 0.030 . 1 . . . . 16 ARG HD2 . 11368 1 94 . 1 1 16 16 ARG HD3 H 1 3.283 0.030 . 1 . . . . 16 ARG HD3 . 11368 1 95 . 1 1 16 16 ARG HG2 H 1 1.786 0.030 . 1 . . . . 16 ARG HG2 . 11368 1 96 . 1 1 16 16 ARG HG3 H 1 1.786 0.030 . 1 . . . . 16 ARG HG3 . 11368 1 97 . 1 1 16 16 ARG C C 13 176.689 0.300 . 1 . . . . 16 ARG C . 11368 1 98 . 1 1 16 16 ARG CA C 13 58.291 0.300 . 1 . . . . 16 ARG CA . 11368 1 99 . 1 1 16 16 ARG CB C 13 30.047 0.300 . 1 . . . . 16 ARG CB . 11368 1 100 . 1 1 16 16 ARG CD C 13 43.285 0.300 . 1 . . . . 16 ARG CD . 11368 1 101 . 1 1 16 16 ARG CG C 13 27.321 0.300 . 1 . . . . 16 ARG CG . 11368 1 102 . 1 1 16 16 ARG N N 15 114.301 0.300 . 1 . . . . 16 ARG N . 11368 1 103 . 1 1 17 17 GLU H H 1 8.657 0.030 . 1 . . . . 17 GLU H . 11368 1 104 . 1 1 17 17 GLU HA H 1 4.227 0.030 . 1 . . . . 17 GLU HA . 11368 1 105 . 1 1 17 17 GLU HB2 H 1 1.403 0.030 . 2 . . . . 17 GLU HB2 . 11368 1 106 . 1 1 17 17 GLU HB3 H 1 1.364 0.030 . 2 . . . . 17 GLU HB3 . 11368 1 107 . 1 1 17 17 GLU HG2 H 1 1.928 0.030 . 2 . . . . 17 GLU HG2 . 11368 1 108 . 1 1 17 17 GLU HG3 H 1 1.847 0.030 . 2 . . . . 17 GLU HG3 . 11368 1 109 . 1 1 17 17 GLU C C 13 177.316 0.300 . 1 . . . . 17 GLU C . 11368 1 110 . 1 1 17 17 GLU CA C 13 58.285 0.300 . 1 . . . . 17 GLU CA . 11368 1 111 . 1 1 17 17 GLU CB C 13 29.512 0.300 . 1 . . . . 17 GLU CB . 11368 1 112 . 1 1 17 17 GLU CG C 13 35.731 0.300 . 1 . . . . 17 GLU CG . 11368 1 113 . 1 1 17 17 GLU N N 15 120.085 0.300 . 1 . . . . 17 GLU N . 11368 1 114 . 1 1 18 18 CYS H H 1 7.962 0.030 . 1 . . . . 18 CYS H . 11368 1 115 . 1 1 18 18 CYS HA H 1 5.199 0.030 . 1 . . . . 18 CYS HA . 11368 1 116 . 1 1 18 18 CYS HB2 H 1 3.501 0.030 . 2 . . . . 18 CYS HB2 . 11368 1 117 . 1 1 18 18 CYS HB3 H 1 2.875 0.030 . 2 . . . . 18 CYS HB3 . 11368 1 118 . 1 1 18 18 CYS C C 13 176.303 0.300 . 1 . . . . 18 CYS C . 11368 1 119 . 1 1 18 18 CYS CA C 13 58.382 0.300 . 1 . . . . 18 CYS CA . 11368 1 120 . 1 1 18 18 CYS CB C 13 32.648 0.300 . 1 . . . . 18 CYS CB . 11368 1 121 . 1 1 18 18 CYS N N 15 114.713 0.300 . 1 . . . . 18 CYS N . 11368 1 122 . 1 1 19 19 GLY H H 1 8.131 0.030 . 1 . . . . 19 GLY H . 11368 1 123 . 1 1 19 19 GLY HA2 H 1 4.319 0.030 . 2 . . . . 19 GLY HA2 . 11368 1 124 . 1 1 19 19 GLY HA3 H 1 3.825 0.030 . 2 . . . . 19 GLY HA3 . 11368 1 125 . 1 1 19 19 GLY C C 13 174.114 0.300 . 1 . . . . 19 GLY C . 11368 1 126 . 1 1 19 19 GLY CA C 13 46.081 0.300 . 1 . . . . 19 GLY CA . 11368 1 127 . 1 1 19 19 GLY N N 15 113.291 0.300 . 1 . . . . 19 GLY N . 11368 1 128 . 1 1 20 20 GLU H H 1 8.148 0.030 . 1 . . . . 20 GLU H . 11368 1 129 . 1 1 20 20 GLU HA H 1 3.961 0.030 . 1 . . . . 20 GLU HA . 11368 1 130 . 1 1 20 20 GLU HB2 H 1 1.776 0.030 . 2 . . . . 20 GLU HB2 . 11368 1 131 . 1 1 20 20 GLU HB3 H 1 1.390 0.030 . 2 . . . . 20 GLU HB3 . 11368 1 132 . 1 1 20 20 GLU HG2 H 1 2.072 0.030 . 2 . . . . 20 GLU HG2 . 11368 1 133 . 1 1 20 20 GLU HG3 H 1 1.844 0.030 . 2 . . . . 20 GLU HG3 . 11368 1 134 . 1 1 20 20 GLU C C 13 174.074 0.300 . 1 . . . . 20 GLU C . 11368 1 135 . 1 1 20 20 GLU CA C 13 58.379 0.300 . 1 . . . . 20 GLU CA . 11368 1 136 . 1 1 20 20 GLU CB C 13 30.232 0.300 . 1 . . . . 20 GLU CB . 11368 1 137 . 1 1 20 20 GLU CG C 13 36.987 0.300 . 1 . . . . 20 GLU CG . 11368 1 138 . 1 1 20 20 GLU N N 15 124.452 0.300 . 1 . . . . 20 GLU N . 