################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 50411 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'EmrE S64V Solid State Chemical Shifts' _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method Linewidth _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '3D solid-state hCANH' . . . 50411 1 2 '3D solid-state hCONH' . . . 50411 1 3 '3D solid-state hCA(CO)NH' . . . 50411 1 4 '3D solid-state hCO(CA)NH' . . . 50411 1 5 '2D CC CORD' . . . 50411 1 6 '3D NCACX' . . . 50411 1 10 '2D solid-state hNH' . . . 50411 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 2 $software_2 . . 50411 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 PRO C C 13 177.689 0 . 1 . . . . . 3 PRO C . 50411 1 2 . 1 . 1 3 3 PRO CA C 13 64.223 0 . 1 . . . . . 3 PRO CA . 50411 1 3 . 1 . 1 4 4 TYR H H 1 7.866 0.01 . 1 . . . . . 4 TYR H . 50411 1 4 . 1 . 1 4 4 TYR C C 13 178.12 0.07 . 1 . . . . . 4 TYR C . 50411 1 5 . 1 . 1 4 4 TYR CA C 13 62.106 0.14 . 1 . . . . . 4 TYR CA . 50411 1 6 . 1 . 1 4 4 TYR CB C 13 36.544 0 . 1 . . . . . 4 TYR CB . 50411 1 7 . 1 . 1 4 4 TYR N N 15 115.739 0.25 . 1 . . . . . 4 TYR N . 50411 1 8 . 1 . 1 5 5 ILE H H 1 7.66 0.02 . 1 . . . . . 5 ILE H . 50411 1 9 . 1 . 1 5 5 ILE C C 13 177.958 0.03 . 1 . . . . . 5 ILE C . 50411 1 10 . 1 . 1 5 5 ILE CA C 13 64.432 0.01 . 1 . . . . . 5 ILE CA . 50411 1 11 . 1 . 1 5 5 ILE CB C 13 36.743 0 . 1 . . . . . 5 ILE CB . 50411 1 12 . 1 . 1 5 5 ILE N N 15 120 0.06 . 1 . . . . . 5 ILE N . 50411 1 13 . 1 . 1 6 6 TYR H H 1 6.161 0.02 . 1 . . . . . 6 TYR H . 50411 1 14 . 1 . 1 6 6 TYR C C 13 177.965 0 . 1 . . . . . 6 TYR C . 50411 1 15 . 1 . 1 6 6 TYR CA C 13 60.393 0.15 . 1 . . . . . 6 TYR CA . 50411 1 16 . 1 . 1 6 6 TYR CB C 13 37.91 0 . 1 . . . . . 6 TYR CB . 50411 1 17 . 1 . 1 6 6 TYR CE1 C 13 117.601 0 . 1 . . . . . 6 TYR CE1 . 50411 1 18 . 1 . 1 6 6 TYR N N 15 116.843 0.11 . 1 . . . . . 6 TYR N . 50411 1 19 . 1 . 1 7 7 LEU C C 13 177.892 0 . 1 . . . . . 7 LEU C . 50411 1 20 . 1 . 1 7 7 LEU CA C 13 57.22 0 . 1 . . . . . 7 LEU CA . 50411 1 21 . 1 . 1 8 8 GLY H H 1 8.191 0.02 . 1 . . . . . 8 GLY H . 50411 1 22 . 1 . 1 8 8 GLY C C 13 174.921 0 . 1 . . . . . 8 GLY C . 50411 1 23 . 1 . 1 8 8 GLY CA C 13 47.468 0.21 . 1 . . . . . 8 GLY CA . 50411 1 24 . 1 . 1 8 8 GLY N N 15 104.195 0.08 . 1 . . . . . 8 GLY N . 50411 1 25 . 1 . 1 9 9 GLY H H 1 7.944 0.01 . 1 . . . . . 9 GLY H . 50411 1 26 . 1 . 1 9 9 GLY C C 13 173.35 0.01 . 1 . . . . . 9 GLY C . 50411 1 27 . 1 . 1 9 9 GLY CA C 13 47.854 0.07 . 1 . . . . . 9 GLY CA . 50411 1 28 . 1 . 1 9 9 GLY N N 15 106.634 0.1 . 1 . . . . . 9 GLY N . 50411 1 29 . 1 . 1 10 10 ALA H H 1 8.224 0.02 . 1 . . . . . 10 ALA H . 50411 1 30 . 1 . 1 10 10 ALA C C 13 180.141 0.05 . 1 . . . . . 10 ALA C . 50411 1 31 . 1 . 1 10 10 ALA CA C 13 55.36 0.1 . 1 . . . . . 10 ALA CA . 50411 1 32 . 1 . 1 10 10 ALA CB C 13 17.431 0 . 1 . . . . . 10 ALA CB . 50411 1 33 . 1 . 1 10 10 ALA N N 15 125.423 0.09 . 1 . . . . . 10 ALA N . 50411 1 34 . 1 . 1 11 11 ILE H H 1 7.326 0.01 . 1 . . . . . 11 ILE H . 50411 1 35 . 1 . 1 11 11 ILE C C 13 177.317 0.11 . 1 . . . . . 11 ILE C . 50411 1 36 . 1 . 1 11 11 ILE CA C 13 64.39 0.16 . 1 . . . . . 11 ILE CA . 50411 1 37 . 1 . 1 11 11 ILE CB C 13 36.666 0 . 1 . . . . . 11 ILE CB . 50411 1 38 . 1 . 1 11 11 ILE CG1 C 13 28.735 0 . 1 . . . . . 11 ILE CG1 . 50411 1 39 . 1 . 1 11 11 ILE CG2 C 13 17.052 0 . 1 . . . . . 11 ILE CG2 . 50411 1 40 . 1 . 1 11 11 ILE CD1 C 13 12.554 0 . 1 . . . . . 11 ILE CD1 . 50411 1 41 . 1 . 1 11 11 ILE N N 15 119.091 0.05 . 1 . . . . . 11 ILE N . 50411 1 42 . 1 . 1 12 12 LEU H H 1 7.477 0.01 . 1 . . . . . 12 LEU H . 50411 1 43 . 1 . 1 12 12 LEU C C 13 177.699 0.05 . 1 . . . . . 12 LEU C . 50411 1 44 . 1 . 1 12 12 LEU CA C 13 57.351 0.07 . 1 . . . . . 12 LEU CA . 50411 1 45 . 1 . 1 12 12 LEU CB C 13 41.529 0 . 1 . . . . . 12 LEU CB . 50411 1 46 . 1 . 1 12 12 LEU N N 15 117.408 0.09 . 1 . . . . . 12 LEU N . 50411 1 47 . 1 . 1 13 13 ALA H H 1 8.237 0.01 . 1 . . . . . 13 ALA H . 50411 1 48 . 1 . 1 13 13 ALA C C 13 179.324 0.24 . 1 . . . . . 13 ALA C . 50411 1 49 . 1 . 1 13 13 ALA CA C 13 55.278 0.14 . 1 . . . . . 13 ALA CA . 50411 1 50 . 1 . 1 13 13 ALA CB C 13 18.831 0.02 . 1 . . . . . 13 ALA CB . 50411 1 51 . 1 . 1 13 13 ALA N N 15 117.463 0.1 . 1 . . . . . 13 ALA N . 50411 1 52 . 1 . 1 14 14 GLU H H 1 7.497 0.01 . 1 . . . . . 14 GLU H . 50411 1 53 . 1 . 1 14 14 GLU C C 13 177.58 0.32 . 1 . . . . . 14 GLU C . 50411 1 54 . 1 . 1 14 14 GLU CA C 13 61.056 0.09 . 1 . . . . . 14 GLU CA . 50411 1 55 . 1 . 1 14 14 GLU CB C 13 30.27 0 . 1 . . . . . 14 GLU CB . 50411 1 56 . 1 . 1 14 14 GLU CG C 13 35.931 0 . 1 . . . . . 14 GLU CG . 50411 1 57 . 1 . 1 14 14 GLU CD C 13 179.5 0 . 1 . . . . . 14 GLU CD . 50411 1 58 . 1 . 1 14 14 GLU N N 15 117.998 0.21 . 1 . . . . . 14 GLU N . 50411 1 59 . 1 . 1 15 15 VAL H H 1 8.514 0.01 . 1 . . . . . 15 VAL H . 50411 1 60 . 1 . 1 15 15 VAL C C 13 180.776 0.07 . 1 . . . . . 15 VAL C . 50411 1 61 . 1 . 1 15 15 VAL CA C 13 65.419 0.11 . 1 . . . . . 15 VAL CA . 50411 1 62 . 1 . 1 15 15 VAL N N 15 114.341 0.1 . 1 . . . . . 15 VAL N . 50411 1 63 . 1 . 1 16 16 ILE H H 1 7.881 0.02 . 1 . . . . . 16 ILE H . 50411 1 64 . 1 . 1 16 16 ILE C C 13 177.851 0.15 . 1 . . . . . 16 ILE C . 50411 1 65 . 1 . 1 16 16 ILE CA C 13 65.59 0.1 . 1 . . . . . 16 ILE CA . 50411 1 66 . 1 . 1 16 16 ILE CB C 13 36.716 0 . 1 . . . . . 16 ILE CB . 50411 1 67 . 1 . 1 16 16 ILE CG1 C 13 28.707 0 . 1 . . . . . 16 ILE CG1 . 50411 1 68 . 1 . 1 16 16 ILE CG2 C 13 17.447 0 . 1 . . . . . 16 ILE CG2 . 50411 1 69 . 1 . 1 16 16 ILE N N 15 122.13 0.16 . 1 . . . . . 16 ILE N . 50411 1 70 . 1 . 1 17 17 GLY H H 1 8.275 0.03 . 1 . . . . . 17 GLY H . 50411 1 71 . 1 . 1 17 17 GLY C C 13 175.392 0.03 . 1 . . . . . 17 GLY C . 50411 1 72 . 1 . 1 17 17 GLY CA C 13 48.224 0.08 . 1 . . . . . 17 GLY CA . 50411 1 73 . 1 . 1 17 17 GLY N N 15 111.228 0.05 . 1 . . . . . 17 GLY N . 50411 1 74 . 1 . 1 18 18 THR H H 1 10.386 0.02 . 1 . . . . . 18 THR H . 50411 1 75 . 1 . 1 18 18 THR C C 13 176.282 0.18 . 1 . . . . . 18 THR C . 50411 1 76 . 1 . 1 18 18 THR CA C 13 65.784 0.11 . 1 . . . . . 18 THR CA . 50411 1 77 . 1 . 1 18 18 THR CB C 13 67.628 0 . 1 . . . . . 18 THR CB . 50411 1 78 . 1 . 1 18 18 THR CG2 C 13 23.258 0 . 1 . . . . . 18 THR CG . 50411 1 79 . 1 . 1 18 18 THR N N 15 123.509 0.16 . 1 . . . . . 18 THR N . 50411 1 80 . 1 . 1 19 19 THR H H 1 7.455 0.01 . 1 . . . . . 19 THR H . 50411 1 81 . 1 . 1 19 19 THR C C 13 177.041 0.08 . 1 . . . . . 19 THR C . 50411 1 82 . 1 . 1 19 19 THR CA C 13 67.518 0.1 . 1 . . . . . 19 THR CA . 50411 1 83 . 1 . 1 19 19 THR CG2 C 13 20.699 0 . 1 . . . . . 19 THR CG . 50411 1 84 . 1 . 1 19 19 THR N N 15 120.807 0.22 . 1 . . . . . 19 THR N . 50411 1 85 . 1 . 1 20 20 LEU H H 1 8.423 0.02 . 1 . . . . . 20 LEU H . 50411 1 86 . 