################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 53317 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name assigned_chemical_shifts_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 $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 2 '2D 1H-15N HSQC' . . . 53317 1 3 '3D HNCO' . . . 53317 1 4 '3D HNCACO' . . . 53317 1 5 '3D HNCA' . . . 53317 1 6 '3D CBCACONH' . . . 53317 1 7 '3D HACACONH' . . . 53317 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . 53317 1 2 $software_2 . . 53317 1 3 $software_3 . . 53317 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 1 1 GLY HA2 H 1 3.885 0.02 . 1 . . . . . 1 GLY HA2 . 53317 1 2 . 1 . 1 1 1 GLY HA3 H 1 3.885 0.02 . 1 . . . . . 1 GLY HA3 . 53317 1 3 . 1 . 1 1 1 GLY CA C 13 43.431 0.2 . 1 . . . . . 1 GLY CA . 53317 1 4 . 1 . 1 2 2 PRO HA H 1 4.391 0.02 . 1 . . . . . 2 PRO HA . 53317 1 5 . 1 . 1 2 2 PRO HB2 H 1 2.26 0.02 . 2 . . . . . 2 PRO HB2 . 53317 1 6 . 1 . 1 2 2 PRO HB3 H 1 1.883 0.02 . 2 . . . . . 2 PRO HB3 . 53317 1 7 . 1 . 1 2 2 PRO HG2 H 1 1.964 0.02 . 1 . . . . . 2 PRO HG2 . 53317 1 8 . 1 . 1 2 2 PRO HG3 H 1 1.964 0.02 . 1 . . . . . 2 PRO HG3 . 53317 1 9 . 1 . 1 2 2 PRO HD2 H 1 3.514 0.02 . 2 . . . . . 2 PRO HD1 . 53317 1 10 . 1 . 1 2 2 PRO HD3 H 1 3.52 0.02 . 2 . . . . . 2 PRO HD2 . 53317 1 11 . 1 . 1 2 2 PRO C C 13 176.52 0.2 . 1 . . . . . 2 PRO C . 53317 1 12 . 1 . 1 2 2 PRO CA C 13 62.97 0.2 . 1 . . . . . 2 PRO CA . 53317 1 13 . 1 . 1 2 2 PRO CB C 13 32.572 0.2 . 1 . . . . . 2 PRO CB . 53317 1 14 . 1 . 1 2 2 PRO CG C 13 27.064 0.2 . 1 . . . . . 2 PRO CG . 53317 1 15 . 1 . 1 2 2 PRO CD C 13 49.533 0.2 . 1 . . . . . 2 PRO CD . 53317 1 16 . 1 . 1 3 3 VAL H H 1 8.368 0.02 . 1 . . . . . 3 VAL H . 53317 1 17 . 1 . 1 3 3 VAL HA H 1 4.203 0.02 . 1 . . . . . 3 VAL HA . 53317 1 18 . 1 . 1 3 3 VAL HB H 1 1.974 0.02 . 1 . . . . . 3 VAL HB . 53317 1 19 . 1 . 1 3 3 VAL HG11 H 1 0.821 0.02 . 2 . . . . . 3 VAL MG1 . 53317 1 20 . 1 . 1 3 3 VAL HG12 H 1 0.821 0.02 . 2 . . . . . 3 VAL MG1 . 53317 1 21 . 1 . 1 3 3 VAL HG13 H 1 0.821 0.02 . 2 . . . . . 3 VAL MG1 . 53317 1 22 . 1 . 1 3 3 VAL HG21 H 1 0.821 0.02 . 2 . . . . . 3 VAL MG2 . 53317 1 23 . 1 . 1 3 3 VAL HG22 H 1 0.821 0.02 . 2 . . . . . 3 VAL MG2 . 53317 1 24 . 1 . 1 3 3 VAL HG23 H 1 0.821 0.02 . 2 . . . . . 3 VAL MG2 . 53317 1 25 . 1 . 1 3 3 VAL C C 13 175.076 0.2 . 1 . . . . . 3 VAL C . 53317 1 26 . 1 . 1 3 3 VAL CA C 13 61.589 0.2 . 1 . . . . . 3 VAL CA . 53317 1 27 . 1 . 1 3 3 VAL CB C 13 33.647 0.2 . 1 . . . . . 3 VAL CB . 53317 1 28 . 1 . 1 3 3 VAL CG1 C 13 20.718 0.2 . 1 . . . . . 3 VAL CG1 . 53317 1 29 . 1 . 1 3 3 VAL CG2 C 13 20.718 0.2 . 1 . . . . . 3 VAL CG2 . 53317 1 30 . 1 . 1 3 3 VAL N N 15 121.003 0.2 . 1 . . . . . 3 VAL N . 53317 1 31 . 1 . 1 4 4 LYS H H 1 8.336 0.02 . 1 . . . . . 4 LYS H . 53317 1 32 . 1 . 1 4 4 LYS HA H 1 4.684 0.02 . 1 . . . . . 4 LYS HA . 53317 1 33 . 1 . 1 4 4 LYS HB2 H 1 1.587 0.02 . 2 . . . . . 4 LYS HB2 . 53317 1 34 . 1 . 1 4 4 LYS HB3 H 1 1.297 0.02 . 2 . . . . . 4 LYS HB3 . 53317 1 35 . 1 . 1 4 4 LYS C C 13 175.816 0.2 . 1 . . . . . 4 LYS C . 53317 1 36 . 1 . 1 4 4 LYS CA C 13 54.606 0.2 . 1 . . . . . 4 LYS CA . 53317 1 37 . 1 . 1 4 4 LYS CB C 13 34.018 0.2 . 1 . . . . . 4 LYS CB . 53317 1 38 . 1 . 1 4 4 LYS CG C 13 24.944 0.2 . 1 . . . . . 4 LYS CG . 53317 1 39 . 1 . 1 4 4 LYS CD C 13 28.836 0.2 . 1 . . . . . 4 LYS CD . 53317 1 40 . 1 . 1 4 4 LYS CE C 13 42.147 0.2 . 1 . . . . . 4 LYS CE . 53317 1 41 . 1 . 1 4 4 LYS N N 15 123.393 0.2 . 1 . . . . . 4 LYS N . 53317 1 42 . 1 . 1 5 5 VAL H H 1 8.784 0.02 . 1 . . . . . 5 VAL H . 53317 1 43 . 1 . 1 5 5 VAL HA H 1 3.958 0.02 . 1 . . . . . 5 VAL HA . 53317 1 44 . 1 . 1 5 5 VAL HB H 1 1.569 0.02 . 1 . . . . . 5 VAL HB . 53317 1 45 . 1 . 1 5 5 VAL HG11 H 1 0.363 0.02 . 2 . . . . . 5 VAL MG1 . 53317 1 46 . 1 . 1 5 5 VAL HG12 H 1 0.363 0.02 . 2 . . . . . 5 VAL MG1 . 53317 1 47 . 1 . 1 5 5 VAL HG13 H 1 0.363 0.02 . 2 . . . . . 5 VAL MG1 . 53317 1 48 . 1 . 1 5 5 VAL HG21 H 1 0.407 0.02 . 2 . . . . . 5 VAL MG2 . 53317 1 49 . 1 . 1 5 5 VAL HG22 H 1 0.407 0.02 . 2 . . . . . 5 VAL MG2 . 53317 1 50 . 1 . 1 5 5 VAL HG23 H 1 0.407 0.02 . 2 . . . . . 5 VAL MG2 . 53317 1 51 . 1 . 1 5 5 VAL C C 13 174.374 0.2 . 1 . . . . . 5 VAL C . 53317 1 52 . 1 . 1 5 5 VAL CA C 13 61.367 0.2 . 1 . . . . . 5 VAL CA . 53317 1 53 . 1 . 1 5 5 VAL CB C 13 32.663 0.2 . 1 . . . . . 5 VAL CB . 53317 1 54 . 1 . 1 5 5 VAL CG1 C 13 20.953 0.2 . 2 . . . . . 5 VAL CG1 . 53317 1 55 . 1 . 1 5 5 VAL CG2 C 13 21.545 0.2 . 2 . . . . . 5 VAL CG2 . 53317 1 56 . 1 . 1 5 5 VAL N N 15 122.602 0.2 . 1 . . . . . 5 VAL N . 53317 1 57 . 1 . 1 6 6 LYS H H 1 8.427 0.02 . 1 . . . . . 6 LYS H . 53317 1 58 . 1 . 1 6 6 LYS HA H 1 5.078 0.02 . 1 . . . . . 6 LYS HA . 53317 1 59 . 1 . 1 6 6 LYS HB2 H 1 1.633 0.02 . 1 . . . . . 6 LYS HB2 . 53317 1 60 . 1 . 1 6 6 LYS HB3 H 1 1.633 0.02 . 1 . . . . . 6 LYS HB3 . 53317 1 61 . 1 . 1 6 6 LYS HG2 H 1 1.257 0.02 . 1 . . . . . 6 LYS HG2 . 53317 1 62 . 1 . 1 6 6 LYS HG3 H 1 1.257 0.02 . 1 . . . . . 6 LYS HG3 . 53317 1 63 . 1 . 1 6 6 LYS C C 13 175.649 0.2 . 1 . . . . . 6 LYS C . 53317 1 64 . 1 . 1 6 6 LYS CA C 13 55.248 0.2 . 1 . . . . . 6 LYS CA . 53317 1 65 . 1 . 1 6 6 LYS CB C 13 33.437 0.2 . 1 . . . . . 6 LYS CB . 53317 1 66 . 1 . 1 6 6 LYS CG C 13 25.169 0.2 . 1 . . . . . 6 LYS CG . 53317 1 67 . 1 . 1 6 6 LYS CD C 13 29.178 0.2 . 1 . . . . . 6 LYS CD . 53317 1 68 . 1 . 1 6 6 LYS CE C 13 41.818 0.2 . 1 . . . . . 6 LYS CE . 53317 1 69 . 1 . 1 6 6 LYS N N 15 128.086 0.2 . 1 . . . . . 6 LYS N . 53317 1 70 . 1 . 1 7 7 PHE H H 1 8.569 0.02 . 1 . . . . . 7 PHE H . 53317 1 71 . 1 . 1 7 7 PHE HA H 1 4.882 0.02 . 1 . . . . . 7 PHE HA . 53317 1 72 . 1 . 1 7 7 PHE HB2 H 1 2.921 0.02 . 1 . . . . . 7 PHE HB2 . 53317 1 73 . 1 . 1 7 7 PHE HB3 H 1 2.921 0.02 . 1 . . . . . 7 PHE HB3 . 53317 1 74 . 1 . 1 7 7 PHE HD1 H 1 6.902 0.02 . 1 . . . . . 7 PHE HD1 . 53317 1 75 . 1 . 1 7 7 PHE HD2 H 1 6.902 0.02 . 1 . . . . . 7 PHE HD2 . 53317 1 76 . 1 . 1 7 7 PHE HE1 H 1 6.792 0.02 . 1 . . . . . 7 PHE HE1 . 53317 1 77 . 1 . 1 7 7 PHE HE2 H 1 6.792 0.02 . 1 . . . . . 7 PHE HE2 . 53317 1 78 . 1 . 1 7 7 PHE C C 13 171.562 0.2 . 1 . . . . . 7 PHE C . 53317 1 79 . 1 . 1 7 7 PHE CA C 13 55.389 0.2 . 1 . . . . . 7 PHE CA . 53317 1 80 . 1 . 1 7 7 PHE CB C 13 40.06 0.2 . 1 . . . . . 7 PHE CB . 53317 1 81 . 1 . 1 7 7 PHE CD1 C 13 133.13 0.2 . 1 . . . . . 7 PHE CD1 . 53317 1 82 . 1 . 1 7 7 PHE CD2 C 13 133.13 0.2 . 1 . . . . . 7 PHE CD2 . 53317 1 83 . 1 . 1 7 7 PHE CE1 C 13 130.751 0.2 . 1 . . . . . 7 PHE CE1 . 53317 1 84 . 1 . 1 7 7 PHE CE2 C 13 130.751 0.2 . 1 . . . . . 7 PHE CE2 . 53317 1 85 . 1 . 1 7 7 PHE N N 15 120.244 0.2 . 1 . . . . . 7 PHE N . 53317 1 86 . 1 . 1 8 8 LYS H H 1 8.574 0.02 . 1 . . . . . 8 LYS H . 53317 1 87 . 1 . 1 8 8 LYS HA H 1 4.896 0.02 . 1 . . . . . 8 LYS HA . 53317 1 88 . 1 . 1 8 8 LYS HB2 H 1 1.447 0.02 . 2 . . . . . 8 LYS HB2 . 53317 1 89 . 1 . 1 8 8 LYS HB3 H 1 1.559 0.02 . 2 . . . . . 8 LYS HB3 . 53317 1 90 . 1 . 1 8 8 LYS C C 13 176.085 0.2 . 1 . . . . . 8 LYS C . 53317 1 91 . 1 . 1 8 8 LYS CA C 13 54.503 0.2 . 1 . . . . . 8 LYS CA . 53317 1 92 . 1 . 1 8 8 LYS CB C 13 34.573 0.2 . 1 . . . . . 8 LYS CB . 53317 1 93 . 1 . 1 8 8 LYS CG C 13 25.16 0.2 . 1 . . . . . 8 LYS CG . 53317 1 94 . 1 . 1 8 8 LYS CD C 13 29.065 0.2 . 1 . . . . . 8 LYS CD . 53317 1 95 . 1 . 1 8 8 LYS CE C 13 42.123 0.2 . 1 . . . . . 8 LYS CE . 53317 1 96 . 1 . 1 8 8 LYS N N 15 120.023 0.2 . 1 . . . . . 8 LYS N . 53317 1 97 . 1 . 1 9 9 TYR H H 1 8.842 0.02 . 1 . . . . . 9 TYR H . 53317 1 98 . 1 . 1 9 9 TYR HA H 1 4.457 0.02 . 1 . . . . . 9 TYR HA . 53317 1 99 . 1 . 1 9 9 TYR HB2 H 1 2.645 0.02 . 2 . . . . . 9 TYR HB2 . 53317 1 100 . 1 . 1 9 9 TYR HB3 H 1 2.539 0.02 . 2 . . . . . 9 TYR HB3 . 53317 1 101 . 1 . 1 9 9 TYR HD1 H 1 6.848 0.02 . 1 . . . . . 9 TYR HD1 . 53317 1 102 . 1 . 1 9 9 TYR HD2 H 1 6.848 0.02 . 1 . . . . . 9 TYR HD2 . 53317 1 103 . 1 . 1 9 9 TYR HE1 H 1 6.335 0.02 . 1 . . . . . 9 TYR HE1 . 53317 1 104 . 1 . 1 9 9 TYR HE2 H 1 6.335 0.02 . 1 . . . . . 9 TYR HE2 . 53317 1 105 . 1 . 1 9 9 TYR C C 13 174.467 0.2 . 1 . . . . . 9 TYR C . 53317 1 106 . 1 . 1 9 9 TYR CA C 13 58.087 0.2 . 1 . . . . . 9 TYR CA . 53317 1 107 . 1 . 1 9 9 TYR CB C 13 41.268 0.2 . 1 . . . . . 