################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 11480 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _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 '3D 1H-15N NOESY' . . . 11480 1 2 '3D 1H-13C NOESY' . . . 11480 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 7 7 GLY HA2 H 1 3.968 0.030 . 1 . . . . 7 GLY HA2 . 11480 1 2 . 1 1 7 7 GLY HA3 H 1 3.968 0.030 . 1 . . . . 7 GLY HA3 . 11480 1 3 . 1 1 7 7 GLY C C 13 173.773 0.300 . 1 . . . . 7 GLY C . 11480 1 4 . 1 1 7 7 GLY CA C 13 45.285 0.300 . 1 . . . . 7 GLY CA . 11480 1 5 . 1 1 8 8 ARG H H 1 8.144 0.030 . 1 . . . . 8 ARG H . 11480 1 6 . 1 1 8 8 ARG HA H 1 4.327 0.030 . 1 . . . . 8 ARG HA . 11480 1 7 . 1 1 8 8 ARG HB2 H 1 1.684 0.030 . 1 . . . . 8 ARG HB2 . 11480 1 8 . 1 1 8 8 ARG HB3 H 1 1.684 0.030 . 1 . . . . 8 ARG HB3 . 11480 1 9 . 1 1 8 8 ARG HD2 H 1 3.129 0.030 . 1 . . . . 8 ARG HD2 . 11480 1 10 . 1 1 8 8 ARG HD3 H 1 3.129 0.030 . 1 . . . . 8 ARG HD3 . 11480 1 11 . 1 1 8 8 ARG HG2 H 1 1.461 0.030 . 1 . . . . 8 ARG HG2 . 11480 1 12 . 1 1 8 8 ARG HG3 H 1 1.461 0.030 . 1 . . . . 8 ARG HG3 . 11480 1 13 . 1 1 8 8 ARG C C 13 175.337 0.300 . 1 . . . . 8 ARG C . 11480 1 14 . 1 1 8 8 ARG CA C 13 55.673 0.300 . 1 . . . . 8 ARG CA . 11480 1 15 . 1 1 8 8 ARG CB C 13 31.140 0.300 . 1 . . . . 8 ARG CB . 11480 1 16 . 1 1 8 8 ARG CD C 13 43.215 0.300 . 1 . . . . 8 ARG CD . 11480 1 17 . 1 1 8 8 ARG CG C 13 26.740 0.300 . 1 . . . . 8 ARG CG . 11480 1 18 . 1 1 8 8 ARG N N 15 120.679 0.300 . 1 . . . . 8 ARG N . 11480 1 19 . 1 1 9 9 SER H H 1 8.015 0.030 . 1 . . . . 9 SER H . 11480 1 20 . 1 1 9 9 SER HA H 1 4.552 0.030 . 1 . . . . 9 SER HA . 11480 1 21 . 1 1 9 9 SER HB2 H 1 3.604 0.030 . 1 . . . . 9 SER HB2 . 11480 1 22 . 1 1 9 9 SER HB3 H 1 3.604 0.030 . 1 . . . . 9 SER HB3 . 11480 1 23 . 1 1 9 9 SER C C 13 172.949 0.300 . 1 . . . . 9 SER C . 11480 1 24 . 1 1 9 9 SER CA C 13 57.621 0.300 . 1 . . . . 9 SER CA . 11480 1 25 . 1 1 9 9 SER CB C 13 64.513 0.300 . 1 . . . . 9 SER CB . 11480 1 26 . 1 1 9 9 SER N N 15 116.048 0.300 . 1 . . . . 9 SER N . 11480 1 27 . 1 1 10 10 TYR H H 1 8.791 0.030 . 1 . . . . 10 TYR H . 11480 1 28 . 1 1 10 10 TYR HA H 1 4.713 0.030 . 1 . . . . 10 TYR HA . 11480 1 29 . 1 1 10 10 TYR HB2 H 1 2.765 0.030 . 2 . . . . 10 TYR HB2 . 11480 1 30 . 1 1 10 10 TYR HB3 H 1 3.028 0.030 . 2 . . . . 10 TYR HB3 . 11480 1 31 . 1 1 10 10 TYR HD1 H 1 7.030 0.030 . 1 . . . . 10 TYR HD1 . 11480 1 32 . 1 1 10 10 TYR HD2 H 1 7.030 0.030 . 1 . . . . 10 TYR HD2 . 11480 1 33 . 1 1 10 10 TYR HE1 H 1 6.750 0.030 . 1 . . . . 10 TYR HE1 . 11480 1 34 . 1 1 10 10 TYR HE2 H 1 6.750 0.030 . 1 . . . . 10 TYR HE2 . 11480 1 35 . 1 1 10 10 TYR C C 13 175.200 0.300 . 1 . . . . 10 TYR C . 11480 1 36 . 1 1 10 10 TYR CA C 13 57.065 0.300 . 1 . . . . 10 TYR CA . 11480 1 37 . 1 1 10 10 TYR CB C 13 39.827 0.300 . 1 . . . . 10 TYR CB . 11480 1 38 . 1 1 10 10 TYR CD1 C 13 133.330 0.300 . 1 . . . . 10 TYR CD1 . 11480 1 39 . 1 1 10 10 TYR CD2 C 13 133.330 0.300 . 1 . . . . 10 TYR CD2 . 11480 1 40 . 1 1 10 10 TYR CE1 C 13 117.827 0.300 . 1 . . . . 10 TYR CE1 . 11480 1 41 . 1 1 10 10 TYR CE2 C 13 117.827 0.300 . 1 . . . . 10 TYR CE2 . 11480 1 42 . 1 1 10 10 TYR N N 15 122.610 0.300 . 1 . . . . 10 TYR N . 11480 1 43 . 1 1 11 11 SER H H 1 8.657 0.030 . 1 . . . . 11 SER H . 11480 1 44 . 1 1 11 11 SER HA H 1 5.094 0.030 . 1 . . . . 11 SER HA . 11480 1 45 . 1 1 11 11 SER HB2 H 1 3.659 0.030 . 2 . . . . 