################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 15344 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 15344 1 4 '3D HNCA' . . . 15344 1 5 '3D HNCO' . . . 15344 1 6 '3D HNCACB' . . . 15344 1 9 '3D HCCH-TOCSY' . . . 15344 1 10 '3D HCCH-COSY' . . . 15344 1 10 '3D HCCH-COSY' . . . 15344 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 3 $SPARKY . . 15344 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.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 2 2 TYR HA H 1 4.593 0.020 . 1 . . . . . 2 TYR HA . 15344 1 2 . 1 1 2 2 TYR HB2 H 1 2.964 0.020 . 2 . . . . . 2 TYR HB2 . 15344 1 3 . 1 1 2 2 TYR HB3 H 1 2.964 0.020 . 2 . . . . . 2 TYR HB3 . 15344 1 4 . 1 1 2 2 TYR HD1 H 1 7.074 0.020 . 1 . . . . . 2 TYR HD1 . 15344 1 5 . 1 1 2 2 TYR HD2 H 1 7.091 0.020 . 1 . . . . . 2 TYR HD2 . 15344 1 6 . 1 1 2 2 TYR HE1 H 1 6.965 0.020 . 1 . . . . . 2 TYR HE1 . 15344 1 7 . 1 1 2 2 TYR HE2 H 1 6.965 0.020 . 1 . . . . . 2 TYR HE2 . 15344 1 8 . 1 1 2 2 TYR C C 13 174.805 0.400 . 1 . . . . . 2 TYR C . 15344 1 9 . 1 1 2 2 TYR CA C 13 57.884 0.400 . 1 . . . . . 2 TYR CA . 15344 1 10 . 1 1 2 2 TYR CB C 13 38.790 0.400 . 1 . . . . . 2 TYR CB . 15344 1 11 . 1 1 2 2 TYR CD1 C 13 133.170 0.400 . 1 . . . . . 2 TYR CD1 . 15344 1 12 . 1 1 2 2 TYR CD2 C 13 133.170 0.400 . 1 . . . . . 2 TYR CD2 . 15344 1 13 . 1 1 2 2 TYR CE1 C 13 119.615 0.400 . 1 . . . . . 2 TYR CE1 . 15344 1 14 . 1 1 2 2 TYR CE2 C 13 119.661 0.400 . 1 . . . . . 2 TYR CE2 . 15344 1 15 . 1 1 3 3 LEU H H 1 8.189 0.020 . 1 . . . . . 3 LEU H . 15344 1 16 . 1 1 3 3 LEU HA H 1 4.268 0.020 . 1 . . . . . 3 LEU HA . 15344 1 17 . 1 1 3 3 LEU HB2 H 1 1.482 0.020 . 2 . . . . . 3 LEU HB2 . 15344 1 18 . 1 1 3 3 LEU HB3 H 1 1.472 0.020 . 2 . . . . . 3 LEU HB3 . 15344 1 19 . 1 1 3 3 LEU HD11 H 1 0.867 0.020 . 2 . . . . . 3 LEU HD1 . 15344 1 20 . 1 1 3 3 LEU HD12 H 1 0.867 0.020 . 2 . . . . . 3 LEU HD1 . 15344 1 21 . 1 1 3 3 LEU HD13 H 1 0.867 0.020 . 2 . . . . . 3 LEU HD1 . 15344 1 22 . 1 1 3 3 LEU HD21 H 1 0.818 0.020 . 2 . . . . . 3 LEU HD2 . 15344 1 23 . 1 1 3 3 LEU HD22 H 1 0.818 0.020 . 2 . . . . . 3 LEU HD2 . 15344 1 24 . 1 1 3 3 LEU HD23 H 1 0.818 0.020 . 2 . . . . . 3 LEU HD2 . 15344 1 25 . 1 1 3 3 LEU C C 13 176.110 0.400 . 1 . . . . . 3 LEU C . 15344 1 26 . 1 1 3 3 LEU CA C 13 54.574 0.400 . 1 . . . . . 3 LEU CA . 15344 1 27 . 1 1 3 3 LEU CB C 13 42.796 0.400 . 1 . . . . . 3 LEU CB . 15344 1 28 . 1 1 3 3 LEU CD1 C 13 24.870 0.400 . 1 . . . . . 3 LEU CD1 . 15344 1 29 . 1 1 3 3 LEU CD2 C 13 23.790 0.400 . 1 . . . . . 3 LEU CD2 . 15344 1 30 . 1 1 3 3 LEU N N 15 126.201 0.400 . 1 . . . . . 3 LEU N . 15344 1 31 . 1 1 4 4 LYS H H 1 8.132 0.020 . 1 . . . . . 4 LYS H . 15344 1 32 . 1 1 4 4 LYS HA H 1 4.336 0.020 . 1 . . . . . 4 LYS HA . 15344 1 33 . 1 1 4 4 LYS HB2 H 1 1.756 0.020 . 2 . . . . . 4 LYS HB2 . 15344 1 34 . 1 1 4 4 LYS HB3 H 1 1.756 0.020 . 2 . . . . . 4 LYS HB3 . 15344 1 35 . 1 1 4 4 LYS C C 13 175.828 0.400 . 1 . . . . . 4 LYS C . 15344 1 36 . 1 1 4 4 LYS CA C 13 56.186 0.400 . 1 . . . . . 4 LYS CA . 15344 1 37 . 1 1 4 4 LYS CB C 13 33.084 0.400 . 1 . . . . . 4 LYS CB . 15344 1 38 . 1 1 4 4 LYS N N 15 123.332 0.400 . 1 . . . . . 4 LYS N . 15344 1 39 . 1 1 5 5 ARG H H 1 8.537 0.020 . 1 . . . . . 5 ARG H . 15344 1 40 . 1 1 5 5 ARG HA H 1 4.327 0.020 . 1 . . . . . 5 ARG HA . 15344 1 41 . 1 1 5 5 ARG HB2 H 1 1.798 0.020 . 2 . . . . . 5 ARG HB2 . 15344 1 42 . 1 1 5 5 ARG HB3 H 1 1.741 0.020 . 2 . . . . . 5 ARG HB3 . 15344 1 43 . 1 1 5 5 ARG HD2 H 1 3.156 0.020 . 2 . . . . . 5 ARG HD2 . 15344 1 44 . 1 1 5 5 ARG HD3 H 1 3.156 0.020 . 2 . . . . . 5 ARG HD3 . 15344 1 45 . 1 1 5 5 ARG HG2 H 1 1.619 0.020 . 2 . . . . . 5 ARG HG2 . 15344 1 46 . 1 1 5 5 ARG HG3 H 1 1.550 0.020 . 2 . . . . . 5 ARG HG3 . 15344 1 47 . 1 1 5 5 ARG C C 13 176.158 0.400 . 1 . . . . . 5 ARG C . 15344 1 48 . 1 1 5 5 ARG CA C 13 56.076 0.400 . 1 . . . . . 5 ARG CA . 15344 1 49 . 1 1 5 5 ARG CB C 13 31.028 0.400 . 1 . . . . . 5 ARG CB . 15344 1 50 . 1 1 5 5 ARG CD C 13 43.356 0.400 . 1 . . . . . 5 ARG CD . 15344 1 51 . 1 1 5 5 ARG CG C 13 27.124 0.400 . 1 . . . . . 5 ARG CG . 15344 1 52 . 1 1 5 5 ARG N N 15 124.828 0.400 . 1 . . . . . 5 ARG N . 15344 1 53 . 1 1 6 6 VAL H H 1 8.344 0.020 . 1 . . . . . 6 VAL H . 15344 1 54 . 1 1 6 6 VAL HA H 1 4.154 0.020 . 1 . . . . . 6 VAL HA . 15344 1 55 . 1 1 6 6 VAL HB H 1 2.076 0.020 . 1 . . . . . 6 VAL HB . 15344 1 56 . 1 1 6 6 VAL HG11 H 1 0.913 0.020 . 2 . . . . . 6 VAL HG1 . 15344 1 57 . 1 1 6 6 VAL HG12 H 1 0.913 0.020 . 2 . . . . . 6 VAL HG1 . 15344 1 58 . 1 1 6 6 VAL HG13 H 1 0.913 0.020 . 2 . . . . . 6 VAL HG1 . 15344 1 59 . 1 1 6 6 VAL HG21 H 1 0.913 0.020 . 2 . . . . . 6 VAL HG2 . 15344 1 60 . 1 1 6 6 VAL HG22 H 1 0.913 0.020 . 2 . . . . . 6 VAL HG2 . 15344 1 61 . 1 1 6 6 VAL HG23 H 1 0.913 0.020 . 2 . . . . . 6 VAL HG2 . 15344 1 62 . 1 1 6 6 VAL C C 13 175.662 0.400 . 1 . . . . . 6 VAL C . 15344 1 63 . 1 1 6 6 VAL CA C 13 61.973 0.400 . 1 . . . . . 6 VAL CA . 15344 1 64 . 1 1 6 6 VAL CB C 13 32.937 0.400 . 1 . . . . . 6 VAL CB . 15344 1 65 . 1 1 6 6 VAL CG2 C 13 21.249 0.400 . 1 . . . . . 6 VAL CG2 . 15344 1 66 . 1 1 6 6 VAL N N 15 122.153 0.400 . 1 . . . . . 6 VAL N . 15344 1 67 . 1 1 7 7 ASP H H 1 8.469 0.020 . 1 . . . . . 7 ASP H . 15344 1 68 . 1 1 7 7 ASP HA H 1 4.681 0.020 . 1 . . . . . 7 ASP HA . 15344 1 69 . 1 1 7 7 ASP HB2 H 1 2.694 0.020 . 2 . . . . . 7 ASP HB2 . 15344 1 70 . 1 1 7 7 ASP HB3 H 1 2.596 0.020 . 2 . . . . . 7 ASP HB3 . 15344 1 71 . 1 1 7 7 ASP C C 13 176.217 0.400 . 1 . . . . . 7 ASP C . 15344 1 72 . 1 1 7 7 ASP CA C 13 54.202 0.400 . 1 . . . . . 7 ASP CA . 15344 1 73 . 1 1 7 7 ASP CB C 13 41.583 0.400 . 1 . . . . . 7 ASP CB . 15344 1 74 . 1 1 7 7 ASP N N 15 124.555 0.400 . 1 . . . . . 7 ASP N . 15344 1 75 . 1 1 8 8 GLY H H 1 8.185 0.020 . 1 . . . . . 8 GLY H . 15344 1 76 . 1 1 8 8 GLY HA2 H 1 4.184 0.020 . 2 . . . . . 8 GLY HA2 . 15344 1 77 . 1 1 8 8 GLY HA3 H 1 4.070 0.020 . 2 . . . . . 8 GLY HA3 . 15344 1 78 . 1 1 8 8 GLY C C 13 171.436 0.400 . 1 . . . . . 8 GLY C . 15344 1 79 . 1 1 8 8 GLY CA C 13 44.634 0.400 . 1 . . . . . 8 GLY CA . 15344 1 80 . 1 1 8 8 GLY N N 15 109.085 0.400 . 1 . . . . . 8 GLY N . 15344 1 81 . 1 1 9 9 PRO HA H 1 4.510 0.020 . 1 . . . . . 9 PRO HA . 15344 1 82 . 1 1 9 9 PRO HB2 H 1 2.331 0.020 . 2 . . . . . 9 PRO HB2 . 15344 1 83 . 1 1 9 9 PRO HB3 H 1 1.978 0.020 . 2 . . . . . 9 PRO HB3 . 15344 1 84 . 1 1 9 9 PRO HD2 H 1 3.736 0.020 . 2 . . . . . 9 PRO HD2 . 15344 1 85 . 1 1 9 9 PRO HD3 H 1 3.629 0.020 . 2 . . . . . 9 PRO HD3 . 15344 1 86 . 1 1 9 9 PRO HG2 H 1 2.069 0.020 . 2 . . . . . 9 PRO HG2 . 15344 1 87 . 1 1 9 9 PRO HG3 H 1 2.010 0.020 . 2 . . . . . 9 PRO HG3 . 15344 1 88 . 1 1 9 9 PRO C C 13 176.784 0.400 . 1 . . . . . 9 PRO C . 15344 1 89 . 1 1 9 9 PRO CA C 13 62.869 0.400 . 1 . . . . . 9 PRO CA . 15344 1 90 . 1 1 9 9 PRO CB C 13 32.364 0.400 . 1 . . . . . 9 PRO CB . 15344 1 91 . 1 1 9 9 PRO CD C 13 49.720 0.400 . 1 . . . . . 9 PRO CD . 15344 1 92 . 1 1 9 9 PRO CG C 13 27.515 0.400 . 1 . . . . . 9 PRO CG . 15344 1 93 . 1 1 10 10 ARG H H 1 8.761 0.020 . 1 . . . . . 10 ARG H . 15344 1 94 . 1 1 10 10 ARG HA H 1 4.165 0.020 . 1 . . . . . 10 ARG HA . 15344 1 95 . 1 1 10 10 ARG HB2 H 1 1.901 0.020 . 2 . . . . . 10 ARG HB2 . 15344 1 96 . 1 1 10 10 ARG HB3 H 1 1.842 0.020 . 2 . . . . . 10 ARG HB3 . 15344 1 97 . 1 1 10 10 ARG HG2 H 1 1.778 0.020 . 2 . . . . . 10 ARG HG2 . 15344 1 98 . 1 1 10 10 ARG HG3 H 1 1.778 0.020 . 2 . . . . . 10 ARG HG3 . 15344 1 99 . 1 1 10 10 ARG C C 13 175.911 0.400 . 1 . . . . . 10 ARG C . 15344 1 100 . 1 1 10 10 ARG CA C 13 57.463 0.400 . 1 . . . . . 10 ARG CA . 15344 1 101 . 1 1 10 10 ARG CB C 13 31.030 0.400 . 1 . . . . . 10 ARG CB . 15344 1 102 . 1 1 10 10 ARG CG C 13 27.597 0.400 . 1 . . . . . 10 ARG CG . 15344 1 103 . 1 1 10 10 ARG N N 15 120.390 0.400 . 1 . . . . . 10 ARG N . 15344 1 104 . 1 1 11 11 GLN H H 1 7.790 0.020 . 1 . . . . . 11 GLN H . 15344 1 105 . 1 1 11 11 GLN HA H 1 5.173 0.020 . 1 . . . . . 11 GLN HA . 15344 1 106 . 1 1 11 11 GLN HB2 H 1 2.093 0.020 . 2 . . . . . 11 GLN HB2 . 15344 1 107 . 1 1 11 11 GLN HB3 H 1 1.768 0.020 . 2 . . . . . 11 GLN HB3 . 15344 1 108 . 1 1 11 11 GLN HE21 H 1 7.470 0.020 . 2 . . . . . 11 GLN HE21 . 15344 1 109 . 1 1 11 11 GLN HE22 H 1 6.840 0.020 . 2 . . . . . 11 GLN HE22 . 15344 1 110 . 1 1 11 11 GLN HG2 H 1 2.154 0.020 . 2 . . . . . 11 GLN HG2 . 15344 1 111 . 1 1 11 11 GLN HG3 H 1 2.077 0.020 . 2 . . . . . 11 GLN HG3 . 15344 1 112 . 1 1 11 11 GLN C C 13 173.893 0.400 . 1 . . . . . 11 GLN C . 15344 1 113 . 1 1 11 11 GLN CA C 13 54.402 0.400 . 1 . . . . . 11 GLN CA . 15344 1 114 . 1 1 11 11 GLN CB C 13 31.366 0.400 . 1 . . . . . 11 GLN CB . 15344 1 115 . 1 1 11 11 GLN CG C 13 32.647 0.400 . 1 . . . . . 11 GLN CG . 15344 1 116 . 1 1 11 11 GLN N N 15 114.694 0.400 . 1 . . . . . 11 GLN N . 15344 1 117 . 1 1 11 11 GLN NE2 N 15 112.490 0.400 . 1 . . . . . 11 GLN NE2 . 15344 1 118 . 1 1 12 12 VAL H H 1 8.803 0.020 . 1 . . . . . 12 VAL H . 15344 1 119 . 1 1 12 12 VAL HA H 1 4.625 0.020 . 1 . . . . . 12 VAL HA . 15344 1 120 . 1 1 12 12 VAL HB H 1 2.103 0.020 . 1 . . . . . 12 VAL HB . 15344 1 121 . 1 1 12 12 VAL HG11 H 1 0.875 0.020 . 2 . . . . . 12 VAL HG1 . 15344 1 122 . 1 1 12 12 VAL HG12 H 1 0.875 0.020 . 2 . . . . . 12 VAL HG1 . 15344 1 123 . 1 1 12 12 VAL HG13 H 1 0.875 0.020 . 2 . . . . . 12 VAL HG1 . 15344 1 124 . 1 1 12 12 VAL HG21 H 1 0.815 0.020 . 2 . . . . . 12 VAL HG2 . 15344 1 125 . 1 1 12 12 VAL HG22 H 1 0.815 0.020 . 2 . . . . . 12 VAL HG2 . 15344 1 126 . 1 1 12 12 VAL HG23 H 1 0.815 0.020 . 2 . . . . . 12 VAL HG2 . 15344 1 127 . 1 1 12 12 VAL C C 13 173.796 0.400 . 1 . . . . . 12 VAL C . 15344 1 128 . 1 1 12 12 VAL CA C 13 60.127 0.400 . 1 . . . . . 12 VAL CA . 15344 1 129 . 1 1 12 12 VAL CB C 13 35.590 0.400 . 1 . . . . . 12 VAL CB . 15344 1 130 . 1 1 12 12 VAL CG1 C 13 21.489 0.400 . 1 . . . . . 12 VAL CG1 . 15344 1 131 . 1 1 12 12 VAL CG2 C 13 19.777 0.400 . 1 . . . . . 12 VAL CG2 . 15344 1 132 . 1 1 12 12 VAL N N 15 115.575 0.400 . 1 . . . . . 12 VAL N . 15344 1 133 . 1 1 13 13 THR H H 1 8.553 0.020 . 1 . . . . . 13 THR H . 15344 1 134 . 1 1 13 13 THR HA H 1 4.772 0.020 . 1 . . . . . 13 THR HA . 15344 1 135 . 1 1 13 13 THR HB H 1 3.922 0.020 . 1 . . . . . 13 THR HB . 15344 1 136 . 1 1 13 13 THR HG21 H 1 1.168 0.020 . 1 . . . . . 13 THR HG2 . 15344 1 137 . 1 1 13 13 THR HG22 H 1 1.168 0.020 . 1 . . . . . 13 THR HG2 . 15344 1 138 . 1 1 13 13 THR HG23 H 1 1.168 0.020 . 1 . . . . . 13 THR HG2 . 15344 1 139 . 1 1 13 13 THR C C 13 174.526 0.400 . 1 . . . . . 13 THR C . 15344 1 140 . 1 1 13 13 THR CA C 13 61.880 0.400 . 1 . . . . . 13 THR CA . 15344 1 141 . 1 1 13 13 THR CB C 13 69.319 0.400 . 1 . . . . . 13 THR CB . 15344 1 142 . 1 1 13 13 THR CG2 C 13 21.600 0.400 . 1 . . . . . 13 THR CG2 . 15344 1 143 . 1 1 13 13 THR N N 15 119.282 0.400 . 1 . . . . . 13 THR N . 15344 1 144 . 1 1 14 14 LEU H H 1 9.254 0.020 . 1 . . . . . 14 LEU H . 15344 1 145 . 1 1 14 14 LEU HA H 1 4.210 0.020 . 1 . . . . . 14 LEU HA . 15344 1 146 . 1 1 14 14 LEU HB2 H 1 1.791 0.020 . 2 . . . . . 14 LEU HB2 . 15344 1 147 . 1 1 14 14 LEU HB3 H 1 1.446 0.020 . 2 . . . . . 14 LEU HB3 . 15344 1 148 . 