################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 52025 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'RRM2 of CP29A' _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _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' . . . 52025 1 2 '2D 1H-13C HSQC' . . . 52025 1 3 '3D HNCACB' . . . 52025 1 4 '3D CBCA(CO)NH' . . . 52025 1 5 '3D HNCO' . . . 52025 1 6 '3D HN(CA)CO' . . . 52025 1 7 '3D H(CCO)NH' . . . 52025 1 8 '3D (H)CCH-TOCSY' . . . 52025 1 9 '3D 1H-15N NOESY' . . . 52025 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 $software_1 . . 52025 1 2 $software_2 . . 52025 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 3 3 GLY H H 1 8.254 0.005 . 1 . . . . . 256 GLY H . 52025 1 2 . 1 . 1 3 3 GLY N N 15 109.260 0.028 . 1 . . . . . 256 GLY N . 52025 1 3 . 1 . 1 4 4 ASN H H 1 8.400 0.003 . 1 . . . . . 257 ASN H . 52025 1 4 . 1 . 1 4 4 ASN N N 15 115.770 0.037 . 1 . . . . . 257 ASN N . 52025 1 5 . 1 . 1 5 5 ARG H H 1 7.741 0.003 . 1 . . . . . 258 ARG H . 52025 1 6 . 1 . 1 5 5 ARG C C 13 175.649 0.000 . 1 . . . . . 258 ARG C . 52025 1 7 . 1 . 1 5 5 ARG CA C 13 55.729 0.000 . 1 . . . . . 258 ARG CA . 52025 1 8 . 1 . 1 5 5 ARG CB C 13 33.587 0.000 . 1 . . . . . 258 ARG CB . 52025 1 9 . 1 . 1 5 5 ARG N N 15 119.012 0.016 . 1 . . . . . 258 ARG N . 52025 1 10 . 1 . 1 6 6 LEU H H 1 9.623 0.059 . 1 . . . . . 259 LEU H . 52025 1 11 . 1 . 1 6 6 LEU C C 13 175.770 0.000 . 1 . . . . . 259 LEU C . 52025 1 12 . 1 . 1 6 6 LEU CA C 13 53.790 0.000 . 1 . . . . . 259 LEU CA . 52025 1 13 . 1 . 1 6 6 LEU CB C 13 44.344 0.000 . 1 . . . . . 259 LEU CB . 52025 1 14 . 1 . 1 6 6 LEU N N 15 125.982 0.406 . 1 . . . . . 259 LEU N . 52025 1 15 . 1 . 1 7 7 TYR H H 1 9.147 0.008 . 1 . . . . . 260 TYR H . 52025 1 16 . 1 . 1 7 7 TYR C C 13 173.260 0.000 . 1 . . . . . 260 TYR C . 52025 1 17 . 1 . 1 7 7 TYR CA C 13 57.530 0.000 . 1 . . . . . 260 TYR CA . 52025 1 18 . 1 . 1 7 7 TYR CB C 13 40.359 0.000 . 1 . . . . . 260 TYR CB . 52025 1 19 . 1 . 1 7 7 TYR N N 15 123.992 0.148 . 1 . . . . . 260 TYR N . 52025 1 20 . 1 . 1 8 8 VAL H H 1 7.887 0.017 . 1 . . . . . 261 VAL H . 52025 1 21 . 1 . 1 8 8 VAL C C 13 173.989 0.000 . 1 . . . . . 261 VAL C . 52025 1 22 . 1 . 1 8 8 VAL CA C 13 59.930 0.000 . 1 . . . . . 261 VAL CA . 52025 1 23 . 1 . 1 8 8 VAL CB C 13 32.895 0.000 . 1 . . . . . 261 VAL CB . 52025 1 24 . 1 . 1 8 8 VAL N N 15 126.671 0.083 . 1 . . . . . 261 VAL N . 52025 1 25 . 1 . 1 9 9 GLY H H 1 9.194 0.021 . 1 . . . . . 262 GLY H . 52025 1 26 . 1 . 1 9 9 GLY C C 13 173.998 0.000 . 1 . . . . . 262 GLY C . 52025 1 27 . 1 . 1 9 9 GLY CA C 13 43.167 0.000 . 1 . . . . . 262 GLY CA . 52025 1 28 . 1 . 1 9 9 GLY N N 15 111.359 0.041 . 1 . . . . . 262 GLY N . 52025 1 29 . 1 . 1 10 10 ASN H H 1 8.448 0.005 . 1 . . . . . 263 ASN H . 52025 1 30 . 1 . 1 10 10 ASN C C 13 174.172 0.000 . 1 . . . . . 263 ASN C . 52025 1 31 . 1 . 1 10 10 ASN CA C 13 53.063 0.000 . 1 . . . . . 263 ASN CA . 52025 1 32 . 1 . 1 10 10 ASN CB C 13 37.857 0.000 . 1 . . . . . 263 ASN CB . 52025 1 33 . 1 . 1 10 10 ASN N N 15 115.523 0.174 . 1 . . . . . 263 ASN N . 52025 1 34 . 1 . 1 11 11 LEU H H 1 7.754 0.023 . 1 . . . . . 264 LEU H . 52025 1 35 . 1 . 1 11 11 LEU C C 13 178.171 0.000 . 1 . . . . . 264 LEU C . 52025 1 36 . 1 . 1 11 11 LEU CA C 13 53.506 0.000 . 1 . . . . . 264 LEU CA . 52025 1 37 . 1 . 1 11 11 LEU CB C 13 42.982 0.000 . 1 . . . . . 264 LEU CB . 52025 1 38 . 1 . 1 11 11 LEU N N 15 113.631 0.064 . 