################################### # 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 27212 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err 0.5 _Assigned_chem_shift_list.Chem_shift_15N_err 1.1 _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 linewidths _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 13C-13C PDSD' . . . 27212 1 3 '1D HN CP' . . . 27212 1 4 '2D SPC5_2' . . . 27212 1 5 '2D NCACX DARR' . . . 27212 1 6 '2D NCACB DREAM' . . . 27212 1 7 '2D NCOCX DARR' . . . 27212 1 9 '3D NCOCX DARR' . . . 27212 1 10 '2D NcoCACB BSH CP DREAM' . . . 27212 1 11 '3D NcoCACB BSH CP DREAM' . . . 27212 1 12 '2D 13C-13C PAR' . . . 27212 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.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 ASP C C 13 171.846 0.5 . . . . . . . 1 D C . 27212 1 2 . 1 1 1 1 ASP CA C 13 54.913 0.5 . . . . . . . 1 D CA . 27212 1 3 . 1 1 1 1 ASP CB C 13 41.913 0.5 . . . . . . . 1 D CB . 27212 1 4 . 1 1 1 1 ASP CG C 13 180.116 0.5 . . . . . . . 1 D CG . 27212 1 5 . 1 1 2 2 ALA C C 13 175.559 0.5 . . . . . . . 2 A C . 27212 1 6 . 1 1 2 2 ALA CA C 13 50.992 0.5 . . . . . . . 2 A CA . 27212 1 7 . 1 1 2 2 ALA CB C 13 24.455 0.5 . . . . . . . 2 A CB . 27212 1 8 . 1 1 2 2 ALA N N 15 121.869 1.1 . . . . . . . 2 A N . 27212 1 9 . 1 1 3 3 GLU C C 13 173.560 0.5 . . . . . . . 3 E C . 27212 1 10 . 1 1 3 3 GLU CA C 13 54.357 0.5 . . . . . . . 3 E CA . 27212 1 11 . 1 1 3 3 GLU CB C 13 31.964 0.5 . . . . . . . 3 E CB . 27212 1 12 . 1 1 3 3 GLU CG C 13 33.674 0.5 . . . . . . . 3 E CG . 27212 1 13 . 1 1 3 3 GLU N N 15 116.085 1.1 . . . . . . . 3 E N . 27212 1 14 . 1 1 4 4 PHE C C 13 172.482 0.5 . . . . . . . 4 F C . 27212 1 15 . 1 1 4 4 PHE CA C 13 56.596 0.5 . . . . . . . 4 F CA . 27212 1 16 . 1 1 4 4 PHE CB C 13 42.297 0.5 . . . . . . . 4 F CB . 27212 1 17 . 1 1 4 4 PHE CG C 13 137.911 0.5 . . . . . . . 4 F CG . 27212 1 18 . 1 1 4 4 PHE CD1 C 13 131.546 0.5 . . . . . . . 4 F CD1 . 27212 1 19 . 1 1 4 4 PHE N N 15 121.456 1.1 . . . . . . . 4 F N . 27212 1 20 . 1 1 5 5 ARG C C 13 173.529 0.5 . . . . . . . 5 R C . 27212 1 21 . 1 1 5 5 ARG CA C 13 54.619 0.5 . . . . . . . 5 R CA . 27212 1 22 . 1 1 5 5 ARG CB C 13 33.860 0.5 . . . . . . . 5 R CB . 27212 1 23 . 1 1 5 5 ARG CG C 13 27.527 0.5 . . . . . . . 5 R CG . 27212 1 24 . 1 1 5 5 ARG CD C 13 43.856 0.5 . . . . . . . 5 R CD . 27212 1 25 . 1 1 5 5 ARG CZ C 13 159.294 0.5 . . . . . . . 5 R CZ . 27212 1 26 . 