1 1 14 14 LEU HD11 H 1 0.652 0.020 . 2 . . . . . 14 LEU HD1 . 15344 1 149 . 1 1 14 14 LEU HD12 H 1 0.652 0.020 . 2 . . . . . 14 LEU HD1 . 15344 1 150 . 1 1 14 14 LEU HD13 H 1 0.652 0.020 . 2 . . . . . 14 LEU HD1 . 15344 1 151 . 1 1 14 14 LEU HD21 H 1 0.446 0.020 . 2 . . . . . 14 LEU HD2 . 15344 1 152 . 1 1 14 14 LEU HD22 H 1 0.446 0.020 . 2 . . . . . 14 LEU HD2 . 15344 1 153 . 1 1 14 14 LEU HD23 H 1 0.446 0.020 . 2 . . . . . 14 LEU HD2 . 15344 1 154 . 1 1 14 14 LEU HG H 1 1.260 0.020 . 1 . . . . . 14 LEU HG . 15344 1 155 . 1 1 14 14 LEU C C 13 177.361 0.400 . 1 . . . . . 14 LEU C . 15344 1 156 . 1 1 14 14 LEU CA C 13 54.116 0.400 . 1 . . . . . 14 LEU CA . 15344 1 157 . 1 1 14 14 LEU CB C 13 39.546 0.400 . 1 . . . . . 14 LEU CB . 15344 1 158 . 1 1 14 14 LEU CD1 C 13 25.013 0.400 . 1 . . . . . 14 LEU CD1 . 15344 1 159 . 1 1 14 14 LEU CD2 C 13 23.077 0.400 . 1 . . . . . 14 LEU CD2 . 15344 1 160 . 1 1 14 14 LEU CG C 13 28.023 0.400 . 1 . . . . . 14 LEU CG . 15344 1 161 . 1 1 14 14 LEU N N 15 129.147 0.400 . 1 . . . . . 14 LEU N . 15344 1 162 . 1 1 15 15 PRO HA H 1 4.294 0.020 . 1 . . . . . 15 PRO HA . 15344 1 163 . 1 1 15 15 PRO HB2 H 1 2.414 0.020 . 2 . . . . . 15 PRO HB2 . 15344 1 164 . 1 1 15 15 PRO HB3 H 1 1.904 0.020 . 2 . . . . . 15 PRO HB3 . 15344 1 165 . 1 1 15 15 PRO HD2 H 1 3.579 0.020 . 2 . . . . . 15 PRO HD2 . 15344 1 166 . 1 1 15 15 PRO HD3 H 1 3.523 0.020 . 2 . . . . . 15 PRO HD3 . 15344 1 167 . 1 1 15 15 PRO HG2 H 1 2.175 0.020 . 2 . . . . . 15 PRO HG2 . 15344 1 168 . 1 1 15 15 PRO HG3 H 1 2.060 0.020 . 2 . . . . . 15 PRO HG3 . 15344 1 169 . 1 1 15 15 PRO C C 13 176.570 0.400 . 1 . . . . . 15 PRO C . 15344 1 170 . 1 1 15 15 PRO CA C 13 65.392 0.400 . 1 . . . . . 15 PRO CA . 15344 1 171 . 1 1 15 15 PRO CB C 13 31.808 0.400 . 1 . . . . . 15 PRO CB . 15344 1 172 . 1 1 15 15 PRO CD C 13 50.579 0.400 . 1 . . . . . 15 PRO CD . 15344 1 173 . 1 1 15 15 PRO CG C 13 27.892 0.400 . 1 . . . . . 15 PRO CG . 15344 1 174 . 1 1 16 16 ASP H H 1 7.397 0.020 . 1 . . . . . 16 ASP H . 15344 1 175 . 1 1 16 16 ASP HA H 1 4.486 0.020 . 1 . . . . . 16 ASP HA . 15344 1 176 . 1 1 16 16 ASP HB2 H 1 3.043 0.020 . 2 . . . . . 16 ASP HB2 . 15344 1 177 . 1 1 16 16 ASP HB3 H 1 2.555 0.020 . 2 . . . . . 16 ASP HB3 . 15344 1 178 . 1 1 16 16 ASP C C 13 177.056 0.400 . 1 . . . . . 16 ASP C . 15344 1 179 . 1 1 16 16 ASP CA C 13 53.157 0.400 . 1 . . . . . 16 ASP CA . 15344 1 180 . 1 1 16 16 ASP CB C 13 39.987 0.400 . 1 . . . . . 16 ASP CB . 15344 1 181 . 1 1 16 16 ASP N N 15 113.036 0.400 . 1 . . . . . 16 ASP N . 15344 1 182 . 1 1 17 17 GLY H H 1 8.399 0.020 . 1 . . . . . 17 GLY H . 15344 1 183 . 1 1 17 17 GLY HA2 H 1 4.293 0.020 . 2 . . . . . 17 GLY HA2 . 15344 1 184 . 1 1 17 17 GLY HA3 H 1 3.481 0.020 . 2 . . . . . 17 GLY HA3 . 15344 1 185 . 1 1 17 17 GLY C C 13 174.700 0.400 . 1 . . . . . 17 GLY C . 15344 1 186 . 1 1 17 17 GLY CA C 13 44.998 0.400 . 1 . . . . . 17 GLY CA . 15344 1 187 . 1 1 17 17 GLY N N 15 108.859 0.400 . 1 . . . . . 17 GLY N . 15344 1 188 . 1 1 18 18 THR H H 1 8.003 0.020 . 1 . . . . . 18 THR H . 15344 1 189 . 1 1 18 18 THR HA H 1 4.151 0.020 . 1 . . . . . 18 THR HA . 15344 1 190 . 1 1 18 18 THR HB H 1 4.122 0.020 . 1 . . . . . 18 THR HB . 15344 1 191 . 1 1 18 18 THR HG21 H 1 1.091 0.020 . 1 . . . . . 18 THR HG2 . 15344 1 192 . 1 1 18 18 THR HG22 H 1 1.091 0.020 . 1 . . . . . 18 THR HG2 . 15344 1 193 . 1 1 18 18 THR HG23 H 1 1.091 0.020 . 1 . . . . . 18 THR HG2 . 15344 1 194 . 1 1 18 18 THR C C 13 172.576 0.400 . 1 . . . . . 18 THR C . 15344 1 195 . 1 1 18 18 THR CA C 13 63.144 0.400 . 1 . . . . . 18 THR CA . 15344 1 196 . 1 1 18 18 THR CB C 13 69.888 0.400 . 1 . . . . . 18 THR CB . 15344 1 197 . 1 1 18 18 THR CG2 C 13 21.509 0.400 . 1 . . . . . 18 THR CG2 . 15344 1 198 . 1 1 18 18 THR N N 15 116.015 0.400 . 1 . . . . . 18 THR N . 15344 1 199 . 1 1 19 19 VAL H H 1 8.384 0.020 . 1 . . . . . 19 VAL H . 15344 1 200 . 1 1 19 19 VAL HA H 1 4.726 0.020 . 1 . . . . . 19 VAL HA . 15344 1 201 . 1 1 19 19 VAL HB H 1 1.841 0.020 . 1 . . . . . 19 VAL HB . 15344 1 202 . 1 1 19 19 VAL HG11 H 1 0.745 0.020 . 2 . . . . . 19 VAL HG1 . 15344 1 203 . 1 1 19 19 VAL HG12 H 1 0.745 0.020 . 2 . . . . . 19 VAL HG1 . 15344 1 204 . 1 1 19 19 VAL HG13 H 1 0.745 0.020 . 2 . . . . . 19 VAL HG1 . 15344 1 205 . 1 1 19 19 VAL HG21 H 1 0.909 0.020 . 2 . . . . . 19 VAL HG2 . 15344 1 206 . 1 1 19 19 VAL HG22 H 1 0.909 0.020 . 2 . . . . . 19 VAL HG2 . 15344 1 207 . 1 1 19 19 VAL HG23 H 1 0.909 0.020 . 2 . . . . . 19 VAL HG2 . 15344 1 208 . 1 1 19 19 VAL C C 13 175.823 0.400 . 1 . . . . . 19 VAL C . 15344 1 209 . 1 1 19 19 VAL CA C 13 61.491 0.400 . 1 . . . . . 19 VAL CA . 15344 1 210 . 1 1 19 19 VAL CB C 13 33.757 0.400 . 1 . . . . . 19 VAL CB . 15344 1 211 . 1 1 19 19 VAL CG1 C 13 21.528 0.400 . 1 . . . . . 19 VAL CG1 . 15344 1 212 . 1 1 19 19 VAL CG2 C 13 20.897 0.400 . 1 . . . . . 19 VAL CG2 . 15344 1 213 . 1 1 19 19 VAL N N 15 121.723 0.400 . 1 . . . . . 19 VAL N . 15344 1 214 . 1 1 20 20 LEU H H 1 8.948 0.020 . 1 . . . . . 20 LEU H . 15344 1 215 . 1 1 20 20 LEU HA H 1 4.784 0.020 . 1 . . . . . 20 LEU HA . 15344 1 216 . 1 1 20 20 LEU HB2 H 1 1.627 0.020 . 2 . . . . . 20 LEU HB2 . 15344 1 217 . 1 1 20 20 LEU HB3 H 1 1.306 0.020 . 2 . . . . . 20 LEU HB3 . 15344 1 218 . 1 1 20 20 LEU HD11 H 1 0.927 0.020 . 2 . . . . . 20 LEU HD1 . 15344 1 219 . 1 1 20 20 LEU HD12 H 1 0.927 0.020 . 2 . . . . . 20 LEU HD1 . 15344 1 220 . 1 1 20 20 LEU HD13 H 1 0.927 0.020 . 2 . . . . . 20 LEU HD1 . 15344 1 221 . 1 1 20 20 LEU HD21 H 1 0.814 0.020 . 2 . . . . . 20 LEU HD2 . 15344 1 222 . 1 1 20 20 LEU HD22 H 1 0.814 0.020 . 2 . . . . . 20 LEU HD2 . 15344 1 223 . 1 1 20 20 LEU HD23 H 1 0.814 0.020 . 2 . . . . . 20 LEU HD2 . 15344 1 224 . 1 1 20 20 LEU HG H 1 1.468 0.020 . 1 . . . . . 20 LEU HG . 15344 1 225 . 1 1 20 20 LEU C C 13 174.749 0.400 . 1 . . . . . 20 LEU C . 15344 1 226 . 1 1 20 20 LEU CA C 13 53.616 0.400 . 1 . . . . . 20 LEU CA . 15344 1 227 . 1 1 20 20 LEU CB C 13 45.062 0.400 . 1 . . . . . 20 LEU CB . 15344 1 228 . 1 1 20 20 LEU CD1 C 13 24.610 0.400 . 1 . . . . . 20 LEU CD1 . 15344 1 229 . 1 1 20 20 LEU CD2 C 13 25.148 0.400 . 1 . . . . . 20 LEU CD2 . 15344 1 230 . 1 1 20 20 LEU CG C 13 26.955 0.400 . 1 . . . . . 20 LEU CG . 15344 1 231 . 1 1 20 20 LEU N N 15 129.673 0.400 . 1 . . . . . 20 LEU N . 15344 1 232 . 1 1 21 21 SER H H 1 9.246 0.020 . 1 . . . . . 21 SER H . 15344 1 233 . 1 1 21 21 SER HA H 1 5.207 0.020 . 1 . . . . . 21 SER HA . 15344 1 234 . 1 1 21 21 SER HB2 H 1 4.132 0.020 . 2 . . . . . 21 SER HB2 . 15344 1 235 . 1 1 21 21 SER HB3 H 1 3.843 0.020 . 2 . . . . . 21 SER HB3 . 15344 1 236 . 1 1 21 21 SER C C 13 176.047 0.400 . 1 . . . . . 21 SER C . 15344 1 237 . 1 1 21 21 SER CA C 13 56.523 0.400 . 1 . . . . . 21 SER CA . 15344 1 238 . 1 1 21 21 SER CB C 13 66.369 0.400 . 1 . . . . . 21 SER CB . 15344 1 239 . 1 1 21 21 SER N N 15 120.387 0.400 . 1 . . . . . 21 SER N . 15344 1 240 . 1 1 22 22 ARG H H 1 8.847 0.020 . 1 . . . . . 22 ARG H . 15344 1 241 . 1 1 22 22 ARG HA H 1 3.868 0.020 . 1 . . . . . 22 ARG HA . 15344 1 242 . 1 1 22 22 ARG HB2 H 1 1.895 0.020 . 2 . . . . . 22 ARG HB2 . 15344 1 243 . 1 1 22 22 ARG HB3 H 1 1.889 0.020 . 2 . . . . . 22 ARG HB3 . 15344 1 244 . 1 1 22 22 ARG HD2 H 1 3.208 0.020 . 2 . . . . . 22 ARG HD2 . 15344 1 245 . 1 1 22 22 ARG HD3 H 1 3.208 0.020 . 2 . . . . . 22 ARG HD3 . 15344 1 246 . 1 1 22 22 ARG HG2 H 1 1.887 0.020 . 2 . . . . . 22 ARG HG2 . 15344 1 247 . 1 1 22 22 ARG HG3 H 1 1.453 0.020 . 2 . . . . . 22 ARG HG3 . 15344 1 248 . 1 1 22 22 ARG C C 13 178.388 0.400 . 1 . . . . . 22 ARG C . 15344 1 249 . 1 1 22 22 ARG CA C 13 60.207 0.400 . 1 . . . . . 22 ARG CA . 15344 1 250 . 1 1 22 22 ARG CB C 13 29.118 0.400 . 1 . . . . . 22 ARG CB . 15344 1 251 . 1 1 22 22 ARG CD C 13 43.395 0.400 . 1 . . . . . 22 ARG CD . 15344 1 252 . 1 1 22 22 ARG CG C 13 29.646 0.400 . 1 . . . . . 22 ARG CG . 15344 1 253 . 1 1 22 22 ARG N N 15 122.878 0.400 . 1 . . . . . 22 ARG N . 15344 1 254 . 1 1 23 23 ALA H H 1 8.243 0.020 . 1 . . . . . 23 ALA H . 15344 1 255 . 1 1 23 23 ALA HA H 1 4.175 0.020 . 1 . . . . . 23 ALA HA . 15344 1 256 . 1 1 23 23 ALA HB1 H 1 1.376 0.020 . 1 . . . . . 23 ALA HB . 15344 1 257 . 1 1 23 23 ALA HB2 H 1 1.376 0.020 . 1 . . . . . 23 ALA HB . 15344 1 258 . 1 1 23 23 ALA HB3 H 1 1.376 0.020 . 1 . . . . . 23 ALA HB . 15344 1 259 . 1 1 23 23 ALA C C 13 177.763 0.400 . 1 . . . . . 23 ALA C . 15344 1 260 . 1 1 23 23 ALA CA C 13 54.000 0.400 . 1 . . . . . 23 ALA CA . 15344 1 261 . 1 1 23 23 ALA CB C 13 18.461 0.400 . 1 . . . . . 23 ALA CB . 15344 1 262 . 1 1 23 23 ALA N N 15 121.050 0.400 . 1 . . . . . 23 ALA N . 15344 1 263 . 1 1 24 24 ASP H H 1 7.597 0.020 . 1 . . . . . 24 ASP H . 15344 1 264 . 1 1 24 24 ASP HA H 1 4.632 0.020 . 1 . . . . . 24 ASP HA . 15344 1 265 . 1 1 24 24 ASP HB2 H 1 2.848 0.020 . 2 . . . . . 24 ASP HB2 . 15344 1 266 . 1 1 24 24 ASP HB3 H 1 2.848 0.020 . 2 . . . . . 24 ASP HB3 . 15344 1 267 . 1 1 24 24 ASP C C 13 176.608 0.400 . 1 . . . . . 24 ASP C . 15344 1 268 . 1 1 24 24 ASP CA C 13 54.726 0.400 . 1 . . . . . 24 ASP CA . 15344 1 269 . 1 1 24 24 ASP CB C 13 42.026 0.400 . 1 . . . . . 24 ASP CB . 15344 1 270 . 1 1 24 24 ASP N N 15 115.095 0.400 . 1 . . . . . 24 ASP N . 15344 1 271 . 1 1 25 25 LEU H H 1 7.311 0.020 . 1 . . . . . 25 LEU H . 15344 1 272 . 1 1 25 25 LEU HA H 1 4.402 0.020 . 1 . . . . . 25 LEU HA . 15344 1 273 . 1 1 25 25 LEU HB2 H 1 1.899 0.020 . 2 . . . . . 25 LEU HB2 . 15344 1 274 . 1 1 25 25 LEU HB3 H 1 1.689 0.020 . 2 . . . . . 25 LEU HB3 . 15344 1 275 . 1 1 25 25 LEU HD11 H 1 0.956 0.020 . 2 . . . . . 25 LEU HD1 . 15344 1 276 . 1 1 25 25 LEU HD12 H 1 0.956 0.020 . 2 . . . . . 25 LEU HD1 . 15344 1 277 . 1 1 25 25 LEU HD13 H 1 0.956 0.020 . 2 . . . . . 25 LEU HD1 . 15344 1 278 . 1 1 25 25 LEU HD21 H 1 0.917 0.020 . 2 . . . . . 25 LEU HD2 . 15344 1 279 . 1 1 25 25 LEU HD22 H 1 0.917 0.020 . 2 . . . . . 25 LEU HD2 . 15344 1 280 . 1 1 25 25 LEU HD23 H 1 0.917 0.020 . 2 . . . . . 25 LEU HD2 . 15344 1 281 . 1 1 25 25 LEU HG H 1 1.884 0.020 . 1 . . . . . 25 LEU HG . 15344 1 282 . 1 1 25 25 LEU C C 13 174.724 0.400 . 1 . . . . . 25 LEU C . 15344 1 283 . 1 1 25 25 LEU CA C 13 53.307 0.400 . 1 . . . . . 25 LEU CA . 15344 1 284 . 1 1 25 25 LEU CB C 13 40.047 0.400 . 1 . . . . . 25 LEU CB . 15344 1 285 . 1 1 25 25 LEU CD1 C 13 25.730 0.400 . 1 . . . . . 25 LEU CD1 . 15344 1 286 . 1 1 25 25 LEU CD2 C 13 23.138 0.400 . 1 . . . . . 25 LEU CD2 . 15344 1 287 . 1 1 25 25 LEU CG C 13 27.085 0.400 . 1 . . . . . 25 LEU CG . 15344 1 288 . 1 1 25 25 LEU N N 15 119.781 0.400 . 1 . . . . . 25 LEU N . 15344 1 289 . 1 1 26 26 PRO HA H 1 4.745 0.020 . 1 . . . . . 26 PRO HA . 15344 1 290 . 1 1 26 26 PRO HB2 H 1 2.161 0.020 . 2 . . . . . 26 PRO HB2 . 15344 1 291 . 1 1 26 26 PRO HB3 H 1 1.774 0.020 . 2 . . . . . 26 PRO HB3 . 15344 1 292 . 1 1 26 26 PRO HD2 H 1 3.924 0.020 . 2 . . . . . 26 PRO HD2 . 15344 1 293 . 1 1 26 26 PRO HD3 H 1 3.725 0.020 . 2 . . . . . 26 PRO HD3 . 15344 1 294 . 1 1 26 26 PRO HG2 H 1 2.244 0.020 . 2 . . . . . 26 PRO HG2 . 15344 1 295 . 1 1 26 26 PRO HG3 H 1 2.157 0.020 . 2 . . . . . 26 PRO HG3 . 15344 1 296 . 1 1 26 26 PRO CA C 13 61.496 0.400 . 