################################### # 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 51791 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name DRB4D3 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details ; The amide N and amid H chemical shifts are reported for the 1H-15N TROSY-HSQC with apparent ~ 45 Hz shift in both N and H dimension. ; _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 6 '3D HN(CO)CA' . . . 51791 1 7 '3D HNCA' . . . 51791 1 8 '3D H(CCO)NH TOCSY' . . . 51791 1 9 '3D( H)C(CO)NH TOCSY' . . . 51791 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 . . 51791 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 2 2 GLU H H 1 8.992 0.020 . 1 . . . . . 294 GLU H . 51791 1 2 . 1 . 1 2 2 GLU C C 13 172.826 0.3 . 1 . . . . . 294 GLU C . 51791 1 3 . 1 . 1 2 2 GLU CA C 13 57.157 0.3 . 1 . . . . . 294 GLU CA . 51791 1 4 . 1 . 1 2 2 GLU CB C 13 31.482 0.3 . 1 . . . . . 294 GLU CB . 51791 1 5 . 1 . 1 2 2 GLU N N 15 128.448 0.3 . 1 . . . . . 294 GLU N . 51791 1 6 . 1 . 1 6 6 CYS H H 1 7.922 0.020 . 1 . . . . . 298 CYS H . 51791 1 7 . 1 . 1 6 6 CYS HA H 1 4.824 0.020 . 1 . . . . . 298 CYS HA . 51791 1 8 . 1 . 1 6 6 CYS C C 13 174.373 0.3 . 1 . . . . . 298 CYS C . 51791 1 9 . 1 . 1 6 6 CYS CA C 13 57.916 0.3 . 1 . . . . . 298 CYS CA . 51791 1 10 . 1 . 1 6 6 CYS CB C 13 37.708 0.3 . 1 . . . . . 298 CYS CB . 51791 1 11 . 1 . 1 6 6 CYS N N 15 125.400 0.3 . 1 . . . . . 298 CYS N . 51791 1 12 . 1 . 1 7 7 VAL H H 1 8.068 0.020 . 1 . . . . . 299 VAL H . 51791 1 13 . 1 . 1 7 7 VAL HA H 1 4.028 0.020 . 1 . . . . . 299 VAL HA . 51791 1 14 . 1 . 1 7 7 VAL HB H 1 1.939 0.020 . 1 . . . . . 299 VAL HB . 51791 1 15 . 1 . 1 7 7 VAL HG21 H 1 0.807 0.020 . 1 . . . . . 299 VAL HG2 . 51791 1 16 . 1 . 1 7 7 VAL HG22 H 1 0.807 0.020 . 1 . . . . . 299 VAL HG2 . 51791 1 17 . 1 . 1 7 7 VAL HG23 H 1 0.807 0.020 . 1 . . . . . 299 VAL HG2 . 51791 1 18 . 1 . 1 7 7 VAL C C 13 175.852 0.3 . 1 . . . . . 299 VAL C . 51791 1 19 . 1 . 1 7 7 VAL CA C 13 61.803 0.3 . 1 . . . . . 299 VAL CA . 51791 1 20 . 1 . 1 7 7 VAL CB C 13 31.596 0.3 . 1 . . . . . 299 VAL CB . 51791 1 21 . 1 . 1 7 7 VAL CG1 C 13 20.347 0.3 . 1 . . . . . 299 VAL CG1 . 51791 1 22 . 1 . 1 7 7 VAL N N 15 124.648 0.3 . 1 . . . . . 299 VAL N . 51791 1 23 . 1 . 1 8 8 VAL H H 1 8.083 0.020 . 1 . . . . . 300 VAL H . 51791 1 24 . 1 . 1 8 8 VAL HA H 1 4.003 0.020 . 1 . . . . . 300 VAL HA . 51791 1 25 . 1 . 1 8 8 VAL HB H 1 1.920 0.020 . 1 . . . . . 300 VAL HB . 51791 1 26 . 1 . 1 8 8 VAL HG21 H 1 0.792 0.020 . 1 . . . . . 300 VAL HG2 . 51791 1 27 . 1 . 1 8 8 VAL HG22 H 1 0.792 0.020 . 1 . . . . . 300 VAL HG2 . 51791 1 28 . 1 . 1 8 8 VAL HG23 H 1 0.792 0.020 . 1 . . . . . 300 VAL HG2 . 51791 1 29 . 1 . 1 8 8 VAL C C 13 175.403 0.3 . 1 . . . . . 300 VAL C . 51791 1 30 . 1 . 1 8 8 VAL CA C 13 61.560 0.3 . 1 . . . . . 300 VAL CA . 51791 1 31 . 1 . 1 8 8 VAL CB C 13 31.789 0.3 . 1 . . . . . 300 VAL CB . 51791 1 32 . 1 . 1 8 8 VAL CG1 C 13 20.336 0.3 . 1 . . . . . 300 VAL CG1 . 51791 1 33 . 1 . 1 8 8 VAL N N 15 125.994 0.3 . 1 . . . . . 300 VAL N . 51791 1 34 . 1 . 1 9 9 ASP H H 1 8.279 0.020 . 1 . . . . . 301 ASP H . 51791 1 35 . 1 . 1 9 9 ASP HA H 1 4.506 0.020 . 1 . . . . . 301 ASP HA . 51791 1 36 . 1 . 1 9 9 ASP HB2 H 1 2.580 0.020 . 1 . . . . . 301 ASP HB2 . 51791 1 37 . 1 . 1 9 9 ASP C C 13 176.398 0.3 . 1 . . . . . 301 ASP C . 51791 1 38 . 1 . 1 9 9 ASP CA C 13 53.545 0.3 . 1 . . . . . 301 ASP CA . 51791 1 39 . 1 . 1 9 9 ASP CB C 13 40.634 0.3 . 1 . . . . . 301 ASP CB . 51791 1 40 . 1 . 1 9 9 ASP N N 15 126.187 0.3 . 1 . . . . . 301 ASP N . 51791 1 41 . 1 . 1 10 10 GLU H H 1 8.441 0.020 . 1 . . . . . 302 GLU H . 51791 1 42 . 1 . 1 10 10 GLU HA H 1 4.142 0.020 . 1 . . . . . 302 GLU HA . 51791 1 43 . 1 . 1 10 10 GLU HB2 H 1 1.875 0.020 . 1 . . . . . 302 GLU HB2 . 51791 1 44 . 1 . 1 10 10 GLU HG2 H 1 2.163 0.020 . 1 . . . . . 302 GLU HG2 . 51791 1 45 . 1 . 1 10 10 GLU C C 13 177.050 0.3 . 1 . . . . . 302 GLU C . 51791 1 46 . 1 . 1 10 10 GLU CA C 13 56.545 0.3 . 1 . . . . . 302 GLU CA . 51791 1 47 . 1 . 1 10 10 GLU CB C 13 28.816 0.3 . 1 . . . . . 302 GLU CB . 51791 1 48 . 1 . 1 10 10 GLU CG C 13 35.779 0.3 . 1 . . . . . 302 GLU CG . 51791 1 49 . 1 . 1 10 10 GLU N N 15 124.782 0.3 . 1 . . . . . 302 GLU N . 51791 1 50 . 1 . 1 11 11 SER H H 1 8.285 0.020 . 1 . . . . . 303 SER H . 51791 1 51 . 1 . 1 11 11 SER HA H 1 4.174 0.020 . 1 . . . . . 303 SER HA . 51791 1 52 . 1 . 1 11 11 SER C C 13 175.238 0.3 . 1 . . . . . 303 SER C . 51791 1 53 . 