1 . 1 20 20 LEU C C 13 178.635 0.03 . 1 . . . . . 20 LEU C . 50411 1 87 . 1 . 1 20 20 LEU CA C 13 58.088 0.06 . 1 . . . . . 20 LEU CA . 50411 1 88 . 1 . 1 20 20 LEU N N 15 121.662 0.13 . 1 . . . . . 20 LEU N . 50411 1 89 . 1 . 1 21 21 MET H H 1 8.454 0.02 . 1 . . . . . 21 MET H . 50411 1 90 . 1 . 1 21 21 MET C C 13 181.803 0.22 . 1 . . . . . 21 MET C . 50411 1 91 . 1 . 1 21 21 MET CA C 13 58.474 0.1 . 1 . . . . . 21 MET CA . 50411 1 92 . 1 . 1 21 21 MET CB C 13 31.073 0 . 1 . . . . . 21 MET CB . 50411 1 93 . 1 . 1 21 21 MET CG C 13 32.914 0 . 1 . . . . . 21 MET CG . 50411 1 94 . 1 . 1 21 21 MET N N 15 121.14 0.12 . 1 . . . . . 21 MET N . 50411 1 95 . 1 . 1 22 22 LYS H H 1 7.258 0.02 . 1 . . . . . 22 LYS H . 50411 1 96 . 1 . 1 22 22 LYS C C 13 178.721 0.01 . 1 . . . . . 22 LYS C . 50411 1 97 . 1 . 1 22 22 LYS CA C 13 59.507 0.05 . 1 . . . . . 22 LYS CA . 50411 1 98 . 1 . 1 22 22 LYS CB C 13 30.976 0 . 1 . . . . . 22 LYS CB . 50411 1 99 . 1 . 1 22 22 LYS N N 15 124.854 0.08 . 1 . . . . . 22 LYS N . 50411 1 100 . 1 . 1 23 23 PHE C C 13 176.32 0 . 1 . . . . . 23 PHE C . 50411 1 101 . 1 . 1 23 23 PHE CA C 13 59.746 0 . 1 . . . . . 23 PHE CA . 50411 1 102 . 1 . 1 24 24 SER H H 1 7.726 0.01 . 1 . . . . . 24 SER H . 50411 1 103 . 1 . 1 24 24 SER C C 13 173.344 0.03 . 1 . . . . . 24 SER C . 50411 1 104 . 1 . 1 24 24 SER CA C 13 60.43 0.15 . 1 . . . . . 24 SER CA . 50411 1 105 . 1 . 1 24 24 SER CB C 13 63.881 0 . 1 . . . . . 24 SER CB . 50411 1 106 . 1 . 1 24 24 SER N N 15 113.008 0.16 . 1 . . . . . 24 SER N . 50411 1 107 . 1 . 1 25 25 GLU H H 1 7.376 0.01 . 1 . . . . . 25 GLU H . 50411 1 108 . 1 . 1 25 25 GLU C C 13 177.93 0.01 . 1 . . . . . 25 GLU C . 50411 1 109 . 1 . 1 25 25 GLU CA C 13 55.928 0.11 . 1 . . . . . 25 GLU CA . 50411 1 110 . 1 . 1 25 25 GLU CB C 13 26.497 0 . 1 . . . . . 25 GLU CB . 50411 1 111 . 1 . 1 25 25 GLU CG C 13 35.571 0 . 1 . . . . . 25 GLU CG . 50411 1 112 . 1 . 1 25 25 GLU N N 15 120.285 0.1 . 1 . . . . . 25 GLU N . 50411 1 113 . 1 . 1 26 26 GLY H H 1 9.076 0.02 . 1 . . . . . 26 GLY H . 50411 1 114 . 1 . 1 26 26 GLY C C 13 175.015 0.05 . 1 . . . . . 26 GLY C . 50411 1 115 . 1 . 1 26 26 GLY CA C 13 46.2 0.19 . 1 . . . . . 26 GLY CA . 50411 1 116 . 1 . 1 26 26 GLY N N 15 111.763 0.14 . 1 . . . . . 26 GLY N . 50411 1 117 . 1 . 1 27 27 PHE H H 1 7.731 0.03 . 1 . . . . . 27 PHE H . 50411 1 118 . 1 . 1 27 27 PHE C C 13 173.666 0.05 . 1 . . . . . 27 PHE C . 50411 1 119 . 1 . 1 27 27 PHE CA C 13 60.154 0 . 1 . . . . . 27 PHE CA . 50411 1 120 . 1 . 1 27 27 PHE N N 15 112.84 0.09 . 1 . . . . . 27 PHE N . 50411 1 121 . 1 . 1 28 28 THR H H 1 7.256 0.07 . 1 . . . . . 28 THR H . 50411 1 122 . 1 . 1 28 28 THR C C 13 174.942 0.09 . 1 . . . . . 28 THR C . 50411 1 123 . 1 . 1 28 28 THR CA C 13 61.688 0.11 . 1 . . . . . 28 THR CA . 50411 1 124 . 1 . 1 28 28 THR CB C 13 70.314 0.02 . 1 . . . . . 28 THR CB . 50411 1 125 . 1 . 1 28 28 THR CG2 C 13 20.965 0 . 1 . . . . . 28 THR CG . 50411 1 126 . 1 . 1 28 28 THR N N 15 100.945 0.06 . 1 . . . . . 28 THR N . 50411 1 127 . 1 . 1 29 29 ARG H H 1 7.164 0.02 . 1 . . . . . 29 ARG H . 50411 1 128 . 1 . 1 29 29 ARG C C 13 177.876 0.07 . 1 . . . . . 29 ARG C . 50411 1 129 . 1 . 1 29 29 ARG CA C 13 53.892 0.13 . 1 . . . . . 29 ARG CA . 50411 1 130 . 1 . 1 29 29 ARG CB C 13 31.202 0 . 1 . . . . . 29 ARG CB . 50411 1 131 . 1 . 1 29 29 ARG CG C 13 26.493 0 . 1 . . . . . 29 ARG CG . 50411 1 132 . 1 . 1 29 29 ARG CD C 13 42.835 0 . 1 . . . . . 29 ARG CD . 50411 1 133 . 1 . 1 29 29 ARG N N 15 118.74 0.08 . 1 . . . . . 29 ARG N . 50411 1 134 . 1 . 1 30 30 LEU H H 1 8.944 0.02 . 1 . . . . . 30 LEU H . 50411 1 135 . 1 . 1 30 30 LEU C C 13 177.035 0.05 . 1 . . . . . 30 LEU C . 50411 1 136 . 1 . 1 30 30 LEU CA C 13 59.706 0.1 . 1 . . . . . 30 LEU CA . 50411 1 137 . 1 . 1 30 30 LEU CB C 13 41.698 0 . 1 . . . . . 30 LEU CB . 50411 1 138 . 1 . 1 30 30 LEU CG C 13 26.32 0 . 1 . . . . . 30 LEU CG . 50411 1 139 . 1 . 1 30 30 LEU CD1 C 13 24.854 0 . 1 . . . . . 30 LEU CD1 . 50411 1 140 . 1 . 1 30 30 LEU CD2 C 13 22.785 0 . 1 . . . . . 30 LEU CD2 . 50411 1 141 . 1 . 1 30 30 LEU N N 15 130.377 0.15 . 1 . . . . . 30 LEU N . 50411 1 142 . 1 . 1 31 31 TRP H H 1 9.098 0.04 . 1 . . . . . 31 TRP H . 50411 1 143 . 1 . 1 31 31 TRP C C 13 177.205 0 . 1 . . . . . 31 TRP C . 50411 1 144 . 1 . 1 31 31 TRP CA C 13 61.553 0 . 1 . . . . . 31 TRP CA . 50411 1 145 . 1 . 1 31 31 TRP N N 15 118.481 0.1 . 1 . . . . . 31 TRP N . 50411 1 146 . 1 . 1 32 32 PRO C C 13 178.754 0 . 1 . . . . . 32 PRO C . 50411 1 147 . 1 . 1 33 33 SER H H 1 6.928 0.02 . 1 . . . . . 33 SER H . 50411 1 148 . 1 . 1 33 33 SER C C 13 174.95 0.27 . 1 . . . . . 33 SER C . 50411 1 149 . 1 . 1 33 33 SER CA C 13 63.984 0.06 . 1 . . . . . 33 SER CA . 50411 1 150 . 1 . 1 33 33 SER CB C 13 62.352 0 . 1 . . . . . 33 SER CB . 50411 1 151 . 1 . 1 33 33 SER N N 15 113.635 0.08 . 1 . . . . . 33 SER N . 50411 1 152 . 1 . 1 34 34 VAL H H 1 8.118 0.04 . 1 . . . . . 34 VAL H . 50411 1 153 . 1 . 1 34 34 VAL C C 13 178.103 0.02 . 1 . . . . . 34 VAL C . 50411 1 154 . 1 . 1 34 34 VAL CA C 13 66.652 0.07 . 1 . . . . . 34 VAL CA . 50411 1 155 . 1 . 1 34 34 VAL CB C 13 31.503 0 . 1 . . . . . 34 VAL CB . 50411 1 156 . 1 . 1 34 34 VAL CG1 C 13 22.66 0 . 1 . . . . . 34 VAL CG1 . 50411 1 157 . 1 . 1 34 34 VAL CG2 C 13 21.33 0 . 1 . . . . . 34 VAL CG2 . 50411 1 158 . 1 . 1 34 34 VAL N N 15 121.417 0.13 . 1 . . . . . 34 VAL N . 50411 1 159 . 1 . 1 35 35 GLY H H 1 8.421 0.02 . 1 . . . . . 35 GLY H . 50411 1 160 . 1 . 1 35 35 GLY C C 13 174.56 0.02 . 1 . . . . . 35 GLY C . 50411 1 161 . 1 . 1 35 35 GLY CA C 13 48.053 0.19 . 1 . . . . . 35 GLY CA . 50411 1 162 . 1 . 1 35 35 GLY N N 15 103.93 0.08 . 1 . . . . . 35 GLY N . 50411 1 163 . 1 . 1 36 36 THR H H 1 7.947 0.02 . 1 . . . . . 36 THR H . 50411 1 164 . 1 . 1 36 36 THR C C 13 174.928 0.13 . 1 . . . . . 36 THR C . 50411 1 165 . 1 . 1 36 36 THR CA C 13 68.661 0.1 . 1 . . . . . 36 THR CA . 50411 1 166 . 1 . 1 36 36 THR N N 15 120.462 0.11 . 1 . . . . . 36 THR N . 50411 1 167 . 1 . 1 37 37 ILE H H 1 7.342 0.02 . 1 . . . . . 37 ILE H . 50411 1 168 . 1 . 1 37 37 ILE C C 13 178.09 0.14 . 1 . . . . . 37 ILE C . 50411 1 169 . 1 . 1 37 37 ILE CA C 13 65.535 0.17 . 1 . . . . . 37 ILE CA . 50411 1 170 . 1 . 1 37 37 ILE CB C 13 38.01 0 . 1 . . . . . 37 ILE CB . 50411 1 171 . 1 . 1 37 37 ILE N N 15 118.524 0.04 . 1 . . . . . 37 ILE N . 50411 1 172 . 1 . 1 38 38 ILE H H 1 8.038 0.03 . 1 . . . . . 38 ILE H . 50411 1 173 . 1 . 1 38 38 ILE C C 13 177.881 0.38 . 1 . . . . . 38 ILE C . 50411 1 174 . 1 . 1 38 38 ILE CA C 13 65.814 0.07 . 1 . . . . . 38 ILE CA . 50411 1 175 . 1 . 1 38 38 ILE CB C 13 37.722 0 . 1 . . . . . 38 ILE CB . 50411 1 176 . 1 . 1 38 38 ILE N N 15 118.69 0.12 . 1 . . . . . 38 ILE N . 50411 1 177 . 1 . 1 39 39 CYS H H 1 7.819 0.03 . 1 . . . . . 39 CYS H . 