9 TYR CB . 53317 1 108 . 1 . 1 9 9 TYR CD1 C 13 132.617 0.2 . 1 . . . . . 9 TYR CD1 . 53317 1 109 . 1 . 1 9 9 TYR CD2 C 13 132.617 0.2 . 1 . . . . . 9 TYR CD2 . 53317 1 110 . 1 . 1 9 9 TYR CE1 C 13 118.118 0.2 . 1 . . . . . 9 TYR CE1 . 53317 1 111 . 1 . 1 9 9 TYR CE2 C 13 118.118 0.2 . 1 . . . . . 9 TYR CE2 . 53317 1 112 . 1 . 1 9 9 TYR N N 15 125.099 0.2 . 1 . . . . . 9 TYR N . 53317 1 113 . 1 . 1 10 10 LYS H H 1 9.06 0.02 . 1 . . . . . 10 LYS H . 53317 1 114 . 1 . 1 10 10 LYS HA H 1 3.52 0.02 . 1 . . . . . 10 LYS HA . 53317 1 115 . 1 . 1 10 10 LYS HB2 H 1 1.711 0.02 . 2 . . . . . 10 LYS HB2 . 53317 1 116 . 1 . 1 10 10 LYS HB3 H 1 1.442 0.02 . 2 . . . . . 10 LYS HB3 . 53317 1 117 . 1 . 1 10 10 LYS HG2 H 1 0.668 0.02 . 2 . . . . . 10 LYS HG2 . 53317 1 118 . 1 . 1 10 10 LYS HG3 H 1 0.447 0.02 . 2 . . . . . 10 LYS HG3 . 53317 1 119 . 1 . 1 10 10 LYS HD2 H 1 1.461 0.02 . 1 . . . . . 10 LYS HD2 . 53317 1 120 . 1 . 1 10 10 LYS HD3 H 1 1.461 0.02 . 1 . . . . . 10 LYS HD3 . 53317 1 121 . 1 . 1 10 10 LYS HE2 H 1 2.856 0.02 . 1 . . . . . 10 LYS HE2 . 53317 1 122 . 1 . 1 10 10 LYS HE3 H 1 2.856 0.02 . 1 . . . . . 10 LYS HE3 . 53317 1 123 . 1 . 1 10 10 LYS C C 13 176.269 0.2 . 1 . . . . . 10 LYS C . 53317 1 124 . 1 . 1 10 10 LYS CA C 13 57.171 0.2 . 1 . . . . . 10 LYS CA . 53317 1 125 . 1 . 1 10 10 LYS CB C 13 29.891 0.2 . 1 . . . . . 10 LYS CB . 53317 1 126 . 1 . 1 10 10 LYS CG C 13 25.143 0.2 . 1 . . . . . 10 LYS CG . 53317 1 127 . 1 . 1 10 10 LYS CD C 13 29.18 0.2 . 1 . . . . . 10 LYS CD . 53317 1 128 . 1 . 1 10 10 LYS CE C 13 42.584 0.2 . 1 . . . . . 10 LYS CE . 53317 1 129 . 1 . 1 10 10 LYS N N 15 128.887 0.2 . 1 . . . . . 10 LYS N . 53317 1 130 . 1 . 1 11 11 GLY H H 1 8.331 0.02 . 1 . . . . . 11 GLY H . 53317 1 131 . 1 . 1 11 11 GLY HA2 H 1 3.434 0.02 . 2 . . . . . 11 GLY HA2 . 53317 1 132 . 1 . 1 11 11 GLY HA3 H 1 4.137 0.02 . 2 . . . . . 11 GLY HA3 . 53317 1 133 . 1 . 1 11 11 GLY C C 13 173.469 0.2 . 1 . . . . . 11 GLY C . 53317 1 134 . 1 . 1 11 11 GLY CA C 13 45.249 0.2 . 1 . . . . . 11 GLY CA . 53317 1 135 . 1 . 1 11 11 GLY N N 15 103.311 0.2 . 1 . . . . . 11 GLY N . 53317 1 136 . 1 . 1 12 12 GLU H H 1 7.69 0.02 . 1 . . . . . 12 GLU H . 53317 1 137 . 1 . 1 12 12 GLU HA H 1 4.499 0.02 . 1 . . . . . 12 GLU HA . 53317 1 138 . 1 . 1 12 12 GLU HB2 H 1 1.959 0.02 . 2 . . . . . 12 GLU HB2 . 53317 1 139 . 1 . 1 12 12 GLU HB3 H 1 1.871 0.02 . 2 . . . . . 12 GLU HB3 . 53317 1 140 . 1 . 1 12 12 GLU HG2 H 1 2.211 0.02 . 2 . . . . . 12 GLU HG2 . 53317 1 141 . 1 . 1 12 12 GLU HG3 H 1 2.049 0.02 . 2 . . . . . 12 GLU HG3 . 53317 1 142 . 1 . 1 12 12 GLU C C 13 175.236 0.2 . 1 . . . . . 12 GLU C . 53317 1 143 . 1 . 1 12 12 GLU CA C 13 54.592 0.2 . 1 . . . . . 12 GLU CA . 53317 1 144 . 1 . 1 12 12 GLU CB C 13 32.304 0.2 . 1 . . . . . 12 GLU CB . 53317 1 145 . 1 . 1 12 12 GLU CG C 13 36.099 0.2 . 1 . . . . . 12 GLU CG . 53317 1 146 . 1 . 1 12 12 GLU N N 15 120.919 0.2 . 1 . . . . . 12 GLU N . 53317 1 147 . 1 . 1 13 13 GLU H H 1 8.65 0.02 . 1 . . . . . 13 GLU H . 53317 1 148 . 1 . 1 13 13 GLU HA H 1 4.248 0.02 . 1 . . . . . 13 GLU HA . 53317 1 149 . 1 . 1 13 13 GLU HB2 H 1 1.883 0.02 . 2 . . . . . 13 GLU HB2 . 53317 1 150 . 1 . 1 13 13 GLU HB3 H 1 1.747 0.02 . 2 . . . . . 13 GLU HB3 . 53317 1 151 . 1 . 1 13 13 GLU HG2 H 1 2.108 0.02 . 2 . . . . . 13 GLU HG2 . 53317 1 152 . 1 . 1 13 13 GLU HG3 H 1 1.97 0.02 . 2 . . . . . 13 GLU HG3 . 53317 1 153 . 1 . 1 13 13 GLU C C 13 175.327 0.2 . 1 . . . . . 13 GLU C . 53317 1 154 . 1 . 1 13 13 GLU CA C 13 56.927 0.2 . 1 . . . . . 13 GLU CA . 53317 1 155 . 1 . 1 13 13 GLU CB C 13 29.98 0.2 . 1 . . . . . 13 GLU CB . 53317 1 156 . 1 . 1 13 13 GLU CG C 13 36.886 0.2 . 1 . . . . . 13 GLU CG . 53317 1 157 . 1 . 1 13 13 GLU N N 15 124.412 0.2 . 1 . . . . . 13 GLU N . 53317 1 158 . 1 . 1 14 14 LYS H H 1 8.596 0.02 . 1 . . . . . 14 LYS H . 53317 1 159 . 1 . 1 14 14 LYS HA H 1 4.328 0.02 . 1 . . . . . 14 LYS HA . 53317 1 160 . 1 . 1 14 14 LYS HB2 H 1 0.873 0.02 . 2 . . . . . 14 LYS HB2 . 53317 1 161 . 1 . 1 14 14 LYS HB3 H 1 -0.06 0.02 . 2 . . . . . 14 LYS HB3 . 53317 1 162 . 1 . 1 14 14 LYS HG2 H 1 0.955 0.02 . 2 . . . . . 14 LYS HG2 . 53317 1 163 . 1 . 1 14 14 LYS HG3 H 1 0.897 0.02 . 2 . . . . . 14 LYS HG3 . 53317 1 164 . 1 . 1 14 14 LYS HD2 H 1 1.344 0.02 . 1 . . . . . 14 LYS HD2 . 53317 1 165 . 1 . 1 14 14 LYS HD3 H 1 1.344 0.02 . 1 . . . . . 14 LYS HD3 . 53317 1 166 . 1 . 1 14 14 LYS HE2 H 1 2.766 0.02 . 2 . . . . . 14 LYS HE2 . 53317 1 167 . 1 . 1 14 14 LYS HE3 H 1 2.707 0.02 . 2 . . . . . 14 LYS HE3 . 53317 1 168 . 1 . 1 14 14 LYS C C 13 174.257 0.2 . 1 . . . . . 14 LYS C . 53317 1 169 . 1 . 1 14 14 LYS CA C 13 54.086 0.2 . 1 . . . . . 14 LYS CA . 53317 1 170 . 1 . 1 14 14 LYS CB C 13 35.974 0.2 . 1 . . . . . 14 LYS CB . 53317 1 171 . 1 . 1 14 14 LYS CG C 13 24.564 0.2 . 1 . . . . . 14 LYS CG . 53317 1 172 . 1 . 1 14 14 LYS CD C 13 28.717 0.2 . 1 . . . . . 14 LYS CD . 53317 1 173 . 1 . 1 14 14 LYS CE C 13 42.134 0.2 . 1 . . . . . 14 LYS CE . 53317 1 174 . 1 . 1 14 14 LYS N N 15 125.566 0.2 . 1 . . . . . 14 LYS N . 53317 1 175 . 1 . 1 15 15 GLU H H 1 7.848 0.02 . 1 . . . . . 15 GLU H . 53317 1 176 . 1 . 1 15 15 GLU HA H 1 5.34 0.02 . 1 . . . . . 15 GLU HA . 53317 1 177 . 1 . 1 15 15 GLU HB2 H 1 1.599 0.02 . 2 . . . . . 15 GLU HB2 . 53317 1 178 . 1 . 1 15 15 GLU HB3 H 1 1.726 0.02 . 2 . . . . . 15 GLU HB3 . 53317 1 179 . 1 . 1 15 15 GLU HG2 H 1 1.894 0.02 . 1 . . . . . 15 GLU HG2 . 53317 1 180 . 1 . 1 15 15 GLU HG3 H 1 1.894 0.02 . 1 . . . . . 15 GLU HG3 . 53317 1 181 . 1 . 1 15 15 GLU C C 13 175.397 0.2 . 1 . . . . . 15 GLU C . 53317 1 182 . 1 . 1 15 15 GLU CA C 13 54.546 0.2 . 1 . . . . . 15 GLU CA . 53317 1 183 . 1 . 1 15 15 GLU CB C 13 33.704 0.2 . 1 . . . . . 15 GLU CB . 53317 1 184 . 1 . 1 15 15 GLU CG C 13 36.243 0.2 . 1 . . . . . 15 GLU CG . 53317 1 185 . 1 . 1 15 15 GLU N N 15 116.859 0.2 . 1 . . . . . 15 GLU N . 53317 1 186 . 1 . 1 16 16 VAL H H 1 8.425 0.02 . 1 . . . . . 16 VAL H . 53317 1 187 . 1 . 1 16 16 VAL HA H 1 4.237 0.02 . 1 . . . . . 16 VAL HA . 53317 1 188 . 1 . 1 16 16 VAL HB H 1 1.358 0.02 . 1 . . . . . 16 VAL HB . 53317 1 189 . 1 . 1 16 16 VAL HG11 H 1 0.357 0.02 . 2 . . . . . 16 VAL MG1 . 53317 1 190 . 1 . 1 16 16 VAL HG12 H 1 0.357 0.02 . 2 . . . . . 16 VAL MG1 . 53317 1 191 . 1 . 1 16 16 VAL HG13 H 1 0.357 0.02 . 2 . . . . . 16 VAL MG1 . 53317 1 192 . 1 . 1 16 16 VAL HG21 H 1 0.226 0.02 . 2 . . . . . 16 VAL MG2 . 53317 1 193 . 1 . 1 16 16 VAL HG22 H 1 0.226 0.02 . 2 . . . . . 16 VAL MG2 . 53317 1 194 . 1 . 1 16 16 VAL HG23 H 1 0.226 0.02 . 2 . . . . . 16 VAL MG2 . 53317 1 195 . 1 . 1 16 16 VAL C C 13 173.088 0.2 . 1 . . . . . 16 VAL C . 53317 1 196 . 1 . 1 16 16 VAL CA C 13 59.937 0.2 . 1 . . . . . 16 VAL CA . 53317 1 197 . 1 . 1 16 16 VAL CB C 13 35.715 0.2 . 1 . . . . . 16 VAL CB . 53317 1 198 . 1 . 1 16 16 VAL CG1 C 13 20.858 0.2 . 2 . . . . . 16 VAL CG1 . 53317 1 199 . 1 . 1 16 16 VAL CG2 C 13 19.742 0.2 . 2 . . . . . 16 VAL CG2 . 53317 1 200 . 1 . 1 16 16 VAL N N 15 120.924 0.2 . 1 . . . . . 16 VAL N . 53317 1 201 . 1 . 1 17 17 ASP H H 1 8.368 0.02 . 1 . . . . . 17 ASP H . 53317 1 202 . 1 . 1 17 17 ASP HA H 1 4.798 0.02 . 1 . . . . . 17 ASP HA . 53317 1 203 . 1 . 1 17 17 ASP HB2 H 1 2.385 0.02 . 2 . . . . . 17 ASP HB2 . 53317 1 204 . 1 . 1 17 17 ASP HB3 H 1 2.54 0.02 . 2 . . . . . 17 ASP HB3 . 53317 1 205 . 1 . 1 17 17 ASP C C 13 178.036 0.2 . 1 . . . . . 17 ASP C . 53317 1 206 . 1 . 1 17 17 ASP CA C 13 53.994 0.2 . 1 . . . . . 17 ASP CA . 53317 1 207 . 1 . 1 17 17 ASP CB C 13 42.984 0.2 . 1 . . . . . 17 ASP CB . 53317 1 208 . 1 . 1 17 17 ASP N N 15 127.361 0.2 . 1 . . . . . 17 ASP N . 53317 1 209 . 1 . 1 18 18 THR H H 1 8.871 0.02 . 1 . . . . . 18 THR H . 53317 1 210 . 1 . 1 18 18 THR HA H 1 3.605 0.02 . 1 . . . . . 18 THR HA . 53317 1 211 . 1 . 1 18 18 THR HB H 1 4.164 0.02 . 1 . . . . . 18 THR HB . 53317 1 212 . 1 . 1 18 18 THR HG21 H 1 0.929 0.02 . 1 . . . . . 18 THR HG2 . 53317 1 213 . 1 . 1 18 18 THR HG22 H 1 0.929 0.02 . 1 . . . . . 18 THR HG2 . 53317 1 214 . 1 . 1 18 18 THR HG23 H 1 0.929 0.02 . 1 . . . . . 18 THR HG2 . 53317 1 215 . 1 . 1 18 18 THR C C 13 176.839 0.2 . 1 . . . . . 18 THR C . 53317 1 216 . 1 . 1 18 18 THR CA C 13 65.492 0.2 . 1 . . . . . 18 THR CA . 53317 1 217 . 1 . 