################################### # 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 27915 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.01 _Assigned_chem_shift_list.Chem_shift_13C_err 0.05 _Assigned_chem_shift_list.Chem_shift_15N_err 0.05 _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 27915 1 4 '3D HNCACB' . . . 27915 1 5 '3D HN(COCA)CB' . . . 27915 1 7 '3D HN(CO)CA' . . . 27915 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 1 $NMRView . . 27915 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 1 1 VAL H H 1 8.1166 0.01 . 1 . . . . . 233 V HN . 27915 1 2 . 1 . 1 1 1 VAL CA C 13 62.1780 0.05 . 1 . . . . . 233 V CA . 27915 1 3 . 1 . 1 1 1 VAL CB C 13 32.1067 0.05 . 1 . . . . . 233 V CB . 27915 1 4 . 1 . 1 1 1 VAL N N 15 122.0297 0.05 . 1 . . . . . 233 V N . 27915 1 5 . 1 . 1 2 2 GLY H H 1 8.4465 0.01 . 1 . . . . . 234 G HN . 27915 1 6 . 1 . 1 2 2 GLY CA C 13 44.8912 0.05 . 1 . . . . . 234 G CA . 27915 1 7 . 1 . 1 2 2 GLY N N 15 112.3301 0.05 . 1 . . . . . 234 G N . 27915 1 8 . 1 . 1 3 3 THR H H 1 8.1765 0.01 . 1 . . . . . 235 T HN . 27915 1 9 . 1 . 1 3 3 THR CA C 13 61.8314 0.05 . 1 . . . . . 235 T CA . 27915 1 10 . 1 . 1 3 3 THR CB C 13 69.6364 0.05 . 1 . . . . . 235 T CB . 27915 1 11 . 1 . 1 3 3 THR N N 15 113.0498 0.05 . 1 . . . . . 235 T N . 27915 1 12 . 1 . 1 4 4 GLY H H 1 8.5199 0.01 . 1 . . . . . 236 G HN . 27915 1 13 . 1 . 1 4 4 GLY CA C 13 45.0593 0.05 . 1 . . . . . 236 G CA . 27915 1 14 . 1 . 1 4 4 GLY N N 15 111.3712 0.05 . 1 . . . . . 236 G N . 27915 1 15 . 1 . 1 5 5 SER H H 1 8.2198 0.01 . 1 . . . . . 237 S HN . 27915 1 16 . 1 . 1 5 5 SER CA C 13 58.0669 0.05 . 1 . . . . . 237 S CA . 27915 1 17 . 1 . 1 5 5 SER CB C 13 63.6486 0.05 . 1 . . . . . 237 S CB . 27915 1 18 . 1 . 1 5 5 SER N N 15 115.5109 0.05 . 1 . . . . . 237 S N . 27915 1 19 . 1 . 1 6 6 ASN H H 1 8.5603 0.01 . 1 . . . . . 238 N HN . 27915 1 20 . 1 . 1 6 6 ASN CA C 13 53.2424 0.05 . 1 . . . . . 238 N CA . 27915 1 21 . 1 . 1 6 6 ASN CB C 13 38.6849 0.05 . 1 . . . . . 238 N CB . 27915 1 22 . 1 . 1 6 6 ASN N N 15 120.5869 0.05 . 1 . . . . . 238 N N . 27915 1 23 . 1 . 1 7 7 ASP H H 1 8.3042 0.01 . 1 . . . . . 239 D HN . 27915 1 24 . 1 . 1 7 7 ASP CA C 13 54.6000 0.05 . 1 . . . . . 239 D CA . 27915 1 25 . 1 . 1 7 7 ASP CB C 13 40.7933 0.05 . 1 . . . . . 239 D CB . 27915 1 26 . 1 . 1 7 7 ASP N N 15 120.5313 0.05 . 1 . . . . . 239 D N . 27915 1 27 . 1 . 1 8 8 ASP H H 1 8.1898 0.01 . 1 . . . . . 240 D HN . 27915 1 28 . 1 . 1 8 8 ASP CA C 13 55.3844 0.05 . 1 . . . . . 240 D CA . 27915 1 29 . 1 . 1 8 8 ASP N N 15 120.3308 0.05 . 1 . . . . . 240 D N . 27915 1 30 . 1 . 1 9 9 ASP H H 1 8.2209 0.01 . 1 . . . . . 241 D HN . 27915 1 31 . 1 . 1 9 9 ASP CA C 13 54.5698 0.05 . 1 . . . . . 241 D CA . 27915 1 32 . 1 . 1 9 9 ASP CB C 13 40.7090 0.05 . 1 . . . . . 241 D CB . 27915 1 33 . 1 . 1 9 9 ASP N N 15 119.8878 0.05 . 1 . . . . . 241 D N . 27915 1 34 . 1 . 1 10 10 ASP H H 1 8.2520 0.01 . 1 . . . . . 242 D HN . 27915 1 35 . 1 . 1 10 10 ASP CA C 13 54.5397 0.05 . 1 . . . . . 242 D CA . 27915 1 36 . 1 . 1 10 10 ASP CB C 13 40.6247 0.05 . 1 . . . . . 242 D CB . 27915 1 37 . 1 . 1 10 10 ASP N N 15 120.3454 0.05 . 1 . . . . . 242 D N . 27915 1 38 . 1 . 1 11 11 LYS H H 1 8.0152 0.01 . 1 . . . . . 243 K HN . 27915 1 39 . 1 . 1 11 11 LYS CA C 13 55.7163 0.05 . 1 . . . . . 243 K CA . 27915 1 40 . 1 . 1 11 11 LYS CB C 13 32.1910 0.05 . 1 . . . . . 243 K CB . 27915 1 41 . 1 . 1 11 11 LYS N N 15 120.4306 0.05 . 1 . . . . . 243 K N . 27915 1 42 . 1 . 1 12 12 ALA H H 1 8.1522 0.01 . 1 . . . . . 244 A HN . 27915 1 43 . 1 . 1 12 12 ALA CA C 13 50.5268 0.05 . 1 . . . . . 244 A CA . 27915 1 44 . 1 . 1 12 12 ALA CB C 13 17.6851 0.05 . 1 . . . . . 244 A CB . 27915 1 45 . 1 . 1 12 12 ALA N N 15 125.6598 0.05 . 1 . . . . . 244 A N . 27915 1 46 . 1 . 1 13 13 PRO CA C 13 63.2887 0.05 . 1 . . . . . 245 P CA . 27915 1 47 . 1 . 1 13 13 PRO CB C 13 31.3476 0.05 . 1 . . . . . 245 P CB . 27915 1 48 . 1 . 1 14 14 ASN H H 1 8.3763 0.01 . 1 . . . . . 246 N HN . 27915 1 49 . 1 . 1 14 14 ASN CA C 13 53.0915 0.05 . 1 . . . . . 246 N CA . 27915 1 50 . 1 . 1 14 14 ASN CB C 13 38.4319 0.05 . 1 . . . . . 246 N CB . 27915 1 51 . 1 . 1 14 14 ASN N N 15 117.6714 0.05 . 