1 . . . . . 264 LEU N . 52025 1 39 . 1 . 1 12 12 SER H H 1 8.379 0.012 . 1 . . . . . 265 SER H . 52025 1 40 . 1 . 1 12 12 SER C C 13 175.796 0.000 . 1 . . . . . 265 SER C . 52025 1 41 . 1 . 1 12 12 SER CA C 13 57.595 0.000 . 1 . . . . . 265 SER CA . 52025 1 42 . 1 . 1 12 12 SER CB C 13 63.719 0.000 . 1 . . . . . 265 SER CB . 52025 1 43 . 1 . 1 12 12 SER N N 15 118.061 0.040 . 1 . . . . . 265 SER N . 52025 1 44 . 1 . 1 13 13 TRP H H 1 8.188 0.020 . 1 . . . . . 266 TRP H . 52025 1 45 . 1 . 1 13 13 TRP C C 13 176.676 0.000 . 1 . . . . . 266 TRP C . 52025 1 46 . 1 . 1 13 13 TRP CA C 13 58.662 0.000 . 1 . . . . . 266 TRP CA . 52025 1 47 . 1 . 1 13 13 TRP CB C 13 28.515 0.000 . 1 . . . . . 266 TRP CB . 52025 1 48 . 1 . 1 13 13 TRP N N 15 122.889 0.133 . 1 . . . . . 266 TRP N . 52025 1 49 . 1 . 1 14 14 GLY H H 1 7.987 0.005 . 1 . . . . . 267 GLY H . 52025 1 50 . 1 . 1 14 14 GLY C C 13 174.673 0.006 . 1 . . . . . 267 GLY C . 52025 1 51 . 1 . 1 14 14 GLY CA C 13 45.093 0.000 . 1 . . . . . 267 GLY CA . 52025 1 52 . 1 . 1 14 14 GLY N N 15 105.486 0.162 . 1 . . . . . 267 GLY N . 52025 1 53 . 1 . 1 15 15 VAL H H 1 7.081 0.024 . 1 . . . . . 268 VAL H . 52025 1 54 . 1 . 1 15 15 VAL C C 13 174.257 0.000 . 1 . . . . . 268 VAL C . 52025 1 55 . 1 . 1 15 15 VAL CA C 13 64.554 0.000 . 1 . . . . . 268 VAL CA . 52025 1 56 . 1 . 1 15 15 VAL CB C 13 31.220 0.000 . 1 . . . . . 268 VAL CB . 52025 1 57 . 1 . 1 15 15 VAL N N 15 121.951 0.053 . 1 . . . . . 268 VAL N . 52025 1 58 . 1 . 1 16 16 ASP H H 1 7.449 0.007 . 1 . . . . . 269 ASP H . 52025 1 59 . 1 . 1 16 16 ASP C C 13 175.341 0.000 . 1 . . . . . 269 ASP C . 52025 1 60 . 1 . 1 16 16 ASP CA C 13 51.569 0.000 . 1 . . . . . 269 ASP CA . 52025 1 61 . 1 . 1 16 16 ASP CB C 13 42.753 0.000 . 1 . . . . . 269 ASP CB . 52025 1 62 . 1 . 1 16 16 ASP N N 15 128.670 0.048 . 1 . . . . . 269 ASP N . 52025 1 63 . 1 . 1 17 17 ASP H H 1 8.101 0.006 . 1 . . . . . 270 ASP H . 52025 1 64 . 1 . 1 17 17 ASP C C 13 178.357 0.000 . 1 . . . . . 270 ASP C . 52025 1 65 . 1 . 1 17 17 ASP CA C 13 58.262 0.000 . 1 . . . . . 270 ASP CA . 52025 1 66 . 1 . 1 17 17 ASP CB C 13 40.084 0.000 . 1 . . . . . 270 ASP CB . 52025 1 67 . 1 . 1 17 17 ASP N N 15 118.592 0.028 . 1 . . . . . 270 ASP N . 52025 1 68 . 1 . 1 18 18 MET H H 1 7.799 0.002 . 1 . . . . . 271 MET H . 52025 1 69 . 1 . 1 18 18 MET C C 13 177.937 0.000 . 1 . . . . . 271 MET C . 52025 1 70 . 1 . 1 18 18 MET CA C 13 58.072 0.000 . 1 . . . . . 271 MET CA . 52025 1 71 . 1 . 1 18 18 MET CB C 13 31.388 0.000 . 1 . . . . . 271 MET CB . 52025 1 72 . 1 . 1 18 18 MET N N 15 117.802 0.031 . 1 . . . . . 271 MET N . 52025 1 73 . 1 . 1 19 19 ALA H H 1 8.106 0.008 . 1 . . . . . 272 ALA H . 52025 1 74 . 1 . 1 19 19 ALA C C 13 181.337 0.000 . 1 . . . . . 272 ALA C . 52025 1 75 . 1 . 1 19 19 ALA CA C 13 55.205 0.000 . 1 . . . . . 272 ALA CA . 52025 1 76 . 1 . 1 19 19 ALA CB C 13 18.643 0.000 . 1 . . . . . 272 ALA CB . 52025 1 77 . 1 . 1 19 19 ALA N N 15 122.640 0.053 . 1 . . . . . 272 ALA N . 52025 1 78 . 1 . 1 20 20 LEU H H 1 7.885 0.010 . 1 . . . . . 273 LEU H . 52025 1 79 . 1 . 1 20 20 LEU C C 13 178.120 0.000 . 1 . . . . . 273 LEU C . 52025 1 80 . 1 . 1 20 20 LEU CA C 13 57.831 0.000 . 1 . . . . . 273 LEU CA . 52025 1 81 . 1 . 1 20 20 LEU CB C 13 42.385 0.000 . 1 . . . . . 273 LEU CB . 52025 1 82 . 1 . 1 20 20 LEU N N 15 117.906 0.068 . 1 . . . . . 273 LEU N . 52025 1 83 . 1 . 1 21 21 GLU H H 1 8.374 0.003 . 1 . . . . . 