################################### # 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 25393 _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 . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 25393 1 2 '3D HNCACB' . . . 25393 1 3 '3D CBCA(CO)NH' . . . 25393 1 4 '3D HN(CO)CA' . . . 25393 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 4 4 GLY H H 1 8.093 0.00 . 1 . . . . . 303 GLY H . 25393 1 2 . 1 . 1 4 4 GLY CA C 13 44.360 0.00 . 1 . . . . . 303 GLY CA . 25393 1 3 . 1 . 1 4 4 GLY N N 15 110.448 0.01 . 1 . . . . . 303 GLY N . 25393 1 4 . 1 . 1 5 5 PRO C C 13 176.828 0.02 . 1 . . . . . 304 PRO C . 25393 1 5 . 1 . 1 5 5 PRO CA C 13 62.771 0.01 . 1 . . . . . 304 PRO CA . 25393 1 6 . 1 . 1 5 5 PRO CB C 13 32.018 0.00 . 1 . . . . . 304 PRO CB . 25393 1 7 . 1 . 1 6 6 LYS H H 1 8.312 0.00 . 1 . . . . . 305 LYS H . 25393 1 8 . 1 . 1 6 6 LYS C C 13 174.606 0.00 . 1 . . . . . 305 LYS C . 25393 1 9 . 1 . 1 6 6 LYS CA C 13 54.141 0.00 . 1 . . . . . 305 LYS CA . 25393 1 10 . 1 . 1 6 6 LYS CB C 13 32.709 0.00 . 1 . . . . . 305 LYS CB . 25393 1 11 . 1 . 1 6 6 LYS N N 15 122.851 0.00 . 1 . . . . . 305 LYS N . 25393 1 12 . 1 . 1 7 7 PRO C C 13 176.948 0.00 . 1 . . . . . 306 PRO C . 25393 1 13 . 1 . 1 7 7 PRO CA C 13 63.117 0.01 . 1 . . . . . 306 PRO CA . 25393 1 14 . 1 . 1 7 7 PRO CB C 13 31.822 0.01 . 1 . . . . . 306 PRO CB . 25393 1 15 . 1 . 1 8 8 GLU H H 1 8.472 0.00 . 1 . . . . . 307 GLU H . 25393 1 16 . 1 . 1 8 8 GLU C C 13 176.403 0.00 . 1 . . . . . 307 GLU C . 25393 1 17 . 1 . 1 8 8 GLU CA C 13 56.497 0.05 . 1 . . . . . 307 GLU CA . 25393 1 18 . 1 . 1 8 8 GLU CB C 13 30.169 0.09 . 1 . . . . . 307 GLU CB . 25393 1 19 . 1 . 1 8 8 GLU N N 15 121.268 0.02 . 1 . . . . . 307 GLU N . 25393 1 20 . 1 . 1 9 9 ALA H H 1 8.248 0.00 . 1 . . . . . 308 ALA H . 25393 1 21 . 1 . 1 9 9 ALA C C 13 177.749 0.00 . 1 . . . . . 308 ALA C . 25393 1 22 . 1 . 1 9 9 ALA CA C 13 52.611 0.04 . 1 . . . . . 308 ALA CA . 25393 1 23 . 1 . 1 9 9 ALA CB C 13 19.056 0.04 . 1 . . . . . 308 ALA CB . 25393 1 24 . 1 . 1 9 9 ALA N N 15 125.211 0.02 . 1 . . . . . 308 ALA N . 25393 1 25 . 1 . 1 10 10 SER H H 1 8.080 0.00 . 1 . . . . . 309 SER H . 25393 1 26 . 1 . 1 10 10 SER C C 13 174.188 0.00 . 1 . . . . . 309 SER C . 25393 1 27 . 1 . 1 10 10 SER CA C 13 58.182 0.01 . 1 . . . . . 309 SER CA . 25393 1 28 . 1 . 1 10 10 SER CB C 13 63.600 0.03 . 1 . . . . . 309 SER CB . 25393 1 29 . 1 . 1 10 10 SER N N 15 114.591 0.03 . 1 . . . . . 309 SER N . 25393 1 30 . 1 . 1 11 11 ALA H H 1 8.079 0.00 . 1 . . . . . 310 ALA H . 25393 1 31 . 1 . 1 11 11 ALA C C 13 177.292 0.00 . 1 . . . . . 310 ALA C . 25393 1 32 . 1 . 1 11 11 ALA CA C 13 52.444 0.06 . 1 . . . . . 310 ALA CA . 25393 1 33 . 1 . 1 11 11 ALA CB C 13 19.193 0.05 . 1 . . . . . 310 ALA CB . 25393 1 34 . 1 . 1 11 11 ALA N N 15 125.744 0.02 . 1 . . . . . 310 ALA N . 25393 1 35 . 1 . 1 12 12 LYS H H 1 8.059 0.00 . 