################################### # 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 34455 _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 $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 15N-13C NCA' . . . 34455 1 2 '2D 15N-13C NCO' . . . 34455 1 3 '3D NCACX' . . . 34455 1 4 '3D NCOCX' . . . 34455 1 5 '3D NCACB' . . . 34455 1 6 '3D N(CO)CACB' . . . 34455 1 7 '3D CANCO' . . . 34455 1 8 '2D 13C 13C SHANGHAI (15-300 ms)' . . . 34455 1 9 '2D 13C-13C PDSD (400, 800 ms)' . . . 34455 1 10 '2D 13C-15N PAIN (10 ms)' . . . 34455 1 11 '2D 15N-13C NCA' . . . 34455 1 12 '2D 13C-13C DARR (100 ms)' . . . 34455 1 13 '2D 15N-13C NCA' . . . 34455 1 14 '2D 15N-13C NCO' . . . 34455 1 15 '2D 13C-13C SHANGHAI (15-300 ms)' . . . 34455 1 16 '2D 15N-13C hNhhC' . . . 34455 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 ASP C C 13 172.758 0.3 . 1 . . . . A 1 ASP C . 34455 1 2 . 1 . 1 1 1 ASP CA C 13 52.028 0.3 . 1 . . . . A 1 ASP CA . 34455 1 3 . 1 . 1 1 1 ASP CB C 13 41.529 0.3 . 1 . . . . A 1 ASP CB . 34455 1 4 . 1 . 1 1 1 ASP CG C 13 179.540 0.3 . 1 . . . . A 1 ASP CG . 34455 1 5 . 1 . 1 1 1 ASP N N 15 130.337 0.3 . 1 . . . . A 1 ASP N . 34455 1 6 . 1 . 1 2 2 ALA C C 13 174.804 0.3 . 1 . . . . A 2 ALA C . 34455 1 7 . 1 . 1 2 2 ALA CA C 13 49.036 0.3 . 1 . . . . A 2 ALA CA . 34455 1 8 . 1 . 1 2 2 ALA CB C 13 22.229 0.3 . 1 . . . . A 2 ALA CB . 34455 1 9 . 1 . 1 2 2 ALA N N 15 125.125 0.3 . 1 . . . . A 2 ALA N . 34455 1 10 . 1 . 1 3 3 GLU C C 13 172.758 0.3 . 1 . . . . A 3 GLU C . 34455 1 11 . 1 . 1 3 3 GLU CA C 13 53.639 0.3 . 1 . . . . A 3 GLU CA . 34455 1 12 . 1 . 1 3 3 GLU CB C 13 32.019 0.3 . 1 . . . . A 3 GLU CB . 34455 1 13 . 1 . 1 3 3 GLU CG C 13 34.637 0.3 . 1 . . . . A 3 GLU CG . 34455 1 14 . 1 . 1 3 3 GLU CD C 13 180.565 0.3 . 1 . . . . A 3 GLU CD . 34455 1 15 . 1 . 1 3 3 GLU N N 15 124.357 0.3 . 1 . . . . A 3 GLU N . 34455 1 16 . 1 . 1 4 4 PHE C C 13 173.990 0.3 . 1 . . . . A 4 PHE C . 34455 1 17 . 1 . 1 4 4 PHE CA C 13 57.386 0.3 . 1 . . . . A 4 PHE CA . 34455 1 18 . 1 . 1 4 4 PHE CB C 13 40.375 0.3 . 1 . . . . A 4 PHE CB . 34455 1 19 . 1 . 1 4 4 PHE CG C 13 137.523 0.3 . 1 . . . . A 4 PHE CG . 34455 1 20 . 1 . 1 4 4 PHE CD1 C 13 130.492 0.3 . 1 . . . . A 4 PHE CD1 . 34455 1 21 . 1 . 1 4 4 PHE CE1 C 13 129.683 0.3 . 1 . . . . A 4 PHE CE1 . 34455 1 22 . 1 . 1 4 4 PHE N N 15 127.610 0.3 . 1 . . . . A 4 PHE N . 34455 1 23 . 1 . 1 5 5 ARG C C 13 181.505 0.3 . 1 . . . . A 5 ARG C . 34455 1 24 . 1 . 1 5 5 ARG CA C 13 53.940 0.3 . 1 . . . . A 5 ARG CA . 34455 1 25 . 1 . 1 5 5 ARG CB C 13 35.649 0.3 . 1 . . . . A 5 ARG CB . 34455 1 26 . 1 . 1 5 5 ARG CG C 13 25.921 0.3 . 1 . . . . A 5 ARG CG . 34455 1 27 . 1 . 1 5 5 ARG CD C 13 43.008 0.3 . 1 . . . . A 5 ARG CD . 34455 1 28 . 1 . 1 5 5 ARG CZ C 13 158.633 0.3 . 1 . . . . A 5 ARG CZ . 34455 1 29 . 1 . 1 5 5 ARG N N 15 127.421 0.3 . 1 . . . . A 5 ARG N . 34455 1 30 . 1 . 1 6 6 HIS C C 13 174.291 0.3 . 1 . . . . A 6 HIS C . 34455 1 31 . 1 . 1 6 6 HIS CA C 13 53.453 0.3 . 1 . . . . A 6 HIS CA . 34455 1 32 . 1 . 1 6 6 HIS CB C 13 30.139 0.3 . 1 . . . . A 6 HIS CB . 34455 1 33 . 1 . 1 6 6 HIS CG C 13 131.642 0.3 . 1 . . . . A 6 HIS CG . 34455 1 34 . 1 . 1 6 6 HIS CD2 C 13 116.388 0.3 . 1 . . . . A 6 HIS CD2 . 34455 1 35 . 1 . 1 6 6 HIS CE1 C 13 134.609 0.3 . 1 . . . . A 6 HIS CE1 . 34455 1 36 . 1 . 1 6 6 HIS N N 15 127.638 0.3 . 1 . . . . A 6 HIS N . 34455 1 37 . 1 . 1 7 7 ASP C C 13 175.923 0.3 . 1 . . . . A 7 ASP C . 34455 1 38 . 1 . 1 7 7 ASP CA C 13 54.629 0.3 . 1 . . . . A 7 ASP CA . 34455 1 39 . 1 . 1 7 7 ASP CB C 13 38.956 0.3 . 1 . . . . A 7 ASP CB . 34455 1 40 . 1 . 1 7 7 ASP CG C 13 178.973 0.3 . 1 . . . . A 7 ASP CG . 34455 1 41 . 1 . 1 7 7 ASP N N 15 124.043 0.3 . 1 . . . . A 7 ASP N . 34455 1 42 . 1 . 1 8 8 SER C C 13 172.307 0.3 . 1 . . . . A 8 SER C . 34455 1 43 . 1 . 1 8 8 SER CA C 13 55.449 0.3 . 1 . . . . A 8 SER CA . 34455 1 44 . 1 . 1 8 8 SER CB C 13 63.447 0.3 . 1 . . . . A 8 SER CB . 34455 1 45 . 1 . 1 8 8 SER N N 15 111.244 0.3 . 1 . . . . A 8 SER N . 34455 1 46 . 1 . 1 9 9 GLY C C 13 172.482 0.3 . 1 . . . . A 9 GLY C . 34455 1 47 . 1 . 1 9 9 GLY CA C 13 42.174 0.3 . 1 . . . . A 9 GLY CA . 34455 1 48 . 1 . 1 9 9 GLY N N 15 114.288 0.3 . 1 . . . . A 9 GLY N . 34455 1 49 . 1 . 1 10 10 TYR C C 13 173.368 0.3 . 1 . . . . A 10 TYR C . 34455 1 50 . 1 . 1 10 10 TYR CA C 13 56.258 0.3 . 