1 18 18 THR CB C 13 67.928 0.2 . 1 . . . . . 18 THR CB . 53317 1 218 . 1 . 1 18 18 THR CG2 C 13 22.986 0.2 . 1 . . . . . 18 THR CG2 . 53317 1 219 . 1 . 1 18 18 THR N N 15 116.047 0.2 . 1 . . . . . 18 THR N . 53317 1 220 . 1 . 1 19 19 SER H H 1 8.748 0.02 . 1 . . . . . 19 SER H . 53317 1 221 . 1 . 1 19 19 SER HA H 1 4.268 0.02 . 1 . . . . . 19 SER HA . 53317 1 222 . 1 . 1 19 19 SER HB2 H 1 3.983 0.02 . 2 . . . . . 19 SER HB2 . 53317 1 223 . 1 . 1 19 19 SER HB3 H 1 3.857 0.02 . 2 . . . . . 19 SER HB3 . 53317 1 224 . 1 . 1 19 19 SER C C 13 175.464 0.2 . 1 . . . . . 19 SER C . 53317 1 225 . 1 . 1 19 19 SER CA C 13 60.744 0.2 . 1 . . . . . 19 SER CA . 53317 1 226 . 1 . 1 19 19 SER CB C 13 62.99 0.2 . 1 . . . . . 19 SER CB . 53317 1 227 . 1 . 1 19 19 SER N N 15 117.041 0.2 . 1 . . . . . 19 SER N . 53317 1 228 . 1 . 1 20 20 LYS H H 1 7.826 0.02 . 1 . . . . . 20 LYS H . 53317 1 229 . 1 . 1 20 20 LYS HA H 1 4.521 0.02 . 1 . . . . . 20 LYS HA . 53317 1 230 . 1 . 1 20 20 LYS HB2 H 1 2.282 0.02 . 2 . . . . . 20 LYS HB2 . 53317 1 231 . 1 . 1 20 20 LYS HB3 H 1 1.798 0.02 . 2 . . . . . 20 LYS HB3 . 53317 1 232 . 1 . 1 20 20 LYS C C 13 176.086 0.2 . 1 . . . . . 20 LYS C . 53317 1 233 . 1 . 1 20 20 LYS CA C 13 54.635 0.2 . 1 . . . . . 20 LYS CA . 53317 1 234 . 1 . 1 20 20 LYS CB C 13 31.816 0.2 . 1 . . . . . 20 LYS CB . 53317 1 235 . 1 . 1 20 20 LYS N N 15 119.55 0.2 . 1 . . . . . 20 LYS N . 53317 1 236 . 1 . 1 21 21 ILE H H 1 7.13 0.02 . 1 . . . . . 21 ILE H . 53317 1 237 . 1 . 1 21 21 ILE HA H 1 4.426 0.02 . 1 . . . . . 21 ILE HA . 53317 1 238 . 1 . 1 21 21 ILE HB H 1 1.808 0.02 . 1 . . . . . 21 ILE HB . 53317 1 239 . 1 . 1 21 21 ILE HG12 H 1 1.608 0.02 . 2 . . . . . 21 ILE HG12 . 53317 1 240 . 1 . 1 21 21 ILE HG13 H 1 0.759 0.02 . 2 . . . . . 21 ILE HG13 . 53317 1 241 . 1 . 1 21 21 ILE HG21 H 1 0.938 0.02 . 1 . . . . . 21 ILE HG2 . 53317 1 242 . 1 . 1 21 21 ILE HG22 H 1 0.938 0.02 . 1 . . . . . 21 ILE HG2 . 53317 1 243 . 1 . 1 21 21 ILE HG23 H 1 0.938 0.02 . 1 . . . . . 21 ILE HG2 . 53317 1 244 . 1 . 1 21 21 ILE HD11 H 1 0.146 0.02 . 1 . . . . . 21 ILE HD1 . 53317 1 245 . 1 . 1 21 21 ILE HD12 H 1 0.146 0.02 . 1 . . . . . 21 ILE HD1 . 53317 1 246 . 1 . 1 21 21 ILE HD13 H 1 0.146 0.02 . 1 . . . . . 21 ILE HD1 . 53317 1 247 . 1 . 1 21 21 ILE C C 13 176.69 0.2 . 1 . . . . . 21 ILE C . 53317 1 248 . 1 . 1 21 21 ILE CA C 13 62.198 0.2 . 1 . . . . . 21 ILE CA . 53317 1 249 . 1 . 1 21 21 ILE CB C 13 38.086 0.2 . 1 . . . . . 21 ILE CB . 53317 1 250 . 1 . 1 21 21 ILE CG1 C 13 28.771 0.2 . 1 . . . . . 21 ILE CG1 . 53317 1 251 . 1 . 1 21 21 ILE CG2 C 13 17.804 0.2 . 1 . . . . . 21 ILE CG2 . 53317 1 252 . 1 . 1 21 21 ILE CD1 C 13 13.903 0.2 . 1 . . . . . 21 ILE CD1 . 53317 1 253 . 1 . 1 21 21 ILE N N 15 120.249 0.2 . 1 . . . . . 21 ILE N . 53317 1 254 . 1 . 1 22 22 THR H H 1 9.118 0.02 . 1 . . . . . 22 THR H . 53317 1 255 . 1 . 1 22 22 THR HA H 1 4.375 0.02 . 1 . . . . . 22 THR HA . 53317 1 256 . 1 . 1 22 22 THR HB H 1 4.344 0.02 . 1 . . . . . 22 THR HB . 53317 1 257 . 1 . 1 22 22 THR HG21 H 1 1.23 0.02 . 1 . . . . . 22 THR MG . 53317 1 258 . 1 . 1 22 22 THR HG22 H 1 1.23 0.02 . 1 . . . . . 22 THR MG . 53317 1 259 . 1 . 1 22 22 THR HG23 H 1 1.23 0.02 . 1 . . . . . 22 THR MG . 53317 1 260 . 1 . 1 22 22 THR C C 13 175.045 0.2 . 1 . . . . . 22 THR C . 53317 1 261 . 1 . 1 22 22 THR CA C 13 62.063 0.2 . 1 . . . . . 22 THR CA . 53317 1 262 . 1 . 1 22 22 THR CB C 13 69.528 0.2 . 1 . . . . . 22 THR CB . 53317 1 263 . 1 . 1 22 22 THR CG2 C 13 22.146 0.2 . 1 . . . . . 22 THR CG2 . 53317 1 264 . 1 . 1 22 22 THR N N 15 119.196 0.2 . 1 . . . . . 22 THR N . 53317 1 265 . 1 . 1 23 23 HIS H H 1 7.478 0.02 . 1 . . . . . 23 HIS H . 53317 1 266 . 1 . 1 23 23 HIS HA H 1 4.908 0.02 . 1 . . . . . 23 HIS HA . 53317 1 267 . 1 . 1 23 23 HIS HB2 H 1 3.086 0.02 . 2 . . . . . 23 HIS HB2 . 53317 1 268 . 1 . 1 23 23 HIS HB3 H 1 2.566 0.02 . 2 . . . . . 23 HIS HB3 . 53317 1 269 . 1 . 1 23 23 HIS HD2 H 1 6.405 0.02 . 1 . . . . . 23 HIS HD2 . 53317 1 270 . 1 . 1 23 23 HIS C C 13 172.846 0.2 . 1 . . . . . 23 HIS C . 53317 1 271 . 1 . 1 23 23 HIS CA C 13 56.673 0.2 . 1 . . . . . 23 HIS CA . 53317 1 272 . 1 . 1 23 23 HIS CB C 13 33.647 0.2 . 1 . . . . . 23 HIS CB . 53317 1 273 . 1 . 1 23 23 HIS CD2 C 13 120.277 0.2 . 1 . . . . . 23 HIS CD2 . 53317 1 274 . 1 . 1 23 23 HIS N N 15 120.763 0.2 . 1 . . . . . 23 HIS N . 53317 1 275 . 1 . 1 24 24 VAL H H 1 7.573 0.02 . 1 . . . . . 24 VAL H . 53317 1 276 . 1 . 1 24 24 VAL HA H 1 4.978 0.02 . 1 . . . . . 24 VAL HA . 53317 1 277 . 1 . 1 24 24 VAL HB H 1 1.646 0.02 . 1 . . . . . 24 VAL HB . 53317 1 278 . 1 . 1 24 24 VAL HG11 H 1 0.715 0.02 . 2 . . . . . 24 VAL MG1 . 53317 1 279 . 1 . 1 24 24 VAL HG12 H 1 0.715 0.02 . 2 . . . . . 24 VAL MG1 . 53317 1 280 . 1 . 1 24 24 VAL HG13 H 1 0.715 0.02 . 2 . . . . . 24 VAL MG1 . 53317 1 281 . 1 . 1 24 24 VAL HG21 H 1 0.756 0.02 . 2 . . . . . 24 VAL MG2 . 53317 1 282 . 1 . 1 24 24 VAL HG22 H 1 0.756 0.02 . 2 . . . . . 24 VAL MG2 . 53317 1 283 . 1 . 1 24 24 VAL HG23 H 1 0.756 0.02 . 2 . . . . . 24 VAL MG2 . 53317 1 284 . 1 . 1 24 24 VAL C C 13 172.413 0.2 . 1 . . . . . 24 VAL C . 53317 1 285 . 1 . 1 24 24 VAL CA C 13 59.731 0.2 . 1 . . . . . 24 VAL CA . 53317 1 286 . 1 . 1 24 24 VAL CB C 13 35.163 0.2 . 1 . . . . . 24 VAL CB . 53317 1 287 . 1 . 1 24 24 VAL CG1 C 13 21.165 0.2 . 2 . . . . . 24 VAL CG1 . 53317 1 288 . 1 . 1 24 24 VAL CG2 C 13 22.271 0.2 . 2 . . . . . 24 VAL CG2 . 53317 1 289 . 1 . 1 24 24 VAL N N 15 121.937 0.2 . 1 . . . . . 24 VAL N . 53317 1 290 . 1 . 1 25 25 PHE H H 1 8.712 0.02 . 1 . . . . . 25 PHE H . 53317 1 291 . 1 . 1 25 25 PHE HA H 1 4.633 0.02 . 1 . . . . . 25 PHE HA . 53317 1 292 . 1 . 1 25 25 PHE HB2 H 1 3.053 0.02 . 1 . . . . . 25 PHE HB2 . 53317 1 293 . 1 . 1 25 25 PHE HB3 H 1 3.053 0.02 . 1 . . . . . 25 PHE HB3 . 53317 1 294 . 1 . 1 25 25 PHE HD1 H 1 6.726 0.02 . 1 . . . . . 25 PHE HD1 . 53317 1 295 . 1 . 1 25 25 PHE HD2 H 1 6.726 0.02 . 1 . . . . . 25 PHE HD2 . 53317 1 296 . 1 . 1 25 25 PHE HE1 H 1 6.882 0.02 . 1 . . . . . 25 PHE HE1 . 53317 1 297 . 1 . 1 25 25 PHE HE2 H 1 6.882 0.02 . 1 . . . . . 25 PHE HE2 . 53317 1 298 . 1 . 1 25 25 PHE HZ H 1 7.335 0.02 . 1 . . . . . 25 PHE HZ . 53317 1 299 . 1 . 1 25 25 PHE C C 13 171.794 0.2 . 1 . . . . . 25 PHE C . 53317 1 300 . 1 . 1 25 25 PHE CA C 13 56.352 0.2 . 1 . . . . . 25 PHE CA . 53317 1 301 . 1 . 1 25 25 PHE CB C 13 39.88 0.2 . 1 . . . . . 25 PHE CB . 53317 1 302 . 1 . 1 25 25 PHE CD1 C 13 133.3 0.2 . 1 . . . . . 25 PHE CD1 . 53317 1 303 . 1 . 1 25 25 PHE CD2 C 13 133.3 0.2 . 1 . . . . . 25 PHE CD2 . 53317 1 304 . 1 . 1 25 25 PHE N N 15 119.877 0.2 . 1 . . . . . 25 PHE N . 53317 1 305 . 1 . 1 26 26 ARG H H 1 8.884 0.02 . 1 . . . . . 26 ARG H . 53317 1 306 . 1 . 1 26 26 ARG HA H 1 4.953 0.02 . 1 . . . . . 26 ARG HA . 53317 1 307 . 1 . 1 26 26 ARG HB2 H 1 1.83 0.02 . 2 . . . . . 26 ARG HB2 . 53317 1 308 . 1 . 1 26 26 ARG HB3 H 1 1.788 0.02 . 2 . . . . . 26 ARG HB3 . 53317 1 309 . 1 . 1 26 26 ARG CA C 13 55.82 0.2 . 1 . . . . . 26 ARG CA . 53317 1 310 . 1 . 1 26 26 ARG CB C 13 32.904 0.2 . 1 . . . . . 26 ARG CB . 53317 1 311 . 1 . 1 26 26 ARG N N 15 120.013 0.2 . 1 . . . . . 26 ARG N . 53317 1 312 . 1 . 1 27 27 HIS H H 1 8.928 0.02 . 1 . . . . . 27 HIS H . 53317 1 313 . 1 . 1 27 27 HIS HD2 H 1 6.892 0.02 . 1 . . . . . 27 HIS HD2 . 53317 1 314 . 1 . 1 27 27 HIS HE1 H 1 8.104 0.02 . 1 . . . . . 27 HIS HE1 . 53317 1 315 . 1 . 1 27 27 HIS CD2 C 13 118.825 0.2 . 1 . . . . . 27 HIS CD2 . 53317 1 316 . 1 . 1 27 27 HIS CE1 C 13 139.479 0.2 . 1 . . . . . 27 HIS CE1 . 53317 1 317 . 1 . 1 27 27 HIS N N 15 126.31 0.2 . 1 . . . . . 27 HIS N . 53317 1 318 . 1 . 1 28 28 GLY CA C 13 43.4 0.2 . 1 . . . . . 28 GLY CA . 53317 1 319 . 1 . 1 29 29 LYS H H 1 8.498 0.02 . 1 . . . . . 29 LYS H . 53317 1 320 . 1 . 1 29 29 LYS HA H 1 4.411 0.02 . 1 . . . . . 29 LYS HA . 53317 1 321 . 1 . 1 29 29 LYS C C 13 175.229 0.2 . 1 . . . . . 29 LYS C . 53317 1 322 . 1 . 1 29 29 LYS CB C 13 29.295 0.2 . 1 . . . . . 29 LYS CB . 53317 1 323 . 1 . 1 29 29 LYS N N 15 120.87 0.2 . 1 . . . . . 29 LYS N . 53317 1 324 . 1 . 1 30 30 LEU H H 1 8.178 0.02 . 1 . . . . . 30 LEU H . 53317 1 325 . 1 . 1 30 30 LEU HA H 1 4.555 0.02 . 1 . . . . . 30 LEU HA . 53317 1 326 . 1 . 1 30 30 LEU HD11 H 1 0.561 0.02 . 