50411 1 178 . 1 . 1 39 39 CYS C C 13 177.204 0.07 . 1 . . . . . 39 CYS C . 50411 1 179 . 1 . 1 39 39 CYS CA C 13 65.336 0.05 . 1 . . . . . 39 CYS CA . 50411 1 180 . 1 . 1 39 39 CYS CB C 13 26.316 0 . 1 . . . . . 39 CYS CB . 50411 1 181 . 1 . 1 39 39 CYS N N 15 116.055 0.2 . 1 . . . . . 39 CYS N . 50411 1 182 . 1 . 1 40 40 TYR H H 1 8.599 0.02 . 1 . . . . . 40 TYR H . 50411 1 183 . 1 . 1 40 40 TYR C C 13 178.518 0 . 1 . . . . . 40 TYR C . 50411 1 184 . 1 . 1 40 40 TYR CA C 13 57.744 0 . 1 . . . . . 40 TYR CA . 50411 1 185 . 1 . 1 40 40 TYR N N 15 119.178 0.03 . 1 . . . . . 40 TYR N . 50411 1 186 . 1 . 1 42 42 ALA C C 13 178.424 0 . 1 . . . . . 42 ALA C . 50411 1 187 . 1 . 1 42 42 ALA CA C 13 55.278 0 . 1 . . . . . 42 ALA CA . 50411 1 188 . 1 . 1 43 43 SER H H 1 8.225 0.02 . 1 . . . . . 43 SER H . 50411 1 189 . 1 . 1 43 43 SER C C 13 177.022 0.09 . 1 . . . . . 43 SER C . 50411 1 190 . 1 . 1 43 43 SER CA C 13 62.832 0.12 . 1 . . . . . 43 SER CA . 50411 1 191 . 1 . 1 43 43 SER N N 15 112.157 0.09 . 1 . . . . . 43 SER N . 50411 1 192 . 1 . 1 48 48 ALA C C 13 180.292 0 . 1 . . . . . 48 ALA C . 50411 1 193 . 1 . 1 48 48 ALA CA C 13 55.364 0 . 1 . . . . . 48 ALA CA . 50411 1 194 . 1 . 1 49 49 GLN H H 1 6.913 0.02 . 1 . . . . . 49 GLN H . 50411 1 195 . 1 . 1 49 49 GLN C C 13 177.545 0 . 1 . . . . . 49 GLN C . 50411 1 196 . 1 . 1 49 49 GLN CA C 13 55.98 0.07 . 1 . . . . . 49 GLN CA . 50411 1 197 . 1 . 1 49 49 GLN CB C 13 26.448 0 . 1 . . . . . 49 GLN CB . 50411 1 198 . 1 . 1 49 49 GLN CG C 13 31.495 0 . 1 . . . . . 49 GLN CG . 50411 1 199 . 1 . 1 49 49 GLN N N 15 113.415 0.16 . 1 . . . . . 49 GLN N . 50411 1 200 . 1 . 1 51 51 LEU C C 13 176.198 0 . 1 . . . . . 51 LEU C . 50411 1 201 . 1 . 1 51 51 LEU CA C 13 55.882 0 . 1 . . . . . 51 LEU CA . 50411 1 202 . 1 . 1 52 52 ALA H H 1 6.655 0.01 . 1 . . . . . 52 ALA H . 50411 1 203 . 1 . 1 52 52 ALA C C 13 177.804 0.19 . 1 . . . . . 52 ALA C . 50411 1 204 . 1 . 1 52 52 ALA CA C 13 53.114 0.12 . 1 . . . . . 52 ALA CA . 50411 1 205 . 1 . 1 52 52 ALA CB C 13 17.373 0.13 . 1 . . . . . 52 ALA CB . 50411 1 206 . 1 . 1 52 52 ALA N N 15 118.336 0.21 . 1 . . . . . 52 ALA N . 50411 1 207 . 1 . 1 53 53 TYR H H 1 7.241 0.03 . 1 . . . . . 53 TYR H . 50411 1 208 . 1 . 1 53 53 TYR C C 13 174.819 0.02 . 1 . . . . . 53 TYR C . 50411 1 209 . 1 . 1 53 53 TYR CA C 13 57.867 0.08 . 1 . . . . . 53 TYR CA . 50411 1 210 . 1 . 1 53 53 TYR CB C 13 42.274 0 . 1 . . . . . 53 TYR CB . 50411 1 211 . 1 . 1 53 53 TYR CG C 13 129.613 0 . 1 . . . . . 53 TYR CG . 50411 1 212 . 1 . 1 53 53 TYR CE1 C 13 118.278 0 . 1 . . . . . 53 TYR CE1 . 50411 1 213 . 1 . 1 53 53 TYR N N 15 112.428 0.15 . 1 . . . . . 53 TYR N . 50411 1 214 . 1 . 1 55 55 PRO C C 13 177.786 0 . 1 . . . . . 55 PRO C . 50411 1 215 . 1 . 1 55 55 PRO CA C 13 62.613 0 . 1 . . . . . 55 PRO CA . 50411 1 216 . 1 . 1 56 56 THR H H 1 8.231 0.01 . 1 . . . . . 56 THR H . 50411 1 217 . 1 . 1 56 56 THR C C 13 175.881 0.12 . 1 . . . . . 56 THR C . 50411 1 218 . 1 . 1 56 56 THR CA C 13 66.164 0.07 . 1 . . . . . 56 THR CA . 50411 1 219 . 1 . 1 56 56 THR CB C 13 68.313 0 . 1 . . . . . 56 THR CB . 50411 1 220 . 1 . 1 56 56 THR CG2 C 13 21.797 0 . 1 . . . . . 56 THR CG . 50411 1 221 . 1 . 1 56 56 THR N N 15 119.148 0.12 . 1 . . . . . 56 THR N . 50411 1 222 . 1 . 1 57 57 GLY H H 1 8.667 0.01 . 1 . . . . . 57 GLY H . 50411 1 223 . 1 . 1 57 57 GLY C C 13 176.007 0.02 . 1 . . . . . 57 GLY C . 50411 1 224 . 1 . 1 57 57 GLY CA C 13 46.849 0.02 . 1 . . . . . 57 GLY CA . 50411 1 225 . 1 . 1 57 57 GLY N N 15 106.834 0.04 . 1 . . . . . 57 GLY N . 50411 1 226 . 1 . 1 58 58 ILE H H 1 6.562 0.01 . 1 . . . . . 58 ILE H . 50411 1 227 . 1 . 1 58 58 ILE C C 13 177.163 0.06 . 1 . . . . . 58 ILE C . 50411 1 228 . 1 . 1 58 58 ILE CA C 13 64.271 0.09 . 1 . . . . . 58 ILE CA . 50411 1 229 . 1 . 1 58 58 ILE CB C 13 36.76 0 . 1 . . . . . 58 ILE CB . 50411 1 230 . 1 . 1 58 58 ILE CG1 C 13 28.915 0 . 1 . . . . . 58 ILE CG1 . 50411 1 231 . 1 . 1 58 58 ILE CD1 C 13 17.381 0 . 1 . . . . . 58 ILE CD1 . 50411 1 232 . 1 . 1 58 58 ILE N N 15 119.84 0.16 . 1 . . . . . 58 ILE N . 50411 1 233 . 1 . 1 59 59 ALA H H 1 7.233 0.01 . 1 . . . . . 59 ALA H . 50411 1 234 . 1 . 1 59 59 ALA C C 13 177.971 0.03 . 1 . . . . . 59 ALA C . 50411 1 235 . 1 . 1 59 59 ALA CA C 13 55.523 0.1 . 1 . . . . . 59 ALA CA . 50411 1 236 . 1 . 1 59 59 ALA N N 15 120.073 0.05 . 1 . . . . . 59 ALA N . 50411 1 237 . 1 . 1 60 60 TYR H H 1 8.574 0.02 . 1 . . . . . 60 TYR H . 50411 1 238 . 1 . 1 60 60 TYR C C 13 177.628 0.03 . 1 . . . . . 60 TYR C . 50411 1 239 . 1 . 1 60 60 TYR CA C 13 60.776 0.14 . 1 . . . . . 60 TYR CA . 50411 1 240 . 1 . 1 60 60 TYR CB C 13 37.327 0 . 1 . . . . . 60 TYR CB . 50411 1 241 . 1 . 1 60 60 TYR CG C 13 131.725 0 . 1 . . . . . 60 TYR CG . 50411 1 242 . 1 . 1 60 60 TYR N N 15 117.167 0.06 . 1 . . . . . 60 TYR N . 50411 1 243 . 1 . 1 61 61 ALA H H 1 7.711 0.03 . 1 . . . . . 61 ALA H . 50411 1 244 . 1 . 1 61 61 ALA C C 13 179.053 0.08 . 1 . . . . . 61 ALA C . 50411 1 245 . 1 . 1 61 61 ALA CA C 13 55.508 0.07 . 1 . . . . . 61 ALA CA . 50411 1 246 . 1 . 1 61 61 ALA N N 15 117.842 0.16 . 1 . . . . . 61 ALA N . 50411 1 247 . 1 . 1 62 62 ILE H H 1 7.729 0.01 . 1 . . . . . 62 ILE H . 50411 1 248 . 1 . 1 62 62 ILE C C 13 176.642 0.08 . 1 . . . . . 62 ILE C . 50411 1 249 . 1 . 1 62 62 ILE CA C 13 65.516 0.08 . 1 . . . . . 62 ILE CA . 50411 1 250 . 1 . 1 62 62 ILE CB C 13 38.199 0 . 1 . . . . . 62 ILE CB . 50411 1 251 . 1 . 1 62 62 ILE CG1 C 13 22.634 7.59 . 1 . . . . . 62 ILE CG1 . 50411 1 252 . 1 . 1 62 62 ILE CG2 C 13 17.186 0 . 1 . . . . . 62 ILE CG2 . 50411 1 253 . 1 . 1 62 62 ILE N N 15 114.655 0.12 . 1 . . . . . 62 ILE N . 50411 1 254 . 1 . 1 63 63 TRP H H 1 8.465 0.01 . 1 . . . . . 63 TRP H . 50411 1 255 . 1 . 1 63 63 TRP HE1 H 1 11.453 0 . 1 . . . . . 63 TRP HE1 . 50411 1 256 . 1 . 1 63 63 TRP C C 13 180.517 0 . 1 . . . . . 63 TRP C . 50411 1 257 . 1 . 1 63 63 TRP CA C 13 59.863 0.05 . 1 . . . . . 63 TRP CA . 50411 1 258 . 1 . 1 63 63 TRP CB C 13 28.031 0 . 1 . . . . . 63 TRP CB . 50411 1 259 . 1 . 1 63 63 TRP CG C 13 113.249 0 . 1 . . . . . 63 TRP CG . 50411 1 260 . 1 . 1 63 63 TRP N N 15 121.643 0.08 . 1 . . . . . 63 TRP N . 50411 1 261 . 1 . 1 63 63 TRP NE1 N 15 132.269 0 . 1 . . . . . 63 TRP NE1 . 50411 1 262 . 1 . 1 64 64 VAL C C 13 177.55 0 . 1 . . . . . 64 VAL C . 50411 1 263 . 1 . 1 65 65 GLY H H 1 7.692 0.03 . 1 . . . . . 65 GLY H . 50411 1 264 . 1 . 1 65 65 GLY C C 13 173.595 0 . 1 . . . . . 65 GLY C . 50411 1 265 . 1 . 1 65 65 GLY CA C 13 47.772 0 . 1 . . . . . 65 GLY CA . 50411 1 266 . 1 . 1 65 65 GLY N N 15 103.531 0.06 . 1 . . . . . 65 GLY N . 50411 1 267 . 1 . 1 66 66 VAL C C 13 178.119 0 . 1 . . . . . 66 VAL C . 50411 1 268 . 1 . 1 66 66 VAL CA C 13 65.667 0 . 1 . . . . . 66 VAL CA . 50411 1 269 . 1 . 1 67 67 GLY H H 1 9.004 0.01 . 