################################### # 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_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_1 _Assigned_chem_shift_list.Entry_ID 10198 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $condition_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $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 13C-separated NOESY' 1 $sample_1 isotropic 10198 1 2 '3D 15N-separated NOESY' 1 $sample_1 isotropic 10198 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 1 1 GLY CA C 13 43.707 0.300 . 1 . . . . 1 GLY CA . 10198 1 2 . 1 1 1 1 GLY HA3 H 1 3.886 0.030 . 1 . . . . 1 GLY HA3 . 10198 1 3 . 1 1 1 1 GLY HA2 H 1 3.886 0.030 . 1 . . . . 1 GLY HA2 . 10198 1 4 . 1 1 9 9 GLY CA C 13 45.254 0.300 . 1 . . . . 9 GLY CA . 10198 1 5 . 1 1 9 9 GLY HA3 H 1 3.953 0.030 . 1 . . . . 9 GLY HA3 . 10198 1 6 . 1 1 9 9 GLY C C 13 174.042 0.300 . 1 . . . . 9 GLY C . 10198 1 7 . 1 1 9 9 GLY HA2 H 1 3.953 0.030 . 1 . . . . 9 GLY HA2 . 10198 1 8 . 1 1 10 10 GLU N N 15 120.168 0.300 . 1 . . . . 10 GLU N . 10198 1 9 . 1 1 10 10 GLU H H 1 8.189 0.030 . 1 . . . . 10 GLU H . 10198 1 10 . 1 1 10 10 GLU CA C 13 56.864 0.300 . 1 . . . . 10 GLU CA . 10198 1 11 . 1 1 10 10 GLU HA H 1 4.190 0.030 . 1 . . . . 10 GLU HA . 10198 1 12 . 1 1 10 10 GLU CB C 13 30.408 0.300 . 1 . . . . 10 GLU CB . 10198 1 13 . 1 1 10 10 GLU HB3 H 1 1.995 0.030 . 2 . . . . 10 GLU HB3 . 10198 1 14 . 1 1 10 10 GLU CG C 13 36.277 0.300 . 1 . . . . 10 GLU CG . 10198 1 15 . 1 1 10 10 GLU HG3 H 1 2.268 0.030 . 2 . . . . 10 GLU HG3 . 10198 1 16 . 1 1 10 10 GLU C C 13 176.310 0.300 . 1 . . . . 10 GLU C . 10198 1 17 . 1 1 10 10 GLU HB2 H 1 1.909 0.030 . 2 . . . . 10 GLU HB2 . 10198 1 18 . 1 1 10 10 GLU HG2 H 1 2.212 0.030 . 2 . . . . 10 GLU HG2 . 10198 1 19 . 1 1 11 11 LYS N N 15 121.384 0.300 . 1 . . . . 11 LYS N . 10198 1 20 . 1 1 11 11 LYS H H 1 8.303 0.030 . 1 . . . . 11 LYS H . 10198 1 21 . 1 1 11 11 LYS CA C 13 53.617 0.300 . 1 . . . . 11 LYS CA . 10198 1 22 . 1 1 11 11 LYS HA H 1 4.442 0.030 . 1 . . . . 11 LYS HA . 10198 1 23 . 1 1 11 11 LYS CB C 13 32.516 0.300 . 1 . . . . 11 LYS CB . 10198 1 24 . 1 1 11 11 LYS HB3 H 1 1.409 0.030 . 2 . . . . 11 LYS HB3 . 10198 1 25 . 1 1 11 11 LYS CG C 13 25.017 0.300 . 1 . . . . 11 LYS CG . 10198 1 26 . 1 1 11 11 LYS HG3 H 1 1.302 0.030 . 2 . . . . 11 LYS HG3 . 10198 1 27 . 1 1 11 11 LYS CD C 13 29.399 0.300 . 1 . . . . 11 LYS CD . 10198 1 28 . 1 1 11 11 LYS HD3 H 1 1.511 0.030 . 2 . . . . 11 LYS HD3 . 10198 1 29 . 1 1 11 11 LYS CE C 13 42.358 0.300 . 1 . . . . 11 LYS CE . 10198 1 30 . 1 1 11 11 LYS HE3 H 1 2.906 0.030 . 1 . . . . 11 LYS HE3 . 10198 1 31 . 1 1 11 11 LYS C C 13 174.008 0.300 . 1 . . . . 11 LYS C . 10198 1 32 . 1 1 11 11 LYS HB2 H 1 1.560 0.030 . 2 . . . . 11 LYS HB2 . 10198 1 33 . 1 1 11 11 LYS HD2 H 1 1.425 0.030 . 2 . . . . 11 LYS HD2 . 10198 1 34 . 1 1 11 11 LYS HE2 H 1 2.906 0.030 . 1 . . . . 11 LYS HE2 . 10198 1 35 . 1 1 11 11 LYS HG2 H 1 1.127 0.030 . 2 . . . . 11 LYS HG2 . 10198 1 36 . 1 1 12 12 PRO CA C 13 63.810 0.300 . 1 . . . . 12 PRO CA . 10198 1 37 . 1 1 12 12 PRO HA H 1 4.209 0.030 . 1 . . . . 12 PRO HA . 10198 1 38 . 1 1 12 12 PRO CB C 13 32.136 0.300 . 1 . . . . 12 PRO CB . 10198 1 39 . 1 1 12 12 PRO HB3 H 1 2.020 0.030 . 2 . . . . 12 PRO HB3 . 10198 1 40 . 1 1 12 12 PRO CG C 13 26.818 0.300 . 1 . . . . 12 PRO CG . 10198 1 41 . 1 1 12 12 PRO HG3 H 1 1.870 0.030 . 2 . . . . 12 PRO HG3 . 10198 1 42 . 1 1 12 12 PRO CD C 13 50.495 0.300 . 1 . . . . 12 PRO CD . 10198 1 43 . 1 1 12 12 PRO HD3 H 1 3.691 0.030 . 2 . . . . 12 PRO HD3 . 10198 1 44 . 1 1 12 12 PRO C C 13 176.465 0.300 . 1 . . . . 12 PRO C . 10198 1 45 . 1 1 12 12 PRO HB2 H 1 1.263 0.030 . 2 . . . . 12 PRO HB2 . 10198 1 46 . 1 1 12 12 PRO HD2 H 1 3.606 0.030 . 2 . . . . 12 PRO HD2 . 10198 1 47 . 1 1 12 12 PRO HG2 H 1 1.726 0.030 . 2 . . . . 12 PRO HG2 . 10198 1 48 . 1 1 13 13 TYR N N 15 118.430 0.300 . 1 . . . . 13 TYR N . 10198 1 49 . 1 1 13 13 TYR H H 1 7.828 0.030 . 1 . . . . 13 TYR H . 10198 1 50 . 1 1 13 13 TYR CA C 13 57.575 0.300 . 1 . . . . 13 TYR CA . 10198 1 51 . 1 1 13 13 TYR HA H 1 4.633 0.030 . 1 . . . . 13 TYR HA . 10198 1 52 . 1 1 13 13 TYR CB C 13 38.137 0.300 . 1 . . . . 13 TYR CB . 10198 1 53 . 1 1 13 13 TYR HB3 H 1 2.938 0.030 . 