1 . . . . A 10 TYR CA . 34455 1 51 . 1 . 1 10 10 TYR CB C 13 34.772 0.3 . 1 . . . . A 10 TYR CB . 34455 1 52 . 1 . 1 10 10 TYR CG C 13 127.497 0.3 . 1 . . . . A 10 TYR CG . 34455 1 53 . 1 . 1 10 10 TYR CD1 C 13 132.205 0.3 . 1 . . . . A 10 TYR CD1 . 34455 1 54 . 1 . 1 10 10 TYR CE1 C 13 116.659 0.3 . 1 . . . . A 10 TYR CE1 . 34455 1 55 . 1 . 1 10 10 TYR N N 15 123.519 0.3 . 1 . . . . A 10 TYR N . 34455 1 56 . 1 . 1 11 11 GLU C C 13 172.412 0.3 . 1 . . . . A 11 GLU C . 34455 1 57 . 1 . 1 11 11 GLU CA C 13 52.995 0.3 . 1 . . . . A 11 GLU CA . 34455 1 58 . 1 . 1 11 11 GLU CB C 13 32.330 0.3 . 1 . . . . A 11 GLU CB . 34455 1 59 . 1 . 1 11 11 GLU CG C 13 33.952 0.3 . 1 . . . . A 11 GLU CG . 34455 1 60 . 1 . 1 11 11 GLU CD C 13 179.473 0.3 . 1 . . . . A 11 GLU CD . 34455 1 61 . 1 . 1 11 11 GLU N N 15 118.008 0.3 . 1 . . . . A 11 GLU N . 34455 1 62 . 1 . 1 12 12 VAL C C 13 174.191 0.3 . 1 . . . . A 12 VAL C . 34455 1 63 . 1 . 1 12 12 VAL CA C 13 60.896 0.3 . 1 . . . . A 12 VAL CA . 34455 1 64 . 1 . 1 12 12 VAL CB C 13 31.567 0.3 . 1 . . . . A 12 VAL CB . 34455 1 65 . 1 . 1 12 12 VAL CG1 C 13 19.801 0.3 . 1 . . . . A 12 VAL CG1 . 34455 1 66 . 1 . 1 12 12 VAL CG2 C 13 19.491 0.3 . 1 . . . . A 12 VAL CG2 . 34455 1 67 . 1 . 1 12 12 VAL N N 15 125.160 0.3 . 1 . . . . A 12 VAL N . 34455 1 68 . 1 . 1 13 13 HIS C C 13 175.937 0.3 . 1 . . . . A 13 HIS C . 34455 1 69 . 1 . 1 13 13 HIS CA C 13 49.744 0.3 . 1 . . . . A 13 HIS CA . 34455 1 70 . 1 . 1 13 13 HIS CB C 13 32.499 0.3 . 1 . . . . A 13 HIS CB . 34455 1 71 . 1 . 1 13 13 HIS CG C 13 137.361 0.3 . 1 . . . . A 13 HIS CG . 34455 1 72 . 1 . 1 13 13 HIS CD2 C 13 111.770 0.3 . 1 . . . . A 13 HIS CD2 . 34455 1 73 . 1 . 1 13 13 HIS CE1 C 13 138.860 0.3 . 1 . . . . A 13 HIS CE1 . 34455 1 74 . 1 . 1 13 13 HIS N N 15 125.407 0.3 . 1 . . . . A 13 HIS N . 34455 1 75 . 1 . 1 14 14 HIS C C 13 173.443 0.3 . 1 . . . . A 14 HIS C . 34455 1 76 . 1 . 1 14 14 HIS CA C 13 49.924 0.3 . 1 . . . . A 14 HIS CA . 34455 1 77 . 1 . 1 14 14 HIS CB C 13 29.325 0.3 . 1 . . . . A 14 HIS CB . 34455 1 78 . 1 . 1 14 14 HIS CG C 13 132.854 0.3 . 1 . . . . A 14 HIS CG . 34455 1 79 . 1 . 1 14 14 HIS CD2 C 13 116.084 0.3 . 1 . . . . A 14 HIS CD2 . 34455 1 80 . 1 . 1 14 14 HIS N N 15 126.220 0.3 . 1 . . . . A 14 HIS N . 34455 1 81 . 1 . 1 15 15 GLN C C 13 175.826 0.3 . 1 . . . . A 15 GLN C . 34455 1 82 . 1 . 1 15 15 GLN CA C 13 55.028 0.3 . 1 . . . . A 15 GLN CA . 34455 1 83 . 1 . 1 15 15 GLN CB C 13 34.488 0.3 . 1 . . . . A 15 GLN CB . 34455 1 84 . 1 . 1 15 15 GLN CG C 13 35.339 0.3 . 1 . . . . A 15 GLN CG . 34455 1 85 . 1 . 1 15 15 GLN CD C 13 178.891 0.3 . 1 . . . . A 15 GLN CD . 34455 1 86 . 1 . 1 15 15 GLN N N 15 118.815 0.3 . 1 . . . . A 15 GLN N . 34455 1 87 . 1 . 1 16 16 LYS C C 13 171.871 0.3 . 1 . . . . A 16 LYS C . 34455 1 88 . 1 . 1 16 16 LYS CA C 13 53.683 0.3 . 1 . . . . A 16 LYS CA . 34455 1 89 . 1 . 1 16 16 LYS CB C 13 35.768 0.3 . 1 . . . . A 16 LYS CB . 34455 1 90 . 1 . 1 16 16 LYS CG C 13 23.812 0.3 . 1 . . . . A 16 LYS CG . 34455 1 91 . 1 . 1 16 16 LYS CD C 13 29.600 0.3 . 1 . . . . A 16 LYS CD . 34455 1 92 . 1 . 1 16 16 LYS CE C 13 40.376 0.3 . 1 . . . . A 16 LYS CE . 34455 1 93 . 1 . 1 16 16 LYS N N 15 130.052 0.3 . 1 . . . . A 16 LYS N . 34455 1 94 . 1 . 1 17 17 LEU C C 13 173.705 0.3 . 1 . . . . A 17 LEU C . 34455 1 95 . 1 . 1 17 17 LEU CA C 13 53.992 0.3 . 1 . . . . A 17 LEU CA . 34455 1 96 . 1 . 1 17 17 LEU CB C 13 44.862 0.3 . 1 . . . . A 17 LEU CB . 34455 1 97 . 1 . 1 17 17 LEU CG C 13 30.089 0.3 . 1 . . . . A 17 LEU CG . 34455 1 98 . 1 . 1 17 17 LEU CD1 C 13 27.262 0.3 . 1 . . . . A 17 LEU CD1 . 34455 1 99 . 1 . 1 17 17 LEU CD2 C 13 22.391 0.3 . 1 . . . . A 17 LEU CD2 . 34455 1 100 . 1 . 1 17 17 LEU N N 15 128.999 0.3 . 1 . . . . A 17 LEU N . 34455 1 101 . 1 . 1 18 18 VAL C C 13 171.209 0.3 . 1 . . . . A 18 VAL C . 34455 1 102 . 1 . 1 18 18 VAL CA C 13 59.329 0.3 . 1 . . . . A 18 VAL CA . 34455 1 103 . 1 . 1 18 18 VAL CB C 13 34.468 0.3 . 1 . . . . A 18 VAL CB . 34455 1 104 . 1 . 1 18 18 VAL CG1 C 13 21.822 0.3 . 1 . . . . A 18 VAL CG1 . 34455 1 105 . 1 . 1 18 18 VAL CG2 C 13 19.212 0.3 . 1 . . . . A 18 VAL CG2 . 34455 1 106 . 1 . 1 18 18 VAL N N 15 121.497 0.3 . 1 . . . . A 18 VAL N . 34455 1 107 . 1 . 1 19 19 PHE C C 13 173.517 0.3 . 1 . . . . A 19 PHE C . 34455 1 108 . 1 . 1 19 19 PHE CA C 13 51.074 0.3 . 