################################### # 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_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode shift_set_1 _Assigned_chem_shift_list.Entry_ID 6232 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $Ex-cond_1 _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 HNCACB . . . 6232 1 2 HCCH-TOCSY . . . 6232 1 3 CBCA(CO)NH . . . 6232 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 4 4 LEU N N 15 122.005 0.1 . 1 . . . . . . . . 6232 1 2 . 1 1 4 4 LEU H H 1 7.980 0.01 . 1 . . . . . . . . 6232 1 3 . 1 1 4 4 LEU CA C 13 57.751 0.1 . 1 . . . . . . . . 6232 1 4 . 1 1 4 4 LEU CB C 13 46.081 0.1 . 1 . . . . . . . . 6232 1 5 . 1 1 5 5 LYS N N 15 126.460 0.1 . 1 . . . . . . . . 6232 1 6 . 1 1 5 5 LYS H H 1 8.467 0.01 . 1 . . . . . . . . 6232 1 7 . 1 1 5 5 LYS CA C 13 58.045 0.1 . 1 . . . . . . . . 6232 1 8 . 1 1 5 5 LYS CB C 13 37.647 0.1 . 1 . . . . . . . . 6232 1 9 . 1 1 6 6 LEU N N 15 123.606 0.1 . 1 . . . . . . . . 6232 1 10 . 1 1 6 6 LEU H H 1 8.434 0.01 . 1 . . . . . . . . 6232 1 11 . 1 1 6 6 LEU CA C 13 56.182 0.1 . 1 . . . . . . . . 6232 1 12 . 1 1 6 6 LEU CB C 13 46.669 0.1 . 1 . . . . . . . . 6232 1 13 . 1 1 7 7 ASP N N 15 123.014 0.1 . 1 . . . . . . . . 6232 1 14 . 1 1 7 7 ASP H H 1 8.218 0.01 . 1 . . . . . . . . 6232 1 15 . 1 1 7 7 ASP CA C 13 56.378 0.1 . 1 . . . . . . . . 6232 1 16 . 1 1 7 7 ASP HA H 1 4.874 0.01 . 1 . . . . . . . . 6232 1 17 . 1 1 7 7 ASP CB C 13 46.669 0.1 . 1 . . . . . . . . 6232 1 18 . 1 1 7 7 ASP HB2 H 1 2.570 0.01 . 1 . . . . . . . . 6232 1 19 . 1 1 7 7 ASP HB3 H 1 2.417 0.01 . 1 . . . . . . . . 6232 1 20 . 1 1 8 8 ILE N N 15 124.580 0.1 . 1 . . . . . . . . 6232 1 21 . 1 1 8 8 ILE H H 1 8.364 0.01 . 1 . . . . . . . . 6232 1 22 . 1 1 8 8 ILE CA C 13 63.733 0.1 . 1 . . . . . . . . 6232 1 23 . 1 1 8 8 ILE CB C 13 42.256 0.1 . 1 . . . . . . . . 6232 1 24 . 1 1 9 9 VAL N N 15 127.851 0.1 . 1 . . . . . . . . 6232 1 25 . 1 1 9 9 VAL H H 1 9.066 0.01 . 1 . . . . . . . . 6232 1 26 . 1 1 9 9 VAL CA C 13 63.505 0.1 . 1 . . . . . . . . 6232 1 27 . 1 1 9 9 VAL CB C 13 37.670 0.1 . 1 . . . . . . . . 6232 1 28 . 1 1 10 10 GLU N N 15 124.522 0.1 . 1 . . . . . . . . 6232 1 29 . 1 1 10 10 GLU H H 1 8.714 0.01 . 1 . . . . . . . . 6232 1 30 . 1 1 10 10 GLU CA C 13 58.378 0.1 . 1 . . . . . . . . 6232 1 31 . 1 1 10 10 GLU CB C 13 34.252 0.1 . 1 . . . . . . . . 6232 1 32 . 1 1 11 11 GLN N N 15 123.033 0.1 . 1 . . . . . . . . 6232 1 33 . 1 1 11 11 GLN H H 1 8.648 0.01 . 1 . . . . . . . . 6232 1 34 . 1 1 11 11 GLN CA C 13 57.163 0.1 . 1 . . . . . . . . 6232 1 35 . 1 1 13 13 ASP N N 15 117.804 0.1 . 1 . . . . . . . . 6232 1 36 . 1 1 13 13 ASP H H 1 8.720 0.01 . 1 . . . . . . . . 6232 1 37 . 1 1 13 13 ASP CA C 13 56.374 0.1 . 1 . . . . . . . . 6232 1 38 . 1 1 13 13 ASP HA H 1 4.588 0.01 . 1 . . . . . . . . 6232 1 39 . 1 1 13 13 ASP CB C 13 43.426 0.1 . 1 . . . . . . . . 6232 1 40 . 1 1 13 13 ASP HB2 H 1 2.740 0.01 . 1 . . . . . . . . 6232 1 41 . 1 1 14 14 LYS N N 15 116.456 0.1 . 1 . . . . . . . . 6232 1 42 . 1 1 14 14 LYS H H 1 7.867 0.01 . 1 . . . . . . . . 6232 1 43 . 1 1 14 14 LYS CA C 13 57.261 0.1 . 1 . . . . . . . . 6232 1 44 . 1 1 14 14 LYS CB C 13 38.235 0.1 . 1 . . . . . . . . 6232 1 45 . 1 1 15 15 ALA N N 15 123.033 0.1 . 1 . . . . . . . . 6232 1 46 . 1 1 15 15 ALA H H 1 8.664 0.01 . 1 . . . . . . . . 6232 1 47 . 1 1 15 15 ALA CA C 13 52.848 0.1 . 1 . . . . . . . . 6232 1 48 . 1 1 15 15 ALA HA H 1 5.095 0.01 . 1 . . . . . . . . 6232 1 49 . 1 1 15 15 ALA HB1 H 1 1.459 0.01 . 1 . . . . . . . . 6232 1 50 . 1 1 15 15 ALA HB2 H 1 1.459 0.01 . 1 . . . . . . . . 6232 1 51 . 1 1 15 15 ALA HB3 H 1 1.459 0.01 . 1 . . . . . . . . 6232 1 52 . 1 1 15 15 ALA CB C 13 24.015 0.1 . 1 . . . . . . . . 6232 1 53 . 1 1 16 16 ILE N N 15 123.282 0.1 . 1 . . . . . . . . 6232 1 54 . 1 1 16 16 ILE H H 1 9.245 0.01 . 1 . . . . . . . . 6232 1 55 . 1 1 16 16 ILE CA C 13 62.949 0.1 . 1 . . . . . . . . 6232 1 56 . 1 1 16 16 ILE CB C 13 42.256 0.1 . 