################################### # 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 19148 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $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 1 '2D 1H-15N HSQC' . . . 19148 1 2 '3D HNCO' . . . 19148 1 3 '3D HNCA' . . . 19148 1 4 '3D HNCACB' . . . 19148 1 5 '3D CBCA(CO)NH' . . . 19148 1 6 '3D HBHA(CO)NH' . . . 19148 1 7 '3D 1H-13C NOESY' . . . 19148 1 8 '3D 1H-15N NOESY' . . . 19148 1 9 '3D HCCH-TOCSY' . . . 19148 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 1 1 GLN HA H 1 4.492 0.000 . . . . . A 28 GLN HA . 19148 1 2 . 1 1 1 1 GLN H H 1 8.688 0.000 . . . . . A 28 GLN H1 . 19148 1 3 . 1 1 1 1 GLN C C 13 174.426 0.000 . . . . . A 28 GLN C . 19148 1 4 . 1 1 1 1 GLN CA C 13 55.410 0.000 . . . . . A 28 GLN CA . 19148 1 5 . 1 1 1 1 GLN CB C 13 30.386 0.000 . . . . . A 28 GLN CB . 19148 1 6 . 1 1 1 1 GLN N N 15 121.243 0.000 . . . . . A 28 GLN N . 19148 1 7 . 1 1 2 2 ALA H H 1 8.267 0.000 . . . . . A 29 ALA H . 19148 1 8 . 1 1 2 2 ALA HA H 1 4.817 0.000 . . . . . A 29 ALA HA . 19148 1 9 . 1 1 2 2 ALA HB1 H 1 1.232 0.000 . . . . . A 29 ALA HB1 . 19148 1 10 . 1 1 2 2 ALA HB2 H 1 1.232 0.000 . . . . . A 29 ALA HB2 . 19148 1 11 . 1 1 2 2 ALA HB3 H 1 1.232 0.000 . . . . . A 29 ALA HB3 . 19148 1 12 . 1 1 2 2 ALA C C 13 176.438 0.000 . . . . . A 29 ALA C . 19148 1 13 . 1 1 2 2 ALA CA C 13 51.870 0.000 . . . . . A 29 ALA CA . 19148 1 14 . 1 1 2 2 ALA CB C 13 20.920 0.000 . . . . . A 29 ALA CB . 19148 1 15 . 1 1 2 2 ALA N N 15 125.100 0.000 . . . . . A 29 ALA N . 19148 1 16 . 1 1 3 3 VAL H H 1 8.363 0.000 . . . . . A 30 VAL H . 19148 1 17 . 1 1 3 3 VAL HA H 1 4.350 0.000 . . . . . A 30 VAL HA . 19148 1 18 . 1 1 3 3 VAL HB H 1 2.090 0.000 . . . . . A 30 VAL HB . 19148 1 19 . 1 1 3 3 VAL HG11 H 1 0.858 0.000 . . . . . A 30 VAL HG11 . 19148 1 20 . 1 1 3 3 VAL HG12 H 1 0.858 0.000 . . . . . A 30 VAL HG12 . 19148 1 21 . 1 1 3 3 VAL HG13 H 1 0.858 0.000 . . . . . A 30 VAL HG13 . 19148 1 22 . 1 1 3 3 VAL HG21 H 1 0.791 0.000 . . . . . A 30 VAL HG21 . 19148 1 23 . 1 1 3 3 VAL HG22 H 1 0.791 0.000 . . . . . A 30 VAL HG22 . 19148 1 24 . 1 1 3 3 VAL HG23 H 1 0.791 0.000 . . . . . A 30 VAL HG23 . 19148 1 25 . 1 1 3 3 VAL C C 13 173.844 0.000 . . . . . A 30 VAL C . 19148 1 26 . 1 1 3 3 VAL CA C 13 60.842 0.000 . . . . . A 30 VAL CA . 19148 1 27 . 1 1 3 3 VAL CB C 13 33.926 0.000 . . . . . A 30 VAL CB . 19148 1 28 . 1 1 3 3 VAL CG1 C 13 20.426 0.000 . . . . . A 30 VAL CG1 . 19148 1 29 . 1 1 3 3 VAL CG2 C 13 22.269 0.000 . . . . . A 30 VAL CG2 . 19148 1 30 . 1 1 3 3 VAL N N 15 118.800 0.000 . . . . . A 30 VAL N . 19148 1 31 . 1 1 4 4 GLU H H 1 8.278 0.000 . . . . . A 31 GLU H . 19148 1 32 . 1 1 4 4 GLU HA H 1 5.020 0.000 . . . . . A 31 GLU HA . 19148 1 33 . 1 1 4 4 GLU HB2 H 1 1.750 0.000 . . . . . A 31 GLU HB2 . 19148 1 34 . 1 1 4 4 GLU HB3 H 1 1.694 0.000 . . . . . A 31 GLU HB3 . 19148 1 35 . 1 1 4 4 GLU HG2 H 1 2.102 0.000 . . . . . A 31 GLU HG2 . 19148 1 36 . 1 1 4 4 GLU HG3 H 1 2.102 0.000 . . . . . A 31 GLU HG3 . 19148 1 37 . 1 1 4 4 GLU C C 13 173.712 0.000 . . . . . A 31 GLU C . 19148 1 38 . 1 1 4 4 GLU CA C 13 54.916 0.000 . . . . . A 31 GLU CA . 19148 1 39 . 1 1 4 4 GLU CB C 13 33.679 0.000 . . . . . A 31 GLU CB . 19148 1 40 . 1 1 4 4 GLU CG C 13 37.831 0.000 . . . . . A 31 GLU CG . 19148 1 41 . 1 1 4 4 GLU N N 15 122.726 0.000 . . . . . A 31 GLU N . 19148 1 42 . 1 1 5 5 TYR H H 1 8.243 0.000 . . . . . A 32 TYR H . 19148 1 43 . 1 1 5 5 TYR HA H 1 4.731 0.000 . . . . . A 32 TYR HA . 19148 1 44 . 1 1 5 5 TYR HB2 H 1 2.203 0.000 . . . . . A 32 TYR HB2 . 19148 1 45 . 1 1 5 5 TYR HB3 H 1 1.285 0.000 . . . . . A 32 TYR HB3 . 19148 1 46 . 1 1 5 5 TYR HD1 H 1 6.466 0.000 . . . . . A 32 TYR HD1 . 19148 1 47 . 1 1 5 5 TYR HD2 H 1 6.466 0.000 . . . . . A 32 TYR HD2 . 19148 1 48 . 1 1 5 5 TYR HE1 H 1 6.358 0.000 . . . . . A 32 TYR HE1 . 19148 1 49 . 1 1 5 5 TYR HE2 H 1 6.358 0.000 . . . . . A 32 TYR HE2 . 19148 1 50 . 1 1 5 5 TYR C C 13 174.389 0.000 . . . . . A 32 TYR C . 19148 1 51 . 1 1 5 5 TYR CA C 13 57.056 0.000 . . . . . A 32 TYR CA . 19148 1 52 . 1 1 5 5 TYR CB C 13 43.063 0.000 . . . . . A 32 TYR CB . 19148 1 53 . 1 1 5 5 TYR CD1 C 13 132.223 0.000 . . . . . A 32 TYR CD1 . 19148 1 54 . 1 1 5 5 TYR CD2 C 13 132.223 0.000 . . . . . A 32 TYR CD2 . 19148 1 55 . 1 1 5 5 TYR CE1 C 13 117.460 0.000 . . . . . A 32 TYR CE1 . 19148 1 56 . 1 1 5 5 TYR CE2 C 13 117.460 0.000 . . . . . A 32 TYR CE2 . 19148 1 57 . 1 1 5 5 TYR N N 15 120.248 0.000 . . . . . A 32 TYR N . 19148 1 58 . 1 1 6 6 ALA H H 1 8.613 0.000 . . . . . A 33 ALA H . 19148 1 59 . 1 1 6 6 ALA HA H 1 5.734 0.000 . . . . . A 33 ALA HA . 19148 1 60 . 1 1 6 6 ALA HB1 H 1 1.257 0.000 . . . . . A 33 ALA HB1 . 