################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 11606 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 6 '3D CBCA(CO)NH' 1 $sample_1 isotropic 11606 1 7 '3D HNCO' 1 $sample_1 isotropic 11606 1 11 '3D HBHA(CO)NH' 1 $sample_1 isotropic 11606 1 12 '3D HCCH-TOCSY' 2 $sample_2 isotropic 11606 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 3 3 HIS HA H 1 4.639 0.040 . 1 . . . . A 0 HIS HA . 11606 1 2 . 1 . 1 3 3 HIS HB2 H 1 3.159 0.040 . 2 . . . . A 0 HIS HB2 . 11606 1 3 . 1 . 1 3 3 HIS HB3 H 1 3.112 0.040 . 2 . . . . A 0 HIS HB3 . 11606 1 4 . 1 . 1 3 3 HIS HD2 H 1 7.153 0.040 . 1 . . . . A 0 HIS HD2 . 11606 1 5 . 1 . 1 3 3 HIS C C 13 175.021 0.450 . 1 . . . . A 0 HIS C . 11606 1 6 . 1 . 1 3 3 HIS CA C 13 56.027 0.450 . 1 . . . . A 0 HIS CA . 11606 1 7 . 1 . 1 3 3 HIS CB C 13 29.577 0.450 . 1 . . . . A 0 HIS CB . 11606 1 8 . 1 . 1 3 3 HIS CD2 C 13 119.693 0.450 . 1 . . . . A 0 HIS CD2 . 11606 1 9 . 1 . 1 4 4 MET H H 1 8.504 0.040 . 1 . . . . A 1 MET H . 11606 1 10 . 1 . 1 4 4 MET HA H 1 4.407 0.040 . 1 . . . . A 1 MET HA . 11606 1 11 . 1 . 1 4 4 MET HB2 H 1 2.060 0.040 . 2 . . . . A 1 MET HB2 . 11606 1 12 . 1 . 1 4 4 MET HB3 H 1 1.946 0.040 . 2 . . . . A 1 MET HB3 . 11606 1 13 . 1 . 1 4 4 MET HG2 H 1 2.505 0.040 . 2 . . . . A 1 MET HG2 . 11606 1 14 . 1 . 1 4 4 MET HG3 H 1 2.419 0.040 . 2 . . . . A 1 MET HG3 . 11606 1 15 . 1 . 1 4 4 MET HE1 H 1 2.041 0.040 . 1 . . . . A 1 MET HE1 . 11606 1 16 . 1 . 1 4 4 MET HE2 H 1 2.041 0.040 . 1 . . . . A 1 MET HE2 . 11606 1 17 . 1 . 1 4 4 MET HE3 H 1 2.041 0.040 . 1 . . . . A 1 MET HE3 . 11606 1 18 . 1 . 1 4 4 MET C C 13 176.627 0.450 . 1 . . . . A 1 MET C . 11606 1 19 . 1 . 1 4 4 MET CA C 13 55.549 0.450 . 1 . . . . A 1 MET CA . 11606 1 20 . 1 . 1 4 4 MET CB C 13 32.409 0.450 . 1 . . . . A 1 MET CB . 11606 1 21 . 1 . 1 4 4 MET CG C 13 31.892 0.450 . 1 . . . . A 1 MET CG . 11606 1 22 . 1 . 1 4 4 MET CE C 13 16.780 0.450 . 1 . . . . A 1 MET CE . 11606 1 23 . 1 . 1 4 4 MET N N 15 121.453 0.450 . 1 . . . . A 1 MET N . 11606 1 24 . 1 . 1 5 5 GLY H H 1 8.475 0.040 . 1 . . . . A 2 GLY H . 11606 1 25 . 1 . 1 5 5 GLY HA2 H 1 3.902 0.040 . 2 . . . . A 2 GLY HA2 . 11606 1 26 . 1 . 1 5 5 GLY HA3 H 1 3.902 0.040 . 2 . . . . A 2 GLY HA3 . 11606 1 27 . 1 . 1 5 5 GLY C C 13 173.930 0.450 . 1 . . . . A 2 GLY C . 11606 1 28 . 1 . 1 5 5 GLY CA C 13 45.120 0.450 . 1 . . . . A 2 GLY CA . 11606 1 29 . 1 . 1 5 5 GLY N N 15 110.195 0.450 . 1 . . . . A 2 GLY N . 11606 1 30 . 1 . 1 6 6 LYS H H 1 8.172 0.040 . 1 . . . . A 3 LYS H . 11606 1 31 . 1 . 1 6 6 LYS HA H 1 4.250 0.040 . 1 . . . . A 3 LYS HA . 11606 1 32 . 1 . 1 6 6 LYS HB2 H 1 1.796 0.040 . 2 . . . . A 3 LYS HB2 . 11606 1 33 . 1 . 1 6 6 LYS HB3 H 1 1.689 0.040 . 2 . . . . A 3 LYS HB3 . 11606 1 34 . 1 . 1 6 6 LYS C C 13 176.708 0.450 . 1 . . . . A 3 LYS C . 11606 1 35 . 1 . 1 6 6 LYS CA C 13 56.254 0.450 . 1 . . . . A 3 LYS CA . 11606 1 36 . 1 . 1 6 6 LYS CB C 13 33.048 0.450 . 1 . . . . A 3 LYS CB . 11606 1 37 . 1 . 1 6 6 LYS CG C 13 24.738 0.450 . 1 . . . . A 3 LYS CG . 11606 1 38 . 1 . 1 6 6 LYS CD C 13 29.188 0.450 . 1 . . . . A 3 LYS CD . 11606 1 39 . 1 . 1 6 6 LYS CE C 13 41.989 0.450 . 1 . . . . A 3 LYS CE . 11606 1 40 . 1 . 1 6 6 LYS N N 15 120.984 0.450 . 1 . . . . A 3 LYS N . 11606 1 41 . 1 . 1 7 7 LYS H H 1 8.506 0.040 . 1 . . . . A 4 LYS H . 11606 1 42 . 1 . 1 7 7 LYS HA H 1 4.331 0.040 . 1 . . . . A 4 LYS HA . 11606 1 43 . 1 . 1 7 7 LYS HB2 H 1 1.795 0.040 . 2 . . . . A 4 LYS HB2 . 11606 1 44 . 1 . 1 7 7 LYS HB3 H 1 1.705 0.040 . 2 . . . . A 4 LYS HB3 . 11606 1 45 . 1 . 1 7 7 LYS C C 13 176.740 0.450 . 1 . . . . A 4 LYS C . 11606 1 46 . 1 . 1 7 7 LYS CA C 13 56.421 0.450 . 1 . . . . A 4 LYS CA . 11606 1 47 . 1 . 1 7 7 LYS CB C 13 33.048 0.450 . 1 . . . . A 4 LYS CB . 11606 1 48 . 1 . 1 7 7 LYS N N 15 122.987 0.450 . 1 . . . . A 4 LYS N . 11606 1 49 . 1 . 1 8 8 THR H H 1 8.217 0.040 . 1 . . . . A 5 THR H . 11606 1 50 . 1 . 1 8 8 THR HA H 1 4.269 0.040 . 1 . . . . A 5 THR HA . 11606 1 51 . 1 . 1 8 8 THR HB H 1 4.125 0.040 . 1 . . . . A 5 THR HB . 11606 1 52 . 1 . 1 8 8 THR HG21 H 1 1.153 0.040 . 1 . . . . A 5 THR HG21 . 11606 1 53 . 1 . 1 8 8 THR HG22 H 1 1.153 0.040 . 1 . . . . A 5 THR HG22 . 11606 1 54 . 1 . 1 8 8 THR HG23 H 1 1.153 0.040 . 1 . . . . A 5 THR HG23 . 11606 1 55 . 1 . 1 8 8 THR C C 13 174.179 0.450 . 1 . . . . A 5 THR C . 11606 1 56 . 1 . 1 8 8 THR CA C 13 61.775 0.450 . 1 . . . . A 5 THR CA . 11606 1 57 . 1 . 1 8 8 THR CB C 13 69.681 0.450 . 1 . . . . A 5 THR CB . 11606 1 58 . 1 . 1 8 8 THR CG2 C 13 21.617 0.450 . 1 . . . . A 5 THR CG2 . 11606 1 59 . 1 . 1 8 8 THR N N 15 116.140 0.450 . 1 . . . . A 5 THR N . 11606 1 60 . 1 . 1 9 9 LYS H H 1 8.336 0.040 . 1 . . . . A 6 LYS H . 11606 1 61 . 1 . 1 9 9 LYS HA H 1 4.336 0.040 . 1 . . . . A 6 LYS HA . 11606 1 62 . 1 . 1 9 9 LYS HB2 H 1 1.809 0.040 . 2 . . . . A 6 LYS HB2 . 11606 1 63 . 1 . 1 9 9 LYS HB3 H 1 1.712 0.040 . 2 . . . . A 6 LYS HB3 . 11606 1 64 . 1 . 1 9 9 LYS C C 13 176.374 0.450 . 1 . . . . A 6 LYS C . 11606 1 65 . 1 . 1 9 9 LYS CA C 13 56.317 0.450 . 1 . . . . A 6 LYS CA . 11606 1 66 . 1 . 1 9 9 LYS CB C 13 33.046 0.450 . 1 . . . . A 6 LYS CB . 11606 1 67 . 1 . 1 9 9 LYS CG C 13 24.797 0.450 . 1 . . . . A 6 LYS CG . 11606 1 68 . 1 . 1 9 9 LYS N N 15 124.104 0.450 . 1 . . . . A 6 LYS N . 11606 1 69 . 1 . 1 10 10 ARG H H 1 8.767 0.040 . 1 . . . . A 7 ARG H . 11606 1 70 . 1 . 1 10 10 ARG HA H 1 4.346 0.040 . 1 . . . . A 7 ARG HA . 11606 1 71 . 1 . 1 10 10 ARG HB2 H 1 1.815 0.040 . 2 . . . . A 7 ARG HB2 . 11606 1 72 . 1 . 1 10 10 ARG HB3 H 1 1.815 0.040 . 2 . . . . A 7 ARG HB3 . 11606 1 73 . 1 . 1 10 10 ARG HG2 H 1 1.593 0.040 . 2 . . . . A 7 ARG HG2 . 11606 1 74 . 1 . 1 10 10 ARG HG3 H 1 1.593 0.040 . 2 . . . . A 7 ARG HG3 . 11606 1 75 . 1 . 1 10 10 ARG HD2 H 1 3.156 0.040 . 2 . . . . A 7 ARG HD2 . 11606 1 76 . 1 . 1 10 10 ARG HD3 H 1 3.156 0.040 . 2 . . . . A 7 ARG HD3 . 11606 1 77 . 1 . 1 10 10 ARG HE H 1 7.488 0.040 . 1 . . . . A 7 ARG HE . 11606 1 78 . 1 . 1 10 10 ARG C C 13 176.733 0.450 . 1 . . . . A 7 ARG C . 11606 1 79 . 1 . 1 10 10 ARG CA C 13 56.476 0.450 . 1 . . . . A 7 ARG CA . 11606 1 80 . 1 . 1 10 10 ARG CB C 13 30.881 0.450 . 1 . . . . A 7 ARG CB . 11606 1 81 . 1 . 1 10 10 ARG CG C 13 27.128 0.450 . 1 . . . . A 7 ARG CG . 11606 1 82 . 1 . 1 10 10 ARG CD C 13 43.070 0.450 . 1 . . . . A 7 ARG CD . 11606 1 83 . 1 . 1 10 10 ARG CZ C 13 159.526 0.450 . 1 . . . . A 7 ARG CZ . 11606 1 84 . 1 . 1 10 10 ARG N N 15 123.563 0.450 . 1 . . . . A 7 ARG N . 11606 1 85 . 1 . 1 10 10 ARG NE N 15 84.792 0.450 . 1 . . . . A 7 ARG NE . 11606 1 86 . 1 . 1 11 11 THR H H 1 8.347 0.040 . 1 . . . . A 8 THR H . 11606 1 87 . 1 . 1 11 11 THR HA H 1 4.350 0.040 . 1 . . . . A 8 THR HA . 11606 1 88 . 1 . 1 11 11 THR HB H 1 4.268 0.040 . 1 . . . . A 8 THR HB . 11606 1 89 . 1 . 1 11 11 THR HG21 H 1 1.179 0.040 . 1 . . . . A 8 THR HG21 . 11606 1 90 . 1 . 1 11 11 THR HG22 H 1 1.179 0.040 . 1 . . . . A 8 THR HG22 . 11606 1 91 . 1 . 1 11 11 THR HG23 H 1 1.179 0.040 . 1 . . . . A 8 THR HG23 . 11606 1 92 . 1 . 1 11 11 THR C C 13 174.440 0.450 . 1 . . . . A 8 THR C . 11606 1 93 . 1 . 1 11 11 THR CA C 13 61.494 0.450 . 1 . . . . A 8 THR CA . 11606 1 94 . 1 . 1 11 11 THR CB C 13 70.217 0.450 . 1 . . . . A 8 THR CB . 11606 1 95 . 1 . 1 11 11 THR CG2 C 13 21.695 0.450 . 1 . . . . A 8 THR CG2 . 11606 1 96 . 1 . 1 11 11 THR N N 15 114.324 0.450 . 1 . . . . A 8 THR N . 11606 1 97 . 1 . 1 12 12 ALA H H 1 8.397 0.040 . 1 . . . . A 9 ALA H . 11606 1 98 . 1 . 1 12 12 ALA HA H 1 4.257 0.040 . 1 . . . . A 9 ALA HA . 11606 1 99 . 1 . 1 12 12 ALA HB1 H 1 1.370 0.040 . 1 . . . . A 9 ALA HB1 . 11606 1 100 . 1 . 1 12 12 ALA HB2 H 1 1.370 0.040 . 1 . . . . A 9 ALA HB2 . 11606 1 101 . 1 . 1 12 12 ALA HB3 H 1 1.370 0.040 . 1 . . . . A 9 ALA HB3 . 11606 1 102 . 1 . 1 12 12 ALA C C 13 177.463 0.450 . 1 . . . . A 9 ALA C . 11606 1 103 . 1 . 1 12 12 ALA CA C 13 52.885 0.450 . 1 . . . . A 9 ALA CA . 11606 1 104 . 1 . 1 12 12 ALA CB C 13 19.119 0.450 . 1 . . . . A 9 ALA CB . 11606 1 105 . 1 . 1 12 12 ALA N N 15 124.140 0.450 . 1 . . . . A 9 ALA N . 11606 1 106 . 1 . 1 13 13 ASP H H 1 8.123 0.040 . 1 . . . . A 10 ASP H . 11606 1 107 . 1 . 1 13 13 ASP HA H 1 4.590 0.040 . 1 . . . . A 10 ASP HA . 11606 1 108 . 1 . 1 13 13 ASP HB2 H 1 2.715 0.040 . 2 . . . . A 10 ASP HB2 . 11606 1 109 . 1 . 1 13 13 ASP HB3 H 1 2.574 0.040 . 2 . . . . A 10 ASP HB3 . 11606 1 110 . 1 . 1 13 13 ASP C C 13 176.123 0.450 . 1 . . . . A 10 ASP C . 11606 1 111 . 1 . 1 13 13 ASP CA C 13 54.287 0.450 . 1 . . . . A 10 ASP CA . 11606 1 112 . 1 . 1 13 13 ASP CB C 13 41.296 0.450 . 1 . . . . A 10 ASP CB . 11606 1 113 . 1 . 1 13 13 ASP N N 15 117.956 0.450 . 1 . . . . A 10 ASP N . 11606 1 114 . 1 . 1 14 14 SEP CA C 13 57.536 0.450 . 1 . . . . A 11 SEP CA . 11606 1 115 . 1 . 1 14 14 SEP CB C 13 66.221 0.450 . 1 . . . . A 11 SEP CB . 11606 1 116 . 1 . 1 14 14 SEP H H 1 8.317 0.040 . 1 . . . . A 11 SEP H . 11606 1 117 . 1 . 1 14 14 SEP HA H 1 4.551 0.040 . 1 . . . . A 11 SEP HA . 11606 1 118 . 1 . 1 14 14 SEP HB2 H 1 4.055 0.040 . 2 . . . . A 11 SEP HB2 . 11606 1 119 . 1 . 1 14 14 SEP HB3 H 1 4.055 0.040 . 2 . . . . A 11 SEP HB3 . 11606 1 120 . 1 . 1 14 14 SEP N N 15 116.166 0.450 . 1 . . . . A 11 SEP N . 11606 1 121 . 1 . 1 15 15 SEP CA C 13 57.506 0.450 . 1 . . . . A 12 SEP CA . 11606 1 122 . 1 . 1 15 15 SEP CB C 13 66.420 0.450 . 1 . . . . A 12 SEP CB . 11606 1 123 . 1 . 1 15 15 SEP H H 1 8.813 0.040 . 1 . . . . A 12 SEP H . 11606 1 124 . 1 . 1 15 15 SEP HA H 1 4.533 0.040 . 1 . . . . A 12 SEP HA . 11606 1 125 . 1 . 1 15 15 SEP HB2 H 1 4.055 0.040 . 2 . . . . A 12 SEP HB2 . 11606 1 126 . 1 . 1 15 15 SEP HB3 H 1 4.055 0.040 . 2 . . . . A 12 SEP HB3 . 11606 1 127 . 1 . 1 15 15 SEP N N 15 118.780 0.450 . 1 . . . . A 12 SEP N . 11606 1 128 . 1 . 1 16 16 SEP CA C 13 57.550 0.450 . 1 . . . . A 13 SEP CA . 11606 1 129 . 1 . 1 16 16 SEP CB C 13 66.398 0.450 . 1 . . . . A 13 SEP CB . 11606 1 130 . 1 . 1 16 16 SEP H H 1 8.894 0.040 . 1 . . . . A 13 SEP H . 11606 1 131 . 1 . 1 16 16 SEP HB2 H 1 4.055 0.040 . 2 . . . . A 13 SEP HB2 . 11606 1 132 . 1 . 1 16 16 SEP HB3 H 1 4.055 0.040 . 2 . . . . A 13 SEP HB3 . 11606 1 133 . 1 . 1 16 16 SEP N N 15 118.963 0.450 . 1 . . . . A 13 SEP N . 11606 1 134 . 1 . 1 17 17 SEP C C 13 173.887 0.450 . 1 . . . . A 14 SEP C . 11606 1 135 . 1 . 1 17 17 SEP CA C 13 57.431 0.450 . 1 . . . . A 14 SEP CA . 11606 1 136 . 1 . 1 17 17 SEP CB C 13 66.448 0.450 . 1 . . . . A 14 SEP CB . 11606 1 137 . 1 . 1 17 17 SEP H H 1 8.870 0.040 . 1 . . . . A 14 SEP H . 11606 1 138 . 1 . 1 17 17 SEP HA H 1 4.538 0.040 . 1 . . . . A 14 SEP HA . 11606 1 139 . 1 . 1 17 17 SEP HB2 H 1 4.020 0.040 . 2 . . . . A 14 SEP HB2 . 11606 1 140 . 1 . 1 17 17 SEP HB3 H 1 4.020 0.040 . 