1 . . . . . . . . 6232 1 57 . 1 1 17 17 VAL N N 15 127.883 0.1 . 1 . . . . . . . . 6232 1 58 . 1 1 17 17 VAL H H 1 9.418 0.01 . 1 . . . . . . . . 6232 1 59 . 1 1 17 17 VAL CA C 13 63.103 0.1 . 1 . . . . . . . . 6232 1 60 . 1 1 17 17 VAL CB C 13 34.855 0.1 . 1 . . . . . . . . 6232 1 61 . 1 1 18 18 ARG N N 15 127.529 0.1 . 1 . . . . . . . . 6232 1 62 . 1 1 18 18 ARG H H 1 9.240 0.01 . 1 . . . . . . . . 6232 1 63 . 1 1 18 18 ARG CA C 13 58.278 0.1 . 1 . . . . . . . . 6232 1 64 . 1 1 18 18 ARG CB C 13 33.146 0.1 . 1 . . . . . . . . 6232 1 65 . 1 1 19 19 VAL N N 15 123.882 0.1 . 1 . . . . . . . . 6232 1 66 . 1 1 19 19 VAL H H 1 7.202 0.01 . 1 . . . . . . . . 6232 1 67 . 1 1 19 19 VAL CA C 13 63.807 0.1 . 1 . . . . . . . . 6232 1 68 . 1 1 19 19 VAL CB C 13 35.559 0.1 . 1 . . . . . . . . 6232 1 69 . 1 1 20 20 GLN N N 15 126.894 0.1 . 1 . . . . . . . . 6232 1 70 . 1 1 20 20 GLN H H 1 8.633 0.01 . 1 . . . . . . . . 6232 1 71 . 1 1 20 20 GLN CA C 13 57.373 0.1 . 1 . . . . . . . . 6232 1 72 . 1 1 20 20 GLN CB C 13 32.744 0.1 . 1 . . . . . . . . 6232 1 73 . 1 1 21 21 GLY N N 15 111.799 0.1 . 1 . . . . . . . . 6232 1 74 . 1 1 21 21 GLY H H 1 7.557 0.01 . 1 . . . . . . . . 6232 1 75 . 1 1 21 21 GLY CA C 13 46.571 0.1 . 1 . . . . . . . . 6232 1 76 . 1 1 22 22 ASP N N 15 116.718 0.1 . 1 . . . . . . . . 6232 1 77 . 1 1 22 22 ASP H H 1 7.794 0.01 . 1 . . . . . . . . 6232 1 78 . 1 1 22 22 ASP CA C 13 56.574 0.1 . 1 . . . . . . . . 6232 1 79 . 1 1 22 22 ASP HA H 1 4.999 0.01 . 1 . . . . . . . . 6232 1 80 . 1 1 22 22 ASP CB C 13 44.806 0.1 . 1 . . . . . . . . 6232 1 81 . 1 1 22 22 ASP HB2 H 1 2.585 0.01 . 1 . . . . . . . . 6232 1 82 . 1 1 22 22 ASP HB3 H 1 2.473 0.01 . 1 . . . . . . . . 6232 1 83 . 1 1 23 23 ILE N N 15 120.226 0.1 . 1 . . . . . . . . 6232 1 84 . 1 1 23 23 ILE H H 1 7.734 0.01 . 1 . . . . . . . . 6232 1 85 . 1 1 23 23 ILE CA C 13 62.949 0.1 . 1 . . . . . . . . 6232 1 86 . 1 1 23 23 ILE CB C 13 39.804 0.1 . 1 . . . . . . . . 6232 1 87 . 1 1 24 24 ASP N N 15 124.928 0.1 . 1 . . . . . . . . 6232 1 88 . 1 1 24 24 ASP H H 1 8.139 0.01 . 1 . . . . . . . . 6232 1 89 . 1 1 24 24 ASP CA C 13 54.515 0.1 . 1 . . . . . . . . 6232 1 90 . 1 1 24 24 ASP HA H 1 5.381 0.01 . 1 . . . . . . . . 6232 1 91 . 1 1 24 24 ASP CB C 13 47.160 0.1 . 1 . . . . . . . . 6232 1 92 . 1 1 24 24 ASP HB2 H 1 3.095 0.01 . 1 . . . . . . . . 6232 1 93 . 1 1 24 24 ASP HB3 H 1 2.384 0.01 . 1 . . . . . . . . 6232 1 94 . 1 1 25 25 ALA N N 15 122.550 0.1 . 1 . . . . . . . . 6232 1 95 . 1 1 25 25 ALA H H 1 9.484 0.01 . 1 . . . . . . . . 6232 1 96 . 1 1 25 25 ALA CA C 13 57.457 0.1 . 1 . . . . . . . . 6232 1 97 . 1 1 25 25 ALA HA H 1 3.751 0.01 . 1 . . . . . . . . 6232 1 98 . 1 1 25 25 ALA HB1 H 1 1.149 0.01 . 1 . . . . . . . . 6232 1 99 . 1 1 25 25 ALA HB2 H 1 1.149 0.01 . 1 . . . . . . . . 6232 1 100 . 1 1 25 25 ALA HB3 H 1 1.149 0.01 . 1 . . . . . . . . 6232 1 101 . 1 1 25 25 ALA CB C 13 20.877 0.1 . 1 . . . . . . . . 6232 1 102 . 1 1 26 26 TYR N N 15 116.527 0.1 . 1 . . . . . . . . 6232 1 103 . 1 1 26 26 TYR H H 1 7.887 0.01 . 1 . . . . . . . . 6232 1 104 . 1 1 26 26 TYR CA C 13 62.164 0.1 . 1 . . . . . . . . 6232 1 105 . 1 1 26 26 TYR HA H 1 4.324 0.01 . 1 . . . . . . . . 6232 1 106 . 1 1 26 26 TYR CB C 13 40.491 0.1 . 1 . . . . . . . . 6232 1 107 . 1 1 26 26 TYR HB2 H 1 3.106 0.01 . 1 . . . . . . . . 6232 1 108 . 1 1 27 27 ASN N N 15 116.231 0.1 . 1 . . . . . . . . 6232 1 109 . 1 1 27 27 ASN H H 1 8.265 0.01 . 1 . . . . . . . . 6232 1 110 . 1 1 27 27 ASN CA C 13 56.378 0.1 . 1 . . . . . . . . 6232 1 111 . 1 1 27 27 ASN HA H 1 4.968 0.01 . 1 . . . . . . . . 6232 1 112 . 1 1 27 27 ASN CB C 13 42.747 0.1 . 1 . . . . . . . . 6232 1 113 . 1 1 27 27 ASN HB2 H 1 3.089 0.01 . 1 . . . . . . . . 6232 1 114 . 1 1 27 27 ASN HB3 H 1 2.831 0.01 . 1 . . . . . . . . 6232 1 115 . 1 1 28 28 SER N N 15 117.070 0.1 . 1 . . . . . . . . 6232 1 116 . 1 1 28 28 SER H H 1 8.276 0.01 . 1 . . . . . . . . 6232 1 117 . 