19148 1 61 . 1 1 6 6 ALA HB2 H 1 1.257 0.000 . . . . . A 33 ALA HB2 . 19148 1 62 . 1 1 6 6 ALA HB3 H 1 1.257 0.000 . . . . . A 33 ALA HB3 . 19148 1 63 . 1 1 6 6 ALA C C 13 177.886 0.000 . . . . . A 33 ALA C . 19148 1 64 . 1 1 6 6 ALA CA C 13 50.635 0.000 . . . . . A 33 ALA CA . 19148 1 65 . 1 1 6 6 ALA CB C 13 22.649 0.000 . . . . . A 33 ALA CB . 19148 1 66 . 1 1 6 6 ALA N N 15 119.054 0.000 . . . . . A 33 ALA N . 19148 1 67 . 1 1 7 7 CYS H H 1 9.090 0.000 . . . . . A 34 CYS H . 19148 1 68 . 1 1 7 7 CYS HA H 1 5.558 0.000 . . . . . A 34 CYS HA . 19148 1 69 . 1 1 7 7 CYS HB2 H 1 3.577 0.000 . . . . . A 34 CYS HB2 . 19148 1 70 . 1 1 7 7 CYS HB3 H 1 3.157 0.000 . . . . . A 34 CYS HB3 . 19148 1 71 . 1 1 7 7 CYS C C 13 177.472 0.000 . . . . . A 34 CYS C . 19148 1 72 . 1 1 7 7 CYS CA C 13 56.727 0.000 . . . . . A 34 CYS CA . 19148 1 73 . 1 1 7 7 CYS CB C 13 32.362 0.000 . . . . . A 34 CYS CB . 19148 1 74 . 1 1 7 7 CYS N N 15 124.578 0.000 . . . . . A 34 CYS N . 19148 1 75 . 1 1 8 8 GLU H H 1 8.865 0.000 . . . . . A 35 GLU H . 19148 1 76 . 1 1 8 8 GLU HA H 1 4.202 0.000 . . . . . A 35 GLU HA . 19148 1 77 . 1 1 8 8 GLU HB2 H 1 2.193 0.000 . . . . . A 35 GLU HB2 . 19148 1 78 . 1 1 8 8 GLU HB3 H 1 2.193 0.000 . . . . . A 35 GLU HB3 . 19148 1 79 . 1 1 8 8 GLU HG2 H 1 2.375 0.000 . . . . . A 35 GLU HG2 . 19148 1 80 . 1 1 8 8 GLU HG3 H 1 2.377 0.000 . . . . . A 35 GLU HG3 . 19148 1 81 . 1 1 8 8 GLU C C 13 177.190 0.000 . . . . . A 35 GLU C . 19148 1 82 . 1 1 8 8 GLU CA C 13 59.031 0.000 . . . . . A 35 GLU CA . 19148 1 83 . 1 1 8 8 GLU CB C 13 29.893 0.000 . . . . . A 35 GLU CB . 19148 1 84 . 1 1 8 8 GLU CG C 13 36.244 0.000 . . . . . A 35 GLU CG . 19148 1 85 . 1 1 8 8 GLU N N 15 121.981 0.000 . . . . . A 35 GLU N . 19148 1 86 . 1 1 9 9 LYS H H 1 9.341 0.000 . . . . . A 36 LYS H . 19148 1 87 . 1 1 9 9 LYS HA H 1 4.273 0.000 . . . . . A 36 LYS HA . 19148 1 88 . 1 1 9 9 LYS HB2 H 1 1.709 0.000 . . . . . A 36 LYS HB2 . 19148 1 89 . 1 1 9 9 LYS HB3 H 1 1.611 0.000 . . . . . A 36 LYS HB3 . 19148 1 90 . 1 1 9 9 LYS HG2 H 1 1.391 0.000 . . . . . A 36 LYS HG2 . 19148 1 91 . 1 1 9 9 LYS HG3 H 1 1.391 0.000 . . . . . A 36 LYS HG3 . 19148 1 92 . 1 1 9 9 LYS HD2 H 1 1.747 0.000 . . . . . A 36 LYS HD2 . 19148 1 93 . 1 1 9 9 LYS HD3 H 1 1.748 0.000 . . . . . A 36 LYS HD3 . 19148 1 94 . 1 1 9 9 LYS HE2 H 1 3.086 0.000 . . . . . A 36 LYS HE2 . 19148 1 95 . 1 1 9 9 LYS HE3 H 1 3.086 0.000 . . . . . A 36 LYS HE3 . 19148 1 96 . 1 1 9 9 LYS C C 13 176.551 0.000 . . . . . A 36 LYS C . 19148 1 97 . 1 1 9 9 LYS CA C 13 55.986 0.000 . . . . . A 36 LYS CA . 19148 1 98 . 1 1 9 9 LYS CB C 13 32.115 0.000 . . . . . A 36 LYS CB . 19148 1 99 . 1 1 9 9 LYS CG C 13 25.665 0.000 . . . . . A 36 LYS CG . 19148 1 100 . 1 1 9 9 LYS CD C 13 28.627 0.000 . . . . . A 36 LYS CD . 19148 1 101 . 1 1 9 9 LYS CE C 13 42.380 0.000 . . . . . A 36 LYS CE . 19148 1 102 . 1 1 9 9 LYS N N 15 121.258 0.000 . . . . . A 36 LYS N . 19148 1 103 . 1 1 10 10 GLY H H 1 7.902 0.000 . . . . . A 37 GLY H . 19148 1 104 . 1 1 10 10 GLY HA2 H 1 4.135 0.000 . . . . . A 37 GLY HA2 . 19148 1 105 . 1 1 10 10 GLY HA3 H 1 3.653 0.000 . . . . . A 37 GLY HA3 . 19148 1 106 . 1 1 10 10 GLY C C 13 174.746 0.000 . . . . . A 37 GLY C . 19148 1 107 . 1 1 10 10 GLY CA C 13 45.367 0.000 . . . . . A 37 GLY CA . 19148 1 108 . 1 1 10 10 GLY N N 15 107.582 0.000 . . . . . A 37 GLY N . 19148 1 109 . 1 1 11 11 HIS H H 1 7.812 0.000 . . . . . A 38 HIS H . 19148 1 110 . 1 1 11 11 HIS HA H 1 4.905 0.000 . . . . . A 38 HIS HA . 19148 1 111 . 1 1 11 11 HIS HB2 H 1 3.103 0.000 . . . . . A 38 HIS HB2 . 19148 1 112 . 1 1 11 11 HIS HB3 H 1 3.104 0.000 . . . . . A 38 HIS HB3 . 19148 1 113 . 1 1 11 11 HIS C C 13 174.351 0.000 . . . . . A 38 HIS C . 19148 1 114 . 1 1 11 11 HIS CA C 13 56.644 0.000 . . . . . A 38 HIS CA . 19148 1 115 . 1 1 11 11 HIS CB C 13 30.880 0.000 . . . . . A 38 HIS CB . 19148 1 116 . 1 1 11 11 HIS N N 15 122.025 0.000 . . . . . A 38 HIS N . 19148 1 117 . 1 1 12 12 ARG H H 1 8.473 0.000 . . . . . A 39 ARG H . 19148 1 118 . 1 1 12 12 ARG HA H 1 5.717 0.000 . . . . . A 39 ARG HA . 19148 1 119 . 1 1 12 12 ARG HB2 H 1 1.931 0.000 . . . . . A 39 ARG HB2 . 19148 1 120 . 1 1 12 12 ARG HB3 H 1 1.745 0.000 . . . . . A 39 ARG HB3 . 19148 1 121 . 1 1 12 12 ARG HG2 H 1 1.615 0.000 . . . . . A 39 ARG HG2 . 19148 1 122 . 1 1 12 12 ARG HG3 H 1 1.534 0.000 . . . . . A 39 ARG HG3 . 19148 1 123 . 1 1 12 12 ARG HD2 H 1 3.106 0.000 . . . . . A 39 ARG HD2 . 19148 1 124 . 1 1 12 12 ARG HD3 H 1 3.162 0.000 . . . . . A 39 ARG HD3 . 19148 1 125 . 1 1 12 12 ARG C C 13 175.573 0.000 . . . . . A 39 ARG C . 19148 1 126 . 1 1 12 12 ARG CA C 13 54.863 0.000 . . . . . A 39 ARG CA . 19148 1 127 . 