################################### # 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 51993 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name assigned_chemical_shifts_1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $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 NCACX' . . . 51993 1 2 '2D NCOCX' . . . 51993 1 3 '3D NCACX' . . . 51993 1 4 '3D NCOCX' . . . 51993 1 5 '2D 13C/13C PDSD' . . . 51993 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 . . 51993 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 PCA CA C 13 58.860 . . . . . . . . 3 PCA CA . 51993 1 2 . 1 . 1 1 1 PCA CB C 13 28.162 . . . . . . . . 3 PCA CB . 51993 1 3 . 1 . 1 1 1 PCA CG C 13 31.915 . . . . . . . . 3 PCA CG . 51993 1 4 . 1 . 1 1 1 PCA CD C 13 184.144 . . . . . . . . 3 PCA CD . 51993 1 5 . 1 . 1 1 1 PCA N N 15 126.522 . . . . . . . . 3 PCA N . 51993 1 6 . 1 . 1 2 2 PHE CA C 13 56.153 . . . . . . . . 4 F CA . 51993 1 7 . 1 . 1 2 2 PHE CB C 13 44.452 . . . . . . . . 4 F CB . 51993 1 8 . 1 . 1 2 2 PHE N N 15 129.834 . . . . . . . . 4 F N . 51993 1 9 . 1 . 1 3 3 ARG CA C 13 54.216 . . . . . . . . 5 R CA . 51993 1 10 . 1 . 1 3 3 ARG CB C 13 34.637 . . . . . . . . 5 R CB . 51993 1 11 . 1 . 1 3 3 ARG CG C 13 27.384 . . . . . . . . 5 R CG . 51993 1 12 . 1 . 1 3 3 ARG CD C 13 43.794 . . . . . . . . 5 R CD . 51993 1 13 . 1 . 1 3 3 ARG CZ C 13 159.477 . . . . . . . . 5 R CZ . 51993 1 14 . 1 . 1 3 3 ARG N N 15 126.453 . . . . . . . . 5 R N . 51993 1 15 . 1 . 1 4 4 HIS CA C 13 50.766 . . . . . . . . 6 H CA . 51993 1 16 . 1 . 1 4 4 HIS CB C 13 31.344 . . . . . . . . 6 H CB . 51993 1 17 . 1 . 1 4 4 HIS N N 15 129.308 . . . . . . . . 6 H N . 51993 1 18 . 1 . 1 5 5 ASP C C 13 174.812 . . . . . . . . 7 D C . 51993 1 19 . 1 . 1 5 5 ASP CA C 13 52.394 . . . . . . . . 7 D CA . 51993 1 20 . 1 . 1 5 5 ASP CB C 13 41.516 . . . . . . . . 7 D CB . 51993 1 21 . 1 . 1 5 5 ASP CG C 13 177.751 . . . . . . . . 7 D CG . 51993 1 22 . 1 . 1 5 5 ASP N N 15 127.253 . . . . . . . . 7 D N . 51993 1 23 . 1 . 1 6 6 SER C C 13 172.707 . . . . . . . . 8 S C . 51993 1 24 . 1 . 1 6 6 SER CA C 13 55.331 . . . . . . . . 8 S CA . 51993 1 25 . 1 . 1 6 6 SER CB C 13 65.780 . . . . . . . . 8 S CB . 51993 1 26 . 1 . 1 6 6 SER N N 15 118.831 . . . . . . . . 8 S N . 51993 1 27 . 1 . 1 7 7 GLY C C 13 171.723 . . . . . . . . 9 G C . 51993 1 28 . 1 . 1 7 7 GLY CA C 13 44.331 . . . . . . . . 9 G CA . 51993 1 29 . 1 . 1 7 7 GLY N N 15 110.942 . . . . . . . . 9 G N . 51993 1 30 . 1 . 1 8 8 TYR C C 13 173.911 . . . . . . . . 10 Y C . 51993 1 31 . 1 . 1 8 8 TYR CA C 13 57.232 . . . . . . . . 10 Y CA . 51993 1 32 . 1 . 1 8 8 TYR CB C 13 41.471 . . . . . . . . 10 Y CB . 51993 1 33 . 1 . 1 8 8 TYR N N 15 124.190 . . . . . . . . 10 Y N . 51993 1 34 . 