################################### # 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 25660 _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' . . . 25660 1 2 '3D 1H-15N NOESY' . . . 25660 1 3 '2D 1H-15N HSQC' . . . 25660 1 4 '2D 1H-13C HSQC' . . . 25660 1 5 '2D 1H-1H NOESY' . . . 25660 1 6 '3D CBCA(CO)NH' . . . 25660 1 7 '3D HNCO' . . . 25660 1 8 '3D HNCA' . . . 25660 1 9 '3D HN(CO)CA' . . . 25660 1 10 '3D HBHA(CO)NH' . . . 25660 1 11 '3D HCCH-TOCSY' . . . 25660 1 12 '2D 1H-1H COSY' . . . 25660 1 13 '2D 1H-13C HSQC aromatic' . . . 25660 1 14 '3D HNCACB' . . . 25660 1 15 '3D 1H-13C NOESY aliphatic' . . . 25660 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 $CYANA . . 25660 1 6 $XEASY . . 25660 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 GLY HA2 H 1 3.341 0.001 . 1 . . . A 1 GLY HA2 . 25660 1 2 . 1 1 1 1 GLY HA3 H 1 3.752 0.001 . 1 . . . A 1 GLY HA3 . 25660 1 3 . 1 1 1 1 GLY C C 13 168.239 0.001 . 1 . . . A 1 GLY C . 25660 1 4 . 1 1 1 1 GLY CA C 13 42.567 0.001 . 1 . . . A 1 GLY CA . 25660 1 5 . 1 1 2 2 ASP H H 1 9.541 0.001 . 1 . . . A 2 ASP H . 25660 1 6 . 1 1 2 2 ASP HA H 1 4.775 0.001 . 1 . . . A 2 ASP HA . 25660 1 7 . 1 1 2 2 ASP HB2 H 1 2.735 0.001 . 1 . . . A 2 ASP HB2 . 25660 1 8 . 1 1 2 2 ASP HB3 H 1 2.370 0.001 . 1 . . . A 2 ASP HB3 . 25660 1 9 . 1 1 2 2 ASP C C 13 175.662 0.001 . 1 . . . A 2 ASP C . 25660 1 10 . 1 1 2 2 ASP CA C 13 52.772 0.001 . 1 . . . A 2 ASP CA . 25660 1 11 . 1 1 2 2 ASP CB C 13 42.313 0.001 . 1 . . . A 2 ASP CB . 25660 1 12 . 1 1 2 2 ASP N N 15 124.691 0.001 . 1 . . . A 2 ASP N . 25660 1 13 . 1 1 3 3 VAL H H 1 8.569 0.001 . 1 . . . A 3 VAL H . 25660 1 14 . 1 1 3 3 VAL HA H 1 3.550 0.001 . 1 . . . A 3 VAL HA . 25660 1 15 . 1 1 3 3 VAL HB H 1 2.097 0.001 . 1 . . . A 3 VAL HB . 25660 1 16 . 1 1 3 3 VAL HG11 H 1 0.988 0.001 . 1 . . . A 3 VAL HG11 . 25660 1 17 . 1 1 3 3 VAL HG12 H 1 0.988 0.001 . 1 . . . A 3 VAL HG12 . 25660 1 18 . 1 1 3 3 VAL HG13 H 1 0.988 0.001 . 1 . . . A 3 VAL HG13 . 25660 1 19 . 1 1 3 3 VAL HG21 H 1 0.954 0.001 . 1 . . . A 3 VAL HG21 . 25660 1 20 . 1 1 3 3 VAL HG22 H 1 0.954 0.001 . 1 . . . A 3 VAL HG22 . 25660 1 21 . 1 1 3 3 VAL HG23 H 1 0.954 0.001 . 1 . . . A 3 VAL HG23 . 25660 1 22 . 1 1 3 3 VAL C C 13 177.302 0.001 . 1 . . . A 3 VAL C . 25660 1 23 . 1 1 3 3 VAL CA C 13 65.946 0.001 . 1 . . . A 3 VAL CA . 25660 1 24 . 1 1 3 3 VAL CB C 13 31.965 0.001 . 1 . . . A 3 VAL CB . 25660 1 25 . 1 1 3 3 VAL CG1 C 13 21.697 0.001 . 1 . . . A 3 VAL CG1 . 25660 1 26 . 1 1 3 3 VAL CG2 C 13 21.577 0.001 . 1 . . . A 3 VAL CG2 . 25660 1 27 . 1 1 3 3 VAL N N 15 123.739 0.001 . 1 . . . A 3 VAL N . 25660 1 28 . 1 1 4 4 GLU H H 1 8.083 0.003 . 1 . . . A 4 GLU H . 25660 1 29 . 1 1 4 4 GLU HA H 1 4.008 0.003 . 1 . . . A 4 GLU HA . 25660 1 30 . 1 1 4 4 GLU HB2 H 1 2.053 0.001 . 1 . . . A 4 GLU HB2 . 25660 1 31 . 1 1 4 4 GLU HB3 H 1 2.021 0.002 . 1 . . . A 4 GLU HB3 . 25660 1 32 . 1 1 4 4 GLU HG2 H 1 2.231 0.001 . 1 . . . A 4 GLU HG2 . 25660 1 33 . 1 1 4 4 GLU HG3 H 1 2.208 0.002 . 1 . . . A 4 GLU HG3 . 25660 1 34 . 1 1 4 4 GLU C C 13 180.515 0.001 . 1 . . . A 4 GLU C . 25660 1 35 . 1 1 4 4 GLU CA C 13 58.963 0.001 . 1 . . . A 4 GLU CA . 25660 1 36 . 