1 . . . . A 19 PHE CA . 34455 1 109 . 1 . 1 19 19 PHE CB C 13 40.247 0.3 . 1 . . . . A 19 PHE CB . 34455 1 110 . 1 . 1 19 19 PHE CG C 13 137.889 0.3 . 1 . . . . A 19 PHE CG . 34455 1 111 . 1 . 1 19 19 PHE CD1 C 13 130.094 0.3 . 1 . . . . A 19 PHE CD1 . 34455 1 112 . 1 . 1 19 19 PHE CE1 C 13 128.931 0.3 . 1 . . . . A 19 PHE CE1 . 34455 1 113 . 1 . 1 19 19 PHE CZ C 13 125.775 0.3 . 1 . . . . A 19 PHE CZ . 34455 1 114 . 1 . 1 19 19 PHE N N 15 129.196 0.3 . 1 . . . . A 19 PHE N . 34455 1 115 . 1 . 1 20 20 PHE C C 13 172.056 0.3 . 1 . . . . A 20 PHE C . 34455 1 116 . 1 . 1 20 20 PHE CA C 13 51.053 0.3 . 1 . . . . A 20 PHE CA . 34455 1 117 . 1 . 1 20 20 PHE CB C 13 39.620 0.3 . 1 . . . . A 20 PHE CB . 34455 1 118 . 1 . 1 20 20 PHE CG C 13 137.825 0.3 . 1 . . . . A 20 PHE CG . 34455 1 119 . 1 . 1 20 20 PHE CD1 C 13 130.185 0.3 . 1 . . . . A 20 PHE CD1 . 34455 1 120 . 1 . 1 20 20 PHE CE1 C 13 128.418 0.3 . 1 . . . . A 20 PHE CE1 . 34455 1 121 . 1 . 1 20 20 PHE CZ C 13 125.659 0.3 . 1 . . . . A 20 PHE CZ . 34455 1 122 . 1 . 1 20 20 PHE N N 15 126.935 0.3 . 1 . . . . A 20 PHE N . 34455 1 123 . 1 . 1 21 21 ALA C C 13 172.583 0.3 . 1 . . . . A 21 ALA C . 34455 1 124 . 1 . 1 21 21 ALA CA C 13 48.681 0.3 . 1 . . . . A 21 ALA CA . 34455 1 125 . 1 . 1 21 21 ALA CB C 13 20.370 0.3 . 1 . . . . A 21 ALA CB . 34455 1 126 . 1 . 1 21 21 ALA N N 15 125.938 0.3 . 1 . . . . A 21 ALA N . 34455 1 127 . 1 . 1 22 22 GLU C C 13 174.354 0.3 . 1 . . . . A 22 GLU C . 34455 1 128 . 1 . 1 22 22 GLU CA C 13 52.513 0.3 . 1 . . . . A 22 GLU CA . 34455 1 129 . 1 . 1 22 22 GLU CB C 13 34.189 0.3 . 1 . . . . A 22 GLU CB . 34455 1 130 . 1 . 1 22 22 GLU CG C 13 35.508 0.3 . 1 . . . . A 22 GLU CG . 34455 1 131 . 1 . 1 22 22 GLU CD C 13 182.622 0.3 . 1 . . . . A 22 GLU CD . 34455 1 132 . 1 . 1 22 22 GLU N N 15 123.795 0.3 . 1 . . . . A 22 GLU N . 34455 1 133 . 1 . 1 23 23 ASP C C 13 173.308 0.3 . 1 . . . . A 23 ASP C . 34455 1 134 . 1 . 1 23 23 ASP CA C 13 53.678 0.3 . 1 . . . . A 23 ASP CA . 34455 1 135 . 1 . 1 23 23 ASP CB C 13 36.252 0.3 . 1 . . . . A 23 ASP CB . 34455 1 136 . 1 . 1 23 23 ASP CG C 13 179.892 0.3 . 1 . . . . A 23 ASP CG . 34455 1 137 . 1 . 1 23 23 ASP N N 15 123.983 0.3 . 1 . . . . A 23 ASP N . 34455 1 138 . 1 . 1 24 24 VAL C C 13 173.837 0.3 . 1 . . . . A 24 VAL C . 34455 1 139 . 1 . 1 24 24 VAL CA C 13 59.353 0.3 . 1 . . . . A 24 VAL CA . 34455 1 140 . 1 . 1 24 24 VAL CB C 13 31.885 0.3 . 1 . . . . A 24 VAL CB . 34455 1 141 . 1 . 1 24 24 VAL CG1 C 13 21.446 0.3 . 1 . . . . A 24 VAL CG1 . 34455 1 142 . 1 . 1 24 24 VAL CG2 C 13 19.967 0.3 . 1 . . . . A 24 VAL CG2 . 34455 1 143 . 1 . 1 24 24 VAL N N 15 123.724 0.3 . 1 . . . . A 24 VAL N . 34455 1 144 . 1 . 1 25 25 GLY C C 13 172.426 0.3 . 1 . . . . A 25 GLY C . 34455 1 145 . 1 . 1 25 25 GLY CA C 13 44.868 0.3 . 1 . . . . A 25 GLY CA . 34455 1 146 . 1 . 1 25 25 GLY N N 15 112.764 0.3 . 1 . . . . A 25 GLY N . 34455 1 147 . 1 . 1 26 26 SER C C 13 172.492 0.3 . 1 . . . . A 26 SER C . 34455 1 148 . 1 . 1 26 26 SER CA C 13 58.369 0.3 . 1 . . . . A 26 SER CA . 34455 1 149 . 1 . 1 26 26 SER CB C 13 59.798 0.3 . 1 . . . . A 26 SER CB . 34455 1 150 . 1 . 1 26 26 SER N N 15 107.839 0.3 . 1 . . . . A 26 SER N . 34455 1 151 . 1 . 1 27 27 ASN C C 13 171.298 0.3 . 1 . . . . A 27 ASN C . 34455 1 152 . 1 . 1 27 27 ASN CA C 13 52.839 0.3 . 1 . . . . A 27 ASN CA . 34455 1 153 . 1 . 1 27 27 ASN CB C 13 39.615 0.3 . 1 . . . . A 27 ASN CB . 34455 1 154 . 1 . 1 27 27 ASN N N 15 118.107 0.3 . 1 . . . . A 27 ASN N . 34455 1 155 . 1 . 1 28 28 LYS C C 13 175.144 0.3 . 1 . . . . A 28 LYS C . 34455 1 156 . 1 . 1 28 28 LYS CA C 13 53.308 0.3 . 1 . . . . A 28 LYS CA . 34455 1 157 . 1 . 1 28 28 LYS CB C 13 34.080 0.3 . 1 . . . . A 28 LYS CB . 34455 1 158 . 1 . 1 28 28 LYS CG C 13 24.371 0.3 . 1 . . . . A 28 LYS CG . 34455 1 159 . 1 . 1 28 28 LYS CD C 13 28.934 0.3 . 1 . . . . A 28 LYS CD . 34455 1 160 . 1 . 1 28 28 LYS CE C 13 41.088 0.3 . 1 . . . . A 28 LYS CE . 34455 1 161 . 1 . 1 28 28 LYS N N 15 123.135 0.3 . 1 . . . . A 28 LYS N . 34455 1 162 . 1 . 1 29 29 GLY C C 13 171.043 0.3 . 1 . . . . A 29 GLY C . 34455 1 163 . 1 . 1 29 29 GLY CA C 13 46.933 0.3 . 1 . . . . A 29 GLY CA . 34455 1 164 . 1 . 1 29 29 GLY N N 15 118.206 0.3 . 1 . . . . A 29 GLY N . 34455 1 165 . 1 . 1 30 30 ALA C C 13 173.984 0.3 . 1 . . . . A 30 ALA C . 34455 1 166 . 1 . 