11368 1 139 . 1 1 21 21 ILE H H 1 7.842 0.030 . 1 . . . . 21 ILE H . 11368 1 140 . 1 1 21 21 ILE HA H 1 4.454 0.030 . 1 . . . . 21 ILE HA . 11368 1 141 . 1 1 21 21 ILE HB H 1 1.423 0.030 . 1 . . . . 21 ILE HB . 11368 1 142 . 1 1 21 21 ILE HD11 H 1 0.762 0.030 . 1 . . . . 21 ILE HD1 . 11368 1 143 . 1 1 21 21 ILE HD12 H 1 0.762 0.030 . 1 . . . . 21 ILE HD1 . 11368 1 144 . 1 1 21 21 ILE HD13 H 1 0.762 0.030 . 1 . . . . 21 ILE HD1 . 11368 1 145 . 1 1 21 21 ILE HG12 H 1 1.570 0.030 . 2 . . . . 21 ILE HG12 . 11368 1 146 . 1 1 21 21 ILE HG13 H 1 0.811 0.030 . 2 . . . . 21 ILE HG13 . 11368 1 147 . 1 1 21 21 ILE HG21 H 1 0.564 0.030 . 1 . . . . 21 ILE HG2 . 11368 1 148 . 1 1 21 21 ILE HG22 H 1 0.564 0.030 . 1 . . . . 21 ILE HG2 . 11368 1 149 . 1 1 21 21 ILE HG23 H 1 0.564 0.030 . 1 . . . . 21 ILE HG2 . 11368 1 150 . 1 1 21 21 ILE C C 13 174.548 0.300 . 1 . . . . 21 ILE C . 11368 1 151 . 1 1 21 21 ILE CA C 13 60.328 0.300 . 1 . . . . 21 ILE CA . 11368 1 152 . 1 1 21 21 ILE CB C 13 39.918 0.300 . 1 . . . . 21 ILE CB . 11368 1 153 . 1 1 21 21 ILE CD1 C 13 13.134 0.300 . 1 . . . . 21 ILE CD1 . 11368 1 154 . 1 1 21 21 ILE CG1 C 13 27.833 0.300 . 1 . . . . 21 ILE CG1 . 11368 1 155 . 1 1 21 21 ILE CG2 C 13 18.054 0.300 . 1 . . . . 21 ILE CG2 . 11368 1 156 . 1 1 21 21 ILE N N 15 121.680 0.300 . 1 . . . . 21 ILE N . 11368 1 157 . 1 1 22 22 PHE H H 1 8.605 0.030 . 1 . . . . 22 PHE H . 11368 1 158 . 1 1 22 22 PHE HA H 1 4.545 0.030 . 1 . . . . 22 PHE HA . 11368 1 159 . 1 1 22 22 PHE HB2 H 1 3.241 0.030 . 2 . . . . 22 PHE HB2 . 11368 1 160 . 1 1 22 22 PHE HB3 H 1 2.624 0.030 . 2 . . . . 22 PHE HB3 . 11368 1 161 . 1 1 22 22 PHE HD1 H 1 7.128 0.030 . 1 . . . . 22 PHE HD1 . 11368 1 162 . 1 1 22 22 PHE HD2 H 1 7.128 0.030 . 1 . . . . 22 PHE HD2 . 11368 1 163 . 1 1 22 22 PHE HE1 H 1 6.768 0.030 . 1 . . . . 22 PHE HE1 . 11368 1 164 . 1 1 22 22 PHE HE2 H 1 6.768 0.030 . 1 . . . . 22 PHE HE2 . 11368 1 165 . 1 1 22 22 PHE HZ H 1 6.168 0.030 . 1 . . . . 22 PHE HZ . 11368 1 166 . 1 1 22 22 PHE C C 13 175.289 0.300 . 1 . . . . 22 PHE C . 11368 1 167 . 1 1 22 22 PHE CA C 13 56.669 0.300 . 1 . . . . 22 PHE CA . 11368 1 168 . 1 1 22 22 PHE CB C 13 43.154 0.300 . 1 . . . . 22 PHE CB . 11368 1 169 . 1 1 22 22 PHE CD1 C 13 132.070 0.300 . 1 . . . . 22 PHE CD1 . 11368 1 170 . 1 1 22 22 PHE CD2 C 13 132.070 0.300 . 1 . . . . 22 PHE CD2 . 11368 1 171 . 1 1 22 22 PHE CE1 C 13 130.584 0.300 . 1 . . . . 22 PHE CE1 . 11368 1 172 . 1 1 22 22 PHE CE2 C 13 130.584 0.300 . 1 . . . . 22 PHE CE2 . 11368 1 173 . 1 1 22 22 PHE CZ C 13 129.135 0.300 . 1 . . . . 22 PHE CZ . 11368 1 174 . 1 1 22 22 PHE N N 15 123.197 0.300 . 1 . . . . 22 PHE N . 11368 1 175 . 1 1 23 23 PHE H H 1 9.081 0.030 . 1 . . . . 23 PHE H . 11368 1 176 . 1 1 23 23 PHE HA H 1 4.922 0.030 . 1 . . . . 23 PHE HA . 11368 1 177 . 1 1 23 23 PHE HB2 H 1 3.496 0.030 . 2 . . . . 23 PHE HB2 . 11368 1 178 . 1 1 23 23 PHE HB3 H 1 3.032 0.030 . 2 . . . . 23 PHE HB3 . 11368 1 179 . 1 1 23 23 PHE HD1 H 1 7.353 0.030 . 1 . . . . 23 PHE HD1 . 11368 1 180 . 1 1 23 23 PHE HD2 H 1 7.353 0.030 . 1 . . . . 23 PHE HD2 . 11368 1 181 . 1 1 23 23 PHE HE1 H 1 7.287 0.030 . 1 . . . . 23 PHE HE1 . 11368 1 182 . 1 1 23 23 PHE HE2 H 1 7.287 0.030 . 1 . . . . 23 PHE HE2 . 11368 1 183 . 1 1 23 23 PHE C C 13 175.495 0.300 . 1 . . . . 