################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 19913 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 2 '3D CBCA(CO)NH' . . . 19913 1 5 '3D 1H-15N TOCSY' . . . 19913 1 7 '3D HNCACB' . . . 19913 1 10 '3D HCCH-TOCSY' . . . 19913 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 ALA H H 1 8.304 . . . . . . A 306 ALA H . 19913 1 2 . 1 1 1 1 ALA HA H 1 4.523 . . . . . . A 306 ALA HA . 19913 1 3 . 1 1 1 1 ALA HB1 H 1 1.320 . . . . . . A 306 ALA MB . 19913 1 4 . 1 1 1 1 ALA HB2 H 1 1.320 . . . . . . A 306 ALA MB . 19913 1 5 . 1 1 1 1 ALA HB3 H 1 1.320 . . . . . . A 306 ALA MB . 19913 1 6 . 1 1 1 1 ALA CA C 13 52.562 . . . . . . A 306 ALA CA . 19913 1 7 . 1 1 1 1 ALA CB C 13 19.232 . . . . . . A 306 ALA CB . 19913 1 8 . 1 1 1 1 ALA N N 15 126.686 . . . . . . A 306 ALA N . 19913 1 9 . 1 1 2 2 VAL H H 1 7.872 . . . . . . A 307 VAL H . 19913 1 10 . 1 1 2 2 VAL HA H 1 3.991 . . . . . . A 307 VAL HA . 19913 1 11 . 1 1 2 2 VAL HB H 1 1.962 . . . . . . A 307 VAL HB . 19913 1 12 . 1 1 2 2 VAL HG11 H 1 0.788 . . . . . . A 307 VAL HG12 . 19913 1 13 . 1 1 2 2 VAL HG12 H 1 0.788 . . . . . . A 307 VAL HG12 . 19913 1 14 . 1 1 2 2 VAL HG13 H 1 0.788 . . . . . . A 307 VAL HG12 . 19913 1 15 . 1 1 2 2 VAL C C 13 177.476 . . . . . . A 307 VAL C . 19913 1 16 . 1 1 2 2 VAL CA C 13 62.065 . . . . . . A 307 VAL CA . 19913 1 17 . 1 1 2 2 VAL CB C 13 32.788 . . . . . . A 307 VAL CB . 19913 1 18 . 1 1 2 2 VAL CG1 C 13 20.333 . . . . . . A 307 VAL CG1 . 19913 1 19 . 1 1 2 2 VAL N N 15 118.179 . . . . . . A 307 VAL N . 19913 1 20 . 1 1 3 3 ASP H H 1 8.107 . . . . . . A 308 ASP H . 19913 1 21 . 1 1 3 3 ASP HA H 1 4.404 . . . . . . A 308 ASP HA . 19913 1 22 . 1 1 3 3 ASP HB2 H 1 2.420 . . . . . . A 308 ASP HB2 . 19913 1 23 . 1 1 3 3 ASP C C 13 175.590 . . . . . . A 308 ASP C . 19913 1 24 . 1 1 3 3 ASP CA C 13 54.414 . . . . . . A 308 ASP CA . 19913 1 25 . 1 1 3 3 ASP CB C 13 41.163 . . . . . . A 308 ASP CB . 19913 1 26 . 1 1 3 3 ASP N N 15 123.079 . . . . . . A 308 ASP N . 19913 1 27 . 1 1 4 4 LEU H H 1 7.782 . . . . . . A 309 LEU H . 19913 1 28 . 1 1 4 4 LEU HA H 1 4.122 . . . . . . A 309 LEU HA . 19913 1 29 . 1 1 4 4 LEU HB2 H 1 1.301 . . . . . . A 309 LEU HB2 . 19913 1 30 . 1 1 4 4 LEU HB3 H 1 1.246 . . . . . . A 309 LEU HB3 . 19913 1 31 . 1 1 4 4 LEU HG H 1 1.301 . . . . . . A 309 LEU HG . 19913 1 32 . 1 1 4 4 LEU HD11 H 1 0.711 . . . . . . A 309 LEU HD12 . 19913 1 33 . 1 1 4 4 LEU HD12 H 1 0.711 . . . . . . A 309 LEU HD12 . 19913 1 34 . 1 1 4 4 LEU HD13 H 1 0.711 . . . . . . A 309 LEU HD12 . 19913 1 35 . 1 1 4 4 LEU C C 13 175.120 . . . . . . A 309 LEU C . 19913 1 36 . 1 1 4 4 LEU CA C 13 54.941 . . . . . . A 309 LEU CA . 19913 1 37 . 1 1 4 4 LEU CB C 13 42.747 . . . . . . A 309 LEU CB . 19913 1 38 . 1 1 4 4 LEU CG C 13 26.766 . . . . . . A 309 LEU CG . 19913 1 39 . 1 1 4 4 LEU N N 15 121.827 . . . . . . A 309 LEU N . 19913 1 40 . 1 1 5 5 TYR H H 1 7.972 . . . . . . A 310 TYR H . 19913 1 41 . 1 1 5 5 TYR HA H 1 4.488 . . . . . . A 310 TYR HA . 19913 1 42 . 1 1 5 5 TYR HB2 H 1 2.857 . . . . . . A 310 TYR HB2 . 19913 1 43 . 1 1 5 5 TYR HB3 H 1 2.631 . . . . . . A 310 TYR HB3 . 19913 1 44 . 1 1 5 5 TYR HD1 H 1 7.130 . . . . . . A 310 TYR HD1 . 19913 1 45 . 1 1 5 5 TYR HD2 H 1 7.074 . . . . . . A 310 TYR HD2 . 19913 1 46 . 1 1 5 5 TYR HE1 H 1 6.853 . . . . . . A 310 TYR HE1 . 19913 1 47 . 1 1 5 5 TYR HE2 H 1 6.719 . . . . . . A 310 TYR HE2 . 19913 1 48 . 1 1 5 5 TYR C C 13 176.521 . . . . . . A 310 TYR C . 19913 1 49 . 1 1 5 5 TYR CA C 13 57.274 . . . . . . A 310 TYR CA . 19913 1 50 . 1 1 5 5 TYR CB C 13 38.499 . . . . . . A 310 TYR CB . 19913 1 51 . 1 1 5 5 TYR N N 15 121.643 . . . . . . A 310 TYR N . 19913 1 52 . 1 1 6 6 VAL H H 1 7.770 . . . . . . A 311 VAL H . 19913 1 53 . 1 1 6 6 VAL HA H 1 3.942 . . . . . . A 311 VAL HA . 19913 1 54 . 1 1 6 6 VAL HB H 1 1.429 . . . . . . A 311 VAL HB . 19913 1 55 . 1 1 6 6 VAL HG11 H 1 0.547 . . . . . . A 311 VAL HG12 . 19913 1 56 . 1 1 6 6 VAL HG12 H 1 0.547 . . . . . . A 311 VAL HG12 . 19913 1 57 . 1 1 6 6 VAL HG13 H 1 0.547 . . . . . . A 311 VAL HG12 . 19913 1 58 . 1 1 6 6 VAL HG21 H 1 0.523 . . . . . . A 311 VAL HG22 . 19913 1 59 . 1 1 6 6 VAL HG22 H 1 0.523 . . . . . . A 311 VAL HG22 . 19913 1 60 . 1 1 6 6 VAL HG23 H 1 0.523 . . . . . . A 311 VAL HG22 . 19913 1 61 . 1 1 6 6 VAL C C 13 174.625 . . . . . . A 311 VAL C . 19913 1 62 . 1 1 6 6 VAL CA C 13 59.412 . . . . . . A 311 VAL CA . 19913 1 63 . 1 1 6 6 VAL CB C 13 35.267 . . . . . . A 311 VAL CB . 19913 1 64 . 1 1 6 6 VAL CG1 C 13 21.206 . . . . . . A 311 VAL CG1 . 19913 1 65 . 1 1 6 6 VAL CG2 C 13 19.330 . . . . . . A 311 VAL CG2 . 19913 1 66 . 1 1 6 6 VAL N N 15 116.085 . . . . . . A 311 VAL N . 19913 1 67 . 