274 GLU H . 52025 1 84 . 1 . 1 21 21 GLU C C 13 177.972 0.000 . 1 . . . . . 274 GLU C . 52025 1 85 . 1 . 1 21 21 GLU CA C 13 60.401 0.000 . 1 . . . . . 274 GLU CA . 52025 1 86 . 1 . 1 21 21 GLU CB C 13 29.579 0.000 . 1 . . . . . 274 GLU CB . 52025 1 87 . 1 . 1 21 21 GLU N N 15 120.179 0.082 . 1 . . . . . 274 GLU N . 52025 1 88 . 1 . 1 22 22 ASN H H 1 8.426 0.019 . 1 . . . . . 275 ASN H . 52025 1 89 . 1 . 1 22 22 ASN C C 13 177.745 0.000 . 1 . . . . . 275 ASN C . 52025 1 90 . 1 . 1 22 22 ASN CA C 13 55.722 0.000 . 1 . . . . . 275 ASN CA . 52025 1 91 . 1 . 1 22 22 ASN CB C 13 38.205 0.000 . 1 . . . . . 275 ASN CB . 52025 1 92 . 1 . 1 22 22 ASN N N 15 115.169 0.134 . 1 . . . . . 275 ASN N . 52025 1 93 . 1 . 1 23 23 LEU H H 1 7.584 0.007 . 1 . . . . . 276 LEU H . 52025 1 94 . 1 . 1 23 23 LEU C C 13 178.505 0.000 . 1 . . . . . 276 LEU C . 52025 1 95 . 1 . 1 23 23 LEU CA C 13 57.778 0.000 . 1 . . . . . 276 LEU CA . 52025 1 96 . 1 . 1 23 23 LEU CB C 13 42.563 0.000 . 1 . . . . . 276 LEU CB . 52025 1 97 . 1 . 1 23 23 LEU N N 15 119.665 0.055 . 1 . . . . . 276 LEU N . 52025 1 98 . 1 . 1 24 24 PHE H H 1 7.961 0.006 . 1 . . . . . 277 PHE H . 52025 1 99 . 1 . 1 24 24 PHE C C 13 177.405 0.000 . 1 . . . . . 277 PHE C . 52025 1 100 . 1 . 1 24 24 PHE CA C 13 61.755 0.000 . 1 . . . . . 277 PHE CA . 52025 1 101 . 1 . 1 24 24 PHE CB C 13 39.735 0.000 . 1 . . . . . 277 PHE CB . 52025 1 102 . 1 . 1 24 24 PHE N N 15 114.215 0.031 . 1 . . . . . 277 PHE N . 52025 1 103 . 1 . 1 25 25 ASN H H 1 8.180 0.003 . 1 . . . . . 278 ASN H . 52025 1 104 . 1 . 1 25 25 ASN C C 13 176.948 0.000 . 1 . . . . . 278 ASN C . 52025 1 105 . 1 . 1 25 25 ASN CA C 13 54.852 0.000 . 1 . . . . . 278 ASN CA . 52025 1 106 . 1 . 1 25 25 ASN CB C 13 38.838 0.000 . 1 . . . . . 278 ASN CB . 52025 1 107 . 1 . 1 25 25 ASN N N 15 120.099 0.072 . 1 . . . . . 278 ASN N . 52025 1 108 . 1 . 1 26 26 GLU H H 1 7.407 0.007 . 1 . . . . . 279 GLU H . 52025 1 109 . 1 . 1 26 26 GLU C C 13 177.488 0.000 . 1 . . . . . 279 GLU C . 52025 1 110 . 1 . 1 26 26 GLU CA C 13 57.903 0.000 . 1 . . . . . 279 GLU CA . 52025 1 111 . 1 . 1 26 26 GLU CB C 13 29.907 0.000 . 1 . . . . . 279 GLU CB . 52025 1 112 . 1 . 1 26 26 GLU N N 15 116.110 0.062 . 1 . . . . . 279 GLU N . 52025 1 113 . 1 . 1 27 27 GLN H H 1 7.749 0.004 . 1 . . . . . 280 GLN H . 52025 1 114 . 1 . 1 27 27 GLN C C 13 174.985 0.000 . 1 . . . . . 280 GLN C . 52025 1 115 . 1 . 1 27 27 GLN CA C 13 54.580 0.000 . 1 . . . . . 280 GLN CA . 52025 1 116 . 1 . 1 27 27 GLN CB C 13 29.469 0.000 . 1 . . . . . 280 GLN CB . 52025 1 117 . 1 . 1 27 27 GLN N N 15 114.382 0.051 . 1 . . . . . 280 GLN N . 52025 1 118 . 1 . 1 28 28 GLY H H 1 7.504 0.011 . 1 . . . . . 281 GLY H . 52025 1 119 . 1 . 1 28 28 GLY C C 13 170.169 0.000 . 1 . . . . . 281 GLY C . 52025 1 120 . 1 . 1 28 28 GLY CA C 13 44.890 0.000 . 1 . . . . . 281 GLY CA . 52025 1 121 . 1 . 1 28 28 GLY N N 15 105.514 0.080 . 1 . . . . . 281 GLY N . 52025 1 122 . 1 . 1 29 29 LYS H H 1 8.611 0.003 . 1 . . . . . 282 LYS H . 52025 1 123 . 1 . 1 29 29 LYS C C 13 175.676 0.000 . 1 . . . . . 282 LYS C . 52025 1 124 . 1 . 1 29 29 LYS CA C 13 55.501 0.000 . 1 . . . . . 282 LYS CA . 52025 1 125 . 1 . 1 29 29 LYS CB C 13 32.092 0.000 . 1 . . . . . 282 LYS CB . 52025 1 126 . 1 . 1 29 29 LYS N N 15 121.570 0.037 . 1 . . . . . 282 LYS N . 52025 1 127 . 1 . 1 30 30 VAL H H 1 8.689 0.003 . 1 . . . . . 283 VAL H . 52025 1 128 . 1 . 1 30 30 VAL C C 13 176.600 0.000 . 