2 . . . . A 14 SEP HB3 . 11606 1 141 . 1 . 1 17 17 SEP N N 15 118.665 0.450 . 1 . . . . A 14 SEP N . 11606 1 142 . 1 . 1 18 18 GLU H H 1 8.524 0.040 . 1 . . . . A 15 GLU H . 11606 1 143 . 1 . 1 18 18 GLU HA H 1 4.294 0.040 . 1 . . . . A 15 GLU HA . 11606 1 144 . 1 . 1 18 18 GLU HB2 H 1 1.889 0.040 . 2 . . . . A 15 GLU HB2 . 11606 1 145 . 1 . 1 18 18 GLU HB3 H 1 1.889 0.040 . 2 . . . . A 15 GLU HB3 . 11606 1 146 . 1 . 1 18 18 GLU C C 13 175.861 0.450 . 1 . . . . A 15 GLU C . 11606 1 147 . 1 . 1 18 18 GLU CA C 13 56.283 0.450 . 1 . . . . A 15 GLU CA . 11606 1 148 . 1 . 1 18 18 GLU CB C 13 30.815 0.450 . 1 . . . . A 15 GLU CB . 11606 1 149 . 1 . 1 18 18 GLU N N 15 122.536 0.450 . 1 . . . . A 15 GLU N . 11606 1 150 . 1 . 1 19 19 ASP H H 1 8.520 0.040 . 1 . . . . A 16 ASP H . 11606 1 151 . 1 . 1 19 19 ASP HA H 1 4.584 0.040 . 1 . . . . A 16 ASP HA . 11606 1 152 . 1 . 1 19 19 ASP HB2 H 1 2.715 0.040 . 2 . . . . A 16 ASP HB2 . 11606 1 153 . 1 . 1 19 19 ASP HB3 H 1 2.574 0.040 . 2 . . . . A 16 ASP HB3 . 11606 1 154 . 1 . 1 19 19 ASP C C 13 176.344 0.450 . 1 . . . . A 16 ASP C . 11606 1 155 . 1 . 1 19 19 ASP CA C 13 54.285 0.450 . 1 . . . . A 16 ASP CA . 11606 1 156 . 1 . 1 19 19 ASP CB C 13 41.296 0.450 . 1 . . . . A 16 ASP CB . 11606 1 157 . 1 . 1 19 19 ASP N N 15 122.548 0.450 . 1 . . . . A 16 ASP N . 11606 1 158 . 1 . 1 20 20 GLU H H 1 8.478 0.040 . 1 . . . . A 17 GLU H . 11606 1 159 . 1 . 1 20 20 GLU HA H 1 4.343 0.040 . 1 . . . . A 17 GLU HA . 11606 1 160 . 1 . 1 20 20 GLU HB2 H 1 1.859 0.040 . 2 . . . . A 17 GLU HB2 . 11606 1 161 . 1 . 1 20 20 GLU HB3 H 1 1.859 0.040 . 2 . . . . A 17 GLU HB3 . 11606 1 162 . 1 . 1 20 20 GLU C C 13 176.089 0.450 . 1 . . . . A 17 GLU C . 11606 1 163 . 1 . 1 20 20 GLU CA C 13 56.309 0.450 . 1 . . . . A 17 GLU CA . 11606 1 164 . 1 . 1 20 20 GLU CB C 13 30.602 0.450 . 1 . . . . A 17 GLU CB . 11606 1 165 . 1 . 1 20 20 GLU N N 15 122.388 0.450 . 1 . . . . A 17 GLU N . 11606 1 166 . 1 . 1 21 21 GLU H H 1 8.295 0.040 . 1 . . . . A 18 GLU H . 11606 1 167 . 1 . 1 21 21 GLU HA H 1 4.243 0.040 . 1 . . . . A 18 GLU HA . 11606 1 168 . 1 . 1 21 21 GLU HB2 H 1 2.016 0.040 . 2 . . . . A 18 GLU HB2 . 11606 1 169 . 1 . 1 21 21 GLU HB3 H 1 1.917 0.040 . 2 . . . . A 18 GLU HB3 . 11606 1 170 . 1 . 1 21 21 GLU HG2 H 1 2.210 0.040 . 2 . . . . A 18 GLU HG2 . 11606 1 171 . 1 . 1 21 21 GLU HG3 H 1 2.210 0.040 . 2 . . . . A 18 GLU HG3 . 11606 1 172 . 1 . 1 21 21 GLU C C 13 174.718 0.450 . 1 . . . . A 18 GLU C . 11606 1 173 . 1 . 1 21 21 GLU CA C 13 56.573 0.450 . 1 . . . . A 18 GLU CA . 11606 1 174 . 1 . 1 21 21 GLU CB C 13 30.344 0.450 . 1 . . . . A 18 GLU CB . 11606 1 175 . 1 . 1 21 21 GLU CG C 13 36.183 0.450 . 1 . . . . A 18 GLU CG . 11606 1 176 . 1 . 1 21 21 GLU N N 15 121.757 0.450 . 1 . . . . A 18 GLU N . 11606 1 177 . 1 . 1 22 22 GLU H H 1 7.932 0.040 . 1 . . . . A 19 GLU H . 11606 1 178 . 1 . 1 22 22 GLU HA H 1 4.578 0.040 . 1 . . . . A 19 GLU HA . 11606 1 179 . 1 . 1 22 22 GLU HB2 H 1 1.786 0.040 . 2 . . . . A 19 GLU HB2 . 11606 1 180 . 1 . 1 22 22 GLU HB3 H 1 1.786 0.040 . 2 . . . . A 19 GLU HB3 . 11606 1 181 . 1 . 1 22 22 GLU HG2 H 1 2.132 0.040 . 2 . . . . A 19 GLU HG2 . 11606 1 182 . 1 . 1 22 22 GLU HG3 H 1 2.031 0.040 . 2 . . . . A 19 GLU HG3 . 11606 1 183 . 1 . 1 22 22 GLU C C 13 175.259 0.450 . 1 . . . . A 19 GLU C . 11606 1 184 . 1 . 1 22 22 GLU CA C 13 54.937 0.450 . 1 . . . . A 19 GLU CA . 11606 1 185 . 1 . 1 22 22 GLU CB C 13 31.706 0.450 . 1 . . . . A 19 GLU CB . 11606 1 186 . 1 . 1 22 22 GLU CG C 13 36.139 0.450 . 1 . . . . A 19 GLU CG . 11606 1 187 . 1 . 1 22 22 GLU N N 15 120.349 0.450 . 1 . . . . A 19 GLU N . 11606 1 188 . 1 . 1 23 23 TYR H H 1 8.745 0.040 . 1 . . . . A 20 TYR H . 11606 1 189 . 1 . 1 23 23 TYR HA H 1 4.776 0.040 . 1 . . . . A 20 TYR HA . 11606 1 190 . 1 . 1 23 23 TYR HB2 H 1 3.169 0.040 . 2 . . . . A 20 TYR HB2 . 11606 1 191 . 1 . 1 23 23 TYR HB3 H 1 2.929 0.040 . 2 . . . . A 20 TYR HB3 . 11606 1 192 . 1 . 1 23 23 TYR HD1 H 1 7.027 0.040 . 1 . . . . A 20 TYR HD1 . 11606 1 193 . 1 . 1 23 23 TYR HD2 H 1 7.027 0.040 . 1 . . . . A 20 TYR HD2 . 11606 1 194 . 1 . 1 23 23 TYR HE1 H 1 6.724 0.040 . 1 . . . . A 20 TYR HE1 . 11606 1 195 . 1 . 1 23 23 TYR HE2 H 1 6.724 0.040 . 1 . . . . A 20 TYR HE2 . 11606 1 196 . 1 . 1 23 23 TYR C C 13 175.197 0.450 . 1 . . . . A 20 TYR C . 11606 1 197 . 1 . 1 23 23 TYR CA C 13 56.775 0.450 . 1 . . . . A 20 TYR CA . 11606 1 198 . 1 . 1 23 23 TYR CB C 13 41.867 0.450 . 1 . . . . A 20 TYR CB . 11606 1 199 . 1 . 1 23 23 TYR CD1 C 13 133.337 0.450 . 1 . . . . A 20 TYR CD1 . 11606 1 200 . 1 . 1 23 23 TYR CD2 C 13 133.337 0.450 . 1 . . . . A 20 TYR CD2 . 11606 1 201 . 1 . 1 23 23 TYR CE1 C 13 118.306 0.450 . 1 . . . . A 20 TYR CE1 . 11606 1 202 . 1 . 1 23 23 TYR CE2 C 13 118.306 0.450 . 1 . . . . A 20 TYR CE2 . 11606 1 203 . 1 . 1 23 23 TYR N N 15 121.639 0.450 . 1 . . . . A 20 TYR N . 11606 1 204 . 1 . 1 24 24 VAL H H 1 8.799 0.040 . 1 . . . . A 21 VAL H . 11606 1 205 . 1 . 1 24 24 VAL HA H 1 4.301 0.040 . 1 . . . . A 21 VAL HA . 11606 1 206 . 1 . 1 24 24 VAL HB H 1 2.086 0.040 . 1 . . . . A 21 VAL HB . 11606 1 207 . 1 . 1 24 24 VAL HG11 H 1 1.082 0.040 . 2 . . . . A 21 VAL HG11 . 11606 1 208 . 1 . 1 24 24 VAL HG12 H 1 1.082 0.040 . 2 . . . . A 21 VAL HG12 . 11606 1 209 . 1 . 1 24 24 VAL HG13 H 1 1.082 0.040 . 2 . . . . A 21 VAL HG13 . 11606 1 210 . 1 . 1 24 24 VAL HG21 H 1 1.056 0.040 . 2 . . . . A 21 VAL HG21 . 11606 1 211 . 1 . 1 24 24 VAL HG22 H 1 1.056 0.040 . 2 . . . . A 21 VAL HG22 . 11606 1 212 . 1 . 1 24 24 VAL HG23 H 1 1.056 0.040 . 2 . . . . A 21 VAL HG23 . 11606 1 213 . 1 . 1 24 24 VAL C C 13 176.634 0.450 . 1 . . . . A 21 VAL C . 11606 1 214 . 1 . 1 24 24 VAL CA C 13 63.633 0.450 . 1 . . . . A 21 VAL CA . 11606 1 215 . 1 . 1 24 24 VAL CB C 13 32.485 0.450 . 1 . . . . A 21 VAL CB . 11606 1 216 . 1 . 1 24 24 VAL CG1 C 13 22.888 0.450 . 1 . . . . A 21 VAL CG1 . 11606 1 217 . 1 . 1 24 24 VAL CG2 C 13 22.199 0.450 . 1 . . . . A 21 VAL CG2 . 11606 1 218 . 1 . 1 24 24 VAL N N 15 120.977 0.450 . 1 . . . . A 21 VAL N . 11606 1 219 . 1 . 1 25 25 VAL H H 1 8.804 0.040 . 1 . . . . A 22 VAL H . 11606 1 220 . 1 . 1 25 25 VAL HA H 1 3.743 0.040 . 1 . . . . A 22 VAL HA . 11606 1 221 . 1 . 1 25 25 VAL HB H 1 1.428 0.040 . 1 . . . . A 22 VAL HB . 11606 1 222 . 1 . 1 25 25 VAL HG11 H 1 0.458 0.040 . 2 . . . . A 22 VAL HG11 . 11606 1 223 . 1 . 1 25 25 VAL HG12 H 1 0.458 0.040 . 2 . . . . A 22 VAL HG12 . 11606 1 224 . 1 . 1 25 25 VAL HG13 H 1 0.458 0.040 . 2 . . . . A 22 VAL HG13 . 11606 1 225 . 1 . 1 25 25 VAL HG21 H 1 0.639 0.040 . 2 . . . . A 22 VAL HG21 . 11606 1 226 . 1 . 1 25 25 VAL HG22 H 1 0.639 0.040 . 2 . . . . A 22 VAL HG22 . 11606 1 227 . 1 . 1 25 25 VAL HG23 H 1 0.639 0.040 . 2 . . . . A 22 VAL HG23 . 11606 1 228 . 1 . 1 25 25 VAL C C 13 173.252 0.450 . 1 . . . . A 22 VAL C . 11606 1 229 . 1 . 1 25 25 VAL CA C 13 62.737 0.450 . 1 . . . . A 22 VAL CA . 11606 1 230 . 1 . 1 25 25 VAL CB C 13 33.971 0.450 . 1 . . . . A 22 VAL CB . 11606 1 231 . 1 . 1 25 25 VAL CG1 C 13 22.894 0.450 . 1 . . . . A 22 VAL CG1 . 11606 1 232 . 1 . 1 25 25 VAL CG2 C 13 23.835 0.450 . 1 . . . . A 22 VAL CG2 . 11606 1 233 . 1 . 1 25 25 VAL N N 15 132.194 0.450 . 1 . . . . A 22 VAL N . 11606 1 234 . 1 . 1 26 26 GLU H H 1 9.143 0.040 . 1 . . . . A 23 GLU H . 11606 1 235 . 1 . 1 26 26 GLU HA H 1 4.303 0.040 . 1 . . . . A 23 GLU HA . 11606 1 236 . 1 . 1 26 26 GLU HG2 H 1 2.220 0.040 . 2 . . . . A 23 GLU HG2 . 11606 1 237 . 1 . 1 26 26 GLU HG3 H 1 1.963 0.040 . 2 . . . . A 23 GLU HG3 . 11606 1 238 . 1 . 1 26 26 GLU C C 13 175.636 0.450 . 1 . . . . A 23 GLU C . 11606 1 239 . 1 . 1 26 26 GLU CA C 13 57.297 0.450 . 1 . . . . A 23 GLU CA . 11606 1 240 . 1 . 1 26 26 GLU CB C 13 32.403 0.450 . 1 . . . . A 23 GLU CB . 11606 1 241 . 1 . 1 26 26 GLU CG C 13 36.378 0.450 . 1 . . . . A 23 GLU CG . 11606 1 242 . 1 . 1 26 26 GLU N N 15 126.177 0.450 . 1 . . . . A 23 GLU N . 11606 1 243 . 1 . 1 27 27 LYS H H 1 7.630 0.040 . 1 . . . . A 24 LYS H . 11606 1 244 . 1 . 1 27 27 LYS HA H 1 4.303 0.040 . 1 . . . . A 24 LYS HA . 11606 1 245 . 1 . 1 27 27 LYS HB2 H 1 1.568 0.040 . 2 . . . . A 24 LYS HB2 . 11606 1 246 . 1 . 1 27 27 LYS HB3 H 1 1.568 0.040 . 2 . . . . A 24 LYS HB3 . 11606 1 247 . 1 . 1 27 27 LYS HG2 H 1 1.281 0.040 . 2 . . . . A 24 LYS HG2 . 11606 1 248 . 1 . 1 27 27 LYS HG3 H 1 1.281 0.040 . 2 . . . . A 24 LYS HG3 . 11606 1 249 . 1 . 1 27 27 LYS HD2 H 1 1.641 0.040 . 2 . . . . A 24 LYS HD2 . 11606 1 250 . 1 . 1 27 27 LYS HD3 H 1 1.641 0.040 . 2 . . . . A 24 LYS HD3 . 11606 1 251 . 1 . 1 27 27 LYS HE2 H 1 2.926 0.040 . 2 . . . . A 24 LYS HE2 . 11606 1 252 . 1 . 1 27 27 LYS HE3 H 1 2.926 0.040 . 2 . . . . A 24 LYS HE3 . 11606 1 253 . 1 . 1 27 27 LYS C C 13 172.744 0.450 . 1 . . . . A 24 LYS C . 11606 1 254 . 1 . 1 27 27 LYS CA C 13 56.172 0.450 . 1 . . . . A 24 LYS CA . 11606 1 255 . 1 . 1 27 27 LYS CB C 13 37.370 0.450 . 1 . . . . A 24 LYS CB . 11606 1 256 . 1 . 1 27 27 LYS CG C 13 24.948 0.450 . 1 . . . . A 24 LYS CG . 11606 1 257 . 1 . 1 27 27 LYS CD C 13 29.411 0.450 . 1 . . . . A 24 LYS CD . 11606 1 258 . 1 . 1 27 27 LYS CE C 13 45.082 0.450 . 1 . . . . A 24 LYS CE . 11606 1 259 . 1 . 1 27 27 LYS N N 15 115.464 0.450 . 1 . . . . A 24 LYS N . 11606 1 260 . 1 . 1 28 28 VAL H H 1 8.324 0.040 . 1 . . . . A 25 VAL H . 11606 1 261 . 1 . 1 28 28 VAL HA H 1 3.909 0.040 . 1 . . . . A 25 VAL HA . 11606 1 262 . 1 . 1 28 28 VAL HB H 1 1.565 0.040 . 1 . . . . A 25 VAL HB . 11606 1 263 . 1 . 1 28 28 VAL HG11 H 1 0.168 0.040 . 2 . . . . A 25 VAL HG11 . 11606 1 264 . 1 . 1 28 28 VAL HG12 H 1 0.168 0.040 . 2 . . . . A 25 VAL HG12 . 11606 1 265 . 1 . 1 28 28 VAL HG13 H 1 0.168 0.040 . 2 . . . . A 25 VAL HG13 . 11606 1 266 . 1 . 1 28 28 VAL HG21 H 1 0.339 0.040 . 2 . . . . A 25 VAL HG21 . 11606 1 267 . 1 . 1 28 28 VAL HG22 H 1 0.339 0.040 . 2 . . . . A 25 VAL HG22 . 11606 1 268 . 1 . 1 28 28 VAL HG23 H 1 0.339 0.040 . 2 . . . . A 25 VAL HG23 . 11606 1 269 . 1 . 1 28 28 VAL C C 13 174.853 0.450 . 1 . . . . A 25 VAL C . 11606 1 270 . 1 . 1 28 28 VAL CA C 13 61.879 0.450 . 1 . . . . A 25 VAL CA . 11606 1 271 . 1 . 1 28 28 VAL CB C 13 32.050 0.450 . 1 . . . . A 25 VAL CB . 11606 1 272 . 1 . 1 28 28 VAL CG1 C 13 21.938 0.450 . 1 . . . . A 25 VAL CG1 . 11606 1 273 . 1 . 1 28 28 VAL CG2 C 13 21.142 0.450 . 1 . . . . A 25 VAL CG2 . 11606 1 274 . 1 . 1 28 28 VAL N N 15 123.651 0.450 . 1 . . . . A 25 VAL N . 11606 1 275 . 1 . 1 29 29 LEU H H 1 8.928 0.040 . 1 . . . . A 26 LEU H . 11606 1 276 . 1 . 1 29 29 LEU HA H 1 4.286 0.040 . 1 . . . . A 26 LEU HA . 11606 1 277 . 1 . 1 29 29 LEU HB2 H 1 1.275 0.040 . 2 . . . . A 26 LEU HB2 . 11606 1 278 . 1 . 1 29 29 LEU HB3 H 1 1.073 0.040 . 2 . . . . A 26 LEU HB3 . 11606 1 279 . 1 . 1 29 29 LEU HG H 1 1.220 0.040 . 