1 . 1 11 11 SER CA C 13 59.268 0.3 . 1 . . . . . 303 SER CA . 51791 1 54 . 1 . 1 11 11 SER CB C 13 62.556 0.3 . 1 . . . . . 303 SER CB . 51791 1 55 . 1 . 1 11 11 SER N N 15 117.742 0.3 . 1 . . . . . 303 SER N . 51791 1 56 . 1 . 1 12 12 GLU H H 1 8.065 0.020 . 1 . . . . . 304 GLU H . 51791 1 57 . 1 . 1 12 12 GLU HA H 1 4.129 0.020 . 1 . . . . . 304 GLU HA . 51791 1 58 . 1 . 1 12 12 GLU HB2 H 1 2.041 0.020 . 1 . . . . . 304 GLU HB2 . 51791 1 59 . 1 . 1 12 12 GLU HG2 H 1 2.156 0.020 . 1 . . . . . 304 GLU HG2 . 51791 1 60 . 1 . 1 12 12 GLU C C 13 176.956 0.3 . 1 . . . . . 304 GLU C . 51791 1 61 . 1 . 1 12 12 GLU CA C 13 56.527 0.3 . 1 . . . . . 304 GLU CA . 51791 1 62 . 1 . 1 12 12 GLU CB C 13 28.832 0.3 . 1 . . . . . 304 GLU CB . 51791 1 63 . 1 . 1 12 12 GLU CG C 13 35.728 0.3 . 1 . . . . . 304 GLU CG . 51791 1 64 . 1 . 1 12 12 GLU N N 15 123.662 0.3 . 1 . . . . . 304 GLU N . 51791 1 65 . 1 . 1 13 13 LYS H H 1 7.901 0.020 . 1 . . . . . 305 LYS H . 51791 1 66 . 1 . 1 13 13 LYS C C 13 175.971 0.3 . 1 . . . . . 305 LYS C . 51791 1 67 . 1 . 1 13 13 LYS CB C 13 31.605 0.3 . 1 . . . . . 305 LYS CB . 51791 1 68 . 1 . 1 13 13 LYS N N 15 122.751 0.3 . 1 . . . . . 305 LYS N . 51791 1 69 . 1 . 1 14 14 LYS H H 1 8.020 0.020 . 1 . . . . . 306 LYS H . 51791 1 70 . 1 . 1 14 14 LYS C C 13 176.446 0.3 . 1 . . . . . 306 LYS C . 51791 1 71 . 1 . 1 14 14 LYS CA C 13 55.706 0.3 . 1 . . . . . 306 LYS CA . 51791 1 72 . 1 . 1 14 14 LYS CB C 13 31.781 0.3 . 1 . . . . . 306 LYS CB . 51791 1 73 . 1 . 1 14 14 LYS CE C 13 41.662 0.3 . 1 . . . . . 306 LYS CE . 51791 1 74 . 1 . 1 14 14 LYS N N 15 123.701 0.3 . 1 . . . . . 306 LYS N . 51791 1 75 . 1 . 1 15 15 LYS H H 1 7.941 0.020 . 1 . . . . . 307 LYS H . 51791 1 76 . 1 . 1 15 15 LYS HA H 1 4.159 0.020 . 1 . . . . . 307 LYS HA . 51791 1 77 . 1 . 1 15 15 LYS HB2 H 1 1.707 0.020 . 1 . . . . . 307 LYS HB2 . 51791 1 78 . 1 . 1 15 15 LYS HG2 H 1 1.315 0.020 . 1 . . . . . 307 LYS HG2 . 51791 1 79 . 1 . 1 15 15 LYS HD2 H 1 1.582 0.020 . 1 . . . . . 307 LYS HD2 . 51791 1 80 . 1 . 1 15 15 LYS HE2 H 1 2.868 0.020 . 1 . . . . . 307 LYS HE2 . 51791 1 81 . 1 . 1 15 15 LYS C C 13 175.970 0.3 . 1 . . . . . 307 LYS C . 51791 1 82 . 1 . 1 15 15 LYS CA C 13 55.922 0.3 . 1 . . . . . 307 LYS CA . 51791 1 83 . 1 . 1 15 15 LYS CB C 13 31.960 0.3 . 1 . . . . . 307 LYS CB . 51791 1 84 . 1 . 1 15 15 LYS CG C 13 24.205 0.3 . 1 . . . . . 307 LYS CG . 51791 1 85 . 1 . 1 15 15 LYS CD C 13 28.573 0.3 . 1 . . . . . 307 LYS CD . 51791 1 86 . 1 . 1 15 15 LYS CE C 13 41.649 0.3 . 1 . . . . . 307 LYS CE . 51791 1 87 . 1 . 1 15 15 LYS N N 15 123.260 0.3 . 1 . . . . . 307 LYS N . 51791 1 88 . 1 . 1 16 16 LEU H H 1 7.727 0.020 . 1 . . . . . 308 LEU H . 51791 1 89 . 1 . 1 16 16 LEU HA H 1 4.130 0.020 . 1 . . . . . 308 LEU HA . 51791 1 90 . 1 . 1 16 16 LEU HB2 H 1 1.693 0.020 . 1 . . . . . 308 LEU HB2 . 51791 1 91 . 1 . 1 16 16 LEU HG H 1 1.342 0.020 . 1 . . . . . 308 LEU HG . 51791 1 92 . 1 . 1 16 16 LEU C C 13 176.522 0.3 . 1 . . . . . 308 LEU C . 51791 1 93 . 1 . 1 16 16 LEU CA C 13 54.431 0.3 . 1 . . . . . 308 LEU CA . 51791 1 94 . 1 . 1 16 16 LEU CB C 13 42.071 0.3 . 1 . . . . . 308 LEU CB . 51791 1 95 . 1 . 1 16 16 LEU CD1 C 13 24.228 0.3 . 1 . . . . . 308 LEU CD1 . 51791 1 96 . 1 . 1 16 16 LEU CD2 C 13 24.118 0.3 . 1 . . . . . 308 LEU CD2 . 51791 1 97 . 1 . 1 16 16 LEU N N 15 123.452 0.3 . 1 . . . . . 308 LEU N . 51791 1 98 . 1 . 1 17 17 ILE H H 1 7.909 0.020 . 1 . . . . . 309 ILE H . 51791 1 99 . 1 . 1 17 17 ILE HD11 H 1 0.648 0.020 . 1 . . . . . 309 ILE HD1 . 51791 1 100 . 1 . 1 17 17 ILE HD12 H 1 0.648 0.020 . 1 . . . . . 309 ILE HD1 . 51791 1 101 . 1 . 1 17 17 ILE HD13 H 1 0.648 0.020 . 1 . . . . . 309 ILE HD1 . 51791 1 102 . 1 . 1 17 17 ILE C C 13 176.900 0.3 . 1 . . . . . 309 ILE C . 51791 1 103 . 1 . 1 17 17 ILE CA C 13 60.544 0.3 . 1 . . . . . 309 ILE CA . 51791 1 104 . 1 . 1 17 17 ILE CB C 13 37.083 0.3 . 1 . . . . . 309 ILE CB . 51791 1 105 . 1 . 1 17 17 ILE CG1 C 13 27.157 0.3 . 1 . . . . . 309 ILE CG1 . 51791 1 106 . 1 . 1 17 17 ILE CG2 C 13 16.853 0.3 . 1 . . . . . 309 ILE CG2 . 51791 1 107 . 1 . 1 17 17 ILE CD1 C 13 12.148 0.3 . 1 . . . . . 309 ILE CD1 . 51791 1 108 . 1 . 1 17 17 ILE N N 15 122.959 0.3 . 1 . . . . . 309 ILE N . 51791 1 109 . 1 . 1 18 18 MET H H 1 8.330 0.020 . 1 . . . . . 310 MET H . 51791 1 110 . 1 . 1 18 18 MET HG2 H 1 2.581 0.020 . 2 . . . . . 310 MET HG2 . 51791 1 111 . 1 . 1 18 18 MET HG3 H 1 2.453 0.020 . 2 . . . . . 310 MET HG3 . 51791 1 112 . 1 . 