1 . . . . . 26 PRO CA . 15344 1 297 . 1 1 26 26 PRO CB C 13 30.700 0.400 . 1 . . . . . 26 PRO CB . 15344 1 298 . 1 1 26 26 PRO CD C 13 50.212 0.400 . 1 . . . . . 26 PRO CD . 15344 1 299 . 1 1 26 26 PRO CG C 13 28.140 0.400 . 1 . . . . . 26 PRO CG . 15344 1 300 . 1 1 27 27 PRO HA H 1 4.598 0.020 . 1 . . . . . 27 PRO HA . 15344 1 301 . 1 1 27 27 PRO HB2 H 1 2.440 0.020 . 2 . . . . . 27 PRO HB2 . 15344 1 302 . 1 1 27 27 PRO HB3 H 1 2.069 0.020 . 2 . . . . . 27 PRO HB3 . 15344 1 303 . 1 1 27 27 PRO HD2 H 1 3.853 0.020 . 2 . . . . . 27 PRO HD2 . 15344 1 304 . 1 1 27 27 PRO HD3 H 1 3.459 0.020 . 2 . . . . . 27 PRO HD3 . 15344 1 305 . 1 1 27 27 PRO HG2 H 1 2.047 0.020 . 2 . . . . . 27 PRO HG2 . 15344 1 306 . 1 1 27 27 PRO HG3 H 1 1.986 0.020 . 2 . . . . . 27 PRO HG3 . 15344 1 307 . 1 1 27 27 PRO C C 13 178.036 0.400 . 1 . . . . . 27 PRO C . 15344 1 308 . 1 1 27 27 PRO CA C 13 62.923 0.400 . 1 . . . . . 27 PRO CA . 15344 1 309 . 1 1 27 27 PRO CB C 13 32.758 0.400 . 1 . . . . . 27 PRO CB . 15344 1 310 . 1 1 27 27 PRO CD C 13 51.100 0.400 . 1 . . . . . 27 PRO CD . 15344 1 311 . 1 1 27 27 PRO CG C 13 27.482 0.400 . 1 . . . . . 27 PRO CG . 15344 1 312 . 1 1 28 28 LEU H H 1 8.880 0.020 . 1 . . . . . 28 LEU H . 15344 1 313 . 1 1 28 28 LEU HA H 1 4.177 0.020 . 1 . . . . . 28 LEU HA . 15344 1 314 . 1 1 28 28 LEU HB2 H 1 1.757 0.020 . 2 . . . . . 28 LEU HB2 . 15344 1 315 . 1 1 28 28 LEU HB3 H 1 1.628 0.020 . 2 . . . . . 28 LEU HB3 . 15344 1 316 . 1 1 28 28 LEU HD11 H 1 0.909 0.020 . 2 . . . . . 28 LEU HD1 . 15344 1 317 . 1 1 28 28 LEU HD12 H 1 0.909 0.020 . 2 . . . . . 28 LEU HD1 . 15344 1 318 . 1 1 28 28 LEU HD13 H 1 0.909 0.020 . 2 . . . . . 28 LEU HD1 . 15344 1 319 . 1 1 28 28 LEU HD21 H 1 0.759 0.020 . 2 . . . . . 28 LEU HD2 . 15344 1 320 . 1 1 28 28 LEU HD22 H 1 0.759 0.020 . 2 . . . . . 28 LEU HD2 . 15344 1 321 . 1 1 28 28 LEU HD23 H 1 0.759 0.020 . 2 . . . . . 28 LEU HD2 . 15344 1 322 . 1 1 28 28 LEU HG H 1 1.777 0.020 . 1 . . . . . 28 LEU HG . 15344 1 323 . 1 1 28 28 LEU C C 13 176.873 0.400 . 1 . . . . . 28 LEU C . 15344 1 324 . 1 1 28 28 LEU CA C 13 57.833 0.400 . 1 . . . . . 28 LEU CA . 15344 1 325 . 1 1 28 28 LEU CB C 13 41.291 0.400 . 1 . . . . . 28 LEU CB . 15344 1 326 . 1 1 28 28 LEU CD1 C 13 25.118 0.400 . 1 . . . . . 28 LEU CD1 . 15344 1 327 . 1 1 28 28 LEU CD2 C 13 23.776 0.400 . 1 . . . . . 28 LEU CD2 . 15344 1 328 . 1 1 28 28 LEU CG C 13 27.476 0.400 . 1 . . . . . 28 LEU CG . 15344 1 329 . 1 1 28 28 LEU N N 15 122.643 0.400 . 1 . . . . . 28 LEU N . 15344 1 330 . 1 1 29 29 ASP H H 1 8.203 0.020 . 1 . . . . . 29 ASP H . 15344 1 331 . 1 1 29 29 ASP HA H 1 4.615 0.020 . 1 . . . . . 29 ASP HA . 15344 1 332 . 1 1 29 29 ASP HB2 H 1 2.908 0.020 . 2 . . . . . 29 ASP HB2 . 15344 1 333 . 1 1 29 29 ASP HB3 H 1 2.585 0.020 . 2 . . . . . 29 ASP HB3 . 15344 1 334 . 1 1 29 29 ASP C C 13 176.158 0.400 . 1 . . . . . 29 ASP C . 15344 1 335 . 1 1 29 29 ASP CA C 13 53.098 0.400 . 1 . . . . . 29 ASP CA . 15344 1 336 . 1 1 29 29 ASP CB C 13 39.311 0.400 . 1 . . . . . 29 ASP CB . 15344 1 337 . 1 1 29 29 ASP N N 15 115.741 0.400 . 1 . . . . . 29 ASP N . 15344 1 338 . 1 1 30 30 THR H H 1 7.516 0.020 . 1 . . . . . 30 THR H . 15344 1 339 . 1 1 30 30 THR HA H 1 3.599 0.020 . 1 . . . . . 30 THR HA . 15344 1 340 . 1 1 30 30 THR HB H 1 3.625 0.020 . 1 . . . . . 30 THR HB . 15344 1 341 . 1 1 30 30 THR HG21 H 1 -0.281 0.020 . 1 . . . . . 30 THR HG2 . 15344 1 342 . 1 1 30 30 THR HG22 H 1 -0.281 0.020 . 1 . . . . . 30 THR HG2 . 15344 1 343 . 1 1 30 30 THR HG23 H 1 -0.281 0.020 . 1 . . . . . 30 THR HG2 . 15344 1 344 . 1 1 30 30 THR C C 13 174.366 0.400 . 1 . . . . . 30 THR C . 15344 1 345 . 1 1 30 30 THR CA C 13 65.815 0.400 . 1 . . . . . 30 THR CA . 15344 1 346 . 1 1 30 30 THR CB C 13 69.989 0.400 . 1 . . . . . 30 THR CB . 15344 1 347 . 1 1 30 30 THR CG2 C 13 19.568 0.400 . 1 . . . . . 30 THR CG2 . 15344 1 348 . 1 1 30 30 THR N N 15 116.808 0.400 . 1 . . . . . 30 THR N . 15344 1 349 . 1 1 31 31 ARG H H 1 8.482 0.020 . 1 . . . . . 31 ARG H . 15344 1 350 . 1 1 31 31 ARG HA H 1 4.583 0.020 . 1 . . . . . 31 ARG HA . 15344 1 351 . 1 1 31 31 ARG HB2 H 1 1.954 0.020 . 2 . . . . . 31 ARG HB2 . 15344 1 352 . 1 1 31 31 ARG HB3 H 1 1.707 0.020 . 2 . . . . . 31 ARG HB3 . 15344 1 353 . 1 1 31 31 ARG HD2 H 1 3.315 0.020 . 2 . . . . . 31 ARG HD2 . 15344 1 354 . 1 1 31 31 ARG HD3 H 1 3.212 0.020 . 2 . . . . . 31 ARG HD3 . 15344 1 355 . 1 1 31 31 ARG HE H 1 7.608 0.020 . 1 . . . . . 31 ARG HE . 15344 1 356 . 1 1 31 31 ARG HG2 H 1 1.705 0.020 . 2 . . . . . 31 ARG HG2 . 15344 1 357 . 1 1 31 31 ARG HG3 H 1 1.705 0.020 . 2 . . . . . 31 ARG HG3 . 15344 1 358 . 1 1 31 31 ARG CA C 13 55.399 0.400 . 1 . . . . . 31 ARG CA . 15344 1 359 . 1 1 31 31 ARG CB C 13 32.296 0.400 . 1 . . . . . 31 ARG CB . 15344 1 360 . 1 1 31 31 ARG CD C 13 43.134 0.400 . 1 . . . . . 31 ARG CD . 15344 1 361 . 1 1 31 31 ARG CG C 13 26.854 0.400 . 1 . . . . . 31 ARG CG . 15344 1 362 . 1 1 31 31 ARG N N 15 124.991 0.400 . 1 . . . . . 31 ARG N . 15344 1 363 . 1 1 31 31 ARG NE N 15 88.125 0.400 . 1 . . . . . 31 ARG NE . 15344 1 364 . 1 1 32 32 ARG HA H 1 4.523 0.020 . 1 . . . . . 32 ARG HA . 15344 1 365 . 1 1 32 32 ARG HB2 H 1 1.691 0.020 . 2 . . . . . 32 ARG HB2 . 15344 1 366 . 1 1 32 32 ARG HB3 H 1 1.637 0.020 . 2 . . . . . 32 ARG HB3 . 15344 1 367 . 1 1 32 32 ARG HD2 H 1 3.176 0.020 . 2 . . . . . 32 ARG HD2 . 15344 1 368 . 1 1 32 32 ARG HD3 H 1 3.176 0.020 . 2 . . . . . 32 ARG HD3 . 15344 1 369 . 1 1 32 32 ARG HE H 1 7.399 0.020 . 1 . . . . . 32 ARG HE . 15344 1 370 . 1 1 32 32 ARG HG2 H 1 1.550 0.020 . 2 . . . . . 32 ARG HG2 . 15344 1 371 . 1 1 32 32 ARG HG3 H 1 1.450 0.020 . 2 . . . . . 32 ARG HG3 . 15344 1 372 . 1 1 32 32 ARG C C 13 175.341 0.400 . 1 . . . . . 32 ARG C . 15344 1 373 . 1 1 32 32 ARG CA C 13 54.759 0.400 . 1 . . . . . 32 ARG CA . 15344 1 374 . 1 1 32 32 ARG CB C 13 30.348 0.400 . 1 . . . . . 32 ARG CB . 15344 1 375 . 1 1 32 32 ARG CD C 13 43.291 0.400 . 1 . . . . . 32 ARG CD . 15344 1 376 . 1 1 32 32 ARG CG C 13 27.007 0.400 . 1 . . . . . 32 ARG CG . 15344 1 377 . 1 1 32 32 ARG NE N 15 84.950 0.400 . 1 . . . . . 32 ARG NE . 15344 1 378 . 1 1 33 33 TRP H H 1 8.923 0.020 . 1 . . . . . 33 TRP H . 15344 1 379 . 1 1 33 33 TRP HA H 1 4.292 0.020 . 1 . . . . . 33 TRP HA . 15344 1 380 . 1 1 33 33 TRP HB2 H 1 2.933 0.020 . 2 . . . . . 33 TRP HB2 . 15344 1 381 . 1 1 33 33 TRP HB3 H 1 2.694 0.020 . 2 . . . . . 33 TRP HB3 . 15344 1 382 . 1 1 33 33 TRP HD1 H 1 7.261 0.020 . 1 . . . . . 33 TRP HD1 . 15344 1 383 . 1 1 33 33 TRP HE1 H 1 10.133 0.020 . 1 . . . . . 33 TRP HE1 . 15344 1 384 . 1 1 33 33 TRP HE3 H 1 6.794 0.020 . 1 . . . . . 33 TRP HE3 . 15344 1 385 . 1 1 33 33 TRP HH2 H 1 5.911 0.020 . 1 . . . . . 33 TRP HH2 . 15344 1 386 . 1 1 33 33 TRP HZ2 H 1 7.488 0.020 . 1 . . . . . 33 TRP HZ2 . 15344 1 387 . 1 1 33 33 TRP HZ3 H 1 6.594 0.020 . 1 . . . . . 33 TRP HZ3 . 15344 1 388 . 1 1 33 33 TRP C C 13 176.208 0.400 . 1 . . . . . 33 TRP C . 15344 1 389 . 1 1 33 33 TRP CA C 13 56.923 0.400 . 1 . . . . . 33 TRP CA . 15344 1 390 . 1 1 33 33 TRP CB C 13 28.492 0.400 . 1 . . . . . 33 TRP CB . 15344 1 391 . 1 1 33 33 TRP CD1 C 13 126.404 0.400 . 1 . . . . . 33 TRP CD1 . 15344 1 392 . 1 1 33 33 TRP CE3 C 13 120.016 0.400 . 1 . . . . . 33 TRP CE3 . 15344 1 393 . 1 1 33 33 TRP CH2 C 13 123.253 0.400 . 1 . . . . . 33 TRP CH2 . 15344 1 394 . 1 1 33 33 TRP CZ2 C 13 115.127 0.400 . 1 . . . . . 33 TRP CZ2 . 15344 1 395 . 1 1 33 33 TRP CZ3 C 13 121.277 0.400 . 1 . . . . . 33 TRP CZ3 . 15344 1 396 . 1 1 33 33 TRP N N 15 128.804 0.400 . 1 . . . . . 33 TRP N . 15344 1 397 . 1 1 33 33 TRP NE1 N 15 128.356 0.400 . 1 . . . . . 33 TRP NE1 . 15344 1 398 . 1 1 34 34 VAL H H 1 6.953 0.020 . 1 . . . . . 34 VAL H . 15344 1 399 . 1 1 34 34 VAL HA H 1 4.451 0.020 . 1 . . . . . 34 VAL HA . 15344 1 400 . 1 1 34 34 VAL HB H 1 2.484 0.020 . 1 . . . . . 34 VAL HB . 15344 1 401 . 1 1 34 34 VAL HG11 H 1 0.943 0.020 . 2 . . . . . 34 VAL HG1 . 15344 1 402 . 1 1 34 34 VAL HG12 H 1 0.943 0.020 . 2 . . . . . 34 VAL HG1 . 15344 1 403 . 1 1 34 34 VAL HG13 H 1 0.943 0.020 . 2 . . . . . 34 VAL HG1 . 15344 1 404 . 1 1 34 34 VAL HG21 H 1 0.881 0.020 . 2 . . . . . 34 VAL HG2 . 15344 1 405 . 1 1 34 34 VAL HG22 H 1 0.881 0.020 . 2 . . . . . 34 VAL HG2 . 15344 1 406 . 1 1 34 34 VAL HG23 H 1 0.881 0.020 . 2 . . . . . 34 VAL HG2 . 15344 1 407 . 1 1 34 34 VAL C C 13 177.217 0.400 . 1 . . . . . 34 VAL C . 15344 1 408 . 1 1 34 34 VAL CA C 13 60.180 0.400 . 1 . . . . . 34 VAL CA . 15344 1 409 . 1 1 34 34 VAL CB C 13 32.686 0.400 . 1 . . . . . 34 VAL CB . 15344 1 410 . 1 1 34 34 VAL CG1 C 13 21.844 0.400 . 1 . . . . . 34 VAL CG1 . 15344 1 411 . 1 1 34 34 VAL CG2 C 13 18.483 0.400 . 1 . . . . . 34 VAL CG2 . 15344 1 412 . 1 1 34 34 VAL N N 15 114.683 0.400 . 1 . . . . . 34 VAL N . 15344 1 413 . 1 1 35 35 ALA HA H 1 3.745 0.020 . 1 . . . . . 35 ALA HA . 15344 1 414 . 1 1 35 35 ALA HB1 H 1 1.423 0.020 . 1 . . . . . 35 ALA HB . 15344 1 415 . 1 1 35 35 ALA HB2 H 1 1.423 0.020 . 1 . . . . . 35 ALA HB . 15344 1 416 . 1 1 35 35 ALA HB3 H 1 1.423 0.020 . 1 . . . . . 35 ALA HB . 15344 1 417 . 1 1 35 35 ALA C C 13 180.114 0.400 . 1 . . . . . 35 ALA C . 15344 1 418 . 1 1 35 35 ALA CA C 13 56.618 0.400 . 1 . . . . . 35 ALA CA . 15344 1 419 . 1 1 35 35 ALA CB C 13 18.334 0.400 . 1 . . . . . 35 ALA CB . 15344 1 420 . 1 1 36 36 SER H H 1 8.841 0.020 . 1 . . . . . 36 SER H . 15344 1 421 . 1 1 36 36 SER HA H 1 4.140 0.020 . 1 . . . . . 36 SER HA . 15344 1 422 . 1 1 36 36 SER HB2 H 1 3.898 0.020 . 2 . . . . . 36 SER HB2 . 15344 1 423 . 1 1 36 36 SER HB3 H 1 3.898 0.020 . 2 . . . . . 36 SER HB3 . 15344 1 424 . 1 1 36 36 SER C C 13 177.291 0.400 . 1 . . . . . 36 SER C . 15344 1 425 . 1 1 36 36 SER CA C 13 61.250 0.400 . 1 . . . . . 36 SER CA . 15344 1 426 . 1 1 36 36 SER CB C 13 61.673 0.400 . 1 . . . . . 36 SER CB . 15344 1 427 . 1 1 36 36 SER N N 15 111.913 0.400 . 1 . . . . . 36 SER N . 15344 1 428 . 1 1 37 37 ARG H H 1 7.183 0.020 . 1 . . . . . 37 ARG H . 15344 1 429 . 1 1 37 37 ARG HA H 1 4.349 0.020 . 1 . . . . . 37 ARG HA . 15344 1 430 . 1 1 37 37 ARG HB2 H 1 1.908 0.020 . 2 . . . . . 37 ARG HB2 . 15344 1 431 . 1 1 37 37 ARG HB3 H 1 1.912 0.020 . 2 . . . . . 37 ARG HB3 . 15344 1 432 . 1 1 37 37 ARG HD2 H 1 2.979 0.020 . 2 . . . . . 37 ARG HD2 . 15344 1 433 . 1 1 37 37 ARG HD3 H 1 2.886 0.020 . 2 . . . . . 37 ARG HD3 . 15344 1 434 . 1 1 37 37 ARG HG2 H 1 1.696 0.020 . 2 . . . . . 37 ARG HG2 . 15344 1 435 . 1 1 37 37 ARG HG3 H 1 1.630 0.020 . 2 . . . . . 37 ARG HG3 . 15344 1 436 . 1 1 37 37 ARG C C 13 177.816 0.400 . 1 . . . . . 37 ARG C . 15344 1 437 . 1 1 37 37 ARG CA C 13 58.944 0.400 . 1 . . . . . 37 ARG CA . 15344 1 438 . 1 1 37 37 ARG CB C 13 31.009 0.400 . 1 . . . . . 37 ARG CB . 15344 1 439 . 1 1 37 37 ARG CD C 13 43.903 0.400 . 1 . . . . . 37 ARG CD . 15344 1 440 . 1 1 37 37 ARG CG C 13 28.492 0.400 . 1 . . . . . 37 ARG CG . 15344 1 441 . 1 1 37 37 ARG N N 15 123.504 0.400 . 1 . . . . . 37 ARG N . 15344 1 442 . 1 1 38 38 LYS H H 1 7.514 0.020 . 1 . . . . . 38 LYS H . 15344 1 443 . 1 1 38 38 LYS HA H 1 3.592 0.020 . 1 . . . . . 38 LYS HA . 15344 1 444 . 1 1 38 38 LYS HB2 H 1 1.309 0.020 . 2 . . . . . 38 LYS HB2 . 