1 . . . . . 67 GLY H . 50411 1 270 . 1 . 1 67 67 GLY C C 13 175.976 0.07 . 1 . . . . . 67 GLY C . 50411 1 271 . 1 . 1 67 67 GLY CA C 13 47.114 0.06 . 1 . . . . . 67 GLY CA . 50411 1 272 . 1 . 1 67 67 GLY N N 15 110.106 0.04 . 1 . . . . . 67 GLY N . 50411 1 273 . 1 . 1 68 68 ILE H H 1 8.214 0.01 . 1 . . . . . 68 ILE H . 50411 1 274 . 1 . 1 68 68 ILE C C 13 179.088 0 . 1 . . . . . 68 ILE C . 50411 1 275 . 1 . 1 68 68 ILE CA C 13 65.632 0 . 1 . . . . . 68 ILE CA . 50411 1 276 . 1 . 1 68 68 ILE CB C 13 37.938 0 . 1 . . . . . 68 ILE CB . 50411 1 277 . 1 . 1 68 68 ILE N N 15 118.071 0.14 . 1 . . . . . 68 ILE N . 50411 1 278 . 1 . 1 69 69 VAL H H 1 8.594 0.02 . 1 . . . . . 69 VAL H . 50411 1 279 . 1 . 1 69 69 VAL C C 13 177.148 0.18 . 1 . . . . . 69 VAL C . 50411 1 280 . 1 . 1 69 69 VAL CA C 13 67.893 0.2 . 1 . . . . . 69 VAL CA . 50411 1 281 . 1 . 1 69 69 VAL CB C 13 31.209 0 . 1 . . . . . 69 VAL CB . 50411 1 282 . 1 . 1 69 69 VAL CG1 C 13 21.752 0 . 1 . . . . . 69 VAL CG1 . 50411 1 283 . 1 . 1 69 69 VAL N N 15 117.002 0.17 . 1 . . . . . 69 VAL N . 50411 1 284 . 1 . 1 70 70 LEU C C 13 179.435 0 . 1 . . . . . 70 LEU C . 50411 1 285 . 1 . 1 70 70 LEU CA C 13 58.281 0 . 1 . . . . . 70 LEU CA . 50411 1 286 . 1 . 1 71 71 ILE H H 1 9.229 0.01 . 1 . . . . . 71 ILE H . 50411 1 287 . 1 . 1 71 71 ILE C C 13 179.86 0.03 . 1 . . . . . 71 ILE C . 50411 1 288 . 1 . 1 71 71 ILE CA C 13 61.222 0.02 . 1 . . . . . 71 ILE CA . 50411 1 289 . 1 . 1 71 71 ILE N N 15 118.83 0.09 . 1 . . . . . 71 ILE N . 50411 1 290 . 1 . 1 72 72 SER H H 1 7.284 0.01 . 1 . . . . . 72 SER H . 50411 1 291 . 1 . 1 72 72 SER C C 13 177.215 0.07 . 1 . . . . . 72 SER C . 50411 1 292 . 1 . 1 72 72 SER CA C 13 63.272 0.1 . 1 . . . . . 72 SER CA . 50411 1 293 . 1 . 1 72 72 SER CB C 13 62.175 0 . 1 . . . . . 72 SER CB . 50411 1 294 . 1 . 1 72 72 SER N N 15 121.719 0.12 . 1 . . . . . 72 SER N . 50411 1 295 . 1 . 1 73 73 LEU H H 1 8.532 0 . 1 . . . . . 73 LEU H . 50411 1 296 . 1 . 1 73 73 LEU C C 13 178.686 0.04 . 1 . . . . . 73 LEU C . 50411 1 297 . 1 . 1 73 73 LEU CA C 13 58.17 0.14 . 1 . . . . . 73 LEU CA . 50411 1 298 . 1 . 1 73 73 LEU CB C 13 42.087 0 . 1 . . . . . 73 LEU CB . 50411 1 299 . 1 . 1 73 73 LEU N N 15 122.468 2.49 . 1 . . . . . 73 LEU N . 50411 1 300 . 1 . 1 74 74 LEU H H 1 8.657 0.03 . 1 . . . . . 74 LEU H . 50411 1 301 . 1 . 1 74 74 LEU C C 13 179.048 0.05 . 1 . . . . . 74 LEU C . 50411 1 302 . 1 . 1 74 74 LEU CA C 13 58.324 0.09 . 1 . . . . . 74 LEU CA . 50411 1 303 . 1 . 1 74 74 LEU CB C 13 41.748 0 . 1 . . . . . 74 LEU CB . 50411 1 304 . 1 . 1 74 74 LEU N N 15 118.355 0.08 . 1 . . . . . 74 LEU N . 50411 1 305 . 1 . 1 75 75 SER H H 1 8.018 0.02 . 1 . . . . . 75 SER H . 50411 1 306 . 1 . 1 75 75 SER C C 13 177.257 0.03 . 1 . . . . . 75 SER C . 50411 1 307 . 1 . 1 75 75 SER CA C 13 62.255 0.08 . 1 . . . . . 75 SER CA . 50411 1 308 . 1 . 1 75 75 SER CB C 13 62.902 0 . 1 . . . . . 75 SER CB . 50411 1 309 . 1 . 1 75 75 SER N N 15 114.288 0.05 . 1 . . . . . 75 SER N . 50411 1 310 . 1 . 1 76 76 TRP H H 1 7.588 0.02 . 1 . . . . . 76 TRP H . 50411 1 311 . 1 . 1 76 76 TRP C C 13 177.776 0 . 1 . . . . . 76 TRP C . 50411 1 312 . 1 . 1 76 76 TRP CA C 13 58.615 0.29 . 1 . . . . . 76 TRP CA . 50411 1 313 . 1 . 1 76 76 TRP CB C 13 28.302 0 . 1 . . . . . 76 TRP CB . 50411 1 314 . 1 . 1 76 76 TRP N N 15 125.615 0.15 . 1 . . . . . 76 TRP N . 50411 1 315 . 1 . 1 77 77 GLY H H 1 7.947 0.03 . 1 . . . . . 77 GLY H . 50411 1 316 . 1 . 1 77 77 GLY C C 13 173.041 0.09 . 1 . . . . . 77 GLY C . 50411 1 317 . 1 . 1 77 77 GLY CA C 13 47.711 0.18 . 1 . . . . . 77 GLY CA . 50411 1 318 . 1 . 1 77 77 GLY N N 15 102.96 0.13 . 1 . . . . . 77 GLY N . 50411 1 319 . 1 . 1 78 78 PHE H H 1 8.118 0.02 . 1 . . . . . 78 PHE H . 50411 1 320 . 1 . 1 78 78 PHE C C 13 176.76 0.02 . 1 . . . . . 78 PHE C . 50411 1 321 . 1 . 1 78 78 PHE CA C 13 60.845 0.19 . 1 . . . . . 78 PHE CA . 50411 1 322 . 1 . 1 78 78 PHE N N 15 112.184 0.06 . 1 . . . . . 78 PHE N . 50411 1 323 . 1 . 1 79 79 PHE H H 1 6.475 0.02 . 1 . . . . . 79 PHE H . 50411 1 324 . 1 . 1 79 79 PHE C C 13 176.469 0.05 . 1 . . . . . 79 PHE C . 50411 1 325 . 1 . 1 79 79 PHE CA C 13 55.579 0.08 . 1 . . . . . 79 PHE CA . 50411 1 326 . 1 . 1 79 79 PHE N N 15 110.781 0.21 . 1 . . . . . 79 PHE N . 50411 1 327 . 1 . 1 80 80 GLY H H 1 7.355 0.01 . 1 . . . . . 80 GLY H . 50411 1 328 . 1 . 1 80 80 GLY C C 13 174.646 0.11 . 1 . . . . . 80 GLY C . 50411 1 329 . 1 . 1 80 80 GLY CA C 13 46.4 0.17 . 1 . . . . . 80 GLY CA . 50411 1 330 . 1 . 1 80 80 GLY N N 15 109.323 0.06 . 1 . . . . . 80 GLY N . 50411 1 331 . 1 . 1 81 81 GLN H H 1 7.169 0.02 . 1 . . . . . 81 GLN H . 50411 1 332 . 1 . 1 81 81 GLN C C 13 174.607 0.09 . 1 . . . . . 81 GLN C . 50411 1 333 . 1 . 1 81 81 GLN CA C 13 56.437 0.04 . 1 . . . . . 81 GLN CA . 50411 1 334 . 1 . 1 81 81 GLN N N 15 118.534 0.08 . 1 . . . . . 81 GLN N . 50411 1 335 . 1 . 1 82 82 ARG H H 1 7.994 0.02 . 1 . . . . . 82 ARG H . 50411 1 336 . 1 . 1 82 82 ARG C C 13 175.478 0.42 . 1 . . . . . 82 ARG C . 50411 1 337 . 1 . 1 82 82 ARG CA C 13 54.946 0.08 . 1 . . . . . 82 ARG CA . 50411 1 338 . 1 . 1 82 82 ARG CB C 13 31.319 0 . 1 . . . . . 82 ARG CB . 50411 1 339 . 1 . 1 82 82 ARG CG C 13 27.678 0 . 1 . . . . . 82 ARG CG . 50411 1 340 . 1 . 1 82 82 ARG CD C 13 43.593 0 . 1 . . . . . 82 ARG CD . 50411 1 341 . 1 . 1 82 82 ARG N N 15 126.262 0.14 . 1 . . . . . 82 ARG N . 50411 1 342 . 1 . 1 83 83 LEU C C 13 174.501 0 . 1 . . . . . 83 LEU C . 50411 1 343 . 1 . 1 83 83 LEU CA C 13 52.948 0 . 1 . . . . . 83 LEU CA . 50411 1 344 . 1 . 1 84 84 ASP H H 1 6.887 0.03 . 1 . . . . . 84 ASP H . 50411 1 345 . 1 . 1 84 84 ASP C C 13 175.209 0.07 . 1 . . . . . 84 ASP C . 50411 1 346 . 1 . 1 84 84 ASP CA C 13 50.66 0.12 . 1 . . . . . 84 ASP CA . 50411 1 347 . 1 . 1 84 84 ASP N N 15 117.252 0.12 . 1 . . . . . 84 ASP N . 50411 1 348 . 1 . 1 85 85 LEU H H 1 8.485 0.01 . 1 . . . . . 85 LEU H . 50411 1 349 . 1 . 1 85 85 LEU C C 13 175.602 0 . 1 . . . . . 85 LEU C . 50411 1 350 . 1 . 1 85 85 LEU CA C 13 59.391 0 . 1 . . . . . 85 LEU CA . 50411 1 351 . 1 . 1 85 85 LEU N N 15 118.471 0.1 . 1 . . . . . 85 LEU N . 50411 1 352 . 1 . 1 86 86 PRO C C 13 177.559 0 . 1 . . . . . 86 PRO C . 50411 1 353 . 1 . 1 86 86 PRO CA C 13 66.473 0 . 1 . . . . . 86 PRO CA . 50411 1 354 . 1 . 1 87 87 ALA H H 1 7.285 0.03 . 1 . . . . . 87 ALA H . 50411 1 355 . 1 . 1 87 87 ALA C C 13 179.148 0.08 . 1 . . . . . 87 ALA C . 50411 1 356 . 1 . 1 87 87 ALA CA C 13 55.683 0.09 . 1 . . . . . 87 ALA CA . 50411 1 357 . 1 . 1 87 87 ALA CB C 13 17.575 0 . 1 . . . . . 87 ALA CB . 50411 1 358 . 1 . 1 87 87 ALA N N 15 117.076 0.12 . 1 . . . . . 87 ALA N . 50411 1 359 . 1 . 1 88 88 ILE H H 1 7.633 0.01 . 1 . . . . . 88 ILE H . 50411 1 360 . 1 . 1 88 88 ILE C C 13 178.155 0 . 1 . . . . . 88 ILE C . 50411 1 361 . 1 . 