11 SER HB2 . 11480 1 46 . 1 1 11 11 SER HB3 H 1 3.597 0.030 . 2 . . . . 11 SER HB3 . 11480 1 47 . 1 1 11 11 SER C C 13 173.887 0.300 . 1 . . . . 11 SER C . 11480 1 48 . 1 1 11 11 SER CA C 13 57.188 0.300 . 1 . . . . 11 SER CA . 11480 1 49 . 1 1 11 11 SER CB C 13 64.838 0.300 . 1 . . . . 11 SER CB . 11480 1 50 . 1 1 11 11 SER N N 15 117.879 0.300 . 1 . . . . 11 SER N . 11480 1 51 . 1 1 12 12 CYS H H 1 9.070 0.030 . 1 . . . . 12 CYS H . 11480 1 52 . 1 1 12 12 CYS HA H 1 4.711 0.030 . 1 . . . . 12 CYS HA . 11480 1 53 . 1 1 12 12 CYS HB2 H 1 3.350 0.030 . 2 . . . . 12 CYS HB2 . 11480 1 54 . 1 1 12 12 CYS HB3 H 1 2.836 0.030 . 2 . . . . 12 CYS HB3 . 11480 1 55 . 1 1 12 12 CYS C C 13 175.605 0.300 . 1 . . . . 12 CYS C . 11480 1 56 . 1 1 12 12 CYS CA C 13 57.206 0.300 . 1 . . . . 12 CYS CA . 11480 1 57 . 1 1 12 12 CYS CB C 13 30.138 0.300 . 1 . . . . 12 CYS CB . 11480 1 58 . 1 1 12 12 CYS N N 15 128.132 0.300 . 1 . . . . 12 CYS N . 11480 1 59 . 1 1 13 13 PRO HA H 1 4.550 0.030 . 1 . . . . 13 PRO HA . 11480 1 60 . 1 1 13 13 PRO HB2 H 1 2.385 0.030 . 2 . . . . 13 PRO HB2 . 11480 1 61 . 1 1 13 13 PRO HB3 H 1 2.057 0.030 . 2 . . . . 13 PRO HB3 . 11480 1 62 . 1 1 13 13 PRO HD2 H 1 4.407 0.030 . 2 . . . . 13 PRO HD2 . 11480 1 63 . 1 1 13 13 PRO HD3 H 1 4.029 0.030 . 2 . . . . 13 PRO HD3 . 11480 1 64 . 1 1 13 13 PRO HG2 H 1 2.224 0.030 . 2 . . . . 13 PRO HG2 . 11480 1 65 . 1 1 13 13 PRO HG3 H 1 1.977 0.030 . 2 . . . . 13 PRO HG3 . 11480 1 66 . 1 1 13 13 PRO C C 13 176.583 0.300 . 1 . . . . 13 PRO C . 11480 1 67 . 1 1 13 13 PRO CA C 13 64.136 0.300 . 1 . . . . 13 PRO CA . 11480 1 68 . 1 1 13 13 PRO CB C 13 32.190 0.300 . 1 . . . . 13 PRO CB . 11480 1 69 . 1 1 13 13 PRO CD C 13 51.566 0.300 . 1 . . . . 13 PRO CD . 11480 1 70 . 1 1 13 13 PRO CG C 13 26.777 0.300 . 1 . . . . 13 PRO CG . 11480 1 71 . 1 1 14 14 VAL H H 1 9.050 0.030 . 1 . . . . 14 VAL H . 11480 1 72 . 1 1 14 14 VAL HA H 1 3.917 0.030 . 1 . . . . 14 VAL HA . 11480 1 73 . 1 1 14 14 VAL HB H 1 0.824 0.030 . 1 . . . . 14 VAL HB . 11480 1 74 . 1 1 14 14 VAL HG11 H 1 0.624 0.030 . 1 . . . . 14 VAL HG1 . 11480 1 75 . 1 1 14 14 VAL HG12 H 1 0.624 0.030 . 1 . . . . 14 VAL HG1 . 11480 1 76 . 1 1 14 14 VAL HG13 H 1 0.624 0.030 . 1 . . . . 14 VAL HG1 . 11480 1 77 . 1 1 14 14 VAL HG21 H 1 0.516 0.030 . 1 . . . . 14 VAL HG2 . 11480 1 78 . 1 1 14 14 VAL HG22 H 1 0.516 0.030 . 1 . . . . 14 VAL HG2 . 11480 1 79 . 1 1 14 14 VAL HG23 H 1 0.516 0.030 . 1 . . . . 14 VAL HG2 . 11480 1 80 . 1 1 14 14 VAL C C 13 176.462 0.300 . 1 . . . . 14 VAL C . 11480 1 81 . 1 1 14 14 VAL CA C 13 64.422 0.300 . 1 . . . . 14 VAL CA . 11480 1 82 . 1 1 14 14 VAL CB C 13 32.949 0.300 . 1 . . . . 14 VAL CB . 11480 1 83 . 1 1 14 14 VAL CG1 C 13 21.387 0.300 . 2 . . . . 14 VAL CG1 . 11480 1 84 . 1 1 14 14 VAL CG2 C 13 21.345 0.300 . 2 . . . . 14 VAL CG2 . 11480 1 85 . 1 1 14 14 VAL N N 15 121.834 0.300 . 1 . . . . 14 VAL N . 11480 1 86 . 1 1 15 15 CYS H H 1 8.393 0.030 . 1 . . . . 15 CYS H . 11480 1 87 . 1 1 15 15 CYS HA H 1 5.185 0.030 . 1 . . . . 15 CYS HA . 11480 1 88 . 1 1 15 15 CYS HB2 H 1 3.504 0.030 . 2 . . . . 15 CYS HB2 . 11480 1 89 . 1 1 15 15 CYS HB3 H 1 2.919 0.030 . 2 . . . . 15 CYS HB3 . 11480 1 90 . 1 1 15 15 CYS C C 13 175.067 0.300 . 1 . . . . 15 CYS C . 11480 1 91 . 1 1 15 15 CYS CA C 13 58.336 0.300 . 1 . . . . 15 CYS CA . 11480 1 92 . 1 1 15 15 CYS CB C 13 32.018 0.300 . 1 . . . . 15 CYS CB . 11480 1 93 . 1 1 15 15 CYS N N 15 118.913 0.300 . 