1 . 1 9 9 GLU C C 13 174.067 . . . . . . . . 11 E C . 51993 1 35 . 1 . 1 9 9 GLU CA C 13 54.688 . . . . . . . . 11 E CA . 51993 1 36 . 1 . 1 9 9 GLU CB C 13 32.001 . . . . . . . . 11 E CB . 51993 1 37 . 1 . 1 9 9 GLU CG C 13 34.799 . . . . . . . . 11 E CG . 51993 1 38 . 1 . 1 9 9 GLU N N 15 125.314 . . . . . . . . 11 E N . 51993 1 39 . 1 . 1 10 10 VAL C C 13 174.224 . . . . . . . . 12 V C . 51993 1 40 . 1 . 1 10 10 VAL CA C 13 60.481 . . . . . . . . 12 V CA . 51993 1 41 . 1 . 1 10 10 VAL CB C 13 34.651 . . . . . . . . 12 V CB . 51993 1 42 . 1 . 1 10 10 VAL CG1 C 13 20.666 . . . . . . . . 12 V CG1 . 51993 1 43 . 1 . 1 10 10 VAL N N 15 125.836 . . . . . . . . 12 V N . 51993 1 44 . 1 . 1 11 11 HIS CA C 13 51.020 . . . . . . . . 13 H CA . 51993 1 45 . 1 . 1 11 11 HIS CB C 13 32.840 . . . . . . . . 13 H CB . 51993 1 46 . 1 . 1 11 11 HIS N N 15 122.298 . . . . . . . . 13 H N . 51993 1 47 . 1 . 1 13 13 GLN C C 13 172.581 . . . . . . . . 15 Q C . 51993 1 48 . 1 . 1 13 13 GLN CA C 13 54.021 . . . . . . . . 15 Q CA . 51993 1 49 . 1 . 1 13 13 GLN CB C 13 31.768 . . . . . . . . 15 Q CB . 51993 1 50 . 1 . 1 13 13 GLN CG C 13 33.884 . . . . . . . . 15 Q CG . 51993 1 51 . 1 . 1 13 13 GLN N N 15 127.683 . . . . . . . . 15 Q N . 51993 1 52 . 1 . 1 14 14 LYS C C 13 173.603 . . . . . . . . 16 K C . 51993 1 53 . 1 . 1 14 14 LYS CA C 13 54.505 . . . . . . . . 16 K CA . 51993 1 54 . 1 . 1 14 14 LYS CB C 13 36.672 . . . . . . . . 16 K CB . 51993 1 55 . 1 . 1 14 14 LYS CG C 13 25.382 . . . . . . . . 16 K CG . 51993 1 56 . 1 . 1 14 14 LYS CD C 13 30.023 . . . . . . . . 16 K CD . 51993 1 57 . 1 . 1 14 14 LYS N N 15 128.205 . . . . . . . . 16 K N . 51993 1 58 . 1 . 1 15 15 LEU C C 13 175.289 . . . . . . . . 17 L C . 51993 1 59 . 1 . 1 15 15 LEU CA C 13 55.583 . . . . . . . . 17 L CA . 51993 1 60 . 1 . 1 15 15 LEU CB C 13 43.868 . . . . . . . . 17 L CB . 51993 1 61 . 1 . 1 15 15 LEU CG C 13 30.469 . . . . . . . . 17 L CG . 51993 1 62 . 1 . 1 15 15 LEU CD1 C 13 28.833 . . . . . . . . 17 L CD1 . 51993 1 63 . 1 . 1 15 15 LEU CD2 C 13 25.876 . . . . . . . . 17 L CD2 . 51993 1 64 . 1 . 1 15 15 LEU N N 15 128.354 . . . . . . . . 17 L N . 51993 1 65 . 1 . 1 16 16 VAL C C 13 172.651 . . . . . . . . 18 V C . 51993 1 66 . 1 . 1 16 16 VAL CA C 13 60.355 . . . . . . . . 18 V CA . 51993 1 67 . 1 . 1 16 16 VAL CB C 13 35.857 . . . . . . . . 18 V CB . 51993 1 68 . 1 . 1 16 16 VAL CG1 C 13 20.955 . . . . . . . . 18 V CG1 . 51993 1 69 . 1 . 1 16 16 VAL CG2 C 13 22.183 . . . . . . . . 18 V CG2 . 51993 1 70 . 1 . 1 16 16 VAL N N 15 121.316 . . . . . . . . 18 V N . 51993 1 71 . 1 . 1 17 17 PHE C C 13 173.103 . . . . . . . . 19 F C . 51993 1 72 . 1 . 1 17 17 PHE CA C 13 55.956 . . . . . . . . 19 F CA . 51993 1 73 . 1 . 