1 . . . . . 311 LYS H . 25393 1 36 . 1 . 1 12 12 LYS C C 13 176.165 0.01 . 1 . . . . . 311 LYS C . 25393 1 37 . 1 . 1 12 12 LYS CA C 13 55.799 0.03 . 1 . . . . . 311 LYS CA . 25393 1 38 . 1 . 1 12 12 LYS CB C 13 32.884 0.06 . 1 . . . . . 311 LYS CB . 25393 1 39 . 1 . 1 12 12 LYS N N 15 120.376 0.02 . 1 . . . . . 311 LYS N . 25393 1 40 . 1 . 1 13 13 LEU H H 1 8.118 0.00 . 1 . . . . . 312 LEU H . 25393 1 41 . 1 . 1 13 13 LEU C C 13 175.147 0.00 . 1 . . . . . 312 LEU C . 25393 1 42 . 1 . 1 13 13 LEU CA C 13 52.878 0.00 . 1 . . . . . 312 LEU CA . 25393 1 43 . 1 . 1 13 13 LEU CB C 13 41.591 0.00 . 1 . . . . . 312 LEU CB . 25393 1 44 . 1 . 1 13 13 LEU N N 15 125.026 0.01 . 1 . . . . . 312 LEU N . 25393 1 45 . 1 . 1 14 14 PRO C C 13 176.735 0.00 . 1 . . . . . 313 PRO C . 25393 1 46 . 1 . 1 14 14 PRO CA C 13 62.889 0.00 . 1 . . . . . 313 PRO CA . 25393 1 47 . 1 . 1 14 14 PRO CB C 13 31.927 0.00 . 1 . . . . . 313 PRO CB . 25393 1 48 . 1 . 1 15 15 SER H H 1 8.224 0.00 . 1 . . . . . 314 SER H . 25393 1 49 . 1 . 1 15 15 SER C C 13 173.970 0.02 . 1 . . . . . 314 SER C . 25393 1 50 . 1 . 1 15 15 SER CA C 13 58.147 0.04 . 1 . . . . . 314 SER CA . 25393 1 51 . 1 . 1 15 15 SER CB C 13 63.744 0.02 . 1 . . . . . 314 SER CB . 25393 1 52 . 1 . 1 15 15 SER N N 15 116.065 0.00 . 1 . . . . . 314 SER N . 25393 1 53 . 1 . 1 16 16 ARG H H 1 8.178 0.00 . 1 . . . . . 315 ARG H . 25393 1 54 . 1 . 1 16 16 ARG C C 13 174.032 0.00 . 1 . . . . . 315 ARG C . 25393 1 55 . 1 . 1 16 16 ARG CA C 13 53.693 0.00 . 1 . . . . . 315 ARG CA . 25393 1 56 . 1 . 1 16 16 ARG CB C 13 30.342 0.00 . 1 . . . . . 315 ARG CB . 25393 1 57 . 1 . 1 16 16 ARG N N 15 123.429 0.02 . 1 . . . . . 315 ARG N . 25393 1 58 . 1 . 1 17 17 PRO C C 13 176.577 0.01 . 1 . . . . . 316 PRO C . 25393 1 59 . 1 . 1 17 17 PRO CA C 13 63.112 0.03 . 1 . . . . . 316 PRO CA . 25393 1 60 . 1 . 1 17 17 PRO CB C 13 31.947 0.03 . 1 . . . . . 316 PRO CB . 25393 1 61 . 1 . 1 18 18 ALA H H 1 8.243 0.00 . 1 . . . . . 317 ALA H . 25393 1 62 . 1 . 1 18 18 ALA C C 13 177.412 0.00 . 1 . . . . . 317 ALA C . 25393 1 63 . 1 . 1 18 18 ALA CA C 13 52.455 0.06 . 1 . . . . . 317 ALA CA . 25393 1 64 . 1 . 1 18 18 ALA CB C 13 19.088 0.06 . 1 . . . . . 317 ALA CB . 25393 1 65 . 1 . 1 18 18 ALA N N 15 123.404 0.01 . 1 . . . . . 317 ALA N . 25393 1 66 . 1 . 1 19 19 ASP H H 1 8.034 0.00 . 1 . . . . . 318 ASP H . 25393 1 67 . 1 . 1 19 19 ASP C C 13 175.609 0.02 . 1 . . . . . 318 ASP C . 25393 1 68 . 1 . 1 19 19 ASP CA C 13 54.206 0.04 . 1 . . . . . 318 ASP CA . 25393 1 69 . 1 . 1 19 19 ASP CB C 13 41.065 0.06 . 1 . . . . . 318 ASP CB . 25393 1 70 . 1 . 1 19 19 ASP N N 15 118.685 0.01 . 1 . . . . . 318 ASP N . 25393 1 71 . 1 . 1 20 20 ASN H H 1 8.023 0.00 . 1 . . . . . 319 ASN H . 25393 1 72 . 1 . 1 20 20 ASN C C 13 174.733 0.02 . 1 . . . . . 319 ASN C . 25393 1 73 . 1 . 1 20 20 ASN CA C 13 53.000 0.11 . 1 . . . . . 319 ASN CA . 25393 1 74 . 