1 . . . . . 246 N N . 27915 1 52 . 1 . 1 15 15 ALA H H 1 8.1772 0.01 . 1 . . . . . 247 A HN . 27915 1 53 . 1 . 1 15 15 ALA CA C 13 52.2808 0.05 . 1 . . . . . 247 A CA . 27915 1 54 . 1 . 1 15 15 ALA CB C 13 18.6792 0.05 . 1 . . . . . 247 A CB . 27915 1 55 . 1 . 1 15 15 ALA N N 15 124.2651 0.05 . 1 . . . . . 247 A N . 27915 1 56 . 1 . 1 16 16 SER H H 1 8.2800 0.01 . 1 . . . . . 248 S HN . 27915 1 57 . 1 . 1 16 16 SER CA C 13 58.2014 0.05 . 1 . . . . . 248 S CA . 27915 1 58 . 1 . 1 16 16 SER CB C 13 63.5642 0.05 . 1 . . . . . 248 S CB . 27915 1 59 . 1 . 1 16 16 SER N N 15 115.0106 0.05 . 1 . . . . . 248 S N . 27915 1 60 . 1 . 1 17 17 ASN H H 1 8.4033 0.01 . 1 . . . . . 249 N HN . 27915 1 61 . 1 . 1 17 17 ASN CA C 13 53.1820 0.05 . 1 . . . . . 249 N CA . 27915 1 62 . 1 . 1 17 17 ASN CB C 13 38.7693 0.05 . 1 . . . . . 249 N CB . 27915 1 63 . 1 . 1 17 17 ASN N N 15 120.2822 0.05 . 1 . . . . . 249 N N . 27915 1 64 . 1 . 1 18 18 LEU H H 1 8.3867 0.01 . 1 . . . . . 250 L HN . 27915 1 65 . 1 . 1 18 18 LEU CA C 13 53.8229 0.05 . 1 . . . . . 250 L CA . 27915 1 66 . 1 . 1 18 18 LEU CB C 13 43.1548 0.05 . 1 . . . . . 250 L CB . 27915 1 67 . 1 . 1 18 18 LEU N N 15 122.0932 0.05 . 1 . . . . . 250 L N . 27915 1 68 . 1 . 1 19 19 LYS H H 1 8.6980 0.01 . 1 . . . . . 251 K HN . 27915 1 69 . 1 . 1 19 19 LYS CA C 13 56.8654 0.05 . 1 . . . . . 251 K CA . 27915 1 70 . 1 . 1 19 19 LYS CB C 13 36.2392 0.05 . 1 . . . . . 251 K CB . 27915 1 71 . 1 . 1 19 19 LYS N N 15 122.3981 0.05 . 1 . . . . . 251 K N . 27915 1 72 . 1 . 1 20 20 ILE H H 1 9.0458 0.01 . 1 . . . . . 252 I HN . 27915 1 73 . 1 . 1 20 20 ILE CA C 13 62.1839 0.05 . 1 . . . . . 252 I CA . 27915 1 74 . 1 . 1 20 20 ILE CB C 13 37.2512 0.05 . 1 . . . . . 252 I CB . 27915 1 75 . 1 . 1 20 20 ILE N N 15 125.8591 0.05 . 1 . . . . . 252 I N . 27915 1 76 . 1 . 1 21 21 VAL H H 1 9.0458 0.01 . 1 . . . . . 253 V HN . 27915 1 77 . 1 . 1 21 21 VAL CA C 13 65.2901 0.05 . 1 . . . . . 253 V CA . 27915 1 78 . 1 . 1 21 21 VAL CB C 13 31.8537 0.05 . 1 . . . . . 253 V CB . 27915 1 79 . 1 . 1 21 21 VAL N N 15 129.2131 0.05 . 1 . . . . . 253 V N . 27915 1 80 . 1 . 1 22 22 ARG H H 1 7.6475 0.01 . 1 . . . . . 254 R HN . 27915 1 81 . 1 . 1 22 22 ARG CA C 13 55.6133 0.05 . 1 . . . . . 254 R CA . 27915 1 82 . 1 . 1 22 22 ARG CB C 13 33.7091 0.05 . 1 . . . . . 254 R CB . 27915 1 83 . 1 . 1 22 22 ARG N N 15 114.0544 0.05 . 1 . . . . . 254 R N . 27915 1 84 . 1 . 1 23 23 MET H H 1 8.5493 0.01 . 1 . . . . . 255 M HN . 27915 1 85 . 1 . 1 23 23 MET CA C 13 54.8413 0.05 . 1 . . . . . 255 M CA . 27915 1 86 . 1 . 1 23 23 MET CB C 13 37.3355 0.05 . 1 . . . . . 255 M CB . 27915 1 87 . 1 . 1 23 23 MET N N 15 119.5131 0.05 . 1 . . . . . 255 M N . 27915 1 88 . 1 . 1 24 24 ASP H H 1 8.2725 0.01 . 1 . . . . . 256 D HN . 27915 1 89 . 1 . 1 24 24 ASP CA C 13 55.0525 0.05 . 1 . . . . . 256 D CA . 27915 1 90 . 1 . 1 24 24 ASP CB C 13 37.2530 0.05 . 1 . . . . . 256 D CB . 27915 1 91 . 1 . 1 24 24 ASP N N 15 119.2371 0.05 . 1 . . . . . 256 D N . 27915 1 92 . 1 . 1 25 25 ARG H H 1 7.1346 0.01 . 1 . . . . . 257 R HN . 27915 1 93 . 1 . 1 25 25 ARG CA C 13 55.2637 0.05 . 1 . . . . . 257 R CA . 27915 1 94 . 1 . 1 25 25 ARG CB C 13 33.1187 0.05 . 1 . . . . . 257 R CB . 27915 1 95 . 1 . 1 25 25 ARG N N 15 119.1690 0.05 . 1 . . . . . 257 R N . 27915 1 96 . 1 . 1 26 26 THR H H 1 8.3996 0.01 . 1 . . . . . 258 T HN . 27915 1 97 . 1 . 1 26 26 THR CA C 13 60.0164 0.05 . 1 . . . . . 258 T CA . 27915 1 98 . 1 . 1 26 26 THR CB C 13 68.2871 0.05 . 1 . . . . . 258 T CB . 27915 1 99 . 1 . 1 26 26 THR N N 15 109.1145 0.05 . 1 . . . . . 258 T N . 27915 1 100 . 1 . 1 27 27 ALA H H 1 7.2172 0.01 . 1 . . . . . 259 A HN . 27915 1 101 . 1 . 1 27 27 ALA CA C 13 49.5401 0.05 . 1 . . . . . 259 A CA . 27915 1 102 . 1 . 1 27 27 ALA CB C 13 22.8297 0.05 . 1 . . . . . 259 A CB . 27915 1 103 . 1 . 1 27 27 ALA N N 15 123.6697 0.05 . 1 . . . . . 259 A N . 27915 1 104 . 1 . 1 28 28 GLY H H 1 8.3656 0.01 . 1 . . . . . 260 G HN . 27915 1 105 . 1 . 1 28 28 GLY CA C 13 44.4542 0.05 . 1 . . . . . 260 G CA . 27915 1 106 . 1 . 1 28 28 GLY N N 15 107.6328 0.05 . 1 . . . . . 260 G N . 27915 1 107 . 1 . 1 29 29 CYS H H 1 8.9963 0.01 . 1 . . . . . 261 C HN . 27915 1 108 . 1 . 