1 1 4 4 GLU CB C 13 28.479 0.001 . 1 . . . A 4 GLU CB . 25660 1 37 . 1 1 4 4 GLU CG C 13 35.918 0.001 . 1 . . . A 4 GLU CG . 25660 1 38 . 1 1 4 4 GLU N N 15 120.310 0.001 . 1 . . . A 4 GLU N . 25660 1 39 . 1 1 5 5 LYS H H 1 8.096 0.002 . 1 . . . A 5 LYS H . 25660 1 40 . 1 1 5 5 LYS HA H 1 3.899 0.001 . 1 . . . A 5 LYS HA . 25660 1 41 . 1 1 5 5 LYS HB2 H 1 1.706 0.005 . 1 . . . A 5 LYS HB2 . 25660 1 42 . 1 1 5 5 LYS HB3 H 1 1.706 0.005 . 1 . . . A 5 LYS HB3 . 25660 1 43 . 1 1 5 5 LYS HG2 H 1 1.458 0.005 . 1 . . . A 5 LYS HG2 . 25660 1 44 . 1 1 5 5 LYS HG3 H 1 1.304 0.001 . 1 . . . A 5 LYS HG3 . 25660 1 45 . 1 1 5 5 LYS HE2 H 1 2.883 0.002 . 1 . . . A 5 LYS HE2 . 25660 1 46 . 1 1 5 5 LYS HE3 H 1 2.883 0.002 . 1 . . . A 5 LYS HE3 . 25660 1 47 . 1 1 5 5 LYS C C 13 180.515 0.001 . 1 . . . A 5 LYS C . 25660 1 48 . 1 1 5 5 LYS CA C 13 59.459 0.001 . 1 . . . A 5 LYS CA . 25660 1 49 . 1 1 5 5 LYS CB C 13 32.454 0.001 . 1 . . . A 5 LYS CB . 25660 1 50 . 1 1 5 5 LYS CG C 13 26.024 0.001 . 1 . . . A 5 LYS CG . 25660 1 51 . 1 1 5 5 LYS CD C 13 28.801 0.001 . 1 . . . A 5 LYS CD . 25660 1 52 . 1 1 5 5 LYS CE C 13 41.739 0.001 . 1 . . . A 5 LYS CE . 25660 1 53 . 1 1 5 5 LYS N N 15 121.058 0.001 . 1 . . . A 5 LYS N . 25660 1 54 . 1 1 6 6 GLY H H 1 8.709 0.002 . 1 . . . A 6 GLY H . 25660 1 55 . 1 1 6 6 GLY HA2 H 1 3.478 0.001 . 1 . . . A 6 GLY HA2 . 25660 1 56 . 1 1 6 6 GLY HA3 H 1 4.095 0.003 . 1 . . . A 6 GLY HA3 . 25660 1 57 . 1 1 6 6 GLY C C 13 174.012 0.001 . 1 . . . A 6 GLY C . 25660 1 58 . 1 1 6 6 GLY CA C 13 46.479 0.001 . 1 . . . A 6 GLY CA . 25660 1 59 . 1 1 6 6 GLY N N 15 107.193 0.001 . 1 . . . A 6 GLY N . 25660 1 60 . 1 1 7 7 LYS H H 1 8.039 0.004 . 1 . . . A 7 LYS H . 25660 1 61 . 1 1 7 7 LYS HA H 1 2.160 0.002 . 1 . . . A 7 LYS HA . 25660 1 62 . 1 1 7 7 LYS HB2 H 1 1.670 0.002 . 1 . . . A 7 LYS HB2 . 25660 1 63 . 1 1 7 7 LYS HB3 H 1 1.324 0.005 . 1 . . . A 7 LYS HB3 . 25660 1 64 . 1 1 7 7 LYS HG2 H 1 1.536 0.001 . 1 . . . A 7 LYS HG2 . 25660 1 65 . 1 1 7 7 LYS HG3 H 1 1.536 0.001 . 1 . . . A 7 LYS HG3 . 25660 1 66 . 1 1 7 7 LYS HD2 H 1 0.986 0.002 . 1 . . . A 7 LYS HD2 . 25660 1 67 . 1 1 7 7 LYS HD3 H 1 0.986 0.002 . 1 . . . A 7 LYS HD3 . 25660 1 68 . 1 1 7 7 LYS C C 13 177.457 0.001 . 1 . . . A 7 LYS C . 25660 1 69 . 1 1 7 7 LYS CA C 13 59.052 0.001 . 1 . . . A 7 LYS CA . 25660 1 70 . 1 1 7 7 LYS CB C 13 32.105 0.001 . 1 . . . A 7 LYS CB . 25660 1 71 . 1 1 7 7 LYS CG C 13 24.023 0.001 . 1 . . . A 7 LYS CG . 25660 1 72 . 1 1 7 7 LYS CD C 13 29.272 0.001 . 1 . . . A 7 LYS CD . 25660 1 73 . 1 1 7 7 LYS CE C 13 41.814 0.001 . 1 . . . A 7 LYS CE . 25660 1 74 . 1 1 7 7 LYS N N 15 124.124 0.010 . 1 . . . A 7 LYS N . 25660 1 75 . 1 1 8 8 LYS H H 1 6.958 0.001 . 1 . . . A 8 LYS H . 25660 1 76 . 1 1 8 8 LYS HA H 1 3.815 0.001 . 1 . . . A 8 LYS HA . 25660 1 77 . 1 1 8 8 LYS HB2 H 1 1.852 0.001 . 1 . . . A 8 LYS HB2 . 25660 1 78 . 1 1 8 8 LYS HB3 H 1 1.852 0.001 . 1 . . . A 8 LYS HB3 . 25660 1 79 . 1 1 8 8 LYS HG2 H 1 1.531 0.001 . 1 . . . A 8 LYS HG2 . 25660 1 80 . 1 1 8 8 LYS HG3 H 1 1.353 0.001 . 1 . . . A 8 LYS HG3 . 25660 1 81 . 1 1 8 8 LYS HD2 H 1 1.591 0.002 . 1 . . . A 8 LYS HD2 . 25660 1 82 . 1 1 8 8 LYS HD3 H 1 1.591 0.002 . 