1 30 30 ALA CA C 13 48.869 0.3 . 1 . . . . A 30 ALA CA . 34455 1 167 . 1 . 1 30 30 ALA CB C 13 21.340 0.3 . 1 . . . . A 30 ALA CB . 34455 1 168 . 1 . 1 30 30 ALA N N 15 120.294 0.3 . 1 . . . . A 30 ALA N . 34455 1 169 . 1 . 1 31 31 ILE C C 13 173.034 0.3 . 1 . . . . A 31 ILE C . 34455 1 170 . 1 . 1 31 31 ILE CA C 13 59.129 0.3 . 1 . . . . A 31 ILE CA . 34455 1 171 . 1 . 1 31 31 ILE CB C 13 39.927 0.3 . 1 . . . . A 31 ILE CB . 34455 1 172 . 1 . 1 31 31 ILE CG1 C 13 26.250 0.3 . 1 . . . . A 31 ILE CG1 . 34455 1 173 . 1 . 1 31 31 ILE CG2 C 13 16.366 0.3 . 1 . . . . A 31 ILE CG2 . 34455 1 174 . 1 . 1 31 31 ILE CD1 C 13 12.497 0.3 . 1 . . . . A 31 ILE CD1 . 34455 1 175 . 1 . 1 31 31 ILE N N 15 121.100 0.3 . 1 . . . . A 31 ILE N . 34455 1 176 . 1 . 1 32 32 ILE C C 13 173.892 0.3 . 1 . . . . A 32 ILE C . 34455 1 177 . 1 . 1 32 32 ILE CA C 13 57.510 0.3 . 1 . . . . A 32 ILE CA . 34455 1 178 . 1 . 1 32 32 ILE CB C 13 39.951 0.3 . 1 . . . . A 32 ILE CB . 34455 1 179 . 1 . 1 32 32 ILE CG1 C 13 26.171 0.3 . 1 . . . . A 32 ILE CG1 . 34455 1 180 . 1 . 1 32 32 ILE CG2 C 13 15.214 0.3 . 1 . . . . A 32 ILE CG2 . 34455 1 181 . 1 . 1 32 32 ILE CD1 C 13 13.419 0.3 . 1 . . . . A 32 ILE CD1 . 34455 1 182 . 1 . 1 32 32 ILE N N 15 127.838 0.3 . 1 . . . . A 32 ILE N . 34455 1 183 . 1 . 1 33 33 GLY C C 13 174.011 0.3 . 1 . . . . A 33 GLY C . 34455 1 184 . 1 . 1 33 33 GLY CA C 13 47.142 0.3 . 1 . . . . A 33 GLY CA . 34455 1 185 . 1 . 1 33 33 GLY N N 15 116.193 0.3 . 1 . . . . A 33 GLY N . 34455 1 186 . 1 . 1 34 34 LEU C C 13 173.789 0.3 . 1 . . . . A 34 LEU C . 34455 1 187 . 1 . 1 34 34 LEU CA C 13 53.171 0.3 . 1 . . . . A 34 LEU CA . 34455 1 188 . 1 . 1 34 34 LEU CB C 13 41.295 0.3 . 1 . . . . A 34 LEU CB . 34455 1 189 . 1 . 1 34 34 LEU CG C 13 28.150 0.3 . 1 . . . . A 34 LEU CG . 34455 1 190 . 1 . 1 34 34 LEU CD1 C 13 26.592 0.3 . 1 . . . . A 34 LEU CD1 . 34455 1 191 . 1 . 1 34 34 LEU CD2 C 13 21.592 0.3 . 1 . . . . A 34 LEU CD2 . 34455 1 192 . 1 . 1 34 34 LEU N N 15 126.723 0.3 . 1 . . . . A 34 LEU N . 34455 1 193 . 1 . 1 35 35 MET C C 13 172.302 0.3 . 1 . . . . A 35 MET C . 34455 1 194 . 1 . 1 35 35 MET CA C 13 52.387 0.3 . 1 . . . . A 35 MET CA . 34455 1 195 . 1 . 1 35 35 MET CB C 13 38.330 0.3 . 1 . . . . A 35 MET CB . 34455 1 196 . 1 . 1 35 35 MET CG C 13 29.790 0.3 . 1 . . . . A 35 MET CG . 34455 1 197 . 1 . 1 35 35 MET CE C 13 15.627 0.3 . 1 . . . . A 35 MET CE . 34455 1 198 . 1 . 1 35 35 MET N N 15 123.314 0.3 . 1 . . . . A 35 MET N . 34455 1 199 . 1 . 1 36 36 VAL C C 13 174.463 0.3 . 1 . . . . A 36 VAL C . 34455 1 200 . 1 . 1 36 36 VAL CA C 13 57.912 0.3 . 1 . . . . A 36 VAL CA . 34455 1 201 . 1 . 1 36 36 VAL CB C 13 34.699 0.3 . 1 . . . . A 36 VAL CB . 34455 1 202 . 1 . 1 36 36 VAL CG1 C 13 18.423 0.3 . 1 . . . . A 36 VAL CG1 . 34455 1 203 . 1 . 1 36 36 VAL CG2 C 13 18.342 0.3 . 1 . . . . A 36 VAL CG2 . 34455 1 204 . 1 . 1 36 36 VAL N N 15 122.041 0.3 . 1 . . . . A 36 VAL N . 34455 1 205 . 1 . 1 37 37 GLY C C 13 170.081 0.3 . 1 . . . . A 37 GLY C . 34455 1 206 . 1 . 1 37 37 GLY CA C 13 47.559 0.3 . 1 . . . . A 37 GLY CA . 34455 1 207 . 1 . 1 37 37 GLY N N 15 115.392 0.3 . 1 . . . . A 37 GLY N . 34455 1 208 . 1 . 1 38 38 GLY C C 13 171.035 0.3 . 1 . . . . A 38 GLY C . 34455 1 209 . 1 . 1 38 38 GLY CA C 13 42.871 0.3 . 1 . . . . A 38 GLY CA . 34455 1 210 . 1 . 1 38 38 GLY N N 15 104.780 0.3 . 1 . . . . A 38 GLY N . 34455 1 211 . 1 . 1 39 39 VAL C C 13 172.302 0.3 . 1 . . . . A 39 VAL C . 34455 1 212 . 1 . 1 39 39 VAL CA C 13 59.947 0.3 . 1 . . . . A 39 VAL CA . 34455 1 213 . 1 . 1 39 39 VAL CB C 13 34.146 0.3 . 1 . . . . A 39 VAL CB . 34455 1 214 . 1 . 1 39 39 VAL CG1 C 13 19.346 0.3 . 1 . . . . A 39 VAL CG1 . 34455 1 215 . 1 . 1 39 39 VAL CG2 C 13 18.418 0.3 . 1 . . . . A 39 VAL CG2 . 34455 1 216 . 1 . 1 39 39 VAL N N 15 125.953 0.3 . 1 . . . . A 39 VAL N . 34455 1 217 . 1 . 1 40 40 VAL C C 13 179.258 0.3 . 1 . . . . A 40 VAL C . 34455 1 218 . 1 . 1 40 40 VAL CA C 13 60.181 0.3 . 1 . . . . A 40 VAL CA . 34455 1 219 . 1 . 1 40 40 VAL CB C 13 33.481 0.3 . 1 . . . . A 40 VAL CB . 34455 1 220 . 1 . 1 40 40 VAL CG1 C 13 22.431 0.3 . 1 . . . . A 40 VAL CG1 . 34455 1 221 . 1 . 1 40 40 VAL CG2 C 13 22.138 0.3 . 1 . . . . A 40 VAL CG2 . 34455 1 222 . 1 . 1 40 40 VAL N N 15 130.901 0.3 . 1 . . . . A 40 VAL N . 34455 1 223 . 9 . 2 1 1 ASP C C 13 172.890 0.3 . 1 . . . . B 1 ASP C . 