1 29 29 CYS CA C 13 58.7332 0.05 . 1 . . . . . 261 C CA . 27915 1 109 . 1 . 1 29 29 CYS CB C 13 27.2152 0.05 . 1 . . . . . 261 C CB . 27915 1 110 . 1 . 1 29 29 CYS N N 15 120.0728 0.05 . 1 . . . . . 261 C N . 27915 1 111 . 1 . 1 30 30 VAL H H 1 8.3762 0.01 . 1 . . . . . 262 V HN . 27915 1 112 . 1 . 1 30 30 VAL CA C 13 64.6323 0.05 . 1 . . . . . 262 V CA . 27915 1 113 . 1 . 1 30 30 VAL CB C 13 32.2753 0.05 . 1 . . . . . 262 V CB . 27915 1 114 . 1 . 1 30 30 VAL N N 15 122.7919 0.05 . 1 . . . . . 262 V N . 27915 1 115 . 1 . 1 31 31 THR H H 1 7.3363 0.01 . 1 . . . . . 263 T HN . 27915 1 116 . 1 . 1 31 31 THR CA C 13 63.8145 0.05 . 1 . . . . . 263 T CA . 27915 1 117 . 1 . 1 31 31 THR CB C 13 68.4557 0.05 . 1 . . . . . 263 T CB . 27915 1 118 . 1 . 1 31 31 THR N N 15 109.5341 0.05 . 1 . . . . . 263 T N . 27915 1 119 . 1 . 1 32 32 GLY H H 1 7.6698 0.01 . 1 . . . . . 264 G HN . 27915 1 120 . 1 . 1 32 32 GLY CA C 13 44.1517 0.05 . 1 . . . . . 264 G CA . 27915 1 121 . 1 . 1 32 32 GLY N N 15 105.9733 0.05 . 1 . . . . . 264 G N . 27915 1 122 . 1 . 1 33 33 GLY H H 1 9.0243 0.01 . 1 . . . . . 265 G HN . 27915 1 123 . 1 . 1 33 33 GLY CA C 13 45.7651 0.05 . 1 . . . . . 265 G CA . 27915 1 124 . 1 . 1 33 33 GLY N N 15 106.8623 0.05 . 1 . . . . . 265 G N . 27915 1 125 . 1 . 1 34 34 GLU H H 1 7.8071 0.01 . 1 . . . . . 266 E HN . 27915 1 126 . 1 . 1 34 34 GLU CA C 13 55.2939 0.05 . 1 . . . . . 266 E CA . 27915 1 127 . 1 . 1 34 34 GLU CB C 13 30.7573 0.05 . 1 . . . . . 266 E CB . 27915 1 128 . 1 . 1 34 34 GLU N N 15 119.1861 0.05 . 1 . . . . . 266 E N . 27915 1 129 . 1 . 1 35 35 GLU H H 1 8.6170 0.01 . 1 . . . . . 267 E HN . 27915 1 130 . 1 . 1 35 35 GLU CA C 13 56.7000 0.05 . 1 . . . . . 267 E CA . 27915 1 131 . 1 . 1 35 35 GLU CB C 13 31.0946 0.05 . 1 . . . . . 267 E CB . 27915 1 132 . 1 . 1 35 35 GLU N N 15 123.0114 0.05 . 1 . . . . . 267 E N . 27915 1 133 . 1 . 1 36 36 ILE H H 1 9.1614 0.01 . 1 . . . . . 268 I HN . 27915 1 134 . 1 . 1 36 36 ILE CA C 13 60.0645 0.05 . 1 . . . . . 268 I CA . 27915 1 135 . 1 . 1 36 36 ILE CB C 13 39.1909 0.05 . 1 . . . . . 268 I CB . 27915 1 136 . 1 . 1 36 36 ILE N N 15 128.2169 0.05 . 1 . . . . . 268 I N . 27915 1 137 . 1 . 1 37 37 TYR H H 1 8.6521 0.01 . 1 . . . . . 269 Y HN . 27915 1 138 . 1 . 1 37 37 TYR CA C 13 56.1909 0.05 . 1 . . . . . 269 Y CA . 27915 1 139 . 1 . 1 37 37 TYR CB C 13 38.4319 0.05 . 1 . . . . . 269 Y CB . 27915 1 140 . 1 . 1 37 37 TYR N N 15 125.2945 0.05 . 1 . . . . . 269 Y N . 27915 1 141 . 1 . 1 38 38 LEU H H 1 8.9677 0.01 . 1 . . . . . 270 L HN . 27915 1 142 . 1 . 1 38 38 LEU CA C 13 53.9618 0.05 . 1 . . . . . 270 L CA . 27915 1 143 . 1 . 1 38 38 LEU CB C 13 45.2632 0.05 . 1 . . . . . 270 L CB . 27915 1 144 . 1 . 1 38 38 LEU N N 15 124.7964 0.05 . 1 . . . . . 270 L N . 27915 1 145 . 1 . 1 39 39 LEU H H 1 9.3269 0.01 . 1 . . . . . 271 L HN . 27915 1 146 . 1 . 1 39 39 LEU CA C 13 53.7791 0.05 . 1 . . . . . 271 L CA . 27915 1 147 . 1 . 1 39 39 LEU CB C 13 38.7693 0.05 . 1 . . . . . 271 L CB . 27915 1 148 . 1 . 1 39 39 LEU N N 15 124.7964 0.05 . 1 . . . . . 271 L N . 27915 1 149 . 1 . 1 40 40 CYS H H 1 8.8198 0.01 . 1 . . . . . 272 C HN . 27915 1 150 . 1 . 1 40 40 CYS CA C 13 54.5008 0.05 . 1 . . . . . 272 C CA . 27915 1 151 . 1 . 1 40 40 CYS CB C 13 34.2151 0.05 . 1 . . . . . 272 C CB . 27915 1 152 . 1 . 1 40 40 CYS N N 15 122.2058 0.05 . 1 . . . . . 272 C N . 27915 1 153 . 1 . 1 41 41 ASP H H 1 7.3478 0.01 . 1 . . . . . 273 D HN . 27915 1 154 . 1 . 1 41 41 ASP CA C 13 54.8715 0.05 . 1 . . . . . 273 D CA . 27915 1 155 . 1 . 1 41 41 ASP CB C 13 41.2150 0.05 . 1 . . . . . 273 D CB . 27915 1 156 . 1 . 1 41 41 ASP N N 15 118.0637 0.05 . 1 . . . . . 273 D N . 27915 1 157 . 1 . 1 42 42 LYS H H 1 8.1984 0.01 . 1 . . . . . 274 K HN . 27915 1 158 . 1 . 1 42 42 LYS CA C 13 58.4315 0.05 . 1 . . . . . 274 K CA . 27915 1 159 . 1 . 1 42 42 LYS CB C 13 32.1910 0.05 . 1 . . . . . 274 K CB . 27915 1 160 . 1 . 1 42 42 LYS N N 15 118.2737 0.05 . 1 . . . . . 274 K N . 27915 1 161 . 1 . 1 43 43 VAL H H 1 8.5003 0.01 . 1 . . . . . 275 V HN . 27915 1 162 . 1 . 1 43 43 VAL CA C 13 58.7030 0.05 . 1 . . . . . 275 V CA . 27915 1 163 . 1 . 1 43 43 VAL CB C 13 35.2271 0.05 . 1 . . . . . 275 V CB . 27915 1 164 . 1 . 