################################### # 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_chemical_shift_assignment_one _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_assignment_one _Assigned_chem_shift_list.Entry_ID 4772 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $Sample_condition _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _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 $sample_1 . 4772 1 . . 2 $sample_2 . 4772 1 . . 3 $sample_3 . 4772 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.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 2 2 ASN C C 13 174.80 0.1 . 1 . . . . . . . . 4772 1 2 . 1 1 2 2 ASN CA C 13 55.69 0.1 . 1 . . . . . . . . 4772 1 3 . 1 1 3 3 ASN H H 1 8.346 0.02 . 1 . . . . . . . . 4772 1 4 . 1 1 3 3 ASN C C 13 175.20 0.1 . 1 . . . . . . . . 4772 1 5 . 1 1 3 3 ASN CA C 13 52.74 0.1 . 1 . . . . . . . . 4772 1 6 . 1 1 3 3 ASN CB C 13 38.37 0.1 . 1 . . . . . . . . 4772 1 7 . 1 1 3 3 ASN N N 15 125.60 0.1 . 1 . . . . . . . . 4772 1 8 . 1 1 4 4 GLY H H 1 8.51 0.02 . 1 . . . . . . . . 4772 1 9 . 1 1 4 4 GLY C C 13 173.40 0.1 . 1 . . . . . . . . 4772 1 10 . 1 1 4 4 GLY CA C 13 45.12 0.1 . 1 . . . . . . . . 4772 1 11 . 1 1 4 4 GLY N N 15 110.00 0.1 . 1 . . . . . . . . 4772 1 12 . 1 1 5 5 GLY H H 1 8.273 0.02 . 1 . . . . . . . . 4772 1 13 . 1 1 5 5 GLY C C 13 172.70 0.1 . 1 . . . . . . . . 4772 1 14 . 1 1 5 5 GLY CA C 13 45.02 0.1 . 1 . . . . . . . . 4772 1 15 . 1 1 5 5 GLY N N 15 109.30 0.1 . 1 . . . . . . . . 4772 1 16 . 1 1 6 6 LYS C C 13 175.00 0.1 . 1 . . . . . . . . 4772 1 17 . 1 1 6 6 LYS CA C 13 55.80 0.1 . 1 . . . . . . . . 4772 1 18 . 1 1 6 6 LYS CB C 13 32.51 0.1 . 1 . . . . . . . . 4772 1 19 . 1 1 6 6 LYS CG C 13 23.63 0.1 . 1 . . . . . . . . 4772 1 20 . 1 1 6 6 LYS CD C 13 28.37 0.1 . 1 . . . . . . . . 4772 1 21 . 1 1 6 6 LYS CE C 13 39.44 0.1 . 1 . . . . . . . . 4772 1 22 . 1 1 7 7 ALA H H 1 8.411 0.02 . 1 . . . . . . . . 4772 1 23 . 1 1 7 7 ALA C C 13 176.40 0.1 . 1 . . . . . . . . 4772 1 24 . 1 1 7 7 ALA CA C 13 52.00 0.1 . 1 . . . . . . . . 4772 1 25 . 1 1 7 7 ALA CB C 13 18.17 0.1 . 1 . . . . . . . . 4772 1 26 . 1 1 7 7 ALA N N 15 126.10 0.1 . 1 . . . . . . . . 4772 1 27 . 1 1 10 10 GLU C C 13 174.00 0.1 . 1 . . . . . . . . 4772 1 28 . 1 1 10 10 GLU CA C 13 56.99 0.1 . 1 . . . . . . . . 4772 1 29 . 1 1 10 10 GLU CB C 13 31.37 0.1 . 1 . . . . . . . . 4772 1 30 . 1 1 11 11 ASN H H 1 7.781 0.02 . 1 . . . . . . . . 4772 1 31 . 1 1 11 11 ASN C C 13 172.40 0.1 . 1 . . . . . . . . 4772 1 32 . 1 1 11 11 ASN CA C 13 52.97 0.1 . 1 . . . . . . . . 4772 1 33 . 1 1 11 11 ASN CB C 13 38.72 0.1 . 1 . . . . . . . . 4772 1 34 . 1 1 11 11 ASN N N 15 119.40 0.1 . 1 . . . . . . . . 4772 1 35 . 1 1 12 12 THR H H 1 7.928 0.02 . 1 . . . . . . . . 4772 1 36 . 1 1 12 12 THR C C 13 171.20 0.1 . 1 . . . . . . . . 4772 1 37 . 1 1 12 12 THR CA C 13 58.41 0.1 . 1 . . . . . . . . 4772 1 38 . 1 1 12 12 THR CB C 13 70.36 0.1 . 1 . . . . . . . . 4772 1 39 . 1 1 12 12 THR N N 15 115.30 0.1 . 1 . . . . . . . . 4772 1 40 . 1 1 13 13 PRO C C 13 174.90 0.1 . 1 . . . . . . . . 4772 1 41 . 1 1 13 13 PRO CA C 13 62.44 0.1 . 1 . . . . . . . . 4772 1 42 . 1 1 13 13 PRO CB C 13 34.07 0.1 . 1 . . . . . . . . 4772 1 43 . 1 1 14 14 SER H H 1 8.651 0.02 . 1 . . . . . . . . 4772 1 44 . 1 1 14 14 SER C C 13 173.50 0.1 . 1 . . . . . . . . 4772 1 45 . 1 1 14 14 SER CA C 13 58.15 0.1 . 1 . . . . . . . . 4772 1 46 . 1 1 14 14 SER CB C 13 63.62 0.1 . 1 . . . . . . . . 4772 1 47 . 1 1 14 14 SER N N 15 117.20 0.1 . 1 . . . . . . . . 4772 1 48 . 1 1 15 15 GLU H H 1 8.444 0.02 . 1 . . . . . . . . 4772 1 49 . 1 1 15 15 GLU C C 13 175.00 0.1 . 1 . . . . . . . . 4772 1 50 . 1 1 15 15 GLU CA C 13 56.23 0.1 . 1 . . . . . . . . 4772 1 51 . 1 1 15 15 GLU CB C 13 29.41 0.1 . 1 . . . . . . . . 4772 1 52 . 1 1 15 15 GLU CG C 13 35.40 0.1 . 