1 . . . A 8 LYS HD3 . 25660 1 83 . 1 1 8 8 LYS HE2 H 1 2.884 0.001 . 1 . . . A 8 LYS HE2 . 25660 1 84 . 1 1 8 8 LYS HE3 H 1 2.884 0.001 . 1 . . . A 8 LYS HE3 . 25660 1 85 . 1 1 8 8 LYS C C 13 179.228 0.001 . 1 . . . A 8 LYS C . 25660 1 86 . 1 1 8 8 LYS CA C 13 59.322 0.001 . 1 . . . A 8 LYS CA . 25660 1 87 . 1 1 8 8 LYS CB C 13 31.815 0.001 . 1 . . . A 8 LYS CB . 25660 1 88 . 1 1 8 8 LYS CG C 13 25.179 0.001 . 1 . . . A 8 LYS CG . 25660 1 89 . 1 1 8 8 LYS CD C 13 29.001 0.001 . 1 . . . A 8 LYS CD . 25660 1 90 . 1 1 8 8 LYS CE C 13 41.830 0.001 . 1 . . . A 8 LYS CE . 25660 1 91 . 1 1 8 8 LYS N N 15 116.732 0.001 . 1 . . . A 8 LYS N . 25660 1 92 . 1 1 9 9 ILE H H 1 7.681 0.003 . 1 . . . A 9 ILE H . 25660 1 93 . 1 1 9 9 ILE HA H 1 3.719 0.001 . 1 . . . A 9 ILE HA . 25660 1 94 . 1 1 9 9 ILE HB H 1 2.004 0.001 . 1 . . . A 9 ILE HB . 25660 1 95 . 1 1 9 9 ILE HG12 H 1 1.810 0.002 . 1 . . . A 9 ILE HG12 . 25660 1 96 . 1 1 9 9 ILE HG13 H 1 1.152 0.004 . 1 . . . A 9 ILE HG13 . 25660 1 97 . 1 1 9 9 ILE HG21 H 1 1.064 0.002 . 1 . . . A 9 ILE HG21 . 25660 1 98 . 1 1 9 9 ILE HG22 H 1 1.064 0.002 . 1 . . . A 9 ILE HG22 . 25660 1 99 . 1 1 9 9 ILE HG23 H 1 1.064 0.002 . 1 . . . A 9 ILE HG23 . 25660 1 100 . 1 1 9 9 ILE HD11 H 1 1.003 0.001 . 1 . . . A 9 ILE HD11 . 25660 1 101 . 1 1 9 9 ILE HD12 H 1 1.003 0.001 . 1 . . . A 9 ILE HD12 . 25660 1 102 . 1 1 9 9 ILE HD13 H 1 1.003 0.001 . 1 . . . A 9 ILE HD13 . 25660 1 103 . 1 1 9 9 ILE C C 13 177.006 0.001 . 1 . . . A 9 ILE C . 25660 1 104 . 1 1 9 9 ILE CA C 13 65.105 0.001 . 1 . . . A 9 ILE CA . 25660 1 105 . 1 1 9 9 ILE CB C 13 37.562 0.001 . 1 . . . A 9 ILE CB . 25660 1 106 . 1 1 9 9 ILE CG1 C 13 28.101 0.001 . 1 . . . A 9 ILE CG1 . 25660 1 107 . 1 1 9 9 ILE CG2 C 13 18.364 0.001 . 1 . . . A 9 ILE CG2 . 25660 1 108 . 1 1 9 9 ILE CD1 C 13 14.027 0.001 . 1 . . . A 9 ILE CD1 . 25660 1 109 . 1 1 9 9 ILE N N 15 119.269 0.001 . 1 . . . A 9 ILE N . 25660 1 110 . 1 1 10 10 PHE H H 1 8.635 0.001 . 1 . . . A 10 PHE H . 25660 1 111 . 1 1 10 10 PHE HA H 1 3.973 0.001 . 1 . . . A 10 PHE HA . 25660 1 112 . 1 1 10 10 PHE HB2 H 1 3.005 0.001 . 1 . . . A 10 PHE HB2 . 25660 1 113 . 1 1 10 10 PHE HB3 H 1 2.890 0.001 . 1 . . . A 10 PHE HB3 . 25660 1 114 . 1 1 10 10 PHE HD1 H 1 7.076 0.001 . 1 . . . A 10 PHE HD1 . 25660 1 115 . 1 1 10 10 PHE HD2 H 1 6.856 0.001 . 1 . . . A 10 PHE HD2 . 25660 1 116 . 1 1 10 10 PHE HE1 H 1 6.027 0.001 . 1 . . . A 10 PHE HE1 . 25660 1 117 . 1 1 10 10 PHE HE2 H 1 6.928 0.001 . 1 . . . A 10 PHE HE2 . 25660 1 118 . 1 1 10 10 PHE HZ H 1 6.093 0.001 . 1 . . . A 10 PHE HZ . 25660 1 119 . 1 1 10 10 PHE C C 13 178.820 0.001 . 1 . . . A 10 PHE C . 25660 1 120 . 1 1 10 10 PHE CA C 13 62.164 0.001 . 1 . . . A 10 PHE CA . 25660 1 121 . 1 1 10 10 PHE CB C 13 39.377 0.001 . 1 . . . A 10 PHE CB . 25660 1 122 . 1 1 10 10 PHE N N 15 120.908 0.001 . 1 . . . A 10 PHE N . 25660 1 123 . 1 1 11 11 ILE H H 1 8.834 0.002 . 1 . . . A 11 ILE H . 25660 1 124 . 1 1 11 11 ILE HA H 1 3.316 0.002 . 1 . . . A 11 ILE HA . 25660 1 125 . 1 1 11 11 ILE HB H 1 1.862 0.002 . 1 . . . A 11 ILE HB . 25660 1 126 . 1 1 11 11 ILE HG12 H 1 1.773 0.002 . 1 . . . A 11 ILE HG12 . 25660 1 127 . 1 1 11 11 ILE HG13 H 1 1.181 0.002 . 