23 PHE C . 11368 1 184 . 1 1 23 23 PHE CA C 13 58.987 0.300 . 1 . . . . 23 PHE CA . 11368 1 185 . 1 1 23 23 PHE CB C 13 39.405 0.300 . 1 . . . . 23 PHE CB . 11368 1 186 . 1 1 23 23 PHE CD1 C 13 131.537 0.300 . 1 . . . . 23 PHE CD1 . 11368 1 187 . 1 1 23 23 PHE CD2 C 13 131.537 0.300 . 1 . . . . 23 PHE CD2 . 11368 1 188 . 1 1 23 23 PHE CE1 C 13 129.898 0.300 . 1 . . . . 23 PHE CE1 . 11368 1 189 . 1 1 23 23 PHE CE2 C 13 129.898 0.300 . 1 . . . . 23 PHE CE2 . 11368 1 190 . 1 1 23 23 PHE N N 15 119.796 0.300 . 1 . . . . 23 PHE N . 11368 1 191 . 1 1 24 24 GLN H H 1 7.615 0.030 . 1 . . . . 24 GLN H . 11368 1 192 . 1 1 24 24 GLN HA H 1 4.849 0.030 . 1 . . . . 24 GLN HA . 11368 1 193 . 1 1 24 24 GLN HB2 H 1 2.311 0.030 . 2 . . . . 24 GLN HB2 . 11368 1 194 . 1 1 24 24 GLN HB3 H 1 2.165 0.030 . 2 . . . . 24 GLN HB3 . 11368 1 195 . 1 1 24 24 GLN HG2 H 1 2.517 0.030 . 1 . . . . 24 GLN HG2 . 11368 1 196 . 1 1 24 24 GLN HG3 H 1 2.517 0.030 . 1 . . . . 24 GLN HG3 . 11368 1 197 . 1 1 24 24 GLN C C 13 175.835 0.300 . 1 . . . . 24 GLN C . 11368 1 198 . 1 1 24 24 GLN CA C 13 54.439 0.300 . 1 . . . . 24 GLN CA . 11368 1 199 . 1 1 24 24 GLN CB C 13 31.504 0.300 . 1 . . . . 24 GLN CB . 11368 1 200 . 1 1 24 24 GLN CG C 13 33.865 0.300 . 1 . . . . 24 GLN CG . 11368 1 201 . 1 1 24 24 GLN N N 15 114.864 0.300 . 1 . . . . 24 GLN N . 11368 1 202 . 1 1 25 25 TYR HA H 1 3.468 0.030 . 1 . . . . 25 TYR HA . 11368 1 203 . 1 1 25 25 TYR HB2 H 1 2.789 0.030 . 2 . . . . 25 TYR HB2 . 11368 1 204 . 1 1 25 25 TYR HB3 H 1 2.697 0.030 . 2 . . . . 25 TYR HB3 . 11368 1 205 . 1 1 25 25 TYR HD1 H 1 6.817 0.030 . 1 . . . . 25 TYR HD1 . 11368 1 206 . 1 1 25 25 TYR HD2 H 1 6.817 0.030 . 1 . . . . 25 TYR HD2 . 11368 1 207 . 1 1 25 25 TYR HE1 H 1 6.785 0.030 . 1 . . . . 25 TYR HE1 . 11368 1 208 . 1 1 25 25 TYR HE2 H 1 6.785 0.030 . 1 . . . . 25 TYR HE2 . 11368 1 209 . 1 1 25 25 TYR C C 13 177.531 0.300 . 1 . . . . 25 TYR C . 11368 1 210 . 1 1 25 25 TYR CA C 13 61.804 0.300 . 1 . . . . 25 TYR CA . 11368 1 211 . 1 1 25 25 TYR CB C 13 38.191 0.300 . 1 . . . . 25 TYR CB . 11368 1 212 . 1 1 25 25 TYR CD1 C 13 132.687 0.300 . 1 . . . . 25 TYR CD1 . 11368 1 213 . 1 1 25 25 TYR CD2 C 13 132.687 0.300 . 1 . . . . 25 TYR CD2 . 11368 1 214 . 1 1 25 25 TYR CE1 C 13 118.313 0.300 . 1 . . . . 25 TYR CE1 . 11368 1 215 . 1 1 25 25 TYR CE2 C 13 118.313 0.300 . 1 . . . . 25 TYR CE2 . 11368 1 216 . 1 1 26 26 VAL H H 1 8.517 0.030 . 1 . . . . 26 VAL H . 11368 1 217 . 1 1 26 26 VAL HA H 1 3.628 0.030 . 1 . . . . 26 VAL HA . 11368 1 218 . 1 1 26 26 VAL HB H 1 2.119 0.030 . 1 . . . . 26 VAL HB . 11368 1 219 . 1 1 26 26 VAL HG11 H 1 1.023 0.030 . 1 . . . . 26 VAL HG1 . 11368 1 220 . 1 1 26 26 VAL HG12 H 1 1.023 0.030 . 1 . . . . 26 VAL HG1 . 11368 1 221 . 1 1 26 26 VAL HG13 H 1 1.023 0.030 . 1 . . . . 26 VAL HG1 . 11368 1 222 . 1 1 26 26 VAL HG21 H 1 0.987 0.030 . 1 . . . . 26 VAL HG2 . 11368 1 223 . 1 1 26 26 VAL HG22 H 1 0.987 0.030 . 1 . . . . 26 VAL HG2 . 11368 1 224 . 1 1 26 26 VAL HG23 H 1 0.987 0.030 . 1 . . . . 26 VAL HG2 . 11368 1 225 . 1 1 26 26 VAL C C 13 177.024 0.300 . 1 . . . . 26 VAL C . 11368 1 226 . 1 1 26 26 VAL CA C 13 65.345 0.300 . 1 . . . . 26 VAL CA . 11368 1 227 . 1 1 26 26 VAL CB C 13 31.122 0.300 . 1 . . . . 26 VAL CB . 11368 1 228 . 1 1 26 26 VAL CG1 C 13 21.196 0.300 . 