1 . . . . . . . . 4772 1 53 . 1 1 15 15 GLU N N 15 123.30 0.1 . 1 . . . . . . . . 4772 1 54 . 1 1 16 16 ALA H H 1 8.246 0.02 . 1 . . . . . . . . 4772 1 55 . 1 1 16 16 ALA C C 13 176.20 0.1 . 1 . . . . . . . . 4772 1 56 . 1 1 16 16 ALA CA C 13 52.48 0.1 . 1 . . . . . . . . 4772 1 57 . 1 1 16 16 ALA CB C 13 18.20 0.1 . 1 . . . . . . . . 4772 1 58 . 1 1 16 16 ALA N N 15 125.00 0.1 . 1 . . . . . . . . 4772 1 59 . 1 1 17 17 ASN H H 1 8.338 0.02 . 1 . . . . . . . . 4772 1 60 . 1 1 17 17 ASN C C 13 174.00 0.1 . 1 . . . . . . . . 4772 1 61 . 1 1 17 17 ASN CA C 13 52.86 0.1 . 1 . . . . . . . . 4772 1 62 . 1 1 17 17 ASN CB C 13 38.23 0.1 . 1 . . . . . . . . 4772 1 63 . 1 1 17 17 ASN N N 15 118.20 0.1 . 1 . . . . . . . . 4772 1 64 . 1 1 18 18 LEU H H 1 8.180 0.02 . 1 . . . . . . . . 4772 1 65 . 1 1 18 18 LEU C C 13 176.20 0.1 . 1 . . . . . . . . 4772 1 66 . 1 1 18 18 LEU CA C 13 55.03 0.1 . 1 . . . . . . . . 4772 1 67 . 1 1 18 18 LEU CB C 13 41.52 0.1 . 1 . . . . . . . . 4772 1 68 . 1 1 18 18 LEU CG C 13 26.20 0.1 . 1 . . . . . . . . 4772 1 69 . 1 1 18 18 LEU CD1 C 13 24.10 0.1 . 2 . . . . . . . . 4772 1 70 . 1 1 18 18 LEU CD2 C 13 22.40 0.1 . 2 . . . . . . . . 4772 1 71 . 1 1 18 18 LEU N N 15 123.10 0.1 . 1 . . . . . . . . 4772 1 72 . 1 1 19 19 GLN H H 1 8.324 0.02 . 1 . . . . . . . . 4772 1 73 . 1 1 19 19 GLN C C 13 174.90 0.1 . 1 . . . . . . . . 4772 1 74 . 1 1 19 19 GLN CA C 13 55.76 0.1 . 1 . . . . . . . . 4772 1 75 . 1 1 19 19 GLN CB C 13 32.21 0.1 . 1 . . . . . . . . 4772 1 76 . 1 1 19 19 GLN N N 15 121.20 0.1 . 1 . . . . . . . . 4772 1 77 . 1 1 20 20 GLU H H 1 9.032 0.02 . 1 . . . . . . . . 4772 1 78 . 1 1 20 20 GLU C C 13 174.40 0.1 . 1 . . . . . . . . 4772 1 79 . 1 1 20 20 GLU CA C 13 56.45 0.1 . 1 . . . . . . . . 4772 1 80 . 1 1 20 20 GLU N N 15 119.10 0.1 . 1 . . . . . . . . 4772 1 81 . 1 1 21 21 GLU H H 1 7.735 0.02 . 1 . . . . . . . . 4772 1 82 . 1 1 21 21 GLU C C 13 172.50 0.1 . 1 . . . . . . . . 4772 1 83 . 1 1 21 21 GLU CA C 13 55.96 0.1 . 1 . . . . . . . . 4772 1 84 . 1 1 21 21 GLU N N 15 110.20 0.1 . 1 . . . . . . . . 4772 1 85 . 1 1 22 22 GLU C C 13 175.40 0.1 . 1 . . . . . . . . 4772 1 86 . 1 1 22 22 GLU CA C 13 55.84 0.1 . 1 . . . . . . . . 4772 1 87 . 1 1 22 22 GLU CB C 13 30.74 0.1 . 1 . . . . . . . . 4772 1 88 . 1 1 22 22 GLU CG C 13 36.18 0.1 . 1 . . . . . . . . 4772 1 89 . 1 1 23 23 VAL H H 1 8.617 0.02 . 1 . . . . . . . . 4772 1 90 . 1 1 23 23 VAL CA C 13 64.50 0.1 . 1 . . . . . . . . 4772 1 91 . 1 1 23 23 VAL CB C 13 30.61 0.1 . 1 . . . . . . . . 4772 1 92 . 1 1 23 23 VAL N N 15 126.10 0.1 . 1 . . . . . . . . 4772 1 93 . 1 1 24 24 ARG H H 1 9.326 0.02 . 1 . . . . . . . . 4772 1 94 . 1 1 24 24 ARG C C 13 173.10 0.1 . 1 . . . . . . . . 4772 1 95 . 1 1 24 24 ARG CA C 13 54.26 0.1 . 1 . . . . . . . . 4772 1 96 . 1 1 24 24 ARG CB C 13 32.52 0.1 . 1 . . . . . . . . 4772 1 97 . 1 1 24 24 ARG N N 15 125.20 0.1 . 1 . . . . . . . . 4772 1 98 . 1 1 25 25 THR H H 1 8.898 0.02 . 1 . . . . . . . . 4772 1 99 . 1 1 25 25 THR C C 13 172.20 0.1 . 1 . . . . . . . . 4772 1 100 . 1 1 25 25 THR CA C 13 60.75 0.1 . 1 . . . . . . . . 4772 1 101 . 1 1 25 25 THR N N 15 126.30 0.1 . 1 . . . . . . . . 4772 1 102 . 1 1 26 26 LEU H H 1 9.555 0.02 . 1 . . . . . . . . 4772 1 103 . 1 1 26 26 LEU C C 13 173.60 0.1 . 1 . . . . . . . . 4772 1 104 . 1 1 26 26 LEU CA C 13 52.31 0.1 . 1 . . . . . . . . 4772 1 105 . 1 1 26 26 LEU CB C 13 43.61 0.1 . 1 . . . . . . . . 4772 1 106 . 1 1 26 26 LEU N N 15 124.80 0.1 . 1 . . . . . . . . 4772 1 107 . 1 1 27 27 PHE H H 1 9.388 0.02 . 1 . . . . . . . . 4772 1 108 . 1 1 27 27 PHE C C 13 173.10 0.1 . 1 . . . . . . . . 4772 1 109 . 1 1 27 27 PHE CA C 13 55.03 0.1 . 1 . . . . . . . . 4772 1 110 . 1 1 27 27 PHE CB C 13 40.93 0.1 . 1 . . . . . . . . 4772 1 111 . 1 1 27 27 PHE N N 15 122.60 0.1 . 