1 1 7 7 CYS H H 1 7.352 . . . . . . A 312 CYS H . 19913 1 68 . 1 1 7 7 CYS HA H 1 3.687 . . . . . . A 312 CYS HA . 19913 1 69 . 1 1 7 7 CYS HB2 H 1 3.295 . . . . . . A 312 CYS HB2 . 19913 1 70 . 1 1 7 7 CYS HB3 H 1 1.730 . . . . . . A 312 CYS HB3 . 19913 1 71 . 1 1 7 7 CYS C C 13 173.885 . . . . . . A 312 CYS C . 19913 1 72 . 1 1 7 7 CYS CA C 13 58.177 . . . . . . A 312 CYS CA . 19913 1 73 . 1 1 7 7 CYS CB C 13 31.625 . . . . . . A 312 CYS CB . 19913 1 74 . 1 1 7 7 CYS N N 15 125.869 . . . . . . A 312 CYS N . 19913 1 75 . 1 1 8 8 LEU H H 1 8.618 . . . . . . A 313 LEU H . 19913 1 76 . 1 1 8 8 LEU HA H 1 3.837 . . . . . . A 313 LEU HA . 19913 1 77 . 1 1 8 8 LEU HB2 H 1 1.036 . . . . . . A 313 LEU HB2 . 19913 1 78 . 1 1 8 8 LEU HB3 H 1 1.286 . . . . . . A 313 LEU HB3 . 19913 1 79 . 1 1 8 8 LEU HD11 H 1 0.138 . . . . . . A 313 LEU HD12 . 19913 1 80 . 1 1 8 8 LEU HD12 H 1 0.138 . . . . . . A 313 LEU HD12 . 19913 1 81 . 1 1 8 8 LEU HD13 H 1 0.138 . . . . . . A 313 LEU HD12 . 19913 1 82 . 1 1 8 8 LEU HD21 H 1 0.782 . . . . . . A 313 LEU HD22 . 19913 1 83 . 1 1 8 8 LEU HD22 H 1 0.782 . . . . . . A 313 LEU HD22 . 19913 1 84 . 1 1 8 8 LEU HD23 H 1 0.782 . . . . . . A 313 LEU HD22 . 19913 1 85 . 1 1 8 8 LEU C C 13 177.490 . . . . . . A 313 LEU C . 19913 1 86 . 1 1 8 8 LEU CA C 13 57.097 . . . . . . A 313 LEU CA . 19913 1 87 . 1 1 8 8 LEU CB C 13 42.940 . . . . . . A 313 LEU CB . 19913 1 88 . 1 1 8 8 LEU CD2 C 13 24.434 . . . . . . A 313 LEU CD2 . 19913 1 89 . 1 1 8 8 LEU N N 15 131.350 . . . . . . A 313 LEU N . 19913 1 90 . 1 1 9 9 LEU H H 1 8.416 . . . . . . A 314 LEU H . 19913 1 91 . 1 1 9 9 LEU HA H 1 4.379 . . . . . . A 314 LEU HA . 19913 1 92 . 1 1 9 9 LEU HB2 H 1 1.748 . . . . . . A 314 LEU HB2 . 19913 1 93 . 1 1 9 9 LEU HB3 H 1 1.602 . . . . . . A 314 LEU HB3 . 19913 1 94 . 1 1 9 9 LEU HG H 1 1.771 . . . . . . A 314 LEU HG . 19913 1 95 . 1 1 9 9 LEU HD11 H 1 0.928 . . . . . . A 314 LEU HD12 . 19913 1 96 . 1 1 9 9 LEU HD12 H 1 0.928 . . . . . . A 314 LEU HD12 . 19913 1 97 . 1 1 9 9 LEU HD13 H 1 0.928 . . . . . . A 314 LEU HD12 . 19913 1 98 . 1 1 9 9 LEU HD21 H 1 1.025 . . . . . . A 314 LEU HD22 . 19913 1 99 . 1 1 9 9 LEU HD22 H 1 1.025 . . . . . . A 314 LEU HD22 . 19913 1 100 . 1 1 9 9 LEU HD23 H 1 1.025 . . . . . . A 314 LEU HD22 . 19913 1 101 . 1 1 9 9 LEU C C 13 178.028 . . . . . . A 314 LEU C . 19913 1 102 . 1 1 9 9 LEU CA C 13 56.444 . . . . . . A 314 LEU CA . 19913 1 103 . 1 1 9 9 LEU CB C 13 42.651 . . . . . . A 314 LEU CB . 19913 1 104 . 1 1 9 9 LEU CG C 13 27.240 . . . . . . A 314 LEU CG . 19913 1 105 . 1 1 9 9 LEU CD1 C 13 22.121 . . . . . . A 314 LEU CD1 . 19913 1 106 . 1 1 9 9 LEU CD2 C 13 26.355 . . . . . . A 314 LEU CD2 . 19913 1 107 . 1 1 9 9 LEU N N 15 118.835 . . . . . . A 314 LEU N . 19913 1 108 . 1 1 10 10 CYS H H 1 8.083 . . . . . . A 315 CYS H . 19913 1 109 . 1 1 10 10 CYS HA H 1 4.987 . . . . . . A 315 CYS HA . 19913 1 110 . 1 1 10 10 CYS HB2 H 1 3.229 . . . . . . A 315 CYS HB2 . 19913 1 111 . 1 1 10 10 CYS HB3 H 1 3.068 . . . . . . A 315 CYS HB3 . 19913 1 112 . 1 1 10 10 CYS C C 13 178.187 . . . . . . A 315 CYS C . 19913 1 113 . 1 1 10 10 CYS CA C 13 58.518 . . . . . . A 315 CYS CA . 19913 1 114 . 1 1 10 10 CYS CB C 13 31.441 . . . . . . A 315 CYS CB . 19913 1 115 . 1 1 10 10 CYS N N 15 117.699 . . . . . . A 315 CYS N . 19913 1 116 . 1 1 11 11 GLY H H 1 7.964 . . . . . . A 316 GLY H . 19913 1 117 . 1 1 11 11 GLY HA2 H 1 4.034 . . . . . . A 316 GLY HA2 . 19913 1 118 . 1 1 11 11 GLY HA3 H 1 3.709 . . . . . . A 316 GLY HA3 . 19913 1 119 . 1 1 11 11 GLY C C 13 177.322 . . . . . . A 316 GLY C . 19913 1 120 . 1 1 11 11 GLY CA C 13 46.379 . . . . . . A 316 GLY CA . 19913 1 121 . 1 1 11 11 GLY N N 15 113.759 . . . . . . A 316 GLY N . 19913 1 122 . 1 1 12 12 SER H H 1 8.396 . . . . . . A 317 SER H . 19913 1 123 . 1 1 12 12 SER HA H 1 4.799 . . . . . . A 317 SER HA . 19913 1 124 . 1 1 12 12 SER HB2 H 1 3.893 . . . . . . A 317 SER HB2 . 19913 1 125 . 1 1 12 12 SER HB3 H 1 4.180 . . . . . . A 317 SER HB3 . 19913 1 126 . 1 1 12 12 SER C C 13 173.213 . . . . . . A 317 SER C . 19913 1 127 . 1 1 12 12 SER CA C 13 56.714 . . . . . . A 317 SER CA . 19913 1 128 . 1 1 12 12 SER CB C 13 65.016 . . . . . . A 317 SER CB . 19913 1 129 . 1 1 12 12 SER N N 15 116.224 . . . . . . A 317 SER N . 19913 1 130 . 1 1 13 13 GLY H H 1 8.995 . . . . . . A 318 GLY H . 19913 1 131 . 1 1 13 13 GLY HA2 H 1 4.580 . . . . . . A 318 GLY HA2 . 19913 1 132 . 1 1 13 13 GLY HA3 H 1 3.640 . . . . . . A 318 GLY HA3 . 19913 1 133 . 1 1 13 13 GLY C C 13 175.280 . . . . . . A 318 GLY C . 19913 1 134 . 1 1 13 13 GLY CA C 13 44.964 . . . . . . A 318 GLY CA . 19913 1 135 . 1 1 13 13 GLY N N 15 115.779 . . . . . . A 318 GLY N . 19913 1 136 . 