2 . . . . 26 VAL CG1 . 11368 1 229 . 1 1 26 26 VAL CG2 C 13 20.775 0.300 . 2 . . . . 26 VAL CG2 . 11368 1 230 . 1 1 26 26 VAL N N 15 114.414 0.300 . 1 . . . . 26 VAL N . 11368 1 231 . 1 1 27 27 SER H H 1 6.771 0.030 . 1 . . . . 27 SER H . 11368 1 232 . 1 1 27 27 SER HA H 1 4.225 0.030 . 1 . . . . 27 SER HA . 11368 1 233 . 1 1 27 27 SER HB2 H 1 4.073 0.030 . 1 . . . . 27 SER HB2 . 11368 1 234 . 1 1 27 27 SER HB3 H 1 4.073 0.030 . 1 . . . . 27 SER HB3 . 11368 1 235 . 1 1 27 27 SER C C 13 176.212 0.300 . 1 . . . . 27 SER C . 11368 1 236 . 1 1 27 27 SER CA C 13 60.997 0.300 . 1 . . . . 27 SER CA . 11368 1 237 . 1 1 27 27 SER CB C 13 62.464 0.300 . 1 . . . . 27 SER CB . 11368 1 238 . 1 1 27 27 SER N N 15 115.108 0.300 . 1 . . . . 27 SER N . 11368 1 239 . 1 1 28 28 LEU H H 1 6.986 0.030 . 1 . . . . 28 LEU H . 11368 1 240 . 1 1 28 28 LEU HA H 1 3.090 0.030 . 1 . . . . 28 LEU HA . 11368 1 241 . 1 1 28 28 LEU HB2 H 1 1.917 0.030 . 2 . . . . 28 LEU HB2 . 11368 1 242 . 1 1 28 28 LEU HB3 H 1 1.080 0.030 . 2 . . . . 28 LEU HB3 . 11368 1 243 . 1 1 28 28 LEU HD11 H 1 0.925 0.030 . 1 . . . . 28 LEU HD1 . 11368 1 244 . 1 1 28 28 LEU HD12 H 1 0.925 0.030 . 1 . . . . 28 LEU HD1 . 11368 1 245 . 1 1 28 28 LEU HD13 H 1 0.925 0.030 . 1 . . . . 28 LEU HD1 . 11368 1 246 . 1 1 28 28 LEU HD21 H 1 0.925 0.030 . 1 . . . . 28 LEU HD2 . 11368 1 247 . 1 1 28 28 LEU HD22 H 1 0.925 0.030 . 1 . . . . 28 LEU HD2 . 11368 1 248 . 1 1 28 28 LEU HD23 H 1 0.925 0.030 . 1 . . . . 28 LEU HD2 . 11368 1 249 . 1 1 28 28 LEU HG H 1 1.325 0.030 . 1 . . . . 28 LEU HG . 11368 1 250 . 1 1 28 28 LEU C C 13 177.726 0.300 . 1 . . . . 28 LEU C . 11368 1 251 . 1 1 28 28 LEU CA C 13 57.786 0.300 . 1 . . . . 28 LEU CA . 11368 1 252 . 1 1 28 28 LEU CB C 13 40.113 0.300 . 1 . . . . 28 LEU CB . 11368 1 253 . 1 1 28 28 LEU CD1 C 13 26.321 0.300 . 2 . . . . 28 LEU CD1 . 11368 1 254 . 1 1 28 28 LEU CD2 C 13 22.945 0.300 . 2 . . . . 28 LEU CD2 . 11368 1 255 . 1 1 28 28 LEU CG C 13 27.430 0.300 . 1 . . . . 28 LEU CG . 11368 1 256 . 1 1 28 28 LEU N N 15 123.906 0.300 . 1 . . . . 28 LEU N . 11368 1 257 . 1 1 29 29 ILE H H 1 7.446 0.030 . 1 . . . . 29 ILE H . 11368 1 258 . 1 1 29 29 ILE HA H 1 3.618 0.030 . 1 . . . . 29 ILE HA . 11368 1 259 . 1 1 29 29 ILE HB H 1 1.854 0.030 . 1 . . . . 29 ILE HB . 11368 1 260 . 1 1 29 29 ILE HD11 H 1 0.562 0.030 . 1 . . . . 29 ILE HD1 . 11368 1 261 . 1 1 29 29 ILE HD12 H 1 0.562 0.030 . 1 . . . . 29 ILE HD1 . 11368 1 262 . 1 1 29 29 ILE HD13 H 1 0.562 0.030 . 1 . . . . 29 ILE HD1 . 11368 1 263 . 1 1 29 29 ILE HG12 H 1 1.031 0.030 . 2 . . . . 29 ILE HG12 . 11368 1 264 . 1 1 29 29 ILE HG13 H 1 0.863 0.030 . 2 . . . . 29 ILE HG13 . 11368 1 265 . 1 1 29 29 ILE HG21 H 1 0.760 0.030 . 1 . . . . 29 ILE HG2 . 11368 1 266 . 1 1 29 29 ILE HG22 H 1 0.760 0.030 . 1 . . . . 29 ILE HG2 . 11368 1 267 . 1 1 29 29 ILE HG23 H 1 0.760 0.030 . 1 . . . . 29 ILE HG2 . 11368 1 268 . 1 1 29 29 ILE C C 13 179.601 0.300 . 1 . . . . 29 ILE C . 11368 1 269 . 1 1 29 29 ILE CA C 13 63.344 0.300 . 1 . . . . 29 ILE CA . 11368 1 270 . 1 1 29 29 ILE CB C 13 36.011 0.300 . 1 . . . . 29 ILE CB . 11368 1 271 . 1 1 29 29 ILE CD1 C 13 10.199 0.300 . 1 . . . . 29 ILE CD1 . 11368 1 272 . 1 1 29 29 ILE CG1 C 13 26.951 0.300 . 1 . . . . 29 ILE CG1 . 11368 1 273 . 1 1 29 29 ILE CG2 C 13 17.369 0.300 . 