15344 1 445 . 1 1 38 38 LYS HB3 H 1 0.781 0.020 . 2 . . . . . 38 LYS HB3 . 15344 1 446 . 1 1 38 38 LYS HD2 H 1 0.579 0.020 . 2 . . . . . 38 LYS HD2 . 15344 1 447 . 1 1 38 38 LYS HD3 H 1 0.231 0.020 . 2 . . . . . 38 LYS HD3 . 15344 1 448 . 1 1 38 38 LYS HE2 H 1 2.318 0.020 . 2 . . . . . 38 LYS HE2 . 15344 1 449 . 1 1 38 38 LYS HE3 H 1 2.124 0.020 . 2 . . . . . 38 LYS HE3 . 15344 1 450 . 1 1 38 38 LYS HG2 H 1 -1.114 0.020 . 2 . . . . . 38 LYS HG2 . 15344 1 451 . 1 1 38 38 LYS HG3 H 1 -1.114 0.020 . 2 . . . . . 38 LYS HG3 . 15344 1 452 . 1 1 38 38 LYS C C 13 178.935 0.400 . 1 . . . . . 38 LYS C . 15344 1 453 . 1 1 38 38 LYS CA C 13 59.846 0.400 . 1 . . . . . 38 LYS CA . 15344 1 454 . 1 1 38 38 LYS CB C 13 33.310 0.400 . 1 . . . . . 38 LYS CB . 15344 1 455 . 1 1 38 38 LYS CD C 13 29.439 0.400 . 1 . . . . . 38 LYS CD . 15344 1 456 . 1 1 38 38 LYS CE C 13 41.506 0.400 . 1 . . . . . 38 LYS CE . 15344 1 457 . 1 1 38 38 LYS CG C 13 25.028 0.400 . 1 . . . . . 38 LYS CG . 15344 1 458 . 1 1 38 38 LYS N N 15 118.200 0.400 . 1 . . . . . 38 LYS N . 15344 1 459 . 1 1 39 39 ALA H H 1 8.131 0.020 . 1 . . . . . 39 ALA H . 15344 1 460 . 1 1 39 39 ALA HA H 1 3.865 0.020 . 1 . . . . . 39 ALA HA . 15344 1 461 . 1 1 39 39 ALA HB1 H 1 1.410 0.020 . 1 . . . . . 39 ALA HB . 15344 1 462 . 1 1 39 39 ALA HB2 H 1 1.410 0.020 . 1 . . . . . 39 ALA HB . 15344 1 463 . 1 1 39 39 ALA HB3 H 1 1.410 0.020 . 1 . . . . . 39 ALA HB . 15344 1 464 . 1 1 39 39 ALA C C 13 178.995 0.400 . 1 . . . . . 39 ALA C . 15344 1 465 . 1 1 39 39 ALA CA C 13 55.093 0.400 . 1 . . . . . 39 ALA CA . 15344 1 466 . 1 1 39 39 ALA CB C 13 18.124 0.400 . 1 . . . . . 39 ALA CB . 15344 1 467 . 1 1 39 39 ALA N N 15 117.547 0.400 . 1 . . . . . 39 ALA N . 15344 1 468 . 1 1 40 40 ALA H H 1 7.375 0.020 . 1 . . . . . 40 ALA H . 15344 1 469 . 1 1 40 40 ALA HA H 1 4.134 0.020 . 1 . . . . . 40 ALA HA . 15344 1 470 . 1 1 40 40 ALA HB1 H 1 1.638 0.020 . 1 . . . . . 40 ALA HB . 15344 1 471 . 1 1 40 40 ALA HB2 H 1 1.638 0.020 . 1 . . . . . 40 ALA HB . 15344 1 472 . 1 1 40 40 ALA HB3 H 1 1.638 0.020 . 1 . . . . . 40 ALA HB . 15344 1 473 . 1 1 40 40 ALA C C 13 179.512 0.400 . 1 . . . . . 40 ALA C . 15344 1 474 . 1 1 40 40 ALA CA C 13 55.506 0.400 . 1 . . . . . 40 ALA CA . 15344 1 475 . 1 1 40 40 ALA CB C 13 18.473 0.400 . 1 . . . . . 40 ALA CB . 15344 1 476 . 1 1 40 40 ALA N N 15 119.346 0.400 . 1 . . . . . 40 ALA N . 15344 1 477 . 1 1 41 41 VAL H H 1 7.382 0.020 . 1 . . . . . 41 VAL H . 15344 1 478 . 1 1 41 41 VAL HA H 1 3.642 0.020 . 1 . . . . . 41 VAL HA . 15344 1 479 . 1 1 41 41 VAL HB H 1 2.555 0.020 . 1 . . . . . 41 VAL HB . 15344 1 480 . 1 1 41 41 VAL HG11 H 1 1.145 0.020 . 2 . . . . . 41 VAL HG1 . 15344 1 481 . 1 1 41 41 VAL HG12 H 1 1.145 0.020 . 2 . . . . . 41 VAL HG1 . 15344 1 482 . 1 1 41 41 VAL HG13 H 1 1.145 0.020 . 2 . . . . . 41 VAL HG1 . 15344 1 483 . 1 1 41 41 VAL HG21 H 1 1.236 0.020 . 2 . . . . . 41 VAL HG2 . 15344 1 484 . 1 1 41 41 VAL HG22 H 1 1.236 0.020 . 2 . . . . . 41 VAL HG2 . 15344 1 485 . 1 1 41 41 VAL HG23 H 1 1.236 0.020 . 2 . . . . . 41 VAL HG2 . 15344 1 486 . 1 1 41 41 VAL C C 13 177.423 0.400 . 1 . . . . . 41 VAL C . 15344 1 487 . 1 1 41 41 VAL CA C 13 67.279 0.400 . 1 . . . . . 41 VAL CA . 15344 1 488 . 1 1 41 41 VAL CB C 13 32.149 0.400 . 1 . . . . . 41 VAL CB . 15344 1 489 . 1 1 41 41 VAL CG1 C 13 22.291 0.400 . 1 . . . . . 41 VAL CG1 . 15344 1 490 . 1 1 41 41 VAL CG2 C 13 24.036 0.400 . 1 . . . . . 41 VAL CG2 . 15344 1 491 . 1 1 41 41 VAL N N 15 116.434 0.400 . 1 . . . . . 41 VAL N . 15344 1 492 . 1 1 42 42 VAL H H 1 8.332 0.020 . 1 . . . . . 42 VAL H . 15344 1 493 . 1 1 42 42 VAL HA H 1 3.723 0.020 . 1 . . . . . 42 VAL HA . 15344 1 494 . 1 1 42 42 VAL HB H 1 2.146 0.020 . 1 . . . . . 42 VAL HB . 15344 1 495 . 1 1 42 42 VAL HG11 H 1 0.924 0.020 . 2 . . . . . 42 VAL HG1 . 15344 1 496 . 1 1 42 42 VAL HG12 H 1 0.924 0.020 . 2 . . . . . 42 VAL HG1 . 15344 1 497 . 1 1 42 42 VAL HG13 H 1 0.924 0.020 . 2 . . . . . 42 VAL HG1 . 15344 1 498 . 1 1 42 42 VAL HG21 H 1 0.932 0.020 . 2 . . . . . 42 VAL HG2 . 15344 1 499 . 1 1 42 42 VAL HG22 H 1 0.932 0.020 . 2 . . . . . 42 VAL HG2 . 15344 1 500 . 1 1 42 42 VAL HG23 H 1 0.932 0.020 . 2 . . . . . 42 VAL HG2 . 15344 1 501 . 1 1 42 42 VAL C C 13 178.381 0.400 . 1 . . . . . 42 VAL C . 15344 1 502 . 1 1 42 42 VAL CA C 13 67.698 0.400 . 1 . . . . . 42 VAL CA . 15344 1 503 . 1 1 42 42 VAL CB C 13 32.170 0.400 . 1 . . . . . 42 VAL CB . 15344 1 504 . 1 1 42 42 VAL CG1 C 13 22.551 0.400 . 1 . . . . . 42 VAL CG1 . 15344 1 505 . 1 1 42 42 VAL CG2 C 13 23.242 0.400 . 1 . . . . . 42 VAL CG2 . 15344 1 506 . 1 1 42 42 VAL N N 15 118.061 0.400 . 1 . . . . . 42 VAL N . 15344 1 507 . 1 1 43 43 LYS H H 1 8.973 0.020 . 1 . . . . . 43 LYS H . 15344 1 508 . 1 1 43 43 LYS HA H 1 3.977 0.020 . 1 . . . . . 43 LYS HA . 15344 1 509 . 1 1 43 43 LYS HB2 H 1 2.054 0.020 . 2 . . . . . 43 LYS HB2 . 15344 1 510 . 1 1 43 43 LYS HB3 H 1 1.818 0.020 . 2 . . . . . 43 LYS HB3 . 15344 1 511 . 1 1 43 43 LYS HD2 H 1 1.681 0.020 . 2 . . . . . 43 LYS HD2 . 15344 1 512 . 1 1 43 43 LYS HD3 H 1 1.681 0.020 . 2 . . . . . 43 LYS HD3 . 15344 1 513 . 1 1 43 43 LYS HE2 H 1 2.847 0.020 . 2 . . . . . 43 LYS HE2 . 15344 1 514 . 1 1 43 43 LYS HE3 H 1 2.847 0.020 . 2 . . . . . 43 LYS HE3 . 15344 1 515 . 1 1 43 43 LYS HG2 H 1 1.579 0.020 . 2 . . . . . 43 LYS HG2 . 15344 1 516 . 1 1 43 43 LYS HG3 H 1 1.579 0.020 . 2 . . . . . 43 LYS HG3 . 15344 1 517 . 1 1 43 43 LYS C C 13 177.830 0.400 . 1 . . . . . 43 LYS C . 15344 1 518 . 1 1 43 43 LYS CA C 13 60.343 0.400 . 1 . . . . . 43 LYS CA . 15344 1 519 . 1 1 43 43 LYS CB C 13 32.863 0.400 . 1 . . . . . 43 LYS CB . 15344 1 520 . 1 1 43 43 LYS CD C 13 29.728 0.400 . 1 . . . . . 43 LYS CD . 15344 1 521 . 1 1 43 43 LYS CE C 13 42.255 0.400 . 1 . . . . . 43 LYS CE . 15344 1 522 . 1 1 43 43 LYS CG C 13 26.732 0.400 . 1 . . . . . 43 LYS CG . 15344 1 523 . 1 1 43 43 LYS N N 15 118.026 0.400 . 1 . . . . . 43 LYS N . 15344 1 524 . 1 1 44 44 ALA H H 1 7.959 0.020 . 1 . . . . . 44 ALA H . 15344 1 525 . 1 1 44 44 ALA HA H 1 3.968 0.020 . 1 . . . . . 44 ALA HA . 15344 1 526 . 1 1 44 44 ALA HB1 H 1 1.685 0.020 . 1 . . . . . 44 ALA HB . 15344 1 527 . 1 1 44 44 ALA HB2 H 1 1.685 0.020 . 1 . . . . . 44 ALA HB . 15344 1 528 . 1 1 44 44 ALA HB3 H 1 1.685 0.020 . 1 . . . . . 44 ALA HB . 15344 1 529 . 1 1 44 44 ALA C C 13 178.921 0.400 . 1 . . . . . 44 ALA C . 15344 1 530 . 1 1 44 44 ALA CA C 13 55.324 0.400 . 1 . . . . . 44 ALA CA . 15344 1 531 . 1 1 44 44 ALA CB C 13 19.816 0.400 . 1 . . . . . 44 ALA CB . 15344 1 532 . 1 1 44 44 ALA N N 15 119.893 0.400 . 1 . . . . . 44 ALA N . 15344 1 533 . 1 1 45 45 VAL H H 1 7.789 0.020 . 1 . . . . . 45 VAL H . 15344 1 534 . 1 1 45 45 VAL HA H 1 4.494 0.020 . 1 . . . . . 45 VAL HA . 15344 1 535 . 1 1 45 45 VAL HB H 1 2.392 0.020 . 1 . . . . . 45 VAL HB . 15344 1 536 . 1 1 45 45 VAL HG11 H 1 0.996 0.020 . 2 . . . . . 45 VAL HG1 . 15344 1 537 . 1 1 45 45 VAL HG12 H 1 0.996 0.020 . 2 . . . . . 45 VAL HG1 . 15344 1 538 . 1 1 45 45 VAL HG13 H 1 0.996 0.020 . 2 . . . . . 45 VAL HG1 . 15344 1 539 . 1 1 45 45 VAL HG21 H 1 0.913 0.020 . 2 . . . . . 45 VAL HG2 . 15344 1 540 . 1 1 45 45 VAL HG22 H 1 0.913 0.020 . 2 . . . . . 45 VAL HG2 . 15344 1 541 . 1 1 45 45 VAL HG23 H 1 0.913 0.020 . 2 . . . . . 45 VAL HG2 . 15344 1 542 . 1 1 45 45 VAL C C 13 180.590 0.400 . 1 . . . . . 45 VAL C . 15344 1 543 . 1 1 45 45 VAL CA C 13 64.383 0.400 . 1 . . . . . 45 VAL CA . 15344 1 544 . 1 1 45 45 VAL CB C 13 32.456 0.400 . 1 . . . . . 45 VAL CB . 15344 1 545 . 1 1 45 45 VAL CG1 C 13 21.444 0.400 . 1 . . . . . 45 VAL CG1 . 15344 1 546 . 1 1 45 45 VAL CG2 C 13 23.216 0.400 . 1 . . . . . 45 VAL CG2 . 15344 1 547 . 1 1 45 45 VAL N N 15 118.569 0.400 . 1 . . . . . 45 VAL N . 15344 1 548 . 1 1 46 46 ILE H H 1 8.945 0.020 . 1 . . . . . 46 ILE H . 15344 1 549 . 1 1 46 46 ILE HA H 1 3.689 0.020 . 1 . . . . . 46 ILE HA . 15344 1 550 . 1 1 46 46 ILE HB H 1 1.661 0.020 . 1 . . . . . 46 ILE HB . 15344 1 551 . 1 1 46 46 ILE HD11 H 1 0.733 0.020 . 1 . . . . . 46 ILE HD1 . 15344 1 552 . 1 1 46 46 ILE HD12 H 1 0.733 0.020 . 1 . . . . . 46 ILE HD1 . 15344 1 553 . 1 1 46 46 ILE HD13 H 1 0.733 0.020 . 1 . . . . . 46 ILE HD1 . 15344 1 554 . 1 1 46 46 ILE HG12 H 1 1.477 0.020 . 2 . . . . . 46 ILE HG12 . 15344 1 555 . 1 1 46 46 ILE HG13 H 1 1.166 0.020 . 2 . . . . . 46 ILE HG13 . 15344 1 556 . 1 1 46 46 ILE HG21 H 1 0.412 0.020 . 1 . . . . . 46 ILE HG2 . 15344 1 557 . 1 1 46 46 ILE HG22 H 1 0.412 0.020 . 1 . . . . . 46 ILE HG2 . 15344 1 558 . 1 1 46 46 ILE HG23 H 1 0.412 0.020 . 1 . . . . . 46 ILE HG2 . 15344 1 559 . 1 1 46 46 ILE C C 13 178.437 0.400 . 1 . . . . . 46 ILE C . 15344 1 560 . 1 1 46 46 ILE CA C 13 65.391 0.400 . 1 . . . . . 46 ILE CA . 15344 1 561 . 1 1 46 46 ILE CB C 13 38.182 0.400 . 1 . . . . . 46 ILE CB . 15344 1 562 . 1 1 46 46 ILE CD1 C 13 13.732 0.400 . 1 . . . . . 46 ILE CD1 . 15344 1 563 . 1 1 46 46 ILE CG1 C 13 28.283 0.400 . 1 . . . . . 46 ILE CG1 . 15344 1 564 . 1 1 46 46 ILE CG2 C 13 16.272 0.400 . 1 . . . . . 46 ILE CG2 . 15344 1 565 . 1 1 46 46 ILE N N 15 121.331 0.400 . 1 . . . . . 46 ILE N . 15344 1 566 . 1 1 47 47 HIS H H 1 8.030 0.020 . 1 . . . . . 47 HIS H . 15344 1 567 . 1 1 47 47 HIS HA H 1 4.663 0.020 . 1 . . . . . 47 HIS HA . 15344 1 568 . 1 1 47 47 HIS HB2 H 1 3.357 0.020 . 2 . . . . . 47 HIS HB2 . 15344 1 569 . 1 1 47 47 HIS HB3 H 1 2.827 0.020 . 2 . . . . . 47 HIS HB3 . 15344 1 570 . 1 1 47 47 HIS HD2 H 1 7.037 0.020 . 1 . . . . . 47 HIS HD2 . 15344 1 571 . 1 1 47 47 HIS HE1 H 1 7.746 0.020 . 1 . . . . . 47 HIS HE1 . 15344 1 572 . 1 1 47 47 HIS C C 13 175.308 0.400 . 1 . . . . . 47 HIS C . 15344 1 573 . 1 1 47 47 HIS CA C 13 56.736 0.400 . 1 . . . . . 47 HIS CA . 15344 1 574 . 1 1 47 47 HIS CB C 13 29.482 0.400 . 1 . . . . . 47 HIS CB . 15344 1 575 . 1 1 47 47 HIS CD2 C 13 123.205 0.400 . 1 . . . . . 47 HIS CD2 . 15344 1 576 . 1 1 47 47 HIS CE1 C 13 138.386 0.400 . 1 . . . . . 47 HIS CE1 . 15344 1 577 . 1 1 47 47 HIS N N 15 113.700 0.400 . 1 . . . . . 47 HIS N . 15344 1 578 . 1 1 48 48 GLY H H 1 7.543 0.020 . 1 . . . . . 48 GLY H . 15344 1 579 . 1 1 48 48 GLY HA2 H 1 4.026 0.020 . 2 . . . . . 48 GLY HA2 . 15344 1 580 . 1 1 48 48 GLY HA3 H 1 3.904 0.020 . 2 . . . . . 48 GLY HA3 . 15344 1 581 . 1 1 48 48 GLY C C 13 175.172 0.400 . 1 . . . . . 48 GLY C . 15344 1 582 . 1 1 48 48 GLY CA C 13 46.740 0.400 . 1 . . . . . 48 GLY CA . 15344 1 583 . 1 1 48 48 GLY N N 15 106.113 0.400 . 1 . . . . . 48 GLY N . 15344 1 584 . 1 1 49 49 LEU H H 1 8.803 0.020 . 1 . . . . . 49 LEU H . 15344 1 585 . 1 1 49 49 LEU HA H 1 4.090 0.020 . 1 . . . . . 49 LEU HA . 15344 1 586 . 1 1 49 49 LEU HB2 H 1 1.895 0.020 . 2 . . . . . 49 LEU HB2 . 15344 1 587 . 1 1 49 49 LEU HB3 H 1 1.435 0.020 . 2 . . . . . 49 LEU HB3 . 15344 1 588 . 1 1 49 49 LEU HD11 H 1 0.846 0.020 . 2 . . . . . 49 LEU HD1 . 15344 1 589 . 1 1 49 49 LEU HD12 H 1 0.846 0.020 . 2 . . . . . 49 LEU HD1 . 15344 1 590 . 1 1 49 49 LEU HD13 H 1 0.846 0.020 . 2 . . . . . 49 LEU HD1 . 15344 1 591 . 1 1 49 49 LEU HD21 H 1 0.690 0.020 . 2 . . . . . 49 LEU HD2 . 15344 1 592 . 1 1 49 49 LEU HD22 H 1 0.690 0.020 . 2 . . . . . 49 LEU HD2 . 15344 1 593 . 1 1 49 49 LEU HD23 H 1 0.690 0.020 . 