1 18 18 MET C C 13 177.152 0.3 . 1 . . . . . 310 MET C . 51791 1 113 . 1 . 1 18 18 MET CA C 13 54.118 0.3 . 1 . . . . . 310 MET CA . 51791 1 114 . 1 . 1 18 18 MET CB C 13 31.185 0.3 . 1 . . . . . 310 MET CB . 51791 1 115 . 1 . 1 18 18 MET CG C 13 31.534 0.3 . 1 . . . . . 310 MET CG . 51791 1 116 . 1 . 1 18 18 MET N N 15 125.677 0.3 . 1 . . . . . 310 MET N . 51791 1 117 . 1 . 1 19 19 GLY H H 1 8.079 0.020 . 1 . . . . . 311 GLY H . 51791 1 118 . 1 . 1 19 19 GLY C C 13 174.024 0.3 . 1 . . . . . 311 GLY C . 51791 1 119 . 1 . 1 19 19 GLY CA C 13 44.152 0.3 . 1 . . . . . 311 GLY CA . 51791 1 120 . 1 . 1 19 19 GLY N N 15 112.127 0.3 . 1 . . . . . 311 GLY N . 51791 1 121 . 1 . 1 20 20 THR H H 1 8.251 0.020 . 1 . . . . . 312 THR H . 51791 1 122 . 1 . 1 20 20 THR HA H 1 4.274 0.020 . 1 . . . . . 312 THR HA . 51791 1 123 . 1 . 1 20 20 THR HG21 H 1 1.110 0.020 . 1 . . . . . 312 THR HG2 . 51791 1 124 . 1 . 1 20 20 THR HG22 H 1 1.110 0.020 . 1 . . . . . 312 THR HG2 . 51791 1 125 . 1 . 1 20 20 THR HG23 H 1 1.110 0.020 . 1 . . . . . 312 THR HG2 . 51791 1 126 . 1 . 1 20 20 THR C C 13 175.601 0.3 . 1 . . . . . 312 THR C . 51791 1 127 . 1 . 1 20 20 THR CA C 13 61.687 0.3 . 1 . . . . . 312 THR CA . 51791 1 128 . 1 . 1 20 20 THR CB C 13 68.604 0.3 . 1 . . . . . 312 THR CB . 51791 1 129 . 1 . 1 20 20 THR CG2 C 13 20.999 0.3 . 1 . . . . . 312 THR CG2 . 51791 1 130 . 1 . 1 20 20 THR N N 15 114.693 0.3 . 1 . . . . . 312 THR N . 51791 1 131 . 1 . 1 21 21 GLY H H 1 8.389 0.020 . 1 . . . . . 313 GLY H . 51791 1 132 . 1 . 1 21 21 GLY HA2 H 1 4.077 0.020 . 1 . . . . . 313 GLY HA2 . 51791 1 133 . 1 . 1 21 21 GLY C C 13 173.443 0.3 . 1 . . . . . 313 GLY C . 51791 1 134 . 1 . 1 21 21 GLY CA C 13 44.790 0.3 . 1 . . . . . 313 GLY CA . 51791 1 135 . 1 . 1 21 21 GLY N N 15 111.694 0.3 . 1 . . . . . 313 GLY N . 51791 1 136 . 1 . 1 22 22 HIS H H 1 7.975 0.020 . 1 . . . . . 314 HIS H . 51791 1 137 . 1 . 1 22 22 HIS HB2 H 1 2.980 0.020 . 1 . . . . . 314 HIS HB2 . 51791 1 138 . 1 . 1 22 22 HIS C C 13 173.961 0.3 . 1 . . . . . 314 HIS C . 51791 1 139 . 1 . 1 22 22 HIS CA C 13 54.276 0.3 . 1 . . . . . 314 HIS CA . 51791 1 140 . 1 . 1 22 22 HIS CB C 13 29.563 0.3 . 1 . . . . . 314 HIS CB . 51791 1 141 . 1 . 1 22 22 HIS N N 15 119.574 0.3 . 1 . . . . . 314 HIS N . 51791 1 142 . 1 . 1 23 23 LEU H H 1 8.020 0.020 . 1 . . . . . 315 LEU H . 51791 1 143 . 1 . 1 23 23 LEU HB2 H 1 1.301 0.020 . 1 . . . . . 315 LEU HB2 . 51791 1 144 . 1 . 1 23 23 LEU HD11 H 1 0.707 0.020 . 2 . . . . . 315 LEU HD1 . 51791 1 145 . 1 . 1 23 23 LEU HD12 H 1 0.707 0.020 . 2 . . . . . 315 LEU HD1 . 51791 1 146 . 1 . 1 23 23 LEU HD13 H 1 0.707 0.020 . 2 . . . . . 315 LEU HD1 . 51791 1 147 . 1 . 1 23 23 LEU HD21 H 1 0.649 0.020 . 2 . . . . . 315 LEU HD2 . 51791 1 148 . 1 . 1 23 23 LEU HD22 H 1 0.649 0.020 . 2 . . . . . 315 LEU HD2 . 51791 1 149 . 1 . 1 23 23 LEU HD23 H 1 0.649 0.020 . 2 . . . . . 315 LEU HD2 . 51791 1 150 . 1 . 1 23 23 LEU C C 13 176.754 0.3 . 1 . . . . . 315 LEU C . 51791 1 151 . 1 . 1 23 23 LEU CA C 13 54.739 0.3 . 1 . . . . . 315 LEU CA . 51791 1 152 . 1 . 1 23 23 LEU CB C 13 40.598 0.3 . 1 . . . . . 315 LEU CB . 51791 1 153 . 1 . 1 23 23 LEU CD1 C 13 24.449 0.3 . 1 . . . . . 315 LEU CD1 . 51791 1 154 . 1 . 1 23 23 LEU CD2 C 13 24.408 0.3 . 1 . . . . . 315 LEU CD2 . 51791 1 155 . 1 . 1 23 23 LEU N N 15 124.109 0.3 . 1 . . . . . 315 LEU N . 51791 1 156 . 1 . 1 24 24 SER H H 1 7.923 0.020 . 1 . . . . . 316 SER H . 51791 1 157 . 1 . 1 24 24 SER HA H 1 4.355 0.020 . 1 . . . . . 316 SER HA . 51791 1 158 . 1 . 1 24 24 SER HB2 H 1 4.018 0.020 . 1 . . . . . 316 SER HB2 . 51791 1 159 . 1 . 1 24 24 SER C C 13 173.641 0.3 . 1 . . . . . 316 SER C . 51791 1 160 . 1 . 1 24 24 SER CA C 13 57.050 0.3 . 1 . . . . . 316 SER CA . 51791 1 161 . 1 . 1 24 24 SER CB C 13 62.704 0.3 . 1 . . . . . 316 SER CB . 51791 1 162 . 1 . 1 24 24 SER N N 15 116.976 0.3 . 1 . . . . . 316 SER N . 51791 1 163 . 1 . 1 25 25 ILE H H 1 7.881 0.020 . 1 . . . . . 317 ILE H . 51791 1 164 . 1 . 1 25 25 ILE C C 13 174.537 0.3 . 1 . . . . . 317 ILE C . 51791 1 165 . 1 . 1 25 25 ILE CA C 13 58.129 0.3 . 1 . . . . . 317 ILE CA . 51791 1 166 . 1 . 1 25 25 ILE CB C 13 37.689 0.3 . 1 . . . . . 317 ILE CB . 51791 1 167 . 1 . 1 25 25 ILE N N 15 124.646 0.3 . 1 . . . . . 317 ILE N . 51791 1 168 . 1 . 1 26 26 PRO HB2 H 1 1.843 0.020 . 1 . . . . . 318 PRO HB2 . 51791 1 169 . 1 . 1 26 26 PRO HG2 H 1 1.581 0.020 . 1 . . . . . 318 PRO HG2 . 51791 1 170 . 1 . 1 26 26 PRO C C 13 176.227 0.3 . 1 . . . . . 318 PRO C . 