2 . . . . 13 TYR HB3 . 10198 1 54 . 1 1 13 13 TYR CD1 C 13 133.240 0.300 . 1 . . . . 13 TYR CD1 . 10198 1 55 . 1 1 13 13 TYR HD1 H 1 7.004 0.030 . 1 . . . . 13 TYR HD1 . 10198 1 56 . 1 1 13 13 TYR CD2 C 13 133.240 0.300 . 1 . . . . 13 TYR CD2 . 10198 1 57 . 1 1 13 13 TYR HD2 H 1 7.004 0.030 . 1 . . . . 13 TYR HD2 . 10198 1 58 . 1 1 13 13 TYR CE1 C 13 118.398 0.300 . 1 . . . . 13 TYR CE1 . 10198 1 59 . 1 1 13 13 TYR HE1 H 1 6.910 0.030 . 1 . . . . 13 TYR HE1 . 10198 1 60 . 1 1 13 13 TYR CE2 C 13 118.398 0.300 . 1 . . . . 13 TYR CE2 . 10198 1 61 . 1 1 13 13 TYR HE2 H 1 6.910 0.030 . 1 . . . . 13 TYR HE2 . 10198 1 62 . 1 1 13 13 TYR C C 13 174.444 0.300 . 1 . . . . 13 TYR C . 10198 1 63 . 1 1 13 13 TYR HB2 H 1 2.785 0.030 . 2 . . . . 13 TYR HB2 . 10198 1 64 . 1 1 14 14 LYS N N 15 124.304 0.300 . 1 . . . . 14 LYS N . 10198 1 65 . 1 1 14 14 LYS H H 1 8.454 0.030 . 1 . . . . 14 LYS H . 10198 1 66 . 1 1 14 14 LYS CA C 13 54.800 0.300 . 1 . . . . 14 LYS CA . 10198 1 67 . 1 1 14 14 LYS HA H 1 5.039 0.030 . 1 . . . . 14 LYS HA . 10198 1 68 . 1 1 14 14 LYS CB C 13 35.164 0.300 . 1 . . . . 14 LYS CB . 10198 1 69 . 1 1 14 14 LYS HB3 H 1 1.626 0.030 . 2 . . . . 14 LYS HB3 . 10198 1 70 . 1 1 14 14 LYS CG C 13 24.718 0.300 . 1 . . . . 14 LYS CG . 10198 1 71 . 1 1 14 14 LYS HG3 H 1 1.248 0.030 . 2 . . . . 14 LYS HG3 . 10198 1 72 . 1 1 14 14 LYS CD C 13 29.218 0.300 . 1 . . . . 14 LYS CD . 10198 1 73 . 1 1 14 14 LYS HD3 H 1 1.581 0.030 . 1 . . . . 14 LYS HD3 . 10198 1 74 . 1 1 14 14 LYS CE C 13 42.135 0.300 . 1 . . . . 14 LYS CE . 10198 1 75 . 1 1 14 14 LYS HE3 H 1 2.953 0.030 . 1 . . . . 14 LYS HE3 . 10198 1 76 . 1 1 14 14 LYS C C 13 175.455 0.300 . 1 . . . . 14 LYS C . 10198 1 77 . 1 1 14 14 LYS HB2 H 1 1.565 0.030 . 2 . . . . 14 LYS HB2 . 10198 1 78 . 1 1 14 14 LYS HD2 H 1 1.581 0.030 . 1 . . . . 14 LYS HD2 . 10198 1 79 . 1 1 14 14 LYS HE2 H 1 2.953 0.030 . 1 . . . . 14 LYS HE2 . 10198 1 80 . 1 1 14 14 LYS HG2 H 1 1.162 0.030 . 2 . . . . 14 LYS HG2 . 10198 1 81 . 1 1 15 15 CYS N N 15 126.669 0.300 . 1 . . . . 15 CYS N . 10198 1 82 . 1 1 15 15 CYS H H 1 9.138 0.030 . 1 . . . . 15 CYS H . 10198 1 83 . 1 1 15 15 CYS CA C 13 59.488 0.300 . 1 . . . . 15 CYS CA . 10198 1 84 . 1 1 15 15 CYS HA H 1 4.611 0.030 . 1 . . . . 15 CYS HA . 10198 1 85 . 1 1 15 15 CYS CB C 13 29.705 0.300 . 1 . . . . 15 CYS CB . 10198 1 86 . 1 1 15 15 CYS HB3 H 1 3.385 0.030 . 2 . . . . 15 CYS HB3 . 10198 1 87 . 1 1 15 15 CYS C C 13 177.944 0.300 . 1 . . . . 15 CYS C . 10198 1 88 . 1 1 15 15 CYS HB2 H 1 2.918 0.030 . 2 . . . . 15 CYS HB2 . 10198 1 89 . 1 1 16 16 VAL N N 15 130.449 0.300 . 1 . . . . 16 VAL N . 10198 1 90 . 1 1 16 16 VAL H H 1 9.093 0.030 . 1 . . . . 16 VAL H . 10198 1 91 . 1 1 16 16 VAL CA C 13 64.724 0.300 . 1 . . . . 16 VAL CA . 10198 1 92 . 1 1 16 16 VAL HA H 1 3.962 0.030 . 1 . . . . 16 VAL HA . 10198 1 93 . 1 1 16 16 VAL CB C 13 31.834 0.300 . 1 . . . . 16 VAL CB . 10198 1 94 . 1 1 16 16 VAL HB H 1 2.264 0.030 . 1 . . . . 16 VAL HB . 10198 1 95 . 1 1 16 16 VAL CG1 C 13 20.783 0.300 . 2 . . . . 16 VAL CG1 . 10198 1 96 . 1 1 16 16 VAL HG11 H 1 1.097 0.030 . 1 . . . . 16 VAL HG1 . 10198 1 97 . 1 1 16 16 VAL HG12 H 1 1.097 0.030 . 1 . . . . 16 VAL HG1 . 10198 1 98 . 1 1 16 16 VAL HG13 H 1 1.097 0.030 . 1 . . . . 16 VAL HG1 . 10198 1 99 . 1 1 16 16 VAL CG2 C 13 21.131 0.300 . 2 . . . . 16 VAL CG2 . 10198 1 100 . 1 1 16 16 VAL HG21 H 1 1.060 0.030 . 1 . . . . 16 VAL HG2 . 10198 1 101 . 1 1 16 16 VAL HG22 H 1 1.060 0.030 . 1 . . . . 16 VAL HG2 . 10198 1 102 . 1 1 16 16 VAL HG23 H 1 1.060 0.030 . 1 . . . . 16 VAL HG2 . 10198 1 103 . 1 1 16 16 VAL C C 13 176.285 0.300 . 1 . . . . 16 VAL C . 10198 1 104 . 1 1 17 17 GLU N N 15 121.787 0.300 . 1 . . . . 17 GLU N . 10198 1 105 . 1 1 17 17 GLU H H 1 8.559 0.030 . 1 . . . . 17 GLU H . 10198 1 106 . 1 1 17 17 GLU CA C 13 58.471 0.300 . 1 . . . . 17 GLU CA . 10198 1 107 . 1 1 17 17 GLU HA H 1 4.214 0.030 . 1 . . . . 17 GLU HA . 10198 1 108 . 1 1 17 17 GLU CB C 13 29.377 0.300 . 1 . . . . 17 GLU CB . 10198 1 109 . 1 1 17 17 GLU HB3 H 1 1.352 0.030 . 1 . . . . 17 GLU HB3 . 10198 1 110 . 1 1 17 17 GLU CG C 13 35.592 0.300 . 1 . . . . 17 GLU CG . 10198 1 111 . 1 1 17 17 GLU HG3 H 1 1.887 0.030 . 2 . . . . 17 GLU HG3 . 10198 1 112 . 