1 1 12 12 ARG CB C 13 33.597 0.000 . . . . . A 39 ARG CB . 19148 1 128 . 1 1 12 12 ARG CG C 13 27.358 0.000 . . . . . A 39 ARG CG . 19148 1 129 . 1 1 12 12 ARG CD C 13 43.649 0.000 . . . . . A 39 ARG CD . 19148 1 130 . 1 1 12 12 ARG N N 15 122.401 0.000 . . . . . A 39 ARG N . 19148 1 131 . 1 1 13 13 PHE H H 1 8.531 0.000 . . . . . A 40 PHE H . 19148 1 132 . 1 1 13 13 PHE HA H 1 5.104 0.000 . . . . . A 40 PHE HA . 19148 1 133 . 1 1 13 13 PHE HB2 H 1 3.251 0.000 . . . . . A 40 PHE HB2 . 19148 1 134 . 1 1 13 13 PHE HB3 H 1 3.142 0.000 . . . . . A 40 PHE HB3 . 19148 1 135 . 1 1 13 13 PHE HD1 H 1 7.032 0.000 . . . . . A 40 PHE HD1 . 19148 1 136 . 1 1 13 13 PHE HD2 H 1 7.032 0.000 . . . . . A 40 PHE HD2 . 19148 1 137 . 1 1 13 13 PHE HE1 H 1 7.269 0.000 . . . . . A 40 PHE HE1 . 19148 1 138 . 1 1 13 13 PHE HE2 H 1 7.269 0.000 . . . . . A 40 PHE HE2 . 19148 1 139 . 1 1 13 13 PHE HZ H 1 7.528 0.000 . . . . . A 40 PHE HZ . 19148 1 140 . 1 1 13 13 PHE C C 13 171.945 0.000 . . . . . A 40 PHE C . 19148 1 141 . 1 1 13 13 PHE CA C 13 55.903 0.000 . . . . . A 40 PHE CA . 19148 1 142 . 1 1 13 13 PHE CB C 13 40.346 0.000 . . . . . A 40 PHE CB . 19148 1 143 . 1 1 13 13 PHE CD1 C 13 133.316 0.000 . . . . . A 40 PHE CD1 . 19148 1 144 . 1 1 13 13 PHE CD2 C 13 133.316 0.000 . . . . . A 40 PHE CD2 . 19148 1 145 . 1 1 13 13 PHE CE1 C 13 131.129 0.000 . . . . . A 40 PHE CE1 . 19148 1 146 . 1 1 13 13 PHE CE2 C 13 131.129 0.000 . . . . . A 40 PHE CE2 . 19148 1 147 . 1 1 13 13 PHE CZ C 13 127.848 0.000 . . . . . A 40 PHE CZ . 19148 1 148 . 1 1 13 13 PHE N N 15 119.867 0.000 . . . . . A 40 PHE N . 19148 1 149 . 1 1 14 14 GLU H H 1 8.478 0.000 . . . . . A 41 GLU H . 19148 1 150 . 1 1 14 14 GLU HA H 1 5.361 0.000 . . . . . A 41 GLU HA . 19148 1 151 . 1 1 14 14 GLU HB2 H 1 1.866 0.000 . . . . . A 41 GLU HB2 . 19148 1 152 . 1 1 14 14 GLU HB3 H 1 1.866 0.000 . . . . . A 41 GLU HB3 . 19148 1 153 . 1 1 14 14 GLU HG2 H 1 2.040 0.000 . . . . . A 41 GLU HG2 . 19148 1 154 . 1 1 14 14 GLU HG3 H 1 2.177 0.000 . . . . . A 41 GLU HG3 . 19148 1 155 . 1 1 14 14 GLU C C 13 176.532 0.000 . . . . . A 41 GLU C . 19148 1 156 . 1 1 14 14 GLU CA C 13 54.175 0.000 . . . . . A 41 GLU CA . 19148 1 157 . 1 1 14 14 GLU CB C 13 33.103 0.000 . . . . . A 41 GLU CB . 19148 1 158 . 1 1 14 14 GLU CG C 13 36.561 0.000 . . . . . A 41 GLU CG . 19148 1 159 . 1 1 14 14 GLU N N 15 118.749 0.000 . . . . . A 41 GLU N . 19148 1 160 . 1 1 15 15 MET H H 1 8.926 0.000 . . . . . A 42 MET H . 19148 1 161 . 1 1 15 15 MET HA H 1 5.148 0.000 . . . . . A 42 MET HA . 19148 1 162 . 1 1 15 15 MET HB2 H 1 1.527 0.000 . . . . . A 42 MET HB2 . 19148 1 163 . 1 1 15 15 MET HB3 H 1 1.395 0.000 . . . . . A 42 MET HB3 . 19148 1 164 . 1 1 15 15 MET HG2 H 1 2.091 0.000 . . . . . A 42 MET HG2 . 19148 1 165 . 1 1 15 15 MET HG3 H 1 2.091 0.000 . . . . . A 42 MET HG3 . 19148 1 166 . 1 1 15 15 MET HE1 H 1 1.792 0.000 . . . . . A 42 MET HE1 . 19148 1 167 . 1 1 15 15 MET HE2 H 1 1.792 0.000 . . . . . A 42 MET HE2 . 19148 1 168 . 1 1 15 15 MET HE3 H 1 1.792 0.000 . . . . . A 42 MET HE3 . 19148 1 169 . 1 1 15 15 MET C C 13 173.862 0.000 . . . . . A 42 MET C . 19148 1 170 . 1 1 15 15 MET CA C 13 51.047 0.000 . . . . . A 42 MET CA . 19148 1 171 . 1 1 15 15 MET CB C 13 34.914 0.000 . . . . . A 42 MET CB . 19148 1 172 . 1 1 15 15 MET CG C 13 32.118 0.000 . . . . . A 42 MET CG . 19148 1 173 . 1 1 15 15 MET CE C 13 32.013 0.000 . . . . . A 42 MET CE . 19148 1 174 . 1 1 15 15 MET N N 15 121.000 0.000 . . . . . A 42 MET N . 19148 1 175 . 1 1 16 16 PRO HA H 1 4.978 0.000 . . . . . A 43 PRO HA . 19148 1 176 . 1 1 16 16 PRO HB2 H 1 2.004 0.000 . . . . . A 43 PRO HB2 . 19148 1 177 . 1 1 16 16 PRO HB3 H 1 1.880 0.000 . . . . . A 43 PRO HB3 . 19148 1 178 . 1 1 16 16 PRO HG2 H 1 1.980 0.000 . . . . . A 43 PRO HG2 . 19148 1 179 . 1 1 16 16 PRO HG3 H 1 1.980 0.000 . . . . . A 43 PRO HG3 . 19148 1 180 . 1 1 16 16 PRO HD2 H 1 3.505 0.000 . . . . . A 43 PRO HD2 . 19148 1 181 . 1 1 16 16 PRO HD3 H 1 3.705 0.000 . . . . . A 43 PRO HD3 . 19148 1 182 . 1 1 16 16 PRO C C 13 176.006 0.000 . . . . . A 43 PRO C . 19148 1 183 . 1 1 16 16 PRO CA C 13 61.739 0.000 . . . . . A 43 PRO CA . 19148 1 184 . 1 1 16 16 PRO CB C 13 31.292 0.000 . . . . . A 43 PRO CB . 19148 1 185 . 1 1 16 16 PRO CG C 13 26.829 0.000 . . . . . A 43 PRO CG . 19148 1 186 . 1 1 16 16 PRO CD C 13 50.526 0.000 . . . . . A 43 PRO CD . 19148 1 187 . 1 1 17 17 PHE H H 1 8.135 0.000 . . . . . A 44 PHE H . 19148 1 188 . 1 1 17 17 PHE HA H 1 4.786 0.000 . . . . . A 44 PHE HA . 19148 1 189 . 1 1 17 17 PHE HB2 H 1 3.142 0.000 . . . . . A 44 PHE HB2 . 19148 1 190 . 1 1 17 17 PHE HB3 H 1 2.671 0.000 . . . . . A 44 PHE HB3 . 19148 1 191 . 