1 1 28 28 SER CA C 13 67.362 0.1 . 1 . . . . . . . . 6232 1 118 . 1 1 28 28 SER CB C 13 65.793 0.1 . 1 . . . . . . . . 6232 1 119 . 1 1 29 29 SER CA C 13 64.433 0.1 . 1 . . . . . . . . 6232 1 120 . 1 1 30 30 GLU N N 15 123.053 0.1 . 1 . . . . . . . . 6232 1 121 . 1 1 30 30 GLU H H 1 7.838 0.01 . 1 . . . . . . . . 6232 1 122 . 1 1 30 30 GLU CA C 13 61.870 0.1 . 1 . . . . . . . . 6232 1 123 . 1 1 30 30 GLU CB C 13 32.057 0.1 . 1 . . . . . . . . 6232 1 124 . 1 1 31 31 LEU N N 15 119.494 0.1 . 1 . . . . . . . . 6232 1 125 . 1 1 31 31 LEU H H 1 7.768 0.01 . 1 . . . . . . . . 6232 1 126 . 1 1 31 31 LEU CA C 13 61.083 0.1 . 1 . . . . . . . . 6232 1 127 . 1 1 31 31 LEU CB C 13 44.331 0.1 . 1 . . . . . . . . 6232 1 128 . 1 1 32 32 LYS N N 15 117.199 0.1 . 1 . . . . . . . . 6232 1 129 . 1 1 32 32 LYS H H 1 8.165 0.01 . 1 . . . . . . . . 6232 1 130 . 1 1 32 32 LYS CA C 13 62.441 0.1 . 1 . . . . . . . . 6232 1 131 . 1 1 32 32 LYS CB C 13 34.733 0.1 . 1 . . . . . . . . 6232 1 132 . 1 1 33 33 GLU N N 15 117.558 0.1 . 1 . . . . . . . . 6232 1 133 . 1 1 33 33 GLU H H 1 8.020 0.01 . 1 . . . . . . . . 6232 1 134 . 1 1 33 33 GLU CA C 13 61.988 0.1 . 1 . . . . . . . . 6232 1 135 . 1 1 33 33 GLU CB C 13 32.379 0.1 . 1 . . . . . . . . 6232 1 136 . 1 1 34 34 GLN N N 15 116.493 0.1 . 1 . . . . . . . . 6232 1 137 . 1 1 34 34 GLN H H 1 8.379 0.01 . 1 . . . . . . . . 6232 1 138 . 1 1 34 34 GLN CA C 13 61.968 0.1 . 1 . . . . . . . . 6232 1 139 . 1 1 34 34 GLN CB C 13 31.468 0.1 . 1 . . . . . . . . 6232 1 140 . 1 1 35 35 LEU N N 15 119.565 0.1 . 1 . . . . . . . . 6232 1 141 . 1 1 35 35 LEU H H 1 8.461 0.01 . 1 . . . . . . . . 6232 1 142 . 1 1 35 35 LEU CA C 13 59.944 0.1 . 1 . . . . . . . . 6232 1 143 . 1 1 35 35 LEU CB C 13 42.795 0.1 . 1 . . . . . . . . 6232 1 144 . 1 1 36 36 ARG N N 15 121.228 0.1 . 1 . . . . . . . . 6232 1 145 . 1 1 36 36 ARG H H 1 8.691 0.01 . 1 . . . . . . . . 6232 1 146 . 1 1 36 36 ARG CA C 13 63.439 0.1 . 1 . . . . . . . . 6232 1 147 . 1 1 36 36 ARG CB C 13 32.645 0.1 . 1 . . . . . . . . 6232 1 148 . 1 1 37 37 ASN N N 15 117.470 0.1 . 1 . . . . . . . . 6232 1 149 . 1 1 37 37 ASN H H 1 7.867 0.01 . 1 . . . . . . . . 6232 1 150 . 1 1 37 37 ASN CA C 13 58.536 0.1 . 1 . . . . . . . . 6232 1 151 . 1 1 37 37 ASN HA H 1 4.375 0.01 . 1 . . . . . . . . 6232 1 152 . 1 1 37 37 ASN CB C 13 40.883 0.1 . 1 . . . . . . . . 6232 1 153 . 1 1 37 37 ASN HB2 H 1 2.839 0.01 . 1 . . . . . . . . 6232 1 154 . 1 1 38 38 PHE N N 15 120.944 0.1 . 1 . . . . . . . . 6232 1 155 . 1 1 38 38 PHE H H 1 8.001 0.01 . 1 . . . . . . . . 6232 1 156 . 1 1 38 38 PHE CA C 13 63.832 0.1 . 1 . . . . . . . . 6232 1 157 . 1 1 38 38 PHE HA H 1 4.214 0.01 . 1 . . . . . . . . 6232 1 158 . 1 1 38 38 PHE CB C 13 42.060 0.1 . 1 . . . . . . . . 6232 1 159 . 1 1 38 38 PHE HB2 H 1 3.327 0.01 . 1 . . . . . . . . 6232 1 160 . 1 1 38 38 PHE HB3 H 1 2.943 0.01 . 1 . . . . . . . . 6232 1 161 . 1 1 39 39 ILE N N 15 119.711 0.1 . 1 . . . . . . . . 6232 1 162 . 1 1 39 39 ILE H H 1 9.067 0.01 . 1 . . . . . . . . 6232 1 163 . 1 1 39 39 ILE CA C 13 68.147 0.1 . 1 . . . . . . . . 6232 1 164 . 1 1 39 39 ILE CB C 13 40.393 0.1 . 1 . . . . . . . . 6232 1 165 . 1 1 40 40 SER N N 15 109.867 0.1 . 1 . . . . . . . . 6232 1 166 . 1 1 40 40 SER H H 1 7.400 0.01 . 1 . . . . . . . . 6232 1 167 . 1 1 40 40 SER CA C 13 63.047 0.1 . 1 . . . . . . . . 6232 1 168 . 1 1 40 40 SER CB C 13 66.185 0.1 . 1 . . . . . . . . 6232 1 169 . 1 1 41 41 THR N N 15 110.550 0.1 . 1 . . . . . . . . 6232 1 170 . 1 1 41 41 THR H H 1 7.356 0.01 . 1 . . . . . . . . 6232 1 171 . 1 1 41 41 THR CA C 13 65.303 0.1 . 1 . . . . . . . . 6232 1 172 . 1 1 41 41 THR CB C 13 70.81 0.1 . 1 . . . . . . . . 6232 1 173 . 1 1 42 42 THR N N 15 117.712 0.1 . 1 . . . . . . . . 6232 1 174 . 1 1 42 42 THR H H 1 7.583 0.01 . 1 . . . . . . . . 6232 1 175 . 1 1 42 42 THR CA C 13 64.252 0.1 . 1 . . . . . . . . 6232 1 176 . 1 1 43 43 SER CA C 13 61.083 0.1 . 1 . . . . . . . . 6232 1 177 . 1 1 43 43 SER CB C 13 66.063 0.1 . 