1 . . . . . 283 VAL C . 52025 1 129 . 1 . 1 30 30 VAL CA C 13 63.650 0.000 . 1 . . . . . 283 VAL CA . 52025 1 130 . 1 . 1 30 30 VAL CB C 13 32.142 0.000 . 1 . . . . . 283 VAL CB . 52025 1 131 . 1 . 1 30 30 VAL N N 15 127.286 0.050 . 1 . . . . . 283 VAL N . 52025 1 132 . 1 . 1 31 31 VAL H H 1 8.892 0.008 . 1 . . . . . 284 VAL H . 52025 1 133 . 1 . 1 31 31 VAL C C 13 175.937 0.000 . 1 . . . . . 284 VAL C . 52025 1 134 . 1 . 1 31 31 VAL CA C 13 63.832 0.000 . 1 . . . . . 284 VAL CA . 52025 1 135 . 1 . 1 31 31 VAL CB C 13 32.493 0.000 . 1 . . . . . 284 VAL CB . 52025 1 136 . 1 . 1 31 31 VAL N N 15 129.295 0.143 . 1 . . . . . 284 VAL N . 52025 1 137 . 1 . 1 32 32 GLU H H 1 7.279 0.005 . 1 . . . . . 285 GLU H . 52025 1 138 . 1 . 1 32 32 GLU C C 13 173.341 0.000 . 1 . . . . . 285 GLU C . 52025 1 139 . 1 . 1 32 32 GLU CA C 13 55.929 0.000 . 1 . . . . . 285 GLU CA . 52025 1 140 . 1 . 1 32 32 GLU CB C 13 33.333 0.000 . 1 . . . . . 285 GLU CB . 52025 1 141 . 1 . 1 32 32 GLU N N 15 117.639 0.080 . 1 . . . . . 285 GLU N . 52025 1 142 . 1 . 1 33 33 ALA H H 1 8.697 0.002 . 1 . . . . . 286 ALA H . 52025 1 143 . 1 . 1 33 33 ALA C C 13 174.462 0.000 . 1 . . . . . 286 ALA C . 52025 1 144 . 1 . 1 33 33 ALA CA C 13 51.656 0.000 . 1 . . . . . 286 ALA CA . 52025 1 145 . 1 . 1 33 33 ALA CB C 13 21.586 0.000 . 1 . . . . . 286 ALA CB . 52025 1 146 . 1 . 1 33 33 ALA N N 15 128.752 0.041 . 1 . . . . . 286 ALA N . 52025 1 147 . 1 . 1 34 34 ARG H H 1 8.536 0.007 . 1 . . . . . 287 ARG H . 52025 1 148 . 1 . 1 34 34 ARG C C 13 174.315 0.000 . 1 . . . . . 287 ARG C . 52025 1 149 . 1 . 1 34 34 ARG CA C 13 53.794 0.000 . 1 . . . . . 287 ARG CA . 52025 1 150 . 1 . 1 34 34 ARG CB C 13 33.817 0.000 . 1 . . . . . 287 ARG CB . 52025 1 151 . 1 . 1 34 34 ARG N N 15 120.173 0.052 . 1 . . . . . 287 ARG N . 52025 1 152 . 1 . 1 35 35 VAL H H 1 8.758 0.005 . 1 . . . . . 288 VAL H . 52025 1 153 . 1 . 1 35 35 VAL C C 13 174.698 0.000 . 1 . . . . . 288 VAL C . 52025 1 154 . 1 . 1 35 35 VAL CA C 13 63.420 0.000 . 1 . . . . . 288 VAL CA . 52025 1 155 . 1 . 1 35 35 VAL CB C 13 33.046 0.000 . 1 . . . . . 288 VAL CB . 52025 1 156 . 1 . 1 35 35 VAL N N 15 126.224 0.019 . 1 . . . . . 288 VAL N . 52025 1 157 . 1 . 1 36 36 ILE H H 1 7.889 0.027 . 1 . . . . . 289 ILE H . 52025 1 158 . 1 . 1 36 36 ILE C C 13 173.863 0.000 . 1 . . . . . 289 ILE C . 52025 1 159 . 1 . 1 36 36 ILE CA C 13 58.174 0.000 . 1 . . . . . 289 ILE CA . 52025 1 160 . 1 . 1 36 36 ILE CB C 13 33.939 0.000 . 1 . . . . . 289 ILE CB . 52025 1 161 . 1 . 1 36 36 ILE N N 15 126.709 0.097 . 1 . . . . . 289 ILE N . 52025 1 162 . 1 . 1 37 37 TYR H H 1 8.240 0.006 . 1 . . . . . 290 TYR H . 52025 1 163 . 1 . 1 37 37 TYR C C 13 175.971 0.000 . 1 . . . . . 290 TYR C . 52025 1 164 . 1 . 1 37 37 TYR CA C 13 57.673 0.000 . 1 . . . . . 290 TYR CA . 52025 1 165 . 1 . 1 37 37 TYR CB C 13 41.143 0.000 . 1 . . . . . 290 TYR CB . 52025 1 166 . 1 . 1 37 37 TYR N N 15 124.279 0.042 . 1 . . . . . 290 TYR N . 52025 1 167 . 1 . 1 38 38 ASP H H 1 8.825 0.004 . 1 . . . . . 291 ASP H . 52025 1 168 . 1 . 1 38 38 ASP C C 13 177.197 0.000 . 1 . . . . . 291 ASP C . 52025 1 169 . 1 . 1 38 38 ASP CA C 13 54.091 0.000 . 1 . . . . . 291 ASP CA . 52025 1 170 . 1 . 1 38 38 ASP CB C 13 42.905 0.000 . 1 . . . . . 291 ASP CB . 52025 1 171 . 1 . 1 38 38 ASP N N 15 122.310 0.041 . 1 . . . . . 291 ASP N . 52025 1 172 . 1 . 1 39 39 ARG H H 1 8.885 0.009 . 1 . . . . . 292 ARG H . 52025 1 173 . 1 . 