2 . . . . . 30 LEU MD1 . 53317 1 327 . 1 . 1 30 30 LEU HD12 H 1 0.561 0.02 . 2 . . . . . 30 LEU MD1 . 53317 1 328 . 1 . 1 30 30 LEU HD13 H 1 0.561 0.02 . 2 . . . . . 30 LEU MD1 . 53317 1 329 . 1 . 1 30 30 LEU HD21 H 1 0.704 0.02 . 2 . . . . . 30 LEU MD2 . 53317 1 330 . 1 . 1 30 30 LEU HD22 H 1 0.704 0.02 . 2 . . . . . 30 LEU MD2 . 53317 1 331 . 1 . 1 30 30 LEU HD23 H 1 0.704 0.02 . 2 . . . . . 30 LEU MD2 . 53317 1 332 . 1 . 1 30 30 LEU C C 13 174.844 0.2 . 1 . . . . . 30 LEU C . 53317 1 333 . 1 . 1 30 30 LEU CA C 13 53.775 0.2 . 1 . . . . . 30 LEU CA . 53317 1 334 . 1 . 1 30 30 LEU CB C 13 43.873 0.2 . 1 . . . . . 30 LEU CB . 53317 1 335 . 1 . 1 30 30 LEU CD1 C 13 22.796 0.2 . 2 . . . . . 30 LEU CD1 . 53317 1 336 . 1 . 1 30 30 LEU CD2 C 13 25.425 0.2 . 2 . . . . . 30 LEU CD2 . 53317 1 337 . 1 . 1 30 30 LEU N N 15 120.639 0.2 . 1 . . . . . 30 LEU N . 53317 1 338 . 1 . 1 31 31 VAL H H 1 8.866 0.02 . 1 . . . . . 31 VAL H . 53317 1 339 . 1 . 1 31 31 VAL HA H 1 3.958 0.02 . 1 . . . . . 31 VAL HA . 53317 1 340 . 1 . 1 31 31 VAL HB H 1 1.808 0.02 . 1 . . . . . 31 VAL HB . 53317 1 341 . 1 . 1 31 31 VAL HG11 H 1 0.575 0.02 . 2 . . . . . 31 VAL MG1 . 53317 1 342 . 1 . 1 31 31 VAL HG12 H 1 0.575 0.02 . 2 . . . . . 31 VAL MG1 . 53317 1 343 . 1 . 1 31 31 VAL HG13 H 1 0.575 0.02 . 2 . . . . . 31 VAL MG1 . 53317 1 344 . 1 . 1 31 31 VAL HG21 H 1 0.554 0.02 . 2 . . . . . 31 VAL MG2 . 53317 1 345 . 1 . 1 31 31 VAL HG22 H 1 0.554 0.02 . 2 . . . . . 31 VAL MG2 . 53317 1 346 . 1 . 1 31 31 VAL HG23 H 1 0.554 0.02 . 2 . . . . . 31 VAL MG2 . 53317 1 347 . 1 . 1 31 31 VAL C C 13 173.413 0.2 . 1 . . . . . 31 VAL C . 53317 1 348 . 1 . 1 31 31 VAL CA C 13 61.915 0.2 . 1 . . . . . 31 VAL CA . 53317 1 349 . 1 . 1 31 31 VAL CB C 13 32.322 0.2 . 1 . . . . . 31 VAL CB . 53317 1 350 . 1 . 1 31 31 VAL CG1 C 13 20.536 0.2 . 2 . . . . . 31 VAL CG1 . 53317 1 351 . 1 . 1 31 31 VAL CG2 C 13 22.235 0.2 . 2 . . . . . 31 VAL CG2 . 53317 1 352 . 1 . 1 31 31 VAL N N 15 121.812 0.2 . 1 . . . . . 31 VAL N . 53317 1 353 . 1 . 1 32 32 VAL H H 1 8.444 0.02 . 1 . . . . . 32 VAL H . 53317 1 354 . 1 . 1 32 32 VAL HA H 1 3.929 0.02 . 1 . . . . . 32 VAL HA . 53317 1 355 . 1 . 1 32 32 VAL HB H 1 -0.347 0.02 . 1 . . . . . 32 VAL HB . 53317 1 356 . 1 . 1 32 32 VAL HG11 H 1 -0.19 0.02 . 2 . . . . . 32 VAL MG1 . 53317 1 357 . 1 . 1 32 32 VAL HG12 H 1 -0.19 0.02 . 2 . . . . . 32 VAL MG1 . 53317 1 358 . 1 . 1 32 32 VAL HG13 H 1 -0.19 0.02 . 2 . . . . . 32 VAL MG1 . 53317 1 359 . 1 . 1 32 32 VAL HG21 H 1 -0.351 0.02 . 2 . . . . . 32 VAL MG2 . 53317 1 360 . 1 . 1 32 32 VAL HG22 H 1 -0.351 0.02 . 2 . . . . . 32 VAL MG2 . 53317 1 361 . 1 . 1 32 32 VAL HG23 H 1 -0.351 0.02 . 2 . . . . . 32 VAL MG2 . 53317 1 362 . 1 . 1 32 32 VAL C C 13 173.483 0.2 . 1 . . . . . 32 VAL C . 53317 1 363 . 1 . 1 32 32 VAL CA C 13 59.398 0.2 . 1 . . . . . 32 VAL CA . 53317 1 364 . 1 . 1 32 32 VAL CB C 13 30.723 0.2 . 1 . . . . . 32 VAL CB . 53317 1 365 . 1 . 1 32 32 VAL CG1 C 13 20.983 0.2 . 2 . . . . . 32 VAL CG1 . 53317 1 366 . 1 . 1 32 32 VAL CG2 C 13 20.409 0.2 . 2 . . . . . 32 VAL CG2 . 53317 1 367 . 1 . 1 32 32 VAL N N 15 127.601 0.2 . 1 . . . . . 32 VAL N . 53317 1 368 . 1 . 1 33 33 PHE H H 1 7.499 0.02 . 1 . . . . . 33 PHE H . 53317 1 369 . 1 . 1 33 33 PHE HA H 1 5.573 0.02 . 1 . . . . . 33 PHE HA . 53317 1 370 . 1 . 1 33 33 PHE HD1 H 1 6.382 0.02 . 1 . . . . . 33 PHE HD1 . 53317 1 371 . 1 . 1 33 33 PHE HD2 H 1 6.382 0.02 . 1 . . . . . 33 PHE HD2 . 53317 1 372 . 1 . 1 33 33 PHE HE1 H 1 6.098 0.02 . 1 . . . . . 33 PHE HE1 . 53317 1 373 . 1 . 1 33 33 PHE HE2 H 1 6.098 0.02 . 1 . . . . . 33 PHE HE2 . 53317 1 374 . 1 . 1 33 33 PHE HZ H 1 5.314 0.02 . 1 . . . . . 33 PHE HZ . 53317 1 375 . 1 . 1 33 33 PHE C C 13 173.449 0.2 . 1 . . . . . 33 PHE C . 53317 1 376 . 1 . 1 33 33 PHE CA C 13 53.187 0.2 . 1 . . . . . 33 PHE CA . 53317 1 377 . 1 . 1 33 33 PHE CB C 13 41.499 0.2 . 1 . . . . . 33 PHE CB . 53317 1 378 . 1 . 1 33 33 PHE CD1 C 13 132.173 0.2 . 1 . . . . . 33 PHE CD1 . 53317 1 379 . 1 . 1 33 33 PHE CD2 C 13 132.173 0.2 . 1 . . . . . 33 PHE CD2 . 53317 1 380 . 1 . 1 33 33 PHE CE1 C 13 128.998 0.2 . 1 . . . . . 33 PHE CE1 . 53317 1 381 . 1 . 1 33 33 PHE CE2 C 13 128.998 0.2 . 1 . . . . . 33 PHE CE2 . 53317 1 382 . 1 . 1 33 33 PHE CZ C 13 128.69 0.2 . 1 . . . . . 33 PHE CZ . 53317 1 383 . 1 . 1 33 33 PHE N N 15 118.438 0.2 . 1 . . . . . 33 PHE N . 53317 1 384 . 1 . 1 34 34 TYR H H 1 8.785 0.02 . 1 . . . . . 34 TYR H . 53317 1 385 . 1 . 1 34 34 TYR HA H 1 5.509 0.02 . 1 . . . . . 34 TYR HA . 53317 1 386 . 1 . 1 34 34 TYR HB2 H 1 3.167 0.02 . 2 . . . . . 34 TYR HB2 . 53317 1 387 . 1 . 1 34 34 TYR HB3 H 1 3.091 0.02 . 2 . . . . . 34 TYR HB3 . 53317 1 388 . 1 . 1 34 34 TYR HD1 H 1 6.86 0.02 . 1 . . . . . 34 TYR HD1 . 53317 1 389 . 1 . 1 34 34 TYR HD2 H 1 6.86 0.02 . 1 . . . . . 34 TYR HD2 . 53317 1 390 . 1 . 1 34 34 TYR HE1 H 1 6.597 0.02 . 1 . . . . . 34 TYR HE1 . 53317 1 391 . 1 . 1 34 34 TYR HE2 H 1 6.597 0.02 . 1 . . . . . 34 TYR HE2 . 53317 1 392 . 1 . 1 34 34 TYR CA C 13 51.585 0.2 . 1 . . . . . 34 TYR CA . 53317 1 393 . 1 . 1 34 34 TYR CB C 13 38.29 0.2 . 1 . . . . . 34 TYR CB . 53317 1 394 . 1 . 1 34 34 TYR CD1 C 13 132.931 0.2 . 1 . . . . . 34 TYR CD1 . 53317 1 395 . 1 . 1 34 34 TYR CD2 C 13 132.931 0.2 . 1 . . . . . 34 TYR CD2 . 53317 1 396 . 1 . 1 34 34 TYR CE1 C 13 117.841 0.2 . 1 . . . . . 34 TYR CE1 . 53317 1 397 . 1 . 1 34 34 TYR CE2 C 13 117.841 0.2 . 1 . . . . . 34 TYR CE2 . 53317 1 398 . 1 . 1 34 34 TYR N N 15 120.287 0.2 . 1 . . . . . 34 TYR N . 53317 1 399 . 1 . 1 35 35 TYR H H 1 8.217 0.02 . 1 . . . . . 35 TYR H . 53317 1 400 . 1 . 1 35 35 TYR HA H 1 5.581 0.02 . 1 . . . . . 35 TYR HA . 53317 1 401 . 1 . 1 35 35 TYR HB2 H 1 2.664 0.02 . 2 . . . . . 35 TYR HB2 . 53317 1 402 . 1 . 1 35 35 TYR HB3 H 1 2.593 0.02 . 2 . . . . . 35 TYR HB3 . 53317 1 403 . 1 . 1 35 35 TYR HD1 H 1 6.56 0.02 . 1 . . . . . 35 TYR HD1 . 53317 1 404 . 1 . 1 35 35 TYR HD2 H 1 6.56 0.02 . 1 . . . . . 35 TYR HD2 . 53317 1 405 . 1 . 1 35 35 TYR HE1 H 1 6.183 0.02 . 1 . . . . . 35 TYR HE1 . 53317 1 406 . 1 . 1 35 35 TYR HE2 H 1 6.183 0.02 . 1 . . . . . 35 TYR HE2 . 53317 1 407 . 1 . 1 35 35 TYR C C 13 173.368 0.2 . 1 . . . . . 35 TYR C . 53317 1 408 . 1 . 1 35 35 TYR CA C 13 55.609 0.2 . 1 . . . . . 35 TYR CA . 53317 1 409 . 1 . 1 35 35 TYR CB C 13 42.65 0.2 . 1 . . . . . 35 TYR CB . 53317 1 410 . 1 . 1 35 35 TYR CD1 C 13 133.517 0.2 . 1 . . . . . 35 TYR CD1 . 53317 1 411 . 1 . 1 35 35 TYR CD2 C 13 133.517 0.2 . 1 . . . . . 35 TYR CD2 . 53317 1 412 . 1 . 1 35 35 TYR CE1 C 13 117.777 0.2 . 1 . . . . . 35 TYR CE1 . 53317 1 413 . 1 . 1 35 35 TYR CE2 C 13 117.777 0.2 . 1 . . . . . 35 TYR CE2 . 53317 1 414 . 1 . 1 35 35 TYR N N 15 116.5 0.2 . 1 . . . . . 35 TYR N . 53317 1 415 . 1 . 1 36 36 ASP H H 1 8.322 0.02 . 1 . . . . . 36 ASP H . 53317 1 416 . 1 . 1 36 36 ASP HA H 1 4.723 0.02 . 1 . . . . . 36 ASP HA . 53317 1 417 . 1 . 1 36 36 ASP HB2 H 1 2.503 0.02 . 2 . . . . . 36 ASP HB2 . 53317 1 418 . 1 . 1 36 36 ASP HB3 H 1 2.752 0.02 . 2 . . . . . 36 ASP HB3 . 53317 1 419 . 1 . 1 36 36 ASP C C 13 174.944 0.2 . 1 . . . . . 36 ASP C . 53317 1 420 . 1 . 1 36 36 ASP CA C 13 53.834 0.2 . 1 . . . . . 36 ASP CA . 53317 1 421 . 1 . 1 36 36 ASP CB C 13 42.462 0.2 . 1 . . . . . 36 ASP CB . 53317 1 422 . 1 . 1 36 36 ASP N N 15 119.857 0.2 . 1 . . . . . 36 ASP N . 53317 1 423 . 1 . 1 37 37 ASP H H 1 8.955 0.02 . 1 . . . . . 37 ASP H . 53317 1 424 . 1 . 1 37 37 ASP HB2 H 1 2.996 0.02 . 2 . . . . . 37 ASP HB2 . 53317 1 425 . 1 . 1 37 37 ASP HB3 H 1 2.233 0.02 . 2 . . . . . 37 ASP HB3 . 53317 1 426 . 1 . 1 37 37 ASP CA C 13 52.089 0.2 . 1 . . . . . 37 ASP CA . 53317 1 427 . 1 . 1 37 37 ASP CB C 13 41.716 0.2 . 1 . . . . . 37 ASP CB . 53317 1 428 . 1 . 1 37 37 ASP N N 15 124.572 0.2 . 1 . . . . . 37 ASP N . 53317 1 429 . 1 . 1 38 38 ASN HA H 1 4.334 0.02 . 1 . . . . . 38 ASN HA . 53317 1 430 . 1 . 1 38 38 ASN HB2 H 1 3.045 0.02 . 2 . . . . . 38 ASN HB2 . 53317 1 431 . 1 . 1 38 38 ASN HB3 H 1 2.664 0.02 . 2 . . . . . 38 ASN HB3 . 53317 1 432 . 1 . 1 38 38 ASN HD21 H 1 7.587 0.02 . 2 . . . . . 38 ASN HD21 . 53317 1 433 . 1 . 1 38 38 ASN HD22 H 1 6.875 0.02 . 2 . . . . . 38 ASN HD22 . 53317 1 434 . 1 . 1 38 38 ASN C C 13 174.928 0.2 . 1 . . . . . 