1 1 14 14 ASN H H 1 8.100 . . . . . . A 319 ASN H . 19913 1 137 . 1 1 14 14 ASN HA H 1 4.755 . . . . . . A 319 ASN HA . 19913 1 138 . 1 1 14 14 ASN HB2 H 1 2.888 . . . . . . A 319 ASN HB2 . 19913 1 139 . 1 1 14 14 ASN HB3 H 1 2.687 . . . . . . A 319 ASN HB3 . 19913 1 140 . 1 1 14 14 ASN HD21 H 1 6.909 . . . . . . A 319 ASN HD21 . 19913 1 141 . 1 1 14 14 ASN HD22 H 1 7.681 . . . . . . A 319 ASN HD22 . 19913 1 142 . 1 1 14 14 ASN C C 13 174.299 . . . . . . A 319 ASN C . 19913 1 143 . 1 1 14 14 ASN CA C 13 52.580 . . . . . . A 319 ASN CA . 19913 1 144 . 1 1 14 14 ASN CB C 13 38.665 . . . . . . A 319 ASN CB . 19913 1 145 . 1 1 14 14 ASN N N 15 117.359 . . . . . . A 319 ASN N . 19913 1 146 . 1 1 14 14 ASN ND2 N 15 113.587 . . . . . . A 319 ASN ND2 . 19913 1 147 . 1 1 15 15 ASP H H 1 9.018 . . . . . . A 320 ASP H . 19913 1 148 . 1 1 15 15 ASP HA H 1 4.273 . . . . . . A 320 ASP HA . 19913 1 149 . 1 1 15 15 ASP HB2 H 1 2.808 . . . . . . A 320 ASP HB2 . 19913 1 150 . 1 1 15 15 ASP HB3 H 1 2.549 . . . . . . A 320 ASP HB3 . 19913 1 151 . 1 1 15 15 ASP C C 13 173.489 . . . . . . A 320 ASP C . 19913 1 152 . 1 1 15 15 ASP CA C 13 55.882 . . . . . . A 320 ASP CA . 19913 1 153 . 1 1 15 15 ASP CB C 13 40.111 . . . . . . A 320 ASP CB . 19913 1 154 . 1 1 15 15 ASP N N 15 117.365 . . . . . . A 320 ASP N . 19913 1 155 . 1 1 16 16 GLU H H 1 9.270 . . . . . . A 321 GLU H . 19913 1 156 . 1 1 16 16 GLU HA H 1 3.803 . . . . . . A 321 GLU HA . 19913 1 157 . 1 1 16 16 GLU HB2 H 1 2.099 . . . . . . A 321 GLU HB2 . 19913 1 158 . 1 1 16 16 GLU HB3 H 1 2.012 . . . . . . A 321 GLU HB3 . 19913 1 159 . 1 1 16 16 GLU HG2 H 1 2.324 . . . . . . A 321 GLU HG2 . 19913 1 160 . 1 1 16 16 GLU HG3 H 1 2.391 . . . . . . A 321 GLU HG3 . 19913 1 161 . 1 1 16 16 GLU C C 13 177.041 . . . . . . A 321 GLU C . 19913 1 162 . 1 1 16 16 GLU CA C 13 59.903 . . . . . . A 321 GLU CA . 19913 1 163 . 1 1 16 16 GLU CB C 13 28.634 . . . . . . A 321 GLU CB . 19913 1 164 . 1 1 16 16 GLU CG C 13 35.954 . . . . . . A 321 GLU CG . 19913 1 165 . 1 1 16 16 GLU N N 15 117.886 . . . . . . A 321 GLU N . 19913 1 166 . 1 1 17 17 ASP H H 1 8.963 . . . . . . A 322 ASP H . 19913 1 167 . 1 1 17 17 ASP HA H 1 4.357 . . . . . . A 322 ASP HA . 19913 1 168 . 1 1 17 17 ASP HB2 H 1 2.642 . . . . . . A 322 ASP HB2 . 19913 1 169 . 1 1 17 17 ASP HB3 H 1 2.675 . . . . . . A 322 ASP HB3 . 19913 1 170 . 1 1 17 17 ASP C C 13 178.105 . . . . . . A 322 ASP C . 19913 1 171 . 1 1 17 17 ASP CA C 13 55.433 . . . . . . A 322 ASP CA . 19913 1 172 . 1 1 17 17 ASP CB C 13 39.282 . . . . . . A 322 ASP CB . 19913 1 173 . 1 1 17 17 ASP N N 15 118.832 . . . . . . A 322 ASP N . 19913 1 174 . 1 1 18 18 ARG H H 1 8.036 . . . . . . A 323 ARG H . 19913 1 175 . 1 1 18 18 ARG HA H 1 4.305 . . . . . . A 323 ARG HA . 19913 1 176 . 1 1 18 18 ARG HB2 H 1 1.649 . . . . . . A 323 ARG HB2 . 19913 1 177 . 1 1 18 18 ARG HG2 H 1 1.598 . . . . . . A 323 ARG HG2 . 19913 1 178 . 1 1 18 18 ARG HD2 H 1 3.178 . . . . . . A 323 ARG HD2 . 19913 1 179 . 1 1 18 18 ARG HD3 H 1 3.093 . . . . . . A 323 ARG HD3 . 19913 1 180 . 1 1 18 18 ARG C C 13 176.878 . . . . . . A 323 ARG C . 19913 1 181 . 1 1 18 18 ARG CA C 13 54.828 . . . . . . A 323 ARG CA . 19913 1 182 . 1 1 18 18 ARG CB C 13 30.492 . . . . . . A 323 ARG CB . 19913 1 183 . 1 1 18 18 ARG CG C 13 27.609 . . . . . . A 323 ARG CG . 19913 1 184 . 1 1 18 18 ARG CD C 13 43.576 . . . . . . A 323 ARG CD . 19913 1 185 . 1 1 18 18 ARG N N 15 119.537 . . . . . . A 323 ARG N . 19913 1 186 . 1 1 19 19 LEU H H 1 7.184 . . . . . . A 324 LEU H . 19913 1 187 . 1 1 19 19 LEU HA H 1 4.128 . . . . . . A 324 LEU HA . 19913 1 188 . 1 1 19 19 LEU HB2 H 1 1.190 . . . . . . A 324 LEU HB2 . 19913 1 189 . 1 1 19 19 LEU HB3 H 1 1.590 . . . . . . A 324 LEU HB3 . 19913 1 190 . 1 1 19 19 LEU HG H 1 1.087 . . . . . . A 324 LEU HG . 19913 1 191 . 1 1 19 19 LEU HD11 H 1 0.165 . . . . . . A 324 LEU HD12 . 19913 1 192 . 1 1 19 19 LEU HD12 H 1 0.165 . . . . . . A 324 LEU HD12 . 19913 1 193 . 1 1 19 19 LEU HD13 H 1 0.165 . . . . . . A 324 LEU HD12 . 19913 1 194 . 1 1 19 19 LEU HD21 H 1 0.262 . . . . . . A 324 LEU HD22 . 19913 1 195 . 1 1 19 19 LEU HD22 H 1 0.262 . . . . . . A 324 LEU HD22 . 19913 1 196 . 1 1 19 19 LEU HD23 H 1 0.262 . . . . . . A 324 LEU HD22 . 19913 1 197 . 1 1 19 19 LEU C C 13 173.644 . . . . . . A 324 LEU C . 19913 1 198 . 1 1 19 19 LEU CA C 13 54.516 . . . . . . A 324 LEU CA . 19913 1 199 . 1 1 19 19 LEU CB C 13 43.186 . . . . . . A 324 LEU CB . 19913 1 200 . 1 1 19 19 LEU CG C 13 25.773 . . . . . . A 324 LEU CG . 19913 1 201 . 1 1 19 19 LEU CD1 C 13 24.110 . . . . . . A 324 LEU CD1 . 19913 1 202 . 1 1 19 19 LEU CD2 C 13 24.966 . . . . . . A 324 LEU CD2 . 19913 1 203 . 1 1 19 19 LEU N N 15 122.512 . . . . . . A 324 LEU N . 