1 . . . A 11 ILE HG13 . 25660 1 128 . 1 1 11 11 ILE HG21 H 1 0.804 0.001 . 1 . . . A 11 ILE HG21 . 25660 1 129 . 1 1 11 11 ILE HG22 H 1 0.804 0.001 . 1 . . . A 11 ILE HG22 . 25660 1 130 . 1 1 11 11 ILE HG23 H 1 0.804 0.001 . 1 . . . A 11 ILE HG23 . 25660 1 131 . 1 1 11 11 ILE HD11 H 1 0.740 0.001 . 1 . . . A 11 ILE HD11 . 25660 1 132 . 1 1 11 11 ILE HD12 H 1 0.740 0.001 . 1 . . . A 11 ILE HD12 . 25660 1 133 . 1 1 11 11 ILE HD13 H 1 0.740 0.001 . 1 . . . A 11 ILE HD13 . 25660 1 134 . 1 1 11 11 ILE C C 13 178.867 0.001 . 1 . . . A 11 ILE C . 25660 1 135 . 1 1 11 11 ILE CA C 13 65.622 0.001 . 1 . . . A 11 ILE CA . 25660 1 136 . 1 1 11 11 ILE CB C 13 37.617 0.001 . 1 . . . A 11 ILE CB . 25660 1 137 . 1 1 11 11 ILE CG1 C 13 28.669 0.001 . 1 . . . A 11 ILE CG1 . 25660 1 138 . 1 1 11 11 ILE CG2 C 13 16.179 0.001 . 1 . . . A 11 ILE CG2 . 25660 1 139 . 1 1 11 11 ILE CD1 C 13 12.748 0.001 . 1 . . . A 11 ILE CD1 . 25660 1 140 . 1 1 11 11 ILE N N 15 121.053 0.002 . 1 . . . A 11 ILE N . 25660 1 141 . 1 1 12 12 MET H H 1 8.047 0.008 . 1 . . . A 12 MET H . 25660 1 142 . 1 1 12 12 MET HA H 1 4.219 0.001 . 1 . . . A 12 MET HA . 25660 1 143 . 1 1 12 12 MET HB2 H 1 2.250 0.002 . 1 . . . A 12 MET HB2 . 25660 1 144 . 1 1 12 12 MET HB3 H 1 2.136 0.003 . 1 . . . A 12 MET HB3 . 25660 1 145 . 1 1 12 12 MET HG2 H 1 2.731 0.002 . 1 . . . A 12 MET HG2 . 25660 1 146 . 1 1 12 12 MET HG3 H 1 2.575 0.003 . 1 . . . A 12 MET HG3 . 25660 1 147 . 1 1 12 12 MET C C 13 177.972 0.001 . 1 . . . A 12 MET C . 25660 1 148 . 1 1 12 12 MET CA C 13 58.560 0.001 . 1 . . . A 12 MET CA . 25660 1 149 . 1 1 12 12 MET CB C 13 33.675 0.001 . 1 . . . A 12 MET CB . 25660 1 150 . 1 1 12 12 MET CG C 13 31.430 0.001 . 1 . . . A 12 MET CG . 25660 1 151 . 1 1 12 12 MET N N 15 117.328 0.001 . 1 . . . A 12 MET N . 25660 1 152 . 1 1 13 13 LYS H H 1 9.016 0.004 . 1 . . . A 13 LYS H . 25660 1 153 . 1 1 13 13 LYS HA H 1 4.935 0.001 . 1 . . . A 13 LYS HA . 25660 1 154 . 1 1 13 13 LYS HB2 H 1 2.399 0.001 . 1 . . . A 13 LYS HB2 . 25660 1 155 . 1 1 13 13 LYS HB3 H 1 2.221 0.001 . 1 . . . A 13 LYS HB3 . 25660 1 156 . 1 1 13 13 LYS HG2 H 1 1.908 0.001 . 1 . . . A 13 LYS HG2 . 25660 1 157 . 1 1 13 13 LYS HG3 H 1 1.785 0.001 . 1 . . . A 13 LYS HG3 . 25660 1 158 . 1 1 13 13 LYS HD2 H 1 1.671 0.001 . 1 . . . A 13 LYS HD2 . 25660 1 159 . 1 1 13 13 LYS HD3 H 1 1.671 0.001 . 1 . . . A 13 LYS HD3 . 25660 1 160 . 1 1 13 13 LYS HE2 H 1 3.103 0.001 . 1 . . . A 13 LYS HE2 . 25660 1 161 . 1 1 13 13 LYS HE3 H 1 3.069 0.001 . 1 . . . A 13 LYS HE3 . 25660 1 162 . 1 1 13 13 LYS C C 13 177.353 0.001 . 1 . . . A 13 LYS C . 25660 1 163 . 1 1 13 13 LYS CA C 13 57.260 0.001 . 1 . . . A 13 LYS CA . 25660 1 164 . 1 1 13 13 LYS CB C 13 35.199 0.001 . 1 . . . A 13 LYS CB . 25660 1 165 . 1 1 13 13 LYS CG C 13 29.458 0.001 . 1 . . . A 13 LYS CG . 25660 1 166 . 1 1 13 13 LYS CD C 13 26.428 0.001 . 1 . . . A 13 LYS CD . 25660 1 167 . 1 1 13 13 LYS CE C 13 42.303 0.001 . 1 . . . A 13 LYS CE . 25660 1 168 . 1 1 13 13 LYS N N 15 113.452 0.001 . 1 . . . A 13 LYS N . 25660 1 169 . 1 1 14 14 CYS H H 1 8.130 0.003 . 1 . . . A 14 CYS H . 25660 1 170 . 1 1 14 14 CYS HA H 1 5.296 0.001 . 1 . . . A 14 CYS HA . 25660 1 171 . 