1 88 88 ILE CA C 13 64.459 0.08 . 1 . . . . . 88 ILE CA . 50411 1 362 . 1 . 1 88 88 ILE CB C 13 37.486 0 . 1 . . . . . 88 ILE CB . 50411 1 363 . 1 . 1 88 88 ILE N N 15 117.221 0.02 . 1 . . . . . 88 ILE N . 50411 1 364 . 1 . 1 89 89 ILE C C 13 178.424 0 . 1 . . . . . 89 ILE C . 50411 1 365 . 1 . 1 89 89 ILE CA C 13 64.636 0 . 1 . . . . . 89 ILE CA . 50411 1 366 . 1 . 1 90 90 GLY H H 1 8.466 0.01 . 1 . . . . . 90 GLY H . 50411 1 367 . 1 . 1 90 90 GLY C C 13 175.996 0.02 . 1 . . . . . 90 GLY C . 50411 1 368 . 1 . 1 90 90 GLY CA C 13 47.63 0.15 . 1 . . . . . 90 GLY CA . 50411 1 369 . 1 . 1 90 90 GLY N N 15 107.357 0.08 . 1 . . . . . 90 GLY N . 50411 1 370 . 1 . 1 91 91 MET H H 1 8.584 0.01 . 1 . . . . . 91 MET H . 50411 1 371 . 1 . 1 91 91 MET C C 13 178.094 0.21 . 1 . . . . . 91 MET C . 50411 1 372 . 1 . 1 91 91 MET CA C 13 60.32 0.17 . 1 . . . . . 91 MET CA . 50411 1 373 . 1 . 1 91 91 MET CB C 13 32.714 0 . 1 . . . . . 91 MET CB . 50411 1 374 . 1 . 1 91 91 MET N N 15 120.494 0.09 . 1 . . . . . 91 MET N . 50411 1 375 . 1 . 1 92 92 MET H H 1 8.272 0.01 . 1 . . . . . 92 MET H . 50411 1 376 . 1 . 1 92 92 MET C C 13 178.304 0 . 1 . . . . . 92 MET C . 50411 1 377 . 1 . 1 92 92 MET CA C 13 59.947 0 . 1 . . . . . 92 MET CA . 50411 1 378 . 1 . 1 92 92 MET CB C 13 32.911 0 . 1 . . . . . 92 MET CB . 50411 1 379 . 1 . 1 92 92 MET N N 15 119.483 0.08 . 1 . . . . . 92 MET N . 50411 1 380 . 1 . 1 96 96 ALA C C 13 178.694 0 . 1 . . . . . 96 ALA C . 50411 1 381 . 1 . 1 96 96 ALA CA C 13 55.07 0 . 1 . . . . . 96 ALA CA . 50411 1 382 . 1 . 1 97 97 GLY H H 1 8.25 0.02 . 1 . . . . . 97 GLY H . 50411 1 383 . 1 . 1 97 97 GLY C C 13 175.002 0.01 . 1 . . . . . 97 GLY C . 50411 1 384 . 1 . 1 97 97 GLY CA C 13 48.514 0.13 . 1 . . . . . 97 GLY CA . 50411 1 385 . 1 . 1 97 97 GLY N N 15 104.721 0.26 . 1 . . . . . 97 GLY N . 50411 1 386 . 1 . 1 102 102 ASN C C 13 176.511 0 . 1 . . . . . 102 ASN C . 50411 1 387 . 1 . 1 102 102 ASN CA C 13 56.154 0 . 1 . . . . . 102 ASN CA . 50411 1 388 . 1 . 1 103 103 LEU H H 1 8.109 0.02 . 1 . . . . . 103 LEU H . 50411 1 389 . 1 . 1 103 103 LEU C C 13 176.954 0.05 . 1 . . . . . 103 LEU C . 50411 1 390 . 1 . 1 103 103 LEU CA C 13 54.735 0.13 . 1 . . . . . 103 LEU CA . 50411 1 391 . 1 . 1 103 103 LEU CB C 13 42.555 0 . 1 . . . . . 103 LEU CB . 50411 1 392 . 1 . 1 103 103 LEU CG C 13 27.061 0 . 1 . . . . . 103 LEU CG . 50411 1 393 . 1 . 1 103 103 LEU CD1 C 13 26.179 0 . 1 . . . . . 103 LEU CD1 . 50411 1 394 . 1 . 1 103 103 LEU N N 15 113.283 0.2 . 1 . . . . . 103 LEU N . 50411 1 395 . 1 . 1 104 104 LEU H H 1 7.266 0.02 . 1 . . . . . 104 LEU H . 50411 1 396 . 1 . 1 104 104 LEU C C 13 176.325 0.2 . 1 . . . . . 104 LEU C . 50411 1 397 . 1 . 1 104 104 LEU CA C 13 54.252 0.2 . 1 . . . . . 104 LEU CA . 50411 1 398 . 1 . 1 104 104 LEU CB C 13 43.713 0 . 1 . . . . . 104 LEU CB . 50411 1 399 . 1 . 1 104 104 LEU CG C 13 26.809 0 . 1 . . . . . 104 LEU CG . 50411 1 400 . 1 . 1 104 104 LEU N N 15 114.466 0.26 . 1 . . . . . 104 LEU N . 50411 1 401 . 1 . 1 105 105 SER H H 1 6.72 0.01 . 1 . . . . . 105 SER H . 50411 1 402 . 1 . 1 105 105 SER C C 13 175.423 0.38 . 1 . . . . . 105 SER C . 50411 1 403 . 1 . 1 105 105 SER CA C 13 57.014 0.02 . 1 . . . . . 105 SER CA . 50411 1 404 . 1 . 1 105 105 SER CB C 13 63.599 0 . 1 . . . . . 105 SER CB . 50411 1 405 . 1 . 1 105 105 SER N N 15 110.786 0.1 . 1 . . . . . 105 SER N . 50411 1 406 . 1 . 1 106 106 ARG H H 1 9.431 0.03 . 1 . . . . . 106 ARG H . 50411 1 407 . 1 . 1 106 106 ARG CA C 13 55.815 0 . 1 . . . . . 106 ARG CA . 50411 1 408 . 1 . 1 106 106 ARG N N 15 127.5 0.02 . 1 . . . . . 106 ARG N . 50411 1 409 . 2 . 1 3 3 PRO C C 13 177.785 0 . 1 . . . . . 3 PRO C . 50411 1 410 . 2 . 1 3 3 PRO CA C 13 64.223 0 . 1 . . . . . 3 PRO CA . 50411 1 411 . 2 . 1 4 4 TYR H H 1 7.879 0.01 . 1 . . . . . 4 TYR H . 50411 1 412 . 2 . 1 4 4 TYR C C 13 178.237 0.06 . 1 . . . . . 4 TYR C . 50411 1 413 . 2 . 1 4 4 TYR CA C 13 62.321 0.13 . 1 . . . . . 4 TYR CA . 50411 1 414 . 2 . 1 4 4 TYR N N 15 115.561 0.04 . 1 . . . . . 4 TYR N . 50411 1 415 . 2 . 1 5 5 ILE H H 1 7.448 0.01 . 1 . . . . . 5 ILE H . 50411 1 416 . 2 . 1 5 5 ILE C C 13 177.966 0.01 . 1 . . . . . 5 ILE C . 50411 1 417 . 2 . 1 5 5 ILE CA C 13 64.513 0.1 . 1 . . . . . 5 ILE CA . 50411 1 418 . 2 . 1 5 5 ILE CB C 13 36.546 0 . 1 . . . . . 5 ILE CB . 50411 1 419 . 2 . 1 5 5 ILE N N 15 120.838 0.11 . 1 . . . . . 5 ILE N . 50411 1 420 . 2 . 1 6 6 TYR H H 1 6.163 0.03 . 1 . . . . . 6 TYR H . 50411 1 421 . 2 . 1 6 6 TYR C C 13 178.187 0 . 1 . . . . . 6 TYR C . 50411 1 422 . 2 . 1 6 6 TYR CA C 13 60.334 0 . 1 . . . . . 6 TYR CA . 50411 1 423 . 2 . 1 6 6 TYR N N 15 116.94 0.1 . 1 . . . . . 6 TYR N . 50411 1 424 . 2 . 1 7 7 LEU C C 13 177.947 0 . 1 . . . . . 7 LEU C . 50411 1 425 . 2 . 1 7 7 LEU CA C 13 57.592 0 . 1 . . . . . 7 LEU CA . 50411 1 426 . 2 . 1 8 8 GLY H H 1 8.477 0.01 . 1 . . . . . 8 GLY H . 50411 1 427 . 2 . 1 8 8 GLY C C 13 174.714 0.03 . 1 . . . . . 8 GLY C . 50411 1 428 . 2 . 1 8 8 GLY CA C 13 47.433 0.03 . 1 . . . . . 8 GLY CA . 50411 1 429 . 2 . 1 8 8 GLY N N 15 103.432 0.04 . 1 . . . . . 8 GLY N . 50411 1 430 . 2 . 1 9 9 GLY H H 1 8.111 0.02 . 1 . . . . . 9 GLY H . 50411 1 431 . 2 . 1 9 9 GLY C C 13 173.418 0.03 . 1 . . . . . 9 GLY C . 50411 1 432 . 2 . 1 9 9 GLY CA C 13 47.293 0.1 . 1 . . . . . 9 GLY CA . 50411 1 433 . 2 . 1 9 9 GLY N N 15 107.561 0.13 . 1 . . . . . 9 GLY N . 50411 1 434 . 2 . 1 10 10 ALA H H 1 8.027 0.03 . 1 . . . . . 10 ALA H . 50411 1 435 . 2 . 1 10 10 ALA C C 13 180.325 0 . 1 . . . . . 10 ALA C . 50411 1 436 . 2 . 1 10 10 ALA CA C 13 55.245 0.01 . 1 . . . . . 10 ALA CA . 50411 1 437 . 2 . 1 10 10 ALA CB C 13 17.888 0 . 1 . . . . . 10 ALA CB . 50411 1 438 . 2 . 1 10 10 ALA N N 15 124.835 0.08 . 1 . . . . . 10 ALA N . 50411 1 439 . 2 . 1 13 13 ALA C C 13 179.216 0 . 1 . . . . . 13 ALA C . 50411 1 440 . 2 . 1 13 13 ALA CA C 13 55.557 0 . 1 . . . . . 13 ALA CA . 50411 1 441 . 2 . 1 14 14 GLU H H 1 7.423 0.01 . 1 . . . . . 14 GLU H . 50411 1 442 . 2 . 1 14 14 GLU C C 13 177.916 0 . 1 . . . . . 14 GLU C . 50411 1 443 . 2 . 1 14 14 GLU CA C 13 59.245 0.06 . 1 . . . . . 14 GLU CA . 50411 1 444 . 2 . 1 14 14 GLU CB C 13 28.508 0 . 1 . . . . . 14 GLU CB . 50411 1 445 . 2 . 1 14 14 GLU CG C 13 33.915 0 . 1 . . . . . 14 GLU CG . 50411 1 446 . 2 . 1 14 14 GLU N N 15 118.506 0.22 . 1 . . . . . 14 GLU N . 50411 1 447 . 2 . 1 16 16 ILE C C 13 178.17 0 . 1 . . . . . 16 ILE C . 50411 1 448 . 2 . 1 16 16 ILE CA C 13 64.651 0 . 1 . . . . . 16 ILE CA . 50411 1 449 . 2 . 1 17 17 GLY H H 1 8.354 0.02 . 1 . . . . . 17 GLY H . 50411 1 450 . 2 . 1 17 17 GLY C C 13 173.99 0.37 . 1 . . . . . 17 GLY C . 50411 1 451 . 2 . 1 17 17 GLY CA C 13 47.402 0.25 . 1 . . . . . 17 GLY CA . 50411 1 452 . 2 . 1 17 17 GLY N N 15 108.655 0.3 . 1 . . . . . 17 GLY N . 50411 1 453 . 2 . 1 18 18 THR H H 1 8.986 0.02 . 