1 . . . . A 26 LEU HG . 11606 1 280 . 1 . 1 29 29 LEU HD11 H 1 0.668 0.040 . 2 . . . . A 26 LEU HD11 . 11606 1 281 . 1 . 1 29 29 LEU HD12 H 1 0.668 0.040 . 2 . . . . A 26 LEU HD12 . 11606 1 282 . 1 . 1 29 29 LEU HD13 H 1 0.668 0.040 . 2 . . . . A 26 LEU HD13 . 11606 1 283 . 1 . 1 29 29 LEU HD21 H 1 0.586 0.040 . 2 . . . . A 26 LEU HD21 . 11606 1 284 . 1 . 1 29 29 LEU HD22 H 1 0.586 0.040 . 2 . . . . A 26 LEU HD22 . 11606 1 285 . 1 . 1 29 29 LEU HD23 H 1 0.586 0.040 . 2 . . . . A 26 LEU HD23 . 11606 1 286 . 1 . 1 29 29 LEU C C 13 176.644 0.450 . 1 . . . . A 26 LEU C . 11606 1 287 . 1 . 1 29 29 LEU CA C 13 55.681 0.450 . 1 . . . . A 26 LEU CA . 11606 1 288 . 1 . 1 29 29 LEU CB C 13 43.930 0.450 . 1 . . . . A 26 LEU CB . 11606 1 289 . 1 . 1 29 29 LEU CG C 13 26.412 0.450 . 1 . . . . A 26 LEU CG . 11606 1 290 . 1 . 1 29 29 LEU CD1 C 13 22.905 0.450 . 1 . . . . A 26 LEU CD1 . 11606 1 291 . 1 . 1 29 29 LEU CD2 C 13 26.183 0.450 . 1 . . . . A 26 LEU CD2 . 11606 1 292 . 1 . 1 29 29 LEU N N 15 123.876 0.450 . 1 . . . . A 26 LEU N . 11606 1 293 . 1 . 1 30 30 ASP H H 1 7.090 0.040 . 1 . . . . A 27 ASP H . 11606 1 294 . 1 . 1 30 30 ASP HA H 1 4.826 0.040 . 1 . . . . A 27 ASP HA . 11606 1 295 . 1 . 1 30 30 ASP HB2 H 1 2.496 0.040 . 2 . . . . A 27 ASP HB2 . 11606 1 296 . 1 . 1 30 30 ASP HB3 H 1 2.496 0.040 . 2 . . . . A 27 ASP HB3 . 11606 1 297 . 1 . 1 30 30 ASP C C 13 172.779 0.450 . 1 . . . . A 27 ASP C . 11606 1 298 . 1 . 1 30 30 ASP CA C 13 52.803 0.450 . 1 . . . . A 27 ASP CA . 11606 1 299 . 1 . 1 30 30 ASP CB C 13 42.534 0.450 . 1 . . . . A 27 ASP CB . 11606 1 300 . 1 . 1 30 30 ASP N N 15 114.666 0.450 . 1 . . . . A 27 ASP N . 11606 1 301 . 1 . 1 31 31 ARG H H 1 9.481 0.040 . 1 . . . . A 28 ARG H . 11606 1 302 . 1 . 1 31 31 ARG HA H 1 5.213 0.040 . 1 . . . . A 28 ARG HA . 11606 1 303 . 1 . 1 31 31 ARG HB2 H 1 1.386 0.040 . 2 . . . . A 28 ARG HB2 . 11606 1 304 . 1 . 1 31 31 ARG HB3 H 1 1.386 0.040 . 2 . . . . A 28 ARG HB3 . 11606 1 305 . 1 . 1 31 31 ARG HG2 H 1 1.166 0.040 . 2 . . . . A 28 ARG HG2 . 11606 1 306 . 1 . 1 31 31 ARG HG3 H 1 0.810 0.040 . 2 . . . . A 28 ARG HG3 . 11606 1 307 . 1 . 1 31 31 ARG HD2 H 1 2.941 0.040 . 2 . . . . A 28 ARG HD2 . 11606 1 308 . 1 . 1 31 31 ARG HD3 H 1 2.718 0.040 . 2 . . . . A 28 ARG HD3 . 11606 1 309 . 1 . 1 31 31 ARG HE H 1 6.874 0.040 . 1 . . . . A 28 ARG HE . 11606 1 310 . 1 . 1 31 31 ARG C C 13 173.577 0.450 . 1 . . . . A 28 ARG C . 11606 1 311 . 1 . 1 31 31 ARG CA C 13 54.934 0.450 . 1 . . . . A 28 ARG CA . 11606 1 312 . 1 . 1 31 31 ARG CB C 13 35.790 0.450 . 1 . . . . A 28 ARG CB . 11606 1 313 . 1 . 1 31 31 ARG CG C 13 26.978 0.450 . 1 . . . . A 28 ARG CG . 11606 1 314 . 1 . 1 31 31 ARG CD C 13 43.995 0.450 . 1 . . . . A 28 ARG CD . 11606 1 315 . 1 . 1 31 31 ARG CZ C 13 158.967 0.450 . 1 . . . . A 28 ARG CZ . 11606 1 316 . 1 . 1 31 31 ARG N N 15 122.071 0.450 . 1 . . . . A 28 ARG N . 11606 1 317 . 1 . 1 31 31 ARG NE N 15 84.204 0.450 . 1 . . . . A 28 ARG NE . 11606 1 318 . 1 . 1 32 32 ARG H H 1 9.235 0.040 . 1 . . . . A 29 ARG H . 11606 1 319 . 1 . 1 32 32 ARG HB2 H 1 1.514 0.040 . 2 . . . . A 29 ARG HB2 . 11606 1 320 . 1 . 1 32 32 ARG HB3 H 1 1.262 0.040 . 2 . . . . A 29 ARG HB3 . 11606 1 321 . 1 . 1 32 32 ARG HE H 1 6.100 0.040 . 1 . . . . A 29 ARG HE . 11606 1 322 . 1 . 1 32 32 ARG C C 13 171.956 0.450 . 1 . . . . A 29 ARG C . 11606 1 323 . 1 . 1 32 32 ARG CA C 13 54.175 0.450 . 1 . . . . A 29 ARG CA . 11606 1 324 . 1 . 1 32 32 ARG CB C 13 32.579 0.450 . 1 . . . . A 29 ARG CB . 11606 1 325 . 1 . 1 32 32 ARG CG C 13 25.061 0.450 . 1 . . . . A 29 ARG CG . 11606 1 326 . 1 . 1 32 32 ARG CD C 13 42.193 0.450 . 1 . . . . A 29 ARG CD . 11606 1 327 . 1 . 1 32 32 ARG CZ C 13 158.138 0.450 . 1 . . . . A 29 ARG CZ . 11606 1 328 . 1 . 1 32 32 ARG N N 15 123.741 0.450 . 1 . . . . A 29 ARG N . 11606 1 329 . 1 . 1 32 32 ARG NE N 15 83.886 0.450 . 1 . . . . A 29 ARG NE . 11606 1 330 . 1 . 1 33 33 MET H H 1 8.294 0.040 . 1 . . . . A 30 MET H . 11606 1 331 . 1 . 1 33 33 MET HA H 1 5.179 0.040 . 1 . . . . A 30 MET HA . 11606 1 332 . 1 . 1 33 33 MET HB2 H 1 1.811 0.040 . 2 . . . . A 30 MET HB2 . 11606 1 333 . 1 . 1 33 33 MET HB3 H 1 1.710 0.040 . 2 . . . . A 30 MET HB3 . 11606 1 334 . 1 . 1 33 33 MET HG2 H 1 2.230 0.040 . 2 . . . . A 30 MET HG2 . 11606 1 335 . 1 . 1 33 33 MET HG3 H 1 2.230 0.040 . 2 . . . . A 30 MET HG3 . 11606 1 336 . 1 . 1 33 33 MET HE1 H 1 1.860 0.040 . 1 . . . . A 30 MET HE1 . 11606 1 337 . 1 . 1 33 33 MET HE2 H 1 1.860 0.040 . 1 . . . . A 30 MET HE2 . 11606 1 338 . 1 . 1 33 33 MET HE3 H 1 1.860 0.040 . 1 . . . . A 30 MET HE3 . 11606 1 339 . 1 . 1 33 33 MET C C 13 175.866 0.450 . 1 . . . . A 30 MET C . 11606 1 340 . 1 . 1 33 33 MET CA C 13 53.753 0.450 . 1 . . . . A 30 MET CA . 11606 1 341 . 1 . 1 33 33 MET CB C 13 34.119 0.450 . 1 . . . . A 30 MET CB . 11606 1 342 . 1 . 1 33 33 MET CG C 13 31.802 0.450 . 1 . . . . A 30 MET CG . 11606 1 343 . 1 . 1 33 33 MET CE C 13 16.386 0.450 . 1 . . . . A 30 MET CE . 11606 1 344 . 1 . 1 33 33 MET N N 15 118.542 0.450 . 1 . . . . A 30 MET N . 11606 1 345 . 1 . 1 34 34 VAL H H 1 8.841 0.040 . 1 . . . . A 31 VAL H . 11606 1 346 . 1 . 1 34 34 VAL HA H 1 4.057 0.040 . 1 . . . . A 31 VAL HA . 11606 1 347 . 1 . 1 34 34 VAL HB H 1 1.705 0.040 . 1 . . . . A 31 VAL HB . 11606 1 348 . 1 . 1 34 34 VAL HG11 H 1 0.714 0.040 . 2 . . . . A 31 VAL HG11 . 11606 1 349 . 1 . 1 34 34 VAL HG12 H 1 0.714 0.040 . 2 . . . . A 31 VAL HG12 . 11606 1 350 . 1 . 1 34 34 VAL HG13 H 1 0.714 0.040 . 2 . . . . A 31 VAL HG13 . 11606 1 351 . 1 . 1 34 34 VAL HG21 H 1 0.518 0.040 . 2 . . . . A 31 VAL HG21 . 11606 1 352 . 1 . 1 34 34 VAL HG22 H 1 0.518 0.040 . 2 . . . . A 31 VAL HG22 . 11606 1 353 . 1 . 1 34 34 VAL HG23 H 1 0.518 0.040 . 2 . . . . A 31 VAL HG23 . 11606 1 354 . 1 . 1 34 34 VAL C C 13 175.940 0.450 . 1 . . . . A 31 VAL C . 11606 1 355 . 1 . 1 34 34 VAL CA C 13 61.281 0.450 . 1 . . . . A 31 VAL CA . 11606 1 356 . 1 . 1 34 34 VAL CB C 13 34.287 0.450 . 1 . . . . A 31 VAL CB . 11606 1 357 . 1 . 1 34 34 VAL CG1 C 13 20.866 0.450 . 1 . . . . A 31 VAL CG1 . 11606 1 358 . 1 . 1 34 34 VAL CG2 C 13 20.220 0.450 . 1 . . . . A 31 VAL CG2 . 11606 1 359 . 1 . 1 34 34 VAL N N 15 124.723 0.450 . 1 . . . . A 31 VAL N . 11606 1 360 . 1 . 1 35 35 LYS H H 1 9.493 0.040 . 1 . . . . A 32 LYS H . 11606 1 361 . 1 . 1 35 35 LYS HA H 1 3.802 0.040 . 1 . . . . A 32 LYS HA . 11606 1 362 . 1 . 1 35 35 LYS HB2 H 1 1.949 0.040 . 2 . . . . A 32 LYS HB2 . 11606 1 363 . 1 . 1 35 35 LYS HB3 H 1 1.718 0.040 . 2 . . . . A 32 LYS HB3 . 11606 1 364 . 1 . 1 35 35 LYS HG2 H 1 1.364 0.040 . 2 . . . . A 32 LYS HG2 . 11606 1 365 . 1 . 1 35 35 LYS HG3 H 1 1.364 0.040 . 2 . . . . A 32 LYS HG3 . 11606 1 366 . 1 . 1 35 35 LYS HD2 H 1 1.663 0.040 . 2 . . . . A 32 LYS HD2 . 11606 1 367 . 1 . 1 35 35 LYS HD3 H 1 1.663 0.040 . 2 . . . . A 32 LYS HD3 . 11606 1 368 . 1 . 1 35 35 LYS HE2 H 1 2.919 0.040 . 2 . . . . A 32 LYS HE2 . 11606 1 369 . 1 . 1 35 35 LYS HE3 H 1 2.919 0.040 . 2 . . . . A 32 LYS HE3 . 11606 1 370 . 1 . 1 35 35 LYS C C 13 176.542 0.450 . 1 . . . . A 32 LYS C . 11606 1 371 . 1 . 1 35 35 LYS CA C 13 57.057 0.450 . 1 . . . . A 32 LYS CA . 11606 1 372 . 1 . 1 35 35 LYS CB C 13 30.219 0.450 . 1 . . . . A 32 LYS CB . 11606 1 373 . 1 . 1 35 35 LYS CG C 13 25.193 0.450 . 1 . . . . A 32 LYS CG . 11606 1 374 . 1 . 1 35 35 LYS CD C 13 29.391 0.450 . 1 . . . . A 32 LYS CD . 11606 1 375 . 1 . 1 35 35 LYS CE C 13 42.234 0.450 . 1 . . . . A 32 LYS CE . 11606 1 376 . 1 . 1 35 35 LYS N N 15 128.409 0.450 . 1 . . . . A 32 LYS N . 11606 1 377 . 1 . 1 36 36 GLY H H 1 8.474 0.040 . 1 . . . . A 33 GLY H . 11606 1 378 . 1 . 1 36 36 GLY HA2 H 1 3.569 0.040 . 2 . . . . A 33 GLY HA2 . 11606 1 379 . 1 . 1 36 36 GLY HA3 H 1 4.062 0.040 . 2 . . . . A 33 GLY HA3 . 11606 1 380 . 1 . 1 36 36 GLY C C 13 173.417 0.450 . 1 . . . . A 33 GLY C . 11606 1 381 . 1 . 1 36 36 GLY CA C 13 45.481 0.450 . 1 . . . . A 33 GLY CA . 11606 1 382 . 1 . 1 36 36 GLY N N 15 103.901 0.450 . 1 . . . . A 33 GLY N . 11606 1 383 . 1 . 1 37 37 GLN H H 1 7.873 0.040 . 1 . . . . A 34 GLN H . 11606 1 384 . 1 . 1 37 37 GLN HA H 1 4.589 0.040 . 1 . . . . A 34 GLN HA . 11606 1 385 . 1 . 1 37 37 GLN HB2 H 1 2.285 0.040 . 2 . . . . A 34 GLN HB2 . 11606 1 386 . 1 . 1 37 37 GLN HB3 H 1 2.002 0.040 . 2 . . . . A 34 GLN HB3 . 11606 1 387 . 1 . 1 37 37 GLN HG2 H 1 2.292 0.040 . 2 . . . . A 34 GLN HG2 . 11606 1 388 . 1 . 1 37 37 GLN HG3 H 1 2.292 0.040 . 2 . . . . A 34 GLN HG3 . 11606 1 389 . 1 . 1 37 37 GLN HE21 H 1 7.788 0.040 . 2 . . . . A 34 GLN HE21 . 11606 1 390 . 1 . 1 37 37 GLN HE22 H 1 6.952 0.040 . 2 . . . . A 34 GLN HE22 . 11606 1 391 . 1 . 1 37 37 GLN C C 13 174.243 0.450 . 1 . . . . A 34 GLN C . 11606 1 392 . 1 . 1 37 37 GLN CA C 13 53.864 0.450 . 1 . . . . A 34 GLN CA . 11606 1 393 . 1 . 1 37 37 GLN CB C 13 30.822 0.450 . 1 . . . . A 34 GLN CB . 11606 1 394 . 1 . 1 37 37 GLN CG C 13 33.838 0.450 . 1 . . . . A 34 GLN CG . 11606 1 395 . 1 . 1 37 37 GLN CD C 13 180.711 0.450 . 1 . . . . A 34 GLN CD . 11606 1 396 . 1 . 1 37 37 GLN N N 15 120.016 0.450 . 1 . . . . A 34 GLN N . 11606 1 397 . 1 . 1 37 37 GLN NE2 N 15 113.147 0.450 . 1 . . . . A 34 GLN NE2 . 11606 1 398 . 1 . 1 38 38 VAL H H 1 8.705 0.040 . 1 . . . . A 35 VAL H . 11606 1 399 . 1 . 1 38 38 VAL HA H 1 4.294 0.040 . 1 . . . . A 35 VAL HA . 11606 1 400 . 1 . 1 38 38 VAL HB H 1 1.853 0.040 . 1 . . . . A 35 VAL HB . 11606 1 401 . 1 . 1 38 38 VAL HG11 H 1 0.876 0.040 . 2 . . . . A 35 VAL HG11 . 11606 1 402 . 1 . 1 38 38 VAL HG12 H 1 0.876 0.040 . 2 . . . . A 35 VAL HG12 . 11606 1 403 . 1 . 1 38 38 VAL HG13 H 1 0.876 0.040 . 2 . . . . A 35 VAL HG13 . 11606 1 404 . 1 . 1 38 38 VAL HG21 H 1 0.495 0.040 . 2 . . . . A 35 VAL HG21 . 11606 1 405 . 1 . 1 38 38 VAL HG22 H 1 0.495 0.040 . 2 . . . . A 35 VAL HG22 . 11606 1 406 . 1 . 1 38 38 VAL HG23 H 1 0.495 0.040 . 2 . . . . A 35 VAL HG23 . 11606 1 407 . 1 . 1 38 38 VAL C C 13 175.960 0.450 . 1 . . . . A 35 VAL C . 11606 1 408 . 1 . 1 38 38 VAL CA C 13 62.712 0.450 . 1 . . . . A 35 VAL CA . 11606 1 409 . 1 . 1 38 38 VAL CB C 13 32.174 0.450 . 1 . . . . A 35 VAL CB . 11606 1 410 . 1 . 1 38 38 VAL CG1 C 13 22.266 0.450 . 1 . . . . A 35 VAL CG1 . 11606 1 411 . 1 . 1 38 38 VAL CG2 C 13 22.171 0.450 . 1 . . . . A 35 VAL CG2 . 11606 1 412 . 1 . 1 38 38 VAL N N 15 124.945 0.450 . 1 . . . . A 35 VAL N . 11606 1 413 . 1 . 1 39 39 GLU H H 1 8.945 0.040 . 1 . . . . A 36 GLU H . 11606 1 414 . 1 . 1 39 39 GLU HA H 1 5.119 0.040 . 1 . . . . A 36 GLU HA . 11606 1 415 . 1 . 1 39 39 GLU HB2 H 1 1.819 0.040 . 2 . . . . A 36 GLU HB2 . 11606 1 416 . 1 . 1 39 39 GLU HB3 H 1 1.716 0.040 . 2 . . . . A 36 GLU HB3 . 11606 1 417 . 1 . 1 39 39 GLU HG2 H 1 2.157 0.040 . 2 . . . . A 36 GLU HG2 . 11606 1 418 . 1 . 1 39 39 GLU HG3 H 1 2.157 0.040 . 