1 43 43 VAL N N 15 119.8440 0.05 . 1 . . . . . 275 V N . 27915 1 165 . 1 . 1 44 44 GLN H H 1 8.5857 0.01 . 1 . . . . . 276 Q HN . 27915 1 166 . 1 . 1 44 44 GLN CA C 13 54.1776 0.05 . 1 . . . . . 276 Q CA . 27915 1 167 . 1 . 1 44 44 GLN CB C 13 29.0706 0.05 . 1 . . . . . 276 Q CB . 27915 1 168 . 1 . 1 44 44 GLN N N 15 119.5122 0.05 . 1 . . . . . 276 Q N . 27915 1 169 . 1 . 1 45 45 LYS H H 1 8.7980 0.01 . 1 . . . . . 277 K HN . 27915 1 170 . 1 . 1 45 45 LYS CA C 13 59.6250 0.05 . 1 . . . . . 277 K CA . 27915 1 171 . 1 . 1 45 45 LYS CB C 13 31.2633 0.05 . 1 . . . . . 277 K CB . 27915 1 172 . 1 . 1 45 45 LYS N N 15 123.3446 0.05 . 1 . . . . . 277 K N . 27915 1 173 . 1 . 1 46 46 ASP H H 1 8.2199 0.01 . 1 . . . . . 278 D HN . 27915 1 174 . 1 . 1 46 46 ASP CA C 13 53.6638 0.05 . 1 . . . . . 278 D CA . 27915 1 175 . 1 . 1 46 46 ASP CB C 13 40.2873 0.05 . 1 . . . . . 278 D CB . 27915 1 176 . 1 . 1 46 46 ASP N N 15 116.2227 0.05 . 1 . . . . . 278 D N . 27915 1 177 . 1 . 1 47 47 ASP H H 1 8.0698 0.01 . 1 . . . . . 279 D HN . 27915 1 178 . 1 . 1 47 47 ASP CA C 13 52.5183 0.05 . 1 . . . . . 279 D CA . 27915 1 179 . 1 . 1 47 47 ASP CB C 13 41.5909 0.05 . 1 . . . . . 279 D CB . 27915 1 180 . 1 . 1 47 47 ASP N N 15 120.4587 0.05 . 1 . . . . . 279 D N . 27915 1 181 . 1 . 1 48 48 ILE H H 1 7.8036 0.01 . 1 . . . . . 280 I HN . 27915 1 182 . 1 . 1 48 48 ILE CA C 13 56.9241 0.05 . 1 . . . . . 280 I CA . 27915 1 183 . 1 . 1 48 48 ILE CB C 13 41.7210 0.05 . 1 . . . . . 280 I CB . 27915 1 184 . 1 . 1 48 48 ILE N N 15 117.3241 0.05 . 1 . . . . . 280 I N . 27915 1 185 . 1 . 1 49 49 GLN H H 1 8.9333 0.01 . 1 . . . . . 281 Q HN . 27915 1 186 . 1 . 1 49 49 GLN CA C 13 53.8156 0.05 . 1 . . . . . 281 Q CA . 27915 1 187 . 1 . 1 49 49 GLN CB C 13 32.7814 0.05 . 1 . . . . . 281 Q CB . 27915 1 188 . 1 . 1 49 49 GLN N N 15 124.1987 0.05 . 1 . . . . . 281 Q N . 27915 1 189 . 1 . 1 50 50 ILE H H 1 9.3904 0.01 . 1 . . . . . 282 I HN . 27915 1 190 . 1 . 1 50 50 ILE CA C 13 60.5858 0.05 . 1 . . . . . 282 I CA . 27915 1 191 . 1 . 1 50 50 ILE CB C 13 39.1066 0.05 . 1 . . . . . 282 I CB . 27915 1 192 . 1 . 1 50 50 ILE N N 15 122.0034 0.05 . 1 . . . . . 282 I N . 27915 1 193 . 1 . 1 51 51 ARG H H 1 8.9427 0.01 . 1 . . . . . 283 R HN . 27915 1 194 . 1 . 1 51 51 ARG CA C 13 54.8388 0.05 . 1 . . . . . 283 R CA . 27915 1 195 . 1 . 1 51 51 ARG CB C 13 32.7814 0.05 . 1 . . . . . 283 R CB . 27915 1 196 . 1 . 1 51 51 ARG N N 15 129.1799 0.05 . 1 . . . . . 283 R N . 27915 1 197 . 1 . 1 52 52 PHE H H 1 9.2488 0.01 . 1 . . . . . 284 F HN . 27915 1 198 . 1 . 1 52 52 PHE CA C 13 55.3870 0.05 . 1 . . . . . 284 F CA . 27915 1 199 . 1 . 1 52 52 PHE CB C 13 40.2873 0.05 . 1 . . . . . 284 F CB . 27915 1 200 . 1 . 1 52 52 PHE N N 15 129.2131 0.05 . 1 . . . . . 284 F N . 27915 1 201 . 1 . 1 53 53 TYR H H 1 9.6068 0.01 . 1 . . . . . 285 Y HN . 27915 1 202 . 1 . 1 53 53 TYR CA C 13 56.7225 0.05 . 1 . . . . . 285 Y CA . 27915 1 203 . 1 . 1 53 53 TYR CB C 13 40.2873 0.05 . 1 . . . . . 285 Y CB . 27915 1 204 . 1 . 1 53 53 TYR N N 15 116.6360 0.05 . 1 . . . . . 285 Y N . 27915 1 205 . 1 . 1 54 54 GLU H H 1 8.9558 0.01 . 1 . . . . . 286 E HN . 27915 1 206 . 1 . 1 54 54 GLU CA C 13 54.8413 0.05 . 1 . . . . . 286 E CA . 27915 1 207 . 1 . 1 54 54 GLU CB C 13 34.6368 0.05 . 1 . . . . . 286 E CB . 27915 1 208 . 1 . 1 54 54 GLU N N 15 118.8111 0.05 . 1 . . . . . 286 E N . 27915 1 209 . 1 . 1 55 55 GLU H H 1 9.4144 0.01 . 1 . . . . . 287 E HN . 27915 1 210 . 1 . 1 55 55 GLU CA C 13 56.5198 0.05 . 1 . . . . . 287 E CA . 27915 1 211 . 1 . 1 55 55 GLU CB C 13 29.5766 0.05 . 1 . . . . . 287 E CB . 27915 1 212 . 1 . 1 55 55 GLU N N 15 126.5233 0.05 . 1 . . . . . 287 E N . 27915 1 213 . 1 . 1 56 56 GLU H H 1 8.6115 0.01 . 1 . . . . . 288 E HN . 27915 1 214 . 1 . 1 56 56 GLU CA C 13 55.4966 0.05 . 1 . . . . . 288 E CA . 27915 1 215 . 1 . 1 56 56 GLU CB C 13 30.6730 0.05 . 1 . . . . . 288 E CB . 27915 1 216 . 1 . 1 56 56 GLU N N 15 123.9662 0.05 . 1 . . . . . 288 E N . 27915 1 217 . 1 . 1 57 57 GLU H H 1 8.8857 0.01 . 1 . . . . . 289 E HN . 27915 1 218 . 1 . 1 57 57 GLU CA C 13 58.4576 0.05 . 1 . . . . . 289 E CA . 27915 1 219 . 1 . 1 57 57 GLU CB C 13 29.0706 0.05 . 1 . . . . . 289 E CB . 27915 1 220 . 1 . 