1 . 1 20 20 ASN CB C 13 38.929 0.00 . 1 . . . . . 319 ASN CB . 25393 1 75 . 1 . 1 20 20 ASN N N 15 117.816 0.01 . 1 . . . . . 319 ASN N . 25393 1 76 . 1 . 1 21 21 TYR H H 1 8.033 0.00 . 1 . . . . . 320 TYR H . 25393 1 77 . 1 . 1 21 21 TYR C C 13 175.525 0.00 . 1 . . . . . 320 TYR C . 25393 1 78 . 1 . 1 21 21 TYR CA C 13 57.935 0.07 . 1 . . . . . 320 TYR CA . 25393 1 79 . 1 . 1 21 21 TYR CB C 13 38.151 0.41 . 1 . . . . . 320 TYR CB . 25393 1 80 . 1 . 1 21 21 TYR N N 15 120.501 0.03 . 1 . . . . . 320 TYR N . 25393 1 81 . 1 . 1 22 22 ASP H H 1 8.090 0.00 . 1 . . . . . 321 ASP H . 25393 1 82 . 1 . 1 22 22 ASP C C 13 175.638 0.01 . 1 . . . . . 321 ASP C . 25393 1 83 . 1 . 1 22 22 ASP CA C 13 54.374 0.07 . 1 . . . . . 321 ASP CA . 25393 1 84 . 1 . 1 22 22 ASP CB C 13 40.996 0.05 . 1 . . . . . 321 ASP CB . 25393 1 85 . 1 . 1 22 22 ASP N N 15 121.051 0.04 . 1 . . . . . 321 ASP N . 25393 1 86 . 1 . 1 23 23 ASN H H 1 8.018 0.00 . 1 . . . . . 322 ASN H . 25393 1 87 . 1 . 1 23 23 ASN C C 13 174.508 0.02 . 1 . . . . . 322 ASN C . 25393 1 88 . 1 . 1 23 23 ASN CA C 13 53.113 0.03 . 1 . . . . . 322 ASN CA . 25393 1 89 . 1 . 1 23 23 ASN CB C 13 38.670 0.07 . 1 . . . . . 322 ASN CB . 25393 1 90 . 1 . 1 23 23 ASN N N 15 118.032 0.04 . 1 . . . . . 322 ASN N . 25393 1 91 . 1 . 1 24 24 PHE H H 1 7.949 0.00 . 1 . . . . . 323 PHE H . 25393 1 92 . 1 . 1 24 24 PHE C C 13 175.052 0.00 . 1 . . . . . 323 PHE C . 25393 1 93 . 1 . 1 24 24 PHE CA C 13 57.736 0.03 . 1 . . . . . 323 PHE CA . 25393 1 94 . 1 . 1 24 24 PHE CB C 13 39.342 0.07 . 1 . . . . . 323 PHE CB . 25393 1 95 . 1 . 1 24 24 PHE N N 15 120.373 0.01 . 1 . . . . . 323 PHE N . 25393 1 96 . 1 . 1 25 25 VAL H H 1 7.752 0.00 . 1 . . . . . 324 VAL H . 25393 1 97 . 1 . 1 25 25 VAL C C 13 175.086 0.01 . 1 . . . . . 324 VAL C . 25393 1 98 . 1 . 1 25 25 VAL CA C 13 61.669 0.01 . 1 . . . . . 324 VAL CA . 25393 1 99 . 1 . 1 25 25 VAL CB C 13 32.936 0.05 . 1 . . . . . 324 VAL CB . 25393 1 100 . 1 . 1 25 25 VAL N N 15 122.933 0.01 . 1 . . . . . 324 VAL N . 25393 1 101 . 1 . 1 26 26 LEU H H 1 8.134 0.00 . 1 . . . . . 325 LEU H . 25393 1 102 . 1 . 1 26 26 LEU C C 13 175.046 0.00 . 1 . . . . . 325 LEU C . 25393 1 103 . 1 . 1 26 26 LEU CA C 13 52.821 0.00 . 1 . . . . . 325 LEU CA . 25393 1 104 . 1 . 1 26 26 LEU CB C 13 41.730 0.00 . 1 . . . . . 325 LEU CB . 25393 1 105 . 1 . 1 26 26 LEU N N 15 127.778 0.02 . 1 . . . . . 325 LEU N . 25393 1 106 . 1 . 1 27 27 PRO C C 13 176.445 0.00 . 1 . . . . . 326 PRO C . 25393 1 107 . 1 . 1 27 27 PRO CA C 13 62.745 0.00 . 1 . . . . . 326 PRO CA . 25393 1 108 . 1 . 1 27 27 PRO CB C 13 31.913 0.00 . 1 . . . . . 326 PRO CB . 25393 1 109 . 1 . 1 28 28 GLU H H 1 8.197 0.00 . 1 . . . . . 327 GLU H . 25393 1 110 . 1 . 1 28 28 GLU C C 13 176.046 0.00 . 1 . . . . . 327 GLU C . 25393 1 111 . 1 . 1 28 28 GLU CA C 13 56.089 0.03 . 1 . . . . . 327 GLU CA . 25393 1 112 . 1 . 