51791 1 171 . 1 . 1 26 26 PRO CA C 13 62.371 0.3 . 1 . . . . . 318 PRO CA . 51791 1 172 . 1 . 1 26 26 PRO CB C 13 30.726 0.3 . 1 . . . . . 318 PRO CB . 51791 1 173 . 1 . 1 26 26 PRO CG C 13 26.781 0.3 . 1 . . . . . 318 PRO CG . 51791 1 174 . 1 . 1 27 27 THR H H 1 7.865 0.020 . 1 . . . . . 319 THR H . 51791 1 175 . 1 . 1 27 27 THR HB H 1 3.624 0.020 . 1 . . . . . 319 THR HB . 51791 1 176 . 1 . 1 27 27 THR HG21 H 1 1.103 0.020 . 1 . . . . . 319 THR HG2 . 51791 1 177 . 1 . 1 27 27 THR HG22 H 1 1.103 0.020 . 1 . . . . . 319 THR HG2 . 51791 1 178 . 1 . 1 27 27 THR HG23 H 1 1.103 0.020 . 1 . . . . . 319 THR HG2 . 51791 1 179 . 1 . 1 27 27 THR C C 13 174.594 0.3 . 1 . . . . . 319 THR C . 51791 1 180 . 1 . 1 27 27 THR CA C 13 61.736 0.3 . 1 . . . . . 319 THR CA . 51791 1 181 . 1 . 1 27 27 THR CB C 13 68.943 0.3 . 1 . . . . . 319 THR CB . 51791 1 182 . 1 . 1 27 27 THR CG2 C 13 20.753 0.3 . 1 . . . . . 319 THR CG2 . 51791 1 183 . 1 . 1 27 27 THR N N 15 115.019 0.3 . 1 . . . . . 319 THR N . 51791 1 184 . 1 . 1 28 28 GLY H H 1 8.323 0.020 . 1 . . . . . 320 GLY H . 51791 1 185 . 1 . 1 28 28 GLY C C 13 173.575 0.3 . 1 . . . . . 320 GLY C . 51791 1 186 . 1 . 1 28 28 GLY CA C 13 44.678 0.3 . 1 . . . . . 320 GLY CA . 51791 1 187 . 1 . 1 28 28 GLY N N 15 113.075 0.3 . 1 . . . . . 320 GLY N . 51791 1 188 . 1 . 1 29 29 GLN H H 1 8.053 0.020 . 1 . . . . . 321 GLN H . 51791 1 189 . 1 . 1 29 29 GLN HA H 1 3.769 0.020 . 1 . . . . . 321 GLN HA . 51791 1 190 . 1 . 1 29 29 GLN C C 13 173.874 0.3 . 1 . . . . . 321 GLN C . 51791 1 191 . 1 . 1 29 29 GLN CA C 13 54.328 0.3 . 1 . . . . . 321 GLN CA . 51791 1 192 . 1 . 1 29 29 GLN CB C 13 29.691 0.3 . 1 . . . . . 321 GLN CB . 51791 1 193 . 1 . 1 29 29 GLN CG C 13 33.170 0.3 . 1 . . . . . 321 GLN CG . 51791 1 194 . 1 . 1 29 29 GLN N N 15 120.138 0.3 . 1 . . . . . 321 GLN N . 51791 1 195 . 1 . 1 30 30 HIS H H 1 8.845 0.020 . 1 . . . . . 322 HIS H . 51791 1 196 . 1 . 1 30 30 HIS HA H 1 4.287 0.020 . 1 . . . . . 322 HIS HA . 51791 1 197 . 1 . 1 30 30 HIS HB2 H 1 3.145 0.020 . 1 . . . . . 322 HIS HB2 . 51791 1 198 . 1 . 1 30 30 HIS C C 13 173.477 0.3 . 1 . . . . . 322 HIS C . 51791 1 199 . 1 . 1 30 30 HIS CA C 13 53.784 0.3 . 1 . . . . . 322 HIS CA . 51791 1 200 . 1 . 1 30 30 HIS CB C 13 31.384 0.3 . 1 . . . . . 322 HIS CB . 51791 1 201 . 1 . 1 30 30 HIS N N 15 125.300 0.3 . 1 . . . . . 322 HIS N . 51791 1 202 . 1 . 1 31 31 VAL H H 1 8.942 0.020 . 1 . . . . . 323 VAL H . 51791 1 203 . 1 . 1 31 31 VAL HA H 1 4.112 0.020 . 1 . . . . . 323 VAL HA . 51791 1 204 . 1 . 1 31 31 VAL HB H 1 1.308 0.020 . 1 . . . . . 323 VAL HB . 51791 1 205 . 1 . 1 31 31 VAL HG11 H 1 0.550 0.020 . 1 . . . . . 323 VAL HG1 . 51791 1 206 . 1 . 1 31 31 VAL HG12 H 1 0.550 0.020 . 1 . . . . . 323 VAL HG1 . 51791 1 207 . 1 . 1 31 31 VAL HG13 H 1 0.550 0.020 . 1 . . . . . 323 VAL HG1 . 51791 1 208 . 1 . 1 31 31 VAL C C 13 172.833 0.3 . 1 . . . . . 323 VAL C . 51791 1 209 . 1 . 1 31 31 VAL CA C 13 60.223 0.3 . 1 . . . . . 323 VAL CA . 51791 1 210 . 1 . 1 31 31 VAL CB C 13 33.974 0.3 . 1 . . . . . 323 VAL CB . 51791 1 211 . 1 . 1 31 31 VAL CG1 C 13 20.828 0.3 . 1 . . . . . 323 VAL CG1 . 51791 1 212 . 1 . 1 31 31 VAL CG2 C 13 20.735 0.3 . 1 . . . . . 323 VAL CG2 . 51791 1 213 . 1 . 1 31 31 VAL N N 15 128.549 0.3 . 1 . . . . . 323 VAL N . 51791 1 214 . 1 . 1 32 32 VAL H H 1 8.632 0.020 . 1 . . . . . 324 VAL H . 51791 1 215 . 1 . 1 32 32 VAL HG11 H 1 0.737 0.020 . 1 . . . . . 324 VAL HG1 . 51791 1 216 . 1 . 1 32 32 VAL HG12 H 1 0.737 0.020 . 1 . . . . . 324 VAL HG1 . 51791 1 217 . 1 . 1 32 32 VAL HG13 H 1 0.737 0.020 . 1 . . . . . 324 VAL HG1 . 51791 1 218 . 1 . 1 32 32 VAL C C 13 174.700 0.3 . 1 . . . . . 324 VAL C . 51791 1 219 . 1 . 1 32 32 VAL CA C 13 58.849 0.3 . 1 . . . . . 324 VAL CA . 51791 1 220 . 1 . 1 32 32 VAL CB C 13 32.924 0.3 . 1 . . . . . 324 VAL CB . 51791 1 221 . 1 . 1 32 32 VAL CG1 C 13 20.977 0.3 . 1 . . . . . 324 VAL CG1 . 51791 1 222 . 1 . 1 32 32 VAL CG2 C 13 20.920 0.3 . 1 . . . . . 324 VAL CG2 . 51791 1 223 . 1 . 1 32 32 VAL N N 15 128.327 0.3 . 1 . . . . . 324 VAL N . 51791 1 224 . 1 . 1 33 33 CYS H H 1 8.574 0.020 . 1 . . . . . 325 CYS H . 51791 1 225 . 1 . 1 33 33 CYS HA H 1 5.233 0.020 . 1 . . . . . 325 CYS HA . 51791 1 226 . 1 . 1 33 33 CYS HB2 H 1 2.821 0.020 . 1 . . . . . 325 CYS HB2 . 51791 1 227 . 1 . 1 33 33 CYS C C 13 173.465 0.3 . 1 . . . . . 325 CYS C . 51791 1 228 . 1 . 1 33 33 CYS CA C 13 54.932 0.3 . 1 . . . . . 325 CYS CA . 51791 1 229 . 1 . 1 33 33 CYS CB C 13 28.940 0.3 . 