1 . . . . . . . . 6232 1 178 . 1 1 44 44 LYS N N 15 122.314 0.1 . 1 . . . . . . . . 6232 1 179 . 1 1 44 44 LYS H H 1 8.248 0.01 . 1 . . . . . . . . 6232 1 180 . 1 1 44 44 LYS CA C 13 56.967 0.1 . 1 . . . . . . . . 6232 1 181 . 1 1 44 44 LYS CB C 13 34.312 0.1 . 1 . . . . . . . . 6232 1 182 . 1 1 45 45 LYS N N 15 120.485 0.1 . 1 . . . . . . . . 6232 1 183 . 1 1 45 45 LYS H H 1 8.398 0.01 . 1 . . . . . . . . 6232 1 184 . 1 1 45 45 LYS CA C 13 60.105 0.1 . 1 . . . . . . . . 6232 1 185 . 1 1 45 45 LYS CB C 13 36.274 0.1 . 1 . . . . . . . . 6232 1 186 . 1 1 46 46 LYS N N 15 117.394 0.1 . 1 . . . . . . . . 6232 1 187 . 1 1 46 46 LYS H H 1 7.308 0.01 . 1 . . . . . . . . 6232 1 188 . 1 1 46 46 LYS CA C 13 58.045 0.1 . 1 . . . . . . . . 6232 1 189 . 1 1 46 46 LYS CB C 13 37.647 0.1 . 1 . . . . . . . . 6232 1 190 . 1 1 47 47 ILE N N 15 125.671 0.1 . 1 . . . . . . . . 6232 1 191 . 1 1 47 47 ILE H H 1 8.918 0.01 . 1 . . . . . . . . 6232 1 192 . 1 1 47 47 ILE CA C 13 61.902 0.1 . 1 . . . . . . . . 6232 1 193 . 1 1 47 47 ILE CB C 13 41.993 0.1 . 1 . . . . . . . . 6232 1 194 . 1 1 48 48 VAL N N 15 126.833 0.1 . 1 . . . . . . . . 6232 1 195 . 1 1 48 48 VAL H H 1 9.022 0.01 . 1 . . . . . . . . 6232 1 196 . 1 1 48 48 VAL CA C 13 62.006 0.1 . 1 . . . . . . . . 6232 1 197 . 1 1 48 48 VAL CB C 13 36.263 0.1 . 1 . . . . . . . . 6232 1 198 . 1 1 49 49 LEU N N 15 128.879 0.1 . 1 . . . . . . . . 6232 1 199 . 1 1 49 49 LEU H H 1 9.168 0.01 . 1 . . . . . . . . 6232 1 200 . 1 1 49 49 LEU CA C 13 55.966 0.1 . 1 . . . . . . . . 6232 1 201 . 1 1 49 49 LEU CB C 13 45.209 0.1 . 1 . . . . . . . . 6232 1 202 . 1 1 50 50 ASP N N 15 125.462 0.1 . 1 . . . . . . . . 6232 1 203 . 1 1 50 50 ASP H H 1 8.810 0.01 . 1 . . . . . . . . 6232 1 204 . 1 1 50 50 ASP CA C 13 55.765 0.1 . 1 . . . . . . . . 6232 1 205 . 1 1 50 50 ASP HA H 1 4.497 0.01 . 1 . . . . . . . . 6232 1 206 . 1 1 50 50 ASP CB C 13 43.903 0.1 . 1 . . . . . . . . 6232 1 207 . 1 1 50 50 ASP HB2 H 1 2.804 0.01 . 1 . . . . . . . . 6232 1 208 . 1 1 50 50 ASP HB3 H 1 2.113 0.01 . 1 . . . . . . . . 6232 1 209 . 1 1 51 51 LEU N N 15 126.878 0.1 . 1 . . . . . . . . 6232 1 210 . 1 1 51 51 LEU H H 1 8.411 0.01 . 1 . . . . . . . . 6232 1 211 . 1 1 51 51 LEU CA C 13 56.267 0.1 . 1 . . . . . . . . 6232 1 212 . 1 1 51 51 LEU CB C 13 43.199 0.1 . 1 . . . . . . . . 6232 1 213 . 1 1 52 52 SER N N 15 119.677 0.1 . 1 . . . . . . . . 6232 1 214 . 1 1 52 52 SER H H 1 8.836 0.01 . 1 . . . . . . . . 6232 1 215 . 1 1 52 52 SER CA C 13 65.725 0.1 . 1 . . . . . . . . 6232 1 216 . 1 1 53 53 SER N N 15 114.768 0.1 . 1 . . . . . . . . 6232 1 217 . 1 1 53 53 SER H H 1 8.967 0.01 . 1 . . . . . . . . 6232 1 218 . 1 1 53 53 SER CA C 13 59.944 0.1 . 1 . . . . . . . . 6232 1 219 . 1 1 54 54 VAL N N 15 123.765 0.1 . 1 . . . . . . . . 6232 1 220 . 1 1 54 54 VAL H H 1 7.705 0.01 . 1 . . . . . . . . 6232 1 221 . 1 1 54 54 VAL CA C 13 64.954 0.1 . 1 . . . . . . . . 6232 1 222 . 1 1 54 54 VAL CB C 13 34.702 0.1 . 1 . . . . . . . . 6232 1 223 . 1 1 55 55 SER N N 15 121.877 0.1 . 1 . . . . . . . . 6232 1 224 . 1 1 55 55 SER H H 1 8.714 0.01 . 1 . . . . . . . . 6232 1 225 . 1 1 55 55 SER CA C 13 61.967 0.1 . 1 . . . . . . . . 6232 1 226 . 1 1 55 55 SER CB C 13 67.073 0.1 . 1 . . . . . . . . 6232 1 227 . 1 1 56 56 TYR N N 15 122.457 0.1 . 1 . . . . . . . . 6232 1 228 . 1 1 56 56 TYR H H 1 7.781 0.01 . 1 . . . . . . . . 6232 1 229 . 1 1 56 56 TYR CA C 13 60.137 0.1 . 1 . . . . . . . . 6232 1 230 . 1 1 56 56 TYR HA H 1 4.532 0.01 . 1 . . . . . . . . 6232 1 231 . 1 1 56 56 TYR CB C 13 44.047 0.1 . 1 . . . . . . . . 6232 1 232 . 1 1 56 56 TYR HB2 H 1 2.859 0.01 . 1 . . . . . . . . 6232 1 233 . 1 1 56 56 TYR HB3 H 1 2.623 0.01 . 1 . . . . . . . . 6232 1 234 . 1 1 57 57 MET N N 15 124.776 0.1 . 1 . . . . . . . . 6232 1 235 . 1 1 57 57 MET H H 1 7.159 0.01 . 1 . . . . . . . . 6232 1 236 . 1 1 57 57 MET CA C 13 56.476 0.1 . 1 . . . . . . . . 6232 1 237 . 1 1 57 57 MET CB C 13 40.193 0.1 . 1 . . . . . . . . 