1 1 17 17 GLU C C 13 177.492 0.300 . 1 . . . . 17 GLU C . 10198 1 113 . 1 1 17 17 GLU HB2 H 1 1.352 0.030 . 1 . . . . 17 GLU HB2 . 10198 1 114 . 1 1 17 17 GLU HG2 H 1 1.803 0.030 . 2 . . . . 17 GLU HG2 . 10198 1 115 . 1 1 18 18 CYS N N 15 114.939 0.300 . 1 . . . . 18 CYS N . 10198 1 116 . 1 1 18 18 CYS H H 1 8.082 0.030 . 1 . . . . 18 CYS H . 10198 1 117 . 1 1 18 18 CYS CA C 13 58.471 0.300 . 1 . . . . 18 CYS CA . 10198 1 118 . 1 1 18 18 CYS HA H 1 5.192 0.030 . 1 . . . . 18 CYS HA . 10198 1 119 . 1 1 18 18 CYS CB C 13 32.509 0.300 . 1 . . . . 18 CYS CB . 10198 1 120 . 1 1 18 18 CYS HB3 H 1 3.442 0.030 . 2 . . . . 18 CYS HB3 . 10198 1 121 . 1 1 18 18 CYS C C 13 176.460 0.300 . 1 . . . . 18 CYS C . 10198 1 122 . 1 1 18 18 CYS HB2 H 1 2.857 0.030 . 2 . . . . 18 CYS HB2 . 10198 1 123 . 1 1 19 19 GLY N N 15 113.538 0.300 . 1 . . . . 19 GLY N . 10198 1 124 . 1 1 19 19 GLY H H 1 8.196 0.030 . 1 . . . . 19 GLY H . 10198 1 125 . 1 1 19 19 GLY CA C 13 46.242 0.300 . 1 . . . . 19 GLY CA . 10198 1 126 . 1 1 19 19 GLY HA3 H 1 4.259 0.030 . 2 . . . . 19 GLY HA3 . 10198 1 127 . 1 1 19 19 GLY C C 13 173.676 0.300 . 1 . . . . 19 GLY C . 10198 1 128 . 1 1 19 19 GLY HA2 H 1 3.798 0.030 . 2 . . . . 19 GLY HA2 . 10198 1 129 . 1 1 20 20 LYS N N 15 123.263 0.300 . 1 . . . . 20 LYS N . 10198 1 130 . 1 1 20 20 LYS H H 1 7.926 0.030 . 1 . . . . 20 LYS H . 10198 1 131 . 1 1 20 20 LYS CA C 13 58.523 0.300 . 1 . . . . 20 LYS CA . 10198 1 132 . 1 1 20 20 LYS HA H 1 3.981 0.030 . 1 . . . . 20 LYS HA . 10198 1 133 . 1 1 20 20 LYS CB C 13 33.810 0.300 . 1 . . . . 20 LYS CB . 10198 1 134 . 1 1 20 20 LYS HB3 H 1 1.330 0.030 . 2 . . . . 20 LYS HB3 . 10198 1 135 . 1 1 20 20 LYS CG C 13 26.277 0.300 . 1 . . . . 20 LYS CG . 10198 1 136 . 1 1 20 20 LYS HG3 H 1 1.462 0.030 . 2 . . . . 20 LYS HG3 . 10198 1 137 . 1 1 20 20 LYS CD C 13 29.258 0.300 . 1 . . . . 20 LYS CD . 10198 1 138 . 1 1 20 20 LYS HD3 H 1 1.522 0.030 . 1 . . . . 20 LYS HD3 . 10198 1 139 . 1 1 20 20 LYS CE C 13 42.364 0.300 . 1 . . . . 20 LYS CE . 10198 1 140 . 1 1 20 20 LYS HE3 H 1 2.955 0.030 . 2 . . . . 20 LYS HE3 . 10198 1 141 . 1 1 20 20 LYS C C 13 175.052 0.300 . 1 . . . . 20 LYS C . 10198 1 142 . 1 1 20 20 LYS HB2 H 1 1.481 0.030 . 2 . . . . 20 LYS HB2 . 10198 1 143 . 1 1 20 20 LYS HD2 H 1 1.522 0.030 . 1 . . . . 20 LYS HD2 . 10198 1 144 . 1 1 20 20 LYS HE2 H 1 2.906 0.030 . 2 . . . . 20 LYS HE2 . 10198 1 145 . 1 1 20 20 LYS HG2 H 1 1.187 0.030 . 2 . . . . 20 LYS HG2 . 10198 1 146 . 1 1 21 21 GLY N N 15 108.411 0.300 . 1 . . . . 21 GLY N . 10198 1 147 . 1 1 21 21 GLY H H 1 7.976 0.030 . 1 . . . . 21 GLY H . 10198 1 148 . 1 1 21 21 GLY CA C 13 44.194 0.300 . 1 . . . . 21 GLY CA . 10198 1 149 . 1 1 21 21 GLY HA3 H 1 4.999 0.030 . 2 . . . . 21 GLY HA3 . 10198 1 150 . 1 1 21 21 GLY C C 13 172.339 0.300 . 1 . . . . 21 GLY C . 10198 1 151 . 1 1 21 21 GLY HA2 H 1 3.313 0.030 . 2 . . . . 21 GLY HA2 . 10198 1 152 . 1 1 22 22 TYR N N 15 118.701 0.300 . 1 . . . . 22 TYR N . 10198 1 153 . 1 1 22 22 TYR H H 1 8.712 0.030 . 1 . . . . 22 TYR H . 10198 1 154 . 1 1 22 22 TYR CA C 13 58.193 0.300 . 1 . . . . 22 TYR CA . 10198 1 155 . 1 1 22 22 TYR HA H 1 4.627 0.030 . 1 . . . . 22 TYR HA . 10198 1 156 . 1 1 22 22 TYR CB C 13 43.318 0.300 . 1 . . . . 22 TYR CB . 10198 1 157 . 1 1 22 22 TYR HB3 H 1 2.594 0.030 . 2 . . . . 22 TYR HB3 . 10198 1 158 . 1 1 22 22 TYR CD1 C 13 133.252 0.300 . 1 . . . . 22 TYR CD1 . 10198 1 159 . 1 1 22 22 TYR HD1 H 1 7.105 0.030 . 1 . . . . 22 TYR HD1 . 10198 1 160 . 1 1 22 22 TYR CD2 C 13 133.252 0.300 . 1 . . . . 22 TYR CD2 . 10198 1 161 . 1 1 22 22 TYR HD2 H 1 7.105 0.030 . 1 . . . . 22 TYR HD2 . 10198 1 162 . 1 1 22 22 TYR CE1 C 13 117.628 0.300 . 1 . . . . 22 TYR CE1 . 10198 1 163 . 1 1 22 22 TYR HE1 H 1 6.328 0.030 . 1 . . . . 22 TYR HE1 . 10198 1 164 . 1 1 22 22 TYR CE2 C 13 117.628 0.300 . 1 . . . . 22 TYR CE2 . 10198 1 165 . 1 1 22 22 TYR HE2 H 1 6.328 0.030 . 1 . . . . 22 TYR HE2 . 10198 1 166 . 1 1 22 22 TYR C C 13 175.114 0.300 . 1 . . . . 22 TYR C . 10198 1 167 . 1 1 22 22 TYR HB2 H 1 3.423 0.030 . 2 . . . . 22 TYR HB2 . 10198 1 168 . 1 1 23 23 LYS N N 15 120.476 0.300 . 1 . . . . 23 LYS N . 10198 1 169 . 1 1 23 23 LYS H H 1 9.060 0.030 . 1 . . . . 23 LYS H . 10198 1 170 . 