1 1 14 14 CYS HB2 H 1 1.756 0.001 . 1 . . . A 14 CYS HB2 . 25660 1 172 . 1 1 14 14 CYS HB3 H 1 1.059 0.001 . 1 . . . A 14 CYS HB3 . 25660 1 173 . 1 1 14 14 CYS C C 13 177.723 0.001 . 1 . . . A 14 CYS C . 25660 1 174 . 1 1 14 14 CYS CA C 13 54.119 0.001 . 1 . . . A 14 CYS CA . 25660 1 175 . 1 1 14 14 CYS CB C 13 36.784 0.001 . 1 . . . A 14 CYS CB . 25660 1 176 . 1 1 14 14 CYS N N 15 115.390 0.001 . 1 . . . A 14 CYS N . 25660 1 177 . 1 1 15 15 SER H H 1 7.297 0.005 . 1 . . . A 15 SER H . 25660 1 178 . 1 1 15 15 SER HA H 1 3.768 0.006 . 1 . . . A 15 SER HA . 25660 1 179 . 1 1 15 15 SER HB2 H 1 3.860 0.001 . 1 . . . A 15 SER HB2 . 25660 1 180 . 1 1 15 15 SER HB3 H 1 3.621 0.001 . 1 . . . A 15 SER HB3 . 25660 1 181 . 1 1 15 15 SER C C 13 174.272 0.001 . 1 . . . A 15 SER C . 25660 1 182 . 1 1 15 15 SER CA C 13 60.587 0.001 . 1 . . . A 15 SER CA . 25660 1 183 . 1 1 15 15 SER CB C 13 62.483 0.001 . 1 . . . A 15 SER CB . 25660 1 184 . 1 1 15 15 SER N N 15 114.347 0.001 . 1 . . . A 15 SER N . 25660 1 185 . 1 1 16 16 GLN H H 1 8.879 0.004 . 1 . . . A 16 GLN H . 25660 1 186 . 1 1 16 16 GLN HA H 1 3.909 0.001 . 1 . . . A 16 GLN HA . 25660 1 187 . 1 1 16 16 GLN HB2 H 1 2.194 0.001 . 1 . . . A 16 GLN HB2 . 25660 1 188 . 1 1 16 16 GLN HB3 H 1 1.939 0.001 . 1 . . . A 16 GLN HB3 . 25660 1 189 . 1 1 16 16 GLN HG2 H 1 2.604 0.001 . 1 . . . A 16 GLN HG2 . 25660 1 190 . 1 1 16 16 GLN HG3 H 1 2.444 0.001 . 1 . . . A 16 GLN HG3 . 25660 1 191 . 1 1 16 16 GLN HE21 H 1 6.957 0.001 . 1 . . . A 16 GLN HE21 . 25660 1 192 . 1 1 16 16 GLN HE22 H 1 7.559 0.001 . 1 . . . A 16 GLN HE22 . 25660 1 193 . 1 1 16 16 GLN C C 13 176.559 0.001 . 1 . . . A 16 GLN C . 25660 1 194 . 1 1 16 16 GLN CA C 13 57.938 0.001 . 1 . . . A 16 GLN CA . 25660 1 195 . 1 1 16 16 GLN CB C 13 27.900 0.001 . 1 . . . A 16 GLN CB . 25660 1 196 . 1 1 16 16 GLN CG C 13 33.202 0.001 . 1 . . . A 16 GLN CG . 25660 1 197 . 1 1 16 16 GLN N N 15 120.608 0.001 . 1 . . . A 16 GLN N . 25660 1 198 . 1 1 16 16 GLN NE2 N 15 111.391 0.001 . 1 . . . A 16 GLN NE2 . 25660 1 199 . 1 1 17 17 CYS H H 1 6.805 0.004 . 1 . . . A 17 CYS H . 25660 1 200 . 1 1 17 17 CYS HA H 1 4.084 0.001 . 1 . . . A 17 CYS HA . 25660 1 201 . 1 1 17 17 CYS HB2 H 1 1.392 0.001 . 1 . . . A 17 CYS HB2 . 25660 1 202 . 1 1 17 17 CYS HB3 H 1 0.427 0.001 . 1 . . . A 17 CYS HB3 . 25660 1 203 . 1 1 17 17 CYS C C 13 171.419 0.001 . 1 . . . A 17 CYS C . 25660 1 204 . 1 1 17 17 CYS CA C 13 53.967 0.001 . 1 . . . A 17 CYS CA . 25660 1 205 . 1 1 17 17 CYS CB C 13 38.172 0.001 . 1 . . . A 17 CYS CB . 25660 1 206 . 1 1 17 17 CYS N N 15 112.857 0.001 . 1 . . . A 17 CYS N . 25660 1 207 . 1 1 18 18 HIS H H 1 6.223 0.001 . 1 . . . A 18 HIS H . 25660 1 208 . 1 1 18 18 HIS HA H 1 3.622 0.001 . 1 . . . A 18 HIS HA . 25660 1 209 . 1 1 18 18 HIS HB2 H 1 0.996 0.001 . 1 . . . A 18 HIS HB2 . 25660 1 210 . 1 1 18 18 HIS HB3 H 1 0.660 0.003 . 1 . . . A 18 HIS HB3 . 25660 1 211 . 1 1 18 18 HIS HD1 H 1 9.464 0.001 . 1 . . . A 18 HIS HD1 . 25660 1 212 . 1 1 18 18 HIS HD2 H 1 0.010 0.004 . 1 . . . A 18 HIS HD2 . 25660 1 213 . 1 1 18 18 HIS HE1 H 1 0.381 0.001 . 1 . . . A 18 HIS HE1 . 25660 1 214 . 1 1 18 18 HIS C C 13 173.588 0.001 . 1 . . . A 18 HIS C . 