34455 1 224 . 9 . 2 1 1 ASP CA C 13 52.055 0.3 . 1 . . . . B 1 ASP CA . 34455 1 225 . 9 . 2 1 1 ASP CB C 13 41.282 0.3 . 1 . . . . B 1 ASP CB . 34455 1 226 . 9 . 2 1 1 ASP CG C 13 179.679 0.3 . 1 . . . . B 1 ASP CG . 34455 1 227 . 9 . 2 1 1 ASP N N 15 130.269 0.3 . 1 . . . . B 1 ASP N . 34455 1 228 . 9 . 2 2 2 ALA C C 13 174.880 0.3 . 1 . . . . B 2 ALA C . 34455 1 229 . 9 . 2 2 2 ALA CA C 13 48.888 0.3 . 1 . . . . B 2 ALA CA . 34455 1 230 . 9 . 2 2 2 ALA CB C 13 22.186 0.3 . 1 . . . . B 2 ALA CB . 34455 1 231 . 9 . 2 2 2 ALA N N 15 125.125 0.3 . 1 . . . . B 2 ALA N . 34455 1 232 . 9 . 2 3 3 GLU C C 13 172.758 0.3 . 1 . . . . B 3 GLU C . 34455 1 233 . 9 . 2 3 3 GLU CA C 13 53.565 0.3 . 1 . . . . B 3 GLU CA . 34455 1 234 . 9 . 2 3 3 GLU CB C 13 32.068 0.3 . 1 . . . . B 3 GLU CB . 34455 1 235 . 9 . 2 3 3 GLU CG C 13 34.637 0.3 . 1 . . . . B 3 GLU CG . 34455 1 236 . 9 . 2 3 3 GLU CD C 13 180.565 0.3 . 1 . . . . B 3 GLU CD . 34455 1 237 . 9 . 2 3 3 GLU N N 15 124.357 0.3 . 1 . . . . B 3 GLU N . 34455 1 238 . 9 . 2 4 4 PHE C C 13 173.990 0.3 . 1 . . . . B 4 PHE C . 34455 1 239 . 9 . 2 4 4 PHE CA C 13 57.410 0.3 . 1 . . . . B 4 PHE CA . 34455 1 240 . 9 . 2 4 4 PHE CB C 13 40.328 0.3 . 1 . . . . B 4 PHE CB . 34455 1 241 . 9 . 2 4 4 PHE CG C 13 137.360 0.3 . 1 . . . . B 4 PHE CG . 34455 1 242 . 9 . 2 4 4 PHE CD1 C 13 130.867 0.3 . 1 . . . . B 4 PHE CD1 . 34455 1 243 . 9 . 2 4 4 PHE CE1 C 13 129.680 0.3 . 1 . . . . B 4 PHE CE1 . 34455 1 244 . 9 . 2 4 4 PHE N N 15 127.582 0.3 . 1 . . . . B 4 PHE N . 34455 1 245 . 9 . 2 5 5 ARG C C 13 181.482 0.3 . 1 . . . . B 5 ARG C . 34455 1 246 . 9 . 2 5 5 ARG CA C 13 54.184 0.3 . 1 . . . . B 5 ARG CA . 34455 1 247 . 9 . 2 5 5 ARG CB C 13 35.744 0.3 . 1 . . . . B 5 ARG CB . 34455 1 248 . 9 . 2 5 5 ARG CG C 13 25.932 0.3 . 1 . . . . B 5 ARG CG . 34455 1 249 . 9 . 2 5 5 ARG CD C 13 42.949 0.3 . 1 . . . . B 5 ARG CD . 34455 1 250 . 9 . 2 5 5 ARG CZ C 13 158.605 0.3 . 1 . . . . B 5 ARG CZ . 34455 1 251 . 9 . 2 5 5 ARG N N 15 127.456 0.3 . 1 . . . . B 5 ARG N . 34455 1 252 . 9 . 2 6 6 HIS C C 13 173.952 0.3 . 1 . . . . B 6 HIS C . 34455 1 253 . 9 . 2 6 6 HIS CA C 13 53.157 0.3 . 1 . . . . B 6 HIS CA . 34455 1 254 . 9 . 2 6 6 HIS CB C 13 29.918 0.3 . 1 . . . . B 6 HIS CB . 34455 1 255 . 9 . 2 6 6 HIS CG C 13 132.086 0.3 . 1 . . . . B 6 HIS CG . 34455 1 256 . 9 . 2 6 6 HIS CD2 C 13 116.231 0.3 . 1 . . . . B 6 HIS CD2 . 34455 1 257 . 9 . 2 6 6 HIS CE1 C 13 134.852 0.3 . 1 . . . . B 6 HIS CE1 . 34455 1 258 . 9 . 2 6 6 HIS N N 15 127.688 0.3 . 1 . . . . B 6 HIS N . 34455 1 259 . 9 . 2 7 7 ASP C C 13 176.164 0.3 . 1 . . . . B 7 ASP C . 34455 1 260 . 9 . 2 7 7 ASP CA C 13 54.758 0.3 . 1 . . . . B 7 ASP CA . 34455 1 261 . 9 . 2 7 7 ASP CB C 13 38.956 0.3 . 1 . . . . B 7 ASP CB . 34455 1 262 . 9 . 2 7 7 ASP CG C 13 178.658 0.3 . 1 . . . . B 7 ASP CG . 34455 1 263 . 9 . 2 7 7 ASP N N 15 124.000 0.3 . 1 . . . . B 7 ASP N . 34455 1 264 . 9 . 2 8 8 SER C C 13 172.307 0.3 . 1 . . . . B 8 SER C . 34455 1 265 . 9 . 2 8 8 SER CA C 13 55.502 0.3 . 1 . . . . B 8 SER CA . 34455 1 266 . 9 . 2 8 8 SER CB C 13 63.456 0.3 . 1 . . . . B 8 SER CB . 34455 1 267 . 9 . 2 8 8 SER N N 15 111.463 0.3 . 1 . . . . B 8 SER N . 34455 1 268 . 9 . 2 9 9 GLY C C 13 172.482 0.3 . 1 . . . . B 9 GLY C . 34455 1 269 . 9 . 2 9 9 GLY CA C 13 42.174 0.3 . 1 . . . . B 9 GLY CA . 34455 1 270 . 9 . 2 9 9 GLY N N 15 114.288 0.3 . 1 . . . . B 9 GLY N . 34455 1 271 . 9 . 2 10 10 TYR C C 13 173.536 0.3 . 1 . . . . B 10 TYR C . 34455 1 272 . 9 . 2 10 10 TYR CA C 13 56.052 0.3 . 1 . . . . B 10 TYR CA . 34455 1 273 . 9 . 2 10 10 TYR CB C 13 34.822 0.3 . 1 . . . . B 10 TYR CB . 34455 1 274 . 9 . 2 10 10 TYR CG C 13 127.481 0.3 . 1 . . . . B 10 TYR CG . 34455 1 275 . 9 . 2 10 10 TYR CD1 C 13 132.898 0.3 . 1 . . . . B 10 TYR CD1 . 34455 1 276 . 9 . 2 10 10 TYR CE1 C 13 116.659 0.3 . 1 . . . . B 10 TYR CE1 . 34455 1 277 . 9 . 2 10 10 TYR N N 15 123.505 0.3 . 1 . . . . B 10 TYR N . 34455 1 278 . 9 . 2 11 11 GLU C C 13 172.543 0.3 . 1 . . . . B 11 GLU C . 34455 1 279 . 9 . 2 11 11 GLU CA C 13 53.046 0.3 . 1 . . . . B 11 GLU CA . 34455 1 280 . 9 . 2 11 11 GLU CB C 13 31.815 0.3 . 1 . . . . B 11 GLU CB . 34455 1 281 . 9 . 2 11 11 GLU CG C 13 33.861 0.3 . 1 . . . . B 11 GLU CG . 34455 1 282 . 9 . 2 11 11 GLU CD C 13 179.512 0.3 . 1 . . . . B 11 GLU CD . 34455 1 283 . 9 . 2 11 11 GLU N N 15 118.133 0.3 . 