1 1 23 23 LYS CA C 13 58.595 0.300 . 1 . . . . 23 LYS CA . 10198 1 171 . 1 1 23 23 LYS HA H 1 4.450 0.030 . 1 . . . . 23 LYS HA . 10198 1 172 . 1 1 23 23 LYS CB C 13 33.830 0.300 . 1 . . . . 23 LYS CB . 10198 1 173 . 1 1 23 23 LYS HB3 H 1 2.054 0.030 . 2 . . . . 23 LYS HB3 . 10198 1 174 . 1 1 23 23 LYS CG C 13 25.814 0.300 . 1 . . . . 23 LYS CG . 10198 1 175 . 1 1 23 23 LYS HG3 H 1 1.624 0.030 . 1 . . . . 23 LYS HG3 . 10198 1 176 . 1 1 23 23 LYS CD C 13 29.431 0.300 . 1 . . . . 23 LYS CD . 10198 1 177 . 1 1 23 23 LYS HD3 H 1 1.804 0.030 . 1 . . . . 23 LYS HD3 . 10198 1 178 . 1 1 23 23 LYS CE C 13 42.180 0.300 . 1 . . . . 23 LYS CE . 10198 1 179 . 1 1 23 23 LYS HE3 H 1 3.049 0.030 . 1 . . . . 23 LYS HE3 . 10198 1 180 . 1 1 23 23 LYS C C 13 176.227 0.300 . 1 . . . . 23 LYS C . 10198 1 181 . 1 1 23 23 LYS HB2 H 1 2.002 0.030 . 2 . . . . 23 LYS HB2 . 10198 1 182 . 1 1 23 23 LYS HD2 H 1 1.804 0.030 . 1 . . . . 23 LYS HD2 . 10198 1 183 . 1 1 23 23 LYS HE2 H 1 3.049 0.030 . 1 . . . . 23 LYS HE2 . 10198 1 184 . 1 1 23 23 LYS HG2 H 1 1.624 0.030 . 1 . . . . 23 LYS HG2 . 10198 1 185 . 1 1 24 24 ARG N N 15 114.342 0.300 . 1 . . . . 24 ARG N . 10198 1 186 . 1 1 24 24 ARG H H 1 7.929 0.030 . 1 . . . . 24 ARG H . 10198 1 187 . 1 1 24 24 ARG CA C 13 53.954 0.300 . 1 . . . . 24 ARG CA . 10198 1 188 . 1 1 24 24 ARG HA H 1 4.786 0.030 . 1 . . . . 24 ARG HA . 10198 1 189 . 1 1 24 24 ARG CB C 13 32.890 0.300 . 1 . . . . 24 ARG CB . 10198 1 190 . 1 1 24 24 ARG HB3 H 1 1.932 0.030 . 2 . . . . 24 ARG HB3 . 10198 1 191 . 1 1 24 24 ARG CG C 13 26.669 0.300 . 1 . . . . 24 ARG CG . 10198 1 192 . 1 1 24 24 ARG HG3 H 1 1.655 0.030 . 2 . . . . 24 ARG HG3 . 10198 1 193 . 1 1 24 24 ARG CD C 13 43.594 0.300 . 1 . . . . 24 ARG CD . 10198 1 194 . 1 1 24 24 ARG HD3 H 1 3.228 0.030 . 2 . . . . 24 ARG HD3 . 10198 1 195 . 1 1 24 24 ARG C C 13 176.136 0.300 . 1 . . . . 24 ARG C . 10198 1 196 . 1 1 24 24 ARG HB2 H 1 1.839 0.030 . 2 . . . . 24 ARG HB2 . 10198 1 197 . 1 1 24 24 ARG HD2 H 1 3.314 0.030 . 2 . . . . 24 ARG HD2 . 10198 1 198 . 1 1 24 24 ARG HG2 H 1 1.722 0.030 . 2 . . . . 24 ARG HG2 . 10198 1 199 . 1 1 25 25 ARG N N 15 127.212 0.300 . 1 . . . . 25 ARG N . 10198 1 200 . 1 1 25 25 ARG H H 1 8.379 0.030 . 1 . . . . 25 ARG H . 10198 1 201 . 1 1 25 25 ARG CA C 13 58.968 0.300 . 1 . . . . 25 ARG CA . 10198 1 202 . 1 1 25 25 ARG HA H 1 3.047 0.030 . 1 . . . . 25 ARG HA . 10198 1 203 . 1 1 25 25 ARG CB C 13 28.874 0.300 . 1 . . . . 25 ARG CB . 10198 1 204 . 1 1 25 25 ARG HB3 H 1 1.088 0.030 . 2 . . . . 25 ARG HB3 . 10198 1 205 . 1 1 25 25 ARG CG C 13 26.721 0.300 . 1 . . . . 25 ARG CG . 10198 1 206 . 1 1 25 25 ARG HG3 H 1 1.473 0.030 . 2 . . . . 25 ARG HG3 . 10198 1 207 . 1 1 25 25 ARG CD C 13 42.761 0.300 . 1 . . . . 25 ARG CD . 10198 1 208 . 1 1 25 25 ARG HD3 H 1 3.082 0.030 . 2 . . . . 25 ARG HD3 . 10198 1 209 . 1 1 25 25 ARG C C 13 178.039 0.300 . 1 . . . . 25 ARG C . 10198 1 210 . 1 1 25 25 ARG HB2 H 1 1.465 0.030 . 2 . . . . 25 ARG HB2 . 10198 1 211 . 1 1 25 25 ARG HD2 H 1 3.008 0.030 . 2 . . . . 25 ARG HD2 . 10198 1 212 . 1 1 25 25 ARG HG2 H 1 1.258 0.030 . 2 . . . . 25 ARG HG2 . 10198 1 213 . 1 1 26 26 LEU N N 15 117.424 0.300 . 1 . . . . 26 LEU N . 10198 1 214 . 1 1 26 26 LEU H H 1 8.321 0.030 . 1 . . . . 26 LEU H . 10198 1 215 . 1 1 26 26 LEU CA C 13 57.922 0.300 . 1 . . . . 26 LEU CA . 10198 1 216 . 1 1 26 26 LEU HA H 1 4.008 0.030 . 1 . . . . 26 LEU HA . 10198 1 217 . 1 1 26 26 LEU CB C 13 42.295 0.300 . 1 . . . . 26 LEU CB . 10198 1 218 . 1 1 26 26 LEU HB3 H 1 1.375 0.030 . 2 . . . . 26 LEU HB3 . 10198 1 219 . 1 1 26 26 LEU CG C 13 26.870 0.300 . 1 . . . . 26 LEU CG . 10198 1 220 . 1 1 26 26 LEU HG H 1 1.518 0.030 . 1 . . . . 26 LEU HG . 10198 1 221 . 1 1 26 26 LEU CD1 C 13 24.667 0.300 . 1 . . . . 26 LEU CD1 . 10198 1 222 . 1 1 26 26 LEU HD11 H 1 0.846 0.030 . 1 . . . . 26 LEU HD1 . 10198 1 223 . 1 1 26 26 LEU HD12 H 1 0.846 0.030 . 1 . . . . 26 LEU HD1 . 10198 1 224 . 1 1 26 26 LEU HD13 H 1 0.846 0.030 . 1 . . . . 26 LEU HD1 . 10198 1 225 . 1 1 26 26 LEU CD2 C 13 24.667 0.300 . 1 . . . . 26 LEU CD2 . 10198 1 226 . 1 1 26 26 LEU HD21 H 1 0.846 0.030 . 1 . . . . 26 LEU HD2 . 10198 1 227 . 1 1 26 26 LEU HD22 H 1 0.846 0.030 . 1 . . . . 26 LEU HD2 . 10198 1 228 . 1 1 26 26 LEU HD23 H 1 0.846 0.030 . 