1 1 17 17 PHE HD1 H 1 7.133 0.000 . . . . . A 44 PHE HD1 . 19148 1 192 . 1 1 17 17 PHE HD2 H 1 7.133 0.000 . . . . . A 44 PHE HD2 . 19148 1 193 . 1 1 17 17 PHE HE1 H 1 6.634 0.000 . . . . . A 44 PHE HE1 . 19148 1 194 . 1 1 17 17 PHE HE2 H 1 6.634 0.000 . . . . . A 44 PHE HE2 . 19148 1 195 . 1 1 17 17 PHE C C 13 175.216 0.000 . . . . . A 44 PHE C . 19148 1 196 . 1 1 17 17 PHE CA C 13 56.480 0.000 . . . . . A 44 PHE CA . 19148 1 197 . 1 1 17 17 PHE CB C 13 42.404 0.000 . . . . . A 44 PHE CB . 19148 1 198 . 1 1 17 17 PHE CD1 C 13 131.129 0.000 . . . . . A 44 PHE CD1 . 19148 1 199 . 1 1 17 17 PHE CD2 C 13 131.129 0.000 . . . . . A 44 PHE CD2 . 19148 1 200 . 1 1 17 17 PHE CE1 C 13 130.036 0.000 . . . . . A 44 PHE CE1 . 19148 1 201 . 1 1 17 17 PHE CE2 C 13 130.036 0.000 . . . . . A 44 PHE CE2 . 19148 1 202 . 1 1 17 17 PHE N N 15 119.990 0.000 . . . . . A 44 PHE N . 19148 1 203 . 1 1 18 18 SER H H 1 8.483 0.000 . . . . . A 45 SER H . 19148 1 204 . 1 1 18 18 SER HA H 1 4.596 0.000 . . . . . A 45 SER HA . 19148 1 205 . 1 1 18 18 SER HB2 H 1 4.062 0.000 . . . . . A 45 SER HB2 . 19148 1 206 . 1 1 18 18 SER HB3 H 1 3.871 0.000 . . . . . A 45 SER HB3 . 19148 1 207 . 1 1 18 18 SER C C 13 175.742 0.000 . . . . . A 45 SER C . 19148 1 208 . 1 1 18 18 SER CA C 13 58.044 0.000 . . . . . A 45 SER CA . 19148 1 209 . 1 1 18 18 SER CB C 13 63.970 0.000 . . . . . A 45 SER CB . 19148 1 210 . 1 1 18 18 SER N N 15 116.512 0.000 . . . . . A 45 SER N . 19148 1 211 . 1 1 19 19 VAL H H 1 8.220 0.000 . . . . . A 46 VAL H . 19148 1 212 . 1 1 19 19 VAL HA H 1 4.054 0.000 . . . . . A 46 VAL HA . 19148 1 213 . 1 1 19 19 VAL HB H 1 2.237 0.000 . . . . . A 46 VAL HB . 19148 1 214 . 1 1 19 19 VAL HG11 H 1 0.991 0.000 . . . . . A 46 VAL HG11 . 19148 1 215 . 1 1 19 19 VAL HG12 H 1 0.991 0.000 . . . . . A 46 VAL HG12 . 19148 1 216 . 1 1 19 19 VAL HG13 H 1 0.991 0.000 . . . . . A 46 VAL HG13 . 19148 1 217 . 1 1 19 19 VAL HG21 H 1 0.991 0.000 . . . . . A 46 VAL HG21 . 19148 1 218 . 1 1 19 19 VAL HG22 H 1 0.991 0.000 . . . . . A 46 VAL HG22 . 19148 1 219 . 1 1 19 19 VAL HG23 H 1 0.991 0.000 . . . . . A 46 VAL HG23 . 19148 1 220 . 1 1 19 19 VAL C C 13 176.400 0.000 . . . . . A 46 VAL C . 19148 1 221 . 1 1 19 19 VAL CA C 13 63.888 0.000 . . . . . A 46 VAL CA . 19148 1 222 . 1 1 19 19 VAL CB C 13 31.950 0.000 . . . . . A 46 VAL CB . 19148 1 223 . 1 1 19 19 VAL CG1 C 13 20.270 0.000 . . . . . A 46 VAL CG1 . 19148 1 224 . 1 1 19 19 VAL CG2 C 13 21.328 0.000 . . . . . A 46 VAL CG2 . 19148 1 225 . 1 1 19 19 VAL N N 15 120.000 0.000 . . . . . A 46 VAL N . 19148 1 226 . 1 1 20 20 GLU H H 1 8.401 0.000 . . . . . A 47 GLU H . 19148 1 227 . 1 1 20 20 GLU HA H 1 4.247 0.000 . . . . . A 47 GLU HA . 19148 1 228 . 1 1 20 20 GLU HB2 H 1 2.163 0.000 . . . . . A 47 GLU HB2 . 19148 1 229 . 1 1 20 20 GLU HB3 H 1 1.952 0.000 . . . . . A 47 GLU HB3 . 19148 1 230 . 1 1 20 20 GLU HG2 H 1 2.248 0.000 . . . . . A 47 GLU HG2 . 19148 1 231 . 1 1 20 20 GLU HG3 H 1 2.248 0.000 . . . . . A 47 GLU HG3 . 19148 1 232 . 1 1 20 20 GLU C C 13 176.006 0.000 . . . . . A 47 GLU C . 19148 1 233 . 1 1 20 20 GLU CA C 13 56.974 0.000 . . . . . A 47 GLU CA . 19148 1 234 . 1 1 20 20 GLU CB C 13 29.481 0.000 . . . . . A 47 GLU CB . 19148 1 235 . 1 1 20 20 GLU CG C 13 36.456 0.000 . . . . . A 47 GLU CG . 19148 1 236 . 1 1 20 20 GLU N N 15 120.013 0.000 . . . . . A 47 GLU N . 19148 1 237 . 1 1 21 21 ALA H H 1 7.542 0.000 . . . . . A 48 ALA H . 19148 1 238 . 1 1 21 21 ALA HA H 1 4.353 0.000 . . . . . A 48 ALA HA . 19148 1 239 . 1 1 21 21 ALA HB1 H 1 1.497 0.000 . . . . . A 48 ALA HB1 . 19148 1 240 . 1 1 21 21 ALA HB2 H 1 1.497 0.000 . . . . . A 48 ALA HB2 . 19148 1 241 . 1 1 21 21 ALA HB3 H 1 1.497 0.000 . . . . . A 48 ALA HB3 . 19148 1 242 . 1 1 21 21 ALA C C 13 176.870 0.000 . . . . . A 48 ALA C . 19148 1 243 . 1 1 21 21 ALA CA C 13 52.199 0.000 . . . . . A 48 ALA CA . 19148 1 244 . 1 1 21 21 ALA CB C 13 20.591 0.000 . . . . . A 48 ALA CB . 19148 1 245 . 1 1 21 21 ALA N N 15 122.458 0.000 . . . . . A 48 ALA N . 19148 1 246 . 1 1 22 22 GLU H H 1 8.061 0.000 . . . . . A 49 GLU H . 19148 1 247 . 1 1 22 22 GLU HA H 1 4.268 0.000 . . . . . A 49 GLU HA . 19148 1 248 . 1 1 22 22 GLU HB2 H 1 1.936 0.000 . . . . . A 49 GLU HB2 . 19148 1 249 . 1 1 22 22 GLU HB3 H 1 1.916 0.000 . . . . . A 49 GLU HB3 . 19148 1 250 . 1 1 22 22 GLU HG2 H 1 2.180 0.000 . . . . . A 49 GLU HG2 . 19148 1 251 . 1 1 22 22 GLU HG3 H 1 2.277 0.000 . . . . . A 49 GLU HG3 . 19148 1 252 . 1 1 22 22 GLU C C 13 175.761 0.000 . . . . . A 49 GLU C . 19148 1 253 . 1 1 22 22 GLU CA C 13 55.903 0.000 . . . . . A 49 GLU CA . 19148 1 254 . 1 1 22 22 GLU CB C 13 30.140 0.000 . . . . . A 49 GLU CB . 19148 1 255 . 1 1 22 22 GLU CG C 13 36.456 0.000 . . . . . A 49 GLU CG . 