1 39 39 ARG C C 13 177.114 0.000 . 1 . . . . . 292 ARG C . 52025 1 174 . 1 . 1 39 39 ARG CA C 13 58.657 0.000 . 1 . . . . . 292 ARG CA . 52025 1 175 . 1 . 1 39 39 ARG CB C 13 30.246 0.000 . 1 . . . . . 292 ARG CB . 52025 1 176 . 1 . 1 39 39 ARG N N 15 128.043 0.024 . 1 . . . . . 292 ARG N . 52025 1 177 . 1 . 1 40 40 ASP H H 1 8.337 0.009 . 1 . . . . . 293 ASP H . 52025 1 178 . 1 . 1 40 40 ASP C C 13 177.194 0.000 . 1 . . . . . 293 ASP C . 52025 1 179 . 1 . 1 40 40 ASP CA C 13 56.663 0.000 . 1 . . . . . 293 ASP CA . 52025 1 180 . 1 . 1 40 40 ASP CB C 13 41.241 0.000 . 1 . . . . . 293 ASP CB . 52025 1 181 . 1 . 1 40 40 ASP N N 15 117.644 0.086 . 1 . . . . . 293 ASP N . 52025 1 182 . 1 . 1 41 41 SER H H 1 8.341 0.009 . 1 . . . . . 294 SER H . 52025 1 183 . 1 . 1 41 41 SER C C 13 176.365 0.000 . 1 . . . . . 294 SER C . 52025 1 184 . 1 . 1 41 41 SER CA C 13 58.657 0.000 . 1 . . . . . 294 SER CA . 52025 1 185 . 1 . 1 41 41 SER CB C 13 65.473 0.000 . 1 . . . . . 294 SER CB . 52025 1 186 . 1 . 1 41 41 SER N N 15 112.897 0.028 . 1 . . . . . 294 SER N . 52025 1 187 . 1 . 1 42 42 GLY H H 1 8.106 0.004 . 1 . . . . . 295 GLY H . 52025 1 188 . 1 . 1 42 42 GLY C C 13 173.591 0.000 . 1 . . . . . 295 GLY C . 52025 1 189 . 1 . 1 42 42 GLY CA C 13 45.861 0.000 . 1 . . . . . 295 GLY CA . 52025 1 190 . 1 . 1 42 42 GLY N N 15 111.970 0.037 . 1 . . . . . 295 GLY N . 52025 1 191 . 1 . 1 43 43 ARG H H 1 7.824 0.007 . 1 . . . . . 296 ARG H . 52025 1 192 . 1 . 1 43 43 ARG C C 13 176.283 0.000 . 1 . . . . . 296 ARG C . 52025 1 193 . 1 . 1 43 43 ARG CA C 13 55.644 0.000 . 1 . . . . . 296 ARG CA . 52025 1 194 . 1 . 1 43 43 ARG CB C 13 32.172 0.000 . 1 . . . . . 296 ARG CB . 52025 1 195 . 1 . 1 43 43 ARG N N 15 119.349 0.080 . 1 . . . . . 296 ARG N . 52025 1 196 . 1 . 1 44 44 SER H H 1 8.881 0.010 . 1 . . . . . 297 SER H . 52025 1 197 . 1 . 1 44 44 SER C C 13 176.342 0.000 . 1 . . . . . 297 SER C . 52025 1 198 . 1 . 1 44 44 SER CA C 13 58.346 0.000 . 1 . . . . . 297 SER CA . 52025 1 199 . 1 . 1 44 44 SER CB C 13 63.851 0.000 . 1 . . . . . 297 SER CB . 52025 1 200 . 1 . 1 44 44 SER N N 15 117.244 0.070 . 1 . . . . . 297 SER N . 52025 1 201 . 1 . 1 45 45 LYS H H 1 9.120 0.016 . 1 . . . . . 298 LYS H . 52025 1 202 . 1 . 1 45 45 LYS C C 13 177.801 0.000 . 1 . . . . . 298 LYS C . 52025 1 203 . 1 . 1 45 45 LYS CA C 13 57.482 0.000 . 1 . . . . . 298 LYS CA . 52025 1 204 . 1 . 1 45 45 LYS CB C 13 32.528 0.000 . 1 . . . . . 298 LYS CB . 52025 1 205 . 1 . 1 45 45 LYS N N 15 124.502 0.103 . 1 . . . . . 298 LYS N . 52025 1 206 . 1 . 1 46 46 GLY H H 1 9.295 0.009 . 1 . . . . . 299 GLY H . 52025 1 207 . 1 . 1 46 46 GLY C C 13 172.557 0.005 . 1 . . . . . 299 GLY C . 52025 1 208 . 1 . 1 46 46 GLY CA C 13 45.705 0.000 . 1 . . . . . 299 GLY CA . 52025 1 209 . 1 . 1 46 46 GLY N N 15 107.678 0.054 . 1 . . . . . 299 GLY N . 52025 1 210 . 1 . 1 47 47 PHE H H 1 7.006 0.006 . 1 . . . . . 300 PHE H . 52025 1 211 . 1 . 1 47 47 PHE C C 13 171.806 0.000 . 1 . . . . . 300 PHE C . 52025 1 212 . 1 . 1 47 47 PHE CA C 13 54.966 0.000 . 1 . . . . . 300 PHE CA . 52025 1 213 . 1 . 1 47 47 PHE CB C 13 41.203 0.000 . 1 . . . . . 300 PHE CB . 52025 1 214 . 1 . 1 47 47 PHE N N 15 113.489 0.095 . 1 . . . . . 300 PHE N . 52025 1 215 . 1 . 1 48 48 GLY H H 1 8.641 0.005 . 1 . . . . . 301 GLY H . 52025 1 216 . 1 . 1 48 48 GLY C C 13 169.657 0.020 . 1 . . . . . 301 GLY C . 52025 1 217 . 1 . 1 48 48 GLY CA C 13 45.245 0.000 . 1 . . . . . 301 GLY CA . 