6232 1 238 . 1 1 58 58 ASP N N 15 124.698 0.1 . 1 . . . . . . . . 6232 1 239 . 1 1 58 58 ASP H H 1 7.501 0.01 . 1 . . . . . . . . 6232 1 240 . 1 1 58 58 ASP CA C 13 54.549 0.1 . 1 . . . . . . . . 6232 1 241 . 1 1 58 58 ASP HA H 1 4.667 0.01 . 1 . . . . . . . . 6232 1 242 . 1 1 58 58 ASP CB C 13 44.625 0.1 . 1 . . . . . . . . 6232 1 243 . 1 1 58 58 ASP HB2 H 1 3.313 0.01 . 1 . . . . . . . . 6232 1 244 . 1 1 58 58 ASP HB3 H 1 2.715 0.01 . 1 . . . . . . . . 6232 1 245 . 1 1 59 59 SEP N N 15 116.146 0.1 . 1 . . . . . . . . 6232 1 246 . 1 1 59 59 SEP H H 1 10.049 0.01 . 1 . . . . . . . . 6232 1 247 . 1 1 59 59 SEP CA C 13 63.701 0.1 . 1 . . . . . . . . 6232 1 248 . 1 1 59 59 SEP CB C 13 67.073 0.1 . 1 . . . . . . . . 6232 1 249 . 1 1 60 60 ALA N N 15 125.644 0.1 . 1 . . . . . . . . 6232 1 250 . 1 1 60 60 ALA H H 1 7.794 0.01 . 1 . . . . . . . . 6232 1 251 . 1 1 60 60 ALA CA C 13 57.054 0.1 . 1 . . . . . . . . 6232 1 252 . 1 1 60 60 ALA HA H 1 4.031 0.01 . 1 . . . . . . . . 6232 1 253 . 1 1 60 60 ALA HB1 H 1 1.360 0.01 . 1 . . . . . . . . 6232 1 254 . 1 1 60 60 ALA HB2 H 1 1.360 0.01 . 1 . . . . . . . . 6232 1 255 . 1 1 60 60 ALA HB3 H 1 1.360 0.01 . 1 . . . . . . . . 6232 1 256 . 1 1 60 60 ALA CB C 13 20.057 0.1 . 1 . . . . . . . . 6232 1 257 . 1 1 61 61 GLY N N 15 110.645 0.1 . 1 . . . . . . . . 6232 1 258 . 1 1 61 61 GLY H H 1 8.714 0.01 . 1 . . . . . . . . 6232 1 259 . 1 1 61 61 GLY CA C 13 50.406 0.1 . 1 . . . . . . . . 6232 1 260 . 1 1 62 62 LEU N N 15 122.376 0.1 . 1 . . . . . . . . 6232 1 261 . 1 1 62 62 LEU H H 1 8.137 0.01 . 1 . . . . . . . . 6232 1 262 . 1 1 62 62 LEU CA C 13 60.522 0.1 . 1 . . . . . . . . 6232 1 263 . 1 1 62 62 LEU CB C 13 44.625 0.1 . 1 . . . . . . . . 6232 1 264 . 1 1 63 63 GLY N N 15 102.558 0.1 . 1 . . . . . . . . 6232 1 265 . 1 1 63 63 GLY H H 1 7.995 0.01 . 1 . . . . . . . . 6232 1 266 . 1 1 63 63 GLY CA C 13 49.924 0.1 . 1 . . . . . . . . 6232 1 267 . 1 1 64 64 THR N N 15 117.469 0.1 . 1 . . . . . . . . 6232 1 268 . 1 1 64 64 THR H H 1 7.862 0.01 . 1 . . . . . . . . 6232 1 269 . 1 1 64 64 THR CA C 13 70.156 0.1 . 1 . . . . . . . . 6232 1 270 . 1 1 64 64 THR CB C 13 70.44 0.1 . 1 . . . . . . . . 6232 1 271 . 1 1 65 65 LEU N N 15 120.992 0.1 . 1 . . . . . . . . 6232 1 272 . 1 1 65 65 LEU H H 1 8.048 0.01 . 1 . . . . . . . . 6232 1 273 . 1 1 65 65 LEU CA C 13 61.196 0.1 . 1 . . . . . . . . 6232 1 274 . 1 1 65 65 LEU CB C 13 44.143 0.1 . 1 . . . . . . . . 6232 1 275 . 1 1 66 66 VAL N N 15 116.306 0.1 . 1 . . . . . . . . 6232 1 276 . 1 1 66 66 VAL H H 1 7.398 0.01 . 1 . . . . . . . . 6232 1 277 . 1 1 66 66 VAL CA C 13 69.289 0.1 . 1 . . . . . . . . 6232 1 278 . 1 1 66 66 VAL CB C 13 33.835 0.1 . 1 . . . . . . . . 6232 1 279 . 1 1 67 67 VAL N N 15 120.695 0.1 . 1 . . . . . . . . 6232 1 280 . 1 1 67 67 VAL H H 1 7.644 0.01 . 1 . . . . . . . . 6232 1 281 . 1 1 67 67 VAL CA C 13 69.289 0.1 . 1 . . . . . . . . 6232 1 282 . 1 1 67 67 VAL CB C 13 33.738 0.1 . 1 . . . . . . . . 6232 1 283 . 1 1 68 68 ILE N N 15 119.262 0.1 . 1 . . . . . . . . 6232 1 284 . 1 1 68 68 ILE H H 1 8.125 0.01 . 1 . . . . . . . . 6232 1 285 . 1 1 68 68 ILE CA C 13 65.917 0.1 . 1 . . . . . . . . 6232 1 286 . 1 1 68 68 ILE CB C 13 39.230 0.1 . 1 . . . . . . . . 6232 1 287 . 1 1 69 69 LEU N N 15 121.145 0.1 . 1 . . . . . . . . 6232 1 288 . 1 1 69 69 LEU H H 1 7.829 0.01 . 1 . . . . . . . . 6232 1 289 . 1 1 69 69 LEU CA C 13 60.715 0.1 . 1 . . . . . . . . 6232 1 290 . 1 1 69 69 LEU CB C 13 43.854 0.1 . 1 . . . . . . . . 6232 1 291 . 1 1 70 70 LYS N N 15 119.194 0.1 . 1 . . . . . . . . 6232 1 292 . 1 1 70 70 LYS H H 1 7.825 0.01 . 1 . . . . . . . . 6232 1 293 . 1 1 70 70 LYS CA C 13 63.316 0.1 . 1 . . . . . . . . 6232 1 294 . 1 1 70 70 LYS CB C 13 32.486 0.1 . 1 . . . . . . . . 6232 1 295 . 1 1 71 71 ASP N N 15 120.014 0.1 . 1 . . . . . . . . 6232 1 296 . 1 1 71 71 ASP H H 1 8.074 0.01 . 1 . . . . . . . . 6232 1 297 . 1 1 71 71 ASP CA C 13 60.087 0.1 . 1 . . . . . . . . 6232 1 298 . 