1 . . . . 15 CYS N . 11480 1 94 . 1 1 16 16 GLU H H 1 8.160 0.030 . 1 . . . . 16 GLU H . 11480 1 95 . 1 1 16 16 GLU HA H 1 4.182 0.030 . 1 . . . . 16 GLU HA . 11480 1 96 . 1 1 16 16 GLU HB2 H 1 2.245 0.030 . 1 . . . . 16 GLU HB2 . 11480 1 97 . 1 1 16 16 GLU HB3 H 1 2.245 0.030 . 1 . . . . 16 GLU HB3 . 11480 1 98 . 1 1 16 16 GLU HG2 H 1 2.143 0.030 . 1 . . . . 16 GLU HG2 . 11480 1 99 . 1 1 16 16 GLU HG3 H 1 2.143 0.030 . 1 . . . . 16 GLU HG3 . 11480 1 100 . 1 1 16 16 GLU C C 13 175.757 0.300 . 1 . . . . 16 GLU C . 11480 1 101 . 1 1 16 16 GLU CA C 13 58.475 0.300 . 1 . . . . 16 GLU CA . 11480 1 102 . 1 1 16 16 GLU CB C 13 28.009 0.300 . 1 . . . . 16 GLU CB . 11480 1 103 . 1 1 16 16 GLU CG C 13 36.788 0.300 . 1 . . . . 16 GLU CG . 11480 1 104 . 1 1 16 16 GLU N N 15 116.514 0.300 . 1 . . . . 16 GLU N . 11480 1 105 . 1 1 17 17 LYS H H 1 8.020 0.030 . 1 . . . . 17 LYS H . 11480 1 106 . 1 1 17 17 LYS HA H 1 4.059 0.030 . 1 . . . . 17 LYS HA . 11480 1 107 . 1 1 17 17 LYS HB2 H 1 1.509 0.030 . 2 . . . . 17 LYS HB2 . 11480 1 108 . 1 1 17 17 LYS HB3 H 1 1.273 0.030 . 2 . . . . 17 LYS HB3 . 11480 1 109 . 1 1 17 17 LYS HD2 H 1 1.568 0.030 . 2 . . . . 17 LYS HD2 . 11480 1 110 . 1 1 17 17 LYS HD3 H 1 1.511 0.030 . 2 . . . . 17 LYS HD3 . 11480 1 111 . 1 1 17 17 LYS HE2 H 1 3.003 0.030 . 2 . . . . 17 LYS HE2 . 11480 1 112 . 1 1 17 17 LYS HE3 H 1 2.916 0.030 . 2 . . . . 17 LYS HE3 . 11480 1 113 . 1 1 17 17 LYS HG2 H 1 1.469 0.030 . 2 . . . . 17 LYS HG2 . 11480 1 114 . 1 1 17 17 LYS HG3 H 1 1.167 0.030 . 2 . . . . 17 LYS HG3 . 11480 1 115 . 1 1 17 17 LYS C C 13 174.902 0.300 . 1 . . . . 17 LYS C . 11480 1 116 . 1 1 17 17 LYS CA C 13 58.050 0.300 . 1 . . . . 17 LYS CA . 11480 1 117 . 1 1 17 17 LYS CB C 13 33.852 0.300 . 1 . . . . 17 LYS CB . 11480 1 118 . 1 1 17 17 LYS CD C 13 29.280 0.300 . 1 . . . . 17 LYS CD . 11480 1 119 . 1 1 17 17 LYS CE C 13 42.308 0.300 . 1 . . . . 17 LYS CE . 11480 1 120 . 1 1 17 17 LYS CG C 13 26.162 0.300 . 1 . . . . 17 LYS CG . 11480 1 121 . 1 1 17 17 LYS N N 15 123.151 0.300 . 1 . . . . 17 LYS N . 11480 1 122 . 1 1 18 18 SER H H 1 7.903 0.030 . 1 . . . . 18 SER H . 11480 1 123 . 1 1 18 18 SER HA H 1 5.169 0.030 . 1 . . . . 18 SER HA . 11480 1 124 . 1 1 18 18 SER HB2 H 1 3.600 0.030 . 1 . . . . 18 SER HB2 . 11480 1 125 . 1 1 18 18 SER HB3 H 1 3.600 0.030 . 1 . . . . 18 SER HB3 . 11480 1 126 . 1 1 18 18 SER C C 13 173.274 0.300 . 1 . . . . 18 SER C . 11480 1 127 . 1 1 18 18 SER CA C 13 57.216 0.300 . 1 . . . . 18 SER CA . 11480 1 128 . 1 1 18 18 SER CB C 13 65.465 0.300 . 1 . . . . 18 SER CB . 11480 1 129 . 1 1 18 18 SER N N 15 115.696 0.300 . 1 . . . . 18 SER N . 11480 1 130 . 1 1 19 19 PHE H H 1 8.802 0.030 . 1 . . . . 19 PHE H . 11480 1 131 . 1 1 19 19 PHE HA H 1 4.849 0.030 . 1 . . . . 19 PHE HA . 11480 1 132 . 1 1 19 19 PHE HB2 H 1 3.239 0.030 . 2 . . . . 19 PHE HB2 . 11480 1 133 . 1 1 19 19 PHE HB3 H 1 2.658 0.030 . 2 . . . . 19 PHE HB3 . 11480 1 134 . 1 1 19 19 PHE HD1 H 1 7.168 0.030 . 1 . . . . 19 PHE HD1 . 11480 1 135 . 1 1 19 19 PHE HD2 H 1 7.168 0.030 . 1 . . . . 19 PHE HD2 . 11480 1 136 . 1 1 19 19 PHE HE1 H 1 6.767 0.030 . 1 . . . . 19 PHE HE1 . 11480 1 137 . 1 1 19 19 PHE HE2 H 1 6.767 0.030 . 1 . . . . 19 PHE HE2 . 11480 1 138 . 1 1 19 19 PHE HZ H 1 6.345 0.030 . 1 . . . . 19 PHE HZ . 11480 1 139 . 1 1 19 19 PHE C C 13 176.042 0.300 . 1 . . . . 19 PHE C . 11480 1 140 . 1 1 19 19 PHE CA C 13 56.988 0.300 . 1 . . . . 