2 . . . . A 36 GLU HG3 . 11606 1 419 . 1 . 1 39 39 GLU C C 13 174.483 0.450 . 1 . . . . A 36 GLU C . 11606 1 420 . 1 . 1 39 39 GLU CA C 13 53.972 0.450 . 1 . . . . A 36 GLU CA . 11606 1 421 . 1 . 1 39 39 GLU CB C 13 35.435 0.450 . 1 . . . . A 36 GLU CB . 11606 1 422 . 1 . 1 39 39 GLU CG C 13 36.372 0.450 . 1 . . . . A 36 GLU CG . 11606 1 423 . 1 . 1 39 39 GLU N N 15 126.166 0.450 . 1 . . . . A 36 GLU N . 11606 1 424 . 1 . 1 40 40 TYR H H 1 9.056 0.040 . 1 . . . . A 37 TYR H . 11606 1 425 . 1 . 1 40 40 TYR HA H 1 5.237 0.040 . 1 . . . . A 37 TYR HA . 11606 1 426 . 1 . 1 40 40 TYR HB2 H 1 2.591 0.040 . 2 . . . . A 37 TYR HB2 . 11606 1 427 . 1 . 1 40 40 TYR HB3 H 1 2.298 0.040 . 2 . . . . A 37 TYR HB3 . 11606 1 428 . 1 . 1 40 40 TYR HD1 H 1 6.707 0.040 . 1 . . . . A 37 TYR HD1 . 11606 1 429 . 1 . 1 40 40 TYR HD2 H 1 6.707 0.040 . 1 . . . . A 37 TYR HD2 . 11606 1 430 . 1 . 1 40 40 TYR HE1 H 1 6.580 0.040 . 1 . . . . A 37 TYR HE1 . 11606 1 431 . 1 . 1 40 40 TYR HE2 H 1 6.580 0.040 . 1 . . . . A 37 TYR HE2 . 11606 1 432 . 1 . 1 40 40 TYR C C 13 173.380 0.450 . 1 . . . . A 37 TYR C . 11606 1 433 . 1 . 1 40 40 TYR CA C 13 56.596 0.450 . 1 . . . . A 37 TYR CA . 11606 1 434 . 1 . 1 40 40 TYR CB C 13 42.735 0.450 . 1 . . . . A 37 TYR CB . 11606 1 435 . 1 . 1 40 40 TYR CD1 C 13 132.904 0.450 . 1 . . . . A 37 TYR CD1 . 11606 1 436 . 1 . 1 40 40 TYR CD2 C 13 132.904 0.450 . 1 . . . . A 37 TYR CD2 . 11606 1 437 . 1 . 1 40 40 TYR CE1 C 13 116.956 0.450 . 1 . . . . A 37 TYR CE1 . 11606 1 438 . 1 . 1 40 40 TYR CE2 C 13 116.956 0.450 . 1 . . . . A 37 TYR CE2 . 11606 1 439 . 1 . 1 40 40 TYR N N 15 117.277 0.450 . 1 . . . . A 37 TYR N . 11606 1 440 . 1 . 1 41 41 LEU H H 1 7.290 0.040 . 1 . . . . A 38 LEU H . 11606 1 441 . 1 . 1 41 41 LEU HA H 1 3.755 0.040 . 1 . . . . A 38 LEU HA . 11606 1 442 . 1 . 1 41 41 LEU HB2 H 1 -1.800 0.040 . 2 . . . . A 38 LEU HB2 . 11606 1 443 . 1 . 1 41 41 LEU HB3 H 1 0.581 0.040 . 2 . . . . A 38 LEU HB3 . 11606 1 444 . 1 . 1 41 41 LEU HG H 1 0.586 0.040 . 1 . . . . A 38 LEU HG . 11606 1 445 . 1 . 1 41 41 LEU HD11 H 1 0.353 0.040 . 2 . . . . A 38 LEU HD11 . 11606 1 446 . 1 . 1 41 41 LEU HD12 H 1 0.353 0.040 . 2 . . . . A 38 LEU HD12 . 11606 1 447 . 1 . 1 41 41 LEU HD13 H 1 0.353 0.040 . 2 . . . . A 38 LEU HD13 . 11606 1 448 . 1 . 1 41 41 LEU HD21 H 1 -0.453 0.040 . 2 . . . . A 38 LEU HD21 . 11606 1 449 . 1 . 1 41 41 LEU HD22 H 1 -0.453 0.040 . 2 . . . . A 38 LEU HD22 . 11606 1 450 . 1 . 1 41 41 LEU HD23 H 1 -0.453 0.040 . 2 . . . . A 38 LEU HD23 . 11606 1 451 . 1 . 1 41 41 LEU C C 13 174.045 0.450 . 1 . . . . A 38 LEU C . 11606 1 452 . 1 . 1 41 41 LEU CA C 13 52.795 0.450 . 1 . . . . A 38 LEU CA . 11606 1 453 . 1 . 1 41 41 LEU CB C 13 40.077 0.450 . 1 . . . . A 38 LEU CB . 11606 1 454 . 1 . 1 41 41 LEU CG C 13 26.800 0.450 . 1 . . . . A 38 LEU CG . 11606 1 455 . 1 . 1 41 41 LEU CD1 C 13 25.391 0.450 . 1 . . . . A 38 LEU CD1 . 11606 1 456 . 1 . 1 41 41 LEU CD2 C 13 19.819 0.450 . 1 . . . . A 38 LEU CD2 . 11606 1 457 . 1 . 1 41 41 LEU N N 15 126.287 0.450 . 1 . . . . A 38 LEU N . 11606 1 458 . 1 . 1 42 42 LEU H H 1 8.682 0.040 . 1 . . . . A 39 LEU H . 11606 1 459 . 1 . 1 42 42 LEU HA H 1 4.302 0.040 . 1 . . . . A 39 LEU HA . 11606 1 460 . 1 . 1 42 42 LEU HB2 H 1 0.837 0.040 . 2 . . . . A 39 LEU HB2 . 11606 1 461 . 1 . 1 42 42 LEU HB3 H 1 -0.076 0.040 . 2 . . . . A 39 LEU HB3 . 11606 1 462 . 1 . 1 42 42 LEU HG H 1 1.370 0.040 . 1 . . . . A 39 LEU HG . 11606 1 463 . 1 . 1 42 42 LEU HD11 H 1 0.140 0.040 . 2 . . . . A 39 LEU HD11 . 11606 1 464 . 1 . 1 42 42 LEU HD12 H 1 0.140 0.040 . 2 . . . . A 39 LEU HD12 . 11606 1 465 . 1 . 1 42 42 LEU HD13 H 1 0.140 0.040 . 2 . . . . A 39 LEU HD13 . 11606 1 466 . 1 . 1 42 42 LEU HD21 H 1 0.254 0.040 . 2 . . . . A 39 LEU HD21 . 11606 1 467 . 1 . 1 42 42 LEU HD22 H 1 0.254 0.040 . 2 . . . . A 39 LEU HD22 . 11606 1 468 . 1 . 1 42 42 LEU HD23 H 1 0.254 0.040 . 2 . . . . A 39 LEU HD23 . 11606 1 469 . 1 . 1 42 42 LEU C C 13 174.210 0.450 . 1 . . . . A 39 LEU C . 11606 1 470 . 1 . 1 42 42 LEU CA C 13 53.492 0.450 . 1 . . . . A 39 LEU CA . 11606 1 471 . 1 . 1 42 42 LEU CB C 13 42.108 0.450 . 1 . . . . A 39 LEU CB . 11606 1 472 . 1 . 1 42 42 LEU CG C 13 26.374 0.450 . 1 . . . . A 39 LEU CG . 11606 1 473 . 1 . 1 42 42 LEU CD1 C 13 25.539 0.450 . 1 . . . . A 39 LEU CD1 . 11606 1 474 . 1 . 1 42 42 LEU CD2 C 13 24.349 0.450 . 1 . . . . A 39 LEU CD2 . 11606 1 475 . 1 . 1 42 42 LEU N N 15 127.785 0.450 . 1 . . . . A 39 LEU N . 11606 1 476 . 1 . 1 43 43 LYS H H 1 7.585 0.040 . 1 . . . . A 40 LYS H . 11606 1 477 . 1 . 1 43 43 LYS HA H 1 4.546 0.040 . 1 . . . . A 40 LYS HA . 11606 1 478 . 1 . 1 43 43 LYS C C 13 175.960 0.450 . 1 . . . . A 40 LYS C . 11606 1 479 . 1 . 1 43 43 LYS CA C 13 53.475 0.450 . 1 . . . . A 40 LYS CA . 11606 1 480 . 1 . 1 43 43 LYS CB C 13 34.349 0.450 . 1 . . . . A 40 LYS CB . 11606 1 481 . 1 . 1 43 43 LYS CG C 13 25.269 0.450 . 1 . . . . A 40 LYS CG . 11606 1 482 . 1 . 1 43 43 LYS CD C 13 29.079 0.450 . 1 . . . . A 40 LYS CD . 11606 1 483 . 1 . 1 43 43 LYS N N 15 118.666 0.450 . 1 . . . . A 40 LYS N . 11606 1 484 . 1 . 1 44 44 TRP H H 1 9.294 0.040 . 1 . . . . A 41 TRP H . 11606 1 485 . 1 . 1 44 44 TRP HA H 1 4.606 0.040 . 1 . . . . A 41 TRP HA . 11606 1 486 . 1 . 1 44 44 TRP HB2 H 1 3.079 0.040 . 2 . . . . A 41 TRP HB2 . 11606 1 487 . 1 . 1 44 44 TRP HB3 H 1 3.146 0.040 . 2 . . . . A 41 TRP HB3 . 11606 1 488 . 1 . 1 44 44 TRP HD1 H 1 7.521 0.040 . 1 . . . . A 41 TRP HD1 . 11606 1 489 . 1 . 1 44 44 TRP HE1 H 1 10.406 0.040 . 1 . . . . A 41 TRP HE1 . 11606 1 490 . 1 . 1 44 44 TRP HE3 H 1 7.364 0.040 . 1 . . . . A 41 TRP HE3 . 11606 1 491 . 1 . 1 44 44 TRP HZ2 H 1 7.528 0.040 . 1 . . . . A 41 TRP HZ2 . 11606 1 492 . 1 . 1 44 44 TRP HZ3 H 1 6.717 0.040 . 1 . . . . A 41 TRP HZ3 . 11606 1 493 . 1 . 1 44 44 TRP HH2 H 1 7.115 0.040 . 1 . . . . A 41 TRP HH2 . 11606 1 494 . 1 . 1 44 44 TRP C C 13 176.697 0.450 . 1 . . . . A 41 TRP C . 11606 1 495 . 1 . 1 44 44 TRP CA C 13 56.155 0.450 . 1 . . . . A 41 TRP CA . 11606 1 496 . 1 . 1 44 44 TRP CB C 13 30.074 0.450 . 1 . . . . A 41 TRP CB . 11606 1 497 . 1 . 1 44 44 TRP CD1 C 13 129.290 0.450 . 1 . . . . A 41 TRP CD1 . 11606 1 498 . 1 . 1 44 44 TRP CE2 C 13 139.029 0.450 . 1 . . . . A 41 TRP CE2 . 11606 1 499 . 1 . 1 44 44 TRP CE3 C 13 119.671 0.450 . 1 . . . . A 41 TRP CE3 . 11606 1 500 . 1 . 1 44 44 TRP CZ2 C 13 115.011 0.450 . 1 . . . . A 41 TRP CZ2 . 11606 1 501 . 1 . 1 44 44 TRP CZ3 C 13 124.745 0.450 . 1 . . . . A 41 TRP CZ3 . 11606 1 502 . 1 . 1 44 44 TRP CH2 C 13 123.469 0.450 . 1 . . . . A 41 TRP CH2 . 11606 1 503 . 1 . 1 44 44 TRP N N 15 132.023 0.450 . 1 . . . . A 41 TRP N . 11606 1 504 . 1 . 1 44 44 TRP NE1 N 15 129.849 0.450 . 1 . . . . A 41 TRP NE1 . 11606 1 505 . 1 . 1 45 45 LYS H H 1 8.455 0.040 . 1 . . . . A 42 LYS H . 11606 1 506 . 1 . 1 45 45 LYS HA H 1 4.278 0.040 . 1 . . . . A 42 LYS HA . 11606 1 507 . 1 . 1 45 45 LYS HB2 H 1 1.917 0.040 . 2 . . . . A 42 LYS HB2 . 11606 1 508 . 1 . 1 45 45 LYS HB3 H 1 1.370 0.040 . 2 . . . . A 42 LYS HB3 . 11606 1 509 . 1 . 1 45 45 LYS C C 13 178.001 0.450 . 1 . . . . A 42 LYS C . 11606 1 510 . 1 . 1 45 45 LYS CA C 13 57.985 0.450 . 1 . . . . A 42 LYS CA . 11606 1 511 . 1 . 1 45 45 LYS CB C 13 33.183 0.450 . 1 . . . . A 42 LYS CB . 11606 1 512 . 1 . 1 45 45 LYS N N 15 125.698 0.450 . 1 . . . . A 42 LYS N . 11606 1 513 . 1 . 1 46 46 GLY H H 1 9.640 0.040 . 1 . . . . A 43 GLY H . 11606 1 514 . 1 . 1 46 46 GLY HA2 H 1 3.575 0.040 . 2 . . . . A 43 GLY HA2 . 11606 1 515 . 1 . 1 46 46 GLY HA3 H 1 4.048 0.040 . 2 . . . . A 43 GLY HA3 . 11606 1 516 . 1 . 1 46 46 GLY C C 13 173.154 0.450 . 1 . . . . A 43 GLY C . 11606 1 517 . 1 . 1 46 46 GLY CA C 13 45.228 0.450 . 1 . . . . A 43 GLY CA . 11606 1 518 . 1 . 1 46 46 GLY N N 15 116.078 0.450 . 1 . . . . A 43 GLY N . 11606 1 519 . 1 . 1 47 47 PHE H H 1 7.702 0.040 . 1 . . . . A 44 PHE H . 11606 1 520 . 1 . 1 47 47 PHE HA H 1 4.669 0.040 . 1 . . . . A 44 PHE HA . 11606 1 521 . 1 . 1 47 47 PHE HB2 H 1 3.259 0.040 . 2 . . . . A 44 PHE HB2 . 11606 1 522 . 1 . 1 47 47 PHE HB3 H 1 2.926 0.040 . 2 . . . . A 44 PHE HB3 . 11606 1 523 . 1 . 1 47 47 PHE HD1 H 1 7.259 0.040 . 1 . . . . A 44 PHE HD1 . 11606 1 524 . 1 . 1 47 47 PHE HD2 H 1 7.259 0.040 . 1 . . . . A 44 PHE HD2 . 11606 1 525 . 1 . 1 47 47 PHE HE1 H 1 6.695 0.040 . 1 . . . . A 44 PHE HE1 . 11606 1 526 . 1 . 1 47 47 PHE HE2 H 1 6.695 0.040 . 1 . . . . A 44 PHE HE2 . 11606 1 527 . 1 . 1 47 47 PHE C C 13 175.007 0.450 . 1 . . . . A 44 PHE C . 11606 1 528 . 1 . 1 47 47 PHE CA C 13 56.450 0.450 . 1 . . . . A 44 PHE CA . 11606 1 529 . 1 . 1 47 47 PHE CB C 13 41.981 0.450 . 1 . . . . A 44 PHE CB . 11606 1 530 . 1 . 1 47 47 PHE CD1 C 13 131.276 0.450 . 1 . . . . A 44 PHE CD1 . 11606 1 531 . 1 . 1 47 47 PHE CD2 C 13 131.276 0.450 . 1 . . . . A 44 PHE CD2 . 11606 1 532 . 1 . 1 47 47 PHE CE1 C 13 131.642 0.450 . 1 . . . . A 44 PHE CE1 . 11606 1 533 . 1 . 1 47 47 PHE CE2 C 13 131.642 0.450 . 1 . . . . A 44 PHE CE2 . 11606 1 534 . 1 . 1 47 47 PHE N N 15 117.668 0.450 . 1 . . . . A 44 PHE N . 11606 1 535 . 1 . 1 48 48 SER H H 1 9.003 0.040 . 1 . . . . A 45 SER H . 11606 1 536 . 1 . 1 48 48 SER HA H 1 4.533 0.040 . 1 . . . . A 45 SER HA . 11606 1 537 . 1 . 1 48 48 SER HB2 H 1 4.383 0.040 . 2 . . . . A 45 SER HB2 . 11606 1 538 . 1 . 1 48 48 SER HB3 H 1 4.068 0.040 . 2 . . . . A 45 SER HB3 . 11606 1 539 . 1 . 1 48 48 SER C C 13 175.324 0.450 . 1 . . . . A 45 SER C . 11606 1 540 . 1 . 1 48 48 SER CA C 13 58.249 0.450 . 1 . . . . A 45 SER CA . 11606 1 541 . 1 . 1 48 48 SER CB C 13 64.146 0.450 . 1 . . . . A 45 SER CB . 11606 1 542 . 1 . 1 48 48 SER N N 15 117.580 0.450 . 1 . . . . A 45 SER N . 11606 1 543 . 1 . 1 49 49 GLU H H 1 9.059 0.040 . 1 . . . . A 46 GLU H . 11606 1 544 . 1 . 1 49 49 GLU HA H 1 4.342 0.040 . 1 . . . . A 46 GLU HA . 11606 1 545 . 1 . 1 49 49 GLU HB2 H 1 2.055 0.040 . 2 . . . . A 46 GLU HB2 . 11606 1 546 . 1 . 1 49 49 GLU HB3 H 1 2.055 0.040 . 2 . . . . A 46 GLU HB3 . 11606 1 547 . 1 . 1 49 49 GLU HG2 H 1 2.346 0.040 . 2 . . . . A 46 GLU HG2 . 11606 1 548 . 1 . 1 49 49 GLU HG3 H 1 2.346 0.040 . 2 . . . . A 46 GLU HG3 . 11606 1 549 . 1 . 1 49 49 GLU C C 13 178.094 0.450 . 1 . . . . A 46 GLU C . 11606 1 550 . 1 . 1 49 49 GLU CA C 13 58.424 0.450 . 1 . . . . A 46 GLU CA . 11606 1 551 . 1 . 1 49 49 GLU CB C 13 29.470 0.450 . 1 . . . . A 46 GLU CB . 11606 1 552 . 1 . 1 49 49 GLU CG C 13 36.662 0.450 . 1 . . . . A 46 GLU CG . 11606 1 553 . 1 . 1 49 49 GLU N N 15 118.812 0.450 . 1 . . . . A 46 GLU N . 11606 1 554 . 1 . 1 50 50 GLU H H 1 8.800 0.040 . 1 . . . . A 47 GLU H . 11606 1 555 . 1 . 1 50 50 GLU HA H 1 4.051 0.040 . 1 . . . . A 47 GLU HA . 11606 1 556 . 1 . 1 50 50 GLU HB2 H 1 1.942 0.040 . 2 . . . . A 47 GLU HB2 . 11606 1 557 . 1 . 