1 . . . . . . . . 4772 1 112 . 1 1 28 28 VAL H H 1 8.903 0.02 . 1 . . . . . . . . 4772 1 113 . 1 1 28 28 VAL C C 13 172.10 0.1 . 1 . . . . . . . . 4772 1 114 . 1 1 28 28 VAL CA C 13 60.02 0.1 . 1 . . . . . . . . 4772 1 115 . 1 1 28 28 VAL CB C 13 33.90 0.1 . 1 . . . . . . . . 4772 1 116 . 1 1 28 28 VAL N N 15 127.20 0.1 . 1 . . . . . . . . 4772 1 117 . 1 1 29 29 SER H H 1 8.984 0.02 . 1 . . . . . . . . 4772 1 118 . 1 1 29 29 SER C C 13 171.80 0.1 . 1 . . . . . . . . 4772 1 119 . 1 1 29 29 SER CA C 13 56.15 0.1 . 1 . . . . . . . . 4772 1 120 . 1 1 29 29 SER CB C 13 64.89 0.1 . 1 . . . . . . . . 4772 1 121 . 1 1 29 29 SER N N 15 120.80 0.1 . 1 . . . . . . . . 4772 1 122 . 1 1 30 30 GLY H H 1 8.614 0.02 . 1 . . . . . . . . 4772 1 123 . 1 1 30 30 GLY C C 13 173.10 0.1 . 1 . . . . . . . . 4772 1 124 . 1 1 30 30 GLY CA C 13 44.88 0.1 . 1 . . . . . . . . 4772 1 125 . 1 1 30 30 GLY N N 15 109.10 0.1 . 1 . . . . . . . . 4772 1 126 . 1 1 31 31 LEU H H 1 7.466 0.02 . 1 . . . . . . . . 4772 1 127 . 1 1 31 31 LEU CA C 13 50.87 0.1 . 1 . . . . . . . . 4772 1 128 . 1 1 31 31 LEU CB C 13 39.99 0.1 . 1 . . . . . . . . 4772 1 129 . 1 1 31 31 LEU N N 15 119.60 0.1 . 1 . . . . . . . . 4772 1 130 . 1 1 32 32 PRO C C 13 179.00 0.1 . 1 . . . . . . . . 4772 1 131 . 1 1 32 32 PRO CA C 13 66.15 0.1 . 1 . . . . . . . . 4772 1 132 . 1 1 33 33 LEU H H 1 9.033 0.02 . 1 . . . . . . . . 4772 1 133 . 1 1 33 33 LEU C C 13 177.80 0.1 . 1 . . . . . . . . 4772 1 134 . 1 1 33 33 LEU CA C 13 57.46 0.1 . 1 . . . . . . . . 4772 1 135 . 1 1 33 33 LEU CB C 13 42.27 0.1 . 1 . . . . . . . . 4772 1 136 . 1 1 33 33 LEU N N 15 116.20 0.1 . 1 . . . . . . . . 4772 1 137 . 1 1 34 34 ASP H H 1 7.513 0.02 . 1 . . . . . . . . 4772 1 138 . 1 1 34 34 ASP C C 13 172.60 0.1 . 1 . . . . . . . . 4772 1 139 . 1 1 34 34 ASP CA C 13 56.33 0.1 . 1 . . . . . . . . 4772 1 140 . 1 1 34 34 ASP N N 15 117.90 0.1 . 1 . . . . . . . . 4772 1 141 . 1 1 35 35 ILE H H 1 9.403 0.02 . 1 . . . . . . . . 4772 1 142 . 1 1 35 35 ILE CA C 13 59.41 0.1 . 1 . . . . . . . . 4772 1 143 . 1 1 35 35 ILE N N 15 125.20 0.1 . 1 . . . . . . . . 4772 1 144 . 1 1 38 38 ARG C C 13 175.30 0.1 . 1 . . . . . . . . 4772 1 145 . 1 1 38 38 ARG CA C 13 56.01 0.1 . 1 . . . . . . . . 4772 1 146 . 1 1 38 38 ARG CB C 13 32.11 0.1 . 1 . . . . . . . . 4772 1 147 . 1 1 38 38 ARG CG C 13 28.75 0.1 . 1 . . . . . . . . 4772 1 148 . 1 1 38 38 ARG CD C 13 41.39 0.1 . 1 . . . . . . . . 4772 1 149 . 1 1 39 39 GLU H H 1 8.448 0.02 . 1 . . . . . . . . 4772 1 150 . 1 1 39 39 GLU C C 13 175.20 0.1 . 1 . . . . . . . . 4772 1 151 . 1 1 39 39 GLU CA C 13 61.62 0.1 . 1 . . . . . . . . 4772 1 152 . 1 1 39 39 GLU CB C 13 30.01 0.1 . 1 . . . . . . . . 4772 1 153 . 1 1 39 39 GLU N N 15 122.60 0.1 . 1 . . . . . . . . 4772 1 154 . 1 1 40 40 LEU H H 1 8.392 0.02 . 1 . . . . . . . . 4772 1 155 . 1 1 40 40 LEU C C 13 175.10 0.1 . 1 . . . . . . . . 4772 1 156 . 1 1 40 40 LEU CA C 13 56.87 0.1 . 1 . . . . . . . . 4772 1 157 . 1 1 40 40 LEU N N 15 118.40 0.1 . 1 . . . . . . . . 4772 1 158 . 1 1 41 41 TYR H H 1 7.458 0.02 . 1 . . . . . . . . 4772 1 159 . 1 1 41 41 TYR CA C 13 59.20 0.1 . 1 . . . . . . . . 4772 1 160 . 1 1 41 41 TYR N N 15 111.00 0.1 . 1 . . . . . . . . 4772 1 161 . 1 1 42 42 LEU C C 13 174.70 0.1 . 1 . . . . . . . . 4772 1 162 . 1 1 42 42 LEU CA C 13 56.03 0.1 . 1 . . . . . . . . 4772 1 163 . 1 1 43 43 LEU H H 1 8.050 0.02 . 1 . . . . . . . . 4772 1 164 . 1 1 43 43 LEU C C 13 174.20 0.1 . 1 . . . . . . . . 4772 1 165 . 1 1 43 43 LEU CA C 13 56.35 0.1 . 1 . . . . . . . . 4772 1 166 . 1 1 43 43 LEU CB C 13 39.89 0.1 . 1 . . . . . . . . 4772 1 167 . 1 1 43 43 LEU CG C 13 29.90 0.1 . 1 . . . . . . . . 4772 1 168 . 1 1 43 43 LEU N N 15 122.40 0.1 . 1 . . . . . . . . 4772 1 169 . 1 1 44 44 PHE H H 1 8.897 0.02 . 1 . . . . . . . . 4772 1 170 . 