19 PHE CA . 11480 1 141 . 1 1 19 19 PHE CB C 13 44.851 0.300 . 1 . . . . 19 PHE CB . 11480 1 142 . 1 1 19 19 PHE CD1 C 13 132.375 0.300 . 1 . . . . 19 PHE CD1 . 11480 1 143 . 1 1 19 19 PHE CD2 C 13 132.375 0.300 . 1 . . . . 19 PHE CD2 . 11480 1 144 . 1 1 19 19 PHE CE1 C 13 130.562 0.300 . 1 . . . . 19 PHE CE1 . 11480 1 145 . 1 1 19 19 PHE CE2 C 13 130.562 0.300 . 1 . . . . 19 PHE CE2 . 11480 1 146 . 1 1 19 19 PHE CZ C 13 128.591 0.300 . 1 . . . . 19 PHE CZ . 11480 1 147 . 1 1 19 19 PHE N N 15 119.011 0.300 . 1 . . . . 19 PHE N . 11480 1 148 . 1 1 20 20 SER HA H 1 4.754 0.030 . 1 . . . . 20 SER HA . 11480 1 149 . 1 1 20 20 SER HB2 H 1 4.166 0.030 . 2 . . . . 20 SER HB2 . 11480 1 150 . 1 1 20 20 SER HB3 H 1 3.965 0.030 . 2 . . . . 20 SER HB3 . 11480 1 151 . 1 1 20 20 SER C C 13 173.929 0.300 . 1 . . . . 20 SER C . 11480 1 152 . 1 1 20 20 SER CA C 13 59.321 0.300 . 1 . . . . 20 SER CA . 11480 1 153 . 1 1 20 20 SER CB C 13 64.316 0.300 . 1 . . . . 20 SER CB . 11480 1 154 . 1 1 21 21 GLU H H 1 6.966 0.030 . 1 . . . . 21 GLU H . 11480 1 155 . 1 1 21 21 GLU HA H 1 4.742 0.030 . 1 . . . . 21 GLU HA . 11480 1 156 . 1 1 21 21 GLU HB2 H 1 2.267 0.030 . 2 . . . . 21 GLU HB2 . 11480 1 157 . 1 1 21 21 GLU HB3 H 1 1.732 0.030 . 2 . . . . 21 GLU HB3 . 11480 1 158 . 1 1 21 21 GLU HG2 H 1 2.357 0.030 . 2 . . . . 21 GLU HG2 . 11480 1 159 . 1 1 21 21 GLU HG3 H 1 2.268 0.030 . 2 . . . . 21 GLU HG3 . 11480 1 160 . 1 1 21 21 GLU C C 13 175.983 0.300 . 1 . . . . 21 GLU C . 11480 1 161 . 1 1 21 21 GLU CA C 13 54.739 0.300 . 1 . . . . 21 GLU CA . 11480 1 162 . 1 1 21 21 GLU CB C 13 34.512 0.300 . 1 . . . . 21 GLU CB . 11480 1 163 . 1 1 21 21 GLU CG C 13 36.081 0.300 . 1 . . . . 21 GLU CG . 11480 1 164 . 1 1 21 21 GLU N N 15 115.448 0.300 . 1 . . . . 21 GLU N . 11480 1 165 . 1 1 22 22 ASP H H 1 8.687 0.030 . 1 . . . . 22 ASP H . 11480 1 166 . 1 1 22 22 ASP HA H 1 3.696 0.030 . 1 . . . . 22 ASP HA . 11480 1 167 . 1 1 22 22 ASP HB2 H 1 2.392 0.030 . 2 . . . . 22 ASP HB2 . 11480 1 168 . 1 1 22 22 ASP HB3 H 1 2.333 0.030 . 2 . . . . 22 ASP HB3 . 11480 1 169 . 1 1 22 22 ASP C C 13 178.305 0.300 . 1 . . . . 22 ASP C . 11480 1 170 . 1 1 22 22 ASP CA C 13 56.620 0.300 . 1 . . . . 22 ASP CA . 11480 1 171 . 1 1 22 22 ASP CB C 13 41.226 0.300 . 1 . . . . 22 ASP CB . 11480 1 172 . 1 1 22 22 ASP N N 15 126.148 0.300 . 1 . . . . 22 ASP N . 11480 1 173 . 1 1 23 23 ARG H H 1 8.776 0.030 . 1 . . . . 23 ARG H . 11480 1 174 . 1 1 23 23 ARG HA H 1 3.976 0.030 . 1 . . . . 23 ARG HA . 11480 1 175 . 1 1 23 23 ARG HB2 H 1 1.890 0.030 . 2 . . . . 23 ARG HB2 . 11480 1 176 . 1 1 23 23 ARG HB3 H 1 1.766 0.030 . 2 . . . . 23 ARG HB3 . 11480 1 177 . 1 1 23 23 ARG HD2 H 1 3.190 0.030 . 2 . . . . 23 ARG HD2 . 11480 1 178 . 1 1 23 23 ARG HD3 H 1 3.135 0.030 . 2 . . . . 23 ARG HD3 . 11480 1 179 . 1 1 23 23 ARG HG2 H 1 1.513 0.030 . 2 . . . . 23 ARG HG2 . 11480 1 180 . 1 1 23 23 ARG HG3 H 1 1.482 0.030 . 2 . . . . 23 ARG HG3 . 11480 1 181 . 1 1 23 23 ARG C C 13 178.267 0.300 . 1 . . . . 23 ARG C . 11480 1 182 . 1 1 23 23 ARG CA C 13 58.810 0.300 . 1 . . . . 23 ARG CA . 11480 1 183 . 1 1 23 23 ARG CB C 13 29.321 0.300 . 1 . . . . 23 ARG CB . 11480 1 184 . 1 1 23 23 ARG CD C 13 43.246 0.300 . 1 . . . . 23 ARG CD . 11480 1 185 . 1 1 23 23 ARG CG C 13 27.221 0.300 . 1 . . . . 23 ARG CG . 11480 1 186 . 1 1 23 23 ARG N N 15 116.394 0.300 . 1 . . . . 23 ARG N . 11480 1 187 . 1 1 24 24 LEU H H 1 6.825 0.030 . 1 . . . . 