38 ASN C . 53317 1 435 . 1 . 1 38 38 ASN CA C 13 54.21 0.2 . 1 . . . . . 38 ASN CA . 53317 1 436 . 1 . 1 38 38 ASN CB C 13 37.769 0.2 . 1 . . . . . 38 ASN CB . 53317 1 437 . 1 . 1 38 38 ASN CG C 13 178.625 0.2 . 1 . . . . . 38 ASN CG . 53317 1 438 . 1 . 1 38 38 ASN ND2 N 15 113.39 0.2 . 1 . . . . . 38 ASN ND2 . 53317 1 439 . 1 . 1 39 39 GLY H H 1 8.803 0.02 . 1 . . . . . 39 GLY H . 53317 1 440 . 1 . 1 39 39 GLY HA2 H 1 3.7 0.02 . 2 . . . . . 39 GLY HA2 . 53317 1 441 . 1 . 1 39 39 GLY HA3 H 1 4.311 0.02 . 2 . . . . . 39 GLY HA3 . 53317 1 442 . 1 . 1 39 39 GLY C C 13 174.265 0.2 . 1 . . . . . 39 GLY C . 53317 1 443 . 1 . 1 39 39 GLY CA C 13 45.319 0.2 . 1 . . . . . 39 GLY CA . 53317 1 444 . 1 . 1 39 39 GLY N N 15 106.424 0.2 . 1 . . . . . 39 GLY N . 53317 1 445 . 1 . 1 40 40 LYS H H 1 7.534 0.02 . 1 . . . . . 40 LYS H . 53317 1 446 . 1 . 1 40 40 LYS HA H 1 4.632 0.02 . 1 . . . . . 40 LYS HA . 53317 1 447 . 1 . 1 40 40 LYS HB2 H 1 1.931 0.02 . 1 . . . . . 40 LYS HB2 . 53317 1 448 . 1 . 1 40 40 LYS HB3 H 1 1.931 0.02 . 1 . . . . . 40 LYS HB3 . 53317 1 449 . 1 . 1 40 40 LYS HG2 H 1 1.44 0.02 . 1 . . . . . 40 LYS HG2 . 53317 1 450 . 1 . 1 40 40 LYS HG3 H 1 1.44 0.02 . 1 . . . . . 40 LYS HG3 . 53317 1 451 . 1 . 1 40 40 LYS C C 13 175.48 0.2 . 1 . . . . . 40 LYS C . 53317 1 452 . 1 . 1 40 40 LYS CA C 13 55.08 0.2 . 1 . . . . . 40 LYS CA . 53317 1 453 . 1 . 1 40 40 LYS CB C 13 32.726 0.2 . 1 . . . . . 40 LYS CB . 53317 1 454 . 1 . 1 40 40 LYS CG C 13 24.51 0.2 . 1 . . . . . 40 LYS CG . 53317 1 455 . 1 . 1 40 40 LYS CD C 13 28.867 0.2 . 1 . . . . . 40 LYS CD . 53317 1 456 . 1 . 1 40 40 LYS CE C 13 42.938 0.2 . 1 . . . . . 40 LYS CE . 53317 1 457 . 1 . 1 40 40 LYS N N 15 121.605 0.2 . 1 . . . . . 40 LYS N . 53317 1 458 . 1 . 1 41 41 THR H H 1 8.201 0.02 . 1 . . . . . 41 THR H . 53317 1 459 . 1 . 1 41 41 THR HA H 1 4.918 0.02 . 1 . . . . . 41 THR HA . 53317 1 460 . 1 . 1 41 41 THR HB H 1 4.106 0.02 . 1 . . . . . 41 THR HB . 53317 1 461 . 1 . 1 41 41 THR HG21 H 1 1.078 0.02 . 1 . . . . . 41 THR HG2 . 53317 1 462 . 1 . 1 41 41 THR HG22 H 1 1.078 0.02 . 1 . . . . . 41 THR HG2 . 53317 1 463 . 1 . 1 41 41 THR HG23 H 1 1.078 0.02 . 1 . . . . . 41 THR HG2 . 53317 1 464 . 1 . 1 41 41 THR C C 13 174.576 0.2 . 1 . . . . . 41 THR C . 53317 1 465 . 1 . 1 41 41 THR CA C 13 59.885 0.2 . 1 . . . . . 41 THR CA . 53317 1 466 . 1 . 1 41 41 THR CB C 13 70.755 0.2 . 1 . . . . . 41 THR CB . 53317 1 467 . 1 . 1 41 41 THR CG2 C 13 21.723 0.2 . 1 . . . . . 41 THR CG2 . 53317 1 468 . 1 . 1 41 41 THR N N 15 116.601 0.2 . 1 . . . . . 41 THR N . 53317 1 469 . 1 . 1 42 42 GLY H H 1 7.247 0.02 . 1 . . . . . 42 GLY H . 53317 1 470 . 1 . 1 42 42 GLY HA2 H 1 3.784 0.02 . 2 . . . . . 42 GLY HA2 . 53317 1 471 . 1 . 1 42 42 GLY HA3 H 1 3.009 0.02 . 2 . . . . . 42 GLY HA3 . 53317 1 472 . 1 . 1 42 42 GLY CA C 13 44.371 0.2 . 1 . . . . . 42 GLY CA . 53317 1 473 . 1 . 1 42 42 GLY N N 15 108.507 0.2 . 1 . . . . . 42 GLY N . 53317 1 474 . 1 . 1 43 43 HIS H H 1 7.026 0.02 . 1 . . . . . 43 HIS H . 53317 1 475 . 1 . 1 43 43 HIS HA H 1 5.16 0.02 . 1 . . . . . 43 HIS HA . 53317 1 476 . 1 . 1 43 43 HIS HB2 H 1 2.042 0.02 . 2 . . . . . 43 HIS HB2 . 53317 1 477 . 1 . 1 43 43 HIS HB3 H 1 1.391 0.02 . 2 . . . . . 43 HIS HB3 . 53317 1 478 . 1 . 1 43 43 HIS HD2 H 1 4.991 0.02 . 1 . . . . . 43 HIS HD2 . 53317 1 479 . 1 . 1 43 43 HIS CA C 13 53.205 0.2 . 1 . . . . . 43 HIS CA . 53317 1 480 . 1 . 1 43 43 HIS CB C 13 34.277 0.2 . 1 . . . . . 43 HIS CB . 53317 1 481 . 1 . 1 43 43 HIS CD2 C 13 115.078 0.2 . 1 . . . . . 43 HIS CD2 . 53317 1 482 . 1 . 1 43 43 HIS N N 15 116.729 0.2 . 1 . . . . . 43 HIS N . 53317 1 483 . 1 . 1 44 44 GLY H H 1 7.375 0.02 . 1 . . . . . 44 GLY H . 53317 1 484 . 1 . 1 44 44 GLY HA2 H 1 2.905 0.02 . 2 . . . . . 44 GLY HA2 . 53317 1 485 . 1 . 1 44 44 GLY HA3 H 1 1.837 0.02 . 2 . . . . . 44 GLY HA3 . 53317 1 486 . 1 . 1 44 44 GLY CA C 13 43.667 0.2 . 1 . . . . . 44 GLY CA . 53317 1 487 . 1 . 1 44 44 GLY N N 15 105.288 0.2 . 1 . . . . . 44 GLY N . 53317 1 488 . 1 . 1 45 45 LEU H H 1 6.372 0.02 . 1 . . . . . 45 LEU H . 53317 1 489 . 1 . 1 45 45 LEU HB2 H 1 0.893 0.02 . 1 . . . . . 45 LEU HB2 . 53317 1 490 . 1 . 1 45 45 LEU HB3 H 1 0.782 0.02 . 1 . . . . . 45 LEU HB3 . 53317 1 491 . 1 . 1 45 45 LEU HG H 1 0.604 0.02 . 1 . . . . . 45 LEU HG . 53317 1 492 . 1 . 1 45 45 LEU HD11 H 1 -0.51 0.02 . 2 . . . . . 45 LEU MD1 . 53317 1 493 . 1 . 1 45 45 LEU HD12 H 1 -0.51 0.02 . 2 . . . . . 45 LEU MD1 . 53317 1 494 . 1 . 1 45 45 LEU HD13 H 1 -0.51 0.02 . 2 . . . . . 45 LEU MD1 . 53317 1 495 . 1 . 1 45 45 LEU HD21 H 1 -0.715 0.02 . 2 . . . . . 45 LEU MD2 . 53317 1 496 . 1 . 1 45 45 LEU HD22 H 1 -0.715 0.02 . 2 . . . . . 45 LEU MD2 . 53317 1 497 . 1 . 1 45 45 LEU HD23 H 1 -0.715 0.02 . 2 . . . . . 45 LEU MD2 . 53317 1 498 . 1 . 1 45 45 LEU C C 13 175.9 0.2 . 1 . . . . . 45 LEU C . 53317 1 499 . 1 . 1 45 45 LEU CA C 13 54.166 0.2 . 1 . . . . . 45 LEU CA . 53317 1 500 . 1 . 1 45 45 LEU CB C 13 44.2 0.2 . 1 . . . . . 45 LEU CB . 53317 1 501 . 1 . 1 45 45 LEU CG C 13 27.173 0.2 . 1 . . . . . 45 LEU CG . 53317 1 502 . 1 . 1 45 45 LEU CD1 C 13 24.323 0.2 . 2 . . . . . 45 LEU CD1 . 53317 1 503 . 1 . 1 45 45 LEU CD2 C 13 26.414 0.2 . 2 . . . . . 45 LEU CD2 . 53317 1 504 . 1 . 1 45 45 LEU N N 15 113.841 0.2 . 1 . . . . . 45 LEU N . 53317 1 505 . 1 . 1 46 46 VAL H H 1 8.649 0.02 . 1 . . . . . 46 VAL H . 53317 1 506 . 1 . 1 46 46 VAL HB H 1 1.874 0.02 . 1 . . . . . 46 VAL HB . 53317 1 507 . 1 . 1 46 46 VAL HG11 H 1 0.805 0.02 . 1 . . . . . 46 VAL HG1 . 53317 1 508 . 1 . 1 46 46 VAL HG12 H 1 0.805 0.02 . 1 . . . . . 46 VAL HG1 . 53317 1 509 . 1 . 1 46 46 VAL HG13 H 1 0.805 0.02 . 1 . . . . . 46 VAL HG1 . 53317 1 510 . 1 . 1 46 46 VAL HG21 H 1 0.805 0.02 . 1 . . . . . 46 VAL HG2 . 53317 1 511 . 1 . 1 46 46 VAL HG22 H 1 0.805 0.02 . 1 . . . . . 46 VAL HG2 . 53317 1 512 . 1 . 1 46 46 VAL HG23 H 1 0.805 0.02 . 1 . . . . . 46 VAL HG2 . 53317 1 513 . 1 . 1 46 46 VAL C C 13 171.908 0.2 . 1 . . . . . 46 VAL C . 53317 1 514 . 1 . 1 46 46 VAL CA C 13 57.415 0.2 . 1 . . . . . 46 VAL CA . 53317 1 515 . 1 . 1 46 46 VAL CB C 13 35.76 0.2 . 1 . . . . . 46 VAL CB . 53317 1 516 . 1 . 1 46 46 VAL CG1 C 13 20.924 0.2 . 1 . . . . . 46 VAL CG1 . 53317 1 517 . 1 . 1 46 46 VAL CG2 C 13 20.924 0.2 . 1 . . . . . 46 VAL CG2 . 53317 1 518 . 1 . 1 46 46 VAL N N 15 117.858 0.2 . 1 . . . . . 46 VAL N . 53317 1 519 . 1 . 1 47 47 PRO HA H 1 4.522 0.02 . 1 . . . . . 47 PRO HA . 53317 1 520 . 1 . 1 47 47 PRO HG2 H 1 1.923 0.02 . 2 . . . . . 47 PRO HG2 . 53317 1 521 . 1 . 1 47 47 PRO HG3 H 1 1.778 0.02 . 2 . . . . . 47 PRO HG3 . 53317 1 522 . 1 . 1 47 47 PRO HD2 H 1 3.554 0.02 . 1 . . . . . 47 PRO HD2 . 53317 1 523 . 1 . 1 47 47 PRO HD3 H 1 3.554 0.02 . 1 . . . . . 47 PRO HD3 . 53317 1 524 . 1 . 1 47 47 PRO C C 13 177.795 0.2 . 1 . . . . . 47 PRO C . 53317 1 525 . 1 . 1 47 47 PRO CA C 13 63.377 0.2 . 1 . . . . . 47 PRO CA . 53317 1 526 . 1 . 1 47 47 PRO CB C 13 31.898 0.2 . 1 . . . . . 47 PRO CB . 53317 1 527 . 1 . 1 47 47 PRO CG C 13 24.898 0.2 . 1 . . . . . 47 PRO CG . 53317 1 528 . 1 . 1 47 47 PRO CD C 13 50.238 0.2 . 1 . . . . . 47 PRO CD . 53317 1 529 . 1 . 1 48 48 GLU H H 1 8.798 0.02 . 1 . . . . . 48 GLU H . 53317 1 530 . 1 . 1 48 48 GLU HA H 1 3.584 0.02 . 1 . . . . . 48 GLU HA . 53317 1 531 . 1 . 1 48 48 GLU HB2 H 1 1.834 0.02 . 1 . . . . . 48 GLU HB2 . 53317 1 532 . 1 . 1 48 48 GLU HB3 H 1 1.834 0.02 . 1 . . . . . 48 GLU HB3 . 53317 1 533 . 1 . 1 48 48 GLU HG2 H 1 2.12 0.02 . 2 . . . . . 48 GLU HG2 . 53317 1 534 . 1 . 1 48 48 GLU HG3 H 1 1.978 0.02 . 2 . . . . . 48 GLU HG3 . 53317 1 535 . 1 . 1 48 48 GLU C C 13 178.415 0.2 . 1 . . . . . 48 GLU C . 53317 1 536 . 1 . 1 48 48 GLU CA C 13 60.449 0.2 . 1 . . . . . 48 GLU CA . 53317 1 537 . 1 . 1 48 48 GLU CB C 13 29.14 0.2 . 1 . . . . . 48 GLU CB . 53317 1 538 . 1 . 1 48 48 GLU CG C 13 35.682 0.2 . 1 . . . . . 48 GLU CG . 53317 1 539 . 1 . 1 48 48 GLU N N 15 126.647 0.2 . 1 . . . . . 48 GLU N . 53317 1 540 . 1 . 1 49 49 LYS H H 1 8.257 0.02 . 1 . . . . . 49 LYS H . 53317 1 541 . 1 . 1 49 49 LYS HA H 1 4.09 0.02 . 1 . . . . . 49 LYS HA . 53317 1 542 . 1 . 1 49 49 LYS HB2 H 1 1.829 0.02 . 2 . . . . . 49 LYS HB2 . 53317 1 543 . 1 . 1 49 49 LYS HB3 H 1 1.692 0.02 . 2 . . . . . 49 LYS HB3 . 