25660 1 215 . 1 1 18 18 HIS CA C 13 53.514 0.001 . 1 . . . A 18 HIS CA . 25660 1 216 . 1 1 18 18 HIS CB C 13 31.916 0.001 . 1 . . . A 18 HIS CB . 25660 1 217 . 1 1 18 18 HIS N N 15 113.603 0.001 . 1 . . . A 18 HIS N . 25660 1 218 . 1 1 19 19 THR H H 1 7.636 0.002 . 1 . . . A 19 THR H . 25660 1 219 . 1 1 19 19 THR HA H 1 4.413 0.001 . 1 . . . A 19 THR HA . 25660 1 220 . 1 1 19 19 THR HB H 1 4.356 0.001 . 1 . . . A 19 THR HB . 25660 1 221 . 1 1 19 19 THR HG21 H 1 0.989 0.002 . 1 . . . A 19 THR HG21 . 25660 1 222 . 1 1 19 19 THR HG22 H 1 0.989 0.002 . 1 . . . A 19 THR HG22 . 25660 1 223 . 1 1 19 19 THR HG23 H 1 0.989 0.002 . 1 . . . A 19 THR HG23 . 25660 1 224 . 1 1 19 19 THR C C 13 174.026 0.001 . 1 . . . A 19 THR C . 25660 1 225 . 1 1 19 19 THR CA C 13 58.557 0.001 . 1 . . . A 19 THR CA . 25660 1 226 . 1 1 19 19 THR CB C 13 71.176 0.001 . 1 . . . A 19 THR CB . 25660 1 227 . 1 1 19 19 THR CG2 C 13 21.342 0.001 . 1 . . . A 19 THR CG2 . 25660 1 228 . 1 1 19 19 THR N N 15 109.280 0.001 . 1 . . . A 19 THR N . 25660 1 229 . 1 1 20 20 VAL H H 1 7.675 0.001 . 1 . . . A 20 VAL H . 25660 1 230 . 1 1 20 20 VAL HA H 1 3.765 0.001 . 1 . . . A 20 VAL HA . 25660 1 231 . 1 1 20 20 VAL HB H 1 1.426 0.001 . 1 . . . A 20 VAL HB . 25660 1 232 . 1 1 20 20 VAL HG11 H 1 -0.138 0.001 . 1 . . . A 20 VAL HG11 . 25660 1 233 . 1 1 20 20 VAL HG12 H 1 -0.138 0.001 . 1 . . . A 20 VAL HG12 . 25660 1 234 . 1 1 20 20 VAL HG13 H 1 -0.138 0.001 . 1 . . . A 20 VAL HG13 . 25660 1 235 . 1 1 20 20 VAL HG21 H 1 0.278 0.001 . 1 . . . A 20 VAL HG21 . 25660 1 236 . 1 1 20 20 VAL HG22 H 1 0.278 0.001 . 1 . . . A 20 VAL HG22 . 25660 1 237 . 1 1 20 20 VAL HG23 H 1 0.278 0.001 . 1 . . . A 20 VAL HG23 . 25660 1 238 . 1 1 20 20 VAL C C 13 173.470 0.001 . 1 . . . A 20 VAL C . 25660 1 239 . 1 1 20 20 VAL CA C 13 60.794 0.001 . 1 . . . A 20 VAL CA . 25660 1 240 . 1 1 20 20 VAL CB C 13 33.427 0.001 . 1 . . . A 20 VAL CB . 25660 1 241 . 1 1 20 20 VAL CG1 C 13 21.700 0.001 . 1 . . . A 20 VAL CG1 . 25660 1 242 . 1 1 20 20 VAL CG2 C 13 18.074 0.001 . 1 . . . A 20 VAL CG2 . 25660 1 243 . 1 1 20 20 VAL N N 15 110.620 0.001 . 1 . . . A 20 VAL N . 25660 1 244 . 1 1 21 21 GLU HA H 1 4.134 0.002 . 1 . . . A 21 GLU HA . 25660 1 245 . 1 1 21 21 GLU HB2 H 1 1.752 0.002 . 1 . . . A 21 GLU HB2 . 25660 1 246 . 1 1 21 21 GLU HB3 H 1 1.698 0.002 . 1 . . . A 21 GLU HB3 . 25660 1 247 . 1 1 21 21 GLU HG2 H 1 2.066 0.003 . 1 . . . A 21 GLU HG2 . 25660 1 248 . 1 1 21 21 GLU HG3 H 1 2.066 0.003 . 1 . . . A 21 GLU HG3 . 25660 1 249 . 1 1 21 21 GLU C C 13 177.538 0.001 . 1 . . . A 21 GLU C . 25660 1 250 . 1 1 21 21 GLU CA C 13 56.452 0.001 . 1 . . . A 21 GLU CA . 25660 1 251 . 1 1 21 21 GLU CB C 13 29.646 0.001 . 1 . . . A 21 GLU CB . 25660 1 252 . 1 1 21 21 GLU CG C 13 35.631 0.001 . 1 . . . A 21 GLU CG . 25660 1 253 . 1 1 22 22 LYS H H 1 8.717 0.003 . 1 . . . A 22 LYS H . 25660 1 254 . 1 1 22 22 LYS HA H 1 3.052 0.001 . 1 . . . A 22 LYS HA . 25660 1 255 . 1 1 22 22 LYS HB2 H 1 1.206 0.001 . 1 . . . A 22 LYS HB2 . 25660 1 256 . 1 1 22 22 LYS HB3 H 1 0.425 0.001 . 1 . . . A 22 LYS HB3 . 25660 1 257 . 1 1 22 22 LYS HG2 H 1 0.851 0.001 . 1 . . . A 22 LYS HG2 . 25660 1 258 . 1 1 22 22 LYS HG3 H 1 0.686 0.001 . 