1 1 5 5 ARG N N 15 121.139 1.1 . . . . . . . 5 R N . 27212 1 27 . 1 1 5 5 ARG NE N 15 84.521 1.1 . . . . . . . 5 R NE . 27212 1 28 . 1 1 5 5 ARG NH1 N 15 72.641 1.1 . . . . . . . 5 R NH1 . 27212 1 29 . 1 1 5 5 ARG NH2 N 15 70.606 1.1 . . . . . . . 5 R NH2 . 27212 1 30 . 1 1 6 6 HIS C C 13 173.761 0.5 . . . . . . . 6 H C . 27212 1 31 . 1 1 6 6 HIS CA C 13 51.431 0.5 . . . . . . . 6 H CA . 27212 1 32 . 1 1 6 6 HIS CB C 13 33.387 0.5 . . . . . . . 6 H CB . 27212 1 33 . 1 1 6 6 HIS CG C 13 132.655 0.5 . . . . . . . 6 H CG . 27212 1 34 . 1 1 6 6 HIS N N 15 127.046 1.1 . . . . . . . 6 H N . 27212 1 35 . 1 1 7 7 ASP C C 13 173.180 0.5 . . . . . . . 7 D C . 27212 1 36 . 1 1 7 7 ASP CA C 13 51.970 0.5 . . . . . . . 7 D CA . 27212 1 37 . 1 1 7 7 ASP CB C 13 41.248 0.5 . . . . . . . 7 D CB . 27212 1 38 . 1 1 7 7 ASP CG C 13 179.372 0.5 . . . . . . . 7 D CG . 27212 1 39 . 1 1 7 7 ASP N N 15 121.456 1.1 . . . . . . . 7 D N . 27212 1 40 . 1 1 8 8 SER C C 13 174.968 0.5 . . . . . . . 8 S C . 27212 1 41 . 1 1 8 8 SER CA C 13 55.231 0.5 . . . . . . . 8 S CA . 27212 1 42 . 1 1 8 8 SER CB C 13 66.306 0.5 . . . . . . . 8 S CB . 27212 1 43 . 1 1 8 8 SER N N 15 116.940 1.1 . . . . . . . 8 S N . 27212 1 44 . 1 1 9 9 GLY C C 13 173.768 0.5 . . . . . . . 9 G C . 27212 1 45 . 1 1 9 9 GLY CA C 13 47.298 0.5 . . . . . . . 9 G CA . 27212 1 46 . 1 1 9 9 GLY N N 15 111.873 1.1 . . . . . . . 9 G N . 27212 1 47 . 1 1 10 10 TYR C C 13 173.599 0.5 . . . . . . . 10 Y C . 27212 1 48 . 1 1 10 10 TYR CA C 13 56.772 0.5 . . . . . . . 10 Y CA . 27212 1 49 . 1 1 10 10 TYR CB C 13 41.625 0.5 . . . . . . . 10 Y CB . 27212 1 50 . 1 1 10 10 TYR CD1 C 13 132.928 0.5 . . . . . . . 10 Y CD1 . 27212 1 51 . 1 1 10 10 TYR CE1 C 13 118.375 0.5 . . . . . . . 10 Y CE1 . 27212 1 52 . 1 1 10 10 TYR CZ C 13 157.027 0.5 . . . . . . . 10 Y CZ . 27212 1 53 . 1 1 10 10 TYR N N 15 124.926 1.1 . . . . . . . 10 Y N . 27212 1 54 . 1 1 11 11 GLU C C 13 173.733 0.5 . . . . . . . 11 E C . 27212 1 55 . 1 1 11 11 GLU CA C 13 54.527 0.5 . . . . . . . 11 E CA . 27212 1 56 . 1 1 11 11 GLU CB C 13 33.361 0.5 . . . . . . . 11 E CB . 27212 1 57 . 1 1 11 11 GLU CG C 13 35.036 0.5 . . . . . . . 11 E CG . 27212 1 58 . 1 1 11 11 GLU CD C 13 182.501 0.5 . . . . . . . 11 E CD . 27212 1 59 . 1 1 11 11 GLU N N 15 125.547 1.1 . . . . . . . 11 E N . 27212 1 60 . 1 1 12 12 VAL C C 13 173.975 0.5 . . . . . . . 12 V C . 27212 1 61 . 1 1 12 12 VAL CA C 13 60.318 0.5 . . . . . . . 