1 1 44 44 PHE C C 13 176.80 0.1 . 1 . . . . . . . . 4772 1 171 . 1 1 44 44 PHE CA C 13 59.64 0.1 . 1 . . . . . . . . 4772 1 172 . 1 1 44 44 PHE CB C 13 38.26 0.1 . 1 . . . . . . . . 4772 1 173 . 1 1 44 44 PHE N N 15 122.30 0.1 . 1 . . . . . . . . 4772 1 174 . 1 1 45 45 ARG H H 1 8.847 0.02 . 1 . . . . . . . . 4772 1 175 . 1 1 45 45 ARG CA C 13 61.37 0.1 . 1 . . . . . . . . 4772 1 176 . 1 1 45 45 ARG N N 15 115.00 0.1 . 1 . . . . . . . . 4772 1 177 . 1 1 46 46 PRO C C 13 175.80 0.1 . 1 . . . . . . . . 4772 1 178 . 1 1 46 46 PRO CA C 13 63.18 0.1 . 1 . . . . . . . . 4772 1 179 . 1 1 46 46 PRO CB C 13 31.84 0.1 . 1 . . . . . . . . 4772 1 180 . 1 1 46 46 PRO CG C 13 26.69 0.1 . 1 . . . . . . . . 4772 1 181 . 1 1 46 46 PRO CD C 13 50.46 0.1 . 1 . . . . . . . . 4772 1 182 . 1 1 47 47 PHE H H 1 8.457 0.02 . 1 . . . . . . . . 4772 1 183 . 1 1 47 47 PHE C C 13 173.90 0.1 . 1 . . . . . . . . 4772 1 184 . 1 1 47 47 PHE CA C 13 58.42 0.1 . 1 . . . . . . . . 4772 1 185 . 1 1 47 47 PHE N N 15 117.10 0.1 . 1 . . . . . . . . 4772 1 186 . 1 1 48 48 LYS H H 1 8.229 0.02 . 1 . . . . . . . . 4772 1 187 . 1 1 48 48 LYS C C 13 173.30 0.1 . 1 . . . . . . . . 4772 1 188 . 1 1 48 48 LYS CA C 13 55.00 0.1 . 1 . . . . . . . . 4772 1 189 . 1 1 48 48 LYS N N 15 128.60 0.1 . 1 . . . . . . . . 4772 1 190 . 1 1 49 49 GLY H H 1 5.991 0.02 . 1 . . . . . . . . 4772 1 191 . 1 1 49 49 GLY CA C 13 44.62 0.1 . 1 . . . . . . . . 4772 1 192 . 1 1 49 49 GLY N N 15 104.80 0.1 . 1 . . . . . . . . 4772 1 193 . 1 1 50 50 TYR C C 13 174.20 0.1 . 1 . . . . . . . . 4772 1 194 . 1 1 50 50 TYR CA C 13 58.79 0.1 . 1 . . . . . . . . 4772 1 195 . 1 1 51 51 GLU H H 1 8.598 0.02 . 1 . . . . . . . . 4772 1 196 . 1 1 51 51 GLU C C 13 175.90 0.1 . 1 . . . . . . . . 4772 1 197 . 1 1 51 51 GLU CA C 13 57.11 0.1 . 1 . . . . . . . . 4772 1 198 . 1 1 51 51 GLU CB C 13 32.14 0.1 . 1 . . . . . . . . 4772 1 199 . 1 1 51 51 GLU N N 15 127.40 0.1 . 1 . . . . . . . . 4772 1 200 . 1 1 52 52 GLY H H 1 8.948 0.02 . 1 . . . . . . . . 4772 1 201 . 1 1 52 52 GLY C C 13 172.80 0.1 . 1 . . . . . . . . 4772 1 202 . 1 1 52 52 GLY CA C 13 44.85 0.1 . 1 . . . . . . . . 4772 1 203 . 1 1 52 52 GLY N N 15 111.40 0.1 . 1 . . . . . . . . 4772 1 204 . 1 1 53 53 SER H H 1 8.121 0.02 . 1 . . . . . . . . 4772 1 205 . 1 1 53 53 SER C C 13 174.90 0.1 . 1 . . . . . . . . 4772 1 206 . 1 1 53 53 SER CA C 13 55.86 0.1 . 1 . . . . . . . . 4772 1 207 . 1 1 53 53 SER CB C 13 61.02 0.1 . 1 . . . . . . . . 4772 1 208 . 1 1 53 53 SER N N 15 121.60 0.1 . 1 . . . . . . . . 4772 1 209 . 1 1 54 54 LEU H H 1 8.349 0.02 . 1 . . . . . . . . 4772 1 210 . 1 1 54 54 LEU C C 13 175.00 0.1 . 1 . . . . . . . . 4772 1 211 . 1 1 54 54 LEU CA C 13 55.03 0.1 . 1 . . . . . . . . 4772 1 212 . 1 1 54 54 LEU CB C 13 41.32 0.1 . 1 . . . . . . . . 4772 1 213 . 1 1 54 54 LEU CG C 13 26.26 0.1 . 1 . . . . . . . . 4772 1 214 . 1 1 54 54 LEU CD1 C 13 24.06 0.1 . 2 . . . . . . . . 4772 1 215 . 1 1 54 54 LEU CD2 C 13 22.51 0.1 . 2 . . . . . . . . 4772 1 216 . 1 1 54 54 LEU N N 15 124.80 0.1 . 1 . . . . . . . . 4772 1 217 . 1 1 55 55 ILE H H 1 7.561 0.02 . 1 . . . . . . . . 4772 1 218 . 1 1 55 55 ILE C C 13 176.10 0.1 . 1 . . . . . . . . 4772 1 219 . 1 1 55 55 ILE CA C 13 62.74 0.1 . 1 . . . . . . . . 4772 1 220 . 1 1 55 55 ILE CB C 13 39.67 0.1 . 1 . . . . . . . . 4772 1 221 . 1 1 55 55 ILE N N 15 124.70 0.1 . 1 . . . . . . . . 4772 1 222 . 1 1 56 56 LYS H H 1 7.611 0.02 . 1 . . . . . . . . 4772 1 223 . 1 1 56 56 LYS C C 13 174.80 0.1 . 1 . . . . . . . . 4772 1 224 . 1 1 56 56 LYS CA C 13 55.94 0.1 . 1 . . . . . . . . 4772 1 225 . 1 1 56 56 LYS CB C 13 29.87 0.1 . 1 . . . . . . . . 4772 1 226 . 1 1 56 56 LYS CD C 13 31.72 0.1 . 1 . . . . . . . . 4772 1 227 . 1 1 56 56 LYS CE C 13 41.33 0.1 . 1 . . . . . . . . 4772 1 228 . 1 1 56 56 LYS N N 15 121.60 0.1 . 1 . . . . . . . . 