1 . . . A 22 LYS HG3 . 25660 1 259 . 1 1 22 22 LYS HD2 H 1 1.339 0.001 . 1 . . . A 22 LYS HD2 . 25660 1 260 . 1 1 22 22 LYS HD3 H 1 1.339 0.001 . 1 . . . A 22 LYS HD3 . 25660 1 261 . 1 1 22 22 LYS HE2 H 1 2.769 0.002 . 1 . . . A 22 LYS HE2 . 25660 1 262 . 1 1 22 22 LYS HE3 H 1 2.769 0.002 . 1 . . . A 22 LYS HE3 . 25660 1 263 . 1 1 22 22 LYS C C 13 177.538 0.001 . 1 . . . A 22 LYS C . 25660 1 264 . 1 1 22 22 LYS CA C 13 57.749 0.001 . 1 . . . A 22 LYS CA . 25660 1 265 . 1 1 22 22 LYS CB C 13 30.941 0.001 . 1 . . . A 22 LYS CB . 25660 1 266 . 1 1 22 22 LYS CG C 13 24.010 0.001 . 1 . . . A 22 LYS CG . 25660 1 267 . 1 1 22 22 LYS CD C 13 28.870 0.001 . 1 . . . A 22 LYS CD . 25660 1 268 . 1 1 22 22 LYS CE C 13 41.566 0.001 . 1 . . . A 22 LYS CE . 25660 1 269 . 1 1 22 22 LYS N N 15 126.123 0.001 . 1 . . . A 22 LYS N . 25660 1 270 . 1 1 23 23 GLY H H 1 9.078 0.001 . 1 . . . A 23 GLY H . 25660 1 271 . 1 1 23 23 GLY HA2 H 1 3.441 0.001 . 1 . . . A 23 GLY HA2 . 25660 1 272 . 1 1 23 23 GLY HA3 H 1 3.740 0.001 . 1 . . . A 23 GLY HA3 . 25660 1 273 . 1 1 23 23 GLY C C 13 174.531 0.001 . 1 . . . A 23 GLY C . 25660 1 274 . 1 1 23 23 GLY CA C 13 44.906 0.001 . 1 . . . A 23 GLY CA . 25660 1 275 . 1 1 23 23 GLY N N 15 117.177 0.001 . 1 . . . A 23 GLY N . 25660 1 276 . 1 1 24 24 GLY H H 1 7.730 0.001 . 1 . . . A 24 GLY H . 25660 1 277 . 1 1 24 24 GLY HA2 H 1 3.054 0.003 . 1 . . . A 24 GLY HA2 . 25660 1 278 . 1 1 24 24 GLY HA3 H 1 3.713 0.002 . 1 . . . A 24 GLY HA3 . 25660 1 279 . 1 1 24 24 GLY C C 13 172.234 0.001 . 1 . . . A 24 GLY C . 25660 1 280 . 1 1 24 24 GLY CA C 13 44.146 0.001 . 1 . . . A 24 GLY CA . 25660 1 281 . 1 1 24 24 GLY N N 15 107.042 0.001 . 1 . . . A 24 GLY N . 25660 1 282 . 1 1 25 25 LYS H H 1 8.222 0.001 . 1 . . . A 25 LYS H . 25660 1 283 . 1 1 25 25 LYS HA H 1 3.833 0.002 . 1 . . . A 25 LYS HA . 25660 1 284 . 1 1 25 25 LYS HB2 H 1 1.563 0.001 . 1 . . . A 25 LYS HB2 . 25660 1 285 . 1 1 25 25 LYS HB3 H 1 1.379 0.001 . 1 . . . A 25 LYS HB3 . 25660 1 286 . 1 1 25 25 LYS HG2 H 1 1.216 0.001 . 1 . . . A 25 LYS HG2 . 25660 1 287 . 1 1 25 25 LYS HG3 H 1 1.216 0.001 . 1 . . . A 25 LYS HG3 . 25660 1 288 . 1 1 25 25 LYS HD2 H 1 1.451 0.001 . 1 . . . A 25 LYS HD2 . 25660 1 289 . 1 1 25 25 LYS HD3 H 1 1.451 0.001 . 1 . . . A 25 LYS HD3 . 25660 1 290 . 1 1 25 25 LYS HE2 H 1 2.797 0.001 . 1 . . . A 25 LYS HE2 . 25660 1 291 . 1 1 25 25 LYS HE3 H 1 2.797 0.001 . 1 . . . A 25 LYS HE3 . 25660 1 292 . 1 1 25 25 LYS C C 13 178.209 0.001 . 1 . . . A 25 LYS C . 25660 1 293 . 1 1 25 25 LYS CA C 13 55.712 0.001 . 1 . . . A 25 LYS CA . 25660 1 294 . 1 1 25 25 LYS CB C 13 32.861 0.001 . 1 . . . A 25 LYS CB . 25660 1 295 . 1 1 25 25 LYS CG C 13 24.281 0.001 . 1 . . . A 25 LYS CG . 25660 1 296 . 1 1 25 25 LYS CD C 13 28.514 0.001 . 1 . . . A 25 LYS CD . 25660 1 297 . 1 1 25 25 LYS CE C 13 41.714 0.001 . 1 . . . A 25 LYS CE . 25660 1 298 . 1 1 25 25 LYS N N 15 118.452 0.001 . 1 . . . A 25 LYS N . 25660 1 299 . 1 1 26 26 HIS H H 1 8.545 0.002 . 1 . . . A 26 HIS H . 25660 1 300 . 1 1 26 26 HIS HA H 1 4.192 0.001 . 1 . . . A 26 HIS HA . 25660 1 301 . 1 1 26 26 HIS HB2 H 1 2.969 0.001 . 1 . . . A 26 HIS HB2 . 25660 1 302 . 