52025 1 218 . 1 . 1 48 48 GLY N N 15 105.699 0.054 . 1 . . . . . 301 GLY N . 52025 1 219 . 1 . 1 49 49 PHE H H 1 8.563 0.010 . 1 . . . . . 302 PHE H . 52025 1 220 . 1 . 1 49 49 PHE C C 13 175.503 0.000 . 1 . . . . . 302 PHE C . 52025 1 221 . 1 . 1 49 49 PHE CA C 13 55.932 0.000 . 1 . . . . . 302 PHE CA . 52025 1 222 . 1 . 1 49 49 PHE CB C 13 44.074 0.000 . 1 . . . . . 302 PHE CB . 52025 1 223 . 1 . 1 49 49 PHE N N 15 113.772 0.084 . 1 . . . . . 302 PHE N . 52025 1 224 . 1 . 1 50 50 VAL H H 1 8.650 0.013 . 1 . . . . . 303 VAL H . 52025 1 225 . 1 . 1 50 50 VAL C C 13 174.206 0.000 . 1 . . . . . 303 VAL C . 52025 1 226 . 1 . 1 50 50 VAL CA C 13 60.352 0.000 . 1 . . . . . 303 VAL CA . 52025 1 227 . 1 . 1 50 50 VAL CB C 13 35.940 0.000 . 1 . . . . . 303 VAL CB . 52025 1 228 . 1 . 1 50 50 VAL N N 15 121.290 0.139 . 1 . . . . . 303 VAL N . 52025 1 229 . 1 . 1 51 51 THR H H 1 9.270 0.006 . 1 . . . . . 304 THR H . 52025 1 230 . 1 . 1 51 51 THR C C 13 174.563 0.000 . 1 . . . . . 304 THR C . 52025 1 231 . 1 . 1 51 51 THR CA C 13 61.992 0.000 . 1 . . . . . 304 THR CA . 52025 1 232 . 1 . 1 51 51 THR CB C 13 69.785 0.000 . 1 . . . . . 304 THR CB . 52025 1 233 . 1 . 1 51 51 THR N N 15 124.663 0.086 . 1 . . . . . 304 THR N . 52025 1 234 . 1 . 1 52 52 LEU H H 1 8.483 0.029 . 1 . . . . . 305 LEU H . 52025 1 235 . 1 . 1 52 52 LEU C C 13 176.425 0.000 . 1 . . . . . 305 LEU C . 52025 1 236 . 1 . 1 52 52 LEU CA C 13 53.684 0.000 . 1 . . . . . 305 LEU CA . 52025 1 237 . 1 . 1 52 52 LEU CB C 13 42.271 0.000 . 1 . . . . . 305 LEU CB . 52025 1 238 . 1 . 1 52 52 LEU N N 15 128.299 0.035 . 1 . . . . . 305 LEU N . 52025 1 239 . 1 . 1 53 53 SER H H 1 8.354 0.011 . 1 . . . . . 306 SER H . 52025 1 240 . 1 . 1 53 53 SER N N 15 113.005 0.020 . 1 . . . . . 306 SER N . 52025 1 241 . 1 . 1 60 60 LYS C C 13 179.018 0.000 . 1 . . . . . 313 LYS C . 52025 1 242 . 1 . 1 60 60 LYS CB C 13 32.677 0.000 . 1 . . . . . 313 LYS CB . 52025 1 243 . 1 . 1 61 61 ALA H H 1 8.528 0.003 . 1 . . . . . 314 ALA H . 52025 1 244 . 1 . 1 61 61 ALA C C 13 179.491 0.000 . 1 . . . . . 314 ALA C . 52025 1 245 . 1 . 1 61 61 ALA CA C 13 55.631 0.000 . 1 . . . . . 314 ALA CA . 52025 1 246 . 1 . 1 61 61 ALA CB C 13 18.661 0.000 . 1 . . . . . 314 ALA CB . 52025 1 247 . 1 . 1 61 61 ALA N N 15 121.968 0.051 . 1 . . . . . 314 ALA N . 52025 1 248 . 1 . 1 62 62 ILE H H 1 8.253 0.004 . 1 . . . . . 315 ILE H . 52025 1 249 . 1 . 1 62 62 ILE C C 13 178.051 0.000 . 1 . . . . . 315 ILE C . 52025 1 250 . 1 . 1 62 62 ILE CA C 13 66.562 0.000 . 1 . . . . . 315 ILE CA . 52025 1 251 . 1 . 1 62 62 ILE CB C 13 38.744 0.000 . 1 . . . . . 315 ILE CB . 52025 1 252 . 1 . 1 62 62 ILE N N 15 118.378 0.031 . 1 . . . . . 315 ILE N . 52025 1 253 . 1 . 1 63 63 ASN H H 1 7.822 0.012 . 1 . . . . . 316 ASN H . 52025 1 254 . 1 . 1 63 63 ASN C C 13 177.530 0.000 . 1 . . . . . 316 ASN C . 52025 1 255 . 1 . 1 63 63 ASN CA C 13 56.048 0.000 . 1 . . . . . 316 ASN CA . 52025 1 256 . 1 . 1 63 63 ASN CB C 13 38.677 0.000 . 1 . . . . . 316 ASN CB . 52025 1 257 . 1 . 1 63 63 ASN N N 15 115.630 0.034 . 1 . . . . . 316 ASN N . 52025 1 258 . 1 . 1 64 64 SER H H 1 8.217 0.007 . 1 . . . . . 317 SER H . 52025 1 259 . 1 . 1 64 64 SER C C 13 175.697 0.000 . 1 . . . . . 317 SER C . 52025 1 260 . 1 . 1 64 64 SER CA C 13 60.926 0.000 . 1 . . . . . 317 SER CA . 52025 1 261 . 1 . 1 64 64 SER CB C 13 64.301 0.000 . 1 . . . . . 317 SER CB . 52025 1 262 . 1 . 1 64 64 SER N N 15 112.226 0.045 . 