1 . . . . 26 LEU HD2 . 10198 1 229 . 1 1 26 26 LEU C C 13 178.591 0.300 . 1 . . . . 26 LEU C . 10198 1 230 . 1 1 26 26 LEU HB2 H 1 1.524 0.030 . 2 . . . . 26 LEU HB2 . 10198 1 231 . 1 1 27 27 ASP N N 15 116.153 0.300 . 1 . . . . 27 ASP N . 10198 1 232 . 1 1 27 27 ASP H H 1 6.677 0.030 . 1 . . . . 27 ASP H . 10198 1 233 . 1 1 27 27 ASP CA C 13 56.775 0.300 . 1 . . . . 27 ASP CA . 10198 1 234 . 1 1 27 27 ASP HA H 1 4.419 0.030 . 1 . . . . 27 ASP HA . 10198 1 235 . 1 1 27 27 ASP CB C 13 40.901 0.300 . 1 . . . . 27 ASP CB . 10198 1 236 . 1 1 27 27 ASP HB3 H 1 2.818 0.030 . 2 . . . . 27 ASP HB3 . 10198 1 237 . 1 1 27 27 ASP C C 13 178.564 0.300 . 1 . . . . 27 ASP C . 10198 1 238 . 1 1 27 27 ASP HB2 H 1 2.739 0.030 . 2 . . . . 27 ASP HB2 . 10198 1 239 . 1 1 28 28 LEU N N 15 122.965 0.300 . 1 . . . . 28 LEU N . 10198 1 240 . 1 1 28 28 LEU H H 1 7.010 0.030 . 1 . . . . 28 LEU H . 10198 1 241 . 1 1 28 28 LEU CA C 13 57.793 0.300 . 1 . . . . 28 LEU CA . 10198 1 242 . 1 1 28 28 LEU HA H 1 3.620 0.030 . 1 . . . . 28 LEU HA . 10198 1 243 . 1 1 28 28 LEU CB C 13 40.261 0.300 . 1 . . . . 28 LEU CB . 10198 1 244 . 1 1 28 28 LEU HB3 H 1 1.324 0.030 . 2 . . . . 28 LEU HB3 . 10198 1 245 . 1 1 28 28 LEU CG C 13 27.467 0.300 . 1 . . . . 28 LEU CG . 10198 1 246 . 1 1 28 28 LEU HG H 1 1.685 0.030 . 1 . . . . 28 LEU HG . 10198 1 247 . 1 1 28 28 LEU CD1 C 13 26.609 0.300 . 2 . . . . 28 LEU CD1 . 10198 1 248 . 1 1 28 28 LEU HD11 H 1 1.001 0.030 . 1 . . . . 28 LEU HD1 . 10198 1 249 . 1 1 28 28 LEU HD12 H 1 1.001 0.030 . 1 . . . . 28 LEU HD1 . 10198 1 250 . 1 1 28 28 LEU HD13 H 1 1.001 0.030 . 1 . . . . 28 LEU HD1 . 10198 1 251 . 1 1 28 28 LEU CD2 C 13 22.769 0.300 . 2 . . . . 28 LEU CD2 . 10198 1 252 . 1 1 28 28 LEU HD21 H 1 1.114 0.030 . 1 . . . . 28 LEU HD2 . 10198 1 253 . 1 1 28 28 LEU HD22 H 1 1.114 0.030 . 1 . . . . 28 LEU HD2 . 10198 1 254 . 1 1 28 28 LEU HD23 H 1 1.114 0.030 . 1 . . . . 28 LEU HD2 . 10198 1 255 . 1 1 28 28 LEU C C 13 177.807 0.300 . 1 . . . . 28 LEU C . 10198 1 256 . 1 1 28 28 LEU HB2 H 1 2.020 0.030 . 2 . . . . 28 LEU HB2 . 10198 1 257 . 1 1 29 29 ASP N N 15 120.296 0.300 . 1 . . . . 29 ASP N . 10198 1 258 . 1 1 29 29 ASP H H 1 8.371 0.030 . 1 . . . . 29 ASP H . 10198 1 259 . 1 1 29 29 ASP CA C 13 57.703 0.300 . 1 . . . . 29 ASP CA . 10198 1 260 . 1 1 29 29 ASP HA H 1 4.299 0.030 . 1 . . . . 29 ASP HA . 10198 1 261 . 1 1 29 29 ASP CB C 13 39.968 0.300 . 1 . . . . 29 ASP CB . 10198 1 262 . 1 1 29 29 ASP HB3 H 1 2.685 0.030 . 2 . . . . 29 ASP HB3 . 10198 1 263 . 1 1 29 29 ASP C C 13 179.252 0.300 . 1 . . . . 29 ASP C . 10198 1 264 . 1 1 29 29 ASP HB2 H 1 2.570 0.030 . 2 . . . . 29 ASP HB2 . 10198 1 265 . 1 1 30 30 PHE N N 15 118.906 0.300 . 1 . . . . 30 PHE N . 10198 1 266 . 1 1 30 30 PHE H H 1 7.830 0.030 . 1 . . . . 30 PHE H . 10198 1 267 . 1 1 30 30 PHE CA C 13 60.984 0.300 . 1 . . . . 30 PHE CA . 10198 1 268 . 1 1 30 30 PHE HA H 1 4.238 0.030 . 1 . . . . 30 PHE HA . 10198 1 269 . 1 1 30 30 PHE CB C 13 38.859 0.300 . 1 . . . . 30 PHE CB . 10198 1 270 . 1 1 30 30 PHE HB3 H 1 3.207 0.030 . 2 . . . . 30 PHE HB3 . 10198 1 271 . 1 1 30 30 PHE CD1 C 13 131.486 0.300 . 1 . . . . 30 PHE CD1 . 10198 1 272 . 1 1 30 30 PHE HD1 H 1 7.312 0.030 . 1 . . . . 30 PHE HD1 . 10198 1 273 . 1 1 30 30 PHE CD2 C 13 131.486 0.300 . 1 . . . . 30 PHE CD2 . 10198 1 274 . 1 1 30 30 PHE HD2 H 1 7.312 0.030 . 1 . . . . 30 PHE HD2 . 10198 1 275 . 1 1 30 30 PHE CE1 C 13 131.489 0.300 . 1 . . . . 30 PHE CE1 . 10198 1 276 . 1 1 30 30 PHE HE1 H 1 7.325 0.030 . 1 . . . . 30 PHE HE1 . 10198 1 277 . 1 1 30 30 PHE CE2 C 13 131.489 0.300 . 1 . . . . 30 PHE CE2 . 10198 1 278 . 1 1 30 30 PHE HE2 H 1 7.325 0.030 . 1 . . . . 30 PHE HE2 . 10198 1 279 . 1 1 30 30 PHE CZ C 13 129.880 0.300 . 1 . . . . 30 PHE CZ . 10198 1 280 . 1 1 30 30 PHE HZ H 1 7.287 0.030 . 1 . . . . 30 PHE HZ . 10198 1 281 . 1 1 30 30 PHE C C 13 178.386 0.300 . 1 . . . . 30 PHE C . 10198 1 282 . 1 1 30 30 PHE HB2 H 1 3.108 0.030 . 2 . . . . 30 PHE HB2 . 10198 1 283 . 1 1 31 31 HIS N N 15 119.537 0.300 . 1 . . . . 31 HIS N . 10198 1 284 . 1 1 31 31 HIS H H 1 7.773 0.030 . 1 . . . . 31 HIS H . 10198 1 285 . 1 1 31 31 HIS CA C 13 58.968 0.300 . 1 . . . . 31 HIS CA . 10198 1 286 . 1 1 31 31 HIS HA H 1 4.244 0.030 . 