1 28 28 GLU CB C 13 30.334 0.04 . 1 . . . . . 327 GLU CB . 25393 1 113 . 1 . 1 28 28 GLU N N 15 120.774 0.01 . 1 . . . . . 327 GLU N . 25393 1 114 . 1 . 1 29 29 LEU H H 1 8.193 0.00 . 1 . . . . . 328 LEU H . 25393 1 115 . 1 . 1 29 29 LEU C C 13 175.014 0.00 . 1 . . . . . 328 LEU C . 25393 1 116 . 1 . 1 29 29 LEU CA C 13 52.718 0.00 . 1 . . . . . 328 LEU CA . 25393 1 117 . 1 . 1 29 29 LEU CB C 13 41.762 0.00 . 1 . . . . . 328 LEU CB . 25393 1 118 . 1 . 1 29 29 LEU N N 15 125.004 0.02 . 1 . . . . . 328 LEU N . 25393 1 119 . 1 . 1 30 30 PRO C C 13 176.696 0.00 . 1 . . . . . 329 PRO C . 25393 1 120 . 1 . 1 30 30 PRO CA C 13 62.790 0.00 . 1 . . . . . 329 PRO CA . 25393 1 121 . 1 . 1 30 30 PRO CB C 13 32.006 0.05 . 1 . . . . . 329 PRO CB . 25393 1 122 . 1 . 1 31 31 SER H H 1 8.248 0.00 . 1 . . . . . 330 SER H . 25393 1 123 . 1 . 1 31 31 SER C C 13 174.120 0.00 . 1 . . . . . 330 SER C . 25393 1 124 . 1 . 1 31 31 SER CA C 13 57.978 0.02 . 1 . . . . . 330 SER CA . 25393 1 125 . 1 . 1 31 31 SER CB C 13 63.739 0.07 . 1 . . . . . 330 SER CB . 25393 1 126 . 1 . 1 31 31 SER N N 15 116.402 0.02 . 1 . . . . . 330 SER N . 25393 1 127 . 1 . 1 32 32 VAL H H 1 8.069 0.00 . 1 . . . . . 331 VAL H . 25393 1 128 . 1 . 1 32 32 VAL C C 13 174.377 0.00 . 1 . . . . . 331 VAL C . 25393 1 129 . 1 . 1 32 32 VAL CA C 13 59.678 0.00 . 1 . . . . . 331 VAL CA . 25393 1 130 . 1 . 1 32 32 VAL CB C 13 32.659 0.00 . 1 . . . . . 331 VAL CB . 25393 1 131 . 1 . 1 32 32 VAL N N 15 122.941 0.01 . 1 . . . . . 331 VAL N . 25393 1 132 . 1 . 1 33 33 PRO C C 13 176.479 0.00 . 1 . . . . . 332 PRO C . 25393 1 133 . 1 . 1 33 33 PRO CA C 13 63.038 0.00 . 1 . . . . . 332 PRO CA . 25393 1 134 . 1 . 1 33 33 PRO CB C 13 32.036 0.00 . 1 . . . . . 332 PRO CB . 25393 1 135 . 1 . 1 34 34 ASP H H 1 8.274 0.00 . 1 . . . . . 333 ASP H . 25393 1 136 . 1 . 1 34 34 ASP C C 13 176.254 0.01 . 1 . . . . . 333 ASP C . 25393 1 137 . 1 . 1 34 34 ASP CA C 13 54.448 0.03 . 1 . . . . . 333 ASP CA . 25393 1 138 . 1 . 1 34 34 ASP CB C 13 40.965 0.04 . 1 . . . . . 333 ASP CB . 25393 1 139 . 1 . 1 34 34 ASP N N 15 120.383 0.01 . 1 . . . . . 333 ASP N . 25393 1 140 . 1 . 1 35 35 THR H H 1 7.885 0.00 . 1 . . . . . 334 THR H . 25393 1 141 . 1 . 1 35 35 THR C C 13 174.136 0.00 . 1 . . . . . 334 THR C . 25393 1 142 . 1 . 1 35 35 THR CA C 13 61.477 0.01 . 1 . . . . . 334 THR CA . 25393 1 143 . 1 . 1 35 35 THR CB C 13 69.823 0.01 . 1 . . . . . 334 THR CB . 25393 1 144 . 1 . 1 35 35 THR N N 15 113.897 0.01 . 1 . . . . . 334 THR N . 25393 1 145 . 1 . 1 36 36 LEU H H 1 8.161 0.00 . 1 . . . . . 335 LEU H . 25393 1 146 . 1 . 1 36 36 LEU C C 13 175.302 0.00 . 1 . . . . . 335 LEU C . 25393 1 147 . 1 . 1 36 36 LEU CA C 13 52.996 0.00 . 1 . . . . . 335 LEU CA . 25393 1 148 . 1 . 1 36 36 LEU CB C 13 41.636 0.00 . 1 . . . . . 335 LEU CB . 25393 1 149 . 1 . 1 36 36 LEU N N 15 126.150 0.02 . 1 . . . . . 335 LEU N . 25393 1 150 . 1 . 