1 1 26 26 HIS HB3 H 1 2.859 0.001 . 1 . . . A 26 HIS HB3 . 25660 1 303 . 1 1 26 26 HIS HD1 H 1 6.948 0.001 . 1 . . . A 26 HIS HD1 . 25660 1 304 . 1 1 26 26 HIS HD2 H 1 6.730 0.003 . 1 . . . A 26 HIS HD2 . 25660 1 305 . 1 1 26 26 HIS C C 13 175.081 0.001 . 1 . . . A 26 HIS C . 25660 1 306 . 1 1 26 26 HIS CA C 13 55.813 0.001 . 1 . . . A 26 HIS CA . 25660 1 307 . 1 1 26 26 HIS CB C 13 30.173 0.001 . 1 . . . A 26 HIS CB . 25660 1 308 . 1 1 26 26 HIS N N 15 122.465 0.001 . 1 . . . A 26 HIS N . 25660 1 309 . 1 1 27 27 LYS H H 1 7.439 0.002 . 1 . . . A 27 LYS H . 25660 1 310 . 1 1 27 27 LYS HA H 1 4.370 0.001 . 1 . . . A 27 LYS HA . 25660 1 311 . 1 1 27 27 LYS HB2 H 1 1.671 0.001 . 1 . . . A 27 LYS HB2 . 25660 1 312 . 1 1 27 27 LYS HB3 H 1 0.964 0.001 . 1 . . . A 27 LYS HB3 . 25660 1 313 . 1 1 27 27 LYS HG2 H 1 0.954 0.001 . 1 . . . A 27 LYS HG2 . 25660 1 314 . 1 1 27 27 LYS HG3 H 1 0.954 0.001 . 1 . . . A 27 LYS HG3 . 25660 1 315 . 1 1 27 27 LYS HD2 H 1 1.235 0.001 . 1 . . . A 27 LYS HD2 . 25660 1 316 . 1 1 27 27 LYS HD3 H 1 1.011 0.001 . 1 . . . A 27 LYS HD3 . 25660 1 317 . 1 1 27 27 LYS HE2 H 1 2.386 0.001 . 1 . . . A 27 LYS HE2 . 25660 1 318 . 1 1 27 27 LYS HE3 H 1 2.386 0.001 . 1 . . . A 27 LYS HE3 . 25660 1 319 . 1 1 27 27 LYS C C 13 175.781 0.001 . 1 . . . A 27 LYS C . 25660 1 320 . 1 1 27 27 LYS CA C 13 55.066 0.001 . 1 . . . A 27 LYS CA . 25660 1 321 . 1 1 27 27 LYS CB C 13 30.731 0.001 . 1 . . . A 27 LYS CB . 25660 1 322 . 1 1 27 27 LYS CG C 13 24.155 0.001 . 1 . . . A 27 LYS CG . 25660 1 323 . 1 1 27 27 LYS CD C 13 29.035 0.001 . 1 . . . A 27 LYS CD . 25660 1 324 . 1 1 27 27 LYS CE C 13 41.341 0.001 . 1 . . . A 27 LYS CE . 25660 1 325 . 1 1 27 27 LYS N N 15 126.571 0.001 . 1 . . . A 27 LYS N . 25660 1 326 . 1 1 28 28 THR HA H 1 4.017 0.001 . 1 . . . A 28 THR HA . 25660 1 327 . 1 1 28 28 THR HB H 1 4.101 0.008 . 1 . . . A 28 THR HB . 25660 1 328 . 1 1 28 28 THR HG21 H 1 1.917 0.003 . 1 . . . A 28 THR HG21 . 25660 1 329 . 1 1 28 28 THR HG22 H 1 1.917 0.003 . 1 . . . A 28 THR HG22 . 25660 1 330 . 1 1 28 28 THR HG23 H 1 1.917 0.003 . 1 . . . A 28 THR HG23 . 25660 1 331 . 1 1 28 28 THR C C 13 174.931 0.001 . 1 . . . A 28 THR C . 25660 1 332 . 1 1 28 28 THR CA C 13 67.083 0.001 . 1 . . . A 28 THR CA . 25660 1 333 . 1 1 28 28 THR CB C 13 69.766 0.001 . 1 . . . A 28 THR CB . 25660 1 334 . 1 1 28 28 THR CG2 C 13 22.205 0.001 . 1 . . . A 28 THR CG2 . 25660 1 335 . 1 1 29 29 GLY H H 1 7.548 0.002 . 1 . . . A 29 GLY H . 25660 1 336 . 1 1 29 29 GLY HA2 H 1 -0.072 0.002 . 1 . . . A 29 GLY HA2 . 25660 1 337 . 1 1 29 29 GLY HA3 H 1 3.704 0.001 . 1 . . . A 29 GLY HA3 . 25660 1 338 . 1 1 29 29 GLY C C 13 169.328 0.001 . 1 . . . A 29 GLY C . 25660 1 339 . 1 1 29 29 GLY CA C 13 40.882 0.001 . 1 . . . A 29 GLY CA . 25660 1 340 . 1 1 29 29 GLY N N 15 106.150 0.001 . 1 . . . A 29 GLY N . 25660 1 341 . 1 1 30 30 PRO HA H 1 3.590 0.001 . 1 . . . A 30 PRO HA . 25660 1 342 . 1 1 30 30 PRO HB2 H 1 1.230 0.001 . 1 . . . A 30 PRO HB2 . 25660 1 343 . 1 1 30 30 PRO HB3 H 1 1.230 0.001 . 1 . . . A 30 PRO HB3 . 25660 1 344 . 1 1 30 30 PRO HG2 H 1 0.733 0.001 . 1 . . . A 30 PRO HG2 . 25660 1 345 . 1 1 30 30 PRO HG3 H 1 0.733 0.001 . 1 . . . A 30 PRO HG3 