1 . . . . 31 HIS HA . 10198 1 287 . 1 1 31 31 HIS CB C 13 28.055 0.300 . 1 . . . . 31 HIS CB . 10198 1 288 . 1 1 31 31 HIS HB3 H 1 3.115 0.030 . 2 . . . . 31 HIS HB3 . 10198 1 289 . 1 1 31 31 HIS CD2 C 13 126.500 0.300 . 1 . . . . 31 HIS CD2 . 10198 1 290 . 1 1 31 31 HIS HD2 H 1 6.942 0.030 . 1 . . . . 31 HIS HD2 . 10198 1 291 . 1 1 31 31 HIS CE1 C 13 139.414 0.300 . 1 . . . . 31 HIS CE1 . 10198 1 292 . 1 1 31 31 HIS HE1 H 1 7.886 0.030 . 1 . . . . 31 HIS HE1 . 10198 1 293 . 1 1 31 31 HIS C C 13 176.042 0.300 . 1 . . . . 31 HIS C . 10198 1 294 . 1 1 31 31 HIS HB2 H 1 3.357 0.030 . 2 . . . . 31 HIS HB2 . 10198 1 295 . 1 1 32 32 GLN N N 15 114.850 0.300 . 1 . . . . 32 GLN N . 10198 1 296 . 1 1 32 32 GLN H H 1 8.297 0.030 . 1 . . . . 32 GLN H . 10198 1 297 . 1 1 32 32 GLN CA C 13 59.097 0.300 . 1 . . . . 32 GLN CA . 10198 1 298 . 1 1 32 32 GLN HA H 1 3.694 0.030 . 1 . . . . 32 GLN HA . 10198 1 299 . 1 1 32 32 GLN CB C 13 28.158 0.300 . 1 . . . . 32 GLN CB . 10198 1 300 . 1 1 32 32 GLN HB3 H 1 2.293 0.030 . 2 . . . . 32 GLN HB3 . 10198 1 301 . 1 1 32 32 GLN CG C 13 34.986 0.300 . 1 . . . . 32 GLN CG . 10198 1 302 . 1 1 32 32 GLN HG3 H 1 2.823 0.030 . 1 . . . . 32 GLN HG3 . 10198 1 303 . 1 1 32 32 GLN NE2 N 15 112.357 0.300 . 1 . . . . 32 GLN NE2 . 10198 1 304 . 1 1 32 32 GLN HE21 H 1 7.492 0.030 . 2 . . . . 32 GLN HE21 . 10198 1 305 . 1 1 32 32 GLN HE22 H 1 7.091 0.030 . 2 . . . . 32 GLN HE22 . 10198 1 306 . 1 1 32 32 GLN C C 13 177.287 0.300 . 1 . . . . 32 GLN C . 10198 1 307 . 1 1 32 32 GLN HB2 H 1 2.261 0.030 . 2 . . . . 32 GLN HB2 . 10198 1 308 . 1 1 32 32 GLN HG2 H 1 2.823 0.030 . 1 . . . . 32 GLN HG2 . 10198 1 309 . 1 1 33 33 ARG N N 15 117.557 0.300 . 1 . . . . 33 ARG N . 10198 1 310 . 1 1 33 33 ARG H H 1 7.132 0.030 . 1 . . . . 33 ARG H . 10198 1 311 . 1 1 33 33 ARG CA C 13 58.358 0.300 . 1 . . . . 33 ARG CA . 10198 1 312 . 1 1 33 33 ARG HA H 1 4.101 0.030 . 1 . . . . 33 ARG HA . 10198 1 313 . 1 1 33 33 ARG CB C 13 29.730 0.300 . 1 . . . . 33 ARG CB . 10198 1 314 . 1 1 33 33 ARG HB3 H 1 1.789 0.030 . 2 . . . . 33 ARG HB3 . 10198 1 315 . 1 1 33 33 ARG CG C 13 27.137 0.300 . 1 . . . . 33 ARG CG . 10198 1 316 . 1 1 33 33 ARG HG3 H 1 1.707 0.030 . 2 . . . . 33 ARG HG3 . 10198 1 317 . 1 1 33 33 ARG CD C 13 43.491 0.300 . 1 . . . . 33 ARG CD . 10198 1 318 . 1 1 33 33 ARG HD3 H 1 2.998 0.030 . 1 . . . . 33 ARG HD3 . 10198 1 319 . 1 1 33 33 ARG C C 13 178.499 0.300 . 1 . . . . 33 ARG C . 10198 1 320 . 1 1 33 33 ARG HB2 H 1 1.679 0.030 . 2 . . . . 33 ARG HB2 . 10198 1 321 . 1 1 33 33 ARG HD2 H 1 2.998 0.030 . 1 . . . . 33 ARG HD2 . 10198 1 322 . 1 1 33 33 ARG HG2 H 1 1.618 0.030 . 2 . . . . 33 ARG HG2 . 10198 1 323 . 1 1 34 34 VAL N N 15 116.405 0.300 . 1 . . . . 34 VAL N . 10198 1 324 . 1 1 34 34 VAL H H 1 7.885 0.030 . 1 . . . . 34 VAL H . 10198 1 325 . 1 1 34 34 VAL CA C 13 63.968 0.300 . 1 . . . . 34 VAL CA . 10198 1 326 . 1 1 34 34 VAL HA H 1 3.874 0.030 . 1 . . . . 34 VAL HA . 10198 1 327 . 1 1 34 34 VAL CB C 13 31.122 0.300 . 1 . . . . 34 VAL CB . 10198 1 328 . 1 1 34 34 VAL HB H 1 1.890 0.030 . 1 . . . . 34 VAL HB . 10198 1 329 . 1 1 34 34 VAL CG1 C 13 19.947 0.300 . 2 . . . . 34 VAL CG1 . 10198 1 330 . 1 1 34 34 VAL HG11 H 1 0.629 0.030 . 1 . . . . 34 VAL HG1 . 10198 1 331 . 1 1 34 34 VAL HG12 H 1 0.629 0.030 . 1 . . . . 34 VAL HG1 . 10198 1 332 . 1 1 34 34 VAL HG13 H 1 0.629 0.030 . 1 . . . . 34 VAL HG1 . 10198 1 333 . 1 1 34 34 VAL CG2 C 13 19.654 0.300 . 2 . . . . 34 VAL CG2 . 10198 1 334 . 1 1 34 34 VAL HG21 H 1 0.478 0.030 . 1 . . . . 34 VAL HG2 . 10198 1 335 . 1 1 34 34 VAL HG22 H 1 0.478 0.030 . 1 . . . . 34 VAL HG2 . 10198 1 336 . 1 1 34 34 VAL HG23 H 1 0.478 0.030 . 1 . . . . 34 VAL HG2 . 10198 1 337 . 1 1 34 34 VAL C C 13 177.300 0.300 . 1 . . . . 34 VAL C . 10198 1 338 . 1 1 35 35 HIS N N 15 117.405 0.300 . 1 . . . . 35 HIS N . 10198 1 339 . 1 1 35 35 HIS H H 1 7.235 0.030 . 1 . . . . 35 HIS H . 10198 1 340 . 1 1 35 35 HIS CA C 13 55.330 0.300 . 1 . . . . 35 HIS CA . 10198 1 341 . 1 1 35 35 HIS HA H 1 4.857 0.030 . 1 . . . . 35 HIS HA . 10198 1 342 . 1 1 35 35 HIS CB C 13 28.661 0.300 . 1 . . . . 35 HIS CB . 10198 1 343 . 1 1 35 35 HIS HB3 H 1 3.352 0.030 . 2 . . . . 35 HIS HB3 . 10198 1 344 . 1 1 35 35 HIS CD2 C 13 127.642 0.300 . 