19148 1 256 . 1 1 22 22 GLU N N 15 119.217 0.000 . . . . . A 49 GLU N . 19148 1 257 . 1 1 23 23 ILE H H 1 8.152 0.000 . . . . . A 50 ILE H . 19148 1 258 . 1 1 23 23 ILE HA H 1 3.908 0.000 . . . . . A 50 ILE HA . 19148 1 259 . 1 1 23 23 ILE HB H 1 1.631 0.000 . . . . . A 50 ILE HB . 19148 1 260 . 1 1 23 23 ILE HG12 H 1 1.375 0.000 . . . . . A 50 ILE HG12 . 19148 1 261 . 1 1 23 23 ILE HG13 H 1 1.382 0.000 . . . . . A 50 ILE HG13 . 19148 1 262 . 1 1 23 23 ILE HG21 H 1 0.551 0.000 . . . . . A 50 ILE HG21 . 19148 1 263 . 1 1 23 23 ILE HG22 H 1 0.551 0.000 . . . . . A 50 ILE HG22 . 19148 1 264 . 1 1 23 23 ILE HG23 H 1 0.551 0.000 . . . . . A 50 ILE HG23 . 19148 1 265 . 1 1 23 23 ILE HD11 H 1 0.708 0.000 . . . . . A 50 ILE HD11 . 19148 1 266 . 1 1 23 23 ILE HD12 H 1 0.708 0.000 . . . . . A 50 ILE HD12 . 19148 1 267 . 1 1 23 23 ILE HD13 H 1 0.708 0.000 . . . . . A 50 ILE HD13 . 19148 1 268 . 1 1 23 23 ILE C C 13 174.483 0.000 . . . . . A 50 ILE C . 19148 1 269 . 1 1 23 23 ILE CA C 13 58.126 0.000 . . . . . A 50 ILE CA . 19148 1 270 . 1 1 23 23 ILE CB C 13 38.371 0.000 . . . . . A 50 ILE CB . 19148 1 271 . 1 1 23 23 ILE CG1 C 13 27.146 0.000 . . . . . A 50 ILE CG1 . 19148 1 272 . 1 1 23 23 ILE CG2 C 13 12.442 0.000 . . . . . A 50 ILE CG2 . 19148 1 273 . 1 1 23 23 ILE CD1 C 13 18.260 0.000 . . . . . A 50 ILE CD1 . 19148 1 274 . 1 1 23 23 ILE N N 15 126.270 0.000 . . . . . A 50 ILE N . 19148 1 275 . 1 1 25 25 PRO HA H 1 4.554 0.000 . . . . . A 52 PRO HA . 19148 1 276 . 1 1 25 25 PRO HB2 H 1 2.419 0.000 . . . . . A 52 PRO HB2 . 19148 1 277 . 1 1 25 25 PRO HB3 H 1 2.180 0.000 . . . . . A 52 PRO HB3 . 19148 1 278 . 1 1 25 25 PRO HG2 H 1 2.160 0.000 . . . . . A 52 PRO HG2 . 19148 1 279 . 1 1 25 25 PRO HG3 H 1 2.160 0.000 . . . . . A 52 PRO HG3 . 19148 1 280 . 1 1 25 25 PRO HD2 H 1 3.933 0.000 . . . . . A 52 PRO HD2 . 19148 1 281 . 1 1 25 25 PRO HD3 H 1 4.033 0.000 . . . . . A 52 PRO HD3 . 19148 1 282 . 1 1 25 25 PRO C C 13 175.742 0.000 . . . . . A 52 PRO C . 19148 1 283 . 1 1 25 25 PRO CA C 13 64.490 0.000 . . . . . A 52 PRO CA . 19148 1 284 . 1 1 25 25 PRO CB C 13 32.330 0.000 . . . . . A 52 PRO CB . 19148 1 285 . 1 1 25 25 PRO CG C 13 27.252 0.000 . . . . . A 52 PRO CG . 19148 1 286 . 1 1 25 25 PRO CD C 13 50.737 0.000 . . . . . A 52 PRO CD . 19148 1 287 . 1 1 26 26 GLU H H 1 7.387 0.000 . . . . . A 53 GLU H . 19148 1 288 . 1 1 26 26 GLU HA H 1 5.682 0.000 . . . . . A 53 GLU HA . 19148 1 289 . 1 1 26 26 GLU HB2 H 1 2.141 0.000 . . . . . A 53 GLU HB2 . 19148 1 290 . 1 1 26 26 GLU HB3 H 1 1.964 0.000 . . . . . A 53 GLU HB3 . 19148 1 291 . 1 1 26 26 GLU HG2 H 1 2.100 0.000 . . . . . A 53 GLU HG2 . 19148 1 292 . 1 1 26 26 GLU HG3 H 1 2.121 0.000 . . . . . A 53 GLU HG3 . 19148 1 293 . 1 1 26 26 GLU C C 13 173.844 0.000 . . . . . A 53 GLU C . 19148 1 294 . 1 1 26 26 GLU CA C 13 53.906 0.000 . . . . . A 53 GLU CA . 19148 1 295 . 1 1 26 26 GLU CB C 13 34.008 0.000 . . . . . A 53 GLU CB . 19148 1 296 . 1 1 26 26 GLU CG C 13 35.688 0.000 . . . . . A 53 GLU CG . 19148 1 297 . 1 1 26 26 GLU N N 15 114.593 0.000 . . . . . A 53 GLU N . 19148 1 298 . 1 1 27 27 TRP H H 1 9.030 0.000 . . . . . A 54 TRP H . 19148 1 299 . 1 1 27 27 TRP HA H 1 4.301 0.000 . . . . . A 54 TRP HA . 19148 1 300 . 1 1 27 27 TRP HB2 H 1 2.294 0.000 . . . . . A 54 TRP HB2 . 19148 1 301 . 1 1 27 27 TRP HB3 H 1 2.045 0.000 . . . . . A 54 TRP HB3 . 19148 1 302 . 1 1 27 27 TRP C C 13 174.013 0.000 . . . . . A 54 TRP C . 19148 1 303 . 1 1 27 27 TRP CA C 13 56.397 0.000 . . . . . A 54 TRP CA . 19148 1 304 . 1 1 27 27 TRP CB C 13 32.444 0.000 . . . . . A 54 TRP CB . 19148 1 305 . 1 1 27 27 TRP N N 15 122.688 0.000 . . . . . A 54 TRP N . 19148 1 306 . 1 1 28 28 GLU H H 1 7.143 0.000 . . . . . A 55 GLU H . 19148 1 307 . 1 1 28 28 GLU HA H 1 4.063 0.000 . . . . . A 55 GLU HA . 19148 1 308 . 1 1 28 28 GLU HB2 H 1 1.675 0.000 . . . . . A 55 GLU HB2 . 19148 1 309 . 1 1 28 28 GLU HB3 H 1 1.571 0.000 . . . . . A 55 GLU HB3 . 19148 1 310 . 1 1 28 28 GLU HG2 H 1 2.004 0.000 . . . . . A 55 GLU HG2 . 19148 1 311 . 1 1 28 28 GLU HG3 H 1 1.866 0.000 . . . . . A 55 GLU HG3 . 19148 1 312 . 1 1 28 28 GLU C C 13 175.893 0.000 . . . . . A 55 GLU C . 19148 1 313 . 1 1 28 28 GLU CA C 13 57.056 0.000 . . . . . A 55 GLU CA . 19148 1 314 . 1 1 28 28 GLU CB C 13 30.386 0.000 . . . . . A 55 GLU CB . 19148 1 315 . 1 1 28 28 GLU CG C 13 36.350 0.000 . . . . . A 55 GLU CG . 19148 1 316 . 1 1 28 28 GLU N N 15 125.661 0.000 . . . . . A 55 GLU N . 19148 1 317 . 1 1 29 29 CYS H H 1 9.476 0.000 . . . . . A 56 CYS H . 19148 1 318 . 1 1 29 29 CYS HA H 1 4.300 0.000 . . . . . A 56 CYS HA . 19148 1 319 . 1 1 29 29 CYS HB2 H 1 3.316 0.000 . . . . . A 56 CYS HB2 . 