1 . . . . . 317 SER N . 52025 1 263 . 1 . 1 65 65 LEU H H 1 8.289 0.011 . 1 . . . . . 318 LEU H . 52025 1 264 . 1 . 1 65 65 LEU C C 13 177.294 0.000 . 1 . . . . . 318 LEU C . 52025 1 265 . 1 . 1 65 65 LEU CA C 13 55.110 0.000 . 1 . . . . . 318 LEU CA . 52025 1 266 . 1 . 1 65 65 LEU CB C 13 43.497 0.000 . 1 . . . . . 318 LEU CB . 52025 1 267 . 1 . 1 65 65 LEU N N 15 118.353 0.105 . 1 . . . . . 318 LEU N . 52025 1 268 . 1 . 1 66 66 ASN H H 1 8.175 0.005 . 1 . . . . . 319 ASN H . 52025 1 269 . 1 . 1 66 66 ASN C C 13 176.773 0.000 . 1 . . . . . 319 ASN C . 52025 1 270 . 1 . 1 66 66 ASN CA C 13 56.951 0.000 . 1 . . . . . 319 ASN CA . 52025 1 271 . 1 . 1 66 66 ASN CB C 13 38.632 0.000 . 1 . . . . . 319 ASN CB . 52025 1 272 . 1 . 1 66 66 ASN N N 15 120.367 0.234 . 1 . . . . . 319 ASN N . 52025 1 273 . 1 . 1 67 67 GLY H H 1 8.712 0.004 . 1 . . . . . 320 GLY H . 52025 1 274 . 1 . 1 67 67 GLY C C 13 173.333 0.000 . 1 . . . . . 320 GLY C . 52025 1 275 . 1 . 1 67 67 GLY CA C 13 45.641 0.000 . 1 . . . . . 320 GLY CA . 52025 1 276 . 1 . 1 67 67 GLY N N 15 117.972 0.034 . 1 . . . . . 320 GLY N . 52025 1 277 . 1 . 1 68 68 ALA H H 1 7.813 0.004 . 1 . . . . . 321 ALA H . 52025 1 278 . 1 . 1 68 68 ALA C C 13 175.671 0.000 . 1 . . . . . 321 ALA C . 52025 1 279 . 1 . 1 68 68 ALA CA C 13 52.426 0.000 . 1 . . . . . 321 ALA CA . 52025 1 280 . 1 . 1 68 68 ALA CB C 13 19.201 0.000 . 1 . . . . . 321 ALA CB . 52025 1 281 . 1 . 1 68 68 ALA N N 15 123.939 0.029 . 1 . . . . . 321 ALA N . 52025 1 282 . 1 . 1 69 69 ASP H H 1 8.073 0.009 . 1 . . . . . 322 ASP H . 52025 1 283 . 1 . 1 69 69 ASP C C 13 176.224 0.000 . 1 . . . . . 322 ASP C . 52025 1 284 . 1 . 1 69 69 ASP CA C 13 53.992 0.000 . 1 . . . . . 322 ASP CA . 52025 1 285 . 1 . 1 69 69 ASP CB C 13 42.268 0.000 . 1 . . . . . 322 ASP CB . 52025 1 286 . 1 . 1 69 69 ASP N N 15 119.014 0.123 . 1 . . . . . 322 ASP N . 52025 1 287 . 1 . 1 70 70 LEU H H 1 8.827 0.008 . 1 . . . . . 323 LEU H . 52025 1 288 . 1 . 1 70 70 LEU C C 13 175.954 0.000 . 1 . . . . . 323 LEU C . 52025 1 289 . 1 . 1 70 70 LEU CA C 13 55.289 0.000 . 1 . . . . . 323 LEU CA . 52025 1 290 . 1 . 1 70 70 LEU CB C 13 43.831 0.000 . 1 . . . . . 323 LEU CB . 52025 1 291 . 1 . 1 70 70 LEU N N 15 126.379 0.048 . 1 . . . . . 323 LEU N . 52025 1 292 . 1 . 1 71 71 ASP H H 1 9.318 0.008 . 1 . . . . . 324 ASP H . 52025 1 293 . 1 . 1 71 71 ASP C C 13 175.472 0.000 . 1 . . . . . 324 ASP C . 52025 1 294 . 1 . 1 71 71 ASP CA C 13 55.312 0.000 . 1 . . . . . 324 ASP CA . 52025 1 295 . 1 . 1 71 71 ASP CB C 13 40.194 0.000 . 1 . . . . . 324 ASP CB . 52025 1 296 . 1 . 1 71 71 ASP N N 15 128.282 0.072 . 1 . . . . . 324 ASP N . 52025 1 297 . 1 . 1 72 72 GLY H H 1 8.404 0.005 . 1 . . . . . 325 GLY H . 52025 1 298 . 1 . 1 72 72 GLY C C 13 174.197 0.000 . 1 . . . . . 325 GLY C . 52025 1 299 . 1 . 1 72 72 GLY CA C 13 45.761 0.000 . 1 . . . . . 325 GLY CA . 52025 1 300 . 1 . 1 72 72 GLY N N 15 103.492 0.034 . 1 . . . . . 325 GLY N . 52025 1 301 . 1 . 1 73 73 ARG H H 1 7.434 0.006 . 1 . . . . . 326 ARG H . 52025 1 302 . 1 . 1 73 73 ARG C C 13 174.331 0.000 . 1 . . . . . 326 ARG C . 52025 1 303 . 1 . 1 73 73 ARG CA C 13 53.914 0.000 . 1 . . . . . 326 ARG CA . 52025 1 304 . 1 . 1 73 73 ARG CB C 13 33.326 0.000 . 1 . . . . . 326 ARG CB . 52025 1 305 . 1 . 1 73 73 ARG N N 15 119.306 0.032 . 1 . . . . . 326 ARG N . 52025 1 306 . 1 . 1 74 74 GLN H H 1 8.103 0.005 . 1 . . . . . 327 GLN H . 52025 1 307 . 1 . 1 74 74 GLN C C 13 177.035 0.000 . 