1 . . . . 35 HIS CD2 . 10198 1 345 . 1 1 35 35 HIS HD2 H 1 6.719 0.030 . 1 . . . . 35 HIS HD2 . 10198 1 346 . 1 1 35 35 HIS CE1 C 13 139.924 0.300 . 1 . . . . 35 HIS CE1 . 10198 1 347 . 1 1 35 35 HIS HE1 H 1 8.037 0.030 . 1 . . . . 35 HIS HE1 . 10198 1 348 . 1 1 35 35 HIS C C 13 175.854 0.300 . 1 . . . . 35 HIS C . 10198 1 349 . 1 1 35 35 HIS HB2 H 1 3.195 0.030 . 2 . . . . 35 HIS HB2 . 10198 1 350 . 1 1 36 36 THR N N 15 112.155 0.300 . 1 . . . . 36 THR N . 10198 1 351 . 1 1 36 36 THR H H 1 7.788 0.030 . 1 . . . . 36 THR H . 10198 1 352 . 1 1 36 36 THR CA C 13 62.772 0.300 . 1 . . . . 36 THR CA . 10198 1 353 . 1 1 36 36 THR HA H 1 4.328 0.030 . 1 . . . . 36 THR HA . 10198 1 354 . 1 1 36 36 THR CB C 13 69.799 0.300 . 1 . . . . 36 THR CB . 10198 1 355 . 1 1 36 36 THR HB H 1 4.313 0.030 . 1 . . . . 36 THR HB . 10198 1 356 . 1 1 36 36 THR CG2 C 13 21.642 0.300 . 1 . . . . 36 THR CG2 . 10198 1 357 . 1 1 36 36 THR HG21 H 1 1.239 0.030 . 1 . . . . 36 THR HG2 . 10198 1 358 . 1 1 36 36 THR HG22 H 1 1.239 0.030 . 1 . . . . 36 THR HG2 . 10198 1 359 . 1 1 36 36 THR HG23 H 1 1.239 0.030 . 1 . . . . 36 THR HG2 . 10198 1 360 . 1 1 36 36 THR C C 13 175.542 0.300 . 1 . . . . 36 THR C . 10198 1 361 . 1 1 37 37 GLY N N 15 110.545 0.300 . 1 . . . . 37 GLY N . 10198 1 362 . 1 1 37 37 GLY H H 1 8.233 0.030 . 1 . . . . 37 GLY H . 10198 1 363 . 1 1 37 37 GLY CA C 13 45.526 0.300 . 1 . . . . 37 GLY CA . 10198 1 364 . 1 1 37 37 GLY HA3 H 1 4.024 0.030 . 2 . . . . 37 GLY HA3 . 10198 1 365 . 1 1 37 37 GLY C C 13 174.293 0.300 . 1 . . . . 37 GLY C . 10198 1 366 . 1 1 37 37 GLY HA2 H 1 3.942 0.030 . 2 . . . . 37 GLY HA2 . 10198 1 367 . 1 1 38 38 GLU N N 15 120.757 0.300 . 1 . . . . 38 GLU N . 10198 1 368 . 1 1 38 38 GLU H H 1 8.087 0.030 . 1 . . . . 38 GLU H . 10198 1 369 . 1 1 38 38 GLU CA C 13 56.756 0.300 . 1 . . . . 38 GLU CA . 10198 1 370 . 1 1 38 38 GLU HA H 1 4.226 0.030 . 1 . . . . 38 GLU HA . 10198 1 371 . 1 1 38 38 GLU CB C 13 30.420 0.300 . 1 . . . . 38 GLU CB . 10198 1 372 . 1 1 38 38 GLU HB3 H 1 2.008 0.030 . 2 . . . . 38 GLU HB3 . 10198 1 373 . 1 1 38 38 GLU CG C 13 36.277 0.300 . 1 . . . . 38 GLU CG . 10198 1 374 . 1 1 38 38 GLU HG3 H 1 2.286 0.030 . 2 . . . . 38 GLU HG3 . 10198 1 375 . 1 1 38 38 GLU C C 13 176.480 0.300 . 1 . . . . 38 GLU C . 10198 1 376 . 1 1 38 38 GLU HB2 H 1 1.952 0.030 . 2 . . . . 38 GLU HB2 . 10198 1 377 . 1 1 38 38 GLU HG2 H 1 2.222 0.030 . 2 . . . . 38 GLU HG2 . 10198 1 378 . 1 1 39 39 LYS N N 15 122.154 0.300 . 1 . . . . 39 LYS N . 10198 1 379 . 1 1 39 39 LYS H H 1 8.322 0.030 . 1 . . . . 39 LYS H . 10198 1 380 . 1 1 39 39 LYS CA C 13 56.239 0.300 . 1 . . . . 39 LYS CA . 10198 1 381 . 1 1 39 39 LYS HA H 1 4.315 0.030 . 1 . . . . 39 LYS HA . 10198 1 382 . 1 1 39 39 LYS CB C 13 32.799 0.300 . 1 . . . . 39 LYS CB . 10198 1 383 . 1 1 39 39 LYS HB3 H 1 1.842 0.030 . 2 . . . . 39 LYS HB3 . 10198 1 384 . 1 1 39 39 LYS CG C 13 24.729 0.300 . 1 . . . . 39 LYS CG . 10198 1 385 . 1 1 39 39 LYS HG3 H 1 1.463 0.030 . 2 . . . . 39 LYS HG3 . 10198 1 386 . 1 1 39 39 LYS CD C 13 29.038 0.300 . 1 . . . . 39 LYS CD . 10198 1 387 . 1 1 39 39 LYS HD3 H 1 1.672 0.030 . 1 . . . . 39 LYS HD3 . 10198 1 388 . 1 1 39 39 LYS CE C 13 42.211 0.300 . 1 . . . . 39 LYS CE . 10198 1 389 . 1 1 39 39 LYS HE3 H 1 2.992 0.030 . 1 . . . . 39 LYS HE3 . 10198 1 390 . 1 1 39 39 LYS C C 13 176.535 0.300 . 1 . . . . 39 LYS C . 10198 1 391 . 1 1 39 39 LYS HB2 H 1 1.760 0.030 . 2 . . . . 39 LYS HB2 . 10198 1 392 . 1 1 39 39 LYS HD2 H 1 1.672 0.030 . 1 . . . . 39 LYS HD2 . 10198 1 393 . 1 1 39 39 LYS HE2 H 1 2.992 0.030 . 1 . . . . 39 LYS HE2 . 10198 1 394 . 1 1 39 39 LYS HG2 H 1 1.410 0.030 . 2 . . . . 39 LYS HG2 . 10198 1 395 . 1 1 40 40 LEU N N 15 123.630 0.300 . 1 . . . . 40 LEU N . 10198 1 396 . 1 1 40 40 LEU H H 1 8.299 0.030 . 1 . . . . 40 LEU H . 10198 1 397 . 1 1 40 40 LEU CA C 13 55.167 0.300 . 1 . . . . 40 LEU CA . 10198 1 398 . 1 1 40 40 LEU HA H 1 4.398 0.030 . 1 . . . . 40 LEU HA . 10198 1 399 . 1 1 40 40 LEU CB C 13 42.364 0.300 . 1 . . . . 40 LEU CB . 10198 1 400 . 1 1 40 40 LEU HB3 H 1 1.671 0.030 . 2 . . . . 40 LEU HB3 . 10198 1 401 . 1 1 40 40 LEU CG C 13 26.950 0.300 . 1 . . . . 40 LEU CG . 10198 1 402 . 1 1 40 40 LEU HG H 1 1.632 0.030 . 1 . . . . 40 LEU HG . 