19913 1 204 . 1 1 20 20 LEU H H 1 8.663 . . . . . . A 325 LEU H . 19913 1 205 . 1 1 20 20 LEU HA H 1 4.085 . . . . . . A 325 LEU HA . 19913 1 206 . 1 1 20 20 LEU HB2 H 1 0.943 . . . . . . A 325 LEU HB2 . 19913 1 207 . 1 1 20 20 LEU HB3 H 1 0.399 . . . . . . A 325 LEU HB3 . 19913 1 208 . 1 1 20 20 LEU HD11 H 1 -0.597 . . . . . . A 325 LEU HD12 . 19913 1 209 . 1 1 20 20 LEU HD12 H 1 -0.597 . . . . . . A 325 LEU HD12 . 19913 1 210 . 1 1 20 20 LEU HD13 H 1 -0.597 . . . . . . A 325 LEU HD12 . 19913 1 211 . 1 1 20 20 LEU HD21 H 1 0.212 . . . . . . A 325 LEU HD22 . 19913 1 212 . 1 1 20 20 LEU HD22 H 1 0.212 . . . . . . A 325 LEU HD22 . 19913 1 213 . 1 1 20 20 LEU HD23 H 1 0.212 . . . . . . A 325 LEU HD22 . 19913 1 214 . 1 1 20 20 LEU C C 13 174.639 . . . . . . A 325 LEU C . 19913 1 215 . 1 1 20 20 LEU CA C 13 53.501 . . . . . . A 325 LEU CA . 19913 1 216 . 1 1 20 20 LEU CB C 13 42.882 . . . . . . A 325 LEU CB . 19913 1 217 . 1 1 20 20 LEU CD1 C 13 24.571 . . . . . . A 325 LEU CD1 . 19913 1 218 . 1 1 20 20 LEU CD2 C 13 23.110 . . . . . . A 325 LEU CD2 . 19913 1 219 . 1 1 20 20 LEU N N 15 127.850 . . . . . . A 325 LEU N . 19913 1 220 . 1 1 21 21 LEU H H 1 8.139 . . . . . . A 326 LEU H . 19913 1 221 . 1 1 21 21 LEU HB2 H 1 1.529 . . . . . . A 326 LEU HB2 . 19913 1 222 . 1 1 21 21 LEU HB3 H 1 1.224 . . . . . . A 326 LEU HB3 . 19913 1 223 . 1 1 21 21 LEU HD11 H 1 0.536 . . . . . . A 326 LEU HD12 . 19913 1 224 . 1 1 21 21 LEU HD12 H 1 0.536 . . . . . . A 326 LEU HD12 . 19913 1 225 . 1 1 21 21 LEU HD13 H 1 0.536 . . . . . . A 326 LEU HD12 . 19913 1 226 . 1 1 21 21 LEU C C 13 175.138 . . . . . . A 326 LEU C . 19913 1 227 . 1 1 21 21 LEU CA C 13 53.510 . . . . . . A 326 LEU CA . 19913 1 228 . 1 1 21 21 LEU CB C 13 43.439 . . . . . . A 326 LEU CB . 19913 1 229 . 1 1 21 21 LEU CD1 C 13 23.661 . . . . . . A 326 LEU CD1 . 19913 1 230 . 1 1 21 21 LEU N N 15 123.988 . . . . . . A 326 LEU N . 19913 1 231 . 1 1 22 22 CYS H H 1 8.955 . . . . . . A 327 CYS H . 19913 1 232 . 1 1 22 22 CYS HA H 1 4.669 . . . . . . A 327 CYS HA . 19913 1 233 . 1 1 22 22 CYS HB2 H 1 3.491 . . . . . . A 327 CYS HB2 . 19913 1 234 . 1 1 22 22 CYS HB3 H 1 2.862 . . . . . . A 327 CYS HB3 . 19913 1 235 . 1 1 22 22 CYS C C 13 176.283 . . . . . . A 327 CYS C . 19913 1 236 . 1 1 22 22 CYS CA C 13 60.241 . . . . . . A 327 CYS CA . 19913 1 237 . 1 1 22 22 CYS CB C 13 30.977 . . . . . . A 327 CYS CB . 19913 1 238 . 1 1 22 22 CYS N N 15 129.096 . . . . . . A 327 CYS N . 19913 1 239 . 1 1 23 23 ASP H H 1 9.120 . . . . . . A 328 ASP H . 19913 1 240 . 1 1 23 23 ASP HA H 1 4.548 . . . . . . A 328 ASP HA . 19913 1 241 . 1 1 23 23 ASP HB2 H 1 2.644 . . . . . . A 328 ASP HB2 . 19913 1 242 . 1 1 23 23 ASP HB3 H 1 2.577 . . . . . . A 328 ASP HB3 . 19913 1 243 . 1 1 23 23 ASP C C 13 176.845 . . . . . . A 328 ASP C . 19913 1 244 . 1 1 23 23 ASP CA C 13 56.716 . . . . . . A 328 ASP CA . 19913 1 245 . 1 1 23 23 ASP CB C 13 41.709 . . . . . . A 328 ASP CB . 19913 1 246 . 1 1 23 23 ASP N N 15 130.207 . . . . . . A 328 ASP N . 19913 1 247 . 1 1 24 24 GLY H H 1 9.925 . . . . . . A 329 GLY H . 19913 1 248 . 1 1 24 24 GLY HA2 H 1 4.025 . . . . . . A 329 GLY HA2 . 19913 1 249 . 1 1 24 24 GLY HA3 H 1 3.993 . . . . . . A 329 GLY HA3 . 19913 1 250 . 1 1 24 24 GLY C C 13 176.990 . . . . . . A 329 GLY C . 19913 1 251 . 1 1 24 24 GLY CA C 13 46.091 . . . . . . A 329 GLY CA . 19913 1 252 . 1 1 24 24 GLY N N 15 113.572 . . . . . . A 329 GLY N . 19913 1 253 . 1 1 25 25 CYS H H 1 7.754 . . . . . . A 330 CYS H . 19913 1 254 . 1 1 25 25 CYS HA H 1 4.750 . . . . . . A 330 CYS HA . 19913 1 255 . 1 1 25 25 CYS HB2 H 1 3.044 . . . . . . A 330 CYS HB2 . 19913 1 256 . 1 1 25 25 CYS HB3 H 1 2.394 . . . . . . A 330 CYS HB3 . 19913 1 257 . 1 1 25 25 CYS C C 13 174.598 . . . . . . A 330 CYS C . 19913 1 258 . 1 1 25 25 CYS CA C 13 58.591 . . . . . . A 330 CYS CA . 19913 1 259 . 1 1 25 25 CYS CB C 13 32.793 . . . . . . A 330 CYS CB . 19913 1 260 . 1 1 25 25 CYS N N 15 120.909 . . . . . . A 330 CYS N . 19913 1 261 . 1 1 26 26 ASP H H 1 8.124 . . . . . . A 331 ASP H . 19913 1 262 . 1 1 26 26 ASP HA H 1 4.630 . . . . . . A 331 ASP HA . 19913 1 263 . 1 1 26 26 ASP HB2 H 1 2.686 . . . . . . A 331 ASP HB2 . 19913 1 264 . 1 1 26 26 ASP HB3 H 1 3.017 . . . . . . A 331 ASP HB3 . 19913 1 265 . 1 1 26 26 ASP C C 13 175.019 . . . . . . A 331 ASP C . 19913 1 266 . 1 1 26 26 ASP CA C 13 56.240 . . . . . . A 331 ASP CA . 19913 1 267 . 1 1 26 26 ASP CB C 13 41.098 . . . . . . A 331 ASP CB . 19913 1 268 . 1 1 26 26 ASP N N 15 119.370 . . . . . . A 331 ASP N . 19913 1 269 . 1 1 27 27 ASP H H 1 8.655 . . . . . . A 332 ASP H . 19913 1 270 . 1 1 27 27 ASP HA H 1 4.784 . . . . . . A 332 ASP HA . 19913 1 271 . 