19148 1 320 . 1 1 29 29 CYS HB3 H 1 2.978 0.000 . . . . . A 56 CYS HB3 . 19148 1 321 . 1 1 29 29 CYS C C 13 177.998 0.000 . . . . . A 56 CYS C . 19148 1 322 . 1 1 29 29 CYS CA C 13 60.925 0.000 . . . . . A 56 CYS CA . 19148 1 323 . 1 1 29 29 CYS CB C 13 30.304 0.000 . . . . . A 56 CYS CB . 19148 1 324 . 1 1 29 29 CYS N N 15 126.844 0.000 . . . . . A 56 CYS N . 19148 1 325 . 1 1 30 30 LYS H H 1 5.816 0.000 . . . . . A 57 LYS H . 19148 1 326 . 1 1 30 30 LYS HA H 1 3.874 0.000 . . . . . A 57 LYS HA . 19148 1 327 . 1 1 30 30 LYS HB2 H 1 1.412 0.000 . . . . . A 57 LYS HB2 . 19148 1 328 . 1 1 30 30 LYS HB3 H 1 1.118 0.000 . . . . . A 57 LYS HB3 . 19148 1 329 . 1 1 30 30 LYS HG2 H 1 0.991 0.000 . . . . . A 57 LYS HG2 . 19148 1 330 . 1 1 30 30 LYS HG3 H 1 0.981 0.000 . . . . . A 57 LYS HG3 . 19148 1 331 . 1 1 30 30 LYS HD2 H 1 1.555 0.000 . . . . . A 57 LYS HD2 . 19148 1 332 . 1 1 30 30 LYS HD3 H 1 1.555 0.000 . . . . . A 57 LYS HD3 . 19148 1 333 . 1 1 30 30 LYS HE2 H 1 2.931 0.000 . . . . . A 57 LYS HE2 . 19148 1 334 . 1 1 30 30 LYS HE3 H 1 2.926 0.000 . . . . . A 57 LYS HE3 . 19148 1 335 . 1 1 30 30 LYS C C 13 175.686 0.000 . . . . . A 57 LYS C . 19148 1 336 . 1 1 30 30 LYS CA C 13 57.961 0.000 . . . . . A 57 LYS CA . 19148 1 337 . 1 1 30 30 LYS CB C 13 33.020 0.000 . . . . . A 57 LYS CB . 19148 1 338 . 1 1 30 30 LYS CG C 13 24.607 0.000 . . . . . A 57 LYS CG . 19148 1 339 . 1 1 30 30 LYS CD C 13 29.262 0.000 . . . . . A 57 LYS CD . 19148 1 340 . 1 1 30 30 LYS CE C 13 41.534 0.000 . . . . . A 57 LYS CE . 19148 1 341 . 1 1 30 30 LYS N N 15 130.306 0.000 . . . . . A 57 LYS N . 19148 1 342 . 1 1 31 31 VAL H H 1 8.883 0.000 . . . . . A 58 VAL H . 19148 1 343 . 1 1 31 31 VAL HA H 1 3.707 0.000 . . . . . A 58 VAL HA . 19148 1 344 . 1 1 31 31 VAL HB H 1 1.264 0.000 . . . . . A 58 VAL HB . 19148 1 345 . 1 1 31 31 VAL HG11 H 1 0.238 0.000 . . . . . A 58 VAL HG11 . 19148 1 346 . 1 1 31 31 VAL HG12 H 1 0.238 0.000 . . . . . A 58 VAL HG12 . 19148 1 347 . 1 1 31 31 VAL HG13 H 1 0.238 0.000 . . . . . A 58 VAL HG13 . 19148 1 348 . 1 1 31 31 VAL HG21 H 1 0.703 0.000 . . . . . A 58 VAL HG21 . 19148 1 349 . 1 1 31 31 VAL HG22 H 1 0.703 0.000 . . . . . A 58 VAL HG22 . 19148 1 350 . 1 1 31 31 VAL HG23 H 1 0.703 0.000 . . . . . A 58 VAL HG23 . 19148 1 351 . 1 1 31 31 VAL C C 13 177.397 0.000 . . . . . A 58 VAL C . 19148 1 352 . 1 1 31 31 VAL CA C 13 64.958 0.000 . . . . . A 58 VAL CA . 19148 1 353 . 1 1 31 31 VAL CB C 13 32.436 0.000 . . . . . A 58 VAL CB . 19148 1 354 . 1 1 31 31 VAL CG1 C 13 19.741 0.000 . . . . . A 58 VAL CG1 . 19148 1 355 . 1 1 31 31 VAL CG2 C 13 21.222 0.000 . . . . . A 58 VAL CG2 . 19148 1 356 . 1 1 31 31 VAL N N 15 121.332 0.000 . . . . . A 58 VAL N . 19148 1 357 . 1 1 32 32 CYS H H 1 8.310 0.000 . . . . . A 59 CYS H . 19148 1 358 . 1 1 32 32 CYS HA H 1 5.061 0.000 . . . . . A 59 CYS HA . 19148 1 359 . 1 1 32 32 CYS HB2 H 1 3.443 0.000 . . . . . A 59 CYS HB2 . 19148 1 360 . 1 1 32 32 CYS HB3 H 1 2.660 0.000 . . . . . A 59 CYS HB3 . 19148 1 361 . 1 1 32 32 CYS C C 13 176.795 0.000 . . . . . A 59 CYS C . 19148 1 362 . 1 1 32 32 CYS CA C 13 58.867 0.000 . . . . . A 59 CYS CA . 19148 1 363 . 1 1 32 32 CYS CB C 13 34.255 0.000 . . . . . A 59 CYS CB . 19148 1 364 . 1 1 32 32 CYS N N 15 117.752 0.000 . . . . . A 59 CYS N . 19148 1 365 . 1 1 33 33 GLY H H 1 8.078 0.000 . . . . . A 60 GLY H . 19148 1 366 . 1 1 33 33 GLY HA2 H 1 4.289 0.000 . . . . . A 60 GLY HA2 . 19148 1 367 . 1 1 33 33 GLY HA3 H 1 3.803 0.000 . . . . . A 60 GLY HA3 . 19148 1 368 . 1 1 33 33 GLY C C 13 173.110 0.000 . . . . . A 60 GLY C . 19148 1 369 . 1 1 33 33 GLY CA C 13 46.355 0.000 . . . . . A 60 GLY CA . 19148 1 370 . 1 1 33 33 GLY N N 15 113.490 0.000 . . . . . A 60 GLY N . 19148 1 371 . 1 1 34 34 ALA H H 1 8.516 0.000 . . . . . A 61 ALA H . 19148 1 372 . 1 1 34 34 ALA HA H 1 4.518 0.000 . . . . . A 61 ALA HA . 19148 1 373 . 1 1 34 34 ALA HB1 H 1 1.666 0.000 . . . . . A 61 ALA HB1 . 19148 1 374 . 1 1 34 34 ALA HB2 H 1 1.666 0.000 . . . . . A 61 ALA HB2 . 19148 1 375 . 1 1 34 34 ALA HB3 H 1 1.666 0.000 . . . . . A 61 ALA HB3 . 19148 1 376 . 1 1 34 34 ALA C C 13 175.724 0.000 . . . . . A 61 ALA C . 19148 1 377 . 1 1 34 34 ALA CA C 13 52.117 0.000 . . . . . A 61 ALA CA . 19148 1 378 . 1 1 34 34 ALA CB C 13 21.167 0.000 . . . . . A 61 ALA CB . 19148 1 379 . 1 1 34 34 ALA N N 15 124.940 0.000 . . . . . A 61 ALA N . 19148 1 380 . 1 1 35 35 GLN H H 1 8.492 0.000 . . . . . A 62 GLN H . 19148 1 381 . 1 1 35 35 GLN HA H 1 4.183 0.000 . . . . . A 62 GLN HA . 19148 1 382 . 1 1 35 35 GLN HB2 H 1 2.036 0.000 . . . . . A 62 GLN HB2 . 19148 1 383 . 1 1 35 35 GLN HB3 H 1 2.036 0.000 . . . . . A 62 GLN HB3 . 19148 1 384 . 