10198 1 403 . 1 1 40 40 LEU CD1 C 13 25.077 0.300 . 2 . . . . 40 LEU CD1 . 10198 1 404 . 1 1 40 40 LEU HD11 H 1 0.912 0.030 . 1 . . . . 40 LEU HD1 . 10198 1 405 . 1 1 40 40 LEU HD12 H 1 0.912 0.030 . 1 . . . . 40 LEU HD1 . 10198 1 406 . 1 1 40 40 LEU HD13 H 1 0.912 0.030 . 1 . . . . 40 LEU HD1 . 10198 1 407 . 1 1 40 40 LEU CD2 C 13 23.342 0.300 . 2 . . . . 40 LEU CD2 . 10198 1 408 . 1 1 40 40 LEU HD21 H 1 0.852 0.030 . 1 . . . . 40 LEU HD2 . 10198 1 409 . 1 1 40 40 LEU HD22 H 1 0.852 0.030 . 1 . . . . 40 LEU HD2 . 10198 1 410 . 1 1 40 40 LEU HD23 H 1 0.852 0.030 . 1 . . . . 40 LEU HD2 . 10198 1 411 . 1 1 40 40 LEU C C 13 177.392 0.300 . 1 . . . . 40 LEU C . 10198 1 412 . 1 1 40 40 LEU HB2 H 1 1.604 0.030 . 2 . . . . 40 LEU HB2 . 10198 1 413 . 1 1 41 41 SER N N 15 116.506 0.300 . 1 . . . . 41 SER N . 10198 1 414 . 1 1 41 41 SER H H 1 8.307 0.030 . 1 . . . . 41 SER H . 10198 1 415 . 1 1 41 41 SER CA C 13 58.290 0.300 . 1 . . . . 41 SER CA . 10198 1 416 . 1 1 41 41 SER HA H 1 4.449 0.030 . 1 . . . . 41 SER HA . 10198 1 417 . 1 1 41 41 SER CB C 13 64.054 0.300 . 1 . . . . 41 SER CB . 10198 1 418 . 1 1 41 41 SER HB3 H 1 3.834 0.030 . 1 . . . . 41 SER HB3 . 10198 1 419 . 1 1 41 41 SER C C 13 174.470 0.300 . 1 . . . . 41 SER C . 10198 1 420 . 1 1 41 41 SER HB2 H 1 3.834 0.030 . 1 . . . . 41 SER HB2 . 10198 1 421 . 1 1 42 42 GLY N N 15 110.630 0.300 . 1 . . . . 42 GLY N . 10198 1 422 . 1 1 42 42 GLY H H 1 8.215 0.030 . 1 . . . . 42 GLY H . 10198 1 423 . 1 1 42 42 GLY CA C 13 44.768 0.300 . 1 . . . . 42 GLY CA . 10198 1 424 . 1 1 42 42 GLY HA3 H 1 4.145 0.030 . 1 . . . . 42 GLY HA3 . 10198 1 425 . 1 1 42 42 GLY C C 13 171.726 0.300 . 1 . . . . 42 GLY C . 10198 1 426 . 1 1 42 42 GLY HA2 H 1 4.145 0.030 . 1 . . . . 42 GLY HA2 . 10198 1 427 . 1 1 43 43 PRO CA C 13 63.300 0.300 . 1 . . . . 43 PRO CA . 10198 1 428 . 1 1 43 43 PRO HA H 1 4.487 0.030 . 1 . . . . 43 PRO HA . 10198 1 429 . 1 1 43 43 PRO CB C 13 32.225 0.300 . 1 . . . . 43 PRO CB . 10198 1 430 . 1 1 43 43 PRO HB3 H 1 1.989 0.030 . 2 . . . . 43 PRO HB3 . 10198 1 431 . 1 1 43 43 PRO CG C 13 27.168 0.300 . 1 . . . . 43 PRO CG . 10198 1 432 . 1 1 43 43 PRO HG3 H 1 2.026 0.030 . 1 . . . . 43 PRO HG3 . 10198 1 433 . 1 1 43 43 PRO CD C 13 49.807 0.300 . 1 . . . . 43 PRO CD . 10198 1 434 . 1 1 43 43 PRO HD3 H 1 3.634 0.030 . 1 . . . . 43 PRO HD3 . 10198 1 435 . 1 1 43 43 PRO C C 13 177.377 0.300 . 1 . . . . 43 PRO C . 10198 1 436 . 1 1 43 43 PRO HB2 H 1 2.307 0.030 . 2 . . . . 43 PRO HB2 . 10198 1 437 . 1 1 43 43 PRO HD2 H 1 3.634 0.030 . 1 . . . . 43 PRO HD2 . 10198 1 438 . 1 1 43 43 PRO HG2 H 1 2.026 0.030 . 1 . . . . 43 PRO HG2 . 10198 1 439 . 1 1 44 44 SER N N 15 116.384 0.300 . 1 . . . . 44 SER N . 10198 1 440 . 1 1 44 44 SER H H 1 8.538 0.030 . 1 . . . . 44 SER H . 10198 1 441 . 1 1 44 44 SER CA C 13 58.396 0.300 . 1 . . . . 44 SER CA . 10198 1 442 . 1 1 44 44 SER HA H 1 4.462 0.030 . 1 . . . . 44 SER HA . 10198 1 443 . 1 1 44 44 SER CB C 13 63.785 0.300 . 1 . . . . 44 SER CB . 10198 1 444 . 1 1 44 44 SER HB3 H 1 3.871 0.030 . 1 . . . . 44 SER HB3 . 10198 1 445 . 1 1 44 44 SER C C 13 174.636 0.300 . 1 . . . . 44 SER C . 10198 1 446 . 1 1 44 44 SER HB2 H 1 3.871 0.030 . 1 . . . . 44 SER HB2 . 10198 1 447 . 1 1 45 45 SER N N 15 117.830 0.300 . 1 . . . . 45 SER N . 10198 1 448 . 1 1 45 45 SER H H 1 8.331 0.030 . 1 . . . . 45 SER H . 10198 1 449 . 1 1 45 45 SER CA C 13 58.388 0.300 . 1 . . . . 45 SER CA . 10198 1 450 . 1 1 45 45 SER HA H 1 4.452 0.030 . 1 . . . . 45 SER HA . 10198 1 451 . 1 1 45 45 SER CB C 13 64.109 0.300 . 1 . . . . 45 SER CB . 10198 1 452 . 1 1 45 45 SER HB3 H 1 3.855 0.030 . 1 . . . . 45 SER HB3 . 10198 1 453 . 1 1 45 45 SER C C 13 173.898 0.300 . 1 . . . . 45 SER C . 10198 1 454 . 1 1 45 45 SER HB2 H 1 3.855 0.030 . 1 . . . . 45 SER HB2 . 10198 1 455 . 1 1 46 46 GLY N N 15 116.868 0.300 . 1 . . . . 46 GLY N . 10198 1 456 . 1 1 46 46 GLY H H 1 8.055 0.030 . 1 . . . . 46 GLY H . 10198 1 457 . 1 1 46 46 GLY CA C 13 46.227 0.300 . 1 . . . . 46 GLY CA . 10198 1 458 . 1 1 46 46 GLY HA3 H 1 3.808 0.030 . 2 . . . . 46 GLY HA3 . 10198 1 459 . 1 1 46 46 GLY C C 13 178.968 0.300 . 1 . . . . 46 GLY C . 10198 1 460 . 1 1 46 46 GLY HA2 H 1 3.768 0.030 . 2 . . . . 46 GLY HA2 . 10198 1 stop_ save_