1 1 27 27 ASP HB2 H 1 2.476 . . . . . . A 332 ASP HB2 . 19913 1 272 . 1 1 27 27 ASP HB3 H 1 3.050 . . . . . . A 332 ASP HB3 . 19913 1 273 . 1 1 27 27 ASP C C 13 174.899 . . . . . . A 332 ASP C . 19913 1 274 . 1 1 27 27 ASP CA C 13 55.577 . . . . . . A 332 ASP CA . 19913 1 275 . 1 1 27 27 ASP CB C 13 42.723 . . . . . . A 332 ASP CB . 19913 1 276 . 1 1 27 27 ASP N N 15 123.056 . . . . . . A 332 ASP N . 19913 1 277 . 1 1 28 28 SER H H 1 8.048 . . . . . . A 333 SER H . 19913 1 278 . 1 1 28 28 SER HA H 1 5.805 . . . . . . A 333 SER HA . 19913 1 279 . 1 1 28 28 SER HB2 H 1 3.364 . . . . . . A 333 SER HB2 . 19913 1 280 . 1 1 28 28 SER HB3 H 1 3.285 . . . . . . A 333 SER HB3 . 19913 1 281 . 1 1 28 28 SER C C 13 175.056 . . . . . . A 333 SER C . 19913 1 282 . 1 1 28 28 SER CA C 13 56.956 . . . . . . A 333 SER CA . 19913 1 283 . 1 1 28 28 SER CB C 13 65.816 . . . . . . A 333 SER CB . 19913 1 284 . 1 1 28 28 SER N N 15 114.384 . . . . . . A 333 SER N . 19913 1 285 . 1 1 29 29 TYR H H 1 8.524 . . . . . . A 334 TYR H . 19913 1 286 . 1 1 29 29 TYR HA H 1 5.348 . . . . . . A 334 TYR HA . 19913 1 287 . 1 1 29 29 TYR HB2 H 1 2.506 . . . . . . A 334 TYR HB2 . 19913 1 288 . 1 1 29 29 TYR HB3 H 1 2.483 . . . . . . A 334 TYR HB3 . 19913 1 289 . 1 1 29 29 TYR HD2 H 1 7.065 . . . . . . A 334 TYR HD2 . 19913 1 290 . 1 1 29 29 TYR HE2 H 1 6.779 . . . . . . A 334 TYR HE2 . 19913 1 291 . 1 1 29 29 TYR C C 13 172.769 . . . . . . A 334 TYR C . 19913 1 292 . 1 1 29 29 TYR CA C 13 56.301 . . . . . . A 334 TYR CA . 19913 1 293 . 1 1 29 29 TYR CB C 13 44.519 . . . . . . A 334 TYR CB . 19913 1 294 . 1 1 29 29 TYR N N 15 119.063 . . . . . . A 334 TYR N . 19913 1 295 . 1 1 30 30 HIS H H 1 9.094 . . . . . . A 335 HIS H . 19913 1 296 . 1 1 30 30 HIS HA H 1 5.073 . . . . . . A 335 HIS HA . 19913 1 297 . 1 1 30 30 HIS HB2 H 1 2.846 . . . . . . A 335 HIS HB2 . 19913 1 298 . 1 1 30 30 HIS HB3 H 1 1.220 . . . . . . A 335 HIS HB3 . 19913 1 299 . 1 1 30 30 HIS HD2 H 1 6.543 . . . . . . A 335 HIS HD2 . 19913 1 300 . 1 1 30 30 HIS HE1 H 1 7.502 . . . . . . A 335 HIS HE1 . 19913 1 301 . 1 1 30 30 HIS C C 13 176.248 . . . . . . A 335 HIS C . 19913 1 302 . 1 1 30 30 HIS CA C 13 57.819 . . . . . . A 335 HIS CA . 19913 1 303 . 1 1 30 30 HIS CB C 13 30.751 . . . . . . A 335 HIS CB . 19913 1 304 . 1 1 30 30 HIS N N 15 122.478 . . . . . . A 335 HIS N . 19913 1 305 . 1 1 31 31 THR H H 1 8.774 . . . . . . A 336 THR H . 19913 1 306 . 1 1 31 31 THR HA H 1 3.540 . . . . . . A 336 THR HA . 19913 1 307 . 1 1 31 31 THR HB H 1 4.335 . . . . . . A 336 THR HB . 19913 1 308 . 1 1 31 31 THR C C 13 178.618 . . . . . . A 336 THR C . 19913 1 309 . 1 1 31 31 THR CA C 13 64.925 . . . . . . A 336 THR CA . 19913 1 310 . 1 1 31 31 THR CB C 13 66.144 . . . . . . A 336 THR CB . 19913 1 311 . 1 1 31 31 THR N N 15 113.249 . . . . . . A 336 THR N . 19913 1 312 . 1 1 32 32 PHE H H 1 6.404 . . . . . . A 337 PHE H . 19913 1 313 . 1 1 32 32 PHE HA H 1 4.614 . . . . . . A 337 PHE HA . 19913 1 314 . 1 1 32 32 PHE HB2 H 1 2.852 . . . . . . A 337 PHE HB2 . 19913 1 315 . 1 1 32 32 PHE HB3 H 1 3.448 . . . . . . A 337 PHE HB3 . 19913 1 316 . 1 1 32 32 PHE HD2 H 1 7.142 . . . . . . A 337 PHE HD2 . 19913 1 317 . 1 1 32 32 PHE HE2 H 1 6.984 . . . . . . A 337 PHE HE2 . 19913 1 318 . 1 1 32 32 PHE HZ H 1 6.282 . . . . . . A 337 PHE HZ . 19913 1 319 . 1 1 32 32 PHE C C 13 176.411 . . . . . . A 337 PHE C . 19913 1 320 . 1 1 32 32 PHE CA C 13 56.120 . . . . . . A 337 PHE CA . 19913 1 321 . 1 1 32 32 PHE CB C 13 37.613 . . . . . . A 337 PHE CB . 19913 1 322 . 1 1 32 32 PHE N N 15 111.508 . . . . . . A 337 PHE N . 19913 1 323 . 1 1 33 33 CYS H H 1 7.242 . . . . . . A 338 CYS H . 19913 1 324 . 1 1 33 33 CYS HA H 1 4.333 . . . . . . A 338 CYS HA . 19913 1 325 . 1 1 33 33 CYS HB2 H 1 2.646 . . . . . . A 338 CYS HB2 . 19913 1 326 . 1 1 33 33 CYS HB3 H 1 3.194 . . . . . . A 338 CYS HB3 . 19913 1 327 . 1 1 33 33 CYS C C 13 176.704 . . . . . . A 338 CYS C . 19913 1 328 . 1 1 33 33 CYS CA C 13 61.911 . . . . . . A 338 CYS CA . 19913 1 329 . 1 1 33 33 CYS CB C 13 31.093 . . . . . . A 338 CYS CB . 19913 1 330 . 1 1 33 33 CYS N N 15 123.999 . . . . . . A 338 CYS N . 19913 1 331 . 1 1 34 34 LEU H H 1 6.373 . . . . . . A 339 LEU H . 19913 1 332 . 1 1 34 34 LEU HA H 1 3.905 . . . . . . A 339 LEU HA . 19913 1 333 . 1 1 34 34 LEU HB2 H 1 1.360 . . . . . . A 339 LEU HB2 . 19913 1 334 . 1 1 34 34 LEU HB3 H 1 1.635 . . . . . . A 339 LEU HB3 . 19913 1 335 . 1 1 34 34 LEU HD11 H 1 0.649 . . . . . . A 339 LEU HD12 . 19913 1 336 . 1 1 34 34 LEU HD12 H 1 0.649 . . . . . . A 339 LEU HD12 . 19913 1 337 . 1 1 34 34 LEU HD13 H 1 0.649 . . . . . . A 339 LEU HD12 . 19913 1 338 . 1 1 34 34 LEU C C 13 174.380 . . . . . . A 339 LEU C . 19913 1 339 . 