1 50 50 GLU HB3 H 1 1.728 0.040 . 2 . . . . A 47 GLU HB3 . 11606 1 558 . 1 . 1 50 50 GLU HG2 H 1 1.998 0.040 . 2 . . . . A 47 GLU HG2 . 11606 1 559 . 1 . 1 50 50 GLU HG3 H 1 1.926 0.040 . 2 . . . . A 47 GLU HG3 . 11606 1 560 . 1 . 1 50 50 GLU C C 13 177.036 0.450 . 1 . . . . A 47 GLU C . 11606 1 561 . 1 . 1 50 50 GLU CA C 13 58.607 0.450 . 1 . . . . A 47 GLU CA . 11606 1 562 . 1 . 1 50 50 GLU CB C 13 28.382 0.450 . 1 . . . . A 47 GLU CB . 11606 1 563 . 1 . 1 50 50 GLU CG C 13 35.956 0.450 . 1 . . . . A 47 GLU CG . 11606 1 564 . 1 . 1 50 50 GLU N N 15 121.341 0.450 . 1 . . . . A 47 GLU N . 11606 1 565 . 1 . 1 51 51 HIS H H 1 8.189 0.040 . 1 . . . . A 48 HIS H . 11606 1 566 . 1 . 1 51 51 HIS HA H 1 4.427 0.040 . 1 . . . . A 48 HIS HA . 11606 1 567 . 1 . 1 51 51 HIS HB2 H 1 3.305 0.040 . 2 . . . . A 48 HIS HB2 . 11606 1 568 . 1 . 1 51 51 HIS HB3 H 1 3.011 0.040 . 2 . . . . A 48 HIS HB3 . 11606 1 569 . 1 . 1 51 51 HIS HD2 H 1 7.427 0.040 . 1 . . . . A 48 HIS HD2 . 11606 1 570 . 1 . 1 51 51 HIS C C 13 173.692 0.450 . 1 . . . . A 48 HIS C . 11606 1 571 . 1 . 1 51 51 HIS CA C 13 55.922 0.450 . 1 . . . . A 48 HIS CA . 11606 1 572 . 1 . 1 51 51 HIS CB C 13 30.780 0.450 . 1 . . . . A 48 HIS CB . 11606 1 573 . 1 . 1 51 51 HIS CD2 C 13 120.532 0.450 . 1 . . . . A 48 HIS CD2 . 11606 1 574 . 1 . 1 51 51 HIS N N 15 117.179 0.450 . 1 . . . . A 48 HIS N . 11606 1 575 . 1 . 1 52 52 ASN H H 1 7.388 0.040 . 1 . . . . A 49 ASN H . 11606 1 576 . 1 . 1 52 52 ASN HA H 1 4.952 0.040 . 1 . . . . A 49 ASN HA . 11606 1 577 . 1 . 1 52 52 ASN HB2 H 1 2.347 0.040 . 2 . . . . A 49 ASN HB2 . 11606 1 578 . 1 . 1 52 52 ASN HB3 H 1 2.588 0.040 . 2 . . . . A 49 ASN HB3 . 11606 1 579 . 1 . 1 52 52 ASN HD21 H 1 6.861 0.040 . 2 . . . . A 49 ASN HD21 . 11606 1 580 . 1 . 1 52 52 ASN HD22 H 1 6.238 0.040 . 2 . . . . A 49 ASN HD22 . 11606 1 581 . 1 . 1 52 52 ASN C C 13 177.068 0.450 . 1 . . . . A 49 ASN C . 11606 1 582 . 1 . 1 52 52 ASN CA C 13 54.405 0.450 . 1 . . . . A 49 ASN CA . 11606 1 583 . 1 . 1 52 52 ASN CB C 13 37.288 0.450 . 1 . . . . A 49 ASN CB . 11606 1 584 . 1 . 1 52 52 ASN CG C 13 174.308 0.450 . 1 . . . . A 49 ASN CG . 11606 1 585 . 1 . 1 52 52 ASN N N 15 119.572 0.450 . 1 . . . . A 49 ASN N . 11606 1 586 . 1 . 1 52 52 ASN ND2 N 15 106.431 0.450 . 1 . . . . A 49 ASN ND2 . 11606 1 587 . 1 . 1 53 53 THR H H 1 7.716 0.040 . 1 . . . . A 50 THR H . 11606 1 588 . 1 . 1 53 53 THR HA H 1 4.764 0.040 . 1 . . . . A 50 THR HA . 11606 1 589 . 1 . 1 53 53 THR HB H 1 4.299 0.040 . 1 . . . . A 50 THR HB . 11606 1 590 . 1 . 1 53 53 THR HG21 H 1 1.265 0.040 . 1 . . . . A 50 THR HG21 . 11606 1 591 . 1 . 1 53 53 THR HG22 H 1 1.265 0.040 . 1 . . . . A 50 THR HG22 . 11606 1 592 . 1 . 1 53 53 THR HG23 H 1 1.265 0.040 . 1 . . . . A 50 THR HG23 . 11606 1 593 . 1 . 1 53 53 THR C C 13 173.172 0.450 . 1 . . . . A 50 THR C . 11606 1 594 . 1 . 1 53 53 THR CA C 13 59.412 0.450 . 1 . . . . A 50 THR CA . 11606 1 595 . 1 . 1 53 53 THR CB C 13 71.795 0.450 . 1 . . . . A 50 THR CB . 11606 1 596 . 1 . 1 53 53 THR CG2 C 13 24.132 0.450 . 1 . . . . A 50 THR CG2 . 11606 1 597 . 1 . 1 53 53 THR N N 15 111.278 0.450 . 1 . . . . A 50 THR N . 11606 1 598 . 1 . 1 54 54 TRP H H 1 8.400 0.040 . 1 . . . . A 51 TRP H . 11606 1 599 . 1 . 1 54 54 TRP HA H 1 4.979 0.040 . 1 . . . . A 51 TRP HA . 11606 1 600 . 1 . 1 54 54 TRP HB2 H 1 2.894 0.040 . 2 . . . . A 51 TRP HB2 . 11606 1 601 . 1 . 1 54 54 TRP HB3 H 1 2.307 0.040 . 2 . . . . A 51 TRP HB3 . 11606 1 602 . 1 . 1 54 54 TRP HD1 H 1 7.146 0.040 . 1 . . . . A 51 TRP HD1 . 11606 1 603 . 1 . 1 54 54 TRP HE1 H 1 10.014 0.040 . 1 . . . . A 51 TRP HE1 . 11606 1 604 . 1 . 1 54 54 TRP HE3 H 1 6.874 0.040 . 1 . . . . A 51 TRP HE3 . 11606 1 605 . 1 . 1 54 54 TRP HZ2 H 1 7.406 0.040 . 1 . . . . A 51 TRP HZ2 . 11606 1 606 . 1 . 1 54 54 TRP HZ3 H 1 6.793 0.040 . 1 . . . . A 51 TRP HZ3 . 11606 1 607 . 1 . 1 54 54 TRP HH2 H 1 6.525 0.040 . 1 . . . . A 51 TRP HH2 . 11606 1 608 . 1 . 1 54 54 TRP C C 13 177.252 0.450 . 1 . . . . A 51 TRP C . 11606 1 609 . 1 . 1 54 54 TRP CA C 13 55.839 0.450 . 1 . . . . A 51 TRP CA . 11606 1 610 . 1 . 1 54 54 TRP CB C 13 29.882 0.450 . 1 . . . . A 51 TRP CB . 11606 1 611 . 1 . 1 54 54 TRP CD1 C 13 127.400 0.450 . 1 . . . . A 51 TRP CD1 . 11606 1 612 . 1 . 1 54 54 TRP CE2 C 13 139.051 0.450 . 1 . . . . A 51 TRP CE2 . 11606 1 613 . 1 . 1 54 54 TRP CE3 C 13 119.813 0.450 . 1 . . . . A 51 TRP CE3 . 11606 1 614 . 1 . 1 54 54 TRP CZ2 C 13 114.925 0.450 . 1 . . . . A 51 TRP CZ2 . 11606 1 615 . 1 . 1 54 54 TRP CZ3 C 13 122.641 0.450 . 1 . . . . A 51 TRP CZ3 . 11606 1 616 . 1 . 1 54 54 TRP CH2 C 13 121.238 0.450 . 1 . . . . A 51 TRP CH2 . 11606 1 617 . 1 . 1 54 54 TRP N N 15 122.046 0.450 . 1 . . . . A 51 TRP N . 11606 1 618 . 1 . 1 54 54 TRP NE1 N 15 129.458 0.450 . 1 . . . . A 51 TRP NE1 . 11606 1 619 . 1 . 1 55 55 GLU H H 1 9.483 0.040 . 1 . . . . A 52 GLU H . 11606 1 620 . 1 . 1 55 55 GLU HA H 1 5.516 0.040 . 1 . . . . A 52 GLU HA . 11606 1 621 . 1 . 1 55 55 GLU HB2 H 1 2.166 0.040 . 2 . . . . A 52 GLU HB2 . 11606 1 622 . 1 . 1 55 55 GLU HB3 H 1 1.551 0.040 . 2 . . . . A 52 GLU HB3 . 11606 1 623 . 1 . 1 55 55 GLU HG2 H 1 2.515 0.040 . 2 . . . . A 52 GLU HG2 . 11606 1 624 . 1 . 1 55 55 GLU HG3 H 1 2.385 0.040 . 2 . . . . A 52 GLU HG3 . 11606 1 625 . 1 . 1 55 55 GLU C C 13 174.309 0.450 . 1 . . . . A 52 GLU C . 11606 1 626 . 1 . 1 55 55 GLU CA C 13 51.505 0.450 . 1 . . . . A 52 GLU CA . 11606 1 627 . 1 . 1 55 55 GLU CB C 13 31.703 0.450 . 1 . . . . A 52 GLU CB . 11606 1 628 . 1 . 1 55 55 GLU CG C 13 34.628 0.450 . 1 . . . . A 52 GLU CG . 11606 1 629 . 1 . 1 55 55 GLU N N 15 122.655 0.450 . 1 . . . . A 52 GLU N . 11606 1 630 . 1 . 1 56 56 PRO HA H 1 4.913 0.040 . 1 . . . . A 53 PRO HA . 11606 1 631 . 1 . 1 56 56 PRO HB2 H 1 2.439 0.040 . 2 . . . . A 53 PRO HB2 . 11606 1 632 . 1 . 1 56 56 PRO HB3 H 1 2.072 0.040 . 2 . . . . A 53 PRO HB3 . 11606 1 633 . 1 . 1 56 56 PRO HG2 H 1 2.097 0.040 . 2 . . . . A 53 PRO HG2 . 11606 1 634 . 1 . 1 56 56 PRO HG3 H 1 1.951 0.040 . 2 . . . . A 53 PRO HG3 . 11606 1 635 . 1 . 1 56 56 PRO HD2 H 1 4.147 0.040 . 2 . . . . A 53 PRO HD2 . 11606 1 636 . 1 . 1 56 56 PRO HD3 H 1 3.907 0.040 . 2 . . . . A 53 PRO HD3 . 11606 1 637 . 1 . 1 56 56 PRO C C 13 177.840 0.450 . 1 . . . . A 53 PRO C . 11606 1 638 . 1 . 1 56 56 PRO CA C 13 62.120 0.450 . 1 . . . . A 53 PRO CA . 11606 1 639 . 1 . 1 56 56 PRO CB C 13 32.575 0.450 . 1 . . . . A 53 PRO CB . 11606 1 640 . 1 . 1 56 56 PRO CG C 13 27.279 0.450 . 1 . . . . A 53 PRO CG . 11606 1 641 . 1 . 1 56 56 PRO CD C 13 50.829 0.450 . 1 . . . . A 53 PRO CD . 11606 1 642 . 1 . 1 57 57 GLU H H 1 8.392 0.040 . 1 . . . . A 54 GLU H . 11606 1 643 . 1 . 1 57 57 GLU HA H 1 4.062 0.040 . 1 . . . . A 54 GLU HA . 11606 1 644 . 1 . 1 57 57 GLU HB2 H 1 2.265 0.040 . 2 . . . . A 54 GLU HB2 . 11606 1 645 . 1 . 1 57 57 GLU HB3 H 1 2.180 0.040 . 2 . . . . A 54 GLU HB3 . 11606 1 646 . 1 . 1 57 57 GLU HG2 H 1 2.289 0.040 . 2 . . . . A 54 GLU HG2 . 11606 1 647 . 1 . 1 57 57 GLU HG3 H 1 2.289 0.040 . 2 . . . . A 54 GLU HG3 . 11606 1 648 . 1 . 1 57 57 GLU C C 13 178.037 0.450 . 1 . . . . A 54 GLU C . 11606 1 649 . 1 . 1 57 57 GLU CA C 13 60.544 0.450 . 1 . . . . A 54 GLU CA . 11606 1 650 . 1 . 1 57 57 GLU CB C 13 30.371 0.450 . 1 . . . . A 54 GLU CB . 11606 1 651 . 1 . 1 57 57 GLU CG C 13 36.707 0.450 . 1 . . . . A 54 GLU CG . 11606 1 652 . 1 . 1 57 57 GLU N N 15 121.517 0.450 . 1 . . . . A 54 GLU N . 11606 1 653 . 1 . 1 58 58 LYS H H 1 8.580 0.040 . 1 . . . . A 55 LYS H . 11606 1 654 . 1 . 1 58 58 LYS HA H 1 4.311 0.040 . 1 . . . . A 55 LYS HA . 11606 1 655 . 1 . 1 58 58 LYS HB2 H 1 1.936 0.040 . 2 . . . . A 55 LYS HB2 . 11606 1 656 . 1 . 1 58 58 LYS HB3 H 1 1.390 0.040 . 2 . . . . A 55 LYS HB3 . 11606 1 657 . 1 . 1 58 58 LYS HG2 H 1 1.416 0.040 . 2 . . . . A 55 LYS HG2 . 11606 1 658 . 1 . 1 58 58 LYS HG3 H 1 1.416 0.040 . 2 . . . . A 55 LYS HG3 . 11606 1 659 . 1 . 1 58 58 LYS HD2 H 1 1.649 0.040 . 2 . . . . A 55 LYS HD2 . 11606 1 660 . 1 . 1 58 58 LYS HD3 H 1 1.649 0.040 . 2 . . . . A 55 LYS HD3 . 11606 1 661 . 1 . 1 58 58 LYS HE2 H 1 2.938 0.040 . 2 . . . . A 55 LYS HE2 . 11606 1 662 . 1 . 1 58 58 LYS HE3 H 1 2.938 0.040 . 2 . . . . A 55 LYS HE3 . 11606 1 663 . 1 . 1 58 58 LYS C C 13 176.452 0.450 . 1 . . . . A 55 LYS C . 11606 1 664 . 1 . 1 58 58 LYS CA C 13 58.093 0.450 . 1 . . . . A 55 LYS CA . 11606 1 665 . 1 . 1 58 58 LYS CB C 13 31.611 0.450 . 1 . . . . A 55 LYS CB . 11606 1 666 . 1 . 1 58 58 LYS CG C 13 24.896 0.450 . 1 . . . . A 55 LYS CG . 11606 1 667 . 1 . 1 58 58 LYS CD C 13 28.837 0.450 . 1 . . . . A 55 LYS CD . 11606 1 668 . 1 . 1 58 58 LYS CE C 13 41.859 0.450 . 1 . . . . A 55 LYS CE . 11606 1 669 . 1 . 1 58 58 LYS N N 15 116.243 0.450 . 1 . . . . A 55 LYS N . 11606 1 670 . 1 . 1 59 59 ASN H H 1 8.268 0.040 . 1 . . . . A 56 ASN H . 11606 1 671 . 1 . 1 59 59 ASN HA H 1 4.669 0.040 . 1 . . . . A 56 ASN HA . 11606 1 672 . 1 . 1 59 59 ASN HB2 H 1 3.643 0.040 . 2 . . . . A 56 ASN HB2 . 11606 1 673 . 1 . 1 59 59 ASN HB3 H 1 3.157 0.040 . 2 . . . . A 56 ASN HB3 . 11606 1 674 . 1 . 1 59 59 ASN HD21 H 1 7.369 0.040 . 2 . . . . A 56 ASN HD21 . 11606 1 675 . 1 . 1 59 59 ASN HD22 H 1 6.994 0.040 . 2 . . . . A 56 ASN HD22 . 11606 1 676 . 1 . 1 59 59 ASN C C 13 175.908 0.450 . 1 . . . . A 56 ASN C . 11606 1 677 . 1 . 1 59 59 ASN CA C 13 53.214 0.450 . 1 . . . . A 56 ASN CA . 11606 1 678 . 1 . 1 59 59 ASN CB C 13 37.738 0.450 . 1 . . . . A 56 ASN CB . 11606 1 679 . 1 . 1 59 59 ASN CG C 13 176.707 0.450 . 1 . . . . A 56 ASN CG . 11606 1 680 . 1 . 1 59 59 ASN N N 15 119.180 0.450 . 1 . . . . A 56 ASN N . 11606 1 681 . 1 . 1 59 59 ASN ND2 N 15 110.203 0.450 . 1 . . . . A 56 ASN ND2 . 11606 1 682 . 1 . 1 60 60 LEU H H 1 7.819 0.040 . 1 . . . . A 57 LEU H . 11606 1 683 . 1 . 1 60 60 LEU HA H 1 4.302 0.040 . 1 . . . . A 57 LEU HA . 11606 1 684 . 1 . 1 60 60 LEU HB2 H 1 1.922 0.040 . 2 . . . . A 57 LEU HB2 . 11606 1 685 . 1 . 1 60 60 LEU HB3 H 1 1.722 0.040 . 2 . . . . A 57 LEU HB3 . 11606 1 686 . 1 . 1 60 60 LEU HG H 1 1.397 0.040 . 1 . . . . A 57 LEU HG . 11606 1 687 . 1 . 1 60 60 LEU HD11 H 1 0.823 0.040 . 2 . . . . A 57 LEU HD11 . 11606 1 688 . 1 . 1 60 60 LEU HD12 H 1 0.823 0.040 . 2 . . . . A 57 LEU HD12 . 11606 1 689 . 1 . 1 60 60 LEU HD13 H 1 0.823 0.040 . 2 . . . . A 57 LEU HD13 . 11606 1 690 . 1 . 1 60 60 LEU HD21 H 1 0.522 0.040 . 2 . . . . A 57 LEU HD21 . 11606 1 691 . 1 . 1 60 60 LEU HD22 H 1 0.522 0.040 . 2 . . . . A 57 LEU HD22 . 11606 1 692 . 1 . 1 60 60 LEU HD23 H 1 0.522 0.040 . 2 . . . . A 57 LEU HD23 . 11606 1 693 . 1 . 1 60 60 LEU C C 13 175.606 0.450 . 1 . . . . A 57 LEU C . 11606 1 694 . 1 . 1 60 60 LEU CA C 13 57.307 0.450 . 1 . . . . A 57 LEU CA . 11606 1 695 . 1 . 1 60 60 LEU CB C 13 41.993 0.450 . 1 . . . . A 57 LEU CB . 