12 V CA . 27212 1 62 . 1 1 12 12 VAL CB C 13 34.823 0.5 . . . . . . . 12 V CB . 27212 1 63 . 1 1 12 12 VAL CG1 C 13 21.200 0.5 . . . . . . . 12 V CG1 . 27212 1 64 . 1 1 12 12 VAL CG2 C 13 20.502 0.5 . . . . . . . 12 V CG2 . 27212 1 65 . 1 1 12 12 VAL N N 15 124.487 1.1 . . . . . . . 12 V N . 27212 1 66 . 1 1 13 13 HIS C C 13 172.828 0.5 . . . . . . . 13 H C . 27212 1 67 . 1 1 13 13 HIS CA C 13 51.389 0.5 . . . . . . . 13 H CA . 27212 1 68 . 1 1 13 13 HIS CB C 13 31.919 0.5 . . . . . . . 13 H CB . 27212 1 69 . 1 1 13 13 HIS CG C 13 131.636 0.5 . . . . . . . 13 H CG . 27212 1 70 . 1 1 13 13 HIS CD2 C 13 117.256 0.5 . . . . . . . 13 H CD2 . 27212 1 71 . 1 1 13 13 HIS CE1 C 13 137.656 0.5 . . . . . . . 13 H CE1 . 27212 1 72 . 1 1 13 13 HIS N N 15 126.559 1.1 . . . . . . . 13 H N . 27212 1 73 . 1 1 14 14 HIS C C 13 174.074 0.5 . . . . . . . 14 H C . 27212 1 74 . 1 1 14 14 HIS CA C 13 51.107 0.5 . . . . . . . 14 H CA . 27212 1 75 . 1 1 14 14 HIS CB C 13 32.703 0.5 . . . . . . . 14 H CB . 27212 1 76 . 1 1 14 14 HIS CG C 13 132.639 0.5 . . . . . . . 14 H CG . 27212 1 77 . 1 1 14 14 HIS CD2 C 13 115.126 0.5 . . . . . . . 14 H CD2 . 27212 1 78 . 1 1 14 14 HIS N N 15 127.344 1.1 . . . . . . . 14 H N . 27212 1 79 . 1 1 14 14 HIS NE2 N 15 176.111 1.1 . . . . . . . 14 H NE2 . 27212 1 80 . 1 1 15 15 GLN C C 13 174.268 0.5 . . . . . . . 15 Q C . 27212 1 81 . 1 1 15 15 GLN CA C 13 53.087 0.5 . . . . . . . 15 Q CA . 27212 1 82 . 1 1 15 15 GLN CB C 13 31.885 0.5 . . . . . . . 15 Q CB . 27212 1 83 . 1 1 15 15 GLN CG C 13 33.090 0.5 . . . . . . . 15 Q CG . 27212 1 84 . 1 1 15 15 GLN CD C 13 179.240 0.5 . . . . . . . 15 Q CD . 27212 1 85 . 1 1 15 15 GLN N N 15 121.659 1.1 . . . . . . . 15 Q N . 27212 1 86 . 1 1 16 16 LYS C C 13 173.227 0.5 . . . . . . . 16 K C . 27212 1 87 . 1 1 16 16 LYS CA C 13 54.450 0.5 . . . . . . . 16 K CA . 27212 1 88 . 1 1 16 16 LYS CB C 13 39.177 0.5 . . . . . . . 16 K CB . 27212 1 89 . 1 1 16 16 LYS CG C 13 25.947 0.5 . . . . . . . 16 K CG . 27212 1 90 . 1 1 16 16 LYS CD C 13 31.346 0.5 . . . . . . . 16 K CD . 27212 1 91 . 1 1 16 16 LYS CE C 13 42.307 0.5 . . . . . . . 16 K CE . 27212 1 92 . 1 1 16 16 LYS N N 15 123.766 1.1 . . . . . . . 16 K N . 27212 1 93 . 1 1 16 16 LYS NZ N 15 33.714 1.1 . . . . . . . 16 K NZ . 27212 1 94 . 1 1 17 17 LEU C C 13 175.062 0.5 . . . . . . . 17 L C . 27212 1 95 . 1 1 17 17 LEU CA C 13 54.921 0.5 . . . . . . . 17 L CA . 