1 . . . . B 11 GLU N . 34455 1 284 . 9 . 2 12 12 VAL C C 13 174.158 0.3 . 1 . . . . B 12 VAL C . 34455 1 285 . 9 . 2 12 12 VAL CA C 13 60.992 0.3 . 1 . . . . B 12 VAL CA . 34455 1 286 . 9 . 2 12 12 VAL CB C 13 31.738 0.3 . 1 . . . . B 12 VAL CB . 34455 1 287 . 9 . 2 12 12 VAL CG1 C 13 19.809 0.3 . 1 . . . . B 12 VAL CG1 . 34455 1 288 . 9 . 2 12 12 VAL CG2 C 13 19.491 0.3 . 1 . . . . B 12 VAL CG2 . 34455 1 289 . 9 . 2 12 12 VAL N N 15 125.423 0.3 . 1 . . . . B 12 VAL N . 34455 1 290 . 9 . 2 13 13 HIS C C 13 176.047 0.3 . 1 . . . . B 13 HIS C . 34455 1 291 . 9 . 2 13 13 HIS CA C 13 49.765 0.3 . 1 . . . . B 13 HIS CA . 34455 1 292 . 9 . 2 13 13 HIS CB C 13 32.204 0.3 . 1 . . . . B 13 HIS CB . 34455 1 293 . 9 . 2 13 13 HIS CG C 13 137.554 0.3 . 1 . . . . B 13 HIS CG . 34455 1 294 . 9 . 2 13 13 HIS CD2 C 13 111.924 0.3 . 1 . . . . B 13 HIS CD2 . 34455 1 295 . 9 . 2 13 13 HIS CE1 C 13 138.921 0.3 . 1 . . . . B 13 HIS CE1 . 34455 1 296 . 9 . 2 13 13 HIS N N 15 125.407 0.3 . 1 . . . . B 13 HIS N . 34455 1 297 . 9 . 2 14 14 HIS C C 13 173.529 0.3 . 1 . . . . B 14 HIS C . 34455 1 298 . 9 . 2 14 14 HIS CA C 13 50.002 0.3 . 1 . . . . B 14 HIS CA . 34455 1 299 . 9 . 2 14 14 HIS CB C 13 29.146 0.3 . 1 . . . . B 14 HIS CB . 34455 1 300 . 9 . 2 14 14 HIS CG C 13 132.667 0.3 . 1 . . . . B 14 HIS CG . 34455 1 301 . 9 . 2 14 14 HIS CD2 C 13 116.554 0.3 . 1 . . . . B 14 HIS CD2 . 34455 1 302 . 9 . 2 14 14 HIS N N 15 126.243 0.3 . 1 . . . . B 14 HIS N . 34455 1 303 . 9 . 2 15 15 GLN C C 13 175.614 0.3 . 1 . . . . B 15 GLN C . 34455 1 304 . 9 . 2 15 15 GLN CA C 13 55.415 0.3 . 1 . . . . B 15 GLN CA . 34455 1 305 . 9 . 2 15 15 GLN CB C 13 34.357 0.3 . 1 . . . . B 15 GLN CB . 34455 1 306 . 9 . 2 15 15 GLN CG C 13 35.339 0.3 . 1 . . . . B 15 GLN CG . 34455 1 307 . 9 . 2 15 15 GLN CD C 13 179.181 0.3 . 1 . . . . B 15 GLN CD . 34455 1 308 . 9 . 2 15 15 GLN N N 15 118.093 0.3 . 1 . . . . B 15 GLN N . 34455 1 309 . 9 . 2 16 16 LYS C C 13 172.073 0.3 . 1 . . . . B 16 LYS C . 34455 1 310 . 9 . 2 16 16 LYS CA C 13 53.715 0.3 . 1 . . . . B 16 LYS CA . 34455 1 311 . 9 . 2 16 16 LYS CB C 13 35.137 0.3 . 1 . . . . B 16 LYS CB . 34455 1 312 . 9 . 2 16 16 LYS CG C 13 24.208 0.3 . 1 . . . . B 16 LYS CG . 34455 1 313 . 9 . 2 16 16 LYS CD C 13 28.992 0.3 . 1 . . . . B 16 LYS CD . 34455 1 314 . 9 . 2 16 16 LYS CE C 13 40.355 0.3 . 1 . . . . B 16 LYS CE . 34455 1 315 . 9 . 2 16 16 LYS N N 15 130.276 0.3 . 1 . . . . B 16 LYS N . 34455 1 316 . 9 . 2 17 17 LEU C C 13 173.739 0.3 . 1 . . . . B 17 LEU C . 34455 1 317 . 9 . 2 17 17 LEU CA C 13 53.866 0.3 . 1 . . . . B 17 LEU CA . 34455 1 318 . 9 . 2 17 17 LEU CB C 13 44.795 0.3 . 1 . . . . B 17 LEU CB . 34455 1 319 . 9 . 2 17 17 LEU CG C 13 30.108 0.3 . 1 . . . . B 17 LEU CG . 34455 1 320 . 9 . 2 17 17 LEU CD1 C 13 27.183 0.3 . 1 . . . . B 17 LEU CD1 . 34455 1 321 . 9 . 2 17 17 LEU CD2 C 13 22.335 0.3 . 1 . . . . B 17 LEU CD2 . 34455 1 322 . 9 . 2 17 17 LEU N N 15 128.999 0.3 . 1 . . . . B 17 LEU N . 34455 1 323 . 9 . 2 18 18 VAL C C 13 171.740 0.3 . 1 . . . . B 18 VAL C . 34455 1 324 . 9 . 2 18 18 VAL CA C 13 59.441 0.3 . 1 . . . . B 18 VAL CA . 34455 1 325 . 9 . 2 18 18 VAL CB C 13 34.568 0.3 . 1 . . . . B 18 VAL CB . 34455 1 326 . 9 . 2 18 18 VAL CG1 C 13 21.863 0.3 . 1 . . . . B 18 VAL CG1 . 34455 1 327 . 9 . 2 18 18 VAL CG2 C 13 19.016 0.3 . 1 . . . . B 18 VAL CG2 . 34455 1 328 . 9 . 2 18 18 VAL N N 15 121.523 0.3 . 1 . . . . B 18 VAL N . 34455 1 329 . 9 . 2 19 19 PHE C C 13 173.657 0.3 . 1 . . . . B 19 PHE C . 34455 1 330 . 9 . 2 19 19 PHE CA C 13 51.134 0.3 . 1 . . . . B 19 PHE CA . 34455 1 331 . 9 . 2 19 19 PHE CB C 13 40.092 0.3 . 1 . . . . B 19 PHE CB . 34455 1 332 . 9 . 2 19 19 PHE CG C 13 137.920 0.3 . 1 . . . . B 19 PHE CG . 34455 1 333 . 9 . 2 19 19 PHE CD1 C 13 130.376 0.3 . 1 . . . . B 19 PHE CD1 . 34455 1 334 . 9 . 2 19 19 PHE CE1 C 13 128.361 0.3 . 1 . . . . B 19 PHE CE1 . 34455 1 335 . 9 . 2 19 19 PHE CZ C 13 125.548 0.3 . 1 . . . . B 19 PHE CZ . 34455 1 336 . 9 . 2 19 19 PHE N N 15 129.284 0.3 . 1 . . . . B 19 PHE N . 34455 1 337 . 9 . 2 20 20 PHE C C 13 172.259 0.3 . 1 . . . . B 20 PHE C . 34455 1 338 . 9 . 2 20 20 PHE CA C 13 51.095 0.3 . 1 . . . . B 20 PHE CA . 34455 1 339 . 9 . 2 20 20 PHE CB C 13 39.532 0.3 . 1 . . . . B 20 PHE CB . 34455 1 340 . 9 . 2 20 20 PHE CG C 13 137.701 0.3 . 1 . . . . B 20 PHE CG . 