1 1 71 71 ASP HA H 1 4.281 0.01 . 1 . . . . . . . . 6232 1 299 . 1 1 71 71 ASP CB C 13 42.882 0.1 . 1 . . . . . . . . 6232 1 300 . 1 1 71 71 ASP HB2 H 1 2.751 0.01 . 1 . . . . . . . . 6232 1 301 . 1 1 71 71 ASP HB3 H 1 2.331 0.01 . 1 . . . . . . . . 6232 1 302 . 1 1 72 72 ALA N N 15 123.443 0.1 . 1 . . . . . . . . 6232 1 303 . 1 1 72 72 ALA H H 1 8.870 0.01 . 1 . . . . . . . . 6232 1 304 . 1 1 72 72 ALA CA C 13 58.306 0.1 . 1 . . . . . . . . 6232 1 305 . 1 1 72 72 ALA HA H 1 3.752 0.01 . 1 . . . . . . . . 6232 1 306 . 1 1 72 72 ALA HB1 H 1 1.351 0.01 . 1 . . . . . . . . 6232 1 307 . 1 1 72 72 ALA HB2 H 1 1.351 0.01 . 1 . . . . . . . . 6232 1 308 . 1 1 72 72 ALA HB3 H 1 1.351 0.01 . 1 . . . . . . . . 6232 1 309 . 1 1 72 72 ALA CB C 13 20.057 0.1 . 1 . . . . . . . . 6232 1 310 . 1 1 73 73 LYS N N 15 117.692 0.1 . 1 . . . . . . . . 6232 1 311 . 1 1 73 73 LYS H H 1 8.566 0.01 . 1 . . . . . . . . 6232 1 312 . 1 1 73 73 LYS CA C 13 61.100 0.1 . 1 . . . . . . . . 6232 1 313 . 1 1 73 73 LYS CB C 13 34.316 0.1 . 1 . . . . . . . . 6232 1 314 . 1 1 74 74 ILE N N 15 120.350 0.1 . 1 . . . . . . . . 6232 1 315 . 1 1 74 74 ILE H H 1 8.668 0.01 . 1 . . . . . . . . 6232 1 316 . 1 1 74 74 ILE CA C 13 67.073 0.1 . 1 . . . . . . . . 6232 1 317 . 1 1 74 74 ILE CB C 13 40.097 0.1 . 1 . . . . . . . . 6232 1 318 . 1 1 75 75 ASN N N 15 115.987 0.1 . 1 . . . . . . . . 6232 1 319 . 1 1 75 75 ASN H H 1 7.353 0.01 . 1 . . . . . . . . 6232 1 320 . 1 1 75 75 ASN CA C 13 56.476 0.1 . 1 . . . . . . . . 6232 1 321 . 1 1 75 75 ASN HA H 1 4.728 0.01 . 1 . . . . . . . . 6232 1 322 . 1 1 75 75 ASN CB C 13 42.891 0.1 . 1 . . . . . . . . 6232 1 323 . 1 1 75 75 ASN HB2 H 1 2.790 0.01 . 1 . . . . . . . . 6232 1 324 . 1 1 75 75 ASN HB3 H 1 2.452 0.01 . 1 . . . . . . . . 6232 1 325 . 1 1 76 76 GLY N N 15 108.313 0.1 . 1 . . . . . . . . 6232 1 326 . 1 1 76 76 GLY H H 1 7.801 0.01 . 1 . . . . . . . . 6232 1 327 . 1 1 76 76 GLY CA C 13 49.539 0.1 . 1 . . . . . . . . 6232 1 328 . 1 1 77 77 LYS N N 15 117.120 0.1 . 1 . . . . . . . . 6232 1 329 . 1 1 77 77 LYS H H 1 8.427 0.01 . 1 . . . . . . . . 6232 1 330 . 1 1 77 77 LYS CA C 13 55.994 0.1 . 1 . . . . . . . . 6232 1 331 . 1 1 77 77 LYS CB C 13 36.629 0.1 . 1 . . . . . . . . 6232 1 332 . 1 1 78 78 GLU N N 15 122.063 0.1 . 1 . . . . . . . . 6232 1 333 . 1 1 78 78 GLU H H 1 8.577 0.01 . 1 . . . . . . . . 6232 1 334 . 1 1 78 78 GLU CA C 13 58.306 0.1 . 1 . . . . . . . . 6232 1 335 . 1 1 78 78 GLU CB C 13 34.124 0.1 . 1 . . . . . . . . 6232 1 336 . 1 1 79 79 PHE N N 15 127.346 0.1 . 1 . . . . . . . . 6232 1 337 . 1 1 79 79 PHE H H 1 8.542 0.01 . 1 . . . . . . . . 6232 1 338 . 1 1 79 79 PHE CA C 13 58.499 0.1 . 1 . . . . . . . . 6232 1 339 . 1 1 79 79 PHE HA H 1 5.547 0.01 . 1 . . . . . . . . 6232 1 340 . 1 1 79 79 PHE CB C 13 44.625 0.1 . 1 . . . . . . . . 6232 1 341 . 1 1 79 79 PHE HB2 H 1 3.126 0.01 . 1 . . . . . . . . 6232 1 342 . 1 1 79 79 PHE HB3 H 1 2.599 0.01 . 1 . . . . . . . . 6232 1 343 . 1 1 80 80 ILE N N 15 129.965 0.1 . 1 . . . . . . . . 6232 1 344 . 1 1 80 80 ILE H H 1 8.701 0.01 . 1 . . . . . . . . 6232 1 345 . 1 1 80 80 ILE CA C 13 62.256 0.1 . 1 . . . . . . . . 6232 1 346 . 1 1 80 80 ILE CB C 13 45.011 0.1 . 1 . . . . . . . . 6232 1 347 . 1 1 81 81 LEU N N 15 123.873 0.1 . 1 . . . . . . . . 6232 1 348 . 1 1 81 81 LEU H H 1 8.514 0.01 . 1 . . . . . . . . 6232 1 349 . 1 1 81 81 LEU CA C 13 55.416 0.1 . 1 . . . . . . . . 6232 1 350 . 1 1 81 81 LEU CB C 13 46.648 0.1 . 1 . . . . . . . . 6232 1 351 . 1 1 82 82 SER N N 15 114.168 0.1 . 1 . . . . . . . . 6232 1 352 . 1 1 82 82 SER H H 1 8.403 0.01 . 1 . . . . . . . . 6232 1 353 . 1 1 82 82 SER CA C 13 58.884 0.1 . 1 . . . . . . . . 6232 1 354 . 1 1 82 82 SER CB C 13 69.675 0.1 . 1 . . . . . . . . 6232 1 355 . 1 1 83 83 SER N N 15 115.312 0.1 . 1 . . . . . . . . 6232 1 356 . 1 1 83 83 SER H H 1 7.592 0.01 . 1 . . . . . . . . 6232 1 357 . 1 1 83 83 SER CA C 13 60.040 0.1 . 1 . . . . . . . . 6232 1 358 . 