24 LEU H . 11480 1 188 . 1 1 24 24 LEU HA H 1 4.148 0.030 . 1 . . . . 24 LEU HA . 11480 1 189 . 1 1 24 24 LEU HB2 H 1 1.877 0.030 . 2 . . . . 24 LEU HB2 . 11480 1 190 . 1 1 24 24 LEU HB3 H 1 1.450 0.030 . 2 . . . . 24 LEU HB3 . 11480 1 191 . 1 1 24 24 LEU HD11 H 1 1.148 0.030 . 1 . . . . 24 LEU HD1 . 11480 1 192 . 1 1 24 24 LEU HD12 H 1 1.148 0.030 . 1 . . . . 24 LEU HD1 . 11480 1 193 . 1 1 24 24 LEU HD13 H 1 1.148 0.030 . 1 . . . . 24 LEU HD1 . 11480 1 194 . 1 1 24 24 LEU HD21 H 1 0.889 0.030 . 1 . . . . 24 LEU HD2 . 11480 1 195 . 1 1 24 24 LEU HD22 H 1 0.889 0.030 . 1 . . . . 24 LEU HD2 . 11480 1 196 . 1 1 24 24 LEU HD23 H 1 0.889 0.030 . 1 . . . . 24 LEU HD2 . 11480 1 197 . 1 1 24 24 LEU HG H 1 1.571 0.030 . 1 . . . . 24 LEU HG . 11480 1 198 . 1 1 24 24 LEU C C 13 179.274 0.300 . 1 . . . . 24 LEU C . 11480 1 199 . 1 1 24 24 LEU CA C 13 56.290 0.300 . 1 . . . . 24 LEU CA . 11480 1 200 . 1 1 24 24 LEU CB C 13 41.979 0.300 . 1 . . . . 24 LEU CB . 11480 1 201 . 1 1 24 24 LEU CD1 C 13 26.012 0.300 . 2 . . . . 24 LEU CD1 . 11480 1 202 . 1 1 24 24 LEU CD2 C 13 21.875 0.300 . 2 . . . . 24 LEU CD2 . 11480 1 203 . 1 1 24 24 LEU CG C 13 27.455 0.300 . 1 . . . . 24 LEU CG . 11480 1 204 . 1 1 24 24 LEU N N 15 116.910 0.300 . 1 . . . . 24 LEU N . 11480 1 205 . 1 1 25 25 ILE H H 1 7.325 0.030 . 1 . . . . 25 ILE H . 11480 1 206 . 1 1 25 25 ILE HA H 1 3.473 0.030 . 1 . . . . 25 ILE HA . 11480 1 207 . 1 1 25 25 ILE HB H 1 1.766 0.030 . 1 . . . . 25 ILE HB . 11480 1 208 . 1 1 25 25 ILE HD11 H 1 0.976 0.030 . 1 . . . . 25 ILE HD1 . 11480 1 209 . 1 1 25 25 ILE HD12 H 1 0.976 0.030 . 1 . . . . 25 ILE HD1 . 11480 1 210 . 1 1 25 25 ILE HD13 H 1 0.976 0.030 . 1 . . . . 25 ILE HD1 . 11480 1 211 . 1 1 25 25 ILE HG12 H 1 1.233 0.030 . 2 . . . . 25 ILE HG12 . 11480 1 212 . 1 1 25 25 ILE HG13 H 1 1.363 0.030 . 2 . . . . 25 ILE HG13 . 11480 1 213 . 1 1 25 25 ILE HG21 H 1 1.066 0.030 . 1 . . . . 25 ILE HG2 . 11480 1 214 . 1 1 25 25 ILE HG22 H 1 1.066 0.030 . 1 . . . . 25 ILE HG2 . 11480 1 215 . 1 1 25 25 ILE HG23 H 1 1.066 0.030 . 1 . . . . 25 ILE HG2 . 11480 1 216 . 1 1 25 25 ILE C C 13 176.680 0.300 . 1 . . . . 25 ILE C . 11480 1 217 . 1 1 25 25 ILE CA C 13 62.626 0.300 . 1 . . . . 25 ILE CA . 11480 1 218 . 1 1 25 25 ILE CB C 13 36.830 0.300 . 1 . . . . 25 ILE CB . 11480 1 219 . 1 1 25 25 ILE CD1 C 13 13.818 0.300 . 1 . . . . 25 ILE CD1 . 11480 1 220 . 1 1 25 25 ILE CG1 C 13 29.692 0.300 . 1 . . . . 25 ILE CG1 . 11480 1 221 . 1 1 25 25 ILE CG2 C 13 18.294 0.300 . 1 . . . . 25 ILE CG2 . 11480 1 222 . 1 1 25 25 ILE N N 15 119.570 0.300 . 1 . . . . 25 ILE N . 11480 1 223 . 1 1 26 26 LYS H H 1 7.828 0.030 . 1 . . . . 26 LYS H . 11480 1 224 . 1 1 26 26 LYS HA H 1 3.894 0.030 . 1 . . . . 26 LYS HA . 11480 1 225 . 1 1 26 26 LYS HB2 H 1 1.763 0.030 . 1 . . . . 26 LYS HB2 . 11480 1 226 . 1 1 26 26 LYS HB3 H 1 1.763 0.030 . 1 . . . . 26 LYS HB3 . 11480 1 227 . 1 1 26 26 LYS HD2 H 1 1.584 0.030 . 2 . . . . 26 LYS HD2 . 11480 1 228 . 1 1 26 26 LYS HD3 H 1 1.539 0.030 . 2 . . . . 26 LYS HD3 . 11480 1 229 . 1 1 26 26 LYS HE2 H 1 2.946 0.030 . 1 . . . . 26 LYS HE2 . 11480 1 230 . 1 1 26 26 LYS HE3 H 1 2.946 0.030 . 1 . . . . 26 LYS HE3 . 11480 1 231 . 1 1 26 26 LYS HG2 H 1 1.502 0.030 . 2 . . . . 26 LYS HG2 . 11480 1 232 . 1 1 26 26 LYS HG3 H 1 1.381 0.030 . 2 . . . . 26 LYS HG3 . 11480 1 233 . 1 1 26 26 LYS C C 13 179.695 0.300 . 1 . . . . 26 LYS C . 11480 1 234 . 1 1 26 26 LYS CA C 13 60.157 0.300 . 