27212 1 96 . 1 1 17 17 LEU CB C 13 44.974 0.5 . . . . . . . 17 L CB . 27212 1 97 . 1 1 17 17 LEU CG C 13 31.347 0.5 . . . . . . . 17 L CG . 27212 1 98 . 1 1 17 17 LEU CD1 C 13 27.209 0.5 . . . . . . . 17 L CD1 . 27212 1 99 . 1 1 17 17 LEU CD2 C 13 24.381 0.5 . . . . . . . 17 L CD2 . 27212 1 100 . 1 1 17 17 LEU N N 15 128.642 1.1 . . . . . . . 17 L N . 27212 1 101 . 1 1 18 18 VAL C C 13 176.408 0.5 . . . . . . . 18 V C . 27212 1 102 . 1 1 18 18 VAL CA C 13 60.629 0.5 . . . . . . . 18 V CA . 27212 1 103 . 1 1 18 18 VAL CB C 13 35.417 0.5 . . . . . . . 18 V CB . 27212 1 104 . 1 1 18 18 VAL CG1 C 13 20.915 0.5 . . . . . . . 18 V CG1 . 27212 1 105 . 1 1 18 18 VAL CG2 C 13 22.202 0.5 . . . . . . . 18 V CG2 . 27212 1 106 . 1 1 18 18 VAL N N 15 121.527 1.1 . . . . . . . 18 V N . 27212 1 107 . 1 1 19 19 PHE C C 13 172.623 0.5 . . . . . . . 19 F C . 27212 1 108 . 1 1 19 19 PHE CA C 13 56.636 0.5 . . . . . . . 19 F CA . 27212 1 109 . 1 1 19 19 PHE CB C 13 44.226 0.5 . . . . . . . 19 F CB . 27212 1 110 . 1 1 19 19 PHE CG C 13 137.587 0.5 . . . . . . . 19 F CG . 27212 1 111 . 1 1 19 19 PHE CD2 C 13 131.538 0.5 . . . . . . . 19 F CD2 . 27212 1 112 . 1 1 19 19 PHE N N 15 122.331 1.1 . . . . . . . 19 F N . 27212 1 113 . 1 1 20 20 PHE C C 13 172.544 0.5 . . . . . . . 20 F C . 27212 1 114 . 1 1 20 20 PHE CA C 13 56.646 0.5 . . . . . . . 20 F CA . 27212 1 115 . 1 1 20 20 PHE CB C 13 42.512 0.5 . . . . . . . 20 F CB . 27212 1 116 . 1 1 20 20 PHE CG C 13 138.121 0.5 . . . . . . . 20 F CG . 27212 1 117 . 1 1 20 20 PHE CD2 C 13 131.291 0.5 . . . . . . . 20 F CD2 . 27212 1 118 . 1 1 20 20 PHE N N 15 130.191 1.1 . . . . . . . 20 F N . 27212 1 119 . 1 1 21 21 ALA C C 13 175.059 0.5 . . . . . . . 21 A C . 27212 1 120 . 1 1 21 21 ALA CA C 13 49.287 0.5 . . . . . . . 21 A CA . 27212 1 121 . 1 1 21 21 ALA CB C 13 22.742 0.5 . . . . . . . 21 A CB . 27212 1 122 . 1 1 21 21 ALA N N 15 122.616 1.1 . . . . . . . 21 A N . 27212 1 123 . 1 1 22 22 GLU C C 13 173.384 0.5 . . . . . . . 22 E C . 27212 1 124 . 1 1 22 22 GLU CA C 13 54.544 0.5 . . . . . . . 22 E CA . 27212 1 125 . 1 1 22 22 GLU CB C 13 33.166 0.5 . . . . . . . 22 E CB . 27212 1 126 . 1 1 22 22 GLU CG C 13 38.157 0.5 . . . . . . . 22 E CG . 27212 1 127 . 1 1 22 22 GLU CD C 13 182.659 0.5 . . . . . . . 22 E CD . 27212 1 128 . 1 1 22 22 GLU N N 15 121.287 1.1 . . . . . . . 22 E N . 27212 1 129 . 1 1 23 23 ASP C C 13 174.110 0.5 . . . . . . . 23 D C . 