1 1 83 83 SER CB C 13 63.701 0.1 . 1 . . . . . . . . 6232 1 359 . 1 1 84 84 LEU N N 15 118.601 0.1 . 1 . . . . . . . . 6232 1 360 . 1 1 84 84 LEU H H 1 8.199 0.01 . 1 . . . . . . . . 6232 1 361 . 1 1 84 84 LEU CA C 13 58.402 0.1 . 1 . . . . . . . . 6232 1 362 . 1 1 84 84 LEU CB C 13 45.107 0.1 . 1 . . . . . . . . 6232 1 363 . 1 1 85 85 LYS N N 15 123.397 0.1 . 1 . . . . . . . . 6232 1 364 . 1 1 85 85 LYS H H 1 9.328 0.01 . 1 . . . . . . . . 6232 1 365 . 1 1 85 85 LYS CA C 13 58.276 0.1 . 1 . . . . . . . . 6232 1 366 . 1 1 85 85 LYS CB C 13 36.182 0.1 . 1 . . . . . . . . 6232 1 367 . 1 1 87 87 SER N N 15 117.535 0.1 . 1 . . . . . . . . 6232 1 368 . 1 1 87 87 SER H H 1 8.343 0.01 . 1 . . . . . . . . 6232 1 369 . 1 1 87 87 SER CA C 13 64.524 0.1 . 1 . . . . . . . . 6232 1 370 . 1 1 88 88 ILE N N 15 121.032 0.1 . 1 . . . . . . . . 6232 1 371 . 1 1 88 88 ILE H H 1 7.132 0.01 . 1 . . . . . . . . 6232 1 372 . 1 1 88 88 ILE CA C 13 65.067 0.1 . 1 . . . . . . . . 6232 1 373 . 1 1 88 88 ILE CB C 13 39.623 0.1 . 1 . . . . . . . . 6232 1 374 . 1 1 89 89 SER N N 15 115.743 0.1 . 1 . . . . . . . . 6232 1 375 . 1 1 89 89 SER H H 1 8.398 0.01 . 1 . . . . . . . . 6232 1 376 . 1 1 89 89 SER CA C 13 64.433 0.1 . 1 . . . . . . . . 6232 1 377 . 1 1 90 90 ARG N N 15 118.533 0.1 . 1 . . . . . . . . 6232 1 378 . 1 1 90 90 ARG H H 1 8.437 0.01 . 1 . . . . . . . . 6232 1 379 . 1 1 90 90 ARG CA C 13 62.079 0.1 . 1 . . . . . . . . 6232 1 380 . 1 1 90 90 ARG CB C 13 32.741 0.1 . 1 . . . . . . . . 6232 1 381 . 1 1 91 91 ILE N N 15 118.181 0.1 . 1 . . . . . . . . 6232 1 382 . 1 1 91 91 ILE H H 1 7.080 0.01 . 1 . . . . . . . . 6232 1 383 . 1 1 91 91 ILE CA C 13 65.731 0.1 . 1 . . . . . . . . 6232 1 384 . 1 1 91 91 ILE CB C 13 40.372 0.1 . 1 . . . . . . . . 6232 1 385 . 1 1 92 92 LEU N N 15 121.239 0.1 . 1 . . . . . . . . 6232 1 386 . 1 1 92 92 LEU H H 1 7.587 0.01 . 1 . . . . . . . . 6232 1 387 . 1 1 92 92 LEU CA C 13 60.697 0.1 . 1 . . . . . . . . 6232 1 388 . 1 1 92 92 LEU CB C 13 43.031 0.1 . 1 . . . . . . . . 6232 1 389 . 1 1 93 93 LYS N N 15 117.894 0.1 . 1 . . . . . . . . 6232 1 390 . 1 1 93 93 LYS H H 1 8.154 0.01 . 1 . . . . . . . . 6232 1 391 . 1 1 93 93 LYS CA C 13 61.742 0.1 . 1 . . . . . . . . 6232 1 392 . 1 1 93 93 LYS CB C 13 34.863 0.1 . 1 . . . . . . . . 6232 1 393 . 1 1 94 94 LEU N N 15 120.951 0.1 . 1 . . . . . . . . 6232 1 394 . 1 1 94 94 LEU H H 1 8.024 0.01 . 1 . . . . . . . . 6232 1 395 . 1 1 94 94 LEU CA C 13 60.317 0.1 . 1 . . . . . . . . 6232 1 396 . 1 1 94 94 LEU CB C 13 45.501 0.1 . 1 . . . . . . . . 6232 1 397 . 1 1 95 95 THR N N 15 102.954 0.1 . 1 . . . . . . . . 6232 1 398 . 1 1 95 95 THR H H 1 7.114 0.01 . 1 . . . . . . . . 6232 1 399 . 1 1 95 95 THR CA C 13 64.211 0.1 . 1 . . . . . . . . 6232 1 400 . 1 1 95 95 THR CB C 13 70.43 0.1 . 1 . . . . . . . . 6232 1 401 . 1 1 96 96 HIS N N 15 109.742 0.1 . 1 . . . . . . . . 6232 1 402 . 1 1 96 96 HIS H H 1 7.285 0.01 . 1 . . . . . . . . 6232 1 403 . 1 1 96 96 HIS CA C 13 60.032 0.1 . 1 . . . . . . . . 6232 1 404 . 1 1 96 96 HIS HA H 1 4.508 0.01 . 1 . . . . . . . . 6232 1 405 . 1 1 96 96 HIS CB C 13 29.640 0.1 . 1 . . . . . . . . 6232 1 406 . 1 1 96 96 HIS HB2 H 1 3.791 0.01 . 1 . . . . . . . . 6232 1 407 . 1 1 96 96 HIS HB3 H 1 3.367 0.01 . 1 . . . . . . . . 6232 1 408 . 1 1 97 97 LEU N N 15 119.397 0.1 . 1 . . . . . . . . 6232 1 409 . 1 1 97 97 LEU H H 1 8.199 0.01 . 1 . . . . . . . . 6232 1 410 . 1 1 97 97 LEU CA C 13 60.032 0.1 . 1 . . . . . . . . 6232 1 411 . 1 1 97 97 LEU CB C 13 44.836 0.1 . 1 . . . . . . . . 6232 1 412 . 1 1 98 98 ASP N N 15 117.961 0.1 . 1 . . . . . . . . 6232 1 413 . 1 1 98 98 ASP H H 1 8.599 0.01 . 1 . . . . . . . . 6232 1 414 . 1 1 98 98 ASP CA C 13 58.228 0.1 . 1 . . . . . . . . 6232 1 415 . 1 1 98 98 ASP HA H 1 4.209 0.01 . 1 . . . . . . . . 6232 1 416 . 1 1 98 98 ASP CB C 13 41.350 0.1 . 1 . . . . . . . . 6232 1 417 . 1 1 98 98 ASP HB2 H 1 2.748 0.01 . 1 . . . . . . . . 6232 1 418 . 1 1 98 98 ASP HB3 H 1 2.132 0.01 . 