1 1 34 34 LEU CA C 13 55.500 . . . . . . A 339 LEU CA . 19913 1 340 . 1 1 34 34 LEU CB C 13 44.091 . . . . . . A 339 LEU CB . 19913 1 341 . 1 1 34 34 LEU CD1 C 13 23.410 . . . . . . A 339 LEU CD1 . 19913 1 342 . 1 1 34 34 LEU N N 15 119.805 . . . . . . A 339 LEU N . 19913 1 343 . 1 1 35 35 ILE H H 1 7.902 . . . . . . A 340 ILE H . 19913 1 344 . 1 1 35 35 ILE HA H 1 4.187 . . . . . . A 340 ILE HA . 19913 1 345 . 1 1 35 35 ILE HB H 1 1.671 . . . . . . A 340 ILE HB . 19913 1 346 . 1 1 35 35 ILE HG12 H 1 0.905 . . . . . . A 340 ILE HG12 . 19913 1 347 . 1 1 35 35 ILE HD11 H 1 0.821 . . . . . . A 340 ILE HD12 . 19913 1 348 . 1 1 35 35 ILE HD12 H 1 0.821 . . . . . . A 340 ILE HD12 . 19913 1 349 . 1 1 35 35 ILE HD13 H 1 0.760 . . . . . . A 340 ILE HD13 . 19913 1 350 . 1 1 35 35 ILE C C 13 175.079 . . . . . . A 340 ILE C . 19913 1 351 . 1 1 35 35 ILE CA C 13 57.800 . . . . . . A 340 ILE CA . 19913 1 352 . 1 1 35 35 ILE CB C 13 40.240 . . . . . . A 340 ILE CB . 19913 1 353 . 1 1 35 35 ILE CG1 C 13 27.043 . . . . . . A 340 ILE CG1 . 19913 1 354 . 1 1 35 35 ILE CG2 C 13 17.208 . . . . . . A 340 ILE CG2 . 19913 1 355 . 1 1 35 35 ILE CD1 C 13 12.777 . . . . . . A 340 ILE CD1 . 19913 1 356 . 1 1 35 35 ILE N N 15 118.573 . . . . . . A 340 ILE N . 19913 1 357 . 1 1 37 37 PRO HB2 H 1 2.175 . . . . . . A 342 PRO HB2 . 19913 1 358 . 1 1 37 37 PRO CA C 13 62.879 . . . . . . A 342 PRO CA . 19913 1 359 . 1 1 37 37 PRO CB C 13 32.179 . . . . . . A 342 PRO CB . 19913 1 360 . 1 1 38 38 LEU H H 1 7.545 . . . . . . A 343 LEU H . 19913 1 361 . 1 1 38 38 LEU HA H 1 4.409 . . . . . . A 343 LEU HA . 19913 1 362 . 1 1 38 38 LEU HB2 H 1 1.510 . . . . . . A 343 LEU HB2 . 19913 1 363 . 1 1 38 38 LEU HB3 H 1 1.247 . . . . . . A 343 LEU HB3 . 19913 1 364 . 1 1 38 38 LEU HD11 H 1 0.781 . . . . . . A 343 LEU HD1 . 19913 1 365 . 1 1 38 38 LEU HD12 H 1 0.781 . . . . . . A 343 LEU HD1 . 19913 1 366 . 1 1 38 38 LEU HD13 H 1 0.781 . . . . . . A 343 LEU HD1 . 19913 1 367 . 1 1 38 38 LEU HD21 H 1 0.710 . . . . . . A 343 LEU HD2 . 19913 1 368 . 1 1 38 38 LEU HD22 H 1 0.710 . . . . . . A 343 LEU HD2 . 19913 1 369 . 1 1 38 38 LEU HD23 H 1 0.710 . . . . . . A 343 LEU HD2 . 19913 1 370 . 1 1 38 38 LEU C C 13 177.584 . . . . . . A 343 LEU C . 19913 1 371 . 1 1 38 38 LEU CA C 13 53.509 . . . . . . A 343 LEU CA . 19913 1 372 . 1 1 38 38 LEU CB C 13 43.383 . . . . . . A 343 LEU CB . 19913 1 373 . 1 1 38 38 LEU CD1 C 13 21.139 . . . . . . A 343 LEU CD1 . 19913 1 374 . 1 1 38 38 LEU CD2 C 13 25.654 . . . . . . A 343 LEU CD2 . 19913 1 375 . 1 1 38 38 LEU N N 15 120.513 . . . . . . A 343 LEU N . 19913 1 376 . 1 1 39 39 HIS HA H 1 4.348 . . . . . . A 344 HIS HA . 19913 1 377 . 1 1 39 39 HIS HD2 H 1 7.062 . . . . . . A 344 HIS HD2 . 19913 1 378 . 1 1 39 39 HIS HE1 H 1 7.920 . . . . . . A 344 HIS HE1 . 19913 1 379 . 1 1 39 39 HIS CA C 13 57.627 . . . . . . A 344 HIS CA . 19913 1 380 . 1 1 39 39 HIS CB C 13 30.363 . . . . . . A 344 HIS CB . 19913 1 381 . 1 1 40 40 ASP H H 1 7.611 . . . . . . A 345 ASP H . 19913 1 382 . 1 1 40 40 ASP HA H 1 4.740 . . . . . . A 345 ASP HA . 19913 1 383 . 1 1 40 40 ASP HB2 H 1 2.462 . . . . . . A 345 ASP HB2 . 19913 1 384 . 1 1 40 40 ASP HB3 H 1 2.350 . . . . . . A 345 ASP HB3 . 19913 1 385 . 1 1 40 40 ASP C C 13 174.506 . . . . . . A 345 ASP C . 19913 1 386 . 1 1 40 40 ASP CA C 13 52.254 . . . . . . A 345 ASP CA . 19913 1 387 . 1 1 40 40 ASP CB C 13 43.198 . . . . . . A 345 ASP CB . 19913 1 388 . 1 1 40 40 ASP N N 15 117.422 . . . . . . A 345 ASP N . 19913 1 389 . 1 1 41 41 VAL H H 1 8.531 . . . . . . A 346 VAL H . 19913 1 390 . 1 1 41 41 VAL HA H 1 3.820 . . . . . . A 346 VAL HA . 19913 1 391 . 1 1 41 41 VAL HB H 1 1.890 . . . . . . A 346 VAL HB . 19913 1 392 . 1 1 41 41 VAL HG11 H 1 0.880 . . . . . . A 346 VAL HG1 . 19913 1 393 . 1 1 41 41 VAL HG12 H 1 0.880 . . . . . . A 346 VAL HG1 . 19913 1 394 . 1 1 41 41 VAL HG13 H 1 0.880 . . . . . . A 346 VAL HG1 . 19913 1 395 . 1 1 41 41 VAL HG21 H 1 0.816 . . . . . . A 346 VAL HG2 . 19913 1 396 . 1 1 41 41 VAL HG22 H 1 0.816 . . . . . . A 346 VAL HG2 . 19913 1 397 . 1 1 41 41 VAL HG23 H 1 0.816 . . . . . . A 346 VAL HG2 . 19913 1 398 . 1 1 41 41 VAL C C 13 174.750 . . . . . . A 346 VAL C . 19913 1 399 . 1 1 41 41 VAL CA C 13 60.735 . . . . . . A 346 VAL CA . 19913 1 400 . 1 1 41 41 VAL CB C 13 32.284 . . . . . . A 346 VAL CB . 19913 1 401 . 1 1 41 41 VAL CG1 C 13 21.645 . . . . . . A 346 VAL CG1 . 19913 1 402 . 1 1 41 41 VAL CG2 C 13 20.666 . . . . . . A 346 VAL CG2 . 19913 1 403 . 1 1 41 41 VAL N N 15 123.018 . . . . . . A 346 VAL N . 19913 1 404 . 1 1 42 42 PRO HA H 1 4.345 . . . . . . A 347 PRO HA . 19913 1 405 . 1 1 42 42 PRO HB2 H 1 2.272 . . . . . . A 347 PRO HB2 . 19913 1 406 . 1 1 42 42 PRO HD2 H 1 3.682 . . . . . . A 347 PRO HD2 . 