53317 1 544 . 1 . 1 49 49 LYS HG2 H 1 1.352 0.02 . 2 . . . . . 49 LYS HG2 . 53317 1 545 . 1 . 1 49 49 LYS HG3 H 1 1.323 0.02 . 2 . . . . . 49 LYS HG3 . 53317 1 546 . 1 . 1 49 49 LYS C C 13 176.091 0.2 . 1 . . . . . 49 LYS C . 53317 1 547 . 1 . 1 49 49 LYS CA C 13 58.147 0.2 . 1 . . . . . 49 LYS CA . 53317 1 548 . 1 . 1 49 49 LYS CB C 13 31.648 0.2 . 1 . . . . . 49 LYS CB . 53317 1 549 . 1 . 1 49 49 LYS CG C 13 23.723 0.2 . 1 . . . . . 49 LYS CG . 53317 1 550 . 1 . 1 49 49 LYS CD C 13 29.498 0.2 . 1 . . . . . 49 LYS CD . 53317 1 551 . 1 . 1 49 49 LYS N N 15 114.523 0.2 . 1 . . . . . 49 LYS N . 53317 1 552 . 1 . 1 50 50 ASP H H 1 7.48 0.02 . 1 . . . . . 50 ASP H . 53317 1 553 . 1 . 1 50 50 ASP HA H 1 4.815 0.02 . 1 . . . . . 50 ASP HA . 53317 1 554 . 1 . 1 50 50 ASP HB2 H 1 2.869 0.02 . 2 . . . . . 50 ASP HB2 . 53317 1 555 . 1 . 1 50 50 ASP HB3 H 1 2.318 0.02 . 2 . . . . . 50 ASP HB3 . 53317 1 556 . 1 . 1 50 50 ASP C C 13 175.464 0.2 . 1 . . . . . 50 ASP C . 53317 1 557 . 1 . 1 50 50 ASP CA C 13 53.733 0.2 . 1 . . . . . 50 ASP CA . 53317 1 558 . 1 . 1 50 50 ASP CB C 13 42.696 0.2 . 1 . . . . . 50 ASP CB . 53317 1 559 . 1 . 1 50 50 ASP N N 15 117.119 0.2 . 1 . . . . . 50 ASP N . 53317 1 560 . 1 . 1 51 51 ALA H H 1 7.344 0.02 . 1 . . . . . 51 ALA H . 53317 1 561 . 1 . 1 51 51 ALA HA H 1 4.212 0.02 . 1 . . . . . 51 ALA HA . 53317 1 562 . 1 . 1 51 51 ALA HB1 H 1 1.183 0.02 . 1 . . . . . 51 ALA MB . 53317 1 563 . 1 . 1 51 51 ALA HB2 H 1 1.183 0.02 . 1 . . . . . 51 ALA MB . 53317 1 564 . 1 . 1 51 51 ALA HB3 H 1 1.183 0.02 . 1 . . . . . 51 ALA MB . 53317 1 565 . 1 . 1 51 51 ALA C C 13 174.058 0.2 . 1 . . . . . 51 ALA C . 53317 1 566 . 1 . 1 51 51 ALA CA C 13 50.116 0.2 . 1 . . . . . 51 ALA CA . 53317 1 567 . 1 . 1 51 51 ALA CB C 13 18.174 0.2 . 1 . . . . . 51 ALA CB . 53317 1 568 . 1 . 1 51 51 ALA N N 15 125.052 0.2 . 1 . . . . . 51 ALA N . 53317 1 569 . 1 . 1 52 52 PRO HA H 1 4.575 0.02 . 1 . . . . . 52 PRO HA . 53317 1 570 . 1 . 1 52 52 PRO HB2 H 1 2.461 0.02 . 2 . . . . . 52 PRO HB2 . 53317 1 571 . 1 . 1 52 52 PRO HB3 H 1 1.928 0.02 . 2 . . . . . 52 PRO HB3 . 53317 1 572 . 1 . 1 52 52 PRO HG2 H 1 2.128 0.02 . 2 . . . . . 52 PRO HG2 . 53317 1 573 . 1 . 1 52 52 PRO HG3 H 1 1.749 0.02 . 2 . . . . . 52 PRO HG3 . 53317 1 574 . 1 . 1 52 52 PRO HD2 H 1 4.045 0.02 . 2 . . . . . 52 PRO HD2 . 53317 1 575 . 1 . 1 52 52 PRO HD3 H 1 3.257 0.02 . 2 . . . . . 52 PRO HD3 . 53317 1 576 . 1 . 1 52 52 PRO C C 13 177.541 0.2 . 1 . . . . . 52 PRO C . 53317 1 577 . 1 . 1 52 52 PRO CA C 13 61.998 0.2 . 1 . . . . . 52 PRO CA . 53317 1 578 . 1 . 1 52 52 PRO CB C 13 31.885 0.2 . 1 . . . . . 52 PRO CB . 53317 1 579 . 1 . 1 52 52 PRO CG C 13 27.744 0.2 . 1 . . . . . 52 PRO CG . 53317 1 580 . 1 . 1 52 52 PRO CD C 13 49.689 0.2 . 1 . . . . . 52 PRO CD . 53317 1 581 . 1 . 1 53 53 LYS H H 1 8.967 0.02 . 1 . . . . . 53 LYS H . 53317 1 582 . 1 . 1 53 53 LYS HA H 1 3.746 0.02 . 1 . . . . . 53 LYS HA . 53317 1 583 . 1 . 1 53 53 LYS HB2 H 1 1.895 0.02 . 2 . . . . . 53 LYS HB2 . 53317 1 584 . 1 . 1 53 53 LYS HB3 H 1 1.716 0.02 . 2 . . . . . 53 LYS HB3 . 53317 1 585 . 1 . 1 53 53 LYS HG2 H 1 1.381 0.02 . 1 . . . . . 53 LYS HG2 . 53317 1 586 . 1 . 1 53 53 LYS HG3 H 1 1.381 0.02 . 1 . . . . . 53 LYS HG3 . 53317 1 587 . 1 . 1 53 53 LYS HE2 H 1 2.988 0.02 . 1 . . . . . 53 LYS HE2 . 53317 1 588 . 1 . 1 53 53 LYS HE3 H 1 2.988 0.02 . 1 . . . . . 53 LYS HE3 . 53317 1 589 . 1 . 1 53 53 LYS C C 13 177.565 0.2 . 1 . . . . . 53 LYS C . 53317 1 590 . 1 . 1 53 53 LYS CA C 13 59.757 0.2 . 1 . . . . . 53 LYS CA . 53317 1 591 . 1 . 1 53 53 LYS CB C 13 32.013 0.2 . 1 . . . . . 53 LYS CB . 53317 1 592 . 1 . 1 53 53 LYS CG C 13 24.335 0.2 . 1 . . . . . 53 LYS CG . 53317 1 593 . 1 . 1 53 53 LYS CD C 13 28.944 0.2 . 1 . . . . . 53 LYS CD . 53317 1 594 . 1 . 1 53 53 LYS CE C 13 42.563 0.2 . 1 . . . . . 53 LYS CE . 53317 1 595 . 1 . 1 53 53 LYS N N 15 125.691 0.2 . 1 . . . . . 53 LYS N . 53317 1 596 . 1 . 1 54 54 GLU H H 1 9.705 0.02 . 1 . . . . . 54 GLU H . 53317 1 597 . 1 . 1 54 54 GLU HA H 1 3.962 0.02 . 1 . . . . . 54 GLU HA . 53317 1 598 . 1 . 1 54 54 GLU HG2 H 1 2.523 0.02 . 2 . . . . . 54 GLU HG2 . 53317 1 599 . 1 . 1 54 54 GLU HG3 H 1 2.226 0.02 . 2 . . . . . 54 GLU HG3 . 53317 1 600 . 1 . 1 54 54 GLU C C 13 179.73 0.2 . 1 . . . . . 54 GLU C . 53317 1 601 . 1 . 1 54 54 GLU CA C 13 60.736 0.2 . 1 . . . . . 54 GLU CA . 53317 1 602 . 1 . 1 54 54 GLU CB C 13 29.165 0.2 . 1 . . . . . 54 GLU CB . 53317 1 603 . 1 . 1 54 54 GLU CG C 13 37.196 0.2 . 1 . . . . . 54 GLU CG . 53317 1 604 . 1 . 1 54 54 GLU N N 15 116.869 0.2 . 1 . . . . . 54 GLU N . 53317 1 605 . 1 . 1 55 55 LEU H H 1 7.111 0.02 . 1 . . . . . 55 LEU H . 53317 1 606 . 1 . 1 55 55 LEU HA H 1 4.144 0.02 . 1 . . . . . 55 LEU HA . 53317 1 607 . 1 . 1 55 55 LEU HB2 H 1 1.723 0.02 . 2 . . . . . 55 LEU HB2 . 53317 1 608 . 1 . 1 55 55 LEU HB3 H 1 0.908 0.02 . 2 . . . . . 55 LEU HB3 . 53317 1 609 . 1 . 1 55 55 LEU HG H 1 1.287 0.02 . 1 . . . . . 55 LEU HG . 53317 1 610 . 1 . 1 55 55 LEU HD11 H 1 0.523 0.02 . 2 . . . . . 55 LEU MD1 . 53317 1 611 . 1 . 1 55 55 LEU HD12 H 1 0.523 0.02 . 2 . . . . . 55 LEU MD1 . 53317 1 612 . 1 . 1 55 55 LEU HD13 H 1 0.523 0.02 . 2 . . . . . 55 LEU MD1 . 53317 1 613 . 1 . 1 55 55 LEU HD21 H 1 0.404 0.02 . 2 . . . . . 55 LEU MD2 . 53317 1 614 . 1 . 1 55 55 LEU HD22 H 1 0.404 0.02 . 2 . . . . . 55 LEU MD2 . 53317 1 615 . 1 . 1 55 55 LEU HD23 H 1 0.404 0.02 . 2 . . . . . 55 LEU MD2 . 53317 1 616 . 1 . 1 55 55 LEU C C 13 177.845 0.2 . 1 . . . . . 55 LEU C . 53317 1 617 . 1 . 1 55 55 LEU CA C 13 56.659 0.2 . 1 . . . . . 55 LEU CA . 53317 1 618 . 1 . 1 55 55 LEU CB C 13 42.977 0.2 . 1 . . . . . 55 LEU CB . 53317 1 619 . 1 . 1 55 55 LEU CG C 13 26.885 0.2 . 1 . . . . . 55 LEU CG . 53317 1 620 . 1 . 1 55 55 LEU CD1 C 13 24.264 0.2 . 2 . . . . . 55 LEU CD1 . 53317 1 621 . 1 . 1 55 55 LEU CD2 C 13 26.138 0.2 . 2 . . . . . 55 LEU CD2 . 53317 1 622 . 1 . 1 55 55 LEU N N 15 116.91 0.2 . 1 . . . . . 55 LEU N . 53317 1 623 . 1 . 1 56 56 LEU H H 1 7.425 0.02 . 1 . . . . . 56 LEU H . 53317 1 624 . 1 . 1 56 56 LEU HA H 1 3.91 0.02 . 1 . . . . . 56 LEU HA . 53317 1 625 . 1 . 1 56 56 LEU HB2 H 1 1.907 0.02 . 2 . . . . . 56 LEU HB2 . 53317 1 626 . 1 . 1 56 56 LEU HB3 H 1 1.444 0.02 . 2 . . . . . 56 LEU HB3 . 53317 1 627 . 1 . 1 56 56 LEU HD11 H 1 0.875 0.02 . 2 . . . . . 56 LEU MD1 . 53317 1 628 . 1 . 1 56 56 LEU HD12 H 1 0.875 0.02 . 2 . . . . . 56 LEU MD1 . 53317 1 629 . 1 . 1 56 56 LEU HD13 H 1 0.875 0.02 . 2 . . . . . 56 LEU MD1 . 53317 1 630 . 1 . 1 56 56 LEU HD21 H 1 0.708 0.02 . 2 . . . . . 56 LEU MD2 . 53317 1 631 . 1 . 1 56 56 LEU HD22 H 1 0.708 0.02 . 2 . . . . . 56 LEU MD2 . 53317 1 632 . 1 . 1 56 56 LEU HD23 H 1 0.708 0.02 . 2 . . . . . 56 LEU MD2 . 53317 1 633 . 1 . 1 56 56 LEU C C 13 180.462 0.2 . 1 . . . . . 56 LEU C . 53317 1 634 . 1 . 1 56 56 LEU CA C 13 57.58 0.2 . 1 . . . . . 56 LEU CA . 53317 1 635 . 1 . 1 56 56 LEU CB C 13 40.025 0.2 . 1 . . . . . 56 LEU CB . 53317 1 636 . 1 . 1 56 56 LEU CG C 13 26.309 0.2 . 1 . . . . . 56 LEU CG . 53317 1 637 . 1 . 1 56 56 LEU CD1 C 13 25.404 0.2 . 2 . . . . . 56 LEU CD1 . 53317 1 638 . 1 . 1 56 56 LEU CD2 C 13 22.189 0.2 . 2 . . . . . 56 LEU CD2 . 53317 1 639 . 1 . 1 56 56 LEU N N 15 119.246 0.2 . 1 . . . . . 56 LEU N . 53317 1 640 . 1 . 1 57 57 ASP H H 1 8.906 0.02 . 1 . . . . . 57 ASP H . 53317 1 641 . 1 . 1 57 57 ASP HA H 1 4.381 0.02 . 1 . . . . . 57 ASP HA . 53317 1 642 . 1 . 1 57 57 ASP HB2 H 1 2.627 0.02 . 2 . . . . . 57 ASP HB2 . 53317 1 643 . 1 . 1 57 57 ASP HB3 H 1 2.552 0.02 . 2 . . . . . 57 ASP HB3 . 53317 1 644 . 1 . 1 57 57 ASP C C 13 178.85 0.2 . 1 . . . . . 57 ASP C . 53317 1 645 . 1 . 1 57 57 ASP CA C 13 57.154 0.2 . 1 . . . . . 57 ASP CA . 53317 1 646 . 1 . 1 57 57 ASP CB C 13 40.003 0.2 . 1 . . . . . 57 ASP CB . 53317 1 647 . 1 . 1 57 57 ASP N N 15 121.781 0.2 . 1 . . . . . 57 ASP N . 53317 1 648 . 1 . 1 58 58 MET H H 1 7.388 0.02 . 1 . . . . . 58 MET H . 53317 1 649 . 1 . 1 58 58 MET HA H 1 3.917 0.02 . 1 . . . . . 58 MET HA . 53317 1 650 . 1 . 1 58 58 MET HB2 H 1 2.219 0.02 . 2 . . . . . 58 MET HB2 . 53317 1 651 . 1 . 1 58 58 MET HB3 H 1 2.067 0.02 . 2 . . . . . 58 MET HB3 . 53317 1 652 . 1 . 1 58 58 MET HG2 H 1 2.439 0.02 . 2 . . . . . 58 MET HG2 . 53317 1 653 . 1 . 