1 57 57 GLU N N 15 122.2116 0.05 . 1 . . . . . 289 E N . 27915 1 221 . 1 . 1 58 58 ASN H H 1 8.4382 0.01 . 1 . . . . . 290 N HN . 27915 1 222 . 1 . 1 58 58 ASN CA C 13 53.3613 0.05 . 1 . . . . . 290 N CA . 27915 1 223 . 1 . 1 58 58 ASN CB C 13 37.5042 0.05 . 1 . . . . . 290 N CB . 27915 1 224 . 1 . 1 58 58 ASN N N 15 115.6557 0.05 . 1 . . . . . 290 N N . 27915 1 225 . 1 . 1 59 59 GLY H H 1 8.0749 0.01 . 1 . . . . . 291 G HN . 27915 1 226 . 1 . 1 59 59 GLY CA C 13 45.1265 0.05 . 1 . . . . . 291 G CA . 27915 1 227 . 1 . 1 59 59 GLY N N 15 107.3365 0.05 . 1 . . . . . 291 G N . 27915 1 228 . 1 . 1 60 60 GLY H H 1 8.0038 0.01 . 1 . . . . . 292 G HN . 27915 1 229 . 1 . 1 60 60 GLY CA C 13 44.7568 0.05 . 1 . . . . . 292 G CA . 27915 1 230 . 1 . 1 60 60 GLY N N 15 109.0552 0.05 . 1 . . . . . 292 G N . 27915 1 231 . 1 . 1 61 61 VAL H H 1 8.2525 0.01 . 1 . . . . . 293 V HN . 27915 1 232 . 1 . 1 61 61 VAL CA C 13 61.1165 0.05 . 1 . . . . . 293 V CA . 27915 1 233 . 1 . 1 61 61 VAL CB C 13 34.7913 0.05 . 1 . . . . . 293 V CB . 27915 1 234 . 1 . 1 61 61 VAL N N 15 119.2292 0.05 . 1 . . . . . 293 V N . 27915 1 235 . 1 . 1 62 62 TRP H H 1 8.9145 0.01 . 1 . . . . . 294 W HN . 27915 1 236 . 1 . 1 62 62 TRP CA C 13 57.9450 0.05 . 1 . . . . . 294 W CA . 27915 1 237 . 1 . 1 62 62 TRP CB C 13 29.3236 0.05 . 1 . . . . . 294 W CB . 27915 1 238 . 1 . 1 62 62 TRP N N 15 128.3497 0.05 . 1 . . . . . 294 W N . 27915 1 239 . 1 . 1 63 63 GLU H H 1 6.9122 0.01 . 1 . . . . . 295 E HN . 27915 1 240 . 1 . 1 63 63 GLU CA C 13 53.0848 0.05 . 1 . . . . . 295 E CA . 27915 1 241 . 1 . 1 63 63 GLU CB C 13 32.6127 0.05 . 1 . . . . . 295 E CB . 27915 1 242 . 1 . 1 63 63 GLU N N 15 122.4757 0.05 . 1 . . . . . 295 E N . 27915 1 243 . 1 . 1 64 64 GLY H H 1 8.2172 0.01 . 1 . . . . . 296 G HN . 27915 1 244 . 1 . 1 64 64 GLY CA C 13 43.3451 0.05 . 1 . . . . . 296 G CA . 27915 1 245 . 1 . 1 64 64 GLY N N 15 107.8699 0.05 . 1 . . . . . 296 G N . 27915 1 246 . 1 . 1 65 65 PHE H H 1 8.7850 0.01 . 1 . . . . . 297 F HN . 27915 1 247 . 1 . 1 65 65 PHE CA C 13 56.7118 0.05 . 1 . . . . . 297 F CA . 27915 1 248 . 1 . 1 65 65 PHE CB C 13 40.8777 0.05 . 1 . . . . . 297 F CB . 27915 1 249 . 1 . 1 65 65 PHE N N 15 117.9029 0.05 . 1 . . . . . 297 F N . 27915 1 250 . 1 . 1 66 66 GLY H H 1 9.4294 0.01 . 1 . . . . . 298 G HN . 27915 1 251 . 1 . 1 66 66 GLY CA C 13 45.8323 0.05 . 1 . . . . . 298 G CA . 27915 1 252 . 1 . 1 66 66 GLY N N 15 106.7141 0.05 . 1 . . . . . 298 G N . 27915 1 253 . 1 . 1 67 67 ASP H H 1 9.3582 0.01 . 1 . . . . . 299 D HN . 27915 1 254 . 1 . 1 67 67 ASP CA C 13 54.1445 0.05 . 1 . . . . . 299 D CA . 27915 1 255 . 1 . 1 67 67 ASP CB C 13 42.8174 0.05 . 1 . . . . . 299 D CB . 27915 1 256 . 1 . 1 67 67 ASP N N 15 125.4938 0.05 . 1 . . . . . 299 D N . 27915 1 257 . 1 . 1 68 68 PHE H H 1 7.9209 0.01 . 1 . . . . . 300 F HN . 27915 1 258 . 1 . 1 68 68 PHE CA C 13 56.8497 0.05 . 1 . . . . . 300 F CA . 27915 1 259 . 1 . 1 68 68 PHE CB C 13 39.6126 0.05 . 1 . . . . . 300 F CB . 27915 1 260 . 1 . 1 68 68 PHE N N 15 121.5186 0.05 . 1 . . . . . 300 F N . 27915 1 261 . 1 . 1 69 69 SER H H 1 9.7957 0.01 . 1 . . . . . 301 S HN . 27915 1 262 . 1 . 1 69 69 SER CA C 13 55.9576 0.05 . 1 . . . . . 301 S CA . 27915 1 263 . 1 . 1 69 69 SER CB C 13 63.7329 0.05 . 1 . . . . . 301 S CB . 27915 1 264 . 1 . 1 69 69 SER N N 15 119.3180 0.05 . 1 . . . . . 301 S N . 27915 1 265 . 1 . 1 70 70 PRO CA C 13 66.3354 0.05 . 1 . . . . . 302 P CA . 27915 1 266 . 1 . 1 70 70 PRO CB C 13 31.1790 0.05 . 1 . . . . . 302 P CB . 27915 1 267 . 1 . 1 71 71 THR H H 1 7.3203 0.01 . 1 . . . . . 303 T HN . 27915 1 268 . 1 . 1 71 71 THR CA C 13 63.4112 0.05 . 1 . . . . . 303 T CA . 27915 1 269 . 1 . 1 71 71 THR CB C 13 68.2027 0.05 . 1 . . . . . 303 T CB . 27915 1 270 . 1 . 1 71 71 THR N N 15 104.4027 0.05 . 1 . . . . . 303 T N . 27915 1 271 . 1 . 1 72 72 ASP H H 1 8.4118 0.01 . 1 . . . . . 304 D HN . 27915 1 272 . 1 . 1 72 72 ASP CA C 13 55.9669 0.05 . 1 . . . . . 304 D CA . 27915 1 273 . 1 . 1 72 72 ASP CB C 13 42.1427 0.05 . 1 . . . . . 304 D CB . 27915 1 274 . 1 . 1 72 72 ASP N N 15 121.2807 0.05 . 1 . . . . . 304 D N . 27915 1 275 . 1 . 1 73 73 VAL H H 1 7.3222 0.01 . 1 . . . . . 305 V HN . 27915 1 276 . 1 . 