11606 1 696 . 1 . 1 60 60 LEU CD1 C 13 26.155 0.450 . 1 . . . . A 57 LEU CD1 . 11606 1 697 . 1 . 1 60 60 LEU CD2 C 13 26.469 0.450 . 1 . . . . A 57 LEU CD2 . 11606 1 698 . 1 . 1 60 60 LEU N N 15 122.531 0.450 . 1 . . . . A 57 LEU N . 11606 1 699 . 1 . 1 61 61 ASP H H 1 8.865 0.040 . 1 . . . . A 58 ASP H . 11606 1 700 . 1 . 1 61 61 ASP HA H 1 4.978 0.040 . 1 . . . . A 58 ASP HA . 11606 1 701 . 1 . 1 61 61 ASP HB2 H 1 2.895 0.040 . 2 . . . . A 58 ASP HB2 . 11606 1 702 . 1 . 1 61 61 ASP HB3 H 1 2.319 0.040 . 2 . . . . A 58 ASP HB3 . 11606 1 703 . 1 . 1 61 61 ASP C C 13 174.660 0.450 . 1 . . . . A 58 ASP C . 11606 1 704 . 1 . 1 61 61 ASP CA C 13 53.367 0.450 . 1 . . . . A 58 ASP CA . 11606 1 705 . 1 . 1 61 61 ASP CB C 13 40.537 0.450 . 1 . . . . A 58 ASP CB . 11606 1 706 . 1 . 1 61 61 ASP N N 15 125.330 0.450 . 1 . . . . A 58 ASP N . 11606 1 707 . 1 . 1 62 62 CYS H H 1 7.947 0.040 . 1 . . . . A 59 CYS H . 11606 1 708 . 1 . 1 62 62 CYS HA H 1 5.180 0.040 . 1 . . . . A 59 CYS HA . 11606 1 709 . 1 . 1 62 62 CYS HB2 H 1 3.010 0.040 . 2 . . . . A 59 CYS HB2 . 11606 1 710 . 1 . 1 62 62 CYS HB3 H 1 2.411 0.040 . 2 . . . . A 59 CYS HB3 . 11606 1 711 . 1 . 1 62 62 CYS C C 13 172.932 0.450 . 1 . . . . A 59 CYS C . 11606 1 712 . 1 . 1 62 62 CYS CA C 13 53.771 0.450 . 1 . . . . A 59 CYS CA . 11606 1 713 . 1 . 1 62 62 CYS CB C 13 28.937 0.450 . 1 . . . . A 59 CYS CB . 11606 1 714 . 1 . 1 62 62 CYS N N 15 113.873 0.450 . 1 . . . . A 59 CYS N . 11606 1 715 . 1 . 1 63 63 PRO HA H 1 4.162 0.040 . 1 . . . . A 60 PRO HA . 11606 1 716 . 1 . 1 63 63 PRO HB2 H 1 2.245 0.040 . 2 . . . . A 60 PRO HB2 . 11606 1 717 . 1 . 1 63 63 PRO HB3 H 1 2.034 0.040 . 2 . . . . A 60 PRO HB3 . 11606 1 718 . 1 . 1 63 63 PRO HG2 H 1 2.256 0.040 . 2 . . . . A 60 PRO HG2 . 11606 1 719 . 1 . 1 63 63 PRO HG3 H 1 2.106 0.040 . 2 . . . . A 60 PRO HG3 . 11606 1 720 . 1 . 1 63 63 PRO HD2 H 1 3.667 0.040 . 2 . . . . A 60 PRO HD2 . 11606 1 721 . 1 . 1 63 63 PRO HD3 H 1 3.572 0.040 . 2 . . . . A 60 PRO HD3 . 11606 1 722 . 1 . 1 63 63 PRO C C 13 179.924 0.450 . 1 . . . . A 60 PRO C . 11606 1 723 . 1 . 1 63 63 PRO CA C 13 65.384 0.450 . 1 . . . . A 60 PRO CA . 11606 1 724 . 1 . 1 63 63 PRO CB C 13 31.340 0.450 . 1 . . . . A 60 PRO CB . 11606 1 725 . 1 . 1 63 63 PRO CG C 13 26.508 0.450 . 1 . . . . A 60 PRO CG . 11606 1 726 . 1 . 1 63 63 PRO CD C 13 50.690 0.450 . 1 . . . . A 60 PRO CD . 11606 1 727 . 1 . 1 64 64 GLU H H 1 8.322 0.040 . 1 . . . . A 61 GLU H . 11606 1 728 . 1 . 1 64 64 GLU HA H 1 4.154 0.040 . 1 . . . . A 61 GLU HA . 11606 1 729 . 1 . 1 64 64 GLU HB2 H 1 1.912 0.040 . 2 . . . . A 61 GLU HB2 . 11606 1 730 . 1 . 1 64 64 GLU HB3 H 1 1.912 0.040 . 2 . . . . A 61 GLU HB3 . 11606 1 731 . 1 . 1 64 64 GLU HG2 H 1 2.280 0.040 . 2 . . . . A 61 GLU HG2 . 11606 1 732 . 1 . 1 64 64 GLU HG3 H 1 2.280 0.040 . 2 . . . . A 61 GLU HG3 . 11606 1 733 . 1 . 1 64 64 GLU C C 13 179.314 0.450 . 1 . . . . A 61 GLU C . 11606 1 734 . 1 . 1 64 64 GLU CA C 13 59.596 0.450 . 1 . . . . A 61 GLU CA . 11606 1 735 . 1 . 1 64 64 GLU CB C 13 28.780 0.450 . 1 . . . . A 61 GLU CB . 11606 1 736 . 1 . 1 64 64 GLU CG C 13 36.736 0.450 . 1 . . . . A 61 GLU CG . 11606 1 737 . 1 . 1 64 64 GLU N N 15 119.454 0.450 . 1 . . . . A 61 GLU N . 11606 1 738 . 1 . 1 65 65 LEU H H 1 7.209 0.040 . 1 . . . . A 62 LEU H . 11606 1 739 . 1 . 1 65 65 LEU HA H 1 4.142 0.040 . 1 . . . . A 62 LEU HA . 11606 1 740 . 1 . 1 65 65 LEU HB2 H 1 1.406 0.040 . 2 . . . . A 62 LEU HB2 . 11606 1 741 . 1 . 1 65 65 LEU HB3 H 1 1.687 0.040 . 2 . . . . A 62 LEU HB3 . 11606 1 742 . 1 . 1 65 65 LEU HG H 1 1.735 0.040 . 1 . . . . A 62 LEU HG . 11606 1 743 . 1 . 1 65 65 LEU HD11 H 1 0.797 0.040 . 2 . . . . A 62 LEU HD11 . 11606 1 744 . 1 . 1 65 65 LEU HD12 H 1 0.797 0.040 . 2 . . . . A 62 LEU HD12 . 11606 1 745 . 1 . 1 65 65 LEU HD13 H 1 0.797 0.040 . 2 . . . . A 62 LEU HD13 . 11606 1 746 . 1 . 1 65 65 LEU HD21 H 1 0.625 0.040 . 2 . . . . A 62 LEU HD21 . 11606 1 747 . 1 . 1 65 65 LEU HD22 H 1 0.625 0.040 . 2 . . . . A 62 LEU HD22 . 11606 1 748 . 1 . 1 65 65 LEU HD23 H 1 0.625 0.040 . 2 . . . . A 62 LEU HD23 . 11606 1 749 . 1 . 1 65 65 LEU C C 13 181.281 0.450 . 1 . . . . A 62 LEU C . 11606 1 750 . 1 . 1 65 65 LEU CA C 13 56.951 0.450 . 1 . . . . A 62 LEU CA . 11606 1 751 . 1 . 1 65 65 LEU CB C 13 41.292 0.450 . 1 . . . . A 62 LEU CB . 11606 1 752 . 1 . 1 65 65 LEU CG C 13 26.422 0.450 . 1 . . . . A 62 LEU CG . 11606 1 753 . 1 . 1 65 65 LEU CD1 C 13 21.785 0.450 . 1 . . . . A 62 LEU CD1 . 11606 1 754 . 1 . 1 65 65 LEU CD2 C 13 27.206 0.450 . 1 . . . . A 62 LEU CD2 . 11606 1 755 . 1 . 1 65 65 LEU N N 15 118.115 0.450 . 1 . . . . A 62 LEU N . 11606 1 756 . 1 . 1 66 66 ILE H H 1 7.852 0.040 . 1 . . . . A 63 ILE H . 11606 1 757 . 1 . 1 66 66 ILE HA H 1 3.464 0.040 . 1 . . . . A 63 ILE HA . 11606 1 758 . 1 . 1 66 66 ILE HB H 1 1.772 0.040 . 1 . . . . A 63 ILE HB . 11606 1 759 . 1 . 1 66 66 ILE HG12 H 1 1.301 0.040 . 2 . . . . A 63 ILE HG12 . 11606 1 760 . 1 . 1 66 66 ILE HG13 H 1 0.360 0.040 . 2 . . . . A 63 ILE HG13 . 11606 1 761 . 1 . 1 66 66 ILE HG21 H 1 0.796 0.040 . 1 . . . . A 63 ILE HG21 . 11606 1 762 . 1 . 1 66 66 ILE HG22 H 1 0.796 0.040 . 1 . . . . A 63 ILE HG22 . 11606 1 763 . 1 . 1 66 66 ILE HG23 H 1 0.796 0.040 . 1 . . . . A 63 ILE HG23 . 11606 1 764 . 1 . 1 66 66 ILE HD11 H 1 0.301 0.040 . 1 . . . . A 63 ILE HD11 . 11606 1 765 . 1 . 1 66 66 ILE HD12 H 1 0.301 0.040 . 1 . . . . A 63 ILE HD12 . 11606 1 766 . 1 . 1 66 66 ILE HD13 H 1 0.301 0.040 . 1 . . . . A 63 ILE HD13 . 11606 1 767 . 1 . 1 66 66 ILE C C 13 177.439 0.450 . 1 . . . . A 63 ILE C . 11606 1 768 . 1 . 1 66 66 ILE CA C 13 64.987 0.450 . 1 . . . . A 63 ILE CA . 11606 1 769 . 1 . 1 66 66 ILE CB C 13 37.549 0.450 . 1 . . . . A 63 ILE CB . 11606 1 770 . 1 . 1 66 66 ILE CG1 C 13 28.185 0.450 . 1 . . . . A 63 ILE CG1 . 11606 1 771 . 1 . 1 66 66 ILE CG2 C 13 17.093 0.450 . 1 . . . . A 63 ILE CG2 . 11606 1 772 . 1 . 1 66 66 ILE CD1 C 13 12.256 0.450 . 1 . . . . A 63 ILE CD1 . 11606 1 773 . 1 . 1 66 66 ILE N N 15 121.211 0.450 . 1 . . . . A 63 ILE N . 11606 1 774 . 1 . 1 67 67 SER H H 1 8.121 0.040 . 1 . . . . A 64 SER H . 11606 1 775 . 1 . 1 67 67 SER HA H 1 4.145 0.040 . 1 . . . . A 64 SER HA . 11606 1 776 . 1 . 1 67 67 SER HB2 H 1 3.969 0.040 . 2 . . . . A 64 SER HB2 . 11606 1 777 . 1 . 1 67 67 SER HB3 H 1 3.969 0.040 . 2 . . . . A 64 SER HB3 . 11606 1 778 . 1 . 1 67 67 SER C C 13 177.406 0.450 . 1 . . . . A 64 SER C . 11606 1 779 . 1 . 1 67 67 SER CA C 13 61.806 0.450 . 1 . . . . A 64 SER CA . 11606 1 780 . 1 . 1 67 67 SER CB C 13 62.290 0.450 . 1 . . . . A 64 SER CB . 11606 1 781 . 1 . 1 67 67 SER N N 15 115.422 0.450 . 1 . . . . A 64 SER N . 11606 1 782 . 1 . 1 68 68 GLU H H 1 7.824 0.040 . 1 . . . . A 65 GLU H . 11606 1 783 . 1 . 1 68 68 GLU HA H 1 4.015 0.040 . 1 . . . . A 65 GLU HA . 11606 1 784 . 1 . 1 68 68 GLU HB2 H 1 2.109 0.040 . 2 . . . . A 65 GLU HB2 . 11606 1 785 . 1 . 1 68 68 GLU HB3 H 1 2.109 0.040 . 2 . . . . A 65 GLU HB3 . 11606 1 786 . 1 . 1 68 68 GLU HG2 H 1 2.400 0.040 . 2 . . . . A 65 GLU HG2 . 11606 1 787 . 1 . 1 68 68 GLU HG3 H 1 2.321 0.040 . 2 . . . . A 65 GLU HG3 . 11606 1 788 . 1 . 1 68 68 GLU C C 13 178.761 0.450 . 1 . . . . A 65 GLU C . 11606 1 789 . 1 . 1 68 68 GLU CA C 13 59.423 0.450 . 1 . . . . A 65 GLU CA . 11606 1 790 . 1 . 1 68 68 GLU CB C 13 29.756 0.450 . 1 . . . . A 65 GLU CB . 11606 1 791 . 1 . 1 68 68 GLU CG C 13 36.139 0.450 . 1 . . . . A 65 GLU CG . 11606 1 792 . 1 . 1 68 68 GLU N N 15 120.006 0.450 . 1 . . . . A 65 GLU N . 11606 1 793 . 1 . 1 69 69 PHE H H 1 7.722 0.040 . 1 . . . . A 66 PHE H . 11606 1 794 . 1 . 1 69 69 PHE HA H 1 4.279 0.040 . 1 . . . . A 66 PHE HA . 11606 1 795 . 1 . 1 69 69 PHE HB2 H 1 3.324 0.040 . 2 . . . . A 66 PHE HB2 . 11606 1 796 . 1 . 1 69 69 PHE HB3 H 1 3.104 0.040 . 2 . . . . A 66 PHE HB3 . 11606 1 797 . 1 . 1 69 69 PHE HD1 H 1 7.140 0.040 . 1 . . . . A 66 PHE HD1 . 11606 1 798 . 1 . 1 69 69 PHE HD2 H 1 7.140 0.040 . 1 . . . . A 66 PHE HD2 . 11606 1 799 . 1 . 1 69 69 PHE HE1 H 1 7.046 0.040 . 1 . . . . A 66 PHE HE1 . 11606 1 800 . 1 . 1 69 69 PHE HE2 H 1 7.046 0.040 . 1 . . . . A 66 PHE HE2 . 11606 1 801 . 1 . 1 69 69 PHE C C 13 177.616 0.450 . 1 . . . . A 66 PHE C . 11606 1 802 . 1 . 1 69 69 PHE CA C 13 61.355 0.450 . 1 . . . . A 66 PHE CA . 11606 1 803 . 1 . 1 69 69 PHE CB C 13 39.071 0.450 . 1 . . . . A 66 PHE CB . 11606 1 804 . 1 . 1 69 69 PHE CD1 C 13 131.708 0.450 . 1 . . . . A 66 PHE CD1 . 11606 1 805 . 1 . 1 69 69 PHE CD2 C 13 131.708 0.450 . 1 . . . . A 66 PHE CD2 . 11606 1 806 . 1 . 1 69 69 PHE CE1 C 13 130.684 0.450 . 1 . . . . A 66 PHE CE1 . 11606 1 807 . 1 . 1 69 69 PHE CE2 C 13 130.684 0.450 . 1 . . . . A 66 PHE CE2 . 11606 1 808 . 1 . 1 69 69 PHE N N 15 120.726 0.450 . 1 . . . . A 66 PHE N . 11606 1 809 . 1 . 1 70 70 MET H H 1 8.847 0.040 . 1 . . . . A 67 MET H . 11606 1 810 . 1 . 1 70 70 MET HA H 1 4.288 0.040 . 1 . . . . A 67 MET HA . 11606 1 811 . 1 . 1 70 70 MET HB2 H 1 2.266 0.040 . 2 . . . . A 67 MET HB2 . 11606 1 812 . 1 . 1 70 70 MET HB3 H 1 2.073 0.040 . 2 . . . . A 67 MET HB3 . 11606 1 813 . 1 . 1 70 70 MET HG2 H 1 2.898 0.040 . 2 . . . . A 67 MET HG2 . 11606 1 814 . 1 . 1 70 70 MET HG3 H 1 2.898 0.040 . 2 . . . . A 67 MET HG3 . 11606 1 815 . 1 . 1 70 70 MET HE1 H 1 2.070 0.040 . 1 . . . . A 67 MET HE1 . 11606 1 816 . 1 . 1 70 70 MET HE2 H 1 2.070 0.040 . 1 . . . . A 67 MET HE2 . 11606 1 817 . 1 . 1 70 70 MET HE3 H 1 2.070 0.040 . 1 . . . . A 67 MET HE3 . 11606 1 818 . 1 . 1 70 70 MET C C 13 179.036 0.450 . 1 . . . . A 67 MET C . 11606 1 819 . 1 . 1 70 70 MET CA C 13 56.223 0.450 . 1 . . . . A 67 MET CA . 11606 1 820 . 1 . 1 70 70 MET CB C 13 30.316 0.450 . 1 . . . . A 67 MET CB . 11606 1 821 . 1 . 1 70 70 MET CG C 13 32.738 0.450 . 1 . . . . A 67 MET CG . 11606 1 822 . 1 . 1 70 70 MET CE C 13 16.022 0.450 . 1 . . . . A 67 MET CE . 11606 1 823 . 1 . 1 70 70 MET N N 15 117.708 0.450 . 1 . . . . A 67 MET N . 11606 1 824 . 1 . 1 71 71 LYS H H 1 7.774 0.040 . 1 . . . . A 68 LYS H . 11606 1 825 . 1 . 1 71 71 LYS HA H 1 4.010 0.040 . 1 . . . . A 68 LYS HA . 11606 1 826 . 1 . 1 71 71 LYS HB2 H 1 2.114 0.040 . 2 . . . . A 68 LYS HB2 . 11606 1 827 . 1 . 1 71 71 LYS HB3 H 1 1.864 0.040 . 2 . . . . A 68 LYS HB3 . 11606 1 828 . 1 . 1 71 71 LYS HG2 H 1 1.648 0.040 . 2 . . . . A 68 LYS HG2 . 11606 1 829 . 1 . 1 71 71 LYS HG3 H 1 1.411 0.040 . 2 . . . . A 68 LYS HG3 . 11606 1 830 . 1 . 1 71 71 LYS HD2 H 1 1.652 0.040 . 2 . . . . A 68 LYS HD2 . 11606 1 831 . 1 . 1 71 71 LYS HD3 H 1 1.652 0.040 . 2 . . . . A 68 LYS HD3 . 11606 1 832 . 1 . 1 71 71 LYS HE2 H 1 2.917 0.040 . 2 . . . . A 68 LYS HE2 . 11606 1 833 . 1 . 1 71 71 LYS HE3 H 1 2.917 0.040 . 2 . . . . A 68 LYS HE3 . 11606 1 834 . 1 . 1 71 71 LYS C C 13 178.532 0.450 . 1 . . . . A 68 LYS C . 