27212 1 130 . 1 1 23 23 ASP CA C 13 53.810 0.5 . . . . . . . 23 D CA . 27212 1 131 . 1 1 23 23 ASP CB C 13 35.092 0.5 . . . . . . . 23 D CB . 27212 1 132 . 1 1 23 23 ASP CG C 13 177.020 0.5 . . . . . . . 23 D CG . 27212 1 133 . 1 1 23 23 ASP N N 15 126.662 1.1 . . . . . . . 23 D N . 27212 1 134 . 1 1 24 24 VAL C C 13 175.819 0.5 . . . . . . . 24 V C . 27212 1 135 . 1 1 24 24 VAL CA C 13 58.147 0.5 . . . . . . . 24 V CA . 27212 1 136 . 1 1 24 24 VAL CB C 13 36.652 0.5 . . . . . . . 24 V CB . 27212 1 137 . 1 1 24 24 VAL CG1 C 13 23.113 0.5 . . . . . . . 24 V CG1 . 27212 1 138 . 1 1 24 24 VAL CG2 C 13 21.138 0.5 . . . . . . . 24 V CG2 . 27212 1 139 . 1 1 24 24 VAL N N 15 118.851 1.1 . . . . . . . 24 V N . 27212 1 140 . 1 1 25 25 GLY C C 13 174.524 0.5 . . . . . . . 25 G C . 27212 1 141 . 1 1 25 25 GLY CA C 13 48.965 0.5 . . . . . . . 25 G CA . 27212 1 142 . 1 1 25 25 GLY N N 15 116.258 1.1 . . . . . . . 25 G N . 27212 1 143 . 1 1 26 26 SER C C 13 172.396 0.5 . . . . . . . 26 S C . 27212 1 144 . 1 1 26 26 SER CA C 13 56.505 0.5 . . . . . . . 26 S CA . 27212 1 145 . 1 1 26 26 SER CB C 13 65.801 0.5 . . . . . . . 26 S CB . 27212 1 146 . 1 1 26 26 SER N N 15 113.165 1.1 . . . . . . . 26 S N . 27212 1 147 . 1 1 27 27 ASN C C 13 175.560 0.5 . . . . . . . 27 N C . 27212 1 148 . 1 1 27 27 ASN CA C 13 52.533 0.5 . . . . . . . 27 N CA . 27212 1 149 . 1 1 27 27 ASN CB C 13 41.318 0.5 . . . . . . . 27 N CB . 27212 1 150 . 1 1 27 27 ASN CG C 13 178.136 0.5 . . . . . . . 27 N CG . 27212 1 151 . 1 1 27 27 ASN N N 15 119.758 1.1 . . . . . . . 27 N N . 27212 1 152 . 1 1 27 27 ASN ND2 N 15 109.545 1.1 . . . . . . . 27 N ND2 . 27212 1 153 . 1 1 28 28 LYS C C 13 175.369 0.5 . . . . . . . 28 K C . 27212 1 154 . 1 1 28 28 LYS CA C 13 54.854 0.5 . . . . . . . 28 K CA . 27212 1 155 . 1 1 28 28 LYS CB C 13 36.370 0.5 . . . . . . . 28 K CB . 27212 1 156 . 1 1 28 28 LYS CG C 13 25.994 0.5 . . . . . . . 28 K CG . 27212 1 157 . 1 1 28 28 LYS CD C 13 30.167 0.5 . . . . . . . 28 K CD . 27212 1 158 . 1 1 28 28 LYS CE C 13 42.159 0.5 . . . . . . . 28 K CE . 27212 1 159 . 1 1 28 28 LYS N N 15 128.556 1.1 . . . . . . . 28 K N . 27212 1 160 . 1 1 28 28 LYS NZ N 15 33.734 1.1 . . . . . . . 28 K NZ . 27212 1 161 . 1 1 29 29 GLY C C 13 170.451 0.5 . . . . . . . 29 G C . 27212 1 162 . 1 1 29 29 GLY CA C 13 44.732 0.5 . . . . . . . 29 G CA . 27212 1 163 . 1 1 29 29 GLY N N 15 111.472 1.1 . . . . . . . 29 G N . 27212 1 164 . 