2 . . . . . 49 LEU HD2 . 15344 1 594 . 1 1 49 49 LEU HG H 1 1.541 0.020 . 1 . . . . . 49 LEU HG . 15344 1 595 . 1 1 49 49 LEU C C 13 176.111 0.400 . 1 . . . . . 49 LEU C . 15344 1 596 . 1 1 49 49 LEU CA C 13 57.575 0.400 . 1 . . . . . 49 LEU CA . 15344 1 597 . 1 1 49 49 LEU CB C 13 42.969 0.400 . 1 . . . . . 49 LEU CB . 15344 1 598 . 1 1 49 49 LEU CD1 C 13 23.842 0.400 . 1 . . . . . 49 LEU CD1 . 15344 1 599 . 1 1 49 49 LEU CD2 C 13 25.587 0.400 . 1 . . . . . 49 LEU CD2 . 15344 1 600 . 1 1 49 49 LEU CG C 13 26.941 0.400 . 1 . . . . . 49 LEU CG . 15344 1 601 . 1 1 49 49 LEU N N 15 122.636 0.400 . 1 . . . . . 49 LEU N . 15344 1 602 . 1 1 50 50 ILE H H 1 7.257 0.020 . 1 . . . . . 50 ILE H . 15344 1 603 . 1 1 50 50 ILE HA H 1 4.689 0.020 . 1 . . . . . 50 ILE HA . 15344 1 604 . 1 1 50 50 ILE HB H 1 1.913 0.020 . 1 . . . . . 50 ILE HB . 15344 1 605 . 1 1 50 50 ILE HD11 H 1 0.747 0.020 . 1 . . . . . 50 ILE HD1 . 15344 1 606 . 1 1 50 50 ILE HD12 H 1 0.747 0.020 . 1 . . . . . 50 ILE HD1 . 15344 1 607 . 1 1 50 50 ILE HD13 H 1 0.747 0.020 . 1 . . . . . 50 ILE HD1 . 15344 1 608 . 1 1 50 50 ILE HG12 H 1 1.397 0.020 . 2 . . . . . 50 ILE HG12 . 15344 1 609 . 1 1 50 50 ILE HG13 H 1 1.397 0.020 . 2 . . . . . 50 ILE HG13 . 15344 1 610 . 1 1 50 50 ILE HG21 H 1 0.759 0.020 . 1 . . . . . 50 ILE HG2 . 15344 1 611 . 1 1 50 50 ILE HG22 H 1 0.759 0.020 . 1 . . . . . 50 ILE HG2 . 15344 1 612 . 1 1 50 50 ILE HG23 H 1 0.759 0.020 . 1 . . . . . 50 ILE HG2 . 15344 1 613 . 1 1 50 50 ILE C C 13 174.994 0.400 . 1 . . . . . 50 ILE C . 15344 1 614 . 1 1 50 50 ILE CA C 13 58.262 0.400 . 1 . . . . . 50 ILE CA . 15344 1 615 . 1 1 50 50 ILE CB C 13 41.641 0.400 . 1 . . . . . 50 ILE CB . 15344 1 616 . 1 1 50 50 ILE CD1 C 13 13.120 0.400 . 1 . . . . . 50 ILE CD1 . 15344 1 617 . 1 1 50 50 ILE CG1 C 13 25.221 0.400 . 1 . . . . . 50 ILE CG1 . 15344 1 618 . 1 1 50 50 ILE CG2 C 13 17.848 0.400 . 1 . . . . . 50 ILE CG2 . 15344 1 619 . 1 1 50 50 ILE N N 15 107.650 0.400 . 1 . . . . . 50 ILE N . 15344 1 620 . 1 1 51 51 THR H H 1 8.677 0.020 . 1 . . . . . 51 THR H . 15344 1 621 . 1 1 51 51 THR HA H 1 4.466 0.020 . 1 . . . . . 51 THR HA . 15344 1 622 . 1 1 51 51 THR HB H 1 4.675 0.020 . 1 . . . . . 51 THR HB . 15344 1 623 . 1 1 51 51 THR HG1 H 1 5.644 0.020 . 1 . . . . . 51 THR HG1 . 15344 1 624 . 1 1 51 51 THR HG21 H 1 1.305 0.020 . 1 . . . . . 51 THR HG2 . 15344 1 625 . 1 1 51 51 THR HG22 H 1 1.305 0.020 . 1 . . . . . 51 THR HG2 . 15344 1 626 . 1 1 51 51 THR HG23 H 1 1.305 0.020 . 1 . . . . . 51 THR HG2 . 15344 1 627 . 1 1 51 51 THR C C 13 175.227 0.400 . 1 . . . . . 51 THR C . 15344 1 628 . 1 1 51 51 THR CA C 13 60.728 0.400 . 1 . . . . . 51 THR CA . 15344 1 629 . 1 1 51 51 THR CB C 13 71.216 0.400 . 1 . . . . . 51 THR CB . 15344 1 630 . 1 1 51 51 THR CG2 C 13 22.095 0.400 . 1 . . . . . 51 THR CG2 . 15344 1 631 . 1 1 51 51 THR N N 15 111.798 0.400 . 1 . . . . . 51 THR N . 15344 1 632 . 1 1 52 52 GLU H H 1 9.034 0.020 . 1 . . . . . 52 GLU H . 15344 1 633 . 1 1 52 52 GLU HA H 1 3.507 0.020 . 1 . . . . . 52 GLU HA . 15344 1 634 . 1 1 52 52 GLU HB2 H 1 2.033 0.020 . 2 . . . . . 52 GLU HB2 . 15344 1 635 . 1 1 52 52 GLU HB3 H 1 1.884 0.020 . 2 . . . . . 52 GLU HB3 . 15344 1 636 . 1 1 52 52 GLU HG2 H 1 1.861 0.020 . 2 . . . . . 52 GLU HG2 . 15344 1 637 . 1 1 52 52 GLU HG3 H 1 1.805 0.020 . 2 . . . . . 52 GLU HG3 . 15344 1 638 . 1 1 52 52 GLU C C 13 177.287 0.400 . 1 . . . . . 52 GLU C . 15344 1 639 . 1 1 52 52 GLU CA C 13 60.515 0.400 . 1 . . . . . 52 GLU CA . 15344 1 640 . 1 1 52 52 GLU CB C 13 29.418 0.400 . 1 . . . . . 52 GLU CB . 15344 1 641 . 1 1 52 52 GLU CG C 13 36.757 0.400 . 1 . . . . . 52 GLU CG . 15344 1 642 . 1 1 52 52 GLU N N 15 122.067 0.400 . 1 . . . . . 52 GLU N . 15344 1 643 . 1 1 53 53 ARG H H 1 8.213 0.020 . 1 . . . . . 53 ARG H . 15344 1 644 . 1 1 53 53 ARG HA H 1 3.740 0.020 . 1 . . . . . 53 ARG HA . 15344 1 645 . 1 1 53 53 ARG HB2 H 1 1.860 0.020 . 2 . . . . . 53 ARG HB2 . 15344 1 646 . 1 1 53 53 ARG HB3 H 1 1.739 0.020 . 2 . . . . . 53 ARG HB3 . 15344 1 647 . 1 1 53 53 ARG HD2 H 1 3.226 0.020 . 2 . . . . . 53 ARG HD2 . 15344 1 648 . 1 1 53 53 ARG HD3 H 1 3.131 0.020 . 2 . . . . . 53 ARG HD3 . 15344 1 649 . 1 1 53 53 ARG HE H 1 7.149 0.020 . 1 . . . . . 53 ARG HE . 15344 1 650 . 1 1 53 53 ARG HG2 H 1 1.711 0.020 . 2 . . . . . 53 ARG HG2 . 15344 1 651 . 1 1 53 53 ARG HG3 H 1 1.549 0.020 . 2 . . . . . 53 ARG HG3 . 15344 1 652 . 1 1 53 53 ARG C C 13 177.698 0.400 . 1 . . . . . 53 ARG C . 15344 1 653 . 1 1 53 53 ARG CA C 13 58.635 0.400 . 1 . . . . . 53 ARG CA . 15344 1 654 . 1 1 53 53 ARG CB C 13 30.257 0.400 . 1 . . . . . 53 ARG CB . 15344 1 655 . 1 1 53 53 ARG CD C 13 43.167 0.400 . 1 . . . . . 53 ARG CD . 15344 1 656 . 1 1 53 53 ARG CG C 13 25.911 0.400 . 1 . . . . . 53 ARG CG . 15344 1 657 . 1 1 53 53 ARG CZ C 13 177.698 0.400 . 1 . . . . . 53 ARG CZ . 15344 1 658 . 1 1 53 53 ARG N N 15 116.853 0.400 . 1 . . . . . 53 ARG N . 15344 1 659 . 1 1 53 53 ARG NE N 15 85.159 0.400 . 1 . . . . . 53 ARG NE . 15344 1 660 . 1 1 54 54 GLU H H 1 7.747 0.020 . 1 . . . . . 54 GLU H . 15344 1 661 . 1 1 54 54 GLU HA H 1 3.978 0.020 . 1 . . . . . 54 GLU HA . 15344 1 662 . 1 1 54 54 GLU HB2 H 1 2.227 0.020 . 2 . . . . . 54 GLU HB2 . 15344 1 663 . 1 1 54 54 GLU HB3 H 1 1.849 0.020 . 2 . . . . . 54 GLU HB3 . 15344 1 664 . 1 1 54 54 GLU HG2 H 1 2.357 0.020 . 2 . . . . . 54 GLU HG2 . 15344 1 665 . 1 1 54 54 GLU HG3 H 1 2.111 0.020 . 2 . . . . . 54 GLU HG3 . 15344 1 666 . 1 1 54 54 GLU C C 13 178.915 0.400 . 1 . . . . . 54 GLU C . 15344 1 667 . 1 1 54 54 GLU CA C 13 59.312 0.400 . 1 . . . . . 54 GLU CA . 15344 1 668 . 1 1 54 54 GLU CB C 13 29.678 0.400 . 1 . . . . . 54 GLU CB . 15344 1 669 . 1 1 54 54 GLU CG C 13 37.402 0.400 . 1 . . . . . 54 GLU CG . 15344 1 670 . 1 1 54 54 GLU N N 15 118.040 0.400 . 1 . . . . . 54 GLU N . 15344 1 671 . 1 1 55 55 ALA H H 1 7.932 0.020 . 1 . . . . . 55 ALA H . 15344 1 672 . 1 1 55 55 ALA HA H 1 3.694 0.020 . 1 . . . . . 55 ALA HA . 15344 1 673 . 1 1 55 55 ALA HB1 H 1 1.013 0.020 . 1 . . . . . 55 ALA HB . 15344 1 674 . 1 1 55 55 ALA HB2 H 1 1.013 0.020 . 1 . . . . . 55 ALA HB . 15344 1 675 . 1 1 55 55 ALA HB3 H 1 1.013 0.020 . 1 . . . . . 55 ALA HB . 15344 1 676 . 1 1 55 55 ALA C C 13 178.383 0.400 . 1 . . . . . 55 ALA C . 15344 1 677 . 1 1 55 55 ALA CA C 13 55.871 0.400 . 1 . . . . . 55 ALA CA . 15344 1 678 . 1 1 55 55 ALA CB C 13 17.664 0.400 . 1 . . . . . 55 ALA CB . 15344 1 679 . 1 1 55 55 ALA N N 15 122.121 0.400 . 1 . . . . . 55 ALA N . 15344 1 680 . 1 1 56 56 LEU H H 1 8.110 0.020 . 1 . . . . . 56 LEU H . 15344 1 681 . 1 1 56 56 LEU HA H 1 3.605 0.020 . 1 . . . . . 56 LEU HA . 15344 1 682 . 1 1 56 56 LEU HB2 H 1 1.667 0.020 . 2 . . . . . 56 LEU HB2 . 15344 1 683 . 1 1 56 56 LEU HB3 H 1 1.567 0.020 . 2 . . . . . 56 LEU HB3 . 15344 1 684 . 1 1 56 56 LEU HD11 H 1 0.650 0.020 . 2 . . . . . 56 LEU HD1 . 15344 1 685 . 1 1 56 56 LEU HD12 H 1 0.650 0.020 . 2 . . . . . 56 LEU HD1 . 15344 1 686 . 1 1 56 56 LEU HD13 H 1 0.650 0.020 . 2 . . . . . 56 LEU HD1 . 15344 1 687 . 1 1 56 56 LEU HD21 H 1 0.265 0.020 . 2 . . . . . 56 LEU HD2 . 15344 1 688 . 1 1 56 56 LEU HD22 H 1 0.265 0.020 . 2 . . . . . 56 LEU HD2 . 15344 1 689 . 1 1 56 56 LEU HD23 H 1 0.265 0.020 . 2 . . . . . 56 LEU HD2 . 15344 1 690 . 1 1 56 56 LEU HG H 1 1.764 0.020 . 1 . . . . . 56 LEU HG . 15344 1 691 . 1 1 56 56 LEU C C 13 180.273 0.400 . 1 . . . . . 56 LEU C . 15344 1 692 . 1 1 56 56 LEU CA C 13 58.167 0.400 . 1 . . . . . 56 LEU CA . 15344 1 693 . 1 1 56 56 LEU CB C 13 39.563 0.400 . 1 . . . . . 56 LEU CB . 15344 1 694 . 1 1 56 56 LEU CD1 C 13 25.626 0.400 . 1 . . . . . 56 LEU CD1 . 15344 1 695 . 1 1 56 56 LEU CD2 C 13 22.757 0.400 . 1 . . . . . 56 LEU CD2 . 15344 1 696 . 1 1 56 56 LEU CG C 13 25.821 0.400 . 1 . . . . . 56 LEU CG . 15344 1 697 . 1 1 56 56 LEU N N 15 114.908 0.400 . 1 . . . . . 56 LEU N . 15344 1 698 . 1 1 57 57 ASP H H 1 8.080 0.020 . 1 . . . . . 57 ASP H . 15344 1 699 . 1 1 57 57 ASP HA H 1 4.353 0.020 . 1 . . . . . 57 ASP HA . 15344 1 700 . 1 1 57 57 ASP HB2 H 1 2.649 0.020 . 2 . . . . . 57 ASP HB2 . 15344 1 701 . 1 1 57 57 ASP HB3 H 1 2.575 0.020 . 2 . . . . . 57 ASP HB3 . 15344 1 702 . 1 1 57 57 ASP C C 13 179.121 0.400 . 1 . . . . . 57 ASP C . 15344 1 703 . 1 1 57 57 ASP CA C 13 56.644 0.400 . 1 . . . . . 57 ASP CA . 15344 1 704 . 1 1 57 57 ASP CB C 13 40.909 0.400 . 1 . . . . . 57 ASP CB . 15344 1 705 . 1 1 57 57 ASP N N 15 117.019 0.400 . 1 . . . . . 57 ASP N . 15344 1 706 . 1 1 58 58 ARG H H 1 8.584 0.020 . 1 . . . . . 58 ARG H . 15344 1 707 . 1 1 58 58 ARG HA H 1 3.728 0.020 . 1 . . . . . 58 ARG HA . 15344 1 708 . 1 1 58 58 ARG HB2 H 1 1.461 0.020 . 2 . . . . . 58 ARG HB2 . 15344 1 709 . 1 1 58 58 ARG HB3 H 1 0.986 0.020 . 2 . . . . . 58 ARG HB3 . 15344 1 710 . 1 1 58 58 ARG HD2 H 1 3.000 0.020 . 2 . . . . . 58 ARG HD2 . 15344 1 711 . 1 1 58 58 ARG HD3 H 1 2.653 0.020 . 2 . . . . . 58 ARG HD3 . 15344 1 712 . 1 1 58 58 ARG HE H 1 6.962 0.020 . 1 . . . . . 58 ARG HE . 15344 1 713 . 1 1 58 58 ARG HG2 H 1 1.373 0.020 . 2 . . . . . 58 ARG HG2 . 15344 1 714 . 1 1 58 58 ARG HG3 H 1 0.763 0.020 . 2 . . . . . 58 ARG HG3 . 15344 1 715 . 1 1 58 58 ARG C C 13 177.362 0.400 . 1 . . . . . 58 ARG C . 15344 1 716 . 1 1 58 58 ARG CA C 13 59.141 0.400 . 1 . . . . . 58 ARG CA . 15344 1 717 . 1 1 58 58 ARG CB C 13 30.462 0.400 . 1 . . . . . 58 ARG CB . 15344 1 718 . 1 1 58 58 ARG CD C 13 43.949 0.400 . 1 . . . . . 58 ARG CD . 15344 1 719 . 1 1 58 58 ARG CG C 13 27.801 0.400 . 1 . . . . . 58 ARG CG . 15344 1 720 . 1 1 58 58 ARG N N 15 119.926 0.400 . 1 . . . . . 58 ARG N . 15344 1 721 . 1 1 58 58 ARG NE N 15 82.449 0.400 . 1 . . . . . 58 ARG NE . 15344 1 722 . 1 1 59 59 TYR H H 1 7.133 0.020 . 1 . . . . . 59 TYR H . 15344 1 723 . 1 1 59 59 TYR HA H 1 5.018 0.020 . 1 . . . . . 59 TYR HA . 15344 1 724 . 1 1 59 59 TYR HB2 H 1 3.621 0.020 . 2 . . . . . 59 TYR HB2 . 15344 1 725 . 1 1 59 59 TYR HB3 H 1 2.563 0.020 . 2 . . . . . 59 TYR HB3 . 15344 1 726 . 1 1 59 59 TYR HD1 H 1 7.586 0.020 . 1 . . . . . 59 TYR HD1 . 15344 1 727 . 1 1 59 59 TYR HD2 H 1 7.569 0.020 . 1 . . . . . 59 TYR HD2 . 15344 1 728 . 1 1 59 59 TYR HE1 H 1 6.781 0.020 . 1 . . . . . 59 TYR HE1 . 15344 1 729 . 1 1 59 59 TYR HE2 H 1 6.786 0.020 . 1 . . . . . 59 TYR HE2 . 15344 1 730 . 1 1 59 59 TYR C C 13 173.865 0.400 . 1 . . . . . 59 TYR C . 15344 1 731 . 1 1 59 59 TYR CA C 13 57.348 0.400 . 1 . . . . . 59 TYR CA . 15344 1 732 . 1 1 59 59 TYR CB C 13 38.052 0.400 . 1 . . . . . 59 TYR CB . 15344 1 733 . 1 1 59 59 TYR CD1 C 13 134.137 0.400 . 1 . . . . . 59 TYR CD1 . 15344 1 734 . 1 1 59 59 TYR CD2 C 13 134.137 0.400 . 1 . . . . . 59 TYR CD2 . 15344 1 735 . 1 1 59 59 TYR CE1 C 13 118.165 0.400 . 1 . . . . . 59 TYR CE1 . 15344 1 736 . 1 1 59 59 TYR CE2 C 13 118.142 0.400 . 1 . . . . . 59 TYR CE2 . 15344 1 737 . 1 1 59 59 TYR N N 15 111.796 0.400 . 1 . . . . . 59 TYR N . 15344 1 738 . 1 1 60 60 SER H H 1 7.542 0.020 . 1 . . . . . 60 SER H . 15344 1 739 . 1 1 60 60 SER HA H 1 4.082 0.020 . 1 . . . . . 60 SER HA . 15344 1 740 . 1 1 60 60 SER HB2 H 1 4.091 0.020 . 2 . . . . . 60 SER HB2 . 15344 1 741 . 1 1 60 60 SER HB3 H 1 4.058 0.020 . 2 . . . . . 60 SER HB3 . 