1 . . . . 26 LYS CA . 11480 1 235 . 1 1 26 26 LYS CB C 13 32.040 0.300 . 1 . . . . 26 LYS CB . 11480 1 236 . 1 1 26 26 LYS CD C 13 28.753 0.300 . 1 . . . . 26 LYS CD . 11480 1 237 . 1 1 26 26 LYS CE C 13 42.013 0.300 . 1 . . . . 26 LYS CE . 11480 1 238 . 1 1 26 26 LYS CG C 13 25.902 0.300 . 1 . . . . 26 LYS CG . 11480 1 239 . 1 1 26 26 LYS N N 15 122.044 0.300 . 1 . . . . 26 LYS N . 11480 1 240 . 1 1 27 27 SER H H 1 7.577 0.030 . 1 . . . . 27 SER H . 11480 1 241 . 1 1 27 27 SER HA H 1 4.182 0.030 . 1 . . . . 27 SER HA . 11480 1 242 . 1 1 27 27 SER HB2 H 1 3.893 0.030 . 2 . . . . 27 SER HB2 . 11480 1 243 . 1 1 27 27 SER HB3 H 1 3.841 0.030 . 2 . . . . 27 SER HB3 . 11480 1 244 . 1 1 27 27 SER C C 13 176.422 0.300 . 1 . . . . 27 SER C . 11480 1 245 . 1 1 27 27 SER CA C 13 61.122 0.300 . 1 . . . . 27 SER CA . 11480 1 246 . 1 1 27 27 SER CB C 13 62.670 0.300 . 1 . . . . 27 SER CB . 11480 1 247 . 1 1 27 27 SER N N 15 113.029 0.300 . 1 . . . . 27 SER N . 11480 1 248 . 1 1 28 28 HIS H H 1 7.687 0.030 . 1 . . . . 28 HIS H . 11480 1 249 . 1 1 28 28 HIS HA H 1 4.154 0.030 . 1 . . . . 28 HIS HA . 11480 1 250 . 1 1 28 28 HIS HB2 H 1 3.226 0.030 . 2 . . . . 28 HIS HB2 . 11480 1 251 . 1 1 28 28 HIS HB3 H 1 2.860 0.030 . 2 . . . . 28 HIS HB3 . 11480 1 252 . 1 1 28 28 HIS HD2 H 1 7.280 0.030 . 1 . . . . 28 HIS HD2 . 11480 1 253 . 1 1 28 28 HIS HE1 H 1 8.012 0.030 . 1 . . . . 28 HIS HE1 . 11480 1 254 . 1 1 28 28 HIS C C 13 177.270 0.300 . 1 . . . . 28 HIS C . 11480 1 255 . 1 1 28 28 HIS CA C 13 59.726 0.300 . 1 . . . . 28 HIS CA . 11480 1 256 . 1 1 28 28 HIS CB C 13 28.202 0.300 . 1 . . . . 28 HIS CB . 11480 1 257 . 1 1 28 28 HIS CD2 C 13 127.918 0.300 . 1 . . . . 28 HIS CD2 . 11480 1 258 . 1 1 28 28 HIS CE1 C 13 139.283 0.300 . 1 . . . . 28 HIS CE1 . 11480 1 259 . 1 1 28 28 HIS N N 15 121.268 0.300 . 1 . . . . 28 HIS N . 11480 1 260 . 1 1 29 29 ILE H H 1 8.587 0.030 . 1 . . . . 29 ILE H . 11480 1 261 . 1 1 29 29 ILE HA H 1 3.440 0.030 . 1 . . . . 29 ILE HA . 11480 1 262 . 1 1 29 29 ILE HB H 1 1.870 0.030 . 1 . . . . 29 ILE HB . 11480 1 263 . 1 1 29 29 ILE HD11 H 1 1.039 0.030 . 1 . . . . 29 ILE HD1 . 11480 1 264 . 1 1 29 29 ILE HD12 H 1 1.039 0.030 . 1 . . . . 29 ILE HD1 . 11480 1 265 . 1 1 29 29 ILE HD13 H 1 1.039 0.030 . 1 . . . . 29 ILE HD1 . 11480 1 266 . 1 1 29 29 ILE HG12 H 1 2.240 0.030 . 2 . . . . 29 ILE HG12 . 11480 1 267 . 1 1 29 29 ILE HG13 H 1 1.405 0.030 . 2 . . . . 29 ILE HG13 . 11480 1 268 . 1 1 29 29 ILE HG21 H 1 1.009 0.030 . 1 . . . . 29 ILE HG2 . 11480 1 269 . 1 1 29 29 ILE HG22 H 1 1.009 0.030 . 1 . . . . 29 ILE HG2 . 11480 1 270 . 1 1 29 29 ILE HG23 H 1 1.009 0.030 . 1 . . . . 29 ILE HG2 . 11480 1 271 . 1 1 29 29 ILE C C 13 177.354 0.300 . 1 . . . . 29 ILE C . 11480 1 272 . 1 1 29 29 ILE CA C 13 66.473 0.300 . 1 . . . . 29 ILE CA . 11480 1 273 . 1 1 29 29 ILE CB C 13 38.549 0.300 . 1 . . . . 29 ILE CB . 11480 1 274 . 1 1 29 29 ILE CD1 C 13 14.492 0.300 . 1 . . . . 29 ILE CD1 . 11480 1 275 . 1 1 29 29 ILE CG1 C 13 30.681 0.300 . 1 . . . . 29 ILE CG1 . 11480 1 276 . 1 1 29 29 ILE CG2 C 13 17.716 0.300 . 1 . . . . 29 ILE CG2 . 11480 1 277 . 1 1 29 29 ILE N N 15 120.671 0.300 . 1 . . . . 29 ILE N . 11480 1 278 . 1 1 30 30 LYS H H 1 7.484 0.030 . 1 . . . . 30 LYS H . 11480 1 279 . 1 1 30 30 LYS HA H 1 3.998 0.030 . 1 . . . . 30 LYS HA . 11480 1 280 . 1 1 30 30 LYS HB2 H 1 1.882 0.030 . 1 . . . . 30 LYS HB2 . 11480 1 281 . 