4772 1 229 . 1 1 57 57 LEU H H 1 8.537 0.02 . 1 . . . . . . . . 4772 1 230 . 1 1 57 57 LEU C C 13 173.60 0.1 . 1 . . . . . . . . 4772 1 231 . 1 1 57 57 LEU CA C 13 52.90 0.1 . 1 . . . . . . . . 4772 1 232 . 1 1 57 57 LEU CB C 13 38.58 0.1 . 1 . . . . . . . . 4772 1 233 . 1 1 57 57 LEU CG C 13 29.03 0.1 . 1 . . . . . . . . 4772 1 234 . 1 1 57 57 LEU N N 15 120.80 0.1 . 1 . . . . . . . . 4772 1 235 . 1 1 58 58 THR H H 1 8.172 0.02 . 1 . . . . . . . . 4772 1 236 . 1 1 58 58 THR C C 13 172.40 0.1 . 1 . . . . . . . . 4772 1 237 . 1 1 58 58 THR CA C 13 60.40 0.1 . 1 . . . . . . . . 4772 1 238 . 1 1 58 58 THR CB C 13 70.23 0.1 . 1 . . . . . . . . 4772 1 239 . 1 1 58 58 THR N N 15 117.90 0.1 . 1 . . . . . . . . 4772 1 240 . 1 1 59 59 SER H H 1 8.902 0.02 . 1 . . . . . . . . 4772 1 241 . 1 1 59 59 SER C C 13 174.40 0.1 . 1 . . . . . . . . 4772 1 242 . 1 1 59 59 SER CA C 13 59.15 0.1 . 1 . . . . . . . . 4772 1 243 . 1 1 59 59 SER CB C 13 62.10 0.1 . 1 . . . . . . . . 4772 1 244 . 1 1 59 59 SER N N 15 120.10 0.1 . 1 . . . . . . . . 4772 1 245 . 1 1 60 60 LYS H H 1 9.179 0.02 . 1 . . . . . . . . 4772 1 246 . 1 1 60 60 LYS C C 13 173.40 0.1 . 1 . . . . . . . . 4772 1 247 . 1 1 60 60 LYS CA C 13 53.99 0.1 . 1 . . . . . . . . 4772 1 248 . 1 1 60 60 LYS CB C 13 34.75 0.1 . 1 . . . . . . . . 4772 1 249 . 1 1 60 60 LYS N N 15 128.00 0.1 . 1 . . . . . . . . 4772 1 250 . 1 1 61 61 GLN H H 1 8.741 0.02 . 1 . . . . . . . . 4772 1 251 . 1 1 61 61 GLN C C 13 174.30 0.1 . 1 . . . . . . . . 4772 1 252 . 1 1 61 61 GLN CA C 13 59.22 0.1 . 1 . . . . . . . . 4772 1 253 . 1 1 61 61 GLN N N 15 122.00 0.1 . 1 . . . . . . . . 4772 1 254 . 1 1 62 62 PRO C C 13 175.50 0.1 . 1 . . . . . . . . 4772 1 255 . 1 1 62 62 PRO CA C 13 63.98 0.1 . 1 . . . . . . . . 4772 1 256 . 1 1 62 62 PRO CB C 13 31.11 0.1 . 1 . . . . . . . . 4772 1 257 . 1 1 63 63 VAL H H 1 7.948 0.02 . 1 . . . . . . . . 4772 1 258 . 1 1 63 63 VAL C C 13 173.20 0.1 . 1 . . . . . . . . 4772 1 259 . 1 1 63 63 VAL CA C 13 59.47 0.1 . 1 . . . . . . . . 4772 1 260 . 1 1 63 63 VAL CB C 13 34.45 0.1 . 1 . . . . . . . . 4772 1 261 . 1 1 63 63 VAL CG1 C 13 18.51 0.1 . 1 . . . . . . . . 4772 1 262 . 1 1 63 63 VAL CG2 C 13 18.51 0.1 . 1 . . . . . . . . 4772 1 263 . 1 1 63 63 VAL N N 15 117.80 0.1 . 1 . . . . . . . . 4772 1 264 . 1 1 64 64 GLY H H 1 8.710 0.02 . 1 . . . . . . . . 4772 1 265 . 1 1 64 64 GLY C C 13 169.70 0.1 . 1 . . . . . . . . 4772 1 266 . 1 1 64 64 GLY CA C 13 43.23 0.1 . 1 . . . . . . . . 4772 1 267 . 1 1 64 64 GLY N N 15 108.50 0.1 . 1 . . . . . . . . 4772 1 268 . 1 1 65 65 PHE H H 1 8.968 0.02 . 1 . . . . . . . . 4772 1 269 . 1 1 65 65 PHE C C 13 177.10 0.1 . 1 . . . . . . . . 4772 1 270 . 1 1 65 65 PHE CA C 13 56.62 0.1 . 1 . . . . . . . . 4772 1 271 . 1 1 65 65 PHE CB C 13 41.16 0.1 . 1 . . . . . . . . 4772 1 272 . 1 1 65 65 PHE N N 15 119.80 0.1 . 1 . . . . . . . . 4772 1 273 . 1 1 66 66 VAL H H 1 6.760 0.02 . 1 . . . . . . . . 4772 1 274 . 1 1 66 66 VAL C C 13 174.10 0.1 . 1 . . . . . . . . 4772 1 275 . 1 1 66 66 VAL CA C 13 61.73 0.1 . 1 . . . . . . . . 4772 1 276 . 1 1 66 66 VAL CB C 13 32.48 0.1 . 1 . . . . . . . . 4772 1 277 . 1 1 66 66 VAL N N 15 120.50 0.1 . 1 . . . . . . . . 4772 1 278 . 1 1 67 67 SER H H 1 8.707 0.02 . 1 . . . . . . . . 4772 1 279 . 1 1 67 67 SER C C 13 175.20 0.1 . 1 . . . . . . . . 4772 1 280 . 1 1 67 67 SER CA C 13 59.80 0.1 . 1 . . . . . . . . 4772 1 281 . 1 1 67 67 SER N N 15 118.60 0.1 . 1 . . . . . . . . 4772 1 282 . 1 1 68 68 PHE H H 1 8.175 0.02 . 1 . . . . . . . . 4772 1 283 . 1 1 68 68 PHE C C 13 176.30 0.1 . 1 . . . . . . . . 4772 1 284 . 1 1 68 68 PHE CA C 13 57.09 0.1 . 1 . . . . . . . . 4772 1 285 . 1 1 68 68 PHE N N 15 118.90 0.1 . 1 . . . . . . . . 4772 1 286 . 1 1 69 69 ASP H H 1 7.768 0.02 . 1 . . . . . . . . 4772 1 287 . 