15344 1 742 . 1 1 60 60 SER C C 13 176.402 0.400 . 1 . . . . . 60 SER C . 15344 1 743 . 1 1 60 60 SER CA C 13 58.482 0.400 . 1 . . . . . 60 SER CA . 15344 1 744 . 1 1 60 60 SER CB C 13 61.229 0.400 . 1 . . . . . 60 SER CB . 15344 1 745 . 1 1 60 60 SER N N 15 114.624 0.400 . 1 . . . . . 60 SER N . 15344 1 746 . 1 1 61 61 LEU H H 1 8.228 0.020 . 1 . . . . . 61 LEU H . 15344 1 747 . 1 1 61 61 LEU HA H 1 4.583 0.020 . 1 . . . . . 61 LEU HA . 15344 1 748 . 1 1 61 61 LEU HB2 H 1 1.325 0.020 . 2 . . . . . 61 LEU HB2 . 15344 1 749 . 1 1 61 61 LEU HB3 H 1 1.041 0.020 . 2 . . . . . 61 LEU HB3 . 15344 1 750 . 1 1 61 61 LEU HD11 H 1 -0.143 0.020 . 2 . . . . . 61 LEU HD1 . 15344 1 751 . 1 1 61 61 LEU HD12 H 1 -0.143 0.020 . 2 . . . . . 61 LEU HD1 . 15344 1 752 . 1 1 61 61 LEU HD13 H 1 -0.143 0.020 . 2 . . . . . 61 LEU HD1 . 15344 1 753 . 1 1 61 61 LEU HD21 H 1 0.200 0.020 . 2 . . . . . 61 LEU HD2 . 15344 1 754 . 1 1 61 61 LEU HD22 H 1 0.200 0.020 . 2 . . . . . 61 LEU HD2 . 15344 1 755 . 1 1 61 61 LEU HD23 H 1 0.200 0.020 . 2 . . . . . 61 LEU HD2 . 15344 1 756 . 1 1 61 61 LEU HG H 1 1.252 0.020 . 1 . . . . . 61 LEU HG . 15344 1 757 . 1 1 61 61 LEU C C 13 176.463 0.400 . 1 . . . . . 61 LEU C . 15344 1 758 . 1 1 61 61 LEU CA C 13 52.478 0.400 . 1 . . . . . 61 LEU CA . 15344 1 759 . 1 1 61 61 LEU CB C 13 45.873 0.400 . 1 . . . . . 61 LEU CB . 15344 1 760 . 1 1 61 61 LEU CD1 C 13 24.948 0.400 . 1 . . . . . 61 LEU CD1 . 15344 1 761 . 1 1 61 61 LEU CD2 C 13 22.685 0.400 . 1 . . . . . 61 LEU CD2 . 15344 1 762 . 1 1 61 61 LEU CG C 13 26.201 0.400 . 1 . . . . . 61 LEU CG . 15344 1 763 . 1 1 61 61 LEU N N 15 119.424 0.400 . 1 . . . . . 61 LEU N . 15344 1 764 . 1 1 62 62 SER H H 1 8.376 0.020 . 1 . . . . . 62 SER H . 15344 1 765 . 1 1 62 62 SER HA H 1 4.555 0.020 . 1 . . . . . 62 SER HA . 15344 1 766 . 1 1 62 62 SER HB2 H 1 4.375 0.020 . 2 . . . . . 62 SER HB2 . 15344 1 767 . 1 1 62 62 SER HB3 H 1 3.969 0.020 . 2 . . . . . 62 SER HB3 . 15344 1 768 . 1 1 62 62 SER C C 13 175.088 0.400 . 1 . . . . . 62 SER C . 15344 1 769 . 1 1 62 62 SER CA C 13 56.123 0.400 . 1 . . . . . 62 SER CA . 15344 1 770 . 1 1 62 62 SER CB C 13 65.560 0.400 . 1 . . . . . 62 SER CB . 15344 1 771 . 1 1 62 62 SER N N 15 115.890 0.400 . 1 . . . . . 62 SER N . 15344 1 772 . 1 1 63 63 GLU H H 1 9.204 0.020 . 1 . . . . . 63 GLU H . 15344 1 773 . 1 1 63 63 GLU HA H 1 3.806 0.020 . 1 . . . . . 63 GLU HA . 15344 1 774 . 1 1 63 63 GLU HB2 H 1 1.981 0.020 . 2 . . . . . 63 GLU HB2 . 15344 1 775 . 1 1 63 63 GLU HB3 H 1 1.981 0.020 . 2 . . . . . 63 GLU HB3 . 15344 1 776 . 1 1 63 63 GLU HG2 H 1 2.297 0.020 . 2 . . . . . 63 GLU HG2 . 15344 1 777 . 1 1 63 63 GLU HG3 H 1 2.297 0.020 . 2 . . . . . 63 GLU HG3 . 15344 1 778 . 1 1 63 63 GLU C C 13 179.412 0.400 . 1 . . . . . 63 GLU C . 15344 1 779 . 1 1 63 63 GLU CA C 13 60.338 0.400 . 1 . . . . . 63 GLU CA . 15344 1 780 . 1 1 63 63 GLU CB C 13 29.354 0.400 . 1 . . . . . 63 GLU CB . 15344 1 781 . 1 1 63 63 GLU CG C 13 36.972 0.400 . 1 . . . . . 63 GLU CG . 15344 1 782 . 1 1 63 63 GLU N N 15 122.263 0.400 . 1 . . . . . 63 GLU N . 15344 1 783 . 1 1 64 64 GLU H H 1 8.859 0.020 . 1 . . . . . 64 GLU H . 15344 1 784 . 1 1 64 64 GLU HA H 1 3.969 0.020 . 1 . . . . . 64 GLU HA . 15344 1 785 . 1 1 64 64 GLU HB2 H 1 2.029 0.020 . 2 . . . . . 64 GLU HB2 . 15344 1 786 . 1 1 64 64 GLU HB3 H 1 1.896 0.020 . 2 . . . . . 64 GLU HB3 . 15344 1 787 . 1 1 64 64 GLU HG2 H 1 2.342 0.020 . 2 . . . . . 64 GLU HG2 . 15344 1 788 . 1 1 64 64 GLU HG3 H 1 2.264 0.020 . 2 . . . . . 64 GLU HG3 . 15344 1 789 . 1 1 64 64 GLU C C 13 178.700 0.400 . 1 . . . . . 64 GLU C . 15344 1 790 . 1 1 64 64 GLU CA C 13 59.822 0.400 . 1 . . . . . 64 GLU CA . 15344 1 791 . 1 1 64 64 GLU CB C 13 29.210 0.400 . 1 . . . . . 64 GLU CB . 15344 1 792 . 1 1 64 64 GLU CG C 13 36.666 0.400 . 1 . . . . . 64 GLU CG . 15344 1 793 . 1 1 64 64 GLU N N 15 119.056 0.400 . 1 . . . . . 64 GLU N . 15344 1 794 . 1 1 65 65 GLU H H 1 7.864 0.020 . 1 . . . . . 65 GLU H . 15344 1 795 . 1 1 65 65 GLU HA H 1 3.960 0.020 . 1 . . . . . 65 GLU HA . 15344 1 796 . 1 1 65 65 GLU HB2 H 1 2.010 0.020 . 2 . . . . . 65 GLU HB2 . 15344 1 797 . 1 1 65 65 GLU HB3 H 1 1.658 0.020 . 2 . . . . . 65 GLU HB3 . 15344 1 798 . 1 1 65 65 GLU HG2 H 1 2.094 0.020 . 2 . . . . . 65 GLU HG2 . 15344 1 799 . 1 1 65 65 GLU HG3 H 1 1.968 0.020 . 2 . . . . . 65 GLU HG3 . 15344 1 800 . 1 1 65 65 GLU C C 13 177.783 0.400 . 1 . . . . . 65 GLU C . 15344 1 801 . 1 1 65 65 GLU CA C 13 58.817 0.400 . 1 . . . . . 65 GLU CA . 15344 1 802 . 1 1 65 65 GLU CB C 13 29.452 0.400 . 1 . . . . . 65 GLU CB . 15344 1 803 . 1 1 65 65 GLU CG C 13 35.474 0.400 . 1 . . . . . 65 GLU CG . 15344 1 804 . 1 1 65 65 GLU N N 15 121.783 0.400 . 1 . . . . . 65 GLU N . 15344 1 805 . 1 1 66 66 PHE H H 1 7.918 0.020 . 1 . . . . . 66 PHE H . 15344 1 806 . 1 1 66 66 PHE HA H 1 3.294 0.020 . 1 . . . . . 66 PHE HA . 15344 1 807 . 1 1 66 66 PHE HB2 H 1 2.711 0.020 . 2 . . . . . 66 PHE HB2 . 15344 1 808 . 1 1 66 66 PHE HB3 H 1 2.464 0.020 . 2 . . . . . 66 PHE HB3 . 15344 1 809 . 1 1 66 66 PHE HD1 H 1 6.817 0.020 . 1 . . . . . 66 PHE HD1 . 15344 1 810 . 1 1 66 66 PHE HD2 H 1 6.817 0.020 . 1 . . . . . 66 PHE HD2 . 15344 1 811 . 1 1 66 66 PHE HE1 H 1 7.131 0.020 . 1 . . . . . 66 PHE HE1 . 15344 1 812 . 1 1 66 66 PHE HE2 H 1 7.131 0.020 . 1 . . . . . 66 PHE HE2 . 15344 1 813 . 1 1 66 66 PHE HZ H 1 7.017 0.020 . 1 . . . . . 66 PHE HZ . 15344 1 814 . 1 1 66 66 PHE C C 13 177.021 0.400 . 1 . . . . . 66 PHE C . 15344 1 815 . 1 1 66 66 PHE CA C 13 61.197 0.400 . 1 . . . . . 66 PHE CA . 15344 1 816 . 1 1 66 66 PHE CB C 13 39.279 0.400 . 1 . . . . . 66 PHE CB . 15344 1 817 . 1 1 66 66 PHE CD1 C 13 131.849 0.400 . 1 . . . . . 66 PHE CD1 . 15344 1 818 . 1 1 66 66 PHE CE1 C 13 130.236 0.400 . 1 . . . . . 66 PHE CE1 . 15344 1 819 . 1 1 66 66 PHE CZ C 13 128.302 0.400 . 1 . . . . . 66 PHE CZ . 15344 1 820 . 1 1 66 66 PHE N N 15 117.902 0.400 . 1 . . . . . 66 PHE N . 15344 1 821 . 1 1 67 67 ALA H H 1 8.011 0.020 . 1 . . . . . 67 ALA H . 15344 1 822 . 1 1 67 67 ALA HA H 1 3.839 0.020 . 1 . . . . . 67 ALA HA . 15344 1 823 . 1 1 67 67 ALA HB1 H 1 1.455 0.020 . 1 . . . . . 67 ALA HB . 15344 1 824 . 1 1 67 67 ALA HB2 H 1 1.455 0.020 . 1 . . . . . 67 ALA HB . 15344 1 825 . 1 1 67 67 ALA HB3 H 1 1.455 0.020 . 1 . . . . . 67 ALA HB . 15344 1 826 . 1 1 67 67 ALA C C 13 181.069 0.400 . 1 . . . . . 67 ALA C . 15344 1 827 . 1 1 67 67 ALA CA C 13 55.296 0.400 . 1 . . . . . 67 ALA CA . 15344 1 828 . 1 1 67 67 ALA CB C 13 17.648 0.400 . 1 . . . . . 67 ALA CB . 15344 1 829 . 1 1 67 67 ALA N N 15 119.951 0.400 . 1 . . . . . 67 ALA N . 15344 1 830 . 1 1 68 68 LEU H H 1 7.431 0.020 . 1 . . . . . 68 LEU H . 15344 1 831 . 1 1 68 68 LEU HA H 1 4.162 0.020 . 1 . . . . . 68 LEU HA . 15344 1 832 . 1 1 68 68 LEU HB2 H 1 2.140 0.020 . 2 . . . . . 68 LEU HB2 . 15344 1 833 . 1 1 68 68 LEU HB3 H 1 1.717 0.020 . 2 . . . . . 68 LEU HB3 . 15344 1 834 . 1 1 68 68 LEU HD11 H 1 0.934 0.020 . 2 . . . . . 68 LEU HD1 . 15344 1 835 . 1 1 68 68 LEU HD12 H 1 0.934 0.020 . 2 . . . . . 68 LEU HD1 . 15344 1 836 . 1 1 68 68 LEU HD13 H 1 0.934 0.020 . 2 . . . . . 68 LEU HD1 . 15344 1 837 . 1 1 68 68 LEU HD21 H 1 0.898 0.020 . 2 . . . . . 68 LEU HD2 . 15344 1 838 . 1 1 68 68 LEU HD22 H 1 0.898 0.020 . 2 . . . . . 68 LEU HD2 . 15344 1 839 . 1 1 68 68 LEU HD23 H 1 0.898 0.020 . 2 . . . . . 68 LEU HD2 . 15344 1 840 . 1 1 68 68 LEU HG H 1 1.825 0.020 . 1 . . . . . 68 LEU HG . 15344 1 841 . 1 1 68 68 LEU C C 13 180.631 0.400 . 1 . . . . . 68 LEU C . 15344 1 842 . 1 1 68 68 LEU CA C 13 57.621 0.400 . 1 . . . . . 68 LEU CA . 15344 1 843 . 1 1 68 68 LEU CB C 13 41.083 0.400 . 1 . . . . . 68 LEU CB . 15344 1 844 . 1 1 68 68 LEU CD1 C 13 25.150 0.400 . 1 . . . . . 68 LEU CD1 . 15344 1 845 . 1 1 68 68 LEU CD2 C 13 23.450 0.400 . 1 . . . . . 68 LEU CD2 . 15344 1 846 . 1 1 68 68 LEU CG C 13 26.694 0.400 . 1 . . . . . 68 LEU CG . 15344 1 847 . 1 1 68 68 LEU N N 15 119.888 0.400 . 1 . . . . . 68 LEU N . 15344 1 848 . 1 1 69 69 TRP H H 1 8.288 0.020 . 1 . . . . . 69 TRP H . 15344 1 849 . 1 1 69 69 TRP HA H 1 4.341 0.020 . 1 . . . . . 69 TRP HA . 15344 1 850 . 1 1 69 69 TRP HB2 H 1 3.057 0.020 . 2 . . . . . 69 TRP HB2 . 15344 1 851 . 1 1 69 69 TRP HB3 H 1 2.751 0.020 . 2 . . . . . 69 TRP HB3 . 15344 1 852 . 1 1 69 69 TRP HD1 H 1 6.939 0.020 . 1 . . . . . 69 TRP HD1 . 15344 1 853 . 1 1 69 69 TRP HE1 H 1 10.308 0.020 . 1 . . . . . 69 TRP HE1 . 15344 1 854 . 1 1 69 69 TRP HE3 H 1 7.150 0.020 . 1 . . . . . 69 TRP HE3 . 15344 1 855 . 1 1 69 69 TRP HH2 H 1 4.530 0.020 . 1 . . . . . 69 TRP HH2 . 15344 1 856 . 1 1 69 69 TRP HZ2 H 1 6.417 0.020 . 1 . . . . . 69 TRP HZ2 . 15344 1 857 . 1 1 69 69 TRP HZ3 H 1 6.124 0.020 . 1 . . . . . 69 TRP HZ3 . 15344 1 858 . 1 1 69 69 TRP C C 13 179.178 0.400 . 1 . . . . . 69 TRP C . 15344 1 859 . 1 1 69 69 TRP CA C 13 59.228 0.400 . 1 . . . . . 69 TRP CA . 15344 1 860 . 1 1 69 69 TRP CB C 13 28.387 0.400 . 1 . . . . . 69 TRP CB . 15344 1 861 . 1 1 69 69 TRP CD1 C 13 124.678 0.400 . 1 . . . . . 69 TRP CD1 . 15344 1 862 . 1 1 69 69 TRP CE3 C 13 118.753 0.400 . 1 . . . . . 69 TRP CE3 . 15344 1 863 . 1 1 69 69 TRP CH2 C 13 125.782 0.400 . 1 . . . . . 69 TRP CH2 . 15344 1 864 . 1 1 69 69 TRP CZ2 C 13 113.766 0.400 . 1 . . . . . 69 TRP CZ2 . 15344 1 865 . 1 1 69 69 TRP CZ3 C 13 120.790 0.400 . 1 . . . . . 69 TRP CZ3 . 15344 1 866 . 1 1 69 69 TRP N N 15 122.616 0.400 . 1 . . . . . 69 TRP N . 15344 1 867 . 1 1 69 69 TRP NE1 N 15 127.557 0.400 . 1 . . . . . 69 TRP NE1 . 15344 1 868 . 1 1 70 70 ARG H H 1 8.291 0.020 . 1 . . . . . 70 ARG H . 15344 1 869 . 1 1 70 70 ARG HA H 1 3.743 0.020 . 1 . . . . . 70 ARG HA . 15344 1 870 . 1 1 70 70 ARG HB2 H 1 1.747 0.020 . 2 . . . . . 70 ARG HB2 . 15344 1 871 . 1 1 70 70 ARG HB3 H 1 1.511 0.020 . 2 . . . . . 70 ARG HB3 . 15344 1 872 . 1 1 70 70 ARG HD2 H 1 3.063 0.020 . 2 . . . . . 70 ARG HD2 . 15344 1 873 . 1 1 70 70 ARG HD3 H 1 3.063 0.020 . 2 . . . . . 70 ARG HD3 . 15344 1 874 . 1 1 70 70 ARG HE H 1 7.205 0.020 . 1 . . . . . 70 ARG HE . 15344 1 875 . 1 1 70 70 ARG HG2 H 1 1.300 0.020 . 2 . . . . . 70 ARG HG2 . 15344 1 876 . 1 1 70 70 ARG HG3 H 1 1.300 0.020 . 2 . . . . . 70 ARG HG3 . 15344 1 877 . 1 1 70 70 ARG C C 13 178.811 0.400 . 1 . . . . . 70 ARG C . 15344 1 878 . 1 1 70 70 ARG CA C 13 59.614 0.400 . 1 . . . . . 70 ARG CA . 15344 1 879 . 1 1 70 70 ARG CB C 13 30.171 0.400 . 1 . . . . . 70 ARG CB . 15344 1 880 . 1 1 70 70 ARG CD C 13 43.864 0.400 . 1 . . . . . 70 ARG CD . 15344 1 881 . 1 1 70 70 ARG CG C 13 27.775 0.400 . 1 . . . . . 70 ARG CG . 15344 1 882 . 1 1 70 70 ARG N N 15 117.864 0.400 . 1 . . . . . 70 ARG N . 15344 1 883 . 1 1 70 70 ARG NE N 15 83.926 0.400 . 1 . . . . . 70 ARG NE . 15344 1 884 . 1 1 71 71 SER H H 1 8.000 0.020 . 1 . . . . . 71 SER H . 15344 1 885 . 1 1 71 71 SER HA H 1 4.212 0.020 . 1 . . . . . 71 SER HA . 15344 1 886 . 1 1 71 71 SER HB2 H 1 3.957 0.020 . 2 . . . . . 71 SER HB2 . 15344 1 887 . 1 1 71 71 SER HB3 H 1 3.971 0.020 . 2 . . . . . 71 SER HB3 . 15344 1 888 . 1 1 71 71 SER C C 13 176.074 0.400 . 1 . . . . . 71 SER C . 15344 1 889 . 1 1 71 71 SER CA C 13 61.074 0.400 . 1 . . . . . 71 SER CA . 15344 1 890 . 1 1 71 71 SER CB C 13 62.891 0.400 . 