1 73 73 VAL CA C 13 61.6893 0.05 . 1 . . . . . 305 V CA . 27915 1 277 . 1 . 1 73 73 VAL CB C 13 29.4922 0.05 . 1 . . . . . 305 V CB . 27915 1 278 . 1 . 1 73 73 VAL N N 15 121.4763 0.05 . 1 . . . . . 305 V N . 27915 1 279 . 1 . 1 74 74 HIS H H 1 8.9645 0.01 . 1 . . . . . 306 H HN . 27915 1 280 . 1 . 1 74 74 HIS CA C 13 55.5332 0.05 . 1 . . . . . 306 H CA . 27915 1 281 . 1 . 1 74 74 HIS CB C 13 32.2763 0.05 . 1 . . . . . 306 H CB . 27915 1 282 . 1 . 1 74 74 HIS N N 15 131.0728 0.05 . 1 . . . . . 306 H N . 27915 1 283 . 1 . 1 75 75 ARG H H 1 8.8336 0.01 . 1 . . . . . 307 R HN . 27915 1 284 . 1 . 1 75 75 ARG CA C 13 54.6878 0.05 . 1 . . . . . 307 R CA . 27915 1 285 . 1 . 1 75 75 ARG CB C 13 26.1188 0.05 . 1 . . . . . 307 R CB . 27915 1 286 . 1 . 1 75 75 ARG N N 15 122.9707 0.05 . 1 . . . . . 307 R N . 27915 1 287 . 1 . 1 76 76 GLN H H 1 7.3946 0.01 . 1 . . . . . 308 Q HN . 27915 1 288 . 1 . 1 76 76 GLN CA C 13 58.7392 0.05 . 1 . . . . . 308 Q CA . 27915 1 289 . 1 . 1 76 76 GLN CB C 13 28.7332 0.05 . 1 . . . . . 308 Q CB . 27915 1 290 . 1 . 1 76 76 GLN N N 15 104.6398 0.05 . 1 . . . . . 308 Q N . 27915 1 291 . 1 . 1 77 77 PHE H H 1 7.7338 0.01 . 1 . . . . . 309 F HN . 27915 1 292 . 1 . 1 77 77 PHE CA C 13 59.2769 0.05 . 1 . . . . . 309 F CA . 27915 1 293 . 1 . 1 77 77 PHE CB C 13 42.3114 0.05 . 1 . . . . . 309 F CB . 27915 1 294 . 1 . 1 77 77 PHE N N 15 114.7342 0.05 . 1 . . . . . 309 F N . 27915 1 295 . 1 . 1 78 78 ALA H H 1 7.6688 0.01 . 1 . . . . . 310 A HN . 27915 1 296 . 1 . 1 78 78 ALA CA C 13 51.3719 0.05 . 1 . . . . . 310 A CA . 27915 1 297 . 1 . 1 78 78 ALA CB C 13 22.9983 0.05 . 1 . . . . . 310 A CB . 27915 1 298 . 1 . 1 78 78 ALA N N 15 120.3357 0.05 . 1 . . . . . 310 A N . 27915 1 299 . 1 . 1 79 79 ILE H H 1 9.5497 0.01 . 1 . . . . . 311 I HN . 27915 1 300 . 1 . 1 79 79 ILE CA C 13 61.6294 0.05 . 1 . . . . . 311 I CA . 27915 1 301 . 1 . 1 79 79 ILE CB C 13 41.9741 0.05 . 1 . . . . . 311 I CB . 27915 1 302 . 1 . 1 79 79 ILE N N 15 119.7044 0.05 . 1 . . . . . 311 I N . 27915 1 303 . 1 . 1 80 80 VAL H H 1 7.2399 0.01 . 1 . . . . . 312 V HN . 27915 1 304 . 1 . 1 80 80 VAL CA C 13 61.0532 0.05 . 1 . . . . . 312 V CA . 27915 1 305 . 1 . 1 80 80 VAL CB C 13 31.7693 0.05 . 1 . . . . . 312 V CB . 27915 1 306 . 1 . 1 80 80 VAL N N 15 128.1505 0.05 . 1 . . . . . 312 V N . 27915 1 307 . 1 . 1 81 81 PHE H H 1 8.8056 0.01 . 1 . . . . . 313 F HN . 27915 1 308 . 1 . 1 81 81 PHE CA C 13 54.5481 0.05 . 1 . . . . . 313 F CA . 27915 1 309 . 1 . 1 81 81 PHE CB C 13 43.4921 0.05 . 1 . . . . . 313 F CB . 27915 1 310 . 1 . 1 81 81 PHE N N 15 121.8902 0.05 . 1 . . . . . 313 F N . 27915 1 311 . 1 . 1 82 82 LYS H H 1 9.0390 0.01 . 1 . . . . . 314 K HN . 27915 1 312 . 1 . 1 82 82 LYS CA C 13 53.5294 0.05 . 1 . . . . . 314 K CA . 27915 1 313 . 1 . 1 82 82 LYS CB C 13 35.2271 0.05 . 1 . . . . . 314 K CB . 27915 1 314 . 1 . 1 82 82 LYS N N 15 116.2879 0.05 . 1 . . . . . 314 K N . 27915 1 315 . 1 . 1 83 83 THR H H 1 9.0184 0.01 . 1 . . . . . 315 T HN . 27915 1 316 . 1 . 1 83 83 THR CA C 13 59.4114 0.05 . 1 . . . . . 315 T CA . 27915 1 317 . 1 . 1 83 83 THR CB C 13 67.8654 0.05 . 1 . . . . . 315 T CB . 27915 1 318 . 1 . 1 83 83 THR N N 15 113.3651 0.05 . 1 . . . . . 315 T N . 27915 1 319 . 1 . 1 85 85 LYS H H 1 8.4405 0.01 . 1 . . . . . 317 K HN . 27915 1 320 . 1 . 1 85 85 LYS CA C 13 56.5029 0.05 . 1 . . . . . 317 K CA . 27915 1 321 . 1 . 1 85 85 LYS CB C 13 32.3597 0.05 . 1 . . . . . 317 K CB . 27915 1 322 . 1 . 1 85 85 LYS N N 15 122.0720 0.05 . 1 . . . . . 317 K N . 27915 1 323 . 1 . 1 89 89 VAL H H 1 8.1030 0.01 . 1 . . . . . 321 V HN . 27915 1 324 . 1 . 1 89 89 VAL CA C 13 61.6970 0.05 . 1 . . . . . 321 V CA . 27915 1 325 . 1 . 1 89 89 VAL CB C 13 29.9983 0.05 . 1 . . . . . 321 V CB . 27915 1 326 . 1 . 1 89 89 VAL N N 15 115.1949 0.05 . 1 . . . . . 321 V N . 27915 1 327 . 1 . 1 90 90 ASN H H 1 8.6917 0.01 . 1 . . . . . 322 N HN . 27915 1 328 . 1 . 1 90 90 ASN CA C 13 52.9105 0.05 . 1 . . . . . 322 N CA . 27915 1 329 . 1 . 1 90 90 ASN CB C 13 38.4319 0.05 . 1 . . . . . 322 N CB . 27915 1 330 . 1 . 1 90 90 ASN N N 15 119.6067 0.05 . 1 . . . . . 322 N N . 27915 1 331 . 1 . 1 91 91 ILE H H 1 6.5059 0.01 . 1 . . . . . 323 I HN . 27915 1 332 . 1 . 