1 17 17 PHE CB C 13 44.702 . . . . . . . . 19 F CB . 51993 1 74 . 1 . 1 17 17 PHE CE1 C 13 131.399 . . . . . . . . 19 F CE1 . 51993 1 75 . 1 . 1 17 17 PHE N N 15 129.823 . . . . . . . . 19 F N . 51993 1 76 . 1 . 1 18 18 PHE CA C 13 56.386 . . . . . . . . 20 F CA . 51993 1 77 . 1 . 1 18 18 PHE CB C 13 42.814 . . . . . . . . 20 F CB . 51993 1 78 . 1 . 1 18 18 PHE CG C 13 138.027 . . . . . . . . 20 F CG . 51993 1 79 . 1 . 1 18 18 PHE CD2 C 13 131.668 . . . . . . . . 20 F CD2 . 51993 1 80 . 1 . 1 18 18 PHE N N 15 130.729 . . . . . . . . 20 F N . 51993 1 81 . 1 . 1 19 19 ALA C C 13 174.462 . . . . . . . . 21 A C . 51993 1 82 . 1 . 1 19 19 ALA CA C 13 50.920 . . . . . . . . 21 A CA . 51993 1 83 . 1 . 1 19 19 ALA CB C 13 21.437 . . . . . . . . 21 A CB . 51993 1 84 . 1 . 1 19 19 ALA N N 15 120.897 . . . . . . . . 21 A N . 51993 1 85 . 1 . 1 20 20 GLU C C 13 173.311 . . . . . . . . 22 E C . 51993 1 86 . 1 . 1 20 20 GLU CA C 13 54.074 . . . . . . . . 22 E CA . 51993 1 87 . 1 . 1 20 20 GLU CB C 13 32.230 . . . . . . . . 22 E CB . 51993 1 88 . 1 . 1 20 20 GLU CG C 13 37.828 . . . . . . . . 22 E CG . 51993 1 89 . 1 . 1 20 20 GLU N N 15 122.092 . . . . . . . . 22 E N . 51993 1 90 . 1 . 1 21 21 ASP C C 13 176.304 . . . . . . . . 23 D C . 51993 1 91 . 1 . 1 21 21 ASP CA C 13 53.255 . . . . . . . . 23 D CA . 51993 1 92 . 1 . 1 21 21 ASP CB C 13 35.886 . . . . . . . . 23 D CB . 51993 1 93 . 1 . 1 21 21 ASP N N 15 121.324 . . . . . . . . 23 D N . 51993 1 94 . 1 . 1 22 22 VAL C C 13 175.805 . . . . . . . . 24 V C . 51993 1 95 . 1 . 1 22 22 VAL CA C 13 58.077 . . . . . . . . 24 V CA . 51993 1 96 . 1 . 1 22 22 VAL CB C 13 36.516 . . . . . . . . 24 V CB . 51993 1 97 . 1 . 1 22 22 VAL CG1 C 13 21.140 . . . . . . . . 24 V CG1 . 51993 1 98 . 1 . 1 22 22 VAL CG2 C 13 23.069 . . . . . . . . 24 V CG2 . 51993 1 99 . 1 . 1 22 22 VAL N N 15 119.943 . . . . . . . . 24 V N . 51993 1 100 . 1 . 1 23 23 GLY C C 13 174.821 . . . . . . . . 25 G C . 51993 1 101 . 1 . 1 23 23 GLY CA C 13 48.942 . . . . . . . . 25 G CA . 51993 1 102 . 1 . 1 23 23 GLY N N 15 117.433 . . . . . . . . 25 G N . 51993 1 103 . 1 . 1 24 24 SER C C 13 172.642 . . . . . . . . 26 S C . 51993 1 104 . 1 . 1 24 24 SER CA C 13 56.653 . . . . . . . . 26 S CA . 51993 1 105 . 1 . 1 24 24 SER CB C 13 65.835 . . . . . . . . 26 S CB . 51993 1 106 . 1 . 1 24 24 SER N N 15 113.104 . . . . . . . . 26 S N . 51993 1 107 . 1 . 1 25 25 ASN C C 13 174.907 . . . . . . . . 27 N C . 51993 1 108 . 1 . 1 25 25 ASN CA C 13 52.542 . . . . . . . . 27 N CA . 51993 1 109 . 1 . 1 25 25 ASN CB C 13 41.484 . . . . . . . . 27 N CB . 51993 1 110 . 1 . 1 25 25 ASN N N 15 119.795 . . . . . . . . 27 N N . 51993 1 111 . 1 . 1 26 26 LYS C C 13 173.723 . . . . . . . . 28 K C . 51993 1 112 . 1 . 