1 37 37 PRO C C 13 177.031 0.01 . 1 . . . . . 336 PRO C . 25393 1 151 . 1 . 1 37 37 PRO CA C 13 63.042 0.00 . 1 . . . . . 336 PRO CA . 25393 1 152 . 1 . 1 37 37 PRO CB C 13 31.928 0.07 . 1 . . . . . 336 PRO CB . 25393 1 153 . 1 . 1 38 38 THR H H 1 7.993 0.00 . 1 . . . . . 337 THR H . 25393 1 154 . 1 . 1 38 38 THR C C 13 174.397 0.02 . 1 . . . . . 337 THR C . 25393 1 155 . 1 . 1 38 38 THR CA C 13 61.691 0.05 . 1 . . . . . 337 THR CA . 25393 1 156 . 1 . 1 38 38 THR CB C 13 69.670 0.01 . 1 . . . . . 337 THR CB . 25393 1 157 . 1 . 1 38 38 THR N N 15 114.044 0.02 . 1 . . . . . 337 THR N . 25393 1 158 . 1 . 1 39 39 ALA H H 1 8.194 0.01 . 1 . . . . . 338 ALA H . 25393 1 159 . 1 . 1 39 39 ALA C C 13 177.669 0.00 . 1 . . . . . 338 ALA C . 25393 1 160 . 1 . 1 39 39 ALA CA C 13 52.502 0.03 . 1 . . . . . 338 ALA CA . 25393 1 161 . 1 . 1 39 39 ALA CB C 13 19.119 0.01 . 1 . . . . . 338 ALA CB . 25393 1 162 . 1 . 1 39 39 ALA N N 15 126.344 0.04 . 1 . . . . . 338 ALA N . 25393 1 163 . 1 . 1 40 40 SER H H 1 8.139 0.00 . 1 . . . . . 339 SER H . 25393 1 164 . 1 . 1 40 40 SER C C 13 174.380 0.04 . 1 . . . . . 339 SER C . 25393 1 165 . 1 . 1 40 40 SER CA C 13 58.158 0.11 . 1 . . . . . 339 SER CA . 25393 1 166 . 1 . 1 40 40 SER CB C 13 63.696 0.02 . 1 . . . . . 339 SER CB . 25393 1 167 . 1 . 1 40 40 SER N N 15 115.072 0.06 . 1 . . . . . 339 SER N . 25393 1 168 . 1 . 1 41 41 ALA H H 1 8.214 0.00 . 1 . . . . . 340 ALA H . 25393 1 169 . 1 . 1 41 41 ALA C C 13 178.094 0.00 . 1 . . . . . 340 ALA C . 25393 1 170 . 1 . 1 41 41 ALA CA C 13 52.687 0.09 . 1 . . . . . 340 ALA CA . 25393 1 171 . 1 . 1 41 41 ALA CB C 13 19.108 0.07 . 1 . . . . . 340 ALA CB . 25393 1 172 . 1 . 1 41 41 ALA N N 15 126.135 0.04 . 1 . . . . . 340 ALA N . 25393 1 173 . 1 . 1 42 42 GLY H H 1 8.195 0.00 . 1 . . . . . 341 GLY H . 25393 1 174 . 1 . 1 42 42 GLY C C 13 173.750 0.00 . 1 . . . . . 341 GLY C . 25393 1 175 . 1 . 1 42 42 GLY CA C 13 45.054 0.04 . 1 . . . . . 341 GLY CA . 25393 1 176 . 1 . 1 42 42 GLY N N 15 108.017 0.01 . 1 . . . . . 341 GLY N . 25393 1 177 . 1 . 1 43 43 ALA H H 1 7.998 0.00 . 1 . . . . . 342 ALA H . 25393 1 178 . 1 . 1 43 43 ALA C C 13 177.820 0.00 . 1 . . . . . 342 ALA C . 25393 1 179 . 1 . 1 43 43 ALA CA C 13 52.347 0.02 . 1 . . . . . 342 ALA CA . 25393 1 180 . 1 . 1 43 43 ALA CB C 13 19.314 0.07 . 1 . . . . . 342 ALA CB . 25393 1 181 . 1 . 1 43 43 ALA N N 15 123.586 0.02 . 1 . . . . . 342 ALA N . 25393 1 182 . 1 . 1 44 44 SER H H 1 8.259 0.00 . 1 . . . . . 343 SER H . 25393 1 183 . 1 . 1 44 44 SER C C 13 174.855 0.00 . 1 . . . . . 343 SER C . 25393 1 184 . 1 . 1 44 44 SER CA C 13 58.158 0.03 . 1 . . . . . 343 SER CA . 25393 1 185 . 1 . 1 44 44 SER CB C 13 63.628 0.04 . 1 . . . . . 343 SER CB . 25393 1 186 . 1 . 1 44 44 SER N N 15 115.176 0.01 . 1 . . . . . 343 SER N . 25393 1 187 . 1 . 1 45 45 THR H H 1 8.092 0.00 . 1 . . . . . 344 THR H . 25393 1 188 . 1 . 