1 1 69 69 ASP C C 13 174.80 0.1 . 1 . . . . . . . . 4772 1 288 . 1 1 69 69 ASP CA C 13 51.47 0.1 . 1 . . . . . . . . 4772 1 289 . 1 1 69 69 ASP CB C 13 39.36 0.1 . 1 . . . . . . . . 4772 1 290 . 1 1 69 69 ASP N N 15 114.90 0.1 . 1 . . . . . . . . 4772 1 291 . 1 1 70 70 SER H H 1 7.012 0.02 . 1 . . . . . . . . 4772 1 292 . 1 1 70 70 SER C C 13 172.70 0.1 . 1 . . . . . . . . 4772 1 293 . 1 1 70 70 SER CA C 13 60.39 0.1 . 1 . . . . . . . . 4772 1 294 . 1 1 70 70 SER CB C 13 66.88 0.1 . 1 . . . . . . . . 4772 1 295 . 1 1 70 70 SER N N 15 119.60 0.1 . 1 . . . . . . . . 4772 1 296 . 1 1 71 71 ARG H H 1 8.980 0.02 . 1 . . . . . . . . 4772 1 297 . 1 1 71 71 ARG C C 13 173.60 0.1 . 1 . . . . . . . . 4772 1 298 . 1 1 71 71 ARG CA C 13 52.89 0.1 . 1 . . . . . . . . 4772 1 299 . 1 1 71 71 ARG CB C 13 33.90 0.1 . 1 . . . . . . . . 4772 1 300 . 1 1 71 71 ARG N N 15 127.20 0.1 . 1 . . . . . . . . 4772 1 301 . 1 1 72 72 SER H H 1 8.174 0.02 . 1 . . . . . . . . 4772 1 302 . 1 1 72 72 SER C C 13 177.60 0.1 . 1 . . . . . . . . 4772 1 303 . 1 1 72 72 SER CA C 13 59.66 0.1 . 1 . . . . . . . . 4772 1 304 . 1 1 72 72 SER CB C 13 69.61 0.1 . 1 . . . . . . . . 4772 1 305 . 1 1 72 72 SER N N 15 116.60 0.1 . 1 . . . . . . . . 4772 1 306 . 1 1 73 73 GLU H H 1 7.140 0.02 . 1 . . . . . . . . 4772 1 307 . 1 1 73 73 GLU C C 13 171.30 0.1 . 1 . . . . . . . . 4772 1 308 . 1 1 73 73 GLU CA C 13 56.68 0.1 . 1 . . . . . . . . 4772 1 309 . 1 1 73 73 GLU N N 15 115.90 0.1 . 1 . . . . . . . . 4772 1 310 . 1 1 74 74 ALA H H 1 8.849 0.02 . 1 . . . . . . . . 4772 1 311 . 1 1 74 74 ALA C C 13 179.60 0.1 . 1 . . . . . . . . 4772 1 312 . 1 1 74 74 ALA CA C 13 54.25 0.1 . 1 . . . . . . . . 4772 1 313 . 1 1 74 74 ALA CB C 13 17.58 0.1 . 1 . . . . . . . . 4772 1 314 . 1 1 74 74 ALA N N 15 119.70 0.1 . 1 . . . . . . . . 4772 1 315 . 1 1 75 75 GLU H H 1 6.854 0.02 . 1 . . . . . . . . 4772 1 316 . 1 1 75 75 GLU C C 13 176.20 0.1 . 1 . . . . . . . . 4772 1 317 . 1 1 75 75 GLU CA C 13 58.80 0.1 . 1 . . . . . . . . 4772 1 318 . 1 1 75 75 GLU CB C 13 30.59 0.1 . 1 . . . . . . . . 4772 1 319 . 1 1 75 75 GLU N N 15 121.00 0.1 . 1 . . . . . . . . 4772 1 320 . 1 1 76 76 ALA H H 1 7.474 0.02 . 1 . . . . . . . . 4772 1 321 . 1 1 76 76 ALA C C 13 173.50 0.1 . 1 . . . . . . . . 4772 1 322 . 1 1 76 76 ALA CA C 13 54.02 0.1 . 1 . . . . . . . . 4772 1 323 . 1 1 76 76 ALA CB C 13 16.89 0.1 . 1 . . . . . . . . 4772 1 324 . 1 1 76 76 ALA N N 15 120.10 0.1 . 1 . . . . . . . . 4772 1 325 . 1 1 77 77 ALA H H 1 8.712 0.02 . 1 . . . . . . . . 4772 1 326 . 1 1 77 77 ALA C C 13 176.20 0.1 . 1 . . . . . . . . 4772 1 327 . 1 1 77 77 ALA CA C 13 53.99 0.1 . 1 . . . . . . . . 4772 1 328 . 1 1 77 77 ALA N N 15 125.20 0.1 . 1 . . . . . . . . 4772 1 329 . 1 1 78 78 LYS C C 13 176.80 0.1 . 1 . . . . . . . . 4772 1 330 . 1 1 78 78 LYS CA C 13 61.69 0.1 . 1 . . . . . . . . 4772 1 331 . 1 1 79 79 ASN H H 1 7.622 0.02 . 1 . . . . . . . . 4772 1 332 . 1 1 79 79 ASN C C 13 177.50 0.1 . 1 . . . . . . . . 4772 1 333 . 1 1 79 79 ASN CA C 13 57.95 0.1 . 1 . . . . . . . . 4772 1 334 . 1 1 79 79 ASN N N 15 123.30 0.1 . 1 . . . . . . . . 4772 1 335 . 1 1 80 80 ALA H H 1 7.436 0.02 . 1 . . . . . . . . 4772 1 336 . 1 1 80 80 ALA C C 13 178.40 0.1 . 1 . . . . . . . . 4772 1 337 . 1 1 80 80 ALA CA C 13 53.85 0.1 . 1 . . . . . . . . 4772 1 338 . 1 1 80 80 ALA CB C 13 18.76 0.1 . 1 . . . . . . . . 4772 1 339 . 1 1 80 80 ALA N N 15 123.70 0.1 . 1 . . . . . . . . 4772 1 340 . 1 1 81 81 LEU H H 1 7.449 0.02 . 1 . . . . . . . . 4772 1 341 . 1 1 81 81 LEU C C 13 175.20 0.1 . 1 . . . . . . . . 4772 1 342 . 1 1 81 81 LEU CA C 13 54.13 0.1 . 1 . . . . . . . . 4772 1 343 . 1 1 81 81 LEU N N 15 115.00 0.1 . 1 . . . . . . . . 4772 1 344 . 1 1 82 82 ASN H H 1 7.529 0.02 . 1 . . . . . . . . 4772 1 345 . 1 1 82 82 ASN C C 13 176.40 0.1 . 1 . . . . . . . . 