1 . . . . . 325 CYS CB . 51791 1 230 . 1 . 1 33 33 CYS N N 15 124.772 0.3 . 1 . . . . . 325 CYS N . 51791 1 231 . 1 . 1 34 34 ARG H H 1 8.917 0.020 . 1 . . . . . 326 ARG H . 51791 1 232 . 1 . 1 34 34 ARG C C 13 171.964 0.3 . 1 . . . . . 326 ARG C . 51791 1 233 . 1 . 1 34 34 ARG CA C 13 52.905 0.3 . 1 . . . . . 326 ARG CA . 51791 1 234 . 1 . 1 34 34 ARG CB C 13 30.481 0.3 . 1 . . . . . 326 ARG CB . 51791 1 235 . 1 . 1 34 34 ARG N N 15 123.462 0.3 . 1 . . . . . 326 ARG N . 51791 1 236 . 1 . 1 35 35 PRO C C 13 176.028 0.3 . 1 . . . . . 327 PRO C . 51791 1 237 . 1 . 1 35 35 PRO CA C 13 62.317 0.3 . 1 . . . . . 327 PRO CA . 51791 1 238 . 1 . 1 35 35 PRO CB C 13 31.281 0.3 . 1 . . . . . 327 PRO CB . 51791 1 239 . 1 . 1 36 36 TRP H H 1 8.159 0.020 . 1 . . . . . 328 TRP H . 51791 1 240 . 1 . 1 36 36 TRP HA H 1 4.682 0.020 . 1 . . . . . 328 TRP HA . 51791 1 241 . 1 . 1 36 36 TRP HB2 H 1 2.550 0.020 . 1 . . . . . 328 TRP HB2 . 51791 1 242 . 1 . 1 36 36 TRP C C 13 174.539 0.3 . 1 . . . . . 328 TRP C . 51791 1 243 . 1 . 1 36 36 TRP CA C 13 57.296 0.3 . 1 . . . . . 328 TRP CA . 51791 1 244 . 1 . 1 36 36 TRP CB C 13 29.162 0.3 . 1 . . . . . 328 TRP CB . 51791 1 245 . 1 . 1 36 36 TRP N N 15 125.743 0.3 . 1 . . . . . 328 TRP N . 51791 1 246 . 1 . 1 37 37 ASN H H 1 6.018 0.020 . 1 . . . . . 329 ASN H . 51791 1 247 . 1 . 1 37 37 ASN C C 13 171.436 0.3 . 1 . . . . . 329 ASN C . 51791 1 248 . 1 . 1 37 37 ASN CA C 13 50.636 0.3 . 1 . . . . . 329 ASN CA . 51791 1 249 . 1 . 1 37 37 ASN CB C 13 38.835 0.3 . 1 . . . . . 329 ASN CB . 51791 1 250 . 1 . 1 37 37 ASN N N 15 123.972 0.3 . 1 . . . . . 329 ASN N . 51791 1 251 . 1 . 1 38 38 PRO HB2 H 1 2.234 0.020 . 1 . . . . . 330 PRO HB2 . 51791 1 252 . 1 . 1 38 38 PRO HG2 H 1 1.775 0.020 . 1 . . . . . 330 PRO HG2 . 51791 1 253 . 1 . 1 38 38 PRO HD2 H 1 3.292 0.020 . 1 . . . . . 330 PRO HD2 . 51791 1 254 . 1 . 1 38 38 PRO C C 13 176.698 0.3 . 1 . . . . . 330 PRO C . 51791 1 255 . 1 . 1 38 38 PRO CA C 13 63.676 0.3 . 1 . . . . . 330 PRO CA . 51791 1 256 . 1 . 1 38 38 PRO CB C 13 30.890 0.3 . 1 . . . . . 330 PRO CB . 51791 1 257 . 1 . 1 38 38 PRO CG C 13 26.403 0.3 . 1 . . . . . 330 PRO CG . 51791 1 258 . 1 . 1 39 39 GLU H H 1 7.697 0.020 . 1 . . . . . 331 GLU H . 51791 1 259 . 1 . 1 39 39 GLU HA H 1 3.429 0.020 . 1 . . . . . 331 GLU HA . 51791 1 260 . 1 . 1 39 39 GLU HB2 H 1 1.971 0.020 . 1 . . . . . 331 GLU HB2 . 51791 1 261 . 1 . 1 39 39 GLU C C 13 176.149 0.3 . 1 . . . . . 331 GLU C . 51791 1 262 . 1 . 1 39 39 GLU CA C 13 55.232 0.3 . 1 . . . . . 331 GLU CA . 51791 1 263 . 1 . 1 39 39 GLU CB C 13 28.347 0.3 . 1 . . . . . 331 GLU CB . 51791 1 264 . 1 . 1 39 39 GLU CG C 13 36.115 0.3 . 1 . . . . . 331 GLU CG . 51791 1 265 . 1 . 1 39 39 GLU N N 15 116.896 0.3 . 1 . . . . . 331 GLU N . 51791 1 266 . 1 . 1 40 40 ILE H H 1 6.920 0.020 . 1 . . . . . 332 ILE H . 51791 1 267 . 1 . 1 40 40 ILE HB H 1 1.590 0.020 . 1 . . . . . 332 ILE HB . 51791 1 268 . 1 . 1 40 40 ILE HG21 H 1 0.687 0.020 . 1 . . . . . 332 ILE HG2 . 51791 1 269 . 1 . 1 40 40 ILE HG22 H 1 0.687 0.020 . 1 . . . . . 332 ILE HG2 . 51791 1 270 . 1 . 1 40 40 ILE HG23 H 1 0.687 0.020 . 1 . . . . . 332 ILE HG2 . 51791 1 271 . 1 . 1 40 40 ILE C C 13 174.823 0.3 . 1 . . . . . 332 ILE C . 51791 1 272 . 1 . 1 40 40 ILE CA C 13 60.920 0.3 . 1 . . . . . 332 ILE CA . 51791 1 273 . 1 . 1 40 40 ILE CB C 13 37.393 0.3 . 1 . . . . . 332 ILE CB . 51791 1 274 . 1 . 1 40 40 ILE CG1 C 13 27.574 0.3 . 1 . . . . . 332 ILE CG1 . 51791 1 275 . 1 . 1 40 40 ILE CG2 C 13 16.154 0.3 . 1 . . . . . 332 ILE CG2 . 51791 1 276 . 1 . 1 40 40 ILE CD1 C 13 13.267 0.3 . 1 . . . . . 332 ILE CD1 . 51791 1 277 . 1 . 1 40 40 ILE N N 15 122.205 0.3 . 1 . . . . . 332 ILE N . 51791 1 278 . 1 . 1 41 41 THR H H 1 8.009 0.020 . 1 . . . . . 333 THR H . 51791 1 279 . 1 . 1 41 41 THR HA H 1 4.248 0.020 . 1 . . . . . 333 THR HA . 51791 1 280 . 1 . 1 41 41 THR HG21 H 1 1.013 0.020 . 1 . . . . . 333 THR HG2 . 51791 1 281 . 1 . 1 41 41 THR HG22 H 1 1.013 0.020 . 1 . . . . . 333 THR HG2 . 51791 1 282 . 1 . 1 41 41 THR HG23 H 1 1.013 0.020 . 1 . . . . . 333 THR HG2 . 51791 1 283 . 1 . 1 41 41 THR C C 13 173.751 0.3 . 1 . . . . . 333 THR C . 51791 1 284 . 1 . 1 41 41 THR CA C 13 59.975 0.3 . 1 . . . . . 333 THR CA . 51791 1 285 . 1 . 1 41 41 THR CB C 13 69.357 0.3 . 1 . . . . . 333 THR CB . 51791 1 286 . 1 . 1 41 41 THR CG2 C 13 20.869 0.3 . 1 . . . . . 333 THR CG2 . 51791 1 287 . 1 . 1 41 41 THR N N 15 122.190 0.3 . 1 . . . . . 333 THR N . 51791 1 288 . 