34455 1 341 . 9 . 2 20 20 PHE CD1 C 13 129.647 0.3 . 1 . . . . B 20 PHE CD1 . 34455 1 342 . 9 . 2 20 20 PHE CE1 C 13 128.360 0.3 . 1 . . . . B 20 PHE CE1 . 34455 1 343 . 9 . 2 20 20 PHE CZ C 13 125.561 0.3 . 1 . . . . B 20 PHE CZ . 34455 1 344 . 9 . 2 20 20 PHE N N 15 127.228 0.3 . 1 . . . . B 20 PHE N . 34455 1 345 . 9 . 2 21 21 ALA C C 13 172.583 0.3 . 1 . . . . B 21 ALA C . 34455 1 346 . 9 . 2 21 21 ALA CA C 13 48.733 0.3 . 1 . . . . B 21 ALA CA . 34455 1 347 . 9 . 2 21 21 ALA CB C 13 20.378 0.3 . 1 . . . . B 21 ALA CB . 34455 1 348 . 9 . 2 21 21 ALA N N 15 125.984 0.3 . 1 . . . . B 21 ALA N . 34455 1 349 . 9 . 2 22 22 GLU C C 13 174.354 0.3 . 1 . . . . B 22 GLU C . 34455 1 350 . 9 . 2 22 22 GLU CA C 13 52.495 0.3 . 1 . . . . B 22 GLU CA . 34455 1 351 . 9 . 2 22 22 GLU CB C 13 34.397 0.3 . 1 . . . . B 22 GLU CB . 34455 1 352 . 9 . 2 22 22 GLU CG C 13 35.564 0.3 . 1 . . . . B 22 GLU CG . 34455 1 353 . 9 . 2 22 22 GLU CD C 13 182.579 0.3 . 1 . . . . B 22 GLU CD . 34455 1 354 . 9 . 2 22 22 GLU N N 15 123.795 0.3 . 1 . . . . B 22 GLU N . 34455 1 355 . 9 . 2 23 23 ASP C C 13 173.432 0.3 . 1 . . . . B 23 ASP C . 34455 1 356 . 9 . 2 23 23 ASP CA C 13 53.757 0.3 . 1 . . . . B 23 ASP CA . 34455 1 357 . 9 . 2 23 23 ASP CB C 13 36.174 0.3 . 1 . . . . B 23 ASP CB . 34455 1 358 . 9 . 2 23 23 ASP CG C 13 179.792 0.3 . 1 . . . . B 23 ASP CG . 34455 1 359 . 9 . 2 23 23 ASP N N 15 123.983 0.3 . 1 . . . . B 23 ASP N . 34455 1 360 . 9 . 2 24 24 VAL C C 13 173.837 0.3 . 1 . . . . B 24 VAL C . 34455 1 361 . 9 . 2 24 24 VAL CA C 13 59.481 0.3 . 1 . . . . B 24 VAL CA . 34455 1 362 . 9 . 2 24 24 VAL CB C 13 31.889 0.3 . 1 . . . . B 24 VAL CB . 34455 1 363 . 9 . 2 24 24 VAL CG1 C 13 21.226 0.3 . 1 . . . . B 24 VAL CG1 . 34455 1 364 . 9 . 2 24 24 VAL CG2 C 13 20.032 0.3 . 1 . . . . B 24 VAL CG2 . 34455 1 365 . 9 . 2 24 24 VAL N N 15 123.745 0.3 . 1 . . . . B 24 VAL N . 34455 1 366 . 9 . 2 25 25 GLY C C 13 172.426 0.3 . 1 . . . . B 25 GLY C . 34455 1 367 . 9 . 2 25 25 GLY CA C 13 44.905 0.3 . 1 . . . . B 25 GLY CA . 34455 1 368 . 9 . 2 25 25 GLY N N 15 113.179 0.3 . 1 . . . . B 25 GLY N . 34455 1 369 . 9 . 2 26 26 SER C C 13 172.492 0.3 . 1 . . . . B 26 SER C . 34455 1 370 . 9 . 2 26 26 SER CA C 13 58.520 0.3 . 1 . . . . B 26 SER CA . 34455 1 371 . 9 . 2 26 26 SER CB C 13 59.798 0.3 . 1 . . . . B 26 SER CB . 34455 1 372 . 9 . 2 26 26 SER N N 15 107.839 0.3 . 1 . . . . B 26 SER N . 34455 1 373 . 9 . 2 27 27 ASN C C 13 171.222 0.3 . 1 . . . . B 27 ASN C . 34455 1 374 . 9 . 2 27 27 ASN CA C 13 52.820 0.3 . 1 . . . . B 27 ASN CA . 34455 1 375 . 9 . 2 27 27 ASN CB C 13 39.261 0.3 . 1 . . . . B 27 ASN CB . 34455 1 376 . 9 . 2 27 27 ASN N N 15 117.699 0.3 . 1 . . . . B 27 ASN N . 34455 1 377 . 9 . 2 28 28 LYS C C 13 175.283 0.3 . 1 . . . . B 28 LYS C . 34455 1 378 . 9 . 2 28 28 LYS CA C 13 53.355 0.3 . 1 . . . . B 28 LYS CA . 34455 1 379 . 9 . 2 28 28 LYS CB C 13 34.180 0.3 . 1 . . . . B 28 LYS CB . 34455 1 380 . 9 . 2 28 28 LYS CG C 13 24.508 0.3 . 1 . . . . B 28 LYS CG . 34455 1 381 . 9 . 2 28 28 LYS CD C 13 28.741 0.3 . 1 . . . . B 28 LYS CD . 34455 1 382 . 9 . 2 28 28 LYS CE C 13 40.856 0.3 . 1 . . . . B 28 LYS CE . 34455 1 383 . 9 . 2 28 28 LYS N N 15 123.135 0.3 . 1 . . . . B 28 LYS N . 34455 1 384 . 9 . 2 29 29 GLY C C 13 171.295 0.3 . 1 . . . . B 29 GLY C . 34455 1 385 . 9 . 2 29 29 GLY CA C 13 46.907 0.3 . 1 . . . . B 29 GLY CA . 34455 1 386 . 9 . 2 29 29 GLY N N 15 118.521 0.3 . 1 . . . . B 29 GLY N . 34455 1 387 . 9 . 2 30 30 ALA C C 13 174.065 0.3 . 1 . . . . B 30 ALA C . 34455 1 388 . 9 . 2 30 30 ALA CA C 13 48.916 0.3 . 1 . . . . B 30 ALA CA . 34455 1 389 . 9 . 2 30 30 ALA CB C 13 21.409 0.3 . 1 . . . . B 30 ALA CB . 34455 1 390 . 9 . 2 30 30 ALA N N 15 120.816 0.3 . 1 . . . . B 30 ALA N . 34455 1 391 . 9 . 2 31 31 ILE C C 13 173.153 0.3 . 1 . . . . B 31 ILE C . 34455 1 392 . 9 . 2 31 31 ILE CA C 13 59.110 0.3 . 1 . . . . B 31 ILE CA . 34455 1 393 . 9 . 2 31 31 ILE CB C 13 39.911 0.3 . 1 . . . . B 31 ILE CB . 34455 1 394 . 9 . 2 31 31 ILE CG1 C 13 26.221 0.3 . 1 . . . . B 31 ILE CG1 . 34455 1 395 . 9 . 2 31 31 ILE CG2 C 13 16.040 0.3 . 1 . . . . B 31 ILE CG2 . 34455 1 396 . 9 . 2 31 31 ILE CD1 C 13 12.558 0.3 . 1 . . . . B 31 ILE CD1 . 34455 1 397 . 9 . 2 31 31 ILE N N 15 120.836 0.3 . 1 . . . . B 31 ILE N . 34455 1 398 . 9 . 2 32 32 ILE C C 13 173.892 0.3 . 