19913 1 407 . 1 1 42 42 PRO HD3 H 1 3.372 . . . . . . A 347 PRO HD3 . 19913 1 408 . 1 1 42 42 PRO CA C 13 62.910 . . . . . . A 347 PRO CA . 19913 1 409 . 1 1 42 42 PRO CB C 13 32.179 . . . . . . A 347 PRO CB . 19913 1 410 . 1 1 42 42 PRO CD C 13 51.191 . . . . . . A 347 PRO CD . 19913 1 411 . 1 1 43 43 LYS H H 1 8.483 . . . . . . A 348 LYS H . 19913 1 412 . 1 1 43 43 LYS HA H 1 4.265 . . . . . . A 348 LYS HA . 19913 1 413 . 1 1 43 43 LYS HB2 H 1 1.785 . . . . . . A 348 LYS HB2 . 19913 1 414 . 1 1 43 43 LYS HB3 H 1 1.700 . . . . . . A 348 LYS HB3 . 19913 1 415 . 1 1 43 43 LYS HG2 H 1 1.381 . . . . . . A 348 LYS HG2 . 19913 1 416 . 1 1 43 43 LYS HG3 H 1 1.444 . . . . . . A 348 LYS HG3 . 19913 1 417 . 1 1 43 43 LYS C C 13 176.355 . . . . . . A 348 LYS C . 19913 1 418 . 1 1 43 43 LYS CA C 13 55.928 . . . . . . A 348 LYS CA . 19913 1 419 . 1 1 43 43 LYS CB C 13 32.714 . . . . . . A 348 LYS CB . 19913 1 420 . 1 1 43 43 LYS CG C 13 24.917 . . . . . . A 348 LYS CG . 19913 1 421 . 1 1 43 43 LYS N N 15 122.040 . . . . . . A 348 LYS N . 19913 1 422 . 1 1 44 44 GLY H H 1 8.103 . . . . . . A 349 GLY H . 19913 1 423 . 1 1 44 44 GLY HA2 H 1 3.949 . . . . . . A 349 GLY HA2 . 19913 1 424 . 1 1 44 44 GLY HA3 H 1 3.918 . . . . . . A 349 GLY HA3 . 19913 1 425 . 1 1 44 44 GLY C C 13 177.224 . . . . . . A 349 GLY C . 19913 1 426 . 1 1 44 44 GLY CA C 13 44.732 . . . . . . A 349 GLY CA . 19913 1 427 . 1 1 44 44 GLY N N 15 110.439 . . . . . . A 349 GLY N . 19913 1 428 . 1 1 45 45 ASP H H 1 8.253 . . . . . . A 350 ASP H . 19913 1 429 . 1 1 45 45 ASP HA H 1 4.542 . . . . . . A 350 ASP HA . 19913 1 430 . 1 1 45 45 ASP HB2 H 1 2.556 . . . . . . A 350 ASP HB2 . 19913 1 431 . 1 1 45 45 ASP HB3 H 1 2.459 . . . . . . A 350 ASP HB3 . 19913 1 432 . 1 1 45 45 ASP C C 13 172.943 . . . . . . A 350 ASP C . 19913 1 433 . 1 1 45 45 ASP CA C 13 54.611 . . . . . . A 350 ASP CA . 19913 1 434 . 1 1 45 45 ASP CB C 13 41.333 . . . . . . A 350 ASP CB . 19913 1 435 . 1 1 45 45 ASP N N 15 121.630 . . . . . . A 350 ASP N . 19913 1 436 . 1 1 46 46 TRP H H 1 9.050 . . . . . . A 351 TRP H . 19913 1 437 . 1 1 46 46 TRP HA H 1 4.336 . . . . . . A 351 TRP HA . 19913 1 438 . 1 1 46 46 TRP HB2 H 1 3.075 . . . . . . A 351 TRP HB2 . 19913 1 439 . 1 1 46 46 TRP HB3 H 1 3.004 . . . . . . A 351 TRP HB3 . 19913 1 440 . 1 1 46 46 TRP HD1 H 1 7.244 . . . . . . A 351 TRP HD1 . 19913 1 441 . 1 1 46 46 TRP HE3 H 1 7.189 . . . . . . A 351 TRP HE3 . 19913 1 442 . 1 1 46 46 TRP HZ2 H 1 7.102 . . . . . . A 351 TRP HZ2 . 19913 1 443 . 1 1 46 46 TRP HZ3 H 1 6.769 . . . . . . A 351 TRP HZ3 . 19913 1 444 . 1 1 46 46 TRP HH2 H 1 6.525 . . . . . . A 351 TRP HH2 . 19913 1 445 . 1 1 46 46 TRP C C 13 175.474 . . . . . . A 351 TRP C . 19913 1 446 . 1 1 46 46 TRP CA C 13 60.012 . . . . . . A 351 TRP CA . 19913 1 447 . 1 1 46 46 TRP CB C 13 30.379 . . . . . . A 351 TRP CB . 19913 1 448 . 1 1 46 46 TRP N N 15 126.420 . . . . . . A 351 TRP N . 19913 1 449 . 1 1 47 47 ARG H H 1 6.581 . . . . . . A 352 ARG H . 19913 1 450 . 1 1 47 47 ARG HA H 1 4.915 . . . . . . A 352 ARG HA . 19913 1 451 . 1 1 47 47 ARG HB2 H 1 1.210 . . . . . . A 352 ARG HB2 . 19913 1 452 . 1 1 47 47 ARG HB3 H 1 1.127 . . . . . . A 352 ARG HB3 . 19913 1 453 . 1 1 47 47 ARG HG2 H 1 1.454 . . . . . . A 352 ARG HG2 . 19913 1 454 . 1 1 47 47 ARG HG3 H 1 1.313 . . . . . . A 352 ARG HG3 . 19913 1 455 . 1 1 47 47 ARG HD2 H 1 2.952 . . . . . . A 352 ARG HD2 . 19913 1 456 . 1 1 47 47 ARG HD3 H 1 2.845 . . . . . . A 352 ARG HD3 . 19913 1 457 . 1 1 47 47 ARG C C 13 173.419 . . . . . . A 352 ARG C . 19913 1 458 . 1 1 47 47 ARG CA C 13 52.612 . . . . . . A 352 ARG CA . 19913 1 459 . 1 1 47 47 ARG CB C 13 33.712 . . . . . . A 352 ARG CB . 19913 1 460 . 1 1 47 47 ARG CG C 13 27.656 . . . . . . A 352 ARG CG . 19913 1 461 . 1 1 47 47 ARG CD C 13 43.241 . . . . . . A 352 ARG CD . 19913 1 462 . 1 1 47 47 ARG N N 15 125.212 . . . . . . A 352 ARG N . 19913 1 463 . 1 1 48 48 CYS H H 1 8.982 . . . . . . A 353 CYS H . 19913 1 464 . 1 1 48 48 CYS HA H 1 3.573 . . . . . . A 353 CYS HA . 19913 1 465 . 1 1 48 48 CYS HB2 H 1 3.007 . . . . . . A 353 CYS HB2 . 19913 1 466 . 1 1 48 48 CYS HB3 H 1 2.362 . . . . . . A 353 CYS HB3 . 19913 1 467 . 1 1 48 48 CYS C C 13 173.614 . . . . . . A 353 CYS C . 19913 1 468 . 1 1 48 48 CYS CA C 13 56.747 . . . . . . A 353 CYS CA . 19913 1 469 . 1 1 48 48 CYS CB C 13 29.965 . . . . . . A 353 CYS CB . 19913 1 470 . 1 1 48 48 CYS N N 15 126.478 . . . . . . A 353 CYS N . 19913 1 471 . 1 1 49 49 PRO HB2 H 1 1.692 . . . . . . A 354 PRO HB2 . 19913 1 472 . 1 1 49 49 PRO HB3 H 1 1.762 . . . . . . A 354 PRO HB3 . 19913 1 473 . 1 1 49 49 PRO HD2 H 1 3.099 . . . . . . A 354 PRO HD2 . 19913 1 474 . 