1 . 1 42 42 LEU H H 1 8.470 0.020 . 1 . . . . . 334 LEU H . 51791 1 289 . 1 . 1 42 42 LEU HA H 1 4.270 0.020 . 1 . . . . . 334 LEU HA . 51791 1 290 . 1 . 1 42 42 LEU C C 13 174.545 0.3 . 1 . . . . . 334 LEU C . 51791 1 291 . 1 . 1 42 42 LEU CA C 13 52.063 0.3 . 1 . . . . . 334 LEU CA . 51791 1 292 . 1 . 1 42 42 LEU CB C 13 39.566 0.3 . 1 . . . . . 334 LEU CB . 51791 1 293 . 1 . 1 42 42 LEU N N 15 128.138 0.3 . 1 . . . . . 334 LEU N . 51791 1 294 . 1 . 1 43 43 PRO HA H 1 4.355 0.020 . 1 . . . . . 335 PRO HA . 51791 1 295 . 1 . 1 43 43 PRO HB2 H 1 1.665 0.020 . 1 . . . . . 335 PRO HB2 . 51791 1 296 . 1 . 1 43 43 PRO C C 13 176.243 0.3 . 1 . . . . . 335 PRO C . 51791 1 297 . 1 . 1 43 43 PRO CA C 13 61.737 0.3 . 1 . . . . . 335 PRO CA . 51791 1 298 . 1 . 1 43 43 PRO CB C 13 31.080 0.3 . 1 . . . . . 335 PRO CB . 51791 1 299 . 1 . 1 44 44 GLN H H 1 8.419 0.020 . 1 . . . . . 336 GLN H . 51791 1 300 . 1 . 1 44 44 GLN HA H 1 3.894 0.020 . 1 . . . . . 336 GLN HA . 51791 1 301 . 1 . 1 44 44 GLN HB2 H 1 2.054 0.020 . 1 . . . . . 336 GLN HB2 . 51791 1 302 . 1 . 1 44 44 GLN HG2 H 1 2.277 0.020 . 1 . . . . . 336 GLN HG2 . 51791 1 303 . 1 . 1 44 44 GLN C C 13 176.041 0.3 . 1 . . . . . 336 GLN C . 51791 1 304 . 1 . 1 44 44 GLN CA C 13 57.254 0.3 . 1 . . . . . 336 GLN CA . 51791 1 305 . 1 . 1 44 44 GLN CB C 13 27.633 0.3 . 1 . . . . . 336 GLN CB . 51791 1 306 . 1 . 1 44 44 GLN CG C 13 33.086 0.3 . 1 . . . . . 336 GLN CG . 51791 1 307 . 1 . 1 44 44 GLN N N 15 122.300 0.3 . 1 . . . . . 336 GLN N . 51791 1 308 . 1 . 1 45 45 ASP H H 1 8.501 0.020 . 1 . . . . . 337 ASP H . 51791 1 309 . 1 . 1 45 45 ASP HB2 H 1 2.865 0.020 . 2 . . . . . 337 ASP HB2 . 51791 1 310 . 1 . 1 45 45 ASP HB3 H 1 2.650 0.020 . 2 . . . . . 337 ASP HB3 . 51791 1 311 . 1 . 1 45 45 ASP C C 13 174.008 0.3 . 1 . . . . . 337 ASP C . 51791 1 312 . 1 . 1 45 45 ASP CA C 13 53.796 0.3 . 1 . . . . . 337 ASP CA . 51791 1 313 . 1 . 1 45 45 ASP CB C 13 38.492 0.3 . 1 . . . . . 337 ASP CB . 51791 1 314 . 1 . 1 45 45 ASP N N 15 117.920 0.3 . 1 . . . . . 337 ASP N . 51791 1 315 . 1 . 1 46 46 ALA H H 1 7.312 0.020 . 1 . . . . . 338 ALA H . 51791 1 316 . 1 . 1 46 46 ALA HB1 H 1 0.979 0.020 . 1 . . . . . 338 ALA HB . 51791 1 317 . 1 . 1 46 46 ALA HB2 H 1 0.979 0.020 . 1 . . . . . 338 ALA HB . 51791 1 318 . 1 . 1 46 46 ALA HB3 H 1 0.979 0.020 . 1 . . . . . 338 ALA HB . 51791 1 319 . 1 . 1 46 46 ALA C C 13 176.934 0.3 . 1 . . . . . 338 ALA C . 51791 1 320 . 1 . 1 46 46 ALA CA C 13 50.727 0.3 . 1 . . . . . 338 ALA CA . 51791 1 321 . 1 . 1 46 46 ALA CB C 13 21.349 0.3 . 1 . . . . . 338 ALA CB . 51791 1 322 . 1 . 1 46 46 ALA N N 15 121.583 0.3 . 1 . . . . . 338 ALA N . 51791 1 323 . 1 . 1 47 47 GLU H H 1 8.712 0.020 . 1 . . . . . 339 GLU H . 51791 1 324 . 1 . 1 47 47 GLU HB2 H 1 2.027 0.020 . 1 . . . . . 339 GLU HB2 . 51791 1 325 . 1 . 1 47 47 GLU HG2 H 1 2.140 0.020 . 1 . . . . . 339 GLU HG2 . 51791 1 326 . 1 . 1 47 47 GLU C C 13 175.271 0.3 . 1 . . . . . 339 GLU C . 51791 1 327 . 1 . 1 47 47 GLU CA C 13 53.811 0.3 . 1 . . . . . 339 GLU CA . 51791 1 328 . 1 . 1 47 47 GLU CB C 13 31.657 0.3 . 1 . . . . . 339 GLU CB . 51791 1 329 . 1 . 1 47 47 GLU CG C 13 35.560 0.3 . 1 . . . . . 339 GLU CG . 51791 1 330 . 1 . 1 47 47 GLU N N 15 121.769 0.3 . 1 . . . . . 339 GLU N . 51791 1 331 . 1 . 1 48 48 MET H H 1 9.065 0.020 . 1 . . . . . 340 MET H . 51791 1 332 . 1 . 1 48 48 MET HA H 1 4.666 0.020 . 1 . . . . . 340 MET HA . 51791 1 333 . 1 . 1 48 48 MET C C 13 175.252 0.3 . 1 . . . . . 340 MET C . 51791 1 334 . 1 . 1 48 48 MET CA C 13 57.355 0.3 . 1 . . . . . 340 MET CA . 51791 1 335 . 1 . 1 48 48 MET CB C 13 32.753 0.3 . 1 . . . . . 340 MET CB . 51791 1 336 . 1 . 1 48 48 MET CE C 13 17.459 0.3 . 1 . . . . . 340 MET CE . 51791 1 337 . 1 . 1 48 48 MET N N 15 128.276 0.3 . 1 . . . . . 340 MET N . 51791 1 338 . 1 . 1 49 49 LEU H H 1 9.304 0.020 . 1 . . . . . 341 LEU H . 51791 1 339 . 1 . 1 49 49 LEU HB2 H 1 1.584 0.020 . 1 . . . . . 341 LEU HB2 . 51791 1 340 . 1 . 1 49 49 LEU HD21 H 1 0.745 0.020 . 1 . . . . . 341 LEU HD2 . 51791 1 341 . 1 . 1 49 49 LEU HD22 H 1 0.745 0.020 . 1 . . . . . 341 LEU HD2 . 51791 1 342 . 1 . 1 49 49 LEU HD23 H 1 0.745 0.020 . 1 . . . . . 341 LEU HD2 . 51791 1 343 . 1 . 1 49 49 LEU C C 13 176.358 0.3 . 1 . . . . . 341 LEU C . 51791 1 344 . 1 . 1 49 49 LEU CA C 13 55.817 0.3 . 1 . . . . . 341 LEU CA . 51791 1 345 . 1 . 1 49 49 LEU CB C 13 41.411 0.3 . 1 . . . . . 341 LEU CB . 51791 1 346 . 1 . 1 49 49 LEU N N 15 130.199 0.3 . 1 . . . . . 341 LEU N . 