1 45 45 THR C C 13 174.514 0.00 . 1 . . . . . 344 THR C . 25393 1 189 . 1 . 1 45 45 THR CA C 13 61.569 0.02 . 1 . . . . . 344 THR CA . 25393 1 190 . 1 . 1 45 45 THR CB C 13 69.620 0.01 . 1 . . . . . 344 THR CB . 25393 1 191 . 1 . 1 45 45 THR N N 15 115.515 0.01 . 1 . . . . . 344 THR N . 25393 1 192 . 1 . 1 46 46 SER H H 1 8.196 0.00 . 1 . . . . . 345 SER H . 25393 1 193 . 1 . 1 46 46 SER C C 13 174.074 0.01 . 1 . . . . . 345 SER C . 25393 1 194 . 1 . 1 46 46 SER CA C 13 58.147 0.01 . 1 . . . . . 345 SER CA . 25393 1 195 . 1 . 1 46 46 SER CB C 13 63.775 0.04 . 1 . . . . . 345 SER CB . 25393 1 196 . 1 . 1 46 46 SER N N 15 117.996 0.02 . 1 . . . . . 345 SER N . 25393 1 197 . 1 . 1 47 47 ALA H H 1 8.259 0.00 . 1 . . . . . 346 ALA H . 25393 1 198 . 1 . 1 47 47 ALA C C 13 177.649 0.01 . 1 . . . . . 346 ALA C . 25393 1 199 . 1 . 1 47 47 ALA CA C 13 52.447 0.00 . 1 . . . . . 346 ALA CA . 25393 1 200 . 1 . 1 47 47 ALA CB C 13 19.126 0.04 . 1 . . . . . 346 ALA CB . 25393 1 201 . 1 . 1 47 47 ALA N N 15 126.186 0.03 . 1 . . . . . 346 ALA N . 25393 1 202 . 1 . 1 48 48 SER H H 1 8.142 0.01 . 1 . . . . . 347 SER H . 25393 1 203 . 1 . 1 48 48 SER C C 13 174.470 0.01 . 1 . . . . . 347 SER C . 25393 1 204 . 1 . 1 48 48 SER CA C 13 58.452 0.00 . 1 . . . . . 347 SER CA . 25393 1 205 . 1 . 1 48 48 SER CB C 13 63.624 0.03 . 1 . . . . . 347 SER CB . 25393 1 206 . 1 . 1 48 48 SER N N 15 114.939 0.05 . 1 . . . . . 347 SER N . 25393 1 207 . 1 . 1 49 49 GLU H H 1 8.279 0.00 . 1 . . . . . 348 GLU H . 25393 1 208 . 1 . 1 49 49 GLU C C 13 175.932 0.01 . 1 . . . . . 348 GLU C . 25393 1 209 . 1 . 1 49 49 GLU CA C 13 56.458 0.01 . 1 . . . . . 348 GLU CA . 25393 1 210 . 1 . 1 49 49 GLU CB C 13 30.219 0.04 . 1 . . . . . 348 GLU CB . 25393 1 211 . 1 . 1 49 49 GLU N N 15 122.233 0.01 . 1 . . . . . 348 GLU N . 25393 1 212 . 1 . 1 50 50 ASP H H 1 8.182 0.00 . 1 . . . . . 349 ASP H . 25393 1 213 . 1 . 1 50 50 ASP C C 13 175.871 0.01 . 1 . . . . . 349 ASP C . 25393 1 214 . 1 . 1 50 50 ASP CA C 13 54.148 0.04 . 1 . . . . . 349 ASP CA . 25393 1 215 . 1 . 1 50 50 ASP CB C 13 40.931 0.00 . 1 . . . . . 349 ASP CB . 25393 1 216 . 1 . 1 50 50 ASP N N 15 121.251 0.02 . 1 . . . . . 349 ASP N . 25393 1 217 . 1 . 1 51 51 ILE H H 1 7.813 0.00 . 1 . . . . . 350 ILE H . 25393 1 218 . 1 . 1 51 51 ILE C C 13 175.414 0.00 . 1 . . . . . 350 ILE C . 25393 1 219 . 1 . 1 51 51 ILE CA C 13 60.976 0.01 . 1 . . . . . 350 ILE CA . 25393 1 220 . 1 . 1 51 51 ILE CB C 13 39.048 0.02 . 1 . . . . . 350 ILE CB . 25393 1 221 . 1 . 1 51 51 ILE N N 15 120.559 0.01 . 1 . . . . . 350 ILE N . 25393 1 222 . 1 . 1 52 52 ASP H H 1 8.192 0.00 . 1 . . . . . 351 ASP H . 25393 1 223 . 1 . 1 52 52 ASP C C 13 176.059 0.00 . 1 . . . . . 351 ASP C . 25393 1 224 . 1 . 1 52 52 ASP CA C 13 53.739 0.04 . 1 . . . . . 351 ASP CA . 25393 1 225 . 1 . 1 52 52 ASP CB C 13 41.056 0.06 . 1 . . . . . 351 ASP CB . 25393 1 226 . 1 . 