1 91 91 ILE CA C 13 62.6045 0.05 . 1 . . . . . 323 I CA . 27915 1 333 . 1 . 1 91 91 ILE CB C 13 38.2632 0.05 . 1 . . . . . 323 I CB . 27915 1 334 . 1 . 1 91 91 ILE N N 15 112.2494 0.05 . 1 . . . . . 323 I N . 27915 1 335 . 1 . 1 92 92 THR H H 1 8.5388 0.01 . 1 . . . . . 324 T HN . 27915 1 336 . 1 . 1 92 92 THR CA C 13 62.5709 0.05 . 1 . . . . . 324 T CA . 27915 1 337 . 1 . 1 92 92 THR CB C 13 69.2991 0.05 . 1 . . . . . 324 T CB . 27915 1 338 . 1 . 1 92 92 THR N N 15 108.8774 0.05 . 1 . . . . . 324 T N . 27915 1 339 . 1 . 1 93 93 LYS H H 1 7.5786 0.01 . 1 . . . . . 325 K HN . 27915 1 340 . 1 . 1 93 93 LYS CA C 13 53.0820 0.05 . 1 . . . . . 325 K CA . 27915 1 341 . 1 . 1 93 93 LYS CB C 13 32.8657 0.05 . 1 . . . . . 325 K CB . 27915 1 342 . 1 . 1 93 93 LYS N N 15 121.9203 0.05 . 1 . . . . . 325 K N . 27915 1 343 . 1 . 1 94 94 PRO CA C 13 63.4995 0.05 . 1 . . . . . 326 P CA . 27915 1 344 . 1 . 1 94 94 PRO CB C 13 31.8537 0.05 . 1 . . . . . 326 P CB . 27915 1 345 . 1 . 1 95 95 ALA H H 1 8.8083 0.01 . 1 . . . . . 327 A HN . 27915 1 346 . 1 . 1 95 95 ALA CA C 13 50.4537 0.05 . 1 . . . . . 327 A CA . 27915 1 347 . 1 . 1 95 95 ALA CB C 13 20.6369 0.05 . 1 . . . . . 327 A CB . 27915 1 348 . 1 . 1 95 95 ALA N N 15 126.0915 0.05 . 1 . . . . . 327 A N . 27915 1 349 . 1 . 1 96 96 SER H H 1 8.4379 0.01 . 1 . . . . . 328 S HN . 27915 1 350 . 1 . 1 96 96 SER CA C 13 58.0694 0.05 . 1 . . . . . 328 S CA . 27915 1 351 . 1 . 1 96 96 SER CB C 13 63.1425 0.05 . 1 . . . . . 328 S CB . 27915 1 352 . 1 . 1 96 96 SER N N 15 118.5503 0.05 . 1 . . . . . 328 S N . 27915 1 353 . 1 . 1 97 97 VAL H H 1 9.0746 0.01 . 1 . . . . . 329 V HN . 27915 1 354 . 1 . 1 97 97 VAL CA C 13 58.4734 0.05 . 1 . . . . . 329 V CA . 27915 1 355 . 1 . 1 97 97 VAL CB C 13 33.1187 0.05 . 1 . . . . . 329 V CB . 27915 1 356 . 1 . 1 97 97 VAL N N 15 121.0798 0.05 . 1 . . . . . 329 V N . 27915 1 357 . 1 . 1 98 98 PHE H H 1 8.7671 0.01 . 1 . . . . . 330 F HN . 27915 1 358 . 1 . 1 98 98 PHE CA C 13 56.3800 0.05 . 1 . . . . . 330 F CA . 27915 1 359 . 1 . 1 98 98 PHE CB C 13 43.0704 0.05 . 1 . . . . . 330 F CB . 27915 1 360 . 1 . 1 98 98 PHE N N 15 118.6688 0.05 . 1 . . . . . 330 F N . 27915 1 361 . 1 . 1 99 99 VAL H H 1 9.1658 0.01 . 1 . . . . . 331 V HN . 27915 1 362 . 1 . 1 99 99 VAL CA C 13 58.7392 0.05 . 1 . . . . . 331 V CA . 27915 1 363 . 1 . 1 99 99 VAL CB C 13 33.7934 0.05 . 1 . . . . . 331 V CB . 27915 1 364 . 1 . 1 99 99 VAL N N 15 117.4914 0.05 . 1 . . . . . 331 V N . 27915 1 365 . 1 . 1 100 100 GLN H H 1 8.9645 0.01 . 1 . . . . . 332 Q HN . 27915 1 366 . 1 . 1 100 100 GLN CA C 13 53.2424 0.05 . 1 . . . . . 332 Q CA . 27915 1 367 . 1 . 1 100 100 GLN CB C 13 31.2633 0.05 . 1 . . . . . 332 Q CB . 27915 1 368 . 1 . 1 100 100 GLN N N 15 120.2383 0.05 . 1 . . . . . 332 Q N . 27915 1 369 . 1 . 1 102 102 ARG H H 1 8.5862 0.01 . 1 . . . . . 334 R HN . 27915 1 370 . 1 . 1 102 102 ARG CA C 13 54.7467 0.05 . 1 . . . . . 334 R CA . 27915 1 371 . 1 . 1 102 102 ARG CB C 13 35.2306 0.05 . 1 . . . . . 334 R CB . 27915 1 372 . 1 . 1 102 102 ARG N N 15 120.3117 0.05 . 1 . . . . . 334 R N . 27915 1 373 . 1 . 1 103 103 ARG H H 1 8.6521 0.01 . 1 . . . . . 335 R HN . 27915 1 374 . 1 . 1 103 103 ARG CA C 13 55.8986 0.05 . 1 . . . . . 335 R CA . 27915 1 375 . 1 . 1 103 103 ARG CB C 13 31.6007 0.05 . 1 . . . . . 335 R CB . 27915 1 376 . 1 . 1 103 103 ARG N N 15 127.2206 0.05 . 1 . . . . . 335 R N . 27915 1 377 . 1 . 1 104 104 LYS H H 1 7.2680 0.01 . 1 . . . . . 336 K HN . 27915 1 378 . 1 . 1 104 104 LYS CA C 13 59.3336 0.05 . 1 . . . . . 336 K CA . 27915 1 379 . 1 . 1 104 104 LYS CB C 13 31.6850 0.05 . 1 . . . . . 336 K CB . 27915 1 380 . 1 . 1 104 104 LYS N N 15 124.6968 0.05 . 1 . . . . . 336 K N . 27915 1 381 . 1 . 1 105 105 SER H H 1 9.8584 0.01 . 1 . . . . . 337 S HN . 27915 1 382 . 1 . 1 105 105 SER CA C 13 60.2853 0.05 . 1 . . . . . 337 S CA . 27915 1 383 . 1 . 1 105 105 SER N N 15 114.7423 0.05 . 1 . . . . . 337 S N . 27915 1 384 . 1 . 1 106 106 ASP H H 1 7.1633 0.01 . 1 . . . . . 338 D HN . 27915 1 385 . 1 . 1 106 106 ASP CA C 13 52.1177 0.05 . 1 . . . . . 338 D CA . 27915 1 386 . 1 . 1 106 106 ASP CB C 13 40.9620 0.05 . 1 . . . . . 338 D CB . 27915 1 387 . 1 . 1 106 106 ASP N N 15 116.6143 0.05 . 