1 . . . . . 18 THR H . 50411 1 454 . 2 . 1 18 18 THR C C 13 178.048 0 . 1 . . . . . 18 THR C . 50411 1 455 . 2 . 1 18 18 THR CA C 13 66.811 0.05 . 1 . . . . . 18 THR CA . 50411 1 456 . 2 . 1 18 18 THR CB C 13 68.038 0 . 1 . . . . . 18 THR CB . 50411 1 457 . 2 . 1 18 18 THR CG2 C 13 23.123 0 . 1 . . . . . 18 THR CG . 50411 1 458 . 2 . 1 18 18 THR N N 15 122.751 0.13 . 1 . . . . . 18 THR N . 50411 1 459 . 2 . 1 20 20 LEU C C 13 178.966 0 . 1 . . . . . 20 LEU C . 50411 1 460 . 2 . 1 20 20 LEU CA C 13 58.135 0 . 1 . . . . . 20 LEU CA . 50411 1 461 . 2 . 1 21 21 MET H H 1 8.112 0.01 . 1 . . . . . 21 MET H . 50411 1 462 . 2 . 1 21 21 MET C C 13 181.075 0.04 . 1 . . . . . 21 MET C . 50411 1 463 . 2 . 1 21 21 MET CA C 13 59.18 0.05 . 1 . . . . . 21 MET CA . 50411 1 464 . 2 . 1 21 21 MET CB C 13 31.156 0 . 1 . . . . . 21 MET CB . 50411 1 465 . 2 . 1 21 21 MET N N 15 120.575 0.04 . 1 . . . . . 21 MET N . 50411 1 466 . 2 . 1 22 22 LYS H H 1 7.276 0.01 . 1 . . . . . 22 LYS H . 50411 1 467 . 2 . 1 22 22 LYS CA C 13 58.688 0 . 1 . . . . . 22 LYS CA . 50411 1 468 . 2 . 1 22 22 LYS N N 15 122.732 0.12 . 1 . . . . . 22 LYS N . 50411 1 469 . 2 . 1 25 25 GLU C C 13 178.096 0 . 1 . . . . . 25 GLU C . 50411 1 470 . 2 . 1 25 25 GLU CA C 13 55.929 0 . 1 . . . . . 25 GLU CA . 50411 1 471 . 2 . 1 26 26 GLY H H 1 9.163 0.04 . 1 . . . . . 26 GLY H . 50411 1 472 . 2 . 1 26 26 GLY C C 13 174.457 0.08 . 1 . . . . . 26 GLY C . 50411 1 473 . 2 . 1 26 26 GLY CA C 13 46.783 0 . 1 . . . . . 26 GLY Ca . 50411 1 474 . 2 . 1 26 26 GLY N N 15 113.084 0.16 . 1 . . . . . 26 GLY N . 50411 1 475 . 2 . 1 27 27 PHE C C 13 173.618 0 . 1 . . . . . 27 PHE C . 50411 1 476 . 2 . 1 28 28 THR H H 1 7.212 0.01 . 1 . . . . . 28 THR H . 50411 1 477 . 2 . 1 28 28 THR CA C 13 61.811 0 . 1 . . . . . 28 THR CA . 50411 1 478 . 2 . 1 28 28 THR N N 15 100.977 0.05 . 1 . . . . . 28 THR N . 50411 1 479 . 2 . 1 29 29 ARG C C 13 177.807 0 . 1 . . . . . 29 ARG C . 50411 1 480 . 2 . 1 29 29 ARG CA C 13 54.112 0 . 1 . . . . . 29 ARG CA . 50411 1 481 . 2 . 1 30 30 LEU H H 1 8.835 0.01 . 1 . . . . . 30 LEU H . 50411 1 482 . 2 . 1 30 30 LEU C C 13 177.081 0 . 1 . . . . . 30 LEU C . 50411 1 483 . 2 . 1 30 30 LEU CA C 13 59.736 0.12 . 1 . . . . . 30 LEU CA . 50411 1 484 . 2 . 1 30 30 LEU N N 15 130.307 0.06 . 1 . . . . . 30 LEU N . 50411 1 485 . 2 . 1 31 31 TRP H H 1 9.079 0.02 . 1 . . . . . 31 TRP H . 50411 1 486 . 2 . 1 31 31 TRP C C 13 177.221 0 . 1 . . . . . 31 TRP C . 50411 1 487 . 2 . 1 31 31 TRP CA C 13 61.371 0 . 1 . . . . . 31 TRP CA . 50411 1 488 . 2 . 1 31 31 TRP N N 15 118.447 0.09 . 1 . . . . . 31 TRP N . 50411 1 489 . 2 . 1 32 32 PRO C C 13 179.674 0 . 1 . . . . . 32 PRO C . 50411 1 490 . 2 . 1 32 32 PRO CA C 13 65.41 0 . 1 . . . . . 32 PRO CA . 50411 1 491 . 2 . 1 33 33 SER H H 1 6.925 0.02 . 1 . . . . . 33 SER H . 50411 1 492 . 2 . 1 33 33 SER C C 13 174.993 0.06 . 1 . . . . . 33 SER C . 50411 1 493 . 2 . 1 33 33 SER CA C 13 63.751 0.13 . 1 . . . . . 33 SER CA . 50411 1 494 . 2 . 1 33 33 SER CB C 13 61.991 0 . 1 . . . . . 33 SER CB . 50411 1 495 . 2 . 1 33 33 SER N N 15 115.292 0.22 . 1 . . . . . 33 SER N . 50411 1 496 . 2 . 1 34 34 VAL H H 1 8.09 0.03 . 1 . . . . . 34 VAL H . 50411 1 497 . 2 . 1 34 34 VAL C C 13 178.291 0 . 1 . . . . . 34 VAL C . 50411 1 498 . 2 . 1 34 34 VAL CA C 13 66.621 0.06 . 1 . . . . . 34 VAL CA . 50411 1 499 . 2 . 1 34 34 VAL N N 15 121.328 0.09 . 1 . . . . . 34 VAL N . 50411 1 500 . 2 . 1 35 35 GLY H H 1 8.428 0.02 . 1 . . . . . 35 GLY H . 50411 1 501 . 2 . 1 35 35 GLY C C 13 174.539 0.04 . 1 . . . . . 35 GLY C . 50411 1 502 . 2 . 1 35 35 GLY CA C 13 48.031 0.23 . 1 . . . . . 35 GLY CA . 50411 1 503 . 2 . 1 35 35 GLY N N 15 103.953 0.05 . 1 . . . . . 35 GLY N . 50411 1 504 . 2 . 1 36 36 THR H H 1 7.943 0.02 . 1 . . . . . 36 THR H . 50411 1 505 . 2 . 1 36 36 THR C C 13 174.949 0.11 . 1 . . . . . 36 THR C . 50411 1 506 . 2 . 1 36 36 THR CA C 13 68.6 0.19 . 1 . . . . . 36 THR CA . 50411 1 507 . 2 . 1 36 36 THR N N 15 120.424 0.03 . 1 . . . . . 36 THR N . 50411 1 508 . 2 . 1 37 37 ILE H H 1 7.428 0.01 . 1 . . . . . 37 ILE H . 50411 1 509 . 2 . 1 37 37 ILE C C 13 178.086 0.14 . 1 . . . . . 37 ILE C . 50411 1 510 . 2 . 1 37 37 ILE CA C 13 65.666 0.06 . 1 . . . . . 37 ILE CA . 50411 1 511 . 2 . 1 37 37 ILE N N 15 118.53 0.04 . 1 . . . . . 37 ILE N . 50411 1 512 . 2 . 1 38 38 ILE H H 1 8.036 0.05 . 1 . . . . . 38 ILE H . 50411 1 513 . 2 . 1 38 38 ILE C C 13 177.892 0.47 . 1 . . . . . 38 ILE C . 50411 1 514 . 2 . 1 38 38 ILE CA C 13 65.71 0.05 . 1 . . . . . 38 ILE CA . 50411 1 515 . 2 . 1 38 38 ILE N N 15 118.671 0.04 . 1 . . . . . 38 ILE N . 50411 1 516 . 2 . 1 39 39 CYS H H 1 7.831 0.03 . 1 . . . . . 39 CYS H . 50411 1 517 . 2 . 1 39 39 CYS C C 13 177.274 0.11 . 1 . . . . . 39 CYS C . 50411 1 518 . 2 . 1 39 39 CYS CA C 13 65.35 0.05 . 1 . . . . . 39 CYS CA . 50411 1 519 . 2 . 1 39 39 CYS CB C 13 26.316 0 . 1 . . . . . 39 CYS CB . 50411 1 520 . 2 . 1 39 39 CYS N N 15 116.063 0.17 . 1 . . . . . 39 CYS N . 50411 1 521 . 2 . 1 40 40 TYR H H 1 8.54 0.02 . 1 . . . . . 40 TYR H . 50411 1 522 . 2 . 1 40 40 TYR C C 13 177.38 0 . 1 . . . . . 40 TYR C . 50411 1 523 . 2 . 1 40 40 TYR CA C 13 57.768 0 . 1 . . . . . 40 TYR CA . 50411 1 524 . 2 . 1 40 40 TYR N N 15 119.21 0.02 . 1 . . . . . 40 TYR N . 50411 1 525 . 2 . 1 42 42 ALA C C 13 178.305 0 . 1 . . . . . 42 ALA C . 50411 1 526 . 2 . 1 42 42 ALA CA C 13 55.323 0 . 1 . . . . . 42 ALA CA . 50411 1 527 . 2 . 1 43 43 SER H H 1 8.015 0.01 . 1 . . . . . 43 SER H . 50411 1 528 . 2 . 1 43 43 SER C C 13 177.51 0.15 . 1 . . . . . 43 SER C . 50411 1 529 . 2 . 1 43 43 SER CA C 13 62.273 0.04 . 1 . . . . . 43 SER CA . 50411 1 530 . 2 . 1 43 43 SER CB C 13 63.315 0 . 1 . . . . . 43 SER CB . 50411 1 531 . 2 . 1 43 43 SER N N 15 110.61 0.14 . 1 . . . . . 43 SER N . 50411 1 532 . 2 . 1 45 45 TRP C C 13 178.547 0 . 1 . . . . . 45 TRP C . 50411 1 533 . 2 . 1 45 45 TRP CA C 13 62.857 0 . 1 . . . . . 45 TRP CA . 50411 1 534 . 2 . 1 46 46 LEU H H 1 8.594 0.03 . 1 . . . . . 46 LEU H . 50411 1 535 . 2 . 1 46 46 LEU C C 13 180.135 0.04 . 1 . . . . . 46 LEU C . 50411 1 536 . 2 . 1 46 46 LEU CA C 13 58.077 0.07 . 1 . . . . . 46 LEU CA . 50411 1 537 . 2 . 1 46 46 LEU CB C 13 40.715 0 . 1 . . . . . 46 LEU CB . 50411 1 538 . 2 . 1 46 46 LEU N N 15 119.68 0.06 . 1 . . . . . 46 LEU N . 50411 1 539 . 2 . 1 47 47 LEU H H 1 9.026 0.04 . 1 . . . . . 47 LEU H . 50411 1 540 . 2 . 1 47 47 LEU CA C 13 57.44 0.06 . 1 . . . . . 47 LEU CA . 50411 1 541 . 2 . 1 47 47 LEU CB C 13 39.821 0 . 1 . . . . . 47 LEU CB . 50411 1 542 . 2 . 1 47 47 LEU CG C 13 26.552 0 . 1 . . . . . 47 LEU CG . 50411 1 543 . 2 . 1 47 47 LEU N N 15 124.075 0.05 . 1 . . . . . 47 LEU N . 50411 1 544 . 2 . 1 48 48 ALA C C 13 180.292 0 . 1 . . . . . 48 ALA C . 50411 1 545 . 2 . 1 48 48 ALA CA C 13 55.597 0 . 