1 52 52 ASP N N 15 123.904 0.01 . 1 . . . . . 351 ASP N . 25393 1 227 . 1 . 1 53 53 PHE H H 1 8.066 0.00 . 1 . . . . . 352 PHE H . 25393 1 228 . 1 . 1 53 53 PHE C C 13 175.980 0.00 . 1 . . . . . 352 PHE C . 25393 1 229 . 1 . 1 53 53 PHE CA C 13 58.953 0.04 . 1 . . . . . 352 PHE CA . 25393 1 230 . 1 . 1 53 53 PHE CB C 13 39.367 0.03 . 1 . . . . . 352 PHE CB . 25393 1 231 . 1 . 1 53 53 PHE N N 15 121.823 0.00 . 1 . . . . . 352 PHE N . 25393 1 232 . 1 . 1 54 54 ASP H H 1 8.193 0.00 . 1 . . . . . 353 ASP H . 25393 1 233 . 1 . 1 54 54 ASP C C 13 176.244 0.00 . 1 . . . . . 353 ASP C . 25393 1 234 . 1 . 1 54 54 ASP CA C 13 54.825 0.00 . 1 . . . . . 353 ASP CA . 25393 1 235 . 1 . 1 54 54 ASP CB C 13 40.927 0.03 . 1 . . . . . 353 ASP CB . 25393 1 236 . 1 . 1 54 54 ASP N N 15 121.252 0.02 . 1 . . . . . 353 ASP N . 25393 1 237 . 1 . 1 55 55 ASP H H 1 7.898 0.00 . 1 . . . . . 354 ASP H . 25393 1 238 . 1 . 1 55 55 ASP C C 13 177.285 0.00 . 1 . . . . . 354 ASP C . 25393 1 239 . 1 . 1 55 55 ASP CA C 13 55.094 0.02 . 1 . . . . . 354 ASP CA . 25393 1 240 . 1 . 1 55 55 ASP CB C 13 41.160 0.02 . 1 . . . . . 354 ASP CB . 25393 1 241 . 1 . 1 55 55 ASP N N 15 120.815 0.01 . 1 . . . . . 354 ASP N . 25393 1 242 . 1 . 1 56 56 LEU H H 1 8.116 0.00 . 1 . . . . . 355 LEU H . 25393 1 243 . 1 . 1 56 56 LEU C C 13 178.681 0.00 . 1 . . . . . 355 LEU C . 25393 1 244 . 1 . 1 56 56 LEU CA C 13 56.945 0.04 . 1 . . . . . 355 LEU CA . 25393 1 245 . 1 . 1 56 56 LEU CB C 13 41.472 0.05 . 1 . . . . . 355 LEU CB . 25393 1 246 . 1 . 1 56 56 LEU N N 15 121.894 0.02 . 1 . . . . . 355 LEU N . 25393 1 247 . 1 . 1 57 57 SER H H 1 8.113 0.00 . 1 . . . . . 356 SER H . 25393 1 248 . 1 . 1 57 57 SER C C 13 175.675 0.01 . 1 . . . . . 356 SER C . 25393 1 249 . 1 . 1 57 57 SER CA C 13 60.356 0.02 . 1 . . . . . 356 SER CA . 25393 1 250 . 1 . 1 57 57 SER CB C 13 62.965 0.01 . 1 . . . . . 356 SER CB . 25393 1 251 . 1 . 1 57 57 SER N N 15 114.629 0.01 . 1 . . . . . 356 SER N . 25393 1 252 . 1 . 1 58 58 ARG H H 1 7.734 0.00 . 1 . . . . . 357 ARG H . 25393 1 253 . 1 . 1 58 58 ARG C C 13 177.159 0.00 . 1 . . . . . 357 ARG C . 25393 1 254 . 1 . 1 58 58 ARG CA C 13 57.245 0.00 . 1 . . . . . 357 ARG CA . 25393 1 255 . 1 . 1 58 58 ARG CB C 13 30.051 0.04 . 1 . . . . . 357 ARG CB . 25393 1 256 . 1 . 1 58 58 ARG N N 15 121.415 0.01 . 1 . . . . . 357 ARG N . 25393 1 257 . 1 . 1 59 59 ARG H H 1 7.810 0.00 . 1 . . . . . 358 ARG H . 25393 1 258 . 1 . 1 59 59 ARG C C 13 177.021 0.02 . 1 . . . . . 358 ARG C . 25393 1 259 . 1 . 1 59 59 ARG CA C 13 57.276 0.06 . 1 . . . . . 358 ARG CA . 25393 1 260 . 1 . 1 59 59 ARG CB C 13 30.264 0.04 . 1 . . . . . 358 ARG CB . 25393 1 261 . 1 . 1 59 59 ARG N N 15 119.823 0.01 . 1 . . . . . 358 ARG N . 25393 1 262 . 1 . 1 60 60 PHE H H 1 7.991 0.00 . 1 . . . . . 359 PHE H . 25393 1 263 . 1 . 1 60 60 PHE C C 13 176.638 0.00 . 1 . . . . . 359 PHE C . 25393 1 264 . 1 . 