4772 1 346 . 1 1 82 82 ASN CA C 13 55.35 0.1 . 1 . . . . . . . . 4772 1 347 . 1 1 82 82 ASN CB C 13 38.26 0.1 . 1 . . . . . . . . 4772 1 348 . 1 1 82 82 ASN N N 15 118.70 0.1 . 1 . . . . . . . . 4772 1 349 . 1 1 83 83 GLY H H 1 8.728 0.02 . 1 . . . . . . . . 4772 1 350 . 1 1 83 83 GLY C C 13 173.00 0.1 . 1 . . . . . . . . 4772 1 351 . 1 1 83 83 GLY CA C 13 45.13 0.1 . 1 . . . . . . . . 4772 1 352 . 1 1 83 83 GLY N N 15 112.30 0.1 . 1 . . . . . . . . 4772 1 353 . 1 1 84 84 ILE H H 1 7.485 0.02 . 1 . . . . . . . . 4772 1 354 . 1 1 84 84 ILE CA C 13 60.10 0.1 . 1 . . . . . . . . 4772 1 355 . 1 1 84 84 ILE CB C 13 38.65 0.1 . 1 . . . . . . . . 4772 1 356 . 1 1 84 84 ILE N N 15 116.50 0.1 . 1 . . . . . . . . 4772 1 357 . 1 1 91 91 PRO C C 13 176.60 0.1 . 1 . . . . . . . . 4772 1 358 . 1 1 91 91 PRO CA C 13 63.63 0.1 . 1 . . . . . . . . 4772 1 359 . 1 1 92 92 GLN H H 1 8.220 0.02 . 1 . . . . . . . . 4772 1 360 . 1 1 92 92 GLN C C 13 174.80 0.1 . 1 . . . . . . . . 4772 1 361 . 1 1 92 92 GLN CA C 13 55.70 0.1 . 1 . . . . . . . . 4772 1 362 . 1 1 92 92 GLN CB C 13 29.85 0.1 . 1 . . . . . . . . 4772 1 363 . 1 1 92 92 GLN CG C 13 35.50 0.1 . 1 . . . . . . . . 4772 1 364 . 1 1 92 92 GLN N N 15 116.00 0.1 . 1 . . . . . . . . 4772 1 365 . 1 1 93 93 THR H H 1 8.539 0.02 . 1 . . . . . . . . 4772 1 366 . 1 1 93 93 THR C C 13 173.00 0.1 . 1 . . . . . . . . 4772 1 367 . 1 1 93 93 THR CA C 13 59.77 0.1 . 1 . . . . . . . . 4772 1 368 . 1 1 93 93 THR CB C 13 71.63 0.1 . 1 . . . . . . . . 4772 1 369 . 1 1 93 93 THR N N 15 118.70 0.1 . 1 . . . . . . . . 4772 1 370 . 1 1 94 94 LEU H H 1 8.846 0.02 . 1 . . . . . . . . 4772 1 371 . 1 1 94 94 LEU C C 13 176.60 0.1 . 1 . . . . . . . . 4772 1 372 . 1 1 94 94 LEU CA C 13 54.28 0.1 . 1 . . . . . . . . 4772 1 373 . 1 1 94 94 LEU CB C 13 43.66 0.1 . 1 . . . . . . . . 4772 1 374 . 1 1 94 94 LEU N N 15 121.40 0.1 . 1 . . . . . . . . 4772 1 375 . 1 1 95 95 ARG H H 1 7.927 0.02 . 1 . . . . . . . . 4772 1 376 . 1 1 95 95 ARG C C 13 176.20 0.1 . 1 . . . . . . . . 4772 1 377 . 1 1 95 95 ARG CA C 13 58.95 0.1 . 1 . . . . . . . . 4772 1 378 . 1 1 95 95 ARG CB C 13 31.06 0.1 . 1 . . . . . . . . 4772 1 379 . 1 1 95 95 ARG N N 15 118.50 0.1 . 1 . . . . . . . . 4772 1 380 . 1 1 96 96 LEU H H 1 8.153 0.02 . 1 . . . . . . . . 4772 1 381 . 1 1 96 96 LEU C C 13 173.20 0.1 . 1 . . . . . . . . 4772 1 382 . 1 1 96 96 LEU CA C 13 54.39 0.1 . 1 . . . . . . . . 4772 1 383 . 1 1 96 96 LEU CB C 13 37.50 0.1 . 1 . . . . . . . . 4772 1 384 . 1 1 96 96 LEU N N 15 115.00 0.1 . 1 . . . . . . . . 4772 1 385 . 1 1 97 97 GLU H H 1 8.247 0.02 . 1 . . . . . . . . 4772 1 386 . 1 1 97 97 GLU C C 13 173.60 0.1 . 1 . . . . . . . . 4772 1 387 . 1 1 97 97 GLU CA C 13 52.61 0.1 . 1 . . . . . . . . 4772 1 388 . 1 1 97 97 GLU CB C 13 33.40 0.1 . 1 . . . . . . . . 4772 1 389 . 1 1 97 97 GLU N N 15 119.50 0.1 . 1 . . . . . . . . 4772 1 390 . 1 1 98 98 PHE H H 1 9.256 0.02 . 1 . . . . . . . . 4772 1 391 . 1 1 98 98 PHE C C 13 175.30 0.1 . 1 . . . . . . . . 4772 1 392 . 1 1 98 98 PHE CA C 13 60.99 0.1 . 1 . . . . . . . . 4772 1 393 . 1 1 98 98 PHE CB C 13 38.82 0.1 . 1 . . . . . . . . 4772 1 394 . 1 1 98 98 PHE N N 15 121.40 0.1 . 1 . . . . . . . . 4772 1 395 . 1 1 99 99 ALA H H 1 8.614 0.02 . 1 . . . . . . . . 4772 1 396 . 1 1 99 99 ALA C C 13 174.40 0.1 . 1 . . . . . . . . 4772 1 397 . 1 1 99 99 ALA CA C 13 50.72 0.1 . 1 . . . . . . . . 4772 1 398 . 1 1 99 99 ALA CB C 13 19.38 0.1 . 1 . . . . . . . . 4772 1 399 . 1 1 99 99 ALA N N 15 125.40 0.1 . 1 . . . . . . . . 4772 1 400 . 1 1 100 100 LYS H H 1 8.631 0.02 . 1 . . . . . . . . 4772 1 401 . 1 1 100 100 LYS C C 13 174.80 0.1 . 1 . . . . . . . . 4772 1 402 . 1 1 100 100 LYS CA C 13 56.54 0.1 . 1 . . . . . . . . 4772 1 403 . 1 1 100 100 LYS CB C 13 31.77 0.1 . 1 . . . . . . . . 4772 1 404 . 1 1 100 100 LYS N N 15 118.00 0.1 . 