1 1 30 30 ALA C C 13 173.789 0.5 . . . . . . . 30 A C . 27212 1 165 . 1 1 30 30 ALA CA C 13 49.751 0.5 . . . . . . . 30 A CA . 27212 1 166 . 1 1 30 30 ALA CB C 13 23.654 0.5 . . . . . . . 30 A CB . 27212 1 167 . 1 1 30 30 ALA N N 15 120.742 1.1 . . . . . . . 30 A N . 27212 1 168 . 1 1 31 31 ILE C C 13 174.565 0.5 . . . . . . . 31 I C . 27212 1 169 . 1 1 31 31 ILE CA C 13 60.042 0.5 . . . . . . . 31 I CA . 27212 1 170 . 1 1 31 31 ILE CB C 13 40.860 0.5 . . . . . . . 31 I CB . 27212 1 171 . 1 1 31 31 ILE CG1 C 13 27.256 0.5 . . . . . . . 31 I CG1 . 27212 1 172 . 1 1 31 31 ILE CG2 C 13 17.564 0.5 . . . . . . . 31 I CG2 . 27212 1 173 . 1 1 31 31 ILE CD1 C 13 14.697 0.5 . . . . . . . 31 I CD1 . 27212 1 174 . 1 1 31 31 ILE N N 15 121.506 1.1 . . . . . . . 31 I N . 27212 1 175 . 1 1 32 32 ILE C C 13 175.984 0.5 . . . . . . . 32 I C . 27212 1 176 . 1 1 32 32 ILE CA C 13 57.463 0.5 . . . . . . . 32 I CA . 27212 1 177 . 1 1 32 32 ILE CB C 13 42.667 0.5 . . . . . . . 32 I CB . 27212 1 178 . 1 1 32 32 ILE CG1 C 13 27.005 0.5 . . . . . . . 32 I CG1 . 27212 1 179 . 1 1 32 32 ILE CG2 C 13 18.154 0.5 . . . . . . . 32 I CG2 . 27212 1 180 . 1 1 32 32 ILE CD1 C 13 15.138 0.5 . . . . . . . 32 I CD1 . 27212 1 181 . 1 1 32 32 ILE N N 15 124.960 1.1 . . . . . . . 32 I N . 27212 1 182 . 1 1 33 33 GLY CA C 13 44.632 0.5 . . . . . . . 33 G CA . 27212 1 183 . 1 1 33 33 GLY N N 15 113.715 1.1 . . . . . . . 33 G N . 27212 1 184 . 1 1 34 34 LEU C C 13 173.529 0.5 . . . . . . . 34 L C . 27212 1 185 . 1 1 34 34 LEU CA C 13 54.449 0.5 . . . . . . . 34 L CA . 27212 1 186 . 1 1 34 34 LEU CB C 13 45.481 0.5 . . . . . . . 34 L CB . 27212 1 187 . 1 1 34 34 LEU CG C 13 27.996 0.5 . . . . . . . 34 L CG . 27212 1 188 . 1 1 34 34 LEU CD1 C 13 24.184 0.5 . . . . . . . 34 L CD1 . 27212 1 189 . 1 1 34 34 LEU CD2 C 13 25.400 0.5 . . . . . . . 34 L CD2 . 27212 1 190 . 1 1 34 34 LEU N N 15 125.887 1.1 . . . . . . . 34 L N . 27212 1 191 . 1 1 35 35 MET C C 13 173.472 0.5 . . . . . . . 35 M C . 27212 1 192 . 1 1 35 35 MET CA C 13 54.310 0.5 . . . . . . . 35 M CA . 27212 1 193 . 1 1 35 35 MET CB C 13 37.352 0.5 . . . . . . . 35 M CB . 27212 1 194 . 1 1 35 35 MET CG C 13 32.296 0.5 . . . . . . . 35 M CG . 27212 1 195 . 1 1 35 35 MET CE C 13 17.285 0.5 . . . . . . . 35 M CE . 27212 1 196 . 1 1 35 35 MET N N 15 126.486 1.1 . . . . . . . 35 M N . 27212 1 197 . 1 1 36 36 VAL C C 13 175.494 0.5 . . . . . . . 36 V C . 27212 1 198 . 