1 . . . . . . . . 6232 1 419 . 1 1 99 99 LYS N N 15 116.287 0.1 . 1 . . . . . . . . 6232 1 420 . 1 1 99 99 LYS H H 1 7.649 0.01 . 1 . . . . . . . . 6232 1 421 . 1 1 99 99 LYS CA C 13 59.944 0.1 . 1 . . . . . . . . 6232 1 422 . 1 1 99 99 LYS CB C 13 35.183 0.1 . 1 . . . . . . . . 6232 1 423 . 1 1 100 100 ILE N N 15 112.930 0.1 . 1 . . . . . . . . 6232 1 424 . 1 1 100 100 ILE H H 1 7.412 0.01 . 1 . . . . . . . . 6232 1 425 . 1 1 100 100 ILE CA C 13 63.799 0.1 . 1 . . . . . . . . 6232 1 426 . 1 1 100 100 ILE CB C 13 41.252 0.1 . 1 . . . . . . . . 6232 1 427 . 1 1 101 101 PHE N N 15 118.669 0.1 . 1 . . . . . . . . 6232 1 428 . 1 1 101 101 PHE H H 1 7.478 0.01 . 1 . . . . . . . . 6232 1 429 . 1 1 101 101 PHE CA C 13 60.177 0.1 . 1 . . . . . . . . 6232 1 430 . 1 1 101 101 PHE HA H 1 4.778 0.01 . 1 . . . . . . . . 6232 1 431 . 1 1 101 101 PHE CB C 13 43.788 0.1 . 1 . . . . . . . . 6232 1 432 . 1 1 101 101 PHE HB2 H 1 2.887 0.01 . 1 . . . . . . . . 6232 1 433 . 1 1 101 101 PHE HB3 H 1 2.625 0.01 . 1 . . . . . . . . 6232 1 434 . 1 1 102 102 LYS N N 15 123.067 0.1 . 1 . . . . . . . . 6232 1 435 . 1 1 102 102 LYS H H 1 8.648 0.01 . 1 . . . . . . . . 6232 1 436 . 1 1 102 102 LYS CA C 13 58.728 0.1 . 1 . . . . . . . . 6232 1 437 . 1 1 102 102 LYS CB C 13 35.097 0.1 . 1 . . . . . . . . 6232 1 438 . 1 1 103 103 ILE N N 15 126.796 0.1 . 1 . . . . . . . . 6232 1 439 . 1 1 103 103 ILE H H 1 8.117 0.01 . 1 . . . . . . . . 6232 1 440 . 1 1 103 103 ILE CA C 13 61.870 0.1 . 1 . . . . . . . . 6232 1 441 . 1 1 103 103 ILE CB C 13 43.433 0.1 . 1 . . . . . . . . 6232 1 442 . 1 1 104 104 THR N N 15 117.244 0.1 . 1 . . . . . . . . 6232 1 443 . 1 1 104 104 THR H H 1 8.999 0.01 . 1 . . . . . . . . 6232 1 444 . 1 1 104 104 THR CA C 13 61.968 0.1 . 1 . . . . . . . . 6232 1 445 . 1 1 104 104 THR CB C 13 70.92 0.1 . 1 . . . . . . . . 6232 1 446 . 1 1 105 105 ASP N N 15 122.840 0.1 . 1 . . . . . . . . 6232 1 447 . 1 1 105 105 ASP H H 1 8.997 0.01 . 1 . . . . . . . . 6232 1 448 . 1 1 105 105 ASP CA C 13 59.909 0.1 . 1 . . . . . . . . 6232 1 449 . 1 1 105 105 ASP HA H 1 4.584 0.01 . 1 . . . . . . . . 6232 1 450 . 1 1 105 105 ASP CB C 13 43.923 0.1 . 1 . . . . . . . . 6232 1 451 . 1 1 105 105 ASP HB2 H 1 2.871 0.01 . 1 . . . . . . . . 6232 1 452 . 1 1 105 105 ASP HB3 H 1 2.697 0.01 . 1 . . . . . . . . 6232 1 453 . 1 1 106 106 THR N N 15 106.730 0.1 . 1 . . . . . . . . 6232 1 454 . 1 1 106 106 THR H H 1 7.553 0.01 . 1 . . . . . . . . 6232 1 455 . 1 1 106 106 THR CA C 13 61.870 0.1 . 1 . . . . . . . . 6232 1 456 . 1 1 106 106 THR CB C 13 72.41 0.1 . 1 . . . . . . . . 6232 1 457 . 1 1 107 107 VAL N N 15 121.228 0.1 . 1 . . . . . . . . 6232 1 458 . 1 1 107 107 VAL H H 1 8.705 0.01 . 1 . . . . . . . . 6232 1 459 . 1 1 107 107 VAL CA C 13 67.512 0.1 . 1 . . . . . . . . 6232 1 460 . 1 1 107 107 VAL CB C 13 34.190 0.1 . 1 . . . . . . . . 6232 1 461 . 1 1 108 108 GLU N N 15 119.980 0.1 . 1 . . . . . . . . 6232 1 462 . 1 1 108 108 GLU H H 1 8.587 0.01 . 1 . . . . . . . . 6232 1 463 . 1 1 108 108 GLU CA C 13 61.967 0.1 . 1 . . . . . . . . 6232 1 464 . 1 1 108 108 GLU CB C 13 31.426 0.1 . 1 . . . . . . . . 6232 1 465 . 1 1 109 109 GLU N N 15 115.799 0.1 . 1 . . . . . . . . 6232 1 466 . 1 1 109 109 GLU H H 1 7.099 0.01 . 1 . . . . . . . . 6232 1 467 . 1 1 109 109 GLU CA C 13 58.438 0.1 . 1 . . . . . . . . 6232 1 468 . 1 1 109 109 GLU CB C 13 33.724 0.1 . 1 . . . . . . . . 6232 1 469 . 1 1 110 110 ALA N N 15 127.082 0.1 . 1 . . . . . . . . 6232 1 470 . 1 1 110 110 ALA H H 1 7.108 0.01 . 1 . . . . . . . . 6232 1 471 . 1 1 110 110 ALA CA C 13 56.672 0.1 . 1 . . . . . . . . 6232 1 472 . 1 1 110 110 ALA HA H 1 3.819 0.01 . 1 . . . . . . . . 6232 1 473 . 1 1 110 110 ALA HB1 H 1 1.246 0.01 . 1 . . . . . . . . 6232 1 474 . 1 1 110 110 ALA HB2 H 1 1.246 0.01 . 1 . . . . . . . . 6232 1 475 . 1 1 110 110 ALA HB3 H 1 1.246 0.01 . 1 . . . . . . . . 6232 1 476 . 1 1 110 110 ALA CB C 13 23.231 0.1 . 1 . . . . . . . . 6232 1 stop_ save_