11606 1 835 . 1 . 1 71 71 LYS CA C 13 59.308 0.450 . 1 . . . . A 68 LYS CA . 11606 1 836 . 1 . 1 71 71 LYS CB C 13 32.482 0.450 . 1 . . . . A 68 LYS CB . 11606 1 837 . 1 . 1 71 71 LYS CG C 13 25.408 0.450 . 1 . . . . A 68 LYS CG . 11606 1 838 . 1 . 1 71 71 LYS CD C 13 29.118 0.450 . 1 . . . . A 68 LYS CD . 11606 1 839 . 1 . 1 71 71 LYS CE C 13 42.263 0.450 . 1 . . . . A 68 LYS CE . 11606 1 840 . 1 . 1 71 71 LYS N N 15 119.533 0.450 . 1 . . . . A 68 LYS N . 11606 1 841 . 1 . 1 72 72 LYS H H 1 7.177 0.040 . 1 . . . . A 69 LYS H . 11606 1 842 . 1 . 1 72 72 LYS HA H 1 4.109 0.040 . 1 . . . . A 69 LYS HA . 11606 1 843 . 1 . 1 72 72 LYS HB2 H 1 1.749 0.040 . 2 . . . . A 69 LYS HB2 . 11606 1 844 . 1 . 1 72 72 LYS HB3 H 1 1.749 0.040 . 2 . . . . A 69 LYS HB3 . 11606 1 845 . 1 . 1 72 72 LYS HG2 H 1 1.386 0.040 . 2 . . . . A 69 LYS HG2 . 11606 1 846 . 1 . 1 72 72 LYS HG3 H 1 1.386 0.040 . 2 . . . . A 69 LYS HG3 . 11606 1 847 . 1 . 1 72 72 LYS HD2 H 1 1.603 0.040 . 2 . . . . A 69 LYS HD2 . 11606 1 848 . 1 . 1 72 72 LYS HD3 H 1 1.603 0.040 . 2 . . . . A 69 LYS HD3 . 11606 1 849 . 1 . 1 72 72 LYS HE2 H 1 2.923 0.040 . 2 . . . . A 69 LYS HE2 . 11606 1 850 . 1 . 1 72 72 LYS HE3 H 1 2.923 0.040 . 2 . . . . A 69 LYS HE3 . 11606 1 851 . 1 . 1 72 72 LYS C C 13 177.511 0.450 . 1 . . . . A 69 LYS C . 11606 1 852 . 1 . 1 72 72 LYS CA C 13 57.675 0.450 . 1 . . . . A 69 LYS CA . 11606 1 853 . 1 . 1 72 72 LYS CB C 13 32.548 0.450 . 1 . . . . A 69 LYS CB . 11606 1 854 . 1 . 1 72 72 LYS CG C 13 24.807 0.450 . 1 . . . . A 69 LYS CG . 11606 1 855 . 1 . 1 72 72 LYS CD C 13 29.386 0.450 . 1 . . . . A 69 LYS CD . 11606 1 856 . 1 . 1 72 72 LYS CE C 13 42.240 0.450 . 1 . . . . A 69 LYS CE . 11606 1 857 . 1 . 1 72 72 LYS N N 15 117.816 0.450 . 1 . . . . A 69 LYS N . 11606 1 858 . 1 . 1 73 73 TYR H H 1 7.983 0.040 . 1 . . . . A 70 TYR H . 11606 1 859 . 1 . 1 73 73 TYR HA H 1 4.084 0.040 . 1 . . . . A 70 TYR HA . 11606 1 860 . 1 . 1 73 73 TYR HB2 H 1 2.766 0.040 . 2 . . . . A 70 TYR HB2 . 11606 1 861 . 1 . 1 73 73 TYR HB3 H 1 2.365 0.040 . 2 . . . . A 70 TYR HB3 . 11606 1 862 . 1 . 1 73 73 TYR HD1 H 1 7.104 0.040 . 1 . . . . A 70 TYR HD1 . 11606 1 863 . 1 . 1 73 73 TYR HD2 H 1 7.104 0.040 . 1 . . . . A 70 TYR HD2 . 11606 1 864 . 1 . 1 73 73 TYR HE1 H 1 6.942 0.040 . 1 . . . . A 70 TYR HE1 . 11606 1 865 . 1 . 1 73 73 TYR HE2 H 1 6.942 0.040 . 1 . . . . A 70 TYR HE2 . 11606 1 866 . 1 . 1 73 73 TYR C C 13 176.557 0.450 . 1 . . . . A 70 TYR C . 11606 1 867 . 1 . 1 73 73 TYR CA C 13 59.782 0.450 . 1 . . . . A 70 TYR CA . 11606 1 868 . 1 . 1 73 73 TYR CB C 13 39.149 0.450 . 1 . . . . A 70 TYR CB . 11606 1 869 . 1 . 1 73 73 TYR CD1 C 13 133.382 0.450 . 1 . . . . A 70 TYR CD1 . 11606 1 870 . 1 . 1 73 73 TYR CD2 C 13 133.382 0.450 . 1 . . . . A 70 TYR CD2 . 11606 1 871 . 1 . 1 73 73 TYR CE1 C 13 117.815 0.450 . 1 . . . . A 70 TYR CE1 . 11606 1 872 . 1 . 1 73 73 TYR CE2 C 13 117.815 0.450 . 1 . . . . A 70 TYR CE2 . 11606 1 873 . 1 . 1 73 73 TYR N N 15 121.690 0.450 . 1 . . . . A 70 TYR N . 11606 1 874 . 1 . 1 74 74 LYS H H 1 8.022 0.040 . 1 . . . . A 71 LYS H . 11606 1 875 . 1 . 1 74 74 LYS HA H 1 3.967 0.040 . 1 . . . . A 71 LYS HA . 11606 1 876 . 1 . 1 74 74 LYS HB2 H 1 1.753 0.040 . 2 . . . . A 71 LYS HB2 . 11606 1 877 . 1 . 1 74 74 LYS HB3 H 1 1.753 0.040 . 2 . . . . A 71 LYS HB3 . 11606 1 878 . 1 . 1 74 74 LYS HG2 H 1 1.433 0.040 . 2 . . . . A 71 LYS HG2 . 11606 1 879 . 1 . 1 74 74 LYS HG3 H 1 1.278 0.040 . 2 . . . . A 71 LYS HG3 . 11606 1 880 . 1 . 1 74 74 LYS HD2 H 1 1.706 0.040 . 2 . . . . A 71 LYS HD2 . 11606 1 881 . 1 . 1 74 74 LYS HD3 H 1 1.706 0.040 . 2 . . . . A 71 LYS HD3 . 11606 1 882 . 1 . 1 74 74 LYS HE2 H 1 2.949 0.040 . 2 . . . . A 71 LYS HE2 . 11606 1 883 . 1 . 1 74 74 LYS HE3 H 1 2.949 0.040 . 2 . . . . A 71 LYS HE3 . 11606 1 884 . 1 . 1 74 74 LYS C C 13 177.066 0.450 . 1 . . . . A 71 LYS C . 11606 1 885 . 1 . 1 74 74 LYS CA C 13 57.428 0.450 . 1 . . . . A 71 LYS CA . 11606 1 886 . 1 . 1 74 74 LYS CB C 13 32.424 0.450 . 1 . . . . A 71 LYS CB . 11606 1 887 . 1 . 1 74 74 LYS CG C 13 24.882 0.450 . 1 . . . . A 71 LYS CG . 11606 1 888 . 1 . 1 74 74 LYS CD C 13 29.283 0.450 . 1 . . . . A 71 LYS CD . 11606 1 889 . 1 . 1 74 74 LYS CE C 13 41.936 0.450 . 1 . . . . A 71 LYS CE . 11606 1 890 . 1 . 1 74 74 LYS N N 15 120.104 0.450 . 1 . . . . A 71 LYS N . 11606 1 891 . 1 . 1 75 75 LYS H H 1 7.538 0.040 . 1 . . . . A 72 LYS H . 11606 1 892 . 1 . 1 75 75 LYS HA H 1 4.126 0.040 . 1 . . . . A 72 LYS HA . 11606 1 893 . 1 . 1 75 75 LYS HB2 H 1 1.776 0.040 . 2 . . . . A 72 LYS HB2 . 11606 1 894 . 1 . 1 75 75 LYS HB3 H 1 1.776 0.040 . 2 . . . . A 72 LYS HB3 . 11606 1 895 . 1 . 1 75 75 LYS HG2 H 1 1.412 0.040 . 2 . . . . A 72 LYS HG2 . 11606 1 896 . 1 . 1 75 75 LYS HG3 H 1 1.412 0.040 . 2 . . . . A 72 LYS HG3 . 11606 1 897 . 1 . 1 75 75 LYS HD2 H 1 1.700 0.040 . 2 . . . . A 72 LYS HD2 . 11606 1 898 . 1 . 1 75 75 LYS HD3 H 1 1.700 0.040 . 2 . . . . A 72 LYS HD3 . 11606 1 899 . 1 . 1 75 75 LYS HE2 H 1 2.939 0.040 . 2 . . . . A 72 LYS HE2 . 11606 1 900 . 1 . 1 75 75 LYS HE3 H 1 2.621 0.040 . 2 . . . . A 72 LYS HE3 . 11606 1 901 . 1 . 1 75 75 LYS C C 13 177.573 0.450 . 1 . . . . A 72 LYS C . 11606 1 902 . 1 . 1 75 75 LYS CA C 13 57.211 0.450 . 1 . . . . A 72 LYS CA . 11606 1 903 . 1 . 1 75 75 LYS CB C 13 32.501 0.450 . 1 . . . . A 72 LYS CB . 11606 1 904 . 1 . 1 75 75 LYS CG C 13 24.745 0.450 . 1 . . . . A 72 LYS CG . 11606 1 905 . 1 . 1 75 75 LYS CD C 13 28.927 0.450 . 1 . . . . A 72 LYS CD . 11606 1 906 . 1 . 1 75 75 LYS CE C 13 42.200 0.450 . 1 . . . . A 72 LYS CE . 11606 1 907 . 1 . 1 75 75 LYS N N 15 119.799 0.450 . 1 . . . . A 72 LYS N . 11606 1 908 . 1 . 1 76 76 MET H H 1 8.063 0.040 . 1 . . . . A 73 MET H . 11606 1 909 . 1 . 1 76 76 MET HA H 1 4.283 0.040 . 1 . . . . A 73 MET HA . 11606 1 910 . 1 . 1 76 76 MET HB2 H 1 2.069 0.040 . 2 . . . . A 73 MET HB2 . 11606 1 911 . 1 . 1 76 76 MET HB3 H 1 2.003 0.040 . 2 . . . . A 73 MET HB3 . 11606 1 912 . 1 . 1 76 76 MET HG2 H 1 2.603 0.040 . 2 . . . . A 73 MET HG2 . 11606 1 913 . 1 . 1 76 76 MET HG3 H 1 2.502 0.040 . 2 . . . . A 73 MET HG3 . 11606 1 914 . 1 . 1 76 76 MET HE1 H 1 2.058 0.040 . 1 . . . . A 73 MET HE1 . 11606 1 915 . 1 . 1 76 76 MET HE2 H 1 2.058 0.040 . 1 . . . . A 73 MET HE2 . 11606 1 916 . 1 . 1 76 76 MET HE3 H 1 2.058 0.040 . 1 . . . . A 73 MET HE3 . 11606 1 917 . 1 . 1 76 76 MET C C 13 177.073 0.450 . 1 . . . . A 73 MET C . 11606 1 918 . 1 . 1 76 76 MET CA C 13 56.645 0.450 . 1 . . . . A 73 MET CA . 11606 1 919 . 1 . 1 76 76 MET CB C 13 32.664 0.450 . 1 . . . . A 73 MET CB . 11606 1 920 . 1 . 1 76 76 MET CG C 13 31.841 0.450 . 1 . . . . A 73 MET CG . 11606 1 921 . 1 . 1 76 76 MET CE C 13 16.878 0.450 . 1 . . . . A 73 MET CE . 11606 1 922 . 1 . 1 76 76 MET N N 15 120.425 0.450 . 1 . . . . A 73 MET N . 11606 1 923 . 1 . 1 77 77 LYS H H 1 8.148 0.040 . 1 . . . . A 74 LYS H . 11606 1 924 . 1 . 1 77 77 LYS HA H 1 4.170 0.040 . 1 . . . . A 74 LYS HA . 11606 1 925 . 1 . 1 77 77 LYS HB2 H 1 1.708 0.040 . 2 . . . . A 74 LYS HB2 . 11606 1 926 . 1 . 1 77 77 LYS HB3 H 1 1.708 0.040 . 2 . . . . A 74 LYS HB3 . 11606 1 927 . 1 . 1 77 77 LYS HG2 H 1 1.285 0.040 . 2 . . . . A 74 LYS HG2 . 11606 1 928 . 1 . 1 77 77 LYS HG3 H 1 1.285 0.040 . 2 . . . . A 74 LYS HG3 . 11606 1 929 . 1 . 1 77 77 LYS HD2 H 1 1.583 0.040 . 2 . . . . A 74 LYS HD2 . 11606 1 930 . 1 . 1 77 77 LYS HD3 H 1 1.583 0.040 . 2 . . . . A 74 LYS HD3 . 11606 1 931 . 1 . 1 77 77 LYS HE2 H 1 2.920 0.040 . 2 . . . . A 74 LYS HE2 . 11606 1 932 . 1 . 1 77 77 LYS HE3 H 1 2.920 0.040 . 2 . . . . A 74 LYS HE3 . 11606 1 933 . 1 . 1 77 77 LYS C C 13 177.116 0.450 . 1 . . . . A 74 LYS C . 11606 1 934 . 1 . 1 77 77 LYS CA C 13 56.366 0.450 . 1 . . . . A 74 LYS CA . 11606 1 935 . 1 . 1 77 77 LYS CB C 13 32.538 0.450 . 1 . . . . A 74 LYS CB . 11606 1 936 . 1 . 1 77 77 LYS CG C 13 24.255 0.450 . 1 . . . . A 74 LYS CG . 11606 1 937 . 1 . 1 77 77 LYS CD C 13 28.580 0.450 . 1 . . . . A 74 LYS CD . 11606 1 938 . 1 . 1 77 77 LYS CE C 13 41.627 0.450 . 1 . . . . A 74 LYS CE . 11606 1 939 . 1 . 1 77 77 LYS N N 15 120.988 0.450 . 1 . . . . A 74 LYS N . 11606 1 940 . 1 . 1 78 78 GLU H H 1 8.227 0.040 . 1 . . . . A 75 GLU H . 11606 1 941 . 1 . 1 78 78 GLU HA H 1 4.177 0.040 . 1 . . . . A 75 GLU HA . 11606 1 942 . 1 . 1 78 78 GLU HB2 H 1 2.014 0.040 . 2 . . . . A 75 GLU HB2 . 11606 1 943 . 1 . 1 78 78 GLU HB3 H 1 2.014 0.040 . 2 . . . . A 75 GLU HB3 . 11606 1 944 . 1 . 1 78 78 GLU HG2 H 1 2.257 0.040 . 2 . . . . A 75 GLU HG2 . 11606 1 945 . 1 . 1 78 78 GLU HG3 H 1 2.257 0.040 . 2 . . . . A 75 GLU HG3 . 11606 1 946 . 1 . 1 78 78 GLU C C 13 177.330 0.450 . 1 . . . . A 75 GLU C . 11606 1 947 . 1 . 1 78 78 GLU CA C 13 57.249 0.450 . 1 . . . . A 75 GLU CA . 11606 1 948 . 1 . 1 78 78 GLU CB C 13 29.925 0.450 . 1 . . . . A 75 GLU CB . 11606 1 949 . 1 . 1 78 78 GLU CG C 13 36.396 0.450 . 1 . . . . A 75 GLU CG . 11606 1 950 . 1 . 1 78 78 GLU N N 15 121.331 0.450 . 1 . . . . A 75 GLU N . 11606 1 951 . 1 . 1 79 79 GLY H H 1 8.256 0.040 . 1 . . . . A 76 GLY H . 11606 1 952 . 1 . 1 79 79 GLY HA2 H 1 3.933 0.040 . 2 . . . . A 76 GLY HA2 . 11606 1 953 . 1 . 1 79 79 GLY HA3 H 1 3.933 0.040 . 2 . . . . A 76 GLY HA3 . 11606 1 954 . 1 . 1 79 79 GLY C C 13 174.413 0.450 . 1 . . . . A 76 GLY C . 11606 1 955 . 1 . 1 79 79 GLY CA C 13 45.352 0.450 . 1 . . . . A 76 GLY CA . 11606 1 956 . 1 . 1 79 79 GLY N N 15 109.228 0.450 . 1 . . . . A 76 GLY N . 11606 1 957 . 1 . 1 80 80 GLU H H 1 8.077 0.040 . 1 . . . . A 77 GLU H . 11606 1 958 . 1 . 1 80 80 GLU HA H 1 4.233 0.040 . 1 . . . . A 77 GLU HA . 11606 1 959 . 1 . 1 80 80 GLU HB2 H 1 2.033 0.040 . 2 . . . . A 77 GLU HB2 . 11606 1 960 . 1 . 1 80 80 GLU HB3 H 1 1.917 0.040 . 2 . . . . A 77 GLU HB3 . 11606 1 961 . 1 . 1 80 80 GLU HG2 H 1 2.202 0.040 . 2 . . . . A 77 GLU HG2 . 11606 1 962 . 1 . 1 80 80 GLU HG3 H 1 2.202 0.040 . 2 . . . . A 77 GLU HG3 . 11606 1 963 . 1 . 1 80 80 GLU C C 13 176.343 0.450 . 1 . . . . A 77 GLU C . 11606 1 964 . 1 . 1 80 80 GLU CA C 13 56.666 0.450 . 1 . . . . A 77 GLU CA . 11606 1 965 . 1 . 1 80 80 GLU CB C 13 30.223 0.450 . 1 . . . . A 77 GLU CB . 11606 1 966 . 1 . 1 80 80 GLU CG C 13 36.377 0.450 . 1 . . . . A 77 GLU CG . 11606 1 967 . 1 . 1 80 80 GLU N N 15 120.150 0.450 . 1 . . . . A 77 GLU N . 11606 1 968 . 1 . 1 81 81 ASN H H 1 8.421 0.040 . 1 . . . . A 78 ASN H . 11606 1 969 . 1 . 1 81 81 ASN HA H 1 4.680 0.040 . 1 . . . . A 78 ASN HA . 11606 1 970 . 1 . 1 81 81 ASN HB2 H 1 2.816 0.040 . 2 . . . . A 78 ASN HB2 . 11606 1 971 . 1 . 1 81 81 ASN HB3 H 1 2.720 0.040 . 2 . . . . A 78 ASN HB3 . 11606 1 972 . 1 . 1 81 81 ASN HD21 H 1 7.576 0.040 . 2 . . . . A 78 ASN HD21 . 11606 1 973 . 1 . 1 81 81 ASN HD22 H 1 6.904 0.040 . 2 . . . . A 78 ASN HD22 . 11606 1 974 . 1 . 