1 . . . . . 338 D N . 27915 1 388 . 1 . 1 107 107 LEU H H 1 7.5530 0.01 . 1 . . . . . 339 L HN . 27915 1 389 . 1 . 1 107 107 LEU CA C 13 56.0838 0.05 . 1 . . . . . 339 L CA . 27915 1 390 . 1 . 1 107 107 LEU CB C 13 37.8416 0.05 . 1 . . . . . 339 L CB . 27915 1 391 . 1 . 1 107 107 LEU N N 15 115.0106 0.05 . 1 . . . . . 339 L N . 27915 1 392 . 1 . 1 108 108 GLU H H 1 7.7128 0.01 . 1 . . . . . 340 E HN . 27915 1 393 . 1 . 1 108 108 GLU CA C 13 57.2247 0.05 . 1 . . . . . 340 E CA . 27915 1 394 . 1 . 1 108 108 GLU CB C 13 29.4079 0.05 . 1 . . . . . 340 E CB . 27915 1 395 . 1 . 1 108 108 GLU N N 15 120.2676 0.05 . 1 . . . . . 340 E N . 27915 1 396 . 1 . 1 109 109 THR H H 1 8.1368 0.01 . 1 . . . . . 341 T HN . 27915 1 397 . 1 . 1 109 109 THR CA C 13 59.0081 0.05 . 1 . . . . . 341 T CA . 27915 1 398 . 1 . 1 109 109 THR CB C 13 72.6726 0.05 . 1 . . . . . 341 T CB . 27915 1 399 . 1 . 1 109 109 THR N N 15 108.9959 0.05 . 1 . . . . . 341 T N . 27915 1 400 . 1 . 1 110 110 SER H H 1 8.3403 0.01 . 1 . . . . . 342 S HN . 27915 1 401 . 1 . 1 110 110 SER CA C 13 57.2939 0.05 . 1 . . . . . 342 S CA . 27915 1 402 . 1 . 1 110 110 SER CB C 13 66.6003 0.05 . 1 . . . . . 342 S CB . 27915 1 403 . 1 . 1 110 110 SER N N 15 113.8917 0.05 . 1 . . . . . 342 S N . 27915 1 404 . 1 . 1 111 111 GLU H H 1 8.9230 0.01 . 1 . . . . . 343 E HN . 27915 1 405 . 1 . 1 111 111 GLU CA C 13 55.5255 0.05 . 1 . . . . . 343 E CA . 27915 1 406 . 1 . 1 111 111 GLU CB C 13 28.4802 0.05 . 1 . . . . . 343 E CB . 27915 1 407 . 1 . 1 111 111 GLU N N 15 121.8727 0.05 . 1 . . . . . 343 E N . 27915 1 408 . 1 . 1 112 112 PRO CA C 13 62.2328 0.05 . 1 . . . . . 344 P CA . 27915 1 409 . 1 . 1 112 112 PRO CB C 13 33.2874 0.05 . 1 . . . . . 344 P CB . 27915 1 410 . 1 . 1 113 113 LYS H H 1 9.2885 0.01 . 1 . . . . . 345 K HN . 27915 1 411 . 1 . 1 113 113 LYS CA C 13 51.4624 0.05 . 1 . . . . . 345 K CA . 27915 1 412 . 1 . 1 113 113 LYS CB C 13 33.2874 0.05 . 1 . . . . . 345 K CB . 27915 1 413 . 1 . 1 113 113 LYS N N 15 120.0679 0.05 . 1 . . . . . 345 K N . 27915 1 414 . 1 . 1 114 114 PRO CA C 13 62.8086 0.05 . 1 . . . . . 346 P CA . 27915 1 415 . 1 . 1 114 114 PRO CB C 13 31.8537 0.05 . 1 . . . . . 346 P CB . 27915 1 416 . 1 . 1 115 115 PHE H H 1 8.2254 0.01 . 1 . . . . . 347 F HN . 27915 1 417 . 1 . 1 115 115 PHE CA C 13 56.9916 0.05 . 1 . . . . . 347 F CA . 27915 1 418 . 1 . 1 115 115 PHE CB C 13 42.5644 0.05 . 1 . . . . . 347 F CB . 27915 1 419 . 1 . 1 115 115 PHE N N 15 122.0424 0.05 . 1 . . . . . 347 F N . 27915 1 420 . 1 . 1 116 116 LEU H H 1 7.1618 0.01 . 1 . . . . . 348 L HN . 27915 1 421 . 1 . 1 116 116 LEU CA C 13 53.1944 0.05 . 1 . . . . . 348 L CA . 27915 1 422 . 1 . 1 116 116 LEU CB C 13 44.4198 0.05 . 1 . . . . . 348 L CB . 27915 1 423 . 1 . 1 116 116 LEU N N 15 129.0803 0.05 . 1 . . . . . 348 L N . 27915 1 424 . 1 . 1 117 117 TYR H H 1 8.7738 0.01 . 1 . . . . . 349 Y HN . 27915 1 425 . 1 . 1 117 117 TYR CA C 13 56.6411 0.05 . 1 . . . . . 349 Y CA . 27915 1 426 . 1 . 1 117 117 TYR CB C 13 40.2030 0.05 . 1 . . . . . 349 Y CB . 27915 1 427 . 1 . 1 117 117 TYR N N 15 123.3527 0.05 . 1 . . . . . 349 Y N . 27915 1 428 . 1 . 1 118 118 TYR H H 1 8.5171 0.01 . 1 . . . . . 350 Y HN . 27915 1 429 . 1 . 1 118 118 TYR CA C 13 53.3027 0.05 . 1 . . . . . 350 Y CA . 27915 1 430 . 1 . 1 118 118 TYR CB C 13 38.2632 0.05 . 1 . . . . . 350 Y CB . 27915 1 431 . 1 . 1 118 118 TYR N N 15 117.7422 0.05 . 1 . . . . . 350 Y N . 27915 1 432 . 1 . 1 119 119 PRO CA C 13 62.1465 0.05 . 1 . . . . . 351 P CA . 27915 1 433 . 1 . 1 119 119 PRO CB C 13 32.2753 0.05 . 1 . . . . . 351 P CB . 27915 1 434 . 1 . 1 120 120 GLU H H 1 8.5900 0.01 . 1 . . . . . 352 E HN . 27915 1 435 . 1 . 1 120 120 GLU CA C 13 57.1650 0.05 . 1 . . . . . 352 E CA . 27915 1 436 . 1 . 1 120 120 GLU CB C 13 30.0826 0.05 . 1 . . . . . 352 E CB . 27915 1 437 . 1 . 1 120 120 GLU N N 15 121.1591 0.05 . 1 . . . . . 352 E N . 27915 1 438 . 1 . 1 121 121 ILE H H 1 7.7148 0.01 . 1 . . . . . 353 I HN . 27915 1 439 . 1 . 1 121 121 ILE CA C 13 62.7321 0.05 . 1 . . . . . 353 I CA . 27915 1 440 . 1 . 1 121 121 ILE CB C 13 39.1066 0.05 . 1 . . . . . 353 I CB . 27915 1 441 . 1 . 1 121 121 ILE N N 15 127.1542 0.05 . 1 . . . . . 353 I N . 27915 1 stop_ save_