1 60 60 PHE CA C 13 58.769 0.04 . 1 . . . . . 359 PHE CA . 25393 1 265 . 1 . 1 60 60 PHE CB C 13 38.811 0.11 . 1 . . . . . 359 PHE CB . 25393 1 266 . 1 . 1 60 60 PHE N N 15 119.678 0.02 . 1 . . . . . 359 PHE N . 25393 1 267 . 1 . 1 61 61 GLU H H 1 8.041 0.00 . 1 . . . . . 360 GLU H . 25393 1 268 . 1 . 1 61 61 GLU C C 13 177.289 0.00 . 1 . . . . . 360 GLU C . 25393 1 269 . 1 . 1 61 61 GLU CA C 13 57.526 0.05 . 1 . . . . . 360 GLU CA . 25393 1 270 . 1 . 1 61 61 GLU CB C 13 29.890 0.05 . 1 . . . . . 360 GLU CB . 25393 1 271 . 1 . 1 61 61 GLU N N 15 120.687 0.05 . 1 . . . . . 360 GLU N . 25393 1 272 . 1 . 1 62 62 GLU H H 1 8.108 0.00 . 1 . . . . . 361 GLU H . 25393 1 273 . 1 . 1 62 62 GLU C C 13 177.251 0.00 . 1 . . . . . 361 GLU C . 25393 1 274 . 1 . 1 62 62 GLU CA C 13 57.196 0.00 . 1 . . . . . 361 GLU CA . 25393 1 275 . 1 . 1 62 62 GLU CB C 13 29.863 0.06 . 1 . . . . . 361 GLU CB . 25393 1 276 . 1 . 1 62 62 GLU N N 15 120.376 0.00 . 1 . . . . . 361 GLU N . 25393 1 277 . 1 . 1 63 63 LEU H H 1 7.863 0.00 . 1 . . . . . 362 LEU H . 25393 1 278 . 1 . 1 63 63 LEU C C 13 177.735 0.00 . 1 . . . . . 362 LEU C . 25393 1 279 . 1 . 1 63 63 LEU CA C 13 55.676 0.02 . 1 . . . . . 362 LEU CA . 25393 1 280 . 1 . 1 63 63 LEU CB C 13 42.015 0.00 . 1 . . . . . 362 LEU CB . 25393 1 281 . 1 . 1 63 63 LEU N N 15 121.298 0.01 . 1 . . . . . 362 LEU N . 25393 1 282 . 1 . 1 64 64 LYS H H 1 7.796 0.00 . 1 . . . . . 363 LYS H . 25393 1 283 . 1 . 1 64 64 LYS C C 13 176.538 0.00 . 1 . . . . . 363 LYS C . 25393 1 284 . 1 . 1 64 64 LYS CA C 13 56.404 0.01 . 1 . . . . . 363 LYS CA . 25393 1 285 . 1 . 1 64 64 LYS CB C 13 32.617 0.04 . 1 . . . . . 363 LYS CB . 25393 1 286 . 1 . 1 64 64 LYS N N 15 120.546 0.02 . 1 . . . . . 363 LYS N . 25393 1 287 . 1 . 1 65 65 LYS H H 1 7.881 0.00 . 1 . . . . . 364 LYS H . 25393 1 288 . 1 . 1 65 65 LYS C C 13 176.292 0.00 . 1 . . . . . 364 LYS C . 25393 1 289 . 1 . 1 65 65 LYS CA C 13 56.288 0.00 . 1 . . . . . 364 LYS CA . 25393 1 290 . 1 . 1 65 65 LYS CB C 13 32.909 0.01 . 1 . . . . . 364 LYS CB . 25393 1 291 . 1 . 1 65 65 LYS N N 15 121.470 0.02 . 1 . . . . . 364 LYS N . 25393 1 292 . 1 . 1 66 66 LYS H H 1 8.136 0.00 . 1 . . . . . 365 LYS H . 25393 1 293 . 1 . 1 66 66 LYS C C 13 175.844 0.00 . 1 . . . . . 365 LYS C . 25393 1 294 . 1 . 1 66 66 LYS CA C 13 56.293 0.04 . 1 . . . . . 365 LYS CA . 25393 1 295 . 1 . 1 66 66 LYS CB C 13 32.966 0.06 . 1 . . . . . 365 LYS CB . 25393 1 296 . 1 . 1 66 66 LYS N N 15 123.142 0.02 . 1 . . . . . 365 LYS N . 25393 1 297 . 1 . 1 67 67 THR H H 1 7.645 0.00 . 1 . . . . . 366 THR H . 25393 1 298 . 1 . 1 67 67 THR C C 13 179.060 0.00 . 1 . . . . . 366 THR C . 25393 1 299 . 1 . 1 67 67 THR CA C 13 63.062 0.00 . 1 . . . . . 366 THR CA . 25393 1 300 . 1 . 1 67 67 THR CB C 13 70.534 0.00 . 1 . . . . . 366 THR CB . 25393 1 301 . 1 . 1 67 67 THR N N 15 120.736 0.01 . 1 . . . . . 366 THR N . 25393 1 stop_ save_