1 . . . . . 48 ALA CA . 50411 1 546 . 2 . 1 49 49 GLN H H 1 6.84 0.02 . 1 . . . . . 49 GLN H . 50411 1 547 . 2 . 1 49 49 GLN C C 13 177.368 0 . 1 . . . . . 49 GLN C . 50411 1 548 . 2 . 1 49 49 GLN CA C 13 55.951 0.01 . 1 . . . . . 49 GLN CA . 50411 1 549 . 2 . 1 49 49 GLN CB C 13 26.008 0 . 1 . . . . . 49 GLN CB . 50411 1 550 . 2 . 1 49 49 GLN N N 15 113.551 0.15 . 1 . . . . . 49 GLN N . 50411 1 551 . 2 . 1 51 51 LEU C C 13 175.849 0 . 1 . . . . . 51 LEU C . 50411 1 552 . 2 . 1 51 51 LEU CA C 13 55.209 0 . 1 . . . . . 51 LEU CA . 50411 1 553 . 2 . 1 52 52 ALA H H 1 7.001 0.01 . 1 . . . . . 52 ALA H . 50411 1 554 . 2 . 1 52 52 ALA C C 13 177.625 0.22 . 1 . . . . . 52 ALA C . 50411 1 555 . 2 . 1 52 52 ALA CA C 13 53.139 0.25 . 1 . . . . . 52 ALA CA . 50411 1 556 . 2 . 1 52 52 ALA CB C 13 17.429 0 . 1 . . . . . 52 ALA CB . 50411 1 557 . 2 . 1 52 52 ALA N N 15 119.977 0.24 . 1 . . . . . 52 ALA N . 50411 1 558 . 2 . 1 53 53 TYR H H 1 7.241 0.03 . 1 . . . . . 53 TYR H . 50411 1 559 . 2 . 1 53 53 TYR C C 13 174.602 0.23 . 1 . . . . . 53 TYR C . 50411 1 560 . 2 . 1 53 53 TYR CA C 13 58.025 0.1 . 1 . . . . . 53 TYR CA . 50411 1 561 . 2 . 1 53 53 TYR CB C 13 42.659 0 . 1 . . . . . 53 TYR CB . 50411 1 562 . 2 . 1 53 53 TYR CD1 C 13 132.688 0 . 1 . . . . . 53 TYR CD1 . 50411 1 563 . 2 . 1 53 53 TYR N N 15 112.377 0.17 . 1 . . . . . 53 TYR N . 50411 1 564 . 2 . 1 56 56 THR C C 13 176.097 0 . 1 . . . . . 56 THR C . 50411 1 565 . 2 . 1 57 57 GLY H H 1 9.934 0 . 1 . . . . . 57 GLY H . 50411 1 566 . 2 . 1 57 57 GLY C C 13 175.147 0.09 . 1 . . . . . 57 GLY C . 50411 1 567 . 2 . 1 57 57 GLY CA C 13 47.236 0.16 . 1 . . . . . 57 GLY CA . 50411 1 568 . 2 . 1 57 57 GLY N N 15 106.811 0.05 . 1 . . . . . 57 GLY N . 50411 1 569 . 2 . 1 58 58 ILE H H 1 6.228 0.01 . 1 . . . . . 58 ILE H . 50411 1 570 . 2 . 1 58 58 ILE C C 13 176.712 0.01 . 1 . . . . . 58 ILE C . 50411 1 571 . 2 . 1 58 58 ILE CA C 13 64.945 0.15 . 1 . . . . . 58 ILE CA . 50411 1 572 . 2 . 1 58 58 ILE N N 15 117.04 0.04 . 1 . . . . . 58 ILE N . 50411 1 573 . 2 . 1 59 59 ALA H H 1 7.621 0.02 . 1 . . . . . 59 ALA H . 50411 1 574 . 2 . 1 59 59 ALA C C 13 178.016 0.09 . 1 . . . . . 59 ALA C . 50411 1 575 . 2 . 1 59 59 ALA CA C 13 55.584 0.02 . 1 . . . . . 59 ALA CA . 50411 1 576 . 2 . 1 59 59 ALA CB C 13 17.133 0 . 1 . . . . . 59 ALA CB . 50411 1 577 . 2 . 1 59 59 ALA N N 15 121.278 0.1 . 1 . . . . . 59 ALA N . 50411 1 578 . 2 . 1 61 61 ALA C C 13 179.09 0 . 1 . . . . . 61 ALA C . 50411 1 579 . 2 . 1 61 61 ALA CA C 13 55.023 0 . 1 . . . . . 61 ALA CA . 50411 1 580 . 2 . 1 62 62 ILE H H 1 8.226 0.01 . 1 . . . . . 62 ILE H . 50411 1 581 . 2 . 1 62 62 ILE C C 13 176.913 0.29 . 1 . . . . . 62 ILE C . 50411 1 582 . 2 . 1 62 62 ILE CA C 13 66.35 0.07 . 1 . . . . . 62 ILE CA . 50411 1 583 . 2 . 1 62 62 ILE CB C 13 37.741 0 . 1 . . . . . 62 ILE CB . 50411 1 584 . 2 . 1 62 62 ILE CG1 C 13 29.541 0 . 1 . . . . . 62 ILE CG1 . 50411 1 585 . 2 . 1 62 62 ILE CG2 C 13 16.942 0 . 1 . . . . . 62 ILE CG2 . 50411 1 586 . 2 . 1 62 62 ILE CD1 C 13 13.247 0 . 1 . . . . . 62 ILE CD . 50411 1 587 . 2 . 1 62 62 ILE N N 15 115.25 0.11 . 1 . . . . . 62 ILE N . 50411 1 588 . 2 . 1 63 63 TRP HE1 H 1 9.9 0 . 1 . . . . . 63 TRP HE1 . 50411 1 589 . 2 . 1 63 63 TRP C C 13 179.701 0 . 1 . . . . . 63 TRP C . 50411 1 590 . 2 . 1 63 63 TRP CA C 13 60.003 0 . 1 . . . . . 63 TRP CA . 50411 1 591 . 2 . 1 63 63 TRP NE1 N 15 129.946 0 . 1 . . . . . 63 TRP NE1 . 50411 1 592 . 2 . 1 64 64 VAL H H 1 8.401 0.03 . 1 . . . . . 64 VAL H . 50411 1 593 . 2 . 1 64 64 VAL C C 13 180.442 0.1 . 1 . . . . . 64 VAL C . 50411 1 594 . 2 . 1 64 64 VAL CA C 13 64.109 0.13 . 1 . . . . . 64 VAL CA . 50411 1 595 . 2 . 1 64 64 VAL CB C 13 30.184 0.13 . 1 . . . . . 64 VAL CB . 50411 1 596 . 2 . 1 64 64 VAL CG1 C 13 19.671 0.15 . 1 . . . . . 64 VAL CG1 . 50411 1 597 . 2 . 1 64 64 VAL CG2 C 13 18.577 0.12 . 1 . . . . . 64 VAL CG2 . 50411 1 598 . 2 . 1 64 64 VAL N N 15 110.656 0.12 . 1 . . . . . 64 VAL N . 50411 1 599 . 2 . 1 65 65 GLY H H 1 8.038 0.35 . 1 . . . . . 65 GLY H . 50411 1 600 . 2 . 1 65 65 GLY C C 13 173.346 0.06 . 1 . . . . . 65 GLY C . 50411 1 601 . 2 . 1 65 65 GLY CA C 13 46.876 0.01 . 1 . . . . . 65 GLY CA . 50411 1 602 . 2 . 1 65 65 GLY N N 15 107.864 0.39 . 1 . . . . . 65 GLY N . 50411 1 603 . 2 . 1 66 66 VAL C C 13 178.119 0 . 1 . . . . . 66 VAL C . 50411 1 604 . 2 . 1 66 66 VAL CA C 13 67.062 0 . 1 . . . . . 66 VAL CA . 50411 1 605 . 2 . 1 67 67 GLY H H 1 9.133 0.02 . 1 . . . . . 67 GLY H . 50411 1 606 . 2 . 1 67 67 GLY C C 13 174.614 0 . 1 . . . . . 67 GLY C . 50411 1 607 . 2 . 1 67 67 GLY CA C 13 47.383 0.09 . 1 . . . . . 67 GLY CA . 50411 1 608 . 2 . 1 67 67 GLY N N 15 106.472 0.03 . 1 . . . . . 67 GLY N . 50411 1 609 . 2 . 1 68 68 ILE H H 1 6.52 0.01 . 1 . . . . . 68 ILE H . 50411 1 610 . 2 . 1 68 68 ILE C C 13 177.784 0.05 . 1 . . . . . 68 ILE C . 50411 1 611 . 2 . 1 68 68 ILE CA C 13 60.258 0.28 . 1 . . . . . 68 ILE CA . 50411 1 612 . 2 . 1 68 68 ILE N N 15 117.556 0.05 . 1 . . . . . 68 ILE N . 50411 1 613 . 2 . 1 70 70 LEU H H 1 8.323 0.01 . 1 . . . . . 70 LEU H . 50411 1 614 . 2 . 1 70 70 LEU C C 13 178.645 0.17 . 1 . . . . . 70 LEU C . 50411 1 615 . 2 . 1 70 70 LEU CA C 13 57.775 0.07 . 1 . . . . . 70 LEU CA . 50411 1 616 . 2 . 1 70 70 LEU CB C 13 40.721 0 . 1 . . . . . 70 LEU CB . 50411 1 617 . 2 . 1 70 70 LEU CG C 13 26.586 0 . 1 . . . . . 70 LEU CG . 50411 1 618 . 2 . 1 70 70 LEU N N 15 121.828 0.03 . 1 . . . . . 70 LEU N . 50411 1 619 . 2 . 1 71 71 ILE H H 1 8.416 0.03 . 1 . . . . . 71 ILE H . 50411 1 620 . 2 . 1 71 71 ILE C C 13 178.228 0.07 . 1 . . . . . 71 ILE C . 50411 1 621 . 2 . 1 71 71 ILE CA C 13 64.51 0.07 . 1 . . . . . 71 ILE CA . 50411 1 622 . 2 . 1 71 71 ILE CB C 13 36.679 0 . 1 . . . . . 71 ILE CB . 50411 1 623 . 2 . 1 71 71 ILE N N 15 119.057 0.14 . 1 . . . . . 71 ILE N . 50411 1 624 . 2 . 1 74 74 LEU C C 13 179.435 0 . 1 . . . . . 74 LEU C . 50411 1 625 . 2 . 1 74 74 LEU CA C 13 58.277 0 . 1 . . . . . 74 LEU CA . 50411 1 626 . 2 . 1 75 75 SER H H 1 8.405 0.03 . 1 . . . . . 75 SER H . 50411 1 627 . 2 . 1 75 75 SER C C 13 177.354 0.05 . 1 . . . . . 75 SER C . 50411 1 628 . 2 . 1 75 75 SER CA C 13 62.116 0.07 . 1 . . . . . 75 SER CA . 50411 1 629 . 2 . 1 75 75 SER N N 15 116.715 0.07 . 1 . . . . . 75 SER N . 50411 1 630 . 2 . 1 76 76 TRP H H 1 7.701 0.02 . 1 . . . . . 76 TRP H . 50411 1 631 . 2 . 1 76 76 TRP C C 13 177.729 0.03 . 1 . . . . . 76 TRP C . 50411 1 632 . 2 . 1 76 76 TRP CA C 13 58.594 0.04 . 1 . . . . . 76 TRP CA . 50411 1 633 . 2 . 1 76 76 TRP CB C 13 28.468 0 . 1 . . . . . 76 TRP CB . 50411 1 634 . 2 . 1 76 76 TRP N N 15 124.354 0.08 . 1 . . . . . 76 TRP N . 50411 1 635 . 2 . 1 77 77 GLY H H 1 8.592 0.03 . 1 . . . . . 77 GLY H . 50411 1 636 . 2 . 1 77 77 GLY C C 13 173.568 0.08 . 1 . . . . . 77 GLY C . 50411 1 637 . 2 . 