1 1 49 49 PRO CA C 13 65.437 . . . . . . A 354 PRO CA . 19913 1 475 . 1 1 49 49 PRO CB C 13 32.226 . . . . . . A 354 PRO CB . 19913 1 476 . 1 1 49 49 PRO CD C 13 49.685 . . . . . . A 354 PRO CD . 19913 1 477 . 1 1 50 50 LYS H H 1 7.800 . . . . . . A 355 LYS H . 19913 1 478 . 1 1 50 50 LYS HA H 1 4.006 . . . . . . A 355 LYS HA . 19913 1 479 . 1 1 50 50 LYS HB2 H 1 1.856 . . . . . . A 355 LYS HB2 . 19913 1 480 . 1 1 50 50 LYS HG2 H 1 1.252 . . . . . . A 355 LYS HG2 . 19913 1 481 . 1 1 50 50 LYS HG3 H 1 1.463 . . . . . . A 355 LYS HG3 . 19913 1 482 . 1 1 50 50 LYS HD2 H 1 1.723 . . . . . . A 355 LYS HD2 . 19913 1 483 . 1 1 50 50 LYS HD3 H 1 1.638 . . . . . . A 355 LYS HD3 . 19913 1 484 . 1 1 50 50 LYS C C 13 179.592 . . . . . . A 355 LYS C . 19913 1 485 . 1 1 50 50 LYS CA C 13 59.630 . . . . . . A 355 LYS CA . 19913 1 486 . 1 1 50 50 LYS CB C 13 32.384 . . . . . . A 355 LYS CB . 19913 1 487 . 1 1 50 50 LYS CG C 13 25.086 . . . . . . A 355 LYS CG . 19913 1 488 . 1 1 50 50 LYS CD C 13 25.520 . . . . . . A 355 LYS CD . 19913 1 489 . 1 1 50 50 LYS N N 15 119.965 . . . . . . A 355 LYS N . 19913 1 490 . 1 1 51 51 CYS H H 1 8.513 . . . . . . A 356 CYS H . 19913 1 491 . 1 1 51 51 CYS HA H 1 3.771 . . . . . . A 356 CYS HA . 19913 1 492 . 1 1 51 51 CYS HB2 H 1 2.683 . . . . . . A 356 CYS HB2 . 19913 1 493 . 1 1 51 51 CYS C C 13 179.399 . . . . . . A 356 CYS C . 19913 1 494 . 1 1 51 51 CYS CA C 13 65.376 . . . . . . A 356 CYS CA . 19913 1 495 . 1 1 51 51 CYS CB C 13 28.206 . . . . . . A 356 CYS CB . 19913 1 496 . 1 1 51 51 CYS N N 15 125.452 . . . . . . A 356 CYS N . 19913 1 497 . 1 1 52 52 LEU H H 1 8.181 . . . . . . A 357 LEU H . 19913 1 498 . 1 1 52 52 LEU HA H 1 3.869 . . . . . . A 357 LEU HA . 19913 1 499 . 1 1 52 52 LEU HB2 H 1 1.409 . . . . . . A 357 LEU HB2 . 19913 1 500 . 1 1 52 52 LEU HB3 H 1 1.284 . . . . . . A 357 LEU HB3 . 19913 1 501 . 1 1 52 52 LEU HG H 1 1.315 . . . . . . A 357 LEU HG . 19913 1 502 . 1 1 52 52 LEU HD11 H 1 0.604 . . . . . . A 357 LEU HD1 . 19913 1 503 . 1 1 52 52 LEU HD12 H 1 0.604 . . . . . . A 357 LEU HD1 . 19913 1 504 . 1 1 52 52 LEU HD13 H 1 0.604 . . . . . . A 357 LEU HD1 . 19913 1 505 . 1 1 52 52 LEU C C 13 179.011 . . . . . . A 357 LEU C . 19913 1 506 . 1 1 52 52 LEU CA C 13 56.974 . . . . . . A 357 LEU CA . 19913 1 507 . 1 1 52 52 LEU CB C 13 41.807 . . . . . . A 357 LEU CB . 19913 1 508 . 1 1 52 52 LEU CG C 13 26.081 . . . . . . A 357 LEU CG . 19913 1 509 . 1 1 52 52 LEU CD1 C 13 23.039 . . . . . . A 357 LEU CD1 . 19913 1 510 . 1 1 52 52 LEU N N 15 120.480 . . . . . . A 357 LEU N . 19913 1 511 . 1 1 53 53 ALA H H 1 7.422 . . . . . . A 358 ALA H . 19913 1 512 . 1 1 53 53 ALA HA H 1 4.098 . . . . . . A 358 ALA HA . 19913 1 513 . 1 1 53 53 ALA HB1 H 1 1.359 . . . . . . A 358 ALA MB . 19913 1 514 . 1 1 53 53 ALA HB2 H 1 1.359 . . . . . . A 358 ALA MB . 19913 1 515 . 1 1 53 53 ALA HB3 H 1 1.359 . . . . . . A 358 ALA MB . 19913 1 516 . 1 1 53 53 ALA C C 13 178.803 . . . . . . A 358 ALA C . 19913 1 517 . 1 1 53 53 ALA CA C 13 53.684 . . . . . . A 358 ALA CA . 19913 1 518 . 1 1 53 53 ALA CB C 13 18.262 . . . . . . A 358 ALA CB . 19913 1 519 . 1 1 53 53 ALA N N 15 121.422 . . . . . . A 358 ALA N . 19913 1 520 . 1 1 54 54 GLN H H 1 7.545 . . . . . . A 359 GLN H . 19913 1 521 . 1 1 54 54 GLN HA H 1 4.110 . . . . . . A 359 GLN HA . 19913 1 522 . 1 1 54 54 GLN HB2 H 1 2.066 . . . . . . A 359 GLN HB2 . 19913 1 523 . 1 1 54 54 GLN HB3 H 1 1.997 . . . . . . A 359 GLN HB3 . 19913 1 524 . 1 1 54 54 GLN HG2 H 1 2.361 . . . . . . A 359 GLN HG2 . 19913 1 525 . 1 1 54 54 GLN HG3 H 1 2.311 . . . . . . A 359 GLN HG3 . 19913 1 526 . 1 1 54 54 GLN C C 13 178.826 . . . . . . A 359 GLN C . 19913 1 527 . 1 1 54 54 GLN CA C 13 56.722 . . . . . . A 359 GLN CA . 19913 1 528 . 1 1 54 54 GLN CB C 13 29.099 . . . . . . A 359 GLN CB . 19913 1 529 . 1 1 54 54 GLN CG C 13 33.831 . . . . . . A 359 GLN CG . 19913 1 530 . 1 1 54 54 GLN N N 15 117.550 . . . . . . A 359 GLN N . 19913 1 531 . 1 1 55 55 GLU H H 1 7.861 . . . . . . A 360 GLU H . 19913 1 532 . 1 1 55 55 GLU HA H 1 4.136 . . . . . . A 360 GLU HA . 19913 1 533 . 1 1 55 55 GLU HB2 H 1 1.961 . . . . . . A 360 GLU HB2 . 19913 1 534 . 1 1 55 55 GLU HB3 H 1 1.910 . . . . . . A 360 GLU HB3 . 19913 1 535 . 1 1 55 55 GLU HG2 H 1 2.233 . . . . . . A 360 GLU HG2 . 19913 1 536 . 1 1 55 55 GLU HG3 H 1 2.171 . . . . . . A 360 GLU HG3 . 19913 1 537 . 1 1 55 55 GLU C C 13 176.826 . . . . . . A 360 GLU C . 19913 1 538 . 1 1 55 55 GLU CA C 13 57.168 . . . . . . A 360 GLU CA . 19913 1 539 . 1 1 55 55 GLU CB C 13 30.032 . . . . . . A 360 GLU CB . 19913 1 540 . 1 1 55 55 GLU CG C 13 36.148 . . . . . . A 360 GLU CG . 19913 1 541 . 1 1 55 55 GLU N N 15 120.736 . . . . . . A 360 GLU N . 19913 1 stop_ save_