1 . . . . . 71 SER CB . 15344 1 891 . 1 1 71 71 SER N N 15 114.582 0.400 . 1 . . . . . 71 SER N . 15344 1 892 . 1 1 72 72 ALA H H 1 7.816 0.020 . 1 . . . . . 72 ALA H . 15344 1 893 . 1 1 72 72 ALA HA H 1 4.230 0.020 . 1 . . . . . 72 ALA HA . 15344 1 894 . 1 1 72 72 ALA HB1 H 1 1.481 0.020 . 1 . . . . . 72 ALA HB . 15344 1 895 . 1 1 72 72 ALA HB2 H 1 1.481 0.020 . 1 . . . . . 72 ALA HB . 15344 1 896 . 1 1 72 72 ALA HB3 H 1 1.481 0.020 . 1 . . . . . 72 ALA HB . 15344 1 897 . 1 1 72 72 ALA C C 13 179.631 0.400 . 1 . . . . . 72 ALA C . 15344 1 898 . 1 1 72 72 ALA CA C 13 54.245 0.400 . 1 . . . . . 72 ALA CA . 15344 1 899 . 1 1 72 72 ALA CB C 13 18.687 0.400 . 1 . . . . . 72 ALA CB . 15344 1 900 . 1 1 72 72 ALA N N 15 124.141 0.400 . 1 . . . . . 72 ALA N . 15344 1 901 . 1 1 73 73 VAL H H 1 7.728 0.020 . 1 . . . . . 73 VAL H . 15344 1 902 . 1 1 73 73 VAL HA H 1 3.850 0.020 . 1 . . . . . 73 VAL HA . 15344 1 903 . 1 1 73 73 VAL HB H 1 2.089 0.020 . 1 . . . . . 73 VAL HB . 15344 1 904 . 1 1 73 73 VAL HG11 H 1 0.904 0.020 . 2 . . . . . 73 VAL HG1 . 15344 1 905 . 1 1 73 73 VAL HG12 H 1 0.904 0.020 . 2 . . . . . 73 VAL HG1 . 15344 1 906 . 1 1 73 73 VAL HG13 H 1 0.904 0.020 . 2 . . . . . 73 VAL HG1 . 15344 1 907 . 1 1 73 73 VAL HG21 H 1 0.969 0.020 . 2 . . . . . 73 VAL HG2 . 15344 1 908 . 1 1 73 73 VAL HG22 H 1 0.969 0.020 . 2 . . . . . 73 VAL HG2 . 15344 1 909 . 1 1 73 73 VAL HG23 H 1 0.969 0.020 . 2 . . . . . 73 VAL HG2 . 15344 1 910 . 1 1 73 73 VAL C C 13 177.286 0.400 . 1 . . . . . 73 VAL C . 15344 1 911 . 1 1 73 73 VAL CA C 13 64.163 0.400 . 1 . . . . . 73 VAL CA . 15344 1 912 . 1 1 73 73 VAL CB C 13 32.466 0.400 . 1 . . . . . 73 VAL CB . 15344 1 913 . 1 1 73 73 VAL CG1 C 13 21.170 0.400 . 1 . . . . . 73 VAL CG1 . 15344 1 914 . 1 1 73 73 VAL CG2 C 13 22.108 0.400 . 1 . . . . . 73 VAL CG2 . 15344 1 915 . 1 1 73 73 VAL N N 15 117.289 0.400 . 1 . . . . . 73 VAL N . 15344 1 916 . 1 1 74 74 ALA H H 1 7.960 0.020 . 1 . . . . . 74 ALA H . 15344 1 917 . 1 1 74 74 ALA HA H 1 4.195 0.020 . 1 . . . . . 74 ALA HA . 15344 1 918 . 1 1 74 74 ALA HB1 H 1 1.399 0.020 . 1 . . . . . 74 ALA HB . 15344 1 919 . 1 1 74 74 ALA HB2 H 1 1.399 0.020 . 1 . . . . . 74 ALA HB . 15344 1 920 . 1 1 74 74 ALA HB3 H 1 1.399 0.020 . 1 . . . . . 74 ALA HB . 15344 1 921 . 1 1 74 74 ALA C C 13 178.318 0.400 . 1 . . . . . 74 ALA C . 15344 1 922 . 1 1 74 74 ALA CA C 13 53.559 0.400 . 1 . . . . . 74 ALA CA . 15344 1 923 . 1 1 74 74 ALA CB C 13 18.612 0.400 . 1 . . . . . 74 ALA CB . 15344 1 924 . 1 1 74 74 ALA N N 15 123.977 0.400 . 1 . . . . . 74 ALA N . 15344 1 925 . 1 1 75 75 ALA H H 1 7.889 0.020 . 1 . . . . . 75 ALA H . 15344 1 926 . 1 1 75 75 ALA HA H 1 4.214 0.020 . 1 . . . . . 75 ALA HA . 15344 1 927 . 1 1 75 75 ALA HB1 H 1 1.347 0.020 . 1 . . . . . 75 ALA HB . 15344 1 928 . 1 1 75 75 ALA HB2 H 1 1.347 0.020 . 1 . . . . . 75 ALA HB . 15344 1 929 . 1 1 75 75 ALA HB3 H 1 1.347 0.020 . 1 . . . . . 75 ALA HB . 15344 1 930 . 1 1 75 75 ALA C C 13 178.233 0.400 . 1 . . . . . 75 ALA C . 15344 1 931 . 1 1 75 75 ALA CA C 13 53.242 0.400 . 1 . . . . . 75 ALA CA . 15344 1 932 . 1 1 75 75 ALA CB C 13 18.812 0.400 . 1 . . . . . 75 ALA CB . 15344 1 933 . 1 1 75 75 ALA N N 15 120.956 0.400 . 1 . . . . . 75 ALA N . 15344 1 934 . 1 1 76 76 HIS H H 1 8.057 0.020 . 1 . . . . . 76 HIS H . 15344 1 935 . 1 1 76 76 HIS HA H 1 4.585 0.020 . 1 . . . . . 76 HIS HA . 15344 1 936 . 1 1 76 76 HIS HB2 H 1 3.235 0.020 . 2 . . . . . 76 HIS HB2 . 15344 1 937 . 1 1 76 76 HIS HB3 H 1 3.127 0.020 . 2 . . . . . 76 HIS HB3 . 15344 1 938 . 1 1 76 76 HIS HD2 H 1 7.094 0.020 . 1 . . . . . 76 HIS HD2 . 15344 1 939 . 1 1 76 76 HIS C C 13 176.217 0.400 . 1 . . . . . 76 HIS C . 15344 1 940 . 1 1 76 76 HIS CA C 13 56.644 0.400 . 1 . . . . . 76 HIS CA . 15344 1 941 . 1 1 76 76 HIS CB C 13 30.282 0.400 . 1 . . . . . 76 HIS CB . 15344 1 942 . 1 1 76 76 HIS CD2 C 13 120.075 0.400 . 1 . . . . . 76 HIS CD2 . 15344 1 943 . 1 1 76 76 HIS N N 15 117.302 0.400 . 1 . . . . . 76 HIS N . 15344 1 944 . 1 1 77 77 GLY H H 1 8.229 0.020 . 1 . . . . . 77 GLY H . 15344 1 945 . 1 1 77 77 GLY HA2 H 1 3.951 0.020 . 2 . . . . . 77 GLY HA2 . 15344 1 946 . 1 1 77 77 GLY HA3 H 1 3.951 0.020 . 2 . . . . . 77 GLY HA3 . 15344 1 947 . 1 1 77 77 GLY C C 13 174.415 0.400 . 1 . . . . . 77 GLY C . 15344 1 948 . 1 1 77 77 GLY CA C 13 45.560 0.400 . 1 . . . . . 77 GLY CA . 15344 1 949 . 1 1 77 77 GLY N N 15 109.118 0.400 . 1 . . . . . 77 GLY N . 15344 1 950 . 1 1 78 78 GLU H H 1 8.335 0.020 . 1 . . . . . 78 GLU H . 15344 1 951 . 1 1 78 78 GLU HA H 1 4.210 0.020 . 1 . . . . . 78 GLU HA . 15344 1 952 . 1 1 78 78 GLU HB2 H 1 2.038 0.020 . 2 . . . . . 78 GLU HB2 . 15344 1 953 . 1 1 78 78 GLU HB3 H 1 1.964 0.020 . 2 . . . . . 78 GLU HB3 . 15344 1 954 . 1 1 78 78 GLU HG2 H 1 2.277 0.020 . 2 . . . . . 78 GLU HG2 . 15344 1 955 . 1 1 78 78 GLU HG3 H 1 2.234 0.020 . 2 . . . . . 78 GLU HG3 . 15344 1 956 . 1 1 78 78 GLU C C 13 177.052 0.400 . 1 . . . . . 78 GLU C . 15344 1 957 . 1 1 78 78 GLU CA C 13 56.836 0.400 . 1 . . . . . 78 GLU CA . 15344 1 958 . 1 1 78 78 GLU CB C 13 30.136 0.400 . 1 . . . . . 78 GLU CB . 15344 1 959 . 1 1 78 78 GLU CG C 13 36.295 0.400 . 1 . . . . . 78 GLU CG . 15344 1 960 . 1 1 78 78 GLU N N 15 120.947 0.400 . 1 . . . . . 78 GLU N . 15344 1 961 . 1 1 79 79 LYS H H 1 8.299 0.020 . 1 . . . . . 79 LYS H . 15344 1 962 . 1 1 79 79 LYS HA H 1 4.205 0.020 . 1 . . . . . 79 LYS HA . 15344 1 963 . 1 1 79 79 LYS HB2 H 1 1.798 0.020 . 2 . . . . . 79 LYS HB2 . 15344 1 964 . 1 1 79 79 LYS HB3 H 1 1.798 0.020 . 2 . . . . . 79 LYS HB3 . 15344 1 965 . 1 1 79 79 LYS HD2 H 1 1.665 0.020 . 2 . . . . . 79 LYS HD2 . 15344 1 966 . 1 1 79 79 LYS HD3 H 1 1.665 0.020 . 2 . . . . . 79 LYS HD3 . 15344 1 967 . 1 1 79 79 LYS HE2 H 1 2.975 0.020 . 2 . . . . . 79 LYS HE2 . 15344 1 968 . 1 1 79 79 LYS HE3 H 1 2.975 0.020 . 2 . . . . . 79 LYS HE3 . 15344 1 969 . 1 1 79 79 LYS HG2 H 1 1.450 0.020 . 2 . . . . . 79 LYS HG2 . 15344 1 970 . 1 1 79 79 LYS HG3 H 1 1.369 0.020 . 2 . . . . . 79 LYS HG3 . 15344 1 971 . 1 1 79 79 LYS C C 13 176.656 0.400 . 1 . . . . . 79 LYS C . 15344 1 972 . 1 1 79 79 LYS CA C 13 57.057 0.400 . 1 . . . . . 79 LYS CA . 15344 1 973 . 1 1 79 79 LYS CB C 13 32.811 0.400 . 1 . . . . . 79 LYS CB . 15344 1 974 . 1 1 79 79 LYS CD C 13 29.207 0.400 . 1 . . . . . 79 LYS CD . 15344 1 975 . 1 1 79 79 LYS CE C 13 42.192 0.400 . 1 . . . . . 79 LYS CE . 15344 1 976 . 1 1 79 79 LYS CG C 13 24.844 0.400 . 1 . . . . . 79 LYS CG . 15344 1 977 . 1 1 79 79 LYS N N 15 121.638 0.400 . 1 . . . . . 79 LYS N . 15344 1 978 . 1 1 80 80 ALA H H 1 8.142 0.020 . 1 . . . . . 80 ALA H . 15344 1 979 . 1 1 80 80 ALA HA H 1 4.245 0.020 . 1 . . . . . 80 ALA HA . 15344 1 980 . 1 1 80 80 ALA HB1 H 1 1.351 0.020 . 1 . . . . . 80 ALA HB . 15344 1 981 . 1 1 80 80 ALA HB2 H 1 1.351 0.020 . 1 . . . . . 80 ALA HB . 15344 1 982 . 1 1 80 80 ALA HB3 H 1 1.351 0.020 . 1 . . . . . 80 ALA HB . 15344 1 983 . 1 1 80 80 ALA C C 13 177.868 0.400 . 1 . . . . . 80 ALA C . 15344 1 984 . 1 1 80 80 ALA CA C 13 52.706 0.400 . 1 . . . . . 80 ALA CA . 15344 1 985 . 1 1 80 80 ALA CB C 13 19.117 0.400 . 1 . . . . . 80 ALA CB . 15344 1 986 . 1 1 80 80 ALA N N 15 123.770 0.400 . 1 . . . . . 80 ALA N . 15344 1 987 . 1 1 81 81 LEU H H 1 8.040 0.020 . 1 . . . . . 81 LEU H . 15344 1 988 . 1 1 81 81 LEU HA H 1 4.245 0.020 . 1 . . . . . 81 LEU HA . 15344 1 989 . 1 1 81 81 LEU HB2 H 1 1.654 0.020 . 2 . . . . . 81 LEU HB2 . 15344 1 990 . 1 1 81 81 LEU HB3 H 1 1.556 0.020 . 2 . . . . . 81 LEU HB3 . 15344 1 991 . 1 1 81 81 LEU HD11 H 1 0.881 0.020 . 2 . . . . . 81 LEU HD1 . 15344 1 992 . 1 1 81 81 LEU HD12 H 1 0.881 0.020 . 2 . . . . . 81 LEU HD1 . 15344 1 993 . 1 1 81 81 LEU HD13 H 1 0.881 0.020 . 2 . . . . . 81 LEU HD1 . 15344 1 994 . 1 1 81 81 LEU HD21 H 1 0.840 0.020 . 2 . . . . . 81 LEU HD2 . 15344 1 995 . 1 1 81 81 LEU HD22 H 1 0.840 0.020 . 2 . . . . . 81 LEU HD2 . 15344 1 996 . 1 1 81 81 LEU HD23 H 1 0.840 0.020 . 2 . . . . . 81 LEU HD2 . 15344 1 997 . 1 1 81 81 LEU HG H 1 1.607 0.020 . 1 . . . . . 81 LEU HG . 15344 1 998 . 1 1 81 81 LEU C C 13 177.434 0.400 . 1 . . . . . 81 LEU C . 15344 1 999 . 1 1 81 81 LEU CA C 13 55.673 0.400 . 1 . . . . . 81 LEU CA . 15344 1 1000 . 1 1 81 81 LEU CB C 13 42.160 0.400 . 1 . . . . . 81 LEU CB . 15344 1 1001 . 1 1 81 81 LEU CD1 C 13 24.957 0.400 . 1 . . . . . 81 LEU CD1 . 15344 1 1002 . 1 1 81 81 LEU CD2 C 13 23.704 0.400 . 1 . . . . . 81 LEU CD2 . 15344 1 1003 . 1 1 81 81 LEU CG C 13 27.150 0.400 . 1 . . . . . 81 LEU CG . 15344 1 1004 . 1 1 81 81 LEU N N 15 120.893 0.400 . 1 . . . . . 81 LEU N . 15344 1 1005 . 1 1 82 82 LYS H H 1 8.178 0.020 . 1 . . . . . 82 LYS H . 15344 1 1006 . 1 1 82 82 LYS HA H 1 4.283 0.020 . 1 . . . . . 82 LYS HA . 15344 1 1007 . 1 1 82 82 LYS HB2 H 1 1.811 0.020 . 2 . . . . . 82 LYS HB2 . 15344 1 1008 . 1 1 82 82 LYS HB3 H 1 1.763 0.020 . 2 . . . . . 82 LYS HB3 . 15344 1 1009 . 1 1 82 82 LYS HD2 H 1 1.657 0.020 . 2 . . . . . 82 LYS HD2 . 15344 1 1010 . 1 1 82 82 LYS HD3 H 1 1.657 0.020 . 2 . . . . . 82 LYS HD3 . 15344 1 1011 . 1 1 82 82 LYS HE2 H 1 2.962 0.020 . 2 . . . . . 82 LYS HE2 . 15344 1 1012 . 1 1 82 82 LYS HE3 H 1 2.962 0.020 . 2 . . . . . 82 LYS HE3 . 15344 1 1013 . 1 1 82 82 LYS HG2 H 1 1.456 0.020 . 2 . . . . . 82 LYS HG2 . 15344 1 1014 . 1 1 82 82 LYS HG3 H 1 1.396 0.020 . 2 . . . . . 82 LYS HG3 . 15344 1 1015 . 1 1 82 82 LYS C C 13 176.810 0.400 . 1 . . . . . 82 LYS C . 15344 1 1016 . 1 1 82 82 LYS CA C 13 56.715 0.400 . 1 . . . . . 82 LYS CA . 15344 1 1017 . 1 1 82 82 LYS CB C 13 32.846 0.400 . 1 . . . . . 82 LYS CB . 15344 1 1018 . 1 1 82 82 LYS CD C 13 29.181 0.400 . 1 . . . . . 82 LYS CD . 15344 1 1019 . 1 1 82 82 LYS CE C 13 42.183 0.400 . 1 . . . . . 82 LYS CE . 15344 1 1020 . 1 1 82 82 LYS CG C 13 24.870 0.400 . 1 . . . . . 82 LYS CG . 15344 1 1021 . 1 1 82 82 LYS N N 15 121.957 0.400 . 1 . . . . . 82 LYS N . 15344 1 1022 . 1 1 83 83 VAL H H 1 8.123 0.020 . 1 . . . . . 83 VAL H . 15344 1 1023 . 1 1 83 83 VAL HA H 1 4.093 0.020 . 1 . . . . . 83 VAL HA . 15344 1 1024 . 1 1 83 83 VAL HB H 1 2.080 0.020 . 1 . . . . . 83 VAL HB . 15344 1 1025 . 1 1 83 83 VAL HG11 H 1 0.941 0.020 . 2 . . . . . 83 VAL HG1 . 15344 1 1026 . 1 1 83 83 VAL HG12 H 1 0.941 0.020 . 2 . . . . . 83 VAL HG1 . 15344 1 1027 . 1 1 83 83 VAL HG13 H 1 0.941 0.020 . 2 . . . . . 83 VAL HG1 . 15344 1 1028 . 1 1 83 83 VAL HG21 H 1 0.897 0.020 . 2 . . . . . 83 VAL HG2 . 15344 1 1029 . 1 1 83 83 VAL HG22 H 1 0.897 0.020 . 2 . . . . . 83 VAL HG2 . 15344 1 1030 . 1 1 83 83 VAL HG23 H 1 0.897 0.020 . 2 . . . . . 83 VAL HG2 . 15344 1 1031 . 1 1 83 83 VAL C C 13 176.604 0.400 . 1 . . . . . 83 VAL C . 15344 1 1032 . 1 1 83 83 VAL CA C 13 62.964 0.400 . 1 . . . . . 83 VAL CA . 15344 1 1033 . 1 1 83 83 VAL CB C 13 32.742 0.400 . 1 . . . . . 83 VAL CB . 15344 1 1034 . 1 1 83 83 VAL CG1 C 13 20.884 0.400 . 1 . . . . . 83 VAL CG1 . 15344 1 1035 . 1 1 83 83 VAL CG2 C 13 20.259 0.400 . 1 . . . . . 83 VAL CG2 . 15344 1 1036 . 1 1 83 83 VAL N N 15 121.150 0.400 . 1 . . . . . 83 VAL N . 15344 1 1037 . 1 1 84 84 THR H H 1 8.162 0.020 . 1 . . . . . 84 THR H . 15344 1 1038 . 1 1 84 84 THR HA H 1 4.276 0.020 . 1 . . . . . 84 THR HA . 