1 1 30 30 LYS HB3 H 1 1.882 0.030 . 1 . . . . 30 LYS HB3 . 11480 1 282 . 1 1 30 30 LYS HD2 H 1 1.676 0.030 . 1 . . . . 30 LYS HD2 . 11480 1 283 . 1 1 30 30 LYS HD3 H 1 1.676 0.030 . 1 . . . . 30 LYS HD3 . 11480 1 284 . 1 1 30 30 LYS HE2 H 1 2.950 0.030 . 1 . . . . 30 LYS HE2 . 11480 1 285 . 1 1 30 30 LYS HE3 H 1 2.950 0.030 . 1 . . . . 30 LYS HE3 . 11480 1 286 . 1 1 30 30 LYS HG2 H 1 1.487 0.030 . 2 . . . . 30 LYS HG2 . 11480 1 287 . 1 1 30 30 LYS HG3 H 1 1.437 0.030 . 2 . . . . 30 LYS HG3 . 11480 1 288 . 1 1 30 30 LYS C C 13 178.202 0.300 . 1 . . . . 30 LYS C . 11480 1 289 . 1 1 30 30 LYS CA C 13 58.845 0.300 . 1 . . . . 30 LYS CA . 11480 1 290 . 1 1 30 30 LYS CB C 13 32.493 0.300 . 1 . . . . 30 LYS CB . 11480 1 291 . 1 1 30 30 LYS CD C 13 28.968 0.300 . 1 . . . . 30 LYS CD . 11480 1 292 . 1 1 30 30 LYS CE C 13 42.080 0.300 . 1 . . . . 30 LYS CE . 11480 1 293 . 1 1 30 30 LYS CG C 13 24.778 0.300 . 1 . . . . 30 LYS CG . 11480 1 294 . 1 1 30 30 LYS N N 15 117.511 0.300 . 1 . . . . 30 LYS N . 11480 1 295 . 1 1 31 31 THR H H 1 7.738 0.030 . 1 . . . . 31 THR H . 11480 1 296 . 1 1 31 31 THR HA H 1 4.031 0.030 . 1 . . . . 31 THR HA . 11480 1 297 . 1 1 31 31 THR HB H 1 4.038 0.030 . 1 . . . . 31 THR HB . 11480 1 298 . 1 1 31 31 THR HG21 H 1 1.169 0.030 . 1 . . . . 31 THR HG2 . 11480 1 299 . 1 1 31 31 THR HG22 H 1 1.169 0.030 . 1 . . . . 31 THR HG2 . 11480 1 300 . 1 1 31 31 THR HG23 H 1 1.169 0.030 . 1 . . . . 31 THR HG2 . 11480 1 301 . 1 1 31 31 THR C C 13 175.808 0.300 . 1 . . . . 31 THR C . 11480 1 302 . 1 1 31 31 THR CA C 13 64.454 0.300 . 1 . . . . 31 THR CA . 11480 1 303 . 1 1 31 31 THR CB C 13 69.748 0.300 . 1 . . . . 31 THR CB . 11480 1 304 . 1 1 31 31 THR CG2 C 13 21.473 0.300 . 1 . . . . 31 THR CG2 . 11480 1 305 . 1 1 31 31 THR N N 15 107.788 0.300 . 1 . . . . 31 THR N . 11480 1 306 . 1 1 32 32 ASN H H 1 8.043 0.030 . 1 . . . . 32 ASN H . 11480 1 307 . 1 1 32 32 ASN HA H 1 4.465 0.030 . 1 . . . . 32 ASN HA . 11480 1 308 . 1 1 32 32 ASN HB2 H 1 1.597 0.030 . 2 . . . . 32 ASN HB2 . 11480 1 309 . 1 1 32 32 ASN HB3 H 1 1.380 0.030 . 2 . . . . 32 ASN HB3 . 11480 1 310 . 1 1 32 32 ASN HD21 H 1 7.262 0.030 . 2 . . . . 32 ASN HD21 . 11480 1 311 . 1 1 32 32 ASN HD22 H 1 7.054 0.030 . 2 . . . . 32 ASN HD22 . 11480 1 312 . 1 1 32 32 ASN C C 13 174.316 0.300 . 1 . . . . 32 ASN C . 11480 1 313 . 1 1 32 32 ASN CA C 13 54.730 0.300 . 1 . . . . 32 ASN CA . 11480 1 314 . 1 1 32 32 ASN CB C 13 38.590 0.300 . 1 . . . . 32 ASN CB . 11480 1 315 . 1 1 32 32 ASN N N 15 116.765 0.300 . 1 . . . . 32 ASN N . 11480 1 316 . 1 1 32 32 ASN ND2 N 15 113.964 0.300 . 1 . . . . 32 ASN ND2 . 11480 1 317 . 1 1 33 33 HIS H H 1 8.063 0.030 . 1 . . . . 33 HIS H . 11480 1 318 . 1 1 33 33 HIS HA H 1 5.552 0.030 . 1 . . . . 33 HIS HA . 11480 1 319 . 1 1 33 33 HIS HB2 H 1 3.368 0.030 . 2 . . . . 33 HIS HB2 . 11480 1 320 . 1 1 33 33 HIS HB3 H 1 3.051 0.030 . 2 . . . . 33 HIS HB3 . 11480 1 321 . 1 1 33 33 HIS HD2 H 1 6.621 0.030 . 1 . . . . 33 HIS HD2 . 11480 1 322 . 1 1 33 33 HIS HE1 H 1 8.082 0.030 . 1 . . . . 33 HIS HE1 . 11480 1 323 . 1 1 33 33 HIS C C 13 172.182 0.300 . 1 . . . . 33 HIS C . 11480 1 324 . 1 1 33 33 HIS CA C 13 51.566 0.300 . 1 . . . . 33 HIS CA . 11480 1 325 . 1 1 33 33 HIS CB C 13 28.621 0.300 . 1 . . . . 33 HIS CB . 11480 1 326 . 1 1 33 33 HIS CD2 C 13 128.056 0.300 . 1 . . . . 33 HIS CD2 . 11480 1 327 . 1 1 33 33 HIS CE1 C 13 139.365 0.300 . 1 . . . . 33 HIS CE1 . 11480 1 328 . 