1 58 58 MET HG3 H 1 2.849 0.02 . 2 . . . . . 58 MET HG3 . 53317 1 654 . 1 . 1 58 58 MET HE1 H 1 2.004 0.02 . 1 . . . . . 58 MET ME . 53317 1 655 . 1 . 1 58 58 MET HE2 H 1 2.004 0.02 . 1 . . . . . 58 MET ME . 53317 1 656 . 1 . 1 58 58 MET HE3 H 1 2.004 0.02 . 1 . . . . . 58 MET ME . 53317 1 657 . 1 . 1 58 58 MET C C 13 178.772 0.2 . 1 . . . . . 58 MET C . 53317 1 658 . 1 . 1 58 58 MET CA C 13 59.402 0.2 . 1 . . . . . 58 MET CA . 53317 1 659 . 1 . 1 58 58 MET CB C 13 33.566 0.2 . 1 . . . . . 58 MET CB . 53317 1 660 . 1 . 1 58 58 MET CG C 13 32.427 0.2 . 1 . . . . . 58 MET CG . 53317 1 661 . 1 . 1 58 58 MET CE C 13 16.93 0.2 . 1 . . . . . 58 MET CE . 53317 1 662 . 1 . 1 58 58 MET N N 15 119.715 0.2 . 1 . . . . . 58 MET N . 53317 1 663 . 1 . 1 59 59 LEU H H 1 7.875 0.02 . 1 . . . . . 59 LEU H . 53317 1 664 . 1 . 1 59 59 LEU HA H 1 3.919 0.02 . 1 . . . . . 59 LEU HA . 53317 1 665 . 1 . 1 59 59 LEU HB2 H 1 1.913 0.02 . 2 . . . . . 59 LEU HB2 . 53317 1 666 . 1 . 1 59 59 LEU HB3 H 1 1.343 0.02 . 2 . . . . . 59 LEU HB3 . 53317 1 667 . 1 . 1 59 59 LEU HD11 H 1 0.732 0.02 . 2 . . . . . 59 LEU MD1 . 53317 1 668 . 1 . 1 59 59 LEU HD12 H 1 0.732 0.02 . 2 . . . . . 59 LEU MD1 . 53317 1 669 . 1 . 1 59 59 LEU HD13 H 1 0.732 0.02 . 2 . . . . . 59 LEU MD1 . 53317 1 670 . 1 . 1 59 59 LEU HD21 H 1 0.795 0.02 . 2 . . . . . 59 LEU MD2 . 53317 1 671 . 1 . 1 59 59 LEU HD22 H 1 0.795 0.02 . 2 . . . . . 59 LEU MD2 . 53317 1 672 . 1 . 1 59 59 LEU HD23 H 1 0.795 0.02 . 2 . . . . . 59 LEU MD2 . 53317 1 673 . 1 . 1 59 59 LEU C C 13 177.091 0.2 . 1 . . . . . 59 LEU C . 53317 1 674 . 1 . 1 59 59 LEU CA C 13 57.517 0.2 . 1 . . . . . 59 LEU CA . 53317 1 675 . 1 . 1 59 59 LEU CB C 13 41.694 0.2 . 1 . . . . . 59 LEU CB . 53317 1 676 . 1 . 1 59 59 LEU CG C 13 25.803 0.2 . 1 . . . . . 59 LEU CG . 53317 1 677 . 1 . 1 59 59 LEU CD1 C 13 25.928 0.2 . 2 . . . . . 59 LEU CD1 . 53317 1 678 . 1 . 1 59 59 LEU CD2 C 13 23.721 0.2 . 2 . . . . . 59 LEU CD2 . 53317 1 679 . 1 . 1 59 59 LEU N N 15 121.698 0.2 . 1 . . . . . 59 LEU N . 53317 1 680 . 1 . 1 60 60 ALA H H 1 8.025 0.02 . 1 . . . . . 60 ALA H . 53317 1 681 . 1 . 1 60 60 ALA HA H 1 4.17 0.02 . 1 . . . . . 60 ALA HA . 53317 1 682 . 1 . 1 60 60 ALA HB1 H 1 1.478 0.02 . 1 . . . . . 60 ALA MB . 53317 1 683 . 1 . 1 60 60 ALA HB2 H 1 1.478 0.02 . 1 . . . . . 60 ALA MB . 53317 1 684 . 1 . 1 60 60 ALA HB3 H 1 1.478 0.02 . 1 . . . . . 60 ALA MB . 53317 1 685 . 1 . 1 60 60 ALA C C 13 180.367 0.2 . 1 . . . . . 60 ALA C . 53317 1 686 . 1 . 1 60 60 ALA CA C 13 54.551 0.2 . 1 . . . . . 60 ALA CA . 53317 1 687 . 1 . 1 60 60 ALA CB C 13 18.01 0.2 . 1 . . . . . 60 ALA CB . 53317 1 688 . 1 . 1 60 60 ALA N N 15 120.985 0.2 . 1 . . . . . 60 ALA N . 53317 1 689 . 1 . 1 61 61 ARG H H 1 7.709 0.02 . 1 . . . . . 61 ARG H . 53317 1 690 . 1 . 1 61 61 ARG HA H 1 4.024 0.02 . 1 . . . . . 61 ARG HA . 53317 1 691 . 1 . 1 61 61 ARG HB2 H 1 1.866 0.02 . 1 . . . . . 61 ARG HB2 . 53317 1 692 . 1 . 1 61 61 ARG HB3 H 1 1.866 0.02 . 1 . . . . . 61 ARG HB3 . 53317 1 693 . 1 . 1 61 61 ARG HG2 H 1 1.598 0.02 . 1 . . . . . 61 ARG HG2 . 53317 1 694 . 1 . 1 61 61 ARG HG3 H 1 1.598 0.02 . 1 . . . . . 61 ARG HG3 . 53317 1 695 . 1 . 1 61 61 ARG HD2 H 1 3.169 0.02 . 1 . . . . . 61 ARG HD2 . 53317 1 696 . 1 . 1 61 61 ARG HD3 H 1 3.169 0.02 . 1 . . . . . 61 ARG HD3 . 53317 1 697 . 1 . 1 61 61 ARG C C 13 178.012 0.2 . 1 . . . . . 61 ARG C . 53317 1 698 . 1 . 1 61 61 ARG CA C 13 58.86 0.2 . 1 . . . . . 61 ARG CA . 53317 1 699 . 1 . 1 61 61 ARG CB C 13 30.147 0.2 . 1 . . . . . 61 ARG CB . 53317 1 700 . 1 . 1 61 61 ARG CG C 13 27.833 0.2 . 1 . . . . . 61 ARG CG . 53317 1 701 . 1 . 1 61 61 ARG CD C 13 43.645 0.2 . 1 . . . . . 61 ARG CD . 53317 1 702 . 1 . 1 61 61 ARG N N 15 117.1 0.2 . 1 . . . . . 61 ARG N . 53317 1 703 . 1 . 1 62 62 ALA H H 1 7.899 0.02 . 1 . . . . . 62 ALA H . 53317 1 704 . 1 . 1 62 62 ALA HA H 1 4.256 0.02 . 1 . . . . . 62 ALA HA . 53317 1 705 . 1 . 1 62 62 ALA HB1 H 1 1.586 0.02 . 1 . . . . . 62 ALA MB . 53317 1 706 . 1 . 1 62 62 ALA HB2 H 1 1.586 0.02 . 1 . . . . . 62 ALA MB . 53317 1 707 . 1 . 1 62 62 ALA HB3 H 1 1.586 0.02 . 1 . . . . . 62 ALA MB . 53317 1 708 . 1 . 1 62 62 ALA C C 13 179.889 0.2 . 1 . . . . . 62 ALA C . 53317 1 709 . 1 . 1 62 62 ALA CA C 13 54.328 0.2 . 1 . . . . . 62 ALA CA . 53317 1 710 . 1 . 1 62 62 ALA CB C 13 18.692 0.2 . 1 . . . . . 62 ALA CB . 53317 1 711 . 1 . 1 62 62 ALA N N 15 122.358 0.2 . 1 . . . . . 62 ALA N . 53317 1 712 . 1 . 1 63 63 GLU H H 1 8.129 0.02 . 1 . . . . . 63 GLU H . 53317 1 713 . 1 . 1 63 63 GLU HA H 1 4.234 0.02 . 1 . . . . . 63 GLU HA . 53317 1 714 . 1 . 1 63 63 GLU HB2 H 1 2.086 0.02 . 1 . . . . . 63 GLU HB2 . 53317 1 715 . 1 . 1 63 63 GLU HB3 H 1 2.086 0.02 . 1 . . . . . 63 GLU HB3 . 53317 1 716 . 1 . 1 63 63 GLU HG2 H 1 2.28 0.02 . 2 . . . . . 63 GLU HG2 . 53317 1 717 . 1 . 1 63 63 GLU HG3 H 1 2.575 0.02 . 2 . . . . . 63 GLU HG3 . 53317 1 718 . 1 . 1 63 63 GLU C C 13 177.178 0.2 . 1 . . . . . 63 GLU C . 53317 1 719 . 1 . 1 63 63 GLU CA C 13 57.648 0.2 . 1 . . . . . 63 GLU CA . 53317 1 720 . 1 . 1 63 63 GLU CB C 13 30.024 0.2 . 1 . . . . . 63 GLU CB . 53317 1 721 . 1 . 1 63 63 GLU CG C 13 37.095 0.2 . 1 . . . . . 63 GLU CG . 53317 1 722 . 1 . 1 63 63 GLU N N 15 116.736 0.2 . 1 . . . . . 63 GLU N . 53317 1 723 . 1 . 1 64 64 ARG H H 1 7.697 0.02 . 1 . . . . . 64 ARG H . 53317 1 724 . 1 . 1 64 64 ARG HA H 1 4.326 0.02 . 1 . . . . . 64 ARG HA . 53317 1 725 . 1 . 1 64 64 ARG HB2 H 1 1.939 0.02 . 1 . . . . . 64 ARG HB2 . 53317 1 726 . 1 . 1 64 64 ARG HB3 H 1 1.939 0.02 . 1 . . . . . 64 ARG HB3 . 53317 1 727 . 1 . 1 64 64 ARG HG2 H 1 1.761 0.02 . 1 . . . . . 64 ARG HG2 . 53317 1 728 . 1 . 1 64 64 ARG HG3 H 1 1.761 0.02 . 1 . . . . . 64 ARG HG3 . 53317 1 729 . 1 . 1 64 64 ARG HD2 H 1 3.234 0.02 . 1 . . . . . 64 ARG HD2 . 53317 1 730 . 1 . 1 64 64 ARG HD3 H 1 3.234 0.02 . 1 . . . . . 64 ARG HD3 . 53317 1 731 . 1 . 1 64 64 ARG C C 13 176.568 0.2 . 1 . . . . . 64 ARG C . 53317 1 732 . 1 . 1 64 64 ARG CA C 13 56.922 0.2 . 1 . . . . . 64 ARG CA . 53317 1 733 . 1 . 1 64 64 ARG CB C 13 30.833 0.2 . 1 . . . . . 64 ARG CB . 53317 1 734 . 1 . 1 64 64 ARG CG C 13 27.292 0.2 . 1 . . . . . 64 ARG CG . 53317 1 735 . 1 . 1 64 64 ARG CD C 13 43.575 0.2 . 1 . . . . . 64 ARG CD . 53317 1 736 . 1 . 1 64 64 ARG N N 15 119.08 0.2 . 1 . . . . . 64 ARG N . 53317 1 737 . 1 . 1 65 65 GLU H H 1 8.091 0.02 . 1 . . . . . 65 GLU H . 53317 1 738 . 1 . 1 65 65 GLU HA H 1 4.309 0.02 . 1 . . . . . 65 GLU HA . 53317 1 739 . 1 . 1 65 65 GLU HB2 H 1 2.144 0.02 . 2 . . . . . 65 GLU HB2 . 53317 1 740 . 1 . 1 65 65 GLU HB3 H 1 2.004 0.02 . 2 . . . . . 65 GLU HB3 . 53317 1 741 . 1 . 1 65 65 GLU HG2 H 1 2.294 0.02 . 2 . . . . . 65 GLU HG2 . 53317 1 742 . 1 . 1 65 65 GLU HG3 H 1 2.399 0.02 . 2 . . . . . 65 GLU HG3 . 53317 1 743 . 1 . 1 65 65 GLU C C 13 175.529 0.2 . 1 . . . . . 65 GLU C . 53317 1 744 . 1 . 1 65 65 GLU CA C 13 56.839 0.2 . 1 . . . . . 65 GLU CA . 53317 1 745 . 1 . 1 65 65 GLU CB C 13 30.097 0.2 . 1 . . . . . 65 GLU CB . 53317 1 746 . 1 . 1 65 65 GLU CG C 13 36.526 0.2 . 1 . . . . . 65 GLU CG . 53317 1 747 . 1 . 1 65 65 GLU N N 15 120.817 0.2 . 1 . . . . . 65 GLU N . 53317 1 748 . 1 . 1 66 66 LYS H H 1 7.773 0.02 . 1 . . . . . 66 LYS H . 53317 1 749 . 1 . 1 66 66 LYS HA H 1 4.17 0.02 . 1 . . . . . 66 LYS HA . 53317 1 750 . 1 . 1 66 66 LYS HB2 H 1 1.783 0.02 . 2 . . . . . 66 LYS HB2 . 53317 1 751 . 1 . 1 66 66 LYS HB3 H 1 1.873 0.02 . 2 . . . . . 66 LYS HB3 . 53317 1 752 . 1 . 1 66 66 LYS HG2 H 1 1.456 0.02 . 1 . . . . . 66 LYS HG2 . 53317 1 753 . 1 . 1 66 66 LYS HG3 H 1 1.456 0.02 . 1 . . . . . 66 LYS HG3 . 53317 1 754 . 1 . 1 66 66 LYS HD2 H 1 1.73 0.02 . 1 . . . . . 66 LYS HD2 . 53317 1 755 . 1 . 1 66 66 LYS HD3 H 1 1.73 0.02 . 1 . . . . . 66 LYS HD3 . 53317 1 756 . 1 . 1 66 66 LYS HE2 H 1 3.051 0.02 . 1 . . . . . 66 LYS HE2 . 53317 1 757 . 1 . 1 66 66 LYS HE3 H 1 3.051 0.02 . 1 . . . . . 66 LYS HE3 . 53317 1 758 . 1 . 1 66 66 LYS C C 13 181.241 0.2 . 1 . . . . . 66 LYS C . 53317 1 759 . 1 . 1 66 66 LYS CA C 13 57.781 0.2 . 1 . . . . . 66 LYS CA . 53317 1 760 . 1 . 1 66 66 LYS CB C 13 33.627 0.2 . 1 . . . . . 66 LYS CB . 53317 1 761 . 1 . 1 66 66 LYS CG C 13 24.73 0.2 . 1 . . . . . 66 LYS CG . 53317 1 762 . 1 . 1 66 66 LYS CD C 13 29.283 0.2 . 