1 . . . . 29 ILE CG2 . 11368 1 274 . 1 1 29 29 ILE N N 15 118.770 0.300 . 1 . . . . 29 ILE N . 11368 1 275 . 1 1 30 30 GLU H H 1 7.827 0.030 . 1 . . . . 30 GLU H . 11368 1 276 . 1 1 30 30 GLU HA H 1 3.950 0.030 . 1 . . . . 30 GLU HA . 11368 1 277 . 1 1 30 30 GLU HB2 H 1 1.966 0.030 . 1 . . . . 30 GLU HB2 . 11368 1 278 . 1 1 30 30 GLU HB3 H 1 1.966 0.030 . 1 . . . . 30 GLU HB3 . 11368 1 279 . 1 1 30 30 GLU HG2 H 1 2.440 0.030 . 2 . . . . 30 GLU HG2 . 11368 1 280 . 1 1 30 30 GLU HG3 H 1 2.194 0.030 . 2 . . . . 30 GLU HG3 . 11368 1 281 . 1 1 30 30 GLU C C 13 178.835 0.300 . 1 . . . . 30 GLU C . 11368 1 282 . 1 1 30 30 GLU CA C 13 59.106 0.300 . 1 . . . . 30 GLU CA . 11368 1 283 . 1 1 30 30 GLU CB C 13 29.732 0.300 . 1 . . . . 30 GLU CB . 11368 1 284 . 1 1 30 30 GLU CG C 13 36.526 0.300 . 1 . . . . 30 GLU CG . 11368 1 285 . 1 1 30 30 GLU N N 15 119.092 0.300 . 1 . . . . 30 GLU N . 11368 1 286 . 1 1 31 31 HIS H H 1 7.392 0.030 . 1 . . . . 31 HIS H . 11368 1 287 . 1 1 31 31 HIS HA H 1 4.207 0.030 . 1 . . . . 31 HIS HA . 11368 1 288 . 1 1 31 31 HIS HB2 H 1 3.138 0.030 . 2 . . . . 31 HIS HB2 . 11368 1 289 . 1 1 31 31 HIS HB3 H 1 2.827 0.030 . 2 . . . . 31 HIS HB3 . 11368 1 290 . 1 1 31 31 HIS HD2 H 1 6.919 0.030 . 1 . . . . 31 HIS HD2 . 11368 1 291 . 1 1 31 31 HIS HE1 H 1 8.004 0.030 . 1 . . . . 31 HIS HE1 . 11368 1 292 . 1 1 31 31 HIS C C 13 176.340 0.300 . 1 . . . . 31 HIS C . 11368 1 293 . 1 1 31 31 HIS CA C 13 58.742 0.300 . 1 . . . . 31 HIS CA . 11368 1 294 . 1 1 31 31 HIS CB C 13 28.551 0.300 . 1 . . . . 31 HIS CB . 11368 1 295 . 1 1 31 31 HIS CD2 C 13 127.017 0.300 . 1 . . . . 31 HIS CD2 . 11368 1 296 . 1 1 31 31 HIS CE1 C 13 139.705 0.300 . 1 . . . . 31 HIS CE1 . 11368 1 297 . 1 1 31 31 HIS N N 15 118.457 0.300 . 1 . . . . 31 HIS N . 11368 1 298 . 1 1 32 32 GLN H H 1 8.129 0.030 . 1 . . . . 32 GLN H . 11368 1 299 . 1 1 32 32 GLN HA H 1 3.716 0.030 . 1 . . . . 32 GLN HA . 11368 1 300 . 1 1 32 32 GLN HB2 H 1 2.297 0.030 . 2 . . . . 32 GLN HB2 . 11368 1 301 . 1 1 32 32 GLN HB3 H 1 2.201 0.030 . 2 . . . . 32 GLN HB3 . 11368 1 302 . 1 1 32 32 GLN HE21 H 1 7.384 0.030 . 2 . . . . 32 GLN HE21 . 11368 1 303 . 1 1 32 32 GLN HE22 H 1 6.970 0.030 . 2 . . . . 32 GLN HE22 . 11368 1 304 . 1 1 32 32 GLN HG2 H 1 2.807 0.030 . 1 . . . . 32 GLN HG2 . 11368 1 305 . 1 1 32 32 GLN HG3 H 1 2.807 0.030 . 1 . . . . 32 GLN HG3 . 11368 1 306 . 1 1 32 32 GLN C C 13 178.261 0.300 . 1 . . . . 32 GLN C . 11368 1 307 . 1 1 32 32 GLN CA C 13 59.284 0.300 . 1 . . . . 32 GLN CA . 11368 1 308 . 1 1 32 32 GLN CB C 13 28.147 0.300 . 1 . . . . 32 GLN CB . 11368 1 309 . 1 1 32 32 GLN CG C 13 35.099 0.300 . 1 . . . . 32 GLN CG . 11368 1 310 . 1 1 32 32 GLN N N 15 115.768 0.300 . 1 . . . . 32 GLN N . 11368 1 311 . 1 1 32 32 GLN NE2 N 15 111.203 0.300 . 1 . . . . 32 GLN NE2 . 11368 1 312 . 1 1 33 33 VAL H H 1 7.177 0.030 . 1 . . . . 33 VAL H . 11368 1 313 . 1 1 33 33 VAL HA H 1 3.823 0.030 . 1 . . . . 33 VAL HA . 11368 1 314 . 1 1 33 33 VAL HB H 1 2.138 0.030 . 1 . . . . 33 VAL HB . 11368 1 315 . 1 1 33 33 VAL HG11 H 1 1.059 0.030 . 1 . . . . 33 VAL HG1 . 11368 1 316 . 1 1 33 33 VAL HG12 H 1 1.059 0.030 . 1 . . . . 33 VAL HG1 . 11368 1 317 . 1 1 33 33 VAL HG13 H 1 1.059 0.030 . 1 . . . . 33 VAL HG1 . 11368 1 318 . 1 1 33 33 VAL HG21 H 1 0.976 0.030 . 