1 1 33 33 HIS N N 15 116.383 0.300 . 1 . . . . 33 HIS N . 11480 1 329 . 1 1 34 34 PRO HA H 1 4.380 0.030 . 1 . . . . 34 PRO HA . 11480 1 330 . 1 1 34 34 PRO HB2 H 1 2.354 0.030 . 2 . . . . 34 PRO HB2 . 11480 1 331 . 1 1 34 34 PRO HB3 H 1 2.008 0.030 . 2 . . . . 34 PRO HB3 . 11480 1 332 . 1 1 34 34 PRO HD2 H 1 3.648 0.030 . 2 . . . . 34 PRO HD2 . 11480 1 333 . 1 1 34 34 PRO HD3 H 1 3.139 0.030 . 2 . . . . 34 PRO HD3 . 11480 1 334 . 1 1 34 34 PRO HG2 H 1 1.966 0.030 . 1 . . . . 34 PRO HG2 . 11480 1 335 . 1 1 34 34 PRO HG3 H 1 1.966 0.030 . 1 . . . . 34 PRO HG3 . 11480 1 336 . 1 1 34 34 PRO C C 13 177.291 0.300 . 1 . . . . 34 PRO C . 11480 1 337 . 1 1 34 34 PRO CA C 13 64.478 0.300 . 1 . . . . 34 PRO CA . 11480 1 338 . 1 1 34 34 PRO CB C 13 31.655 0.300 . 1 . . . . 34 PRO CB . 11480 1 339 . 1 1 34 34 PRO CD C 13 50.418 0.300 . 1 . . . . 34 PRO CD . 11480 1 340 . 1 1 34 34 PRO CG C 13 27.246 0.300 . 1 . . . . 34 PRO CG . 11480 1 341 . 1 1 35 35 GLU H H 1 9.769 0.030 . 1 . . . . 35 GLU H . 11480 1 342 . 1 1 35 35 GLU HA H 1 4.294 0.030 . 1 . . . . 35 GLU HA . 11480 1 343 . 1 1 35 35 GLU HB2 H 1 2.096 0.030 . 2 . . . . 35 GLU HB2 . 11480 1 344 . 1 1 35 35 GLU HB3 H 1 2.022 0.030 . 2 . . . . 35 GLU HB3 . 11480 1 345 . 1 1 35 35 GLU HG2 H 1 2.420 0.030 . 2 . . . . 35 GLU HG2 . 11480 1 346 . 1 1 35 35 GLU HG3 H 1 2.185 0.030 . 2 . . . . 35 GLU HG3 . 11480 1 347 . 1 1 35 35 GLU C C 13 176.923 0.300 . 1 . . . . 35 GLU C . 11480 1 348 . 1 1 35 35 GLU CA C 13 57.577 0.300 . 1 . . . . 35 GLU CA . 11480 1 349 . 1 1 35 35 GLU CB C 13 28.394 0.300 . 1 . . . . 35 GLU CB . 11480 1 350 . 1 1 35 35 GLU CG C 13 35.676 0.300 . 1 . . . . 35 GLU CG . 11480 1 351 . 1 1 35 35 GLU N N 15 120.124 0.300 . 1 . . . . 35 GLU N . 11480 1 352 . 1 1 36 36 VAL H H 1 7.869 0.030 . 1 . . . . 36 VAL H . 11480 1 353 . 1 1 36 36 VAL HA H 1 4.225 0.030 . 1 . . . . 36 VAL HA . 11480 1 354 . 1 1 36 36 VAL HB H 1 2.238 0.030 . 1 . . . . 36 VAL HB . 11480 1 355 . 1 1 36 36 VAL HG11 H 1 0.930 0.030 . 1 . . . . 36 VAL HG1 . 11480 1 356 . 1 1 36 36 VAL HG12 H 1 0.930 0.030 . 1 . . . . 36 VAL HG1 . 11480 1 357 . 1 1 36 36 VAL HG13 H 1 0.930 0.030 . 1 . . . . 36 VAL HG1 . 11480 1 358 . 1 1 36 36 VAL HG21 H 1 0.916 0.030 . 1 . . . . 36 VAL HG2 . 11480 1 359 . 1 1 36 36 VAL HG22 H 1 0.916 0.030 . 1 . . . . 36 VAL HG2 . 11480 1 360 . 1 1 36 36 VAL HG23 H 1 0.916 0.030 . 1 . . . . 36 VAL HG2 . 11480 1 361 . 1 1 36 36 VAL C C 13 175.149 0.300 . 1 . . . . 36 VAL C . 11480 1 362 . 1 1 36 36 VAL CA C 13 62.282 0.300 . 1 . . . . 36 VAL CA . 11480 1 363 . 1 1 36 36 VAL CB C 13 31.875 0.300 . 1 . . . . 36 VAL CB . 11480 1 364 . 1 1 36 36 VAL CG1 C 13 21.443 0.300 . 2 . . . . 36 VAL CG1 . 11480 1 365 . 1 1 36 36 VAL CG2 C 13 21.107 0.300 . 2 . . . . 36 VAL CG2 . 11480 1 366 . 1 1 36 36 VAL N N 15 120.921 0.300 . 1 . . . . 36 VAL N . 11480 1 367 . 1 1 37 37 SER H H 1 7.836 0.030 . 1 . . . . 37 SER H . 11480 1 368 . 1 1 37 37 SER HA H 1 4.247 0.030 . 1 . . . . 37 SER HA . 11480 1 369 . 1 1 37 37 SER HB2 H 1 3.833 0.030 . 1 . . . . 37 SER HB2 . 11480 1 370 . 1 1 37 37 SER HB3 H 1 3.833 0.030 . 1 . . . . 37 SER HB3 . 11480 1 371 . 1 1 37 37 SER C C 13 178.712 0.300 . 1 . . . . 37 SER C . 11480 1 372 . 1 1 37 37 SER CA C 13 60.062 0.300 . 1 . . . . 37 SER CA . 11480 1 373 . 1 1 37 37 SER CB C 13 65.036 0.300 . 1 . . . . 37 SER CB . 11480 1 374 . 1 1 37 37 SER N N 15 125.324 0.300 . 1 . . . . 37 SER N . 11480 1 stop_ save_