1 26 26 LYS CA C 13 54.668 . . . . . . . . 28 K CA . 51993 1 113 . 1 . 1 26 26 LYS CB C 13 36.781 . . . . . . . . 28 K CB . 51993 1 114 . 1 . 1 26 26 LYS CG C 13 25.874 . . . . . . . . 28 K CG . 51993 1 115 . 1 . 1 26 26 LYS CD C 13 30.139 . . . . . . . . 28 K CD . 51993 1 116 . 1 . 1 26 26 LYS CE C 13 42.177 . . . . . . . . 28 K CE . 51993 1 117 . 1 . 1 26 26 LYS N N 15 127.738 . . . . . . . . 28 K N . 51993 1 118 . 1 . 1 26 26 LYS NZ N 15 34.091 . . . . . . . . 28 K NZ . 51993 1 119 . 1 . 1 27 27 GLY C C 13 170.478 . . . . . . . . 29 G C . 51993 1 120 . 1 . 1 27 27 GLY CA C 13 45.357 . . . . . . . . 29 G CA . 51993 1 121 . 1 . 1 27 27 GLY N N 15 110.843 . . . . . . . . 29 G N . 51993 1 122 . 1 . 1 28 28 ALA C C 13 177.151 . . . . . . . . 30 A C . 51993 1 123 . 1 . 1 28 28 ALA CA C 13 49.545 . . . . . . . . 30 A CA . 51993 1 124 . 1 . 1 28 28 ALA CB C 13 22.294 . . . . . . . . 30 A CB . 51993 1 125 . 1 . 1 28 28 ALA N N 15 121.820 . . . . . . . . 30 A N . 51993 1 126 . 1 . 1 29 29 ILE C C 13 174.975 . . . . . . . . 31 I C . 51993 1 127 . 1 . 1 29 29 ILE CA C 13 60.079 . . . . . . . . 31 I CA . 51993 1 128 . 1 . 1 29 29 ILE CB C 13 40.336 . . . . . . . . 31 I CB . 51993 1 129 . 1 . 1 29 29 ILE CG1 C 13 27.303 . . . . . . . . 31 I CG1 . 51993 1 130 . 1 . 1 29 29 ILE CG2 C 13 17.757 . . . . . . . . 31 I CG2 . 51993 1 131 . 1 . 1 29 29 ILE CD1 C 13 14.792 . . . . . . . . 31 I CD1 . 51993 1 132 . 1 . 1 29 29 ILE N N 15 123.794 . . . . . . . . 31 I N . 51993 1 133 . 1 . 1 30 30 ILE C C 13 176.336 . . . . . . . . 32 I C . 51993 1 134 . 1 . 1 30 30 ILE CA C 13 57.773 . . . . . . . . 32 I CA . 51993 1 135 . 1 . 1 30 30 ILE CB C 13 43.328 . . . . . . . . 32 I CB . 51993 1 136 . 1 . 1 30 30 ILE CG1 C 13 26.926 . . . . . . . . 32 I CG1 . 51993 1 137 . 1 . 1 30 30 ILE CG2 C 13 17.985 . . . . . . . . 32 I CG2 . 51993 1 138 . 1 . 1 30 30 ILE CD1 C 13 15.652 . . . . . . . . 32 I CD1 . 51993 1 139 . 1 . 1 30 30 ILE N N 15 125.176 . . . . . . . . 32 I N . 51993 1 140 . 1 . 1 31 31 GLY C C 13 172.937 . . . . . . . . 33 G C . 51993 1 141 . 1 . 1 31 31 GLY CA C 13 49.144 . . . . . . . . 33 G CA . 51993 1 142 . 1 . 1 31 31 GLY N N 15 115.737 . . . . . . . . 33 G N . 51993 1 143 . 1 . 1 32 32 LEU C C 13 173.525 . . . . . . . . 34 L C . 51993 1 144 . 1 . 1 32 32 LEU CA C 13 54.571 . . . . . . . . 34 L CA . 51993 1 145 . 1 . 1 32 32 LEU CB C 13 45.401 . . . . . . . . 34 L CB . 51993 1 146 . 1 . 1 32 32 LEU CG C 13 28.755 . . . . . . . . 34 L CG . 51993 1 147 . 1 . 1 32 32 LEU CD1 C 13 23.806 . . . . . . . . 34 L CD1 . 51993 1 148 . 1 . 1 32 32 LEU N N 15 124.206 . . . . . . . . 34 L N . 51993 1 149 . 1 . 1 33 33 MET C C 13 173.542 . . . . . . . . 35 M C . 51993 1 150 . 1 . 1 33 33 MET CA C 13 54.116 . . . . . . . . 