1 77 77 GLY CA C 13 46.77 0.16 . 1 . . . . . 77 GLY CA . 50411 1 638 . 2 . 1 77 77 GLY N N 15 105.213 0.18 . 1 . . . . . 77 GLY N . 50411 1 639 . 2 . 1 78 78 PHE H H 1 7.648 0.05 . 1 . . . . . 78 PHE H . 50411 1 640 . 2 . 1 78 78 PHE C C 13 175.652 0.04 . 1 . . . . . 78 PHE C . 50411 1 641 . 2 . 1 78 78 PHE CA C 13 58.262 0.1 . 1 . . . . . 78 PHE CA . 50411 1 642 . 2 . 1 78 78 PHE N N 15 109.844 0.15 . 1 . . . . . 78 PHE N . 50411 1 643 . 2 . 1 79 79 PHE H H 1 7.095 0.03 . 1 . . . . . 79 PHE H . 50411 1 644 . 2 . 1 79 79 PHE C C 13 177.021 0.12 . 1 . . . . . 79 PHE C . 50411 1 645 . 2 . 1 79 79 PHE CA C 13 56.351 0.17 . 1 . . . . . 79 PHE CA . 50411 1 646 . 2 . 1 79 79 PHE CB C 13 38.434 0 . 1 . . . . . 79 PHE CB . 50411 1 647 . 2 . 1 79 79 PHE N N 15 115.343 0.07 . 1 . . . . . 79 PHE N . 50411 1 648 . 2 . 1 80 80 GLY H H 1 8.465 0.02 . 1 . . . . . 80 GLY H . 50411 1 649 . 2 . 1 80 80 GLY C C 13 174.811 0 . 1 . . . . . 80 GLY C . 50411 1 650 . 2 . 1 80 80 GLY CA C 13 46.346 0 . 1 . . . . . 80 GLY CA . 50411 1 651 . 2 . 1 80 80 GLY N N 15 109.209 0.14 . 1 . . . . . 80 GLY N . 50411 1 652 . 2 . 1 83 83 LEU H H 1 8.322 0 . 1 . . . . . 83 LEU H . 50411 1 653 . 2 . 1 83 83 LEU C C 13 173.99 0 . 1 . . . . . 83 LEU C . 50411 1 654 . 2 . 1 83 83 LEU CA C 13 54.131 0.1 . 1 . . . . . 83 LEU CA . 50411 1 655 . 2 . 1 83 83 LEU N N 15 123.972 0 . 1 . . . . . 83 LEU N . 50411 1 656 . 2 . 1 84 84 ASP H H 1 6.862 0.03 . 1 . . . . . 84 ASP H . 50411 1 657 . 2 . 1 84 84 ASP C C 13 174.916 0.07 . 1 . . . . . 84 ASP C . 50411 1 658 . 2 . 1 84 84 ASP CA C 13 50.834 0.14 . 1 . . . . . 84 ASP CA . 50411 1 659 . 2 . 1 84 84 ASP CB C 13 42.536 0 . 1 . . . . . 84 ASP CB . 50411 1 660 . 2 . 1 84 84 ASP N N 15 119.451 0.1 . 1 . . . . . 84 ASP N . 50411 1 661 . 2 . 1 85 85 LEU H H 1 8.94 0.02 . 1 . . . . . 85 LEU H . 50411 1 662 . 2 . 1 85 85 LEU C C 13 176.227 0 . 1 . . . . . 85 LEU C . 50411 1 663 . 2 . 1 85 85 LEU CA C 13 59.292 0.11 . 1 . . . . . 85 LEU CA . 50411 1 664 . 2 . 1 85 85 LEU CB C 13 38.613 0 . 1 . . . . . 85 LEU CB . 50411 1 665 . 2 . 1 85 85 LEU N N 15 118.134 0.09 . 1 . . . . . 85 LEU N . 50411 1 666 . 2 . 1 86 86 PRO C C 13 177.327 0 . 1 . . . . . 86 PRO C . 50411 1 667 . 2 . 1 86 86 PRO CA C 13 66.481 0 . 1 . . . . . 86 PRO CA . 50411 1 668 . 2 . 1 87 87 ALA H H 1 7.358 0.02 . 1 . . . . . 87 ALA H . 50411 1 669 . 2 . 1 87 87 ALA C C 13 179.185 0.07 . 1 . . . . . 87 ALA C . 50411 1 670 . 2 . 1 87 87 ALA CA C 13 55.677 0.09 . 1 . . . . . 87 ALA CA . 50411 1 671 . 2 . 1 87 87 ALA CB C 13 17.575 0 . 1 . . . . . 87 ALA CB . 50411 1 672 . 2 . 1 87 87 ALA N N 15 117.238 0.07 . 1 . . . . . 87 ALA N . 50411 1 673 . 2 . 1 88 88 ILE H H 1 7.625 0.01 . 1 . . . . . 88 ILE H . 50411 1 674 . 2 . 1 88 88 ILE C C 13 178.155 0 . 1 . . . . . 88 ILE C . 50411 1 675 . 2 . 1 88 88 ILE CA C 13 64.412 0.07 . 1 . . . . . 88 ILE CA . 50411 1 676 . 2 . 1 88 88 ILE CB C 13 37.109 0 . 1 . . . . . 88 ILE CB . 50411 1 677 . 2 . 1 88 88 ILE CG1 C 13 28.82 0 . 1 . . . . . 88 ILE CG1 . 50411 1 678 . 2 . 1 88 88 ILE CG2 C 13 17.023 0 . 1 . . . . . 88 ILE CG2 . 50411 1 679 . 2 . 1 88 88 ILE N N 15 117.151 0.1 . 1 . . . . . 88 ILE N . 50411 1 680 . 2 . 1 89 89 ILE C C 13 178.44 0 . 1 . . . . . 89 ILE C . 50411 1 681 . 2 . 1 89 89 ILE CA C 13 64.671 0 . 1 . . . . . 89 ILE CA . 50411 1 682 . 2 . 1 90 90 GLY H H 1 8.664 0.02 . 1 . . . . . 90 GLY H . 50411 1 683 . 2 . 1 90 90 GLY C C 13 175.616 0.03 . 1 . . . . . 90 GLY C . 50411 1 684 . 2 . 1 90 90 GLY CA C 13 47.748 0.18 . 1 . . . . . 90 GLY CA . 50411 1 685 . 2 . 1 90 90 GLY N N 15 107.058 0.05 . 1 . . . . . 90 GLY N . 50411 1 686 . 2 . 1 91 91 MET H H 1 8.294 0.02 . 1 . . . . . 91 MET H . 50411 1 687 . 2 . 1 91 91 MET C C 13 178.24 0.02 . 1 . . . . . 91 MET C . 50411 1 688 . 2 . 1 91 91 MET CA C 13 60.081 0.1 . 1 . . . . . 91 MET CA . 50411 1 689 . 2 . 1 91 91 MET CB C 13 33.024 0 . 1 . . . . . 91 MET CB . 50411 1 690 . 2 . 1 91 91 MET N N 15 119.349 0.15 . 1 . . . . . 91 MET N . 50411 1 691 . 2 . 1 92 92 MET H H 1 8.052 0.02 . 1 . . . . . 92 MET H . 50411 1 692 . 2 . 1 92 92 MET C C 13 177.648 0 . 1 . . . . . 92 MET C . 50411 1 693 . 2 . 1 92 92 MET CA C 13 59.546 0.06 . 1 . . . . . 92 MET CA . 50411 1 694 . 2 . 1 92 92 MET CB C 13 32.601 0 . 1 . . . . . 92 MET CB . 50411 1 695 . 2 . 1 92 92 MET N N 15 118.665 0.06 . 1 . . . . . 92 MET N . 50411 1 696 . 2 . 1 95 95 CYS CB C 13 25.787 0 . 1 . . . . . 95 CYS CB . 50411 1 697 . 2 . 1 96 96 ALA C C 13 178.556 0 . 1 . . . . . 96 ALA C . 50411 1 698 . 2 . 1 96 96 ALA CA C 13 55.07 0 . 1 . . . . . 96 ALA CA . 50411 1 699 . 2 . 1 97 97 GLY H H 1 8.245 0.05 . 1 . . . . . 97 GLY H . 50411 1 700 . 2 . 1 97 97 GLY C C 13 174.942 0.07 . 1 . . . . . 97 GLY C . 50411 1 701 . 2 . 1 97 97 GLY CA C 13 48.692 0.05 . 1 . . . . . 97 GLY CA . 50411 1 702 . 2 . 1 97 97 GLY N N 15 104.897 0.05 . 1 . . . . . 97 GLY N . 50411 1 703 . 2 . 1 102 102 ASN C C 13 176.387 0 . 1 . . . . . 102 ASN C . 50411 1 704 . 2 . 1 102 102 ASN CA C 13 56.48 0.14 . 1 . . . . . 102 ASN CA . 50411 1 705 . 2 . 1 102 102 ASN CB C 13 39.006 0 . 1 . . . . . 102 ASN CB . 50411 1 706 . 2 . 1 102 102 ASN N N 15 114.765 0.03 . 1 . . . . . 102 ASN N . 50411 1 707 . 2 . 1 103 103 LEU C C 13 178.161 0.02 . 1 . . . . . 103 LEU C . 50411 1 708 . 2 . 1 103 103 LEU CA C 13 56.172 0.11 . 1 . . . . . 103 LEU CA . 50411 1 709 . 2 . 1 103 103 LEU CB C 13 42.826 0 . 1 . . . . . 103 LEU CB . 50411 1 710 . 2 . 1 103 103 LEU CG C 13 26.953 0 . 1 . . . . . 103 LEU CG . 50411 1 711 . 2 . 1 103 103 LEU N N 15 114.782 0.16 . 1 . . . . . 103 LEU N . 50411 1 712 . 2 . 1 104 104 LEU H H 1 7.59 0.02 . 1 . . . . . 104 LEU H . 50411 1 713 . 2 . 1 104 104 LEU C C 13 176.994 0.04 . 1 . . . . . 104 LEU C . 50411 1 714 . 2 . 1 104 104 LEU CA C 13 54.68 0.12 . 1 . . . . . 104 LEU CA . 50411 1 715 . 2 . 1 104 104 LEU CB C 13 44.724 0 . 1 . . . . . 104 LEU CB . 50411 1 716 . 2 . 1 104 104 LEU N N 15 113.569 0.16 . 1 . . . . . 104 LEU N . 50411 1 717 . 2 . 1 105 105 SER H H 1 7.457 0.03 . 1 . . . . . 105 SER H . 50411 1 718 . 2 . 1 105 105 SER C C 13 176.629 0.09 . 1 . . . . . 105 SER C . 50411 1 719 . 2 . 1 105 105 SER CA C 13 58.436 0.11 . 1 . . . . . 105 SER CA . 50411 1 720 . 2 . 1 105 105 SER CB C 13 64.14 0 . 1 . . . . . 105 SER CB . 50411 1 721 . 2 . 1 105 105 SER N N 15 111.942 0.14 . 1 . . . . . 105 SER N . 50411 1 722 . 2 . 1 106 106 ARG H H 1 9.948 0.03 . 1 . . . . . 106 ARG H . 50411 1 723 . 2 . 1 106 106 ARG C C 13 176.941 0 . 1 . . . . . 106 ARG C . 50411 1 724 . 2 . 1 106 106 ARG CA C 13 54.439 0.1 . 1 . . . . . 106 ARG CA . 50411 1 725 . 2 . 1 106 106 ARG CB C 13 29.958 0 . 1 . . . . . 106 ARG CB . 50411 1 726 . 2 . 1 106 106 ARG CG C 13 26.933 0 . 1 . . . . . 106 ARG CG . 50411 1 727 . 2 . 1 106 106 ARG N N 15 129.385 0.17 . 1 . . . . . 106 ARG N . 50411 1 stop_ save_