1 1 35 35 GLN HG2 H 1 2.161 0.000 . . . . . A 62 GLN HG2 . 19148 1 385 . 1 1 35 35 GLN HG3 H 1 2.396 0.000 . . . . . A 62 GLN HG3 . 19148 1 386 . 1 1 35 35 GLN C C 13 174.915 0.000 . . . . . A 62 GLN C . 19148 1 387 . 1 1 35 35 GLN CA C 13 57.632 0.000 . . . . . A 62 GLN CA . 19148 1 388 . 1 1 35 35 GLN CB C 13 29.728 0.000 . . . . . A 62 GLN CB . 19148 1 389 . 1 1 35 35 GLN CG C 13 34.023 0.000 . . . . . A 62 GLN CG . 19148 1 390 . 1 1 35 35 GLN N N 15 118.486 0.000 . . . . . A 62 GLN N . 19148 1 391 . 1 1 36 36 ALA H H 1 8.863 0.000 . . . . . A 63 ALA H . 19148 1 392 . 1 1 36 36 ALA HA H 1 4.926 0.000 . . . . . A 63 ALA HA . 19148 1 393 . 1 1 36 36 ALA HB1 H 1 1.513 0.000 . . . . . A 63 ALA HB1 . 19148 1 394 . 1 1 36 36 ALA HB2 H 1 1.513 0.000 . . . . . A 63 ALA HB2 . 19148 1 395 . 1 1 36 36 ALA HB3 H 1 1.513 0.000 . . . . . A 63 ALA HB3 . 19148 1 396 . 1 1 36 36 ALA C C 13 175.197 0.000 . . . . . A 63 ALA C . 19148 1 397 . 1 1 36 36 ALA CA C 13 50.306 0.000 . . . . . A 63 ALA CA . 19148 1 398 . 1 1 36 36 ALA CB C 13 21.744 0.000 . . . . . A 63 ALA CB . 19148 1 399 . 1 1 36 36 ALA N N 15 129.224 0.000 . . . . . A 63 ALA N . 19148 1 400 . 1 1 37 37 LEU H H 1 8.137 0.000 . . . . . A 64 LEU H . 19148 1 401 . 1 1 37 37 LEU HA H 1 5.210 0.000 . . . . . A 64 LEU HA . 19148 1 402 . 1 1 37 37 LEU HB2 H 1 1.805 0.000 . . . . . A 64 LEU HB2 . 19148 1 403 . 1 1 37 37 LEU HB3 H 1 1.756 0.000 . . . . . A 64 LEU HB3 . 19148 1 404 . 1 1 37 37 LEU HG H 1 1.815 0.000 . . . . . A 64 LEU HG . 19148 1 405 . 1 1 37 37 LEU HD11 H 1 1.004 0.000 . . . . . A 64 LEU HD11 . 19148 1 406 . 1 1 37 37 LEU HD12 H 1 1.004 0.000 . . . . . A 64 LEU HD12 . 19148 1 407 . 1 1 37 37 LEU HD13 H 1 1.004 0.000 . . . . . A 64 LEU HD13 . 19148 1 408 . 1 1 37 37 LEU HD21 H 1 1.022 0.000 . . . . . A 64 LEU HD21 . 19148 1 409 . 1 1 37 37 LEU HD22 H 1 1.022 0.000 . . . . . A 64 LEU HD22 . 19148 1 410 . 1 1 37 37 LEU HD23 H 1 1.022 0.000 . . . . . A 64 LEU HD23 . 19148 1 411 . 1 1 37 37 LEU C C 13 177.322 0.000 . . . . . A 64 LEU C . 19148 1 412 . 1 1 37 37 LEU CA C 13 53.928 0.000 . . . . . A 64 LEU CA . 19148 1 413 . 1 1 37 37 LEU CB C 13 44.874 0.000 . . . . . A 64 LEU CB . 19148 1 414 . 1 1 37 37 LEU CG C 13 27.695 0.000 . . . . . A 64 LEU CG . 19148 1 415 . 1 1 37 37 LEU CD1 C 13 25.135 0.000 . . . . . A 64 LEU CD1 . 19148 1 416 . 1 1 37 37 LEU CD2 C 13 23.702 0.000 . . . . . A 64 LEU CD2 . 19148 1 417 . 1 1 37 37 LEU N N 15 121.213 0.000 . . . . . A 64 LEU N . 19148 1 418 . 1 1 38 38 LEU H H 1 7.619 0.000 . . . . . A 65 LEU H . 19148 1 419 . 1 1 38 38 LEU HA H 1 3.655 0.000 . . . . . A 65 LEU HA . 19148 1 420 . 1 1 38 38 LEU HB2 H 1 1.554 0.000 . . . . . A 65 LEU HB2 . 19148 1 421 . 1 1 38 38 LEU HB3 H 1 1.431 0.000 . . . . . A 65 LEU HB3 . 19148 1 422 . 1 1 38 38 LEU HG H 1 1.282 0.000 . . . . . A 65 LEU HG . 19148 1 423 . 1 1 38 38 LEU HD11 H 1 0.615 0.000 . . . . . A 65 LEU HD11 . 19148 1 424 . 1 1 38 38 LEU HD12 H 1 0.615 0.000 . . . . . A 65 LEU HD12 . 19148 1 425 . 1 1 38 38 LEU HD13 H 1 0.615 0.000 . . . . . A 65 LEU HD13 . 19148 1 426 . 1 1 38 38 LEU HD21 H 1 0.535 0.000 . . . . . A 65 LEU HD21 . 19148 1 427 . 1 1 38 38 LEU HD22 H 1 0.535 0.000 . . . . . A 65 LEU HD22 . 19148 1 428 . 1 1 38 38 LEU HD23 H 1 0.535 0.000 . . . . . A 65 LEU HD23 . 19148 1 429 . 1 1 38 38 LEU C C 13 177.058 0.000 . . . . . A 65 LEU C . 19148 1 430 . 1 1 38 38 LEU CA C 13 55.739 0.000 . . . . . A 65 LEU CA . 19148 1 431 . 1 1 38 38 LEU CB C 13 43.145 0.000 . . . . . A 65 LEU CB . 19148 1 432 . 1 1 38 38 LEU CG C 13 26.617 0.000 . . . . . A 65 LEU CG . 19148 1 433 . 1 1 38 38 LEU CD1 C 13 25.559 0.000 . . . . . A 65 LEU CD1 . 19148 1 434 . 1 1 38 38 LEU CD2 C 13 24.078 0.000 . . . . . A 65 LEU CD2 . 19148 1 435 . 1 1 38 38 LEU N N 15 123.951 0.000 . . . . . A 65 LEU N . 19148 1 436 . 1 1 39 39 VAL H H 1 8.392 0.000 . . . . . A 66 VAL H . 19148 1 437 . 1 1 39 39 VAL HA H 1 3.928 0.000 . . . . . A 66 VAL HA . 19148 1 438 . 1 1 39 39 VAL HB H 1 1.807 0.000 . . . . . A 66 VAL HB . 19148 1 439 . 1 1 39 39 VAL HG11 H 1 0.725 0.000 . . . . . A 66 VAL HG11 . 19148 1 440 . 1 1 39 39 VAL HG12 H 1 0.725 0.000 . . . . . A 66 VAL HG12 . 19148 1 441 . 1 1 39 39 VAL HG13 H 1 0.725 0.000 . . . . . A 66 VAL HG13 . 19148 1 442 . 1 1 39 39 VAL HG21 H 1 0.820 0.000 . . . . . A 66 VAL HG21 . 19148 1 443 . 1 1 39 39 VAL HG22 H 1 0.820 0.000 . . . . . A 66 VAL HG22 . 19148 1 444 . 1 1 39 39 VAL HG23 H 1 0.820 0.000 . . . . . A 66 VAL HG23 . 19148 1 445 . 1 1 39 39 VAL C C 13 175.536 0.000 . . . . . A 66 VAL C . 19148 1 446 . 1 1 39 39 VAL CA C 13 62.735 0.000 . . . . . A 66 VAL CA . 19148 1 447 . 1 1 39 39 VAL CB C 13 32.280 0.000 . . . . . A 66 VAL CB . 19148 1 448 . 