1 . . . . B 32 ILE C . 34455 1 399 . 9 . 2 32 32 ILE CA C 13 57.686 0.3 . 1 . . . . B 32 ILE CA . 34455 1 400 . 9 . 2 32 32 ILE CB C 13 39.951 0.3 . 1 . . . . B 32 ILE CB . 34455 1 401 . 9 . 2 32 32 ILE CG1 C 13 26.328 0.3 . 1 . . . . B 32 ILE CG1 . 34455 1 402 . 9 . 2 32 32 ILE CG2 C 13 15.128 0.3 . 1 . . . . B 32 ILE CG2 . 34455 1 403 . 9 . 2 32 32 ILE CD1 C 13 13.216 0.3 . 1 . . . . B 32 ILE CD1 . 34455 1 404 . 9 . 2 32 32 ILE N N 15 128.018 0.3 . 1 . . . . B 32 ILE N . 34455 1 405 . 9 . 2 33 33 GLY C C 13 174.023 0.3 . 1 . . . . B 33 GLY C . 34455 1 406 . 9 . 2 33 33 GLY CA C 13 47.092 0.3 . 1 . . . . B 33 GLY CA . 34455 1 407 . 9 . 2 33 33 GLY N N 15 116.259 0.3 . 1 . . . . B 33 GLY N . 34455 1 408 . 9 . 2 34 34 LEU C C 13 173.645 0.3 . 1 . . . . B 34 LEU C . 34455 1 409 . 9 . 2 34 34 LEU CA C 13 53.305 0.3 . 1 . . . . B 34 LEU CA . 34455 1 410 . 9 . 2 34 34 LEU CB C 13 41.404 0.3 . 1 . . . . B 34 LEU CB . 34455 1 411 . 9 . 2 34 34 LEU CG C 13 28.188 0.3 . 1 . . . . B 34 LEU CG . 34455 1 412 . 9 . 2 34 34 LEU CD1 C 13 26.560 0.3 . 1 . . . . B 34 LEU CD1 . 34455 1 413 . 9 . 2 34 34 LEU CD2 C 13 21.631 0.3 . 1 . . . . B 34 LEU CD2 . 34455 1 414 . 9 . 2 34 34 LEU N N 15 126.664 0.3 . 1 . . . . B 34 LEU N . 34455 1 415 . 9 . 2 35 35 MET C C 13 172.317 0.3 . 1 . . . . B 35 MET C . 34455 1 416 . 9 . 2 35 35 MET CA C 13 52.257 0.3 . 1 . . . . B 35 MET CA . 34455 1 417 . 9 . 2 35 35 MET CB C 13 38.458 0.3 . 1 . . . . B 35 MET CB . 34455 1 418 . 9 . 2 35 35 MET CG C 13 29.772 0.3 . 1 . . . . B 35 MET CG . 34455 1 419 . 9 . 2 35 35 MET CE C 13 15.336 0.3 . 1 . . . . B 35 MET CE . 34455 1 420 . 9 . 2 35 35 MET N N 15 123.314 0.3 . 1 . . . . B 35 MET N . 34455 1 421 . 9 . 2 36 36 VAL C C 13 174.563 0.3 . 1 . . . . B 36 VAL C . 34455 1 422 . 9 . 2 36 36 VAL CA C 13 57.899 0.3 . 1 . . . . B 36 VAL CA . 34455 1 423 . 9 . 2 36 36 VAL CB C 13 34.644 0.3 . 1 . . . . B 36 VAL CB . 34455 1 424 . 9 . 2 36 36 VAL CG1 C 13 18.442 0.3 . 1 . . . . B 36 VAL CG1 . 34455 1 425 . 9 . 2 36 36 VAL CG2 C 13 18.406 0.3 . 1 . . . . B 36 VAL CG2 . 34455 1 426 . 9 . 2 36 36 VAL N N 15 122.179 0.3 . 1 . . . . B 36 VAL N . 34455 1 427 . 9 . 2 37 37 GLY C C 13 169.827 0.3 . 1 . . . . B 37 GLY C . 34455 1 428 . 9 . 2 37 37 GLY CA C 13 47.496 0.3 . 1 . . . . B 37 GLY CA . 34455 1 429 . 9 . 2 37 37 GLY N N 15 116.015 0.3 . 1 . . . . B 37 GLY N . 34455 1 430 . 9 . 2 38 38 GLY C C 13 170.984 0.3 . 1 . . . . B 38 GLY C . 34455 1 431 . 9 . 2 38 38 GLY CA C 13 42.758 0.3 . 1 . . . . B 38 GLY CA . 34455 1 432 . 9 . 2 38 38 GLY N N 15 104.439 0.3 . 1 . . . . B 38 GLY N . 34455 1 433 . 9 . 2 39 39 VAL C C 13 169.678 0.3 . 1 . . . . B 39 VAL C . 34455 1 434 . 9 . 2 39 39 VAL CA C 13 59.191 0.3 . 1 . . . . B 39 VAL CA . 34455 1 435 . 9 . 2 39 39 VAL CB C 13 34.671 0.3 . 1 . . . . B 39 VAL CB . 34455 1 436 . 9 . 2 39 39 VAL CG1 C 13 19.510 0.3 . 1 . . . . B 39 VAL CG1 . 34455 1 437 . 9 . 2 39 39 VAL CG2 C 13 18.567 0.3 . 1 . . . . B 39 VAL CG2 . 34455 1 438 . 9 . 2 39 39 VAL N N 15 125.820 0.3 . 1 . . . . B 39 VAL N . 34455 1 439 . 9 . 2 40 40 VAL C C 13 169.303 0.3 . 1 . . . . B 40 VAL C . 34455 1 440 . 9 . 2 40 40 VAL CA C 13 59.106 0.3 . 1 . . . . B 40 VAL CA . 34455 1 441 . 9 . 2 40 40 VAL CB C 13 32.860 0.3 . 1 . . . . B 40 VAL CB . 34455 1 442 . 9 . 2 40 40 VAL CG1 C 13 21.060 0.3 . 1 . . . . B 40 VAL CG1 . 34455 1 443 . 9 . 2 40 40 VAL CG2 C 13 20.231 0.3 . 1 . . . . B 40 VAL CG2 . 34455 1 444 . 9 . 2 40 40 VAL N N 15 127.431 0.3 . 1 . . . . B 40 VAL N . 34455 1 445 . 9 . 2 41 41 ILE C C 13 174.976 0.3 . 1 . . . . B 41 ILE C . 34455 1 446 . 9 . 2 41 41 ILE CA C 13 56.448 0.3 . 1 . . . . B 41 ILE CA . 34455 1 447 . 9 . 2 41 41 ILE CB C 13 39.396 0.3 . 1 . . . . B 41 ILE CB . 34455 1 448 . 9 . 2 41 41 ILE CG1 C 13 25.583 0.3 . 1 . . . . B 41 ILE CG1 . 34455 1 449 . 9 . 2 41 41 ILE CG2 C 13 17.565 0.3 . 1 . . . . B 41 ILE CG2 . 34455 1 450 . 9 . 2 41 41 ILE CD1 C 13 13.642 0.3 . 1 . . . . B 41 ILE CD1 . 34455 1 451 . 9 . 2 41 41 ILE N N 15 124.033 0.3 . 1 . . . . B 41 ILE N . 34455 1 452 . 9 . 2 42 42 ALA C C 13 180.576 0.3 . 1 . . . . B 42 ALA C . 34455 1 453 . 9 . 2 42 42 ALA CA C 13 51.551 0.3 . 1 . . . . B 42 ALA CA . 34455 1 454 . 9 . 2 42 42 ALA CB C 13 19.201 0.3 . 1 . . . . B 42 ALA CB . 34455 1 455 . 9 . 2 42 42 ALA N N 15 134.400 0.3 . 1 . . . . B 42 ALA N . 34455 1 stop_ save_