1 . . . . . 327 GLN C . 52025 1 308 . 1 . 1 74 74 GLN CA C 13 55.360 0.000 . 1 . . . . . 327 GLN CA . 52025 1 309 . 1 . 1 74 74 GLN CB C 13 29.131 0.000 . 1 . . . . . 327 GLN CB . 52025 1 310 . 1 . 1 74 74 GLN N N 15 119.885 0.040 . 1 . . . . . 327 GLN N . 52025 1 311 . 1 . 1 75 75 ILE H H 1 8.768 0.005 . 1 . . . . . 328 ILE H . 52025 1 312 . 1 . 1 75 75 ILE C C 13 175.392 0.000 . 1 . . . . . 328 ILE C . 52025 1 313 . 1 . 1 75 75 ILE CA C 13 62.164 0.000 . 1 . . . . . 328 ILE CA . 52025 1 314 . 1 . 1 75 75 ILE CB C 13 39.539 0.000 . 1 . . . . . 328 ILE CB . 52025 1 315 . 1 . 1 75 75 ILE N N 15 122.539 0.063 . 1 . . . . . 328 ILE N . 52025 1 316 . 1 . 1 76 76 ARG H H 1 7.924 0.046 . 1 . . . . . 329 ARG H . 52025 1 317 . 1 . 1 76 76 ARG C C 13 174.999 0.000 . 1 . . . . . 329 ARG C . 52025 1 318 . 1 . 1 76 76 ARG CA C 13 53.735 0.000 . 1 . . . . . 329 ARG CA . 52025 1 319 . 1 . 1 76 76 ARG CB C 13 32.409 0.000 . 1 . . . . . 329 ARG CB . 52025 1 320 . 1 . 1 76 76 ARG N N 15 121.901 0.081 . 1 . . . . . 329 ARG N . 52025 1 321 . 1 . 1 77 77 VAL H H 1 8.716 0.011 . 1 . . . . . 330 VAL H . 52025 1 322 . 1 . 1 77 77 VAL C C 13 174.287 0.000 . 1 . . . . . 330 VAL C . 52025 1 323 . 1 . 1 77 77 VAL CA C 13 61.317 0.041 . 1 . . . . . 330 VAL CA . 52025 1 324 . 1 . 1 77 77 VAL CB C 13 34.891 0.000 . 1 . . . . . 330 VAL CB . 52025 1 325 . 1 . 1 77 77 VAL N N 15 124.745 0.123 . 1 . . . . . 330 VAL N . 52025 1 326 . 1 . 1 78 78 SER H H 1 9.032 0.016 . 1 . . . . . 331 SER H . 52025 1 327 . 1 . 1 78 78 SER C C 13 173.028 0.000 . 1 . . . . . 331 SER C . 52025 1 328 . 1 . 1 78 78 SER CA C 13 56.986 0.007 . 1 . . . . . 331 SER CA . 52025 1 329 . 1 . 1 78 78 SER CB C 13 66.362 0.000 . 1 . . . . . 331 SER CB . 52025 1 330 . 1 . 1 78 78 SER N N 15 119.547 0.086 . 1 . . . . . 331 SER N . 52025 1 331 . 1 . 1 79 79 GLU H H 1 9.180 0.084 . 1 . . . . . 332 GLU H . 52025 1 332 . 1 . 1 79 79 GLU C C 13 177.471 0.000 . 1 . . . . . 332 GLU C . 52025 1 333 . 1 . 1 79 79 GLU CA C 13 59.071 0.000 . 1 . . . . . 332 GLU CA . 52025 1 334 . 1 . 1 79 79 GLU CB C 13 29.979 0.000 . 1 . . . . . 332 GLU CB . 52025 1 335 . 1 . 1 79 79 GLU N N 15 122.207 0.257 . 1 . . . . . 332 GLU N . 52025 1 336 . 1 . 1 80 80 ALA H H 1 8.370 0.044 . 1 . . . . . 333 ALA H . 52025 1 337 . 1 . 1 80 80 ALA N N 15 126.921 0.056 . 1 . . . . . 333 ALA N . 52025 1 338 . 1 . 1 81 81 GLU H H 1 8.784 0.001 . 1 . . . . . 334 GLU H . 52025 1 339 . 1 . 1 81 81 GLU CA C 13 57.707 0.000 . 1 . . . . . 334 GLU CA . 52025 1 340 . 1 . 1 81 81 GLU N N 15 119.113 0.009 . 1 . . . . . 334 GLU N . 52025 1 341 . 1 . 1 82 82 LYS H H 1 7.892 0.026 . 1 . . . . . 335 LYS H . 52025 1 342 . 1 . 1 82 82 LYS N N 15 120.072 0.233 . 1 . . . . . 335 LYS N . 52025 1 343 . 1 . 1 83 83 LEU H H 1 7.772 0.027 . 1 . . . . . 336 LEU H . 52025 1 344 . 1 . 1 83 83 LEU N N 15 122.194 0.185 . 1 . . . . . 336 LEU N . 52025 1 345 . 1 . 1 84 84 ALA H H 1 8.027 0.014 . 1 . . . . . 337 ALA H . 52025 1 346 . 1 . 1 84 84 ALA N N 15 123.439 0.129 . 1 . . . . . 337 ALA N . 52025 1 347 . 1 . 1 85 85 ALA H H 1 7.917 0.041 . 1 . . . . . 338 ALA H . 52025 1 348 . 1 . 1 85 85 ALA C C 13 178.039 0.000 . 1 . . . . . 338 ALA C . 52025 1 349 . 1 . 1 85 85 ALA CA C 13 53.262 0.000 . 1 . . . . . 338 ALA CA . 52025 1 350 . 1 . 1 85 85 ALA CB C 13 18.790 0.000 . 1 . . . . . 338 ALA CB . 52025 1 351 . 1 . 1 85 85 ALA N N 15 121.757 0.218 . 1 . . . . . 338 ALA N . 52025 1 stop_ save_