1 1 39 39 VAL CG1 C 13 21.348 0.000 . . . . . A 66 VAL CG1 . 19148 1 449 . 1 1 39 39 VAL CG2 C 13 21.348 0.000 . . . . . A 66 VAL CG2 . 19148 1 450 . 1 1 39 39 VAL N N 15 127.050 0.000 . . . . . A 66 VAL N . 19148 1 451 . 1 1 40 40 ASP H H 1 8.278 0.000 . . . . . A 67 ASP H . 19148 1 452 . 1 1 40 40 ASP HA H 1 4.626 0.000 . . . . . A 67 ASP HA . 19148 1 453 . 1 1 40 40 ASP HB2 H 1 2.592 0.000 . . . . . A 67 ASP HB2 . 19148 1 454 . 1 1 40 40 ASP HB3 H 1 2.591 0.000 . . . . . A 67 ASP HB3 . 19148 1 455 . 1 1 40 40 ASP C C 13 176.269 0.000 . . . . . A 67 ASP C . 19148 1 456 . 1 1 40 40 ASP CA C 13 53.928 0.000 . . . . . A 67 ASP CA . 19148 1 457 . 1 1 40 40 ASP CB C 13 41.663 0.000 . . . . . A 67 ASP CB . 19148 1 458 . 1 1 40 40 ASP N N 15 125.550 0.000 . . . . . A 67 ASP N . 19148 1 459 . 1 1 41 41 GLY H H 1 8.303 0.000 . . . . . A 68 GLY H . 19148 1 460 . 1 1 41 41 GLY HA2 H 1 4.014 0.000 . . . . . A 68 GLY HA2 . 19148 1 461 . 1 1 41 41 GLY HA3 H 1 3.919 0.000 . . . . . A 68 GLY HA3 . 19148 1 462 . 1 1 41 41 GLY C C 13 173.806 0.000 . . . . . A 68 GLY C . 19148 1 463 . 1 1 41 41 GLY CA C 13 45.532 0.000 . . . . . A 68 GLY CA . 19148 1 464 . 1 1 41 41 GLY N N 15 109.554 0.000 . . . . . A 68 GLY N . 19148 1 465 . 1 1 42 42 ASP H H 1 8.276 0.000 . . . . . A 69 ASP H . 19148 1 466 . 1 1 42 42 ASP HA H 1 4.702 0.000 . . . . . A 69 ASP HA . 19148 1 467 . 1 1 42 42 ASP HB2 H 1 2.724 0.000 . . . . . A 69 ASP HB2 . 19148 1 468 . 1 1 42 42 ASP HB3 H 1 2.607 0.000 . . . . . A 69 ASP HB3 . 19148 1 469 . 1 1 42 42 ASP C C 13 176.476 0.000 . . . . . A 69 ASP C . 19148 1 470 . 1 1 42 42 ASP CA C 13 54.175 0.000 . . . . . A 69 ASP CA . 19148 1 471 . 1 1 42 42 ASP CB C 13 41.499 0.000 . . . . . A 69 ASP CB . 19148 1 472 . 1 1 42 42 ASP N N 15 120.592 0.000 . . . . . A 69 ASP N . 19148 1 473 . 1 1 43 43 GLY H H 1 8.175 0.000 . . . . . A 70 GLY H . 19148 1 474 . 1 1 43 43 GLY HA2 H 1 4.655 0.000 . . . . . A 70 GLY HA2 . 19148 1 475 . 1 1 43 43 GLY C C 13 172.001 0.000 . . . . . A 70 GLY C . 19148 1 476 . 1 1 43 43 GLY CA C 13 44.791 0.000 . . . . . A 70 GLY CA . 19148 1 477 . 1 1 43 43 GLY N N 15 108.866 0.000 . . . . . A 70 GLY N . 19148 1 478 . 1 1 44 44 PRO HA H 1 4.423 0.000 . . . . . A 71 PRO HA . 19148 1 479 . 1 1 44 44 PRO HB2 H 1 2.271 0.000 . . . . . A 71 PRO HB2 . 19148 1 480 . 1 1 44 44 PRO HB3 H 1 1.964 0.000 . . . . . A 71 PRO HB3 . 19148 1 481 . 1 1 44 44 PRO C C 13 177.171 0.000 . . . . . A 71 PRO C . 19148 1 482 . 1 1 44 44 PRO CA C 13 63.312 0.000 . . . . . A 71 PRO CA . 19148 1 483 . 1 1 44 44 PRO CB C 13 32.197 0.000 . . . . . A 71 PRO CB . 19148 1 484 . 1 1 45 45 GLU H H 1 8.466 0.000 . . . . . A 72 GLU H . 19148 1 485 . 1 1 45 45 GLU HA H 1 4.256 0.000 . . . . . A 72 GLU HA . 19148 1 486 . 1 1 45 45 GLU HB2 H 1 2.035 0.000 . . . . . A 72 GLU HB2 . 19148 1 487 . 1 1 45 45 GLU HB3 H 1 1.974 0.000 . . . . . A 72 GLU HB3 . 19148 1 488 . 1 1 45 45 GLU C C 13 176.494 0.000 . . . . . A 72 GLU C . 19148 1 489 . 1 1 45 45 GLU CA C 13 56.727 0.000 . . . . . A 72 GLU CA . 19148 1 490 . 1 1 45 45 GLU CB C 13 30.386 0.000 . . . . . A 72 GLU CB . 19148 1 491 . 1 1 45 45 GLU N N 15 120.852 0.000 . . . . . A 72 GLU N . 19148 1 492 . 1 1 46 46 GLU H H 1 8.292 0.000 . . . . . A 73 GLU H . 19148 1 493 . 1 1 46 46 GLU HA H 1 1.984 0.000 . . . . . A 73 GLU HA . 19148 1 494 . 1 1 46 46 GLU HB2 H 1 1.782 0.000 . . . . . A 73 GLU HB2 . 19148 1 495 . 1 1 46 46 GLU HB3 H 1 1.660 0.000 . . . . . A 73 GLU HB3 . 19148 1 496 . 1 1 46 46 GLU C C 13 176.043 0.000 . . . . . A 73 GLU C . 19148 1 497 . 1 1 46 46 GLU CA C 13 56.644 0.000 . . . . . A 73 GLU CA . 19148 1 498 . 1 1 46 46 GLU CB C 13 30.386 0.000 . . . . . A 73 GLU CB . 19148 1 499 . 1 1 46 46 GLU N N 15 122.189 0.000 . . . . . A 73 GLU N . 19148 1 500 . 1 1 47 47 LYS H H 1 8.309 0.000 . . . . . A 74 LYS H . 19148 1 501 . 1 1 47 47 LYS HA H 1 4.369 0.000 . . . . . A 74 LYS HA . 19148 1 502 . 1 1 47 47 LYS HB2 H 1 1.872 0.000 . . . . . A 74 LYS HB2 . 19148 1 503 . 1 1 47 47 LYS HB3 H 1 1.749 0.000 . . . . . A 74 LYS HB3 . 19148 1 504 . 1 1 47 47 LYS C C 13 175.423 0.000 . . . . . A 74 LYS C . 19148 1 505 . 1 1 47 47 LYS CA C 13 56.397 0.000 . . . . . A 74 LYS CA . 19148 1 506 . 1 1 47 47 LYS CB C 13 32.938 0.000 . . . . . A 74 LYS CB . 19148 1 507 . 1 1 47 47 LYS N N 15 123.989 0.000 . . . . . A 74 LYS N . 19148 1 508 . 1 1 48 48 LYS H H 1 7.888 0.000 . . . . . A 75 LYS H . 19148 1 509 . 1 1 48 48 LYS C C 13 181.251 0.000 . . . . . A 75 LYS C . 19148 1 510 . 1 1 48 48 LYS CA C 13 57.550 0.000 . . . . . A 75 LYS CA . 19148 1 511 . 1 1 48 48 LYS CB C 13 33.926 0.000 . . . . . A 75 LYS CB . 19148 1 512 . 1 1 48 48 LYS N N 15 128.513 0.000 . . . . . A 75 LYS N . 19148 1 stop_ save_