35 M CA . 51993 1 151 . 1 . 1 33 33 MET CB C 13 34.921 . . . . . . . . 35 M CB . 51993 1 152 . 1 . 1 33 33 MET CG C 13 31.412 . . . . . . . . 35 M CG . 51993 1 153 . 1 . 1 33 33 MET N N 15 128.451 . . . . . . . . 35 M N . 51993 1 154 . 1 . 1 34 34 VAL C C 13 174.636 . . . . . . . . 36 V C . 51993 1 155 . 1 . 1 34 34 VAL CA C 13 60.518 . . . . . . . . 36 V CA . 51993 1 156 . 1 . 1 34 34 VAL CB C 13 34.707 . . . . . . . . 36 V CB . 51993 1 157 . 1 . 1 34 34 VAL CG1 C 13 20.681 . . . . . . . . 36 V CG1 . 51993 1 158 . 1 . 1 34 34 VAL CG2 C 13 21.823 . . . . . . . . 36 V CG2 . 51993 1 159 . 1 . 1 34 34 VAL N N 15 126.226 . . . . . . . . 36 V N . 51993 1 160 . 1 . 1 35 35 GLY C C 13 171.533 . . . . . . . . 37 G C . 51993 1 161 . 1 . 1 35 35 GLY CA C 13 44.182 . . . . . . . . 37 G CA . 51993 1 162 . 1 . 1 35 35 GLY N N 15 111.513 . . . . . . . . 37 G N . 51993 1 163 . 1 . 1 36 36 GLY C C 13 169.512 . . . . . . . . 38 G C . 51993 1 164 . 1 . 1 36 36 GLY CA C 13 44.104 . . . . . . . . 38 G CA . 51993 1 165 . 1 . 1 36 36 GLY N N 15 102.962 . . . . . . . . 38 G N . 51993 1 166 . 1 . 1 37 37 VAL C C 13 174.478 . . . . . . . . 39 V C . 51993 1 167 . 1 . 1 37 37 VAL CA C 13 60.525 . . . . . . . . 39 V CA . 51993 1 168 . 1 . 1 37 37 VAL CB C 13 35.011 . . . . . . . . 39 V CB . 51993 1 169 . 1 . 1 37 37 VAL CG1 C 13 21.817 . . . . . . . . 39 V CG1 . 51993 1 170 . 1 . 1 37 37 VAL CG2 C 13 20.140 . . . . . . . . 39 V CG2 . 51993 1 171 . 1 . 1 37 37 VAL N N 15 126.665 . . . . . . . . 39 V N . 51993 1 172 . 1 . 1 38 38 VAL C C 13 174.377 . . . . . . . . 40 V C . 51993 1 173 . 1 . 1 38 38 VAL CA C 13 60.598 . . . . . . . . 40 V CA . 51993 1 174 . 1 . 1 38 38 VAL CB C 13 34.929 . . . . . . . . 40 V CB . 51993 1 175 . 1 . 1 38 38 VAL CG1 C 13 21.997 . . . . . . . . 40 V CG1 . 51993 1 176 . 1 . 1 38 38 VAL CG2 C 13 20.582 . . . . . . . . 40 V CG2 . 51993 1 177 . 1 . 1 38 38 VAL N N 15 128.189 . . . . . . . . 40 V N . 51993 1 178 . 1 . 1 39 39 ILE C C 13 174.304 . . . . . . . . 41 I C . 51993 1 179 . 1 . 1 39 39 ILE CA C 13 59.346 . . . . . . . . 41 I CA . 51993 1 180 . 1 . 1 39 39 ILE CB C 13 39.997 . . . . . . . . 41 I CB . 51993 1 181 . 1 . 1 39 39 ILE CG1 C 13 27.333 . . . . . . . . 41 I CG1 . 51993 1 182 . 1 . 1 39 39 ILE CG2 C 13 16.843 . . . . . . . . 41 I CG2 . 51993 1 183 . 1 . 1 39 39 ILE CD1 C 13 12.840 . . . . . . . . 41 I CD1 . 51993 1 184 . 1 . 1 39 39 ILE N N 15 127.110 . . . . . . . . 41 I N . 51993 1 185 . 1 . 1 40 40 ALA C C 13 179.895 . . . . . . . . 42 A C . 51993 1 186 . 1 . 1 40 40 ALA CA C 13 51.344 . . . . . . . . 42 A CA . 51993 1 187 . 1 . 1 40 40 ALA CB C 13 19.803 . . . . . . . . 42 A CB . 51993 1 188 . 1 . 1 40 40 ALA N N 15 131.023 . . . . . . . . 42 A N . 51993 1 stop_ save_