51791 1 347 . 1 . 1 50 50 PHE H H 1 7.313 0.020 . 1 . . . . . 342 PHE H . 51791 1 348 . 1 . 1 50 50 PHE HB2 H 1 2.841 0.020 . 1 . . . . . 342 PHE HB2 . 51791 1 349 . 1 . 1 50 50 PHE C C 13 173.249 0.3 . 1 . . . . . 342 PHE C . 51791 1 350 . 1 . 1 50 50 PHE CA C 13 55.508 0.3 . 1 . . . . . 342 PHE CA . 51791 1 351 . 1 . 1 50 50 PHE CB C 13 40.623 0.3 . 1 . . . . . 342 PHE CB . 51791 1 352 . 1 . 1 50 50 PHE N N 15 114.351 0.3 . 1 . . . . . 342 PHE N . 51791 1 353 . 1 . 1 51 51 ARG H H 1 9.006 0.020 . 1 . . . . . 343 ARG H . 51791 1 354 . 1 . 1 51 51 ARG HA H 1 3.627 0.020 . 1 . . . . . 343 ARG HA . 51791 1 355 . 1 . 1 51 51 ARG HB2 H 1 1.799 0.020 . 1 . . . . . 343 ARG HB2 . 51791 1 356 . 1 . 1 51 51 ARG C C 13 173.708 0.3 . 1 . . . . . 343 ARG C . 51791 1 357 . 1 . 1 51 51 ARG CA C 13 55.088 0.3 . 1 . . . . . 343 ARG CA . 51791 1 358 . 1 . 1 51 51 ARG CB C 13 31.931 0.3 . 1 . . . . . 343 ARG CB . 51791 1 359 . 1 . 1 51 51 ARG N N 15 117.198 0.3 . 1 . . . . . 343 ARG N . 51791 1 360 . 1 . 1 52 52 ASP H H 1 8.943 0.020 . 1 . . . . . 344 ASP H . 51791 1 361 . 1 . 1 52 52 ASP HB2 H 1 2.984 0.020 . 1 . . . . . 344 ASP HB2 . 51791 1 362 . 1 . 1 52 52 ASP C C 13 174.508 0.3 . 1 . . . . . 344 ASP C . 51791 1 363 . 1 . 1 52 52 ASP CA C 13 52.945 0.3 . 1 . . . . . 344 ASP CA . 51791 1 364 . 1 . 1 52 52 ASP CB C 13 40.853 0.3 . 1 . . . . . 344 ASP CB . 51791 1 365 . 1 . 1 52 52 ASP N N 15 125.033 0.3 . 1 . . . . . 344 ASP N . 51791 1 366 . 1 . 1 53 53 ASP H H 1 8.098 0.020 . 1 . . . . . 345 ASP H . 51791 1 367 . 1 . 1 53 53 ASP HA H 1 3.598 0.020 . 1 . . . . . 345 ASP HA . 51791 1 368 . 1 . 1 53 53 ASP HB2 H 1 2.627 0.020 . 1 . . . . . 345 ASP HB2 . 51791 1 369 . 1 . 1 53 53 ASP C C 13 175.423 0.3 . 1 . . . . . 345 ASP C . 51791 1 370 . 1 . 1 53 53 ASP CA C 13 54.343 0.3 . 1 . . . . . 345 ASP CA . 51791 1 371 . 1 . 1 53 53 ASP CB C 13 39.013 0.3 . 1 . . . . . 345 ASP CB . 51791 1 372 . 1 . 1 53 53 ASP N N 15 115.066 0.3 . 1 . . . . . 345 ASP N . 51791 1 373 . 1 . 1 54 54 LYS H H 1 8.814 0.020 . 1 . . . . . 346 LYS H . 51791 1 374 . 1 . 1 54 54 LYS HB2 H 1 1.457 0.020 . 1 . . . . . 346 LYS HB2 . 51791 1 375 . 1 . 1 54 54 LYS HG2 H 1 1.052 0.020 . 1 . . . . . 346 LYS HG2 . 51791 1 376 . 1 . 1 54 54 LYS HE2 H 1 2.832 0.020 . 1 . . . . . 346 LYS HE2 . 51791 1 377 . 1 . 1 54 54 LYS C C 13 176.952 0.3 . 1 . . . . . 346 LYS C . 51791 1 378 . 1 . 1 54 54 LYS CA C 13 56.743 0.3 . 1 . . . . . 346 LYS CA . 51791 1 379 . 1 . 1 54 54 LYS CB C 13 34.094 0.3 . 1 . . . . . 346 LYS CB . 51791 1 380 . 1 . 1 54 54 LYS CG C 13 23.955 0.3 . 1 . . . . . 346 LYS CG . 51791 1 381 . 1 . 1 54 54 LYS N N 15 121.852 0.3 . 1 . . . . . 346 LYS N . 51791 1 382 . 1 . 1 55 55 PHE H H 1 8.249 0.020 . 1 . . . . . 347 PHE H . 51791 1 383 . 1 . 1 55 55 PHE HA H 1 4.259 0.020 . 1 . . . . . 347 PHE HA . 51791 1 384 . 1 . 1 55 55 PHE C C 13 171.437 0.3 . 1 . . . . . 347 PHE C . 51791 1 385 . 1 . 1 55 55 PHE CA C 13 56.195 0.3 . 1 . . . . . 347 PHE CA . 51791 1 386 . 1 . 1 55 55 PHE CB C 13 40.797 0.3 . 1 . . . . . 347 PHE CB . 51791 1 387 . 1 . 1 55 55 PHE N N 15 121.189 0.3 . 1 . . . . . 347 PHE N . 51791 1 388 . 1 . 1 56 56 ILE H H 1 8.785 0.020 . 1 . . . . . 348 ILE H . 51791 1 389 . 1 . 1 56 56 ILE HA H 1 4.993 0.020 . 1 . . . . . 348 ILE HA . 51791 1 390 . 1 . 1 56 56 ILE HB H 1 1.756 0.020 . 1 . . . . . 348 ILE HB . 51791 1 391 . 1 . 1 56 56 ILE HG12 H 1 1.155 0.020 . 1 . . . . . 348 ILE HG12 . 51791 1 392 . 1 . 1 56 56 ILE HD11 H 1 1.081 0.020 . 1 . . . . . 348 ILE HD1 . 51791 1 393 . 1 . 1 56 56 ILE HD12 H 1 1.081 0.020 . 1 . . . . . 348 ILE HD1 . 51791 1 394 . 1 . 1 56 56 ILE HD13 H 1 1.081 0.020 . 1 . . . . . 348 ILE HD1 . 51791 1 395 . 1 . 1 56 56 ILE C C 13 171.268 0.3 . 1 . . . . . 348 ILE C . 51791 1 396 . 1 . 1 56 56 ILE CA C 13 58.651 0.3 . 1 . . . . . 348 ILE CA . 51791 1 397 . 1 . 1 56 56 ILE CB C 13 41.225 0.3 . 1 . . . . . 348 ILE CB . 51791 1 398 . 1 . 1 56 56 ILE CD1 C 13 14.606 0.3 . 1 . . . . . 348 ILE CD1 . 51791 1 399 . 1 . 1 56 56 ILE N N 15 116.537 0.3 . 1 . . . . . 348 ILE N . 51791 1 400 . 1 . 1 57 57 ALA H H 1 8.774 0.020 . 1 . . . . . 349 ALA H . 51791 1 401 . 1 . 1 57 57 ALA HA H 1 4.955 0.020 . 1 . . . . . 349 ALA HA . 51791 1 402 . 1 . 1 57 57 ALA HB1 H 1 1.205 0.020 . 1 . . . . . 349 ALA HB . 51791 1 403 . 1 . 1 57 57 ALA HB2 H 1 1.205 0.020 . 1 . . . . . 349 ALA HB . 51791 1 404 . 1 . 1 57 57 ALA HB3 H 1 1.205 0.020 . 1 . . . . . 349 ALA HB . 51791 1 405 . 1 . 1 57 57 ALA C C 13 176.779 0.3 . 