1 81 81 ASN C C 13 174.795 0.450 . 1 . . . . A 78 ASN C . 11606 1 975 . 1 . 1 81 81 ASN CA C 13 53.253 0.450 . 1 . . . . A 78 ASN CA . 11606 1 976 . 1 . 1 81 81 ASN CB C 13 38.786 0.450 . 1 . . . . A 78 ASN CB . 11606 1 977 . 1 . 1 81 81 ASN CG C 13 177.196 0.450 . 1 . . . . A 78 ASN CG . 11606 1 978 . 1 . 1 81 81 ASN N N 15 118.775 0.450 . 1 . . . . A 78 ASN N . 11606 1 979 . 1 . 1 81 81 ASN ND2 N 15 113.147 0.450 . 1 . . . . A 78 ASN ND2 . 11606 1 980 . 1 . 1 82 82 ASN H H 1 8.291 0.040 . 1 . . . . A 79 ASN H . 11606 1 981 . 1 . 1 82 82 ASN HA H 1 4.693 0.040 . 1 . . . . A 79 ASN HA . 11606 1 982 . 1 . 1 82 82 ASN HB2 H 1 2.808 0.040 . 2 . . . . A 79 ASN HB2 . 11606 1 983 . 1 . 1 82 82 ASN HB3 H 1 2.703 0.040 . 2 . . . . A 79 ASN HB3 . 11606 1 984 . 1 . 1 82 82 ASN HD21 H 1 7.567 0.040 . 2 . . . . A 79 ASN HD21 . 11606 1 985 . 1 . 1 82 82 ASN HD22 H 1 6.884 0.040 . 2 . . . . A 79 ASN HD22 . 11606 1 986 . 1 . 1 82 82 ASN C C 13 174.112 0.450 . 1 . . . . A 79 ASN C . 11606 1 987 . 1 . 1 82 82 ASN CA C 13 53.206 0.450 . 1 . . . . A 79 ASN CA . 11606 1 988 . 1 . 1 82 82 ASN CB C 13 38.718 0.450 . 1 . . . . A 79 ASN CB . 11606 1 989 . 1 . 1 82 82 ASN CG C 13 177.288 0.450 . 1 . . . . A 79 ASN CG . 11606 1 990 . 1 . 1 82 82 ASN N N 15 119.281 0.450 . 1 . . . . A 79 ASN N . 11606 1 991 . 1 . 1 82 82 ASN ND2 N 15 112.991 0.450 . 1 . . . . A 79 ASN ND2 . 11606 1 992 . 1 . 1 83 83 LYS H H 1 7.820 0.040 . 1 . . . . A 80 LYS H . 11606 1 993 . 1 . 1 83 83 LYS HA H 1 4.117 0.040 . 1 . . . . A 80 LYS HA . 11606 1 994 . 1 . 1 83 83 LYS HB2 H 1 1.795 0.040 . 2 . . . . A 80 LYS HB2 . 11606 1 995 . 1 . 1 83 83 LYS HB3 H 1 1.681 0.040 . 2 . . . . A 80 LYS HB3 . 11606 1 996 . 1 . 1 83 83 LYS HG2 H 1 1.357 0.040 . 2 . . . . A 80 LYS HG2 . 11606 1 997 . 1 . 1 83 83 LYS HG3 H 1 1.357 0.040 . 2 . . . . A 80 LYS HG3 . 11606 1 998 . 1 . 1 83 83 LYS HD2 H 1 1.635 0.040 . 2 . . . . A 80 LYS HD2 . 11606 1 999 . 1 . 1 83 83 LYS HD3 H 1 1.635 0.040 . 2 . . . . A 80 LYS HD3 . 11606 1 1000 . 1 . 1 83 83 LYS HE2 H 1 2.960 0.040 . 2 . . . . A 80 LYS HE2 . 11606 1 1001 . 1 . 1 83 83 LYS HE3 H 1 2.960 0.040 . 2 . . . . A 80 LYS HE3 . 11606 1 1002 . 1 . 1 83 83 LYS C C 13 181.278 0.450 . 1 . . . . A 80 LYS C . 11606 1 1003 . 1 . 1 83 83 LYS CA C 13 57.593 0.450 . 1 . . . . A 80 LYS CA . 11606 1 1004 . 1 . 1 83 83 LYS CB C 13 33.565 0.450 . 1 . . . . A 80 LYS CB . 11606 1 1005 . 1 . 1 83 83 LYS CG C 13 24.668 0.450 . 1 . . . . A 80 LYS CG . 11606 1 1006 . 1 . 1 83 83 LYS CD C 13 28.964 0.450 . 1 . . . . A 80 LYS CD . 11606 1 1007 . 1 . 1 83 83 LYS CE C 13 41.981 0.450 . 1 . . . . A 80 LYS CE . 11606 1 1008 . 1 . 1 83 83 LYS N N 15 126.207 0.450 . 1 . . . . A 80 LYS N . 11606 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_2 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_2 _Assigned_chem_shift_list.Entry_ID 11606 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 4 '2D 1H-1H TOCSY' 1 $sample_1 isotropic 11606 2 5 '2D 1H-1H NOESY' 1 $sample_1 isotropic 11606 2 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 . 2 . 2 1 1 ALA HA H 1 4.294 0.040 . 1 . . . . B 1 ALA HA . 11606 2 2 . 2 . 2 1 1 ALA HB1 H 1 1.302 0.040 . 1 . . . . B 1 ALA HB1 . 11606 2 3 . 2 . 2 1 1 ALA HB2 H 1 1.302 0.040 . 1 . . . . B 1 ALA HB2 . 11606 2 4 . 2 . 2 1 1 ALA HB3 H 1 1.302 0.040 . 1 . . . . B 1 ALA HB3 . 11606 2 5 . 2 . 2 1 1 ALA H H 1 8.134 0.040 . 1 . . . . B 1 ALA H1 . 11606 2 6 . 2 . 2 3 3 THR H H 1 8.447 0.040 . 1 . . . . B 3 THR H . 11606 2 7 . 2 . 2 3 3 THR HA H 1 4.404 0.040 . 1 . . . . B 3 THR HA . 11606 2 8 . 2 . 2 3 3 THR HB H 1 4.296 0.040 . 1 . . . . B 3 THR HB . 11606 2 9 . 2 . 2 3 3 THR HG21 H 1 1.211 0.040 . 1 . . . . B 3 THR HG21 . 11606 2 10 . 2 . 2 3 3 THR HG22 H 1 1.211 0.040 . 1 . . . . B 3 THR HG22 . 11606 2 11 . 2 . 2 3 3 THR HG23 H 1 1.211 0.040 . 1 . . . . B 3 THR HG23 . 11606 2 12 . 2 . 2 4 4 LYS H H 1 8.185 0.040 . 1 . . . . B 4 LYS H . 11606 2 13 . 2 . 2 4 4 LYS HA H 1 4.311 0.040 . 1 . . . . B 4 LYS HA . 11606 2 14 . 2 . 2 4 4 LYS HB2 H 1 1.676 0.040 . 2 . . . . B 4 LYS HB2 . 11606 2 15 . 2 . 2 4 4 LYS HB3 H 1 1.676 0.040 . 2 . . . . B 4 LYS HB3 . 11606 2 16 . 2 . 2 4 4 LYS HG2 H 1 1.391 0.040 . 2 . . . . B 4 LYS HG2 . 11606 2 17 . 2 . 2 4 4 LYS HG3 H 1 1.391 0.040 . 2 . . . . B 4 LYS HG3 . 11606 2 18 . 2 . 2 4 4 LYS HD2 H 1 1.635 0.040 . 2 . . . . B 4 LYS HD2 . 11606 2 19 . 2 . 2 4 4 LYS HD3 H 1 1.635 0.040 . 2 . . . . B 4 LYS HD3 . 11606 2 20 . 2 . 2 4 4 LYS HE2 H 1 2.910 0.040 . 2 . . . . B 4 LYS HE2 . 11606 2 21 . 2 . 2 4 4 LYS HE3 H 1 2.910 0.040 . 2 . . . . B 4 LYS HE3 . 11606 2 22 . 2 . 2 5 5 GLN H H 1 8.387 0.040 . 1 . . . . B 5 GLN H . 11606 2 23 . 2 . 2 5 5 GLN HA H 1 4.339 0.040 . 1 . . . . B 5 GLN HA . 11606 2 24 . 2 . 2 5 5 GLN HB2 H 1 2.044 0.040 . 2 . . . . B 5 GLN HB2 . 11606 2 25 . 2 . 2 5 5 GLN HB3 H 1 1.927 0.040 . 2 . . . . B 5 GLN HB3 . 11606 2 26 . 2 . 2 5 5 GLN HG2 H 1 2.263 0.040 . 2 . . . . B 5 GLN HG2 . 11606 2 27 . 2 . 2 5 5 GLN HG3 H 1 2.263 0.040 . 2 . . . . B 5 GLN HG3 . 11606 2 28 . 2 . 2 5 5 GLN HE21 H 1 7.073 0.040 . 2 . . . . B 5 GLN HE21 . 11606 2 29 . 2 . 2 5 5 GLN HE22 H 1 6.790 0.040 . 2 . . . . B 5 GLN HE22 . 11606 2 30 . 2 . 2 6 6 THR HA H 1 4.689 0.040 . 1 . . . . B 6 THR HA . 11606 2 31 . 2 . 2 6 6 THR HB H 1 5.539 0.040 . 1 . . . . B 6 THR HB . 11606 2 32 . 2 . 2 6 6 THR HG21 H 1 0.971 0.040 . 1 . . . . B 6 THR HG21 . 11606 2 33 . 2 . 2 6 6 THR HG22 H 1 0.971 0.040 . 1 . . . . B 6 THR HG22 . 11606 2 34 . 2 . 2 6 6 THR HG23 H 1 0.971 0.040 . 1 . . . . B 6 THR HG23 . 11606 2 35 . 2 . 2 7 7 ALA H H 1 8.210 0.040 . 1 . . . . B 7 ALA H . 11606 2 36 . 2 . 2 7 7 ALA HA H 1 4.140 0.040 . 1 . . . . B 7 ALA HA . 11606 2 37 . 2 . 2 7 7 ALA HB1 H 1 1.426 0.040 . 1 . . . . B 7 ALA HB1 . 11606 2 38 . 2 . 2 7 7 ALA HB2 H 1 1.426 0.040 . 1 . . . . B 7 ALA HB2 . 11606 2 39 . 2 . 2 7 7 ALA HB3 H 1 1.426 0.040 . 1 . . . . B 7 ALA HB3 . 11606 2 40 . 2 . 2 8 8 ARG HA H 1 4.884 0.040 . 1 . . . . B 8 ARG HA . 11606 2 41 . 2 . 2 8 8 ARG HG2 H 1 1.679 0.040 . 2 . . . . B 8 ARG HG2 . 11606 2 42 . 2 . 2 8 8 ARG HG3 H 1 1.679 0.040 . 2 . . . . B 8 ARG HG3 . 11606 2 43 . 2 . 2 8 8 ARG HD2 H 1 3.170 0.040 . 2 . . . . B 8 ARG HD2 . 11606 2 44 . 2 . 2 8 8 ARG HD3 H 1 3.170 0.040 . 2 . . . . B 8 ARG HD3 . 11606 2 45 . 2 . 2 9 9 M3L H H 1 8.255 0.040 . 1 . . . . B 9 M3L H . 11606 2 46 . 2 . 2 9 9 M3L HA H 1 4.694 0.040 . 1 . . . . B 9 M3L HA . 11606 2 47 . 2 . 2 9 9 M3L HE1 H 1 0.887 0.040 . 2 . . . . B 9 M3L HE1 . 11606 2 48 . 2 . 2 9 9 M3L HE2 H 1 0.887 0.040 . 2 . . . . B 9 M3L HE2 . 11606 2 49 . 2 . 2 9 9 M3L HG1 H 1 0.897 0.040 . 2 . . . . B 9 M3L HG1 . 11606 2 50 . 2 . 2 9 9 M3L HG2 H 1 0.835 0.040 . 2 . . . . B 9 M3L HG2 . 11606 2 51 . 2 . 2 9 9 M3L HM11 H 1 1.439 0.040 . 1 . . . . B 9 M3L HM11 . 11606 2 52 . 2 . 2 9 9 M3L HM12 H 1 1.437 0.040 . 1 . . . . B 9 M3L HM12 . 11606 2 53 . 2 . 2 9 9 M3L HM21 H 1 1.436 0.040 . 1 . . . . B 9 M3L HM21 . 11606 2 54 . 2 . 2 9 9 M3L HM22 H 1 1.381 0.040 . 1 . . . . B 9 M3L HM22 . 11606 2 55 . 2 . 2 9 9 M3L HM31 H 1 1.439 0.040 . 1 . . . . B 9 M3L HM31 . 11606 2 56 . 2 . 2 9 9 M3L HM32 H 1 1.438 0.040 . 1 . . . . B 9 M3L HM32 . 11606 2 57 . 2 . 2 10 10 SER HB2 H 1 3.995 0.040 . 2 . . . . B 10 SER HB2 . 11606 2 58 . 2 . 2 10 10 SER HB3 H 1 3.995 0.040 . 2 . . . . B 10 SER HB3 . 11606 2 59 . 2 . 2 11 11 THR HA H 1 4.470 0.040 . 1 . . . . B 11 THR HA . 11606 2 60 . 2 . 2 11 11 THR HB H 1 4.222 0.040 . 1 . . . . B 11 THR HB . 11606 2 61 . 2 . 2 11 11 THR HG21 H 1 1.386 0.040 . 1 . . . . B 11 THR HG21 . 11606 2 62 . 2 . 2 11 11 THR HG22 H 1 1.386 0.040 . 1 . . . . B 11 THR HG22 . 11606 2 63 . 2 . 2 11 11 THR HG23 H 1 1.386 0.040 . 1 . . . . B 11 THR HG23 . 11606 2 64 . 2 . 2 12 12 GLY H H 1 8.358 0.040 . 1 . . . . B 12 GLY H . 11606 2 65 . 2 . 2 12 12 GLY HA2 H 1 3.958 0.040 . 2 . . . . B 12 GLY HA2 . 11606 2 66 . 2 . 2 12 12 GLY HA3 H 1 3.958 0.040 . 2 . . . . B 12 GLY HA3 . 11606 2 67 . 2 . 2 14 14 LYS H H 1 8.383 0.040 . 1 . . . . B 14 LYS H . 11606 2 68 . 2 . 2 14 14 LYS HA H 1 4.275 0.040 . 1 . . . . B 14 LYS HA . 11606 2 69 . 2 . 2 14 14 LYS HB2 H 1 1.727 0.040 . 2 . . . . B 14 LYS HB2 . 11606 2 70 . 2 . 2 14 14 LYS HB3 H 1 1.727 0.040 . 2 . . . . B 14 LYS HB3 . 11606 2 71 . 2 . 2 14 14 LYS HG2 H 1 1.373 0.040 . 2 . . . . B 14 LYS HG2 . 11606 2 72 . 2 . 2 14 14 LYS HG3 H 1 1.373 0.040 . 2 . . . . B 14 LYS HG3 . 11606 2 73 . 2 . 2 14 14 LYS HD2 H 1 1.727 0.040 . 2 . . . . B 14 LYS HD2 . 11606 2 74 . 2 . 2 14 14 LYS HD3 H 1 1.727 0.040 . 2 . . . . B 14 LYS HD3 . 11606 2 75 . 2 . 2 14 14 LYS HE2 H 1 2.963 0.040 . 2 . . . . B 14 LYS HE2 . 11606 2 76 . 2 . 2 14 14 LYS HE3 H 1 2.963 0.040 . 2 . . . . B 14 LYS HE3 . 11606 2 77 . 2 . 2 15 15 ALA H H 1 8.346 0.040 . 1 . . . . B 15 ALA H . 11606 2 78 . 2 . 2 15 15 ALA HA H 1 4.560 0.040 . 1 . . . . B 15 ALA HA . 11606 2 79 . 2 . 2 15 15 ALA HB1 H 1 1.332 0.040 . 1 . . . . B 15 ALA HB1 . 11606 2 80 . 2 . 2 15 15 ALA HB2 H 1 1.332 0.040 . 1 . . . . B 15 ALA HB2 . 11606 2 81 . 2 . 2 15 15 ALA HB3 H 1 1.332 0.040 . 1 . . . . B 15 ALA HB3 . 11606 2 82 . 2 . 2 16 16 PRO HA H 1 4.408 0.040 . 1 . . . . B 16 PRO HA . 11606 2 83 . 2 . 2 16 16 PRO HB2 H 1 2.284 0.040 . 2 . . . . B 16 PRO HB2 . 11606 2 84 . 2 . 2 16 16 PRO HB3 H 1 1.861 0.040 . 2 . . . . B 16 PRO HB3 . 11606 2 85 . 2 . 2 16 16 PRO HG2 H 1 2.000 0.040 . 2 . . . . B 16 PRO HG2 . 11606 2 86 . 2 . 2 16 16 PRO HG3 H 1 2.000 0.040 . 2 . . . . B 16 PRO HG3 . 11606 2 87 . 2 . 2 16 16 PRO HD2 H 1 3.785 0.040 . 2 . . . . B 16 PRO HD2 . 11606 2 88 . 2 . 2 16 16 PRO HD3 H 1 3.618 0.040 . 2 . . . . B 16 PRO HD3 . 11606 2 89 . 2 . 2 17 17 ARG H H 1 8.486 0.040 . 1 . . . . B 17 ARG H . 11606 2 90 . 2 . 2 17 17 ARG HA H 1 4.259 0.040 . 1 . . . . B 17 ARG HA . 11606 2 91 . 2 . 2 17 17 ARG HB2 H 1 1.792 0.040 . 2 . . . . B 17 ARG HB2 . 11606 2 92 . 2 . 2 17 17 ARG HB3 H 1 1.792 0.040 . 2 . . . . B 17 ARG HB3 . 11606 2 93 . 2 . 2 17 17 ARG HG2 H 1 1.650 0.040 . 2 . . . . B 17 ARG HG2 . 11606 2 94 . 2 . 2 17 17 ARG HG3 H 1 1.650 0.040 . 2 . . . . B 17 ARG HG3 . 11606 2 95 . 2 . 2 17 17 ARG HD2 H 1 3.186 0.040 . 2 . . . . B 17 ARG HD2 . 11606 2 96 . 2 . 2 17 17 ARG HD3 H 1 3.186 0.040 . 2 . . . . B 17 ARG HD3 . 11606 2 97 . 2 . 2 18 18 TYR HA H 1 4.340 0.040 . 1 . . . . B 18 TYR HA . 11606 2 98 . 2 . 2 18 18 TYR HB2 H 1 3.032 0.040 . 2 . . . . B 18 TYR HB2 . 11606 2 99 . 2 . 2 18 18 TYR HB3 H 1 2.868 0.040 . 2 . . . . B 18 TYR HB3 . 11606 2 100 . 2 . 2 18 18 TYR HD1 H 1 7.551 0.040 . 1 . . . . B 18 TYR HD1 . 11606 2 101 . 2 . 2 18 18 TYR HD2 H 1 7.551 0.040 . 1 . . . . B 18 TYR HD2 . 11606 2 102 . 2 . 2 18 18 TYR HE1 H 1 6.861 0.040 . 1 . . . . B 18 TYR HE1 . 11606 2 103 . 2 . 2 18 18 TYR HE2 H 1 6.861 0.040 . 1 . . . . B 18 TYR HE2 . 11606 2 stop_ save_