1 . . . . 33 VAL HG2 . 11368 1 319 . 1 1 33 33 VAL HG22 H 1 0.976 0.030 . 1 . . . . 33 VAL HG2 . 11368 1 320 . 1 1 33 33 VAL HG23 H 1 0.976 0.030 . 1 . . . . 33 VAL HG2 . 11368 1 321 . 1 1 33 33 VAL C C 13 178.125 0.300 . 1 . . . . 33 VAL C . 11368 1 322 . 1 1 33 33 VAL CA C 13 65.138 0.300 . 1 . . . . 33 VAL CA . 11368 1 323 . 1 1 33 33 VAL CB C 13 31.733 0.300 . 1 . . . . 33 VAL CB . 11368 1 324 . 1 1 33 33 VAL CG1 C 13 21.526 0.300 . 2 . . . . 33 VAL CG1 . 11368 1 325 . 1 1 33 33 VAL CG2 C 13 21.018 0.300 . 2 . . . . 33 VAL CG2 . 11368 1 326 . 1 1 33 33 VAL N N 15 118.267 0.300 . 1 . . . . 33 VAL N . 11368 1 327 . 1 1 34 34 LEU H H 1 7.612 0.030 . 1 . . . . 34 LEU H . 11368 1 328 . 1 1 34 34 LEU HA H 1 4.002 0.030 . 1 . . . . 34 LEU HA . 11368 1 329 . 1 1 34 34 LEU HB2 H 1 1.300 0.030 . 2 . . . . 34 LEU HB2 . 11368 1 330 . 1 1 34 34 LEU HB3 H 1 1.152 0.030 . 2 . . . . 34 LEU HB3 . 11368 1 331 . 1 1 34 34 LEU HD11 H 1 0.842 0.030 . 1 . . . . 34 LEU HD1 . 11368 1 332 . 1 1 34 34 LEU HD12 H 1 0.842 0.030 . 1 . . . . 34 LEU HD1 . 11368 1 333 . 1 1 34 34 LEU HD13 H 1 0.842 0.030 . 1 . . . . 34 LEU HD1 . 11368 1 334 . 1 1 34 34 LEU HD21 H 1 0.784 0.030 . 1 . . . . 34 LEU HD2 . 11368 1 335 . 1 1 34 34 LEU HD22 H 1 0.784 0.030 . 1 . . . . 34 LEU HD2 . 11368 1 336 . 1 1 34 34 LEU HD23 H 1 0.784 0.030 . 1 . . . . 34 LEU HD2 . 11368 1 337 . 1 1 34 34 LEU HG H 1 1.562 0.030 . 1 . . . . 34 LEU HG . 11368 1 338 . 1 1 34 34 LEU C C 13 178.983 0.300 . 1 . . . . 34 LEU C . 11368 1 339 . 1 1 34 34 LEU CA C 13 56.844 0.300 . 1 . . . . 34 LEU CA . 11368 1 340 . 1 1 34 34 LEU CB C 13 41.220 0.300 . 1 . . . . 34 LEU CB . 11368 1 341 . 1 1 34 34 LEU CD1 C 13 24.825 0.300 . 2 . . . . 34 LEU CD1 . 11368 1 342 . 1 1 34 34 LEU CD2 C 13 23.295 0.300 . 2 . . . . 34 LEU CD2 . 11368 1 343 . 1 1 34 34 LEU CG C 13 26.912 0.300 . 1 . . . . 34 LEU CG . 11368 1 344 . 1 1 34 34 LEU N N 15 119.735 0.300 . 1 . . . . 34 LEU N . 11368 1 345 . 1 1 35 35 HIS H H 1 7.195 0.030 . 1 . . . . 35 HIS H . 11368 1 346 . 1 1 35 35 HIS HA H 1 4.838 0.030 . 1 . . . . 35 HIS HA . 11368 1 347 . 1 1 35 35 HIS HB2 H 1 3.377 0.030 . 2 . . . . 35 HIS HB2 . 11368 1 348 . 1 1 35 35 HIS HB3 H 1 3.135 0.030 . 2 . . . . 35 HIS HB3 . 11368 1 349 . 1 1 35 35 HIS HD2 H 1 6.726 0.030 . 1 . . . . 35 HIS HD2 . 11368 1 350 . 1 1 35 35 HIS HE1 H 1 8.065 0.030 . 1 . . . . 35 HIS HE1 . 11368 1 351 . 1 1 35 35 HIS C C 13 175.680 0.300 . 1 . . . . 35 HIS C . 11368 1 352 . 1 1 35 35 HIS CA C 13 55.089 0.300 . 1 . . . . 35 HIS CA . 11368 1 353 . 1 1 35 35 HIS CB C 13 28.785 0.300 . 1 . . . . 35 HIS CB . 11368 1 354 . 1 1 35 35 HIS CD2 C 13 127.311 0.300 . 1 . . . . 35 HIS CD2 . 11368 1 355 . 1 1 35 35 HIS CE1 C 13 140.064 0.300 . 1 . . . . 35 HIS CE1 . 11368 1 356 . 1 1 35 35 HIS N N 15 114.138 0.300 . 1 . . . . 35 HIS N . 11368 1 357 . 1 1 36 36 MET H H 1 7.672 0.030 . 1 . . . . 36 MET H . 11368 1 358 . 1 1 36 36 MET HA H 1 4.454 0.030 . 1 . . . . 36 MET HA . 11368 1 359 . 1 1 36 36 MET HB2 H 1 2.209 0.030 . 2 . . . . 36 MET HB2 . 11368 1 360 . 1 1 36 36 MET HB3 H 1 2.132 0.030 . 2 . . . . 36 MET HB3 . 11368 1 361 . 1 1 36 36 MET HE1 H 1 2.118 0.030 . 1 . . . . 36 MET HE . 11368 1 362 . 1 1 36 36 MET HE2 H 1 2.118 0.030 . 1 . . . . 36 MET HE . 11368 1 363 . 1 1 36 36 MET HE3 H 1 2.118 0.030 . 