1 . . . . . . . . 4772 1 405 . 1 1 101 101 ALA C C 13 175.10 0.1 . 1 . . . . . . . . 4772 1 406 . 1 1 101 101 ALA CA C 13 50.41 0.1 . 1 . . . . . . . . 4772 1 407 . 1 1 101 101 ALA CB C 13 21.24 0.1 . 1 . . . . . . . . 4772 1 408 . 1 1 102 102 ASN H H 1 8.899 0.02 . 1 . . . . . . . . 4772 1 409 . 1 1 102 102 ASN C C 13 174.50 0.1 . 1 . . . . . . . . 4772 1 410 . 1 1 102 102 ASN CA C 13 52.73 0.1 . 1 . . . . . . . . 4772 1 411 . 1 1 102 102 ASN CB C 13 38.45 0.1 . 1 . . . . . . . . 4772 1 412 . 1 1 102 102 ASN N N 15 117.40 0.1 . 1 . . . . . . . . 4772 1 413 . 1 1 103 103 THR H H 1 7.768 0.02 . 1 . . . . . . . . 4772 1 414 . 1 1 103 103 THR C C 13 172.50 0.1 . 1 . . . . . . . . 4772 1 415 . 1 1 103 103 THR CA C 13 61.76 0.1 . 1 . . . . . . . . 4772 1 416 . 1 1 103 103 THR CB C 13 69.90 0.1 . 1 . . . . . . . . 4772 1 417 . 1 1 103 103 THR N N 15 116.90 0.1 . 1 . . . . . . . . 4772 1 418 . 1 1 104 104 LYS H H 1 8.506 0.02 . 1 . . . . . . . . 4772 1 419 . 1 1 104 104 LYS C C 13 174.70 0.1 . 1 . . . . . . . . 4772 1 420 . 1 1 104 104 LYS CA C 13 56.00 0.1 . 1 . . . . . . . . 4772 1 421 . 1 1 104 104 LYS CB C 13 31.61 0.1 . 1 . . . . . . . . 4772 1 422 . 1 1 104 104 LYS N N 15 126.80 0.1 . 1 . . . . . . . . 4772 1 423 . 1 1 105 105 MET C C 13 174.10 0.1 . 1 . . . . . . . . 4772 1 424 . 1 1 105 105 MET CA C 13 54.07 0.1 . 1 . . . . . . . . 4772 1 425 . 1 1 105 105 MET CB C 13 32.63 0.1 . 1 . . . . . . . . 4772 1 426 . 1 1 106 106 ALA H H 1 8.220 0.02 . 1 . . . . . . . . 4772 1 427 . 1 1 106 106 ALA C C 13 175.50 0.1 . 1 . . . . . . . . 4772 1 428 . 1 1 106 106 ALA CA C 13 52.53 0.1 . 1 . . . . . . . . 4772 1 429 . 1 1 106 106 ALA CB C 13 18.70 0.1 . 1 . . . . . . . . 4772 1 430 . 1 1 106 106 ALA N N 15 125.50 0.1 . 1 . . . . . . . . 4772 1 431 . 1 1 107 107 LYS H H 1 8.311 0.02 . 1 . . . . . . . . 4772 1 432 . 1 1 107 107 LYS C C 13 175.10 0.1 . 1 . . . . . . . . 4772 1 433 . 1 1 107 107 LYS CA C 13 55.92 0.1 . 1 . . . . . . . . 4772 1 434 . 1 1 107 107 LYS CB C 13 32.34 0.1 . 1 . . . . . . . . 4772 1 435 . 1 1 107 107 LYS CG C 13 23.69 0.1 . 1 . . . . . . . . 4772 1 436 . 1 1 107 107 LYS CD C 13 28.65 0.1 . 1 . . . . . . . . 4772 1 437 . 1 1 107 107 LYS CE C 13 41.40 0.1 . 1 . . . . . . . . 4772 1 438 . 1 1 107 107 LYS N N 15 122.40 0.1 . 1 . . . . . . . . 4772 1 439 . 1 1 108 108 ASN H H 1 8.447 0.02 . 1 . . . . . . . . 4772 1 440 . 1 1 108 108 ASN C C 13 173.40 0.1 . 1 . . . . . . . . 4772 1 441 . 1 1 108 108 ASN CA C 13 52.99 0.1 . 1 . . . . . . . . 4772 1 442 . 1 1 108 108 ASN CB C 13 38.38 0.1 . 1 . . . . . . . . 4772 1 443 . 1 1 108 108 ASN N N 15 120.60 0.1 . 1 . . . . . . . . 4772 1 444 . 1 1 109 109 LYS H H 1 8.708 0.02 . 1 . . . . . . . . 4772 1 445 . 1 1 109 109 LYS C C 13 174.70 0.1 . 1 . . . . . . . . 4772 1 446 . 1 1 109 109 LYS CA C 13 53.34 0.1 . 1 . . . . . . . . 4772 1 447 . 1 1 109 109 LYS CB C 13 31.11 0.1 . 1 . . . . . . . . 4772 1 448 . 1 1 109 109 LYS CG C 13 23.63 0.1 . 1 . . . . . . . . 4772 1 449 . 1 1 109 109 LYS N N 15 121.00 0.1 . 1 . . . . . . . . 4772 1 450 . 1 1 110 110 LEU H H 1 8.349 0.02 . 1 . . . . . . . . 4772 1 451 . 1 1 110 110 LEU C C 13 174.60 0.1 . 1 . . . . . . . . 4772 1 452 . 1 1 110 110 LEU CA C 13 54.94 0.1 . 1 . . . . . . . . 4772 1 453 . 1 1 110 110 LEU CB C 13 41.25 0.1 . 1 . . . . . . . . 4772 1 454 . 1 1 110 110 LEU CD1 C 13 22.39 0.1 . 1 . . . . . . . . 4772 1 455 . 1 1 110 110 LEU CD2 C 13 22.39 0.1 . 1 . . . . . . . . 4772 1 456 . 1 1 110 110 LEU N N 15 123.50 0.1 . 1 . . . . . . . . 4772 1 457 . 1 1 111 111 VAL H H 1 7.561 0.02 . 1 . . . . . . . . 4772 1 458 . 1 1 111 111 VAL CA C 13 62.94 0.1 . 1 . . . . . . . . 4772 1 459 . 1 1 111 111 VAL CB C 13 32.93 0.1 . 1 . . . . . . . . 4772 1 460 . 1 1 111 111 VAL N N 15 123.30 0.1 . 1 . . . . . . . . 4772 1 stop_ save_