1 1 36 36 VAL CA C 13 60.207 0.5 . . . . . . . 36 V CA . 27212 1 199 . 1 1 36 36 VAL CB C 13 35.231 0.5 . . . . . . . 36 V CB . 27212 1 200 . 1 1 36 36 VAL CG1 C 13 19.936 0.5 . . . . . . . 36 V CG1 . 27212 1 201 . 1 1 36 36 VAL CG2 C 13 21.138 0.5 . . . . . . . 36 V CG2 . 27212 1 202 . 1 1 36 36 VAL N N 15 126.564 1.1 . . . . . . . 36 V N . 27212 1 203 . 1 1 37 37 GLY C C 13 173.110 0.5 . . . . . . . 37 G C . 27212 1 204 . 1 1 37 37 GLY CA C 13 49.077 0.5 . . . . . . . 37 G CA . 27212 1 205 . 1 1 37 37 GLY N N 15 114.600 1.1 . . . . . . . 37 G N . 27212 1 206 . 1 1 38 38 GLY C C 13 173.213 0.5 . . . . . . . 38 G C . 27212 1 207 . 1 1 38 38 GLY CA C 13 48.704 0.5 . . . . . . . 38 G CA . 27212 1 208 . 1 1 38 38 GLY N N 15 115.730 1.1 . . . . . . . 38 G N . 27212 1 209 . 1 1 39 39 VAL C C 13 173.379 0.5 . . . . . . . 39 V C . 27212 1 210 . 1 1 39 39 VAL CA C 13 60.390 0.5 . . . . . . . 39 V CA . 27212 1 211 . 1 1 39 39 VAL CB C 13 33.942 0.5 . . . . . . . 39 V CB . 27212 1 212 . 1 1 39 39 VAL CG1 C 13 21.054 0.5 . . . . . . . 39 V CG1 . 27212 1 213 . 1 1 39 39 VAL CG2 C 13 21.563 0.5 . . . . . . . 39 V CG2 . 27212 1 214 . 1 1 39 39 VAL N N 15 125.321 1.1 . . . . . . . 39 V N . 27212 1 215 . 1 1 40 40 VAL C C 13 174.025 0.5 . . . . . . . 40 V C . 27212 1 216 . 1 1 40 40 VAL CA C 13 60.359 0.5 . . . . . . . 40 V CA . 27212 1 217 . 1 1 40 40 VAL CB C 13 35.175 0.5 . . . . . . . 40 V CB . 27212 1 218 . 1 1 40 40 VAL CG1 C 13 20.331 0.5 . . . . . . . 40 V CG1 . 27212 1 219 . 1 1 40 40 VAL CG2 C 13 21.736 0.5 . . . . . . . 40 V CG2 . 27212 1 220 . 1 1 40 40 VAL N N 15 126.861 1.1 . . . . . . . 40 V N . 27212 1 221 . 1 1 41 41 ILE C C 13 175.666 0.5 . . . . . . . 41 I C . 27212 1 222 . 1 1 41 41 ILE CA C 13 59.022 0.5 . . . . . . . 41 I CA . 27212 1 223 . 1 1 41 41 ILE CB C 13 41.779 0.5 . . . . . . . 41 I CB . 27212 1 224 . 1 1 41 41 ILE CG1 C 13 27.364 0.5 . . . . . . . 41 I CG1 . 27212 1 225 . 1 1 41 41 ILE CG2 C 13 17.269 0.5 . . . . . . . 41 I CG2 . 27212 1 226 . 1 1 41 41 ILE CD1 C 13 13.381 0.5 . . . . . . . 41 I CD1 . 27212 1 227 . 1 1 41 41 ILE N N 15 126.307 1.1 . . . . . . . 41 I N . 27212 1 228 . 1 1 42 42 ALA C C 13 179.394 0.5 . . . . . . . 42 A C . 27212 1 229 . 1 1 42 42 ALA CA C 13 49.234 0.5 . . . . . . . 42 A CA . 27212 1 230 . 1 1 42 42 ALA CB C 13 21.197 0.5 . . . . . . . 42 A CB . 27212 1 231 . 1 1 42 42 ALA N N 15 126.838 1.1 . . . . . . . 42 A N . 27212 1 stop_ save_