1 . . . . . 349 ALA C . 51791 1 406 . 1 . 1 57 57 ALA CA C 13 48.844 0.3 . 1 . . . . . 349 ALA CA . 51791 1 407 . 1 . 1 57 57 ALA CB C 13 21.608 0.3 . 1 . . . . . 349 ALA CB . 51791 1 408 . 1 . 1 57 57 ALA N N 15 127.523 0.3 . 1 . . . . . 349 ALA N . 51791 1 409 . 1 . 1 58 58 TYR H H 1 9.339 0.020 . 1 . . . . . 350 TYR H . 51791 1 410 . 1 . 1 58 58 TYR HA H 1 4.461 0.020 . 1 . . . . . 350 TYR HA . 51791 1 411 . 1 . 1 58 58 TYR HB2 H 1 2.652 0.020 . 1 . . . . . 350 TYR HB2 . 51791 1 412 . 1 . 1 58 58 TYR C C 13 171.224 0.3 . 1 . . . . . 350 TYR C . 51791 1 413 . 1 . 1 58 58 TYR CA C 13 54.649 0.3 . 1 . . . . . 350 TYR CA . 51791 1 414 . 1 . 1 58 58 TYR CB C 13 40.461 0.3 . 1 . . . . . 350 TYR CB . 51791 1 415 . 1 . 1 58 58 TYR N N 15 120.613 0.3 . 1 . . . . . 350 TYR N . 51791 1 416 . 1 . 1 59 59 ARG H H 1 8.956 0.020 . 1 . . . . . 351 ARG H . 51791 1 417 . 1 . 1 59 59 ARG HA H 1 4.183 0.020 . 1 . . . . . 351 ARG HA . 51791 1 418 . 1 . 1 59 59 ARG HB2 H 1 1.718 0.020 . 1 . . . . . 351 ARG HB2 . 51791 1 419 . 1 . 1 59 59 ARG HG2 H 1 1.578 0.020 . 1 . . . . . 351 ARG HG2 . 51791 1 420 . 1 . 1 59 59 ARG HD2 H 1 3.248 0.020 . 1 . . . . . 351 ARG HD2 . 51791 1 421 . 1 . 1 59 59 ARG C C 13 175.321 0.3 . 1 . . . . . 351 ARG C . 51791 1 422 . 1 . 1 59 59 ARG CA C 13 53.013 0.3 . 1 . . . . . 351 ARG CA . 51791 1 423 . 1 . 1 59 59 ARG CB C 13 32.432 0.3 . 1 . . . . . 351 ARG CB . 51791 1 424 . 1 . 1 59 59 ARG CD C 13 43.191 0.3 . 1 . . . . . 351 ARG CD . 51791 1 425 . 1 . 1 59 59 ARG N N 15 120.426 0.3 . 1 . . . . . 351 ARG N . 51791 1 426 . 1 . 1 60 60 LEU H H 1 8.420 0.020 . 1 . . . . . 352 LEU H . 51791 1 427 . 1 . 1 60 60 LEU HA H 1 3.737 0.020 . 1 . . . . . 352 LEU HA . 51791 1 428 . 1 . 1 60 60 LEU HB2 H 1 1.450 0.020 . 1 . . . . . 352 LEU HB2 . 51791 1 429 . 1 . 1 60 60 LEU HD11 H 1 0.769 0.020 . 1 . . . . . 352 LEU HD1 . 51791 1 430 . 1 . 1 60 60 LEU HD12 H 1 0.769 0.020 . 1 . . . . . 352 LEU HD1 . 51791 1 431 . 1 . 1 60 60 LEU HD13 H 1 0.769 0.020 . 1 . . . . . 352 LEU HD1 . 51791 1 432 . 1 . 1 60 60 LEU C C 13 176.662 0.3 . 1 . . . . . 352 LEU C . 51791 1 433 . 1 . 1 60 60 LEU CA C 13 53.359 0.3 . 1 . . . . . 352 LEU CA . 51791 1 434 . 1 . 1 60 60 LEU CB C 13 41.057 0.3 . 1 . . . . . 352 LEU CB . 51791 1 435 . 1 . 1 60 60 LEU CG C 13 24.317 0.3 . 1 . . . . . 352 LEU CG . 51791 1 436 . 1 . 1 60 60 LEU CD1 C 13 22.819 0.3 . 1 . . . . . 352 LEU CD1 . 51791 1 437 . 1 . 1 60 60 LEU N N 15 125.828 0.3 . 1 . . . . . 352 LEU N . 51791 1 438 . 1 . 1 61 61 VAL H H 1 8.384 0.020 . 1 . . . . . 353 VAL H . 51791 1 439 . 1 . 1 61 61 VAL HA H 1 4.015 0.020 . 1 . . . . . 353 VAL HA . 51791 1 440 . 1 . 1 61 61 VAL HB H 1 1.927 0.020 . 1 . . . . . 353 VAL HB . 51791 1 441 . 1 . 1 61 61 VAL HG11 H 1 0.772 0.020 . 1 . . . . . 353 VAL HG1 . 51791 1 442 . 1 . 1 61 61 VAL HG12 H 1 0.772 0.020 . 1 . . . . . 353 VAL HG1 . 51791 1 443 . 1 . 1 61 61 VAL HG13 H 1 0.772 0.020 . 1 . . . . . 353 VAL HG1 . 51791 1 444 . 1 . 1 61 61 VAL C C 13 175.394 0.3 . 1 . . . . . 353 VAL C . 51791 1 445 . 1 . 1 61 61 VAL CA C 13 61.594 0.3 . 1 . . . . . 353 VAL CA . 51791 1 446 . 1 . 1 61 61 VAL CB C 13 31.582 0.3 . 1 . . . . . 353 VAL CB . 51791 1 447 . 1 . 1 61 61 VAL CG1 C 13 20.348 0.3 . 1 . . . . . 353 VAL CG1 . 51791 1 448 . 1 . 1 61 61 VAL N N 15 124.588 0.3 . 1 . . . . . 353 VAL N . 51791 1 449 . 1 . 1 62 62 LYS H H 1 8.111 0.020 . 1 . . . . . 354 LYS H . 51791 1 450 . 1 . 1 62 62 LYS C C 13 174.097 0.3 . 1 . . . . . 354 LYS C . 51791 1 451 . 1 . 1 62 62 LYS CA C 13 53.220 0.3 . 1 . . . . . 354 LYS CA . 51791 1 452 . 1 . 1 62 62 LYS CB C 13 31.571 0.3 . 1 . . . . . 354 LYS CB . 51791 1 453 . 1 . 1 62 62 LYS N N 15 127.039 0.3 . 1 . . . . . 354 LYS N . 51791 1 454 . 1 . 1 63 63 PRO HA H 1 4.276 0.020 . 1 . . . . . 355 PRO HA . 51791 1 455 . 1 . 1 63 63 PRO HB2 H 1 2.126 0.020 . 1 . . . . . 355 PRO HB2 . 51791 1 456 . 1 . 1 63 63 PRO HG2 H 1 1.848 0.020 . 1 . . . . . 355 PRO HG2 . 51791 1 457 . 1 . 1 63 63 PRO HD2 H 1 3.708 0.020 . 2 . . . . . 355 PRO HD2 . 51791 1 458 . 1 . 1 63 63 PRO HD3 H 1 3.502 0.020 . 2 . . . . . 355 PRO HD3 . 51791 1 459 . 1 . 1 63 63 PRO C C 13 176.658 0.3 . 1 . . . . . 355 PRO C . 51791 1 460 . 1 . 1 63 63 PRO CA C 13 62.356 0.3 . 1 . . . . . 355 PRO CA . 51791 1 461 . 1 . 1 63 63 PRO CB C 13 31.037 0.3 . 1 . . . . . 355 PRO CB . 51791 1 462 . 1 . 1 63 63 PRO CG C 13 26.684 0.3 . 1 . . . . . 355 PRO CG . 51791 1 463 . 1 . 1 63 63 PRO CD C 13 50.166 0.3 . 1 . . . . . 355 PRO CD . 51791 1 stop_ save_