15344 1 1039 . 1 1 84 84 THR HB H 1 4.219 0.020 . 1 . . . . . 84 THR HB . 15344 1 1040 . 1 1 84 84 THR HG21 H 1 1.206 0.020 . 1 . . . . . 84 THR HG2 . 15344 1 1041 . 1 1 84 84 THR HG22 H 1 1.206 0.020 . 1 . . . . . 84 THR HG2 . 15344 1 1042 . 1 1 84 84 THR HG23 H 1 1.206 0.020 . 1 . . . . . 84 THR HG2 . 15344 1 1043 . 1 1 84 84 THR C C 13 174.773 0.400 . 1 . . . . . 84 THR C . 15344 1 1044 . 1 1 84 84 THR CA C 13 62.558 0.400 . 1 . . . . . 84 THR CA . 15344 1 1045 . 1 1 84 84 THR CB C 13 69.726 0.400 . 1 . . . . . 84 THR CB . 15344 1 1046 . 1 1 84 84 THR CG2 C 13 21.848 0.400 . 1 . . . . . 84 THR CG2 . 15344 1 1047 . 1 1 84 84 THR N N 15 117.587 0.400 . 1 . . . . . 84 THR N . 15344 1 1048 . 1 1 85 85 MET H H 1 8.353 0.020 . 1 . . . . . 85 MET H . 15344 1 1049 . 1 1 85 85 MET HA H 1 4.448 0.020 . 1 . . . . . 85 MET HA . 15344 1 1050 . 1 1 85 85 MET HB2 H 1 2.059 0.020 . 2 . . . . . 85 MET HB2 . 15344 1 1051 . 1 1 85 85 MET HB3 H 1 2.059 0.020 . 2 . . . . . 85 MET HB3 . 15344 1 1052 . 1 1 85 85 MET HG2 H 1 2.590 0.020 . 2 . . . . . 85 MET HG2 . 15344 1 1053 . 1 1 85 85 MET HG3 H 1 2.511 0.020 . 2 . . . . . 85 MET HG3 . 15344 1 1054 . 1 1 85 85 MET C C 13 176.518 0.400 . 1 . . . . . 85 MET C . 15344 1 1055 . 1 1 85 85 MET CA C 13 56.074 0.400 . 1 . . . . . 85 MET CA . 15344 1 1056 . 1 1 85 85 MET CB C 13 32.837 0.400 . 1 . . . . . 85 MET CB . 15344 1 1057 . 1 1 85 85 MET CG C 13 32.107 0.400 . 1 . . . . . 85 MET CG . 15344 1 1058 . 1 1 85 85 MET N N 15 122.707 0.400 . 1 . . . . . 85 MET N . 15344 1 1059 . 1 1 86 86 ILE H H 1 8.113 0.020 . 1 . . . . . 86 ILE H . 15344 1 1060 . 1 1 86 86 ILE HA H 1 4.061 0.020 . 1 . . . . . 86 ILE HA . 15344 1 1061 . 1 1 86 86 ILE HB H 1 1.867 0.020 . 1 . . . . . 86 ILE HB . 15344 1 1062 . 1 1 86 86 ILE HD11 H 1 0.844 0.020 . 1 . . . . . 86 ILE HD1 . 15344 1 1063 . 1 1 86 86 ILE HD12 H 1 0.844 0.020 . 1 . . . . . 86 ILE HD1 . 15344 1 1064 . 1 1 86 86 ILE HD13 H 1 0.844 0.020 . 1 . . . . . 86 ILE HD1 . 15344 1 1065 . 1 1 86 86 ILE HG12 H 1 1.490 0.020 . 2 . . . . . 86 ILE HG12 . 15344 1 1066 . 1 1 86 86 ILE HG13 H 1 1.193 0.020 . 2 . . . . . 86 ILE HG13 . 15344 1 1067 . 1 1 86 86 ILE HG21 H 1 0.893 0.020 . 1 . . . . . 86 ILE HG2 . 15344 1 1068 . 1 1 86 86 ILE HG22 H 1 0.893 0.020 . 1 . . . . . 86 ILE HG2 . 15344 1 1069 . 1 1 86 86 ILE HG23 H 1 0.893 0.020 . 1 . . . . . 86 ILE HG2 . 15344 1 1070 . 1 1 86 86 ILE C C 13 176.712 0.400 . 1 . . . . . 86 ILE C . 15344 1 1071 . 1 1 86 86 ILE CA C 13 62.006 0.400 . 1 . . . . . 86 ILE CA . 15344 1 1072 . 1 1 86 86 ILE CB C 13 38.402 0.400 . 1 . . . . . 86 ILE CB . 15344 1 1073 . 1 1 86 86 ILE CD1 C 13 12.976 0.400 . 1 . . . . . 86 ILE CD1 . 15344 1 1074 . 1 1 86 86 ILE CG1 C 13 27.827 0.400 . 1 . . . . . 86 ILE CG1 . 15344 1 1075 . 1 1 86 86 ILE CG2 C 13 17.534 0.400 . 1 . . . . . 86 ILE CG2 . 15344 1 1076 . 1 1 86 86 ILE N N 15 121.834 0.400 . 1 . . . . . 86 ILE N . 15344 1 1077 . 1 1 87 87 GLN H H 1 8.328 0.020 . 1 . . . . . 87 GLN H . 15344 1 1078 . 1 1 87 87 GLN HA H 1 4.190 0.020 . 1 . . . . . 87 GLN HA . 15344 1 1079 . 1 1 87 87 GLN HB2 H 1 2.011 0.020 . 2 . . . . . 87 GLN HB2 . 15344 1 1080 . 1 1 87 87 GLN HB3 H 1 2.011 0.020 . 2 . . . . . 87 GLN HB3 . 15344 1 1081 . 1 1 87 87 GLN HE21 H 1 7.508 0.020 . 2 . . . . . 87 GLN HE21 . 15344 1 1082 . 1 1 87 87 GLN HE22 H 1 6.888 0.020 . 2 . . . . . 87 GLN HE22 . 15344 1 1083 . 1 1 87 87 GLN HG2 H 1 2.341 0.020 . 2 . . . . . 87 GLN HG2 . 15344 1 1084 . 1 1 87 87 GLN HG3 H 1 2.341 0.020 . 2 . . . . . 87 GLN HG3 . 15344 1 1085 . 1 1 87 87 GLN C C 13 176.617 0.400 . 1 . . . . . 87 GLN C . 15344 1 1086 . 1 1 87 87 GLN CA C 13 56.798 0.400 . 1 . . . . . 87 GLN CA . 15344 1 1087 . 1 1 87 87 GLN CB C 13 29.044 0.400 . 1 . . . . . 87 GLN CB . 15344 1 1088 . 1 1 87 87 GLN CG C 13 33.872 0.400 . 1 . . . . . 87 GLN CG . 15344 1 1089 . 1 1 87 87 GLN N N 15 123.529 0.400 . 1 . . . . . 87 GLN N . 15344 1 1090 . 1 1 87 87 GLN NE2 N 15 112.293 0.400 . 1 . . . . . 87 GLN NE2 . 15344 1 1091 . 1 1 88 88 LYS H H 1 8.232 0.020 . 1 . . . . . 88 LYS H . 15344 1 1092 . 1 1 88 88 LYS HA H 1 4.133 0.020 . 1 . . . . . 88 LYS HA . 15344 1 1093 . 1 1 88 88 LYS HB2 H 1 1.701 0.020 . 2 . . . . . 88 LYS HB2 . 15344 1 1094 . 1 1 88 88 LYS HB3 H 1 1.701 0.020 . 2 . . . . . 88 LYS HB3 . 15344 1 1095 . 1 1 88 88 LYS HD2 H 1 1.604 0.020 . 2 . . . . . 88 LYS HD2 . 15344 1 1096 . 1 1 88 88 LYS HD3 H 1 1.604 0.020 . 2 . . . . . 88 LYS HD3 . 15344 1 1097 . 1 1 88 88 LYS HE2 H 1 2.918 0.020 . 2 . . . . . 88 LYS HE2 . 15344 1 1098 . 1 1 88 88 LYS HE3 H 1 2.918 0.020 . 2 . . . . . 88 LYS HE3 . 15344 1 1099 . 1 1 88 88 LYS HG2 H 1 1.336 0.020 . 2 . . . . . 88 LYS HG2 . 15344 1 1100 . 1 1 88 88 LYS HG3 H 1 1.234 0.020 . 2 . . . . . 88 LYS HG3 . 15344 1 1101 . 1 1 88 88 LYS C C 13 176.983 0.400 . 1 . . . . . 88 LYS C . 15344 1 1102 . 1 1 88 88 LYS CA C 13 57.289 0.400 . 1 . . . . . 88 LYS CA . 15344 1 1103 . 1 1 88 88 LYS CB C 13 32.806 0.400 . 1 . . . . . 88 LYS CB . 15344 1 1104 . 1 1 88 88 LYS CD C 13 29.156 0.400 . 1 . . . . . 88 LYS CD . 15344 1 1105 . 1 1 88 88 LYS CE C 13 42.118 0.400 . 1 . . . . . 88 LYS CE . 15344 1 1106 . 1 1 88 88 LYS CG C 13 24.857 0.400 . 1 . . . . . 88 LYS CG . 15344 1 1107 . 1 1 88 88 LYS N N 15 121.677 0.400 . 1 . . . . . 88 LYS N . 15344 1 1108 . 1 1 89 89 TYR H H 1 8.086 0.020 . 1 . . . . . 89 TYR H . 15344 1 1109 . 1 1 89 89 TYR HA H 1 4.492 0.020 . 1 . . . . . 89 TYR HA . 15344 1 1110 . 1 1 89 89 TYR HB2 H 1 3.071 0.020 . 2 . . . . . 89 TYR HB2 . 15344 1 1111 . 1 1 89 89 TYR HB3 H 1 2.983 0.020 . 2 . . . . . 89 TYR HB3 . 15344 1 1112 . 1 1 89 89 TYR HD1 H 1 7.096 0.020 . 1 . . . . . 89 TYR HD1 . 15344 1 1113 . 1 1 89 89 TYR HD2 H 1 7.091 0.020 . 1 . . . . . 89 TYR HD2 . 15344 1 1114 . 1 1 89 89 TYR HE1 H 1 6.788 0.020 . 1 . . . . . 89 TYR HE1 . 15344 1 1115 . 1 1 89 89 TYR HE2 H 1 6.798 0.020 . 1 . . . . . 89 TYR HE2 . 15344 1 1116 . 1 1 89 89 TYR C C 13 176.250 0.400 . 1 . . . . . 89 TYR C . 15344 1 1117 . 1 1 89 89 TYR CA C 13 58.546 0.400 . 1 . . . . . 89 TYR CA . 15344 1 1118 . 1 1 89 89 TYR CB C 13 38.410 0.400 . 1 . . . . . 89 TYR CB . 15344 1 1119 . 1 1 89 89 TYR CD1 C 13 133.159 0.400 . 1 . . . . . 89 TYR CD1 . 15344 1 1120 . 1 1 89 89 TYR CD2 C 13 133.170 0.400 . 1 . . . . . 89 TYR CD2 . 15344 1 1121 . 1 1 89 89 TYR CE1 C 13 118.198 0.400 . 1 . . . . . 89 TYR CE1 . 15344 1 1122 . 1 1 89 89 TYR CE2 C 13 118.211 0.400 . 1 . . . . . 89 TYR CE2 . 15344 1 1123 . 1 1 89 89 TYR N N 15 119.993 0.400 . 1 . . . . . 89 TYR N . 15344 1 1124 . 1 1 90 90 ARG H H 1 8.127 0.020 . 1 . . . . . 90 ARG H . 15344 1 1125 . 1 1 90 90 ARG HA H 1 4.119 0.020 . 1 . . . . . 90 ARG HA . 15344 1 1126 . 1 1 90 90 ARG HB2 H 1 1.790 0.020 . 2 . . . . . 90 ARG HB2 . 15344 1 1127 . 1 1 90 90 ARG HB3 H 1 1.790 0.020 . 2 . . . . . 90 ARG HB3 . 15344 1 1128 . 1 1 90 90 ARG HD2 H 1 3.161 0.020 . 2 . . . . . 90 ARG HD2 . 15344 1 1129 . 1 1 90 90 ARG HD3 H 1 3.161 0.020 . 2 . . . . . 90 ARG HD3 . 15344 1 1130 . 1 1 90 90 ARG HG2 H 1 1.545 0.020 . 2 . . . . . 90 ARG HG2 . 15344 1 1131 . 1 1 90 90 ARG HG3 H 1 1.545 0.020 . 2 . . . . . 90 ARG HG3 . 15344 1 1132 . 1 1 90 90 ARG C C 13 176.628 0.400 . 1 . . . . . 90 ARG C . 15344 1 1133 . 1 1 90 90 ARG CA C 13 57.085 0.400 . 1 . . . . . 90 ARG CA . 15344 1 1134 . 1 1 90 90 ARG CB C 13 30.568 0.400 . 1 . . . . . 90 ARG CB . 15344 1 1135 . 1 1 90 90 ARG CD C 13 43.252 0.400 . 1 . . . . . 90 ARG CD . 15344 1 1136 . 1 1 90 90 ARG CG C 13 27.124 0.400 . 1 . . . . . 90 ARG CG . 15344 1 1137 . 1 1 90 90 ARG N N 15 121.679 0.400 . 1 . . . . . 90 ARG N . 15344 1 1138 . 1 1 91 91 GLN H H 1 8.232 0.020 . 1 . . . . . 91 GLN H . 15344 1 1139 . 1 1 91 91 GLN HA H 1 4.179 0.020 . 1 . . . . . 91 GLN HA . 15344 1 1140 . 1 1 91 91 GLN HB2 H 1 2.044 0.020 . 2 . . . . . 91 GLN HB2 . 15344 1 1141 . 1 1 91 91 GLN HB3 H 1 2.044 0.020 . 2 . . . . . 91 GLN HB3 . 15344 1 1142 . 1 1 91 91 GLN HE21 H 1 7.549 0.020 . 2 . . . . . 91 GLN HE21 . 15344 1 1143 . 1 1 91 91 GLN HE22 H 1 6.875 0.020 . 2 . . . . . 91 GLN HE22 . 15344 1 1144 . 1 1 91 91 GLN HG2 H 1 2.374 0.020 . 2 . . . . . 91 GLN HG2 . 15344 1 1145 . 1 1 91 91 GLN HG3 H 1 2.374 0.020 . 2 . . . . . 91 GLN HG3 . 15344 1 1146 . 1 1 91 91 GLN C C 13 176.491 0.400 . 1 . . . . . 91 GLN C . 15344 1 1147 . 1 1 91 91 GLN CA C 13 56.800 0.400 . 1 . . . . . 91 GLN CA . 15344 1 1148 . 1 1 91 91 GLN CB C 13 29.129 0.400 . 1 . . . . . 91 GLN CB . 15344 1 1149 . 1 1 91 91 GLN CG C 13 33.963 0.400 . 1 . . . . . 91 GLN CG . 15344 1 1150 . 1 1 91 91 GLN N N 15 120.420 0.400 . 1 . . . . . 91 GLN N . 15344 1 1151 . 1 1 91 91 GLN NE2 N 15 112.237 0.400 . 1 . . . . . 91 GLN NE2 . 15344 1 1152 . 1 1 92 92 LEU H H 1 8.118 0.020 . 1 . . . . . 92 LEU H . 15344 1 1153 . 1 1 92 92 LEU HA H 1 4.269 0.020 . 1 . . . . . 92 LEU HA . 15344 1 1154 . 1 1 92 92 LEU HB2 H 1 1.550 0.020 . 2 . . . . . 92 LEU HB2 . 15344 1 1155 . 1 1 92 92 LEU HB3 H 1 1.488 0.020 . 2 . . . . . 92 LEU HB3 . 15344 1 1156 . 1 1 92 92 LEU HD11 H 1 0.845 0.020 . 2 . . . . . 92 LEU HD1 . 15344 1 1157 . 1 1 92 92 LEU HD12 H 1 0.845 0.020 . 2 . . . . . 92 LEU HD1 . 15344 1 1158 . 1 1 92 92 LEU HD13 H 1 0.845 0.020 . 2 . . . . . 92 LEU HD1 . 15344 1 1159 . 1 1 92 92 LEU HD21 H 1 0.792 0.020 . 2 . . . . . 92 LEU HD2 . 15344 1 1160 . 1 1 92 92 LEU HD22 H 1 0.792 0.020 . 2 . . . . . 92 LEU HD2 . 15344 1 1161 . 1 1 92 92 LEU HD23 H 1 0.792 0.020 . 2 . . . . . 92 LEU HD2 . 15344 1 1162 . 1 1 92 92 LEU C C 13 177.632 0.400 . 1 . . . . . 92 LEU C . 15344 1 1163 . 1 1 92 92 LEU CA C 13 55.419 0.400 . 1 . . . . . 92 LEU CA . 15344 1 1164 . 1 1 92 92 LEU CB C 13 42.238 0.400 . 1 . . . . . 92 LEU CB . 15344 1 1165 . 1 1 92 92 LEU CD1 C 13 25.010 0.400 . 1 . . . . . 92 LEU CD1 . 15344 1 1166 . 1 1 92 92 LEU CD2 C 13 23.398 0.400 . 1 . . . . . 92 LEU CD2 . 15344 1 1167 . 1 1 92 92 LEU N N 15 122.670 0.400 . 1 . . . . . 92 LEU N . 15344 1 1168 . 1 1 93 93 HIS H H 1 8.049 0.020 . 1 . . . . . 93 HIS H . 15344 1 1169 . 1 1 93 93 HIS HA H 1 4.228 0.020 . 1 . . . . . 93 HIS HA . 15344 1 1170 . 1 1 93 93 HIS HB2 H 1 1.601 0.020 . 2 . . . . . 93 HIS HB2 . 15344 1 1171 . 1 1 93 93 HIS HB3 H 1 1.601 0.020 . 2 . . . . . 93 HIS HB3 . 15344 1 1172 . 1 1 93 93 HIS C C 13 177.608 0.400 . 1 . . . . . 93 HIS C . 15344 1 1173 . 1 1 93 93 HIS CA C 13 55.512 0.400 . 1 . . . . . 93 HIS CA . 15344 1 1174 . 1 1 93 93 HIS CB C 13 42.238 0.400 . 1 . . . . . 93 HIS CB . 15344 1 1175 . 1 1 93 93 HIS N N 15 121.742 0.400 . 1 . . . . . 93 HIS N . 15344 1 1176 . 1 1 94 94 HIS H H 1 8.153 0.020 . 1 . . . . . 94 HIS H . 15344 1 1177 . 1 1 94 94 HIS HA H 1 4.141 0.020 . 1 . . . . . 94 HIS HA . 15344 1 1178 . 1 1 94 94 HIS HB2 H 1 1.889 0.020 . 2 . . . . . 94 HIS HB2 . 15344 1 1179 . 1 1 94 94 HIS HB3 H 1 1.889 0.020 . 2 . . . . . 94 HIS HB3 . 15344 1 1180 . 1 1 94 94 HIS CA C 13 56.804 0.400 . 1 . . . . . 94 HIS CA . 15344 1 1181 . 1 1 94 94 HIS CB C 13 30.254 0.400 . 1 . . . . . 94 HIS CB . 15344 1 1182 . 1 1 94 94 HIS N N 15 120.504 0.400 . 1 . . . . . 94 HIS N . 15344 1 1183 . 1 1 95 95 HIS H H 1 8.214 0.020 . 1 . . . . . 95 HIS H . 15344 1 1184 . 1 1 95 95 HIS N N 15 119.402 0.400 . 1 . . . . . 95 HIS N . 15344 1 stop_ save_