1 . . . . . 66 LYS CD . 53317 1 763 . 1 . 1 66 66 LYS CE C 13 42.333 0.2 . 1 . . . . . 66 LYS CE . 53317 1 764 . 1 . 1 66 66 LYS N N 15 126.574 0.2 . 1 . . . . . 66 LYS N . 53317 1 765 . 2 . 2 1 1 FOL HD0 H 1 3.345 0.02 . 2 . . . . . 67 FOL HD0 . 53317 1 766 . 2 . 2 1 1 FOL HAE H 1 10.488 0.02 . 1 . . . . . 67 FOL HAE . 53317 1 767 . 2 . 2 1 1 FOL HAI H 1 7.112 0.02 . 1 . . . . . 67 FOL HAI . 53317 1 768 . 2 . 2 1 1 FOL HAJ H 1 7.382 0.02 . 1 . . . . . 67 FOL HAJ . 53317 1 769 . 2 . 2 1 1 FOL HAK H 1 7.739 0.02 . 1 . . . . . 67 FOL HAK . 53317 1 770 . 2 . 2 1 1 FOL HAO H 1 4.214 0.02 . 2 . . . . . 67 FOL HAO . 53317 1 771 . 2 . 2 1 1 FOL HAP H 1 4.266 0.02 . 2 . . . . . 67 FOL HAP . 53317 1 772 . 2 . 2 1 1 FOL HAV H 1 6.321 0.02 . 1 . . . . . 67 FOL HAV . 53317 1 773 . 2 . 2 1 1 FOL HAZ H 1 10.409 0.02 . 1 . . . . . 67 FOL HAZ . 53317 1 774 . 2 . 2 1 1 FOL HBD H 1 7.035 0.02 . 1 . . . . . 67 FOL HBD . 53317 1 775 . 2 . 2 1 1 FOL HBE H 1 7.377 0.02 . 1 . . . . . 67 FOL HBE . 53317 1 776 . 2 . 2 1 1 FOL HBF H 1 7.917 0.02 . 1 . . . . . 67 FOL HBF . 53317 1 777 . 2 . 2 1 1 FOL HBJ H 1 4.122 0.02 . 2 . . . . . 67 FOL HBJ . 53317 1 778 . 2 . 2 1 1 FOL HBK H 1 3.949 0.02 . 2 . . . . . 67 FOL HBK . 53317 1 779 . 2 . 2 1 1 FOL HBL H 1 2.306 0.02 . 1 . . . . . 67 FOL HBL . 53317 1 780 . 2 . 2 1 1 FOL HBM H 1 1.245 0.02 . 1 . . . . . 67 FOL HBM . 53317 1 781 . 2 . 2 1 1 FOL HBN H 1 1.245 0.02 . 1 . . . . . 67 FOL HBN . 53317 1 782 . 2 . 2 1 1 FOL HBO H 1 1.245 0.02 . 1 . . . . . 67 FOL HBO . 53317 1 783 . 2 . 2 1 1 FOL HBP H 1 1.245 0.02 . 1 . . . . . 67 FOL HBP . 53317 1 784 . 2 . 2 1 1 FOL HBQ H 1 1.245 0.02 . 1 . . . . . 67 FOL HBQ . 53317 1 785 . 2 . 2 1 1 FOL HBR H 1 1.245 0.02 . 1 . . . . . 67 FOL HBR . 53317 1 786 . 2 . 2 1 1 FOL HBS H 1 5.891 0.02 . 1 . . . . . 67 FOL HBS . 53317 1 787 . 2 . 2 1 1 FOL HBV H 1 7.217 0.02 . 1 . . . . . 67 FOL HBV . 53317 1 788 . 2 . 2 1 1 FOL HBW H 1 7.448 0.02 . 1 . . . . . 67 FOL HBW . 53317 1 789 . 2 . 2 1 1 FOL HBX H 1 7.728 0.02 . 1 . . . . . 67 FOL HBX . 53317 1 790 . 2 . 2 1 1 FOL HCA H 1 4.404 0.02 . 2 . . . . . 67 FOL HCA . 53317 1 791 . 2 . 2 1 1 FOL HCB H 1 4.446 0.02 . 2 . . . . . 67 FOL HCB . 53317 1 792 . 2 . 2 1 1 FOL HCC H 1 6.586 0.02 . 1 . . . . . 67 FOL HCC . 53317 1 793 . 2 . 2 1 1 FOL HCG H 1 10.209 0.02 . 1 . . . . . 67 FOL HCG . 53317 1 794 . 2 . 2 1 1 FOL HCI H 1 6.825 0.02 . 1 . . . . . 67 FOL HCI . 53317 1 795 . 2 . 2 1 1 FOL HCJ H 1 6.838 0.02 . 1 . . . . . 67 FOL HCJ . 53317 1 796 . 2 . 2 1 1 FOL HCK H 1 7.58 0.02 . 1 . . . . . 67 FOL HCK . 53317 1 797 . 2 . 2 1 1 FOL HCR H 1 6.617 0.02 . 1 . . . . . 67 FOL HCR . 53317 1 798 . 2 . 2 1 1 FOL HCT H 1 4.449 0.02 . 2 . . . . . 67 FOL HCT . 53317 1 799 . 2 . 2 1 1 FOL HCY H 1 4.332 0.02 . 2 . . . . . 67 FOL HCY . 53317 1 800 . 2 . 2 1 1 FOL HCZ H 1 4.135 0.02 . 2 . . . . . 67 FOL HCZ . 53317 1 801 . 2 . 2 1 1 FOL HDB H 1 6.371 0.02 . 1 . . . . . 67 FOL HDB . 53317 1 802 . 2 . 2 1 1 FOL HDJ H 1 6.685 0.02 . 1 . . . . . 67 FOL HDJ . 53317 1 803 . 2 . 2 1 1 FOL HDK H 1 6.927 0.02 . 1 . . . . . 67 FOL HDK . 53317 1 804 . 2 . 2 1 1 FOL HDL H 1 8.03 0.02 . 1 . . . . . 67 FOL HDL . 53317 1 805 . 2 . 2 1 1 FOL HDN H 1 10.867 0.02 . 1 . . . . . 67 FOL HDN . 53317 1 806 . 2 . 2 1 1 FOL HDR H 1 5.781 0.02 . 1 . . . . . 67 FOL HDR . 53317 1 807 . 2 . 2 1 1 FOL HDU H 1 2.207 0.02 . 1 . . . . . 67 FOL HDU . 53317 1 808 . 2 . 2 1 1 FOL HDV H 1 2.207 0.02 . 1 . . . . . 67 FOL HDV . 53317 1 809 . 2 . 2 1 1 FOL HDW H 1 1.821 0.02 . 1 . . . . . 67 FOL HDW . 53317 1 810 . 2 . 2 1 1 FOL HDX H 1 3.479 0.02 . 2 . . . . . 67 FOL HDX . 53317 1 811 . 2 . 2 1 1 FOL HDY H 1 3.366 0.02 . 2 . . . . . 67 FOL HDY . 53317 1 812 . 2 . 2 1 1 FOL HDZ H 1 3.206 0.02 . 2 . . . . . 67 FOL HDZ . 53317 1 813 . 2 . 2 1 1 FOL HED H 1 7.546 0.02 . 1 . . . . . 67 FOL HED . 53317 1 814 . 2 . 2 1 1 FOL HEE H 1 7.423 0.02 . 1 . . . . . 67 FOL HEE . 53317 1 815 . 2 . 2 1 1 FOL HEF H 1 7.965 0.02 . 1 . . . . . 67 FOL HEF . 53317 1 816 . 2 . 2 1 1 FOL HEH H 1 11.025 0.02 . 1 . . . . . 67 FOL HEH . 53317 1 817 . 2 . 2 1 1 FOL HEL H 1 6.05 0.02 . 1 . . . . . 67 FOL HEL . 53317 1 818 . 2 . 2 1 1 FOL HER H 1 7.608 0.02 . 1 . . . . . 67 FOL HER . 53317 1 819 . 2 . 2 1 1 FOL HES H 1 6.93 0.02 . 1 . . . . . 67 FOL HES . 53317 1 820 . 2 . 2 1 1 FOL HET H 1 6.85 0.02 . 1 . . . . . 67 FOL HET . 53317 1 821 . 2 . 2 1 1 FOL HEV H 1 10.385 0.02 . 1 . . . . . 67 FOL HEV . 53317 1 822 . 2 . 2 1 1 FOL HEZ H 1 5.994 0.02 . 1 . . . . . 67 FOL HEZ . 53317 1 823 . 2 . 2 1 1 FOL HFC H 1 4.201 0.02 . 1 . . . . . 67 FOL HFC . 53317 1 824 . 2 . 2 1 1 FOL HFD H 1 4.201 0.02 . 1 . . . . . 67 FOL HFD . 53317 1 825 . 2 . 2 1 1 FOL HFE H 1 2.307 0.02 . 2 . . . . . 67 FOL HFE . 53317 1 826 . 2 . 2 1 1 FOL HFF H 1 2.45 0.02 . 2 . . . . . 67 FOL HFF . 53317 1 827 . 2 . 2 1 1 FOL HFG H 1 3.138 0.02 . 1 . . . . . 67 FOL HFG . 53317 1 828 . 2 . 2 1 1 FOL HFH H 1 3.138 0.02 . 1 . . . . . 67 FOL HFH . 53317 1 829 . 2 . 2 1 1 FOL HFJ H 1 7.757 0.02 . 1 . . . . . 67 FOL HFJ . 53317 1 830 . 2 . 2 1 1 FOL HFK H 1 7.124 0.02 . 1 . . . . . 67 FOL HFK . 53317 1 831 . 2 . 2 1 1 FOL HFL H 1 6.768 0.02 . 1 . . . . . 67 FOL HFL . 53317 1 832 . 2 . 2 1 1 FOL HFN H 1 10.542 0.02 . 1 . . . . . 67 FOL HFN . 53317 1 833 . 2 . 2 1 1 FOL HFR H 1 5.934 0.02 . 1 . . . . . 67 FOL HFR . 53317 1 834 . 2 . 2 1 1 FOL HFV H 1 10.368 0.02 . 1 . . . . . 67 FOL HFV . 53317 1 835 . 2 . 2 1 1 FOL HFW H 1 6.973 0.02 . 1 . . . . . 67 FOL HFW . 53317 1 836 . 2 . 2 1 1 FOL HFX H 1 7.256 0.02 . 1 . . . . . 67 FOL HFX . 53317 1 837 . 2 . 2 1 1 FOL HFY H 1 7.873 0.02 . 1 . . . . . 67 FOL HFY . 53317 1 838 . 2 . 2 1 1 FOL HGC H 1 4.594 0.02 . 1 . . . . . 67 FOL HGC . 53317 1 839 . 2 . 2 1 1 FOL HGD H 1 4.594 0.02 . 1 . . . . . 67 FOL HGD . 53317 1 840 . 2 . 2 1 1 FOL HGO H 1 10.304 0.02 . 1 . . . . . 67 FOL HGO . 53317 1 841 . 2 . 2 1 1 FOL HQT H 1 4.544 0.02 . 2 . . . . . 67 FOL HQT . 53317 1 842 . 2 . 2 1 1 FOL HXA H 1 1.769 0.02 . 2 . . . . . 67 FOL HXA . 53317 1 843 . 2 . 2 1 1 FOL HXB H 1 1.317 0.02 . 2 . . . . . 67 FOL HXB . 53317 1 844 . 2 . 2 1 1 FOL HXC H 1 0.981 0.02 . 2 . . . . . 67 FOL HXC . 53317 1 845 . 2 . 2 1 1 FOL HXD H 1 1.577 0.02 . 2 . . . . . 67 FOL HXD . 53317 1 846 . 2 . 2 1 1 FOL HXE H 1 -0.172 0.02 . 1 . . . . . 67 FOL HXE . 53317 1 847 . 2 . 2 1 1 FOL HXF H 1 -0.172 0.02 . 1 . . . . . 67 FOL HXF . 53317 1 848 . 2 . 2 1 1 FOL HXG H 1 -0.172 0.02 . 1 . . . . . 67 FOL HXG . 53317 1 849 . 2 . 2 1 1 FOL HXH H 1 0.428 0.02 . 1 . . . . . 67 FOL HXH . 53317 1 850 . 2 . 2 1 1 FOL HXI H 1 0.428 0.02 . 1 . . . . . 67 FOL HXI . 53317 1 851 . 2 . 2 1 1 FOL HXJ H 1 0.428 0.02 . 1 . . . . . 67 FOL HXJ . 53317 1 852 . 2 . 2 1 1 FOL HXK H 1 0.392 0.02 . 1 . . . . . 67 FOL HXK . 53317 1 853 . 2 . 2 1 1 FOL HXL H 1 0.392 0.02 . 1 . . . . . 67 FOL HXL . 53317 1 854 . 2 . 2 1 1 FOL HXM H 1 0.392 0.02 . 1 . . . . . 67 FOL HXM . 53317 1 855 . 2 . 2 1 1 FOL HXN H 1 9.194 0.02 . 1 . . . . . 67 FOL HXN . 53317 1 856 . 2 . 2 1 1 FOL HXR H 1 7.414 0.02 . 1 . . . . . 67 FOL HXR . 53317 1 857 . 2 . 2 1 1 FOL HXS H 1 7.384 0.02 . 1 . . . . . 67 FOL HXS . 53317 1 858 . 2 . 2 1 1 FOL HXT H 1 8.112 0.02 . 1 . . . . . 67 FOL HXT . 53317 1 859 . 2 . 2 1 1 FOL HYE H 1 10.743 0.02 . 1 . . . . . 67 FOL HYE . 53317 1 860 . 2 . 2 1 1 FOL HYR H 1 7.8 0.02 . 1 . . . . . 67 FOL HYR . 53317 1 861 . 2 . 2 1 1 FOL HYV H 1 10.847 0.02 . 1 . . . . . 67 FOL HYV . 53317 1 862 . 2 . 2 1 1 FOL HYZ H 1 7.643 0.02 . 1 . . . . . 67 FOL HYZ . 53317 1 863 . 2 . 2 1 1 FOL HZA H 1 7.272 0.02 . 1 . . . . . 67 FOL HZA . 53317 1 864 . 2 . 2 1 1 FOL HZB H 1 7.76 0.02 . 1 . . . . . 67 FOL HZB . 53317 1 865 . 2 . 2 1 1 FOL HZF H 1 4.204 0.02 . 2 . . . . . 67 FOL HZF . 53317 1 866 . 2 . 2 1 1 FOL HZG H 1 4.086 0.02 . 2 . . . . . 67 FOL HZG . 53317 1 867 . 2 . 2 1 1 FOL HZH H 1 2.448 0.02 . 1 . . . . . 67 FOL HZH . 53317 1 868 . 2 . 2 1 1 FOL HZI H 1 3.976 0.02 . 1 . . . . . 67 FOL HZI . 53317 1 869 . 2 . 2 1 1 FOL HZJ H 1 3.976 0.02 . 1 . . . . . 67 FOL HZJ . 53317 1 870 . 2 . 2 1 1 FOL HZK H 1 3.976 0.02 . 1 . . . . . 67 FOL HZK . 53317 1 871 . 2 . 2 1 1 FOL HZL H 1 3.976 0.02 . 1 . . . . . 67 FOL HZL . 53317 1 872 . 2 . 2 1 1 FOL HZM H 1 5.899 0.02 . 1 . . . . . 67 FOL HZM . 53317 1 stop_ save_