1 . . . . 36 MET HE . 11368 1 364 . 1 1 36 36 MET HG2 H 1 2.722 0.030 . 2 . . . . 36 MET HG2 . 11368 1 365 . 1 1 36 36 MET HG3 H 1 2.626 0.030 . 2 . . . . 36 MET HG3 . 11368 1 366 . 1 1 36 36 MET C C 13 177.060 0.300 . 1 . . . . 36 MET C . 11368 1 367 . 1 1 36 36 MET CA C 13 56.611 0.300 . 1 . . . . 36 MET CA . 11368 1 368 . 1 1 36 36 MET CB C 13 32.901 0.300 . 1 . . . . 36 MET CB . 11368 1 369 . 1 1 36 36 MET CE C 13 17.005 0.300 . 1 . . . . 36 MET CE . 11368 1 370 . 1 1 36 36 MET CG C 13 32.145 0.300 . 1 . . . . 36 MET CG . 11368 1 371 . 1 1 36 36 MET N N 15 119.074 0.300 . 1 . . . . 36 MET N . 11368 1 372 . 1 1 37 37 GLY H H 1 8.320 0.030 . 1 . . . . 37 GLY H . 11368 1 373 . 1 1 37 37 GLY HA2 H 1 3.991 0.030 . 1 . . . . 37 GLY HA2 . 11368 1 374 . 1 1 37 37 GLY HA3 H 1 3.991 0.030 . 1 . . . . 37 GLY HA3 . 11368 1 375 . 1 1 37 37 GLY C C 13 174.183 0.300 . 1 . . . . 37 GLY C . 11368 1 376 . 1 1 37 37 GLY CA C 13 45.627 0.300 . 1 . . . . 37 GLY CA . 11368 1 377 . 1 1 37 37 GLY N N 15 108.995 0.300 . 1 . . . . 37 GLY N . 11368 1 378 . 1 1 38 38 GLN H H 1 8.123 0.030 . 1 . . . . 38 GLN H . 11368 1 379 . 1 1 38 38 GLN HA H 1 4.341 0.030 . 1 . . . . 38 GLN HA . 11368 1 380 . 1 1 38 38 GLN HB2 H 1 2.153 0.030 . 2 . . . . 38 GLN HB2 . 11368 1 381 . 1 1 38 38 GLN HB3 H 1 2.041 0.030 . 2 . . . . 38 GLN HB3 . 11368 1 382 . 1 1 38 38 GLN HG2 H 1 2.400 0.030 . 1 . . . . 38 GLN HG2 . 11368 1 383 . 1 1 38 38 GLN HG3 H 1 2.400 0.030 . 1 . . . . 38 GLN HG3 . 11368 1 384 . 1 1 38 38 GLN C C 13 176.263 0.300 . 1 . . . . 38 GLN C . 11368 1 385 . 1 1 38 38 GLN CA C 13 55.937 0.300 . 1 . . . . 38 GLN CA . 11368 1 386 . 1 1 38 38 GLN CB C 13 29.468 0.300 . 1 . . . . 38 GLN CB . 11368 1 387 . 1 1 38 38 GLN CG C 13 33.864 0.300 . 1 . . . . 38 GLN CG . 11368 1 388 . 1 1 38 38 GLN N N 15 119.671 0.300 . 1 . . . . 38 GLN N . 11368 1 389 . 1 1 39 39 LYS H H 1 8.365 0.030 . 1 . . . . 39 LYS H . 11368 1 390 . 1 1 39 39 LYS HA H 1 4.352 0.030 . 1 . . . . 39 LYS HA . 11368 1 391 . 1 1 39 39 LYS HB2 H 1 1.871 0.030 . 2 . . . . 39 LYS HB2 . 11368 1 392 . 1 1 39 39 LYS HB3 H 1 1.811 0.030 . 2 . . . . 39 LYS HB3 . 11368 1 393 . 1 1 39 39 LYS HD2 H 1 1.706 0.030 . 1 . . . . 39 LYS HD2 . 11368 1 394 . 1 1 39 39 LYS HD3 H 1 1.706 0.030 . 1 . . . . 39 LYS HD3 . 11368 1 395 . 1 1 39 39 LYS HE2 H 1 3.024 0.030 . 1 . . . . 39 LYS HE2 . 11368 1 396 . 1 1 39 39 LYS HE3 H 1 3.024 0.030 . 1 . . . . 39 LYS HE3 . 11368 1 397 . 1 1 39 39 LYS HG2 H 1 1.482 0.030 . 2 . . . . 39 LYS HG2 . 11368 1 398 . 1 1 39 39 LYS HG3 H 1 1.436 0.030 . 2 . . . . 39 LYS HG3 . 11368 1 399 . 1 1 39 39 LYS C C 13 176.434 0.300 . 1 . . . . 39 LYS C . 11368 1 400 . 1 1 39 39 LYS CA C 13 56.475 0.300 . 1 . . . . 39 LYS CA . 11368 1 401 . 1 1 39 39 LYS CB C 13 32.975 0.300 . 1 . . . . 39 LYS CB . 11368 1 402 . 1 1 39 39 LYS CD C 13 29.054 0.300 . 1 . . . . 39 LYS CD . 11368 1 403 . 1 1 39 39 LYS CE C 13 42.221 0.300 . 1 . . . . 39 LYS CE . 11368 1 404 . 1 1 39 39 LYS CG C 13 24.706 0.300 . 1 . . . . 39 LYS CG . 11368 1 405 . 1 1 39 39 LYS N N 15 122.168 0.300 . 1 . . . . 39 LYS N . 11368 1 406 . 1 1 40 40 ASN H H 1 8.486 0.030 . 1 . . . . 40 ASN H . 11368 1 407 . 1 1 40 40 ASN HA H 1 4.810 0.030 . 1 . . . . 40 ASN HA . 11368 1 408 . 1 1 40 40 ASN HB2 H 1 2.892 0.030 . 2 . . . . 40 ASN HB2 . 11368 1 409 . 1 1 40 40 ASN HB3 H 1 2.805 0.030 . 2 . . . . 40 ASN HB3 . 11368 1 410 . 1 1 40 40 ASN C C 13 175.113 0.300 . 1 . . . . 40 ASN C . 11368 1 411 . 1 1 40 40 ASN CA C 13 53.368 0.300 . 1 . . . . 40 ASN CA . 11368 1 412 . 1 1 40 40 ASN CB C 13 39.061 0.300 . 1 . . . . 40 ASN CB . 11368 1 413 . 1 1 40 40 ASN N N 15 119.880 0.300 . 1 . . . . 40 ASN N . 11368 1 414 . 1 1 41 41 SER H H 1 8.320 0.030 . 1 . . . . 41 SER H . 11368 1 415 . 1 1 41 41 SER HA H 1 4.525 0.030 . 1 . . . . 41 SER HA . 11368 1 416 . 1 1 41 41 SER C C 13 174.468 0.300 . 1 . . . . 41 SER C . 11368 1 417 . 1 1 41 41 SER CA C 13 58.355 0.300 . 1 . . . . 41 SER CA . 11368 1 418 . 1 1 41 41 SER CB C 13 64.149 0.300 . 1 . . . . 41 SER CB . 11368 1 419 . 1 1 41 41 SER N N 15 116.307 0.300 . 1 . . . . 41 SER N . 11368 1 420 . 1 1 42 42 GLY H H 1 8.283 0.030 . 1 . . . . 42 GLY H . 11368 1 421 . 1 1 42 42 GLY C C 13 174.409 0.300 . 1 . . . . 42 GLY C . 11368 1 422 . 1 1 42 42 GLY CA C 13 44.682 0.300 . 1 . . . . 42 GLY CA . 11368 1 423 . 1 1 42 42 GLY N N 15 110.723 0.300 . 1 . . . . 42 GLY N . 11368 1 424 . 1 1 43 43 PRO HA H 1 4.515 0.030 . 1 . . . . 43 PRO HA . 11368 1 425 . 1 1 43 43 PRO HB2 H 1 2.322 0.030 . 2 . . . . 43 PRO HB2 . 11368 1 426 . 1 1 43 43 PRO HB3 H 1 2.004 0.030 . 2 . . . . 43 PRO HB3 . 11368 1 427 . 1 1 43 43 PRO HD2 H 1 3.663 0.030 . 1 . . . . 43 PRO HD2 . 11368 1 428 . 1 1 43 43 PRO HD3 H 1 3.663 0.030 . 1 . . . . 43 PRO HD3 . 11368 1 429 . 1 1 43 43 PRO HG2 H 1 2.051 0.030 . 1 . . . . 43 PRO HG2 . 11368 1 430 . 1 1 43 43 PRO HG3 H 1 2.051 0.030 . 1 . . . . 43 PRO HG3 . 11368 1 431 . 1 1 43 43 PRO C C 13 177.478 0.300 . 1 . . . . 43 PRO C . 11368 1 432 . 1 1 43 43 PRO CA C 13 63.329 0.300 . 1 . . . . 43 PRO CA . 11368 1 433 . 1 1 43 43 PRO CB C 13 32.229 0.300 . 1 . . . . 43 PRO CB . 11368 1 434 . 1 1 43 43 PRO CD C 13 49.843 0.300 . 1 . . . . 43 PRO CD . 11368 1 435 . 1 1 43 43 PRO CG C 13 27.180 0.300 . 1 . . . . 43 PRO CG . 11368 1 436 . 1 1 44 44 SER H H 1 8.519 0.030 . 1 . . . . 44 SER H . 11368 1 437 . 1 1 44 44 SER HA H 1 4.554 0.030 . 1 . . . . 44 SER HA . 11368 1 438 . 1 1 44 44 SER HB2 H 1 3.342 0.030 . 2 . . . . 44 SER HB2 . 11368 1 439 . 1 1 44 44 SER C C 13 174.603 0.300 . 1 . . . . 44 SER C . 11368 1 440 . 1 1 44 44 SER CA C 13 58.425 0.300 . 1 . . . . 44 SER CA . 11368 1 441 . 1 1 44 44 SER CB C 13 63.974 0.300 . 1 . . . . 44 SER CB . 11368 1 442 . 1 1 44 44 SER N N 15 116.379 0.300 . 1 . . . . 44 SER N . 11368 1 443 . 1 1 45 45 SER H H 1 8.326 0.030 . 1 . . . . 45 SER H . 11368 1 444 . 1 1 45 45 SER HA H 1 4.511 0.030 . 1 . . . . 45 SER HA . 11368 1 445 . 1 1 45 45 SER HB2 H 1 3.322 0.030 . 2 . . . . 45 SER HB2 . 11368 1 446 . 1 1 45 45 SER C C 13 173.838 0.300 . 1 . . . . 45 SER C . 11368 1 447 . 1 1 45 45 SER CA C 13 58.390 0.300 . 1 . . . . 45 SER CA . 11368 1 448 . 1 1 45 45 SER CB C 13 64.185 0.300 . 1 . . . . 45 SER CB . 11368 1 449 . 1 1 45 45 SER N N 15 117.827 0.300 . 1 . . . . 45 SER N . 11368 1 450 . 1 1 46 46 GLY H H 1 8.049 0.030 . 1 . . . . 46 GLY H . 11368 1 451 . 1 1 46 46 GLY C C 13 178.531 0.300 . 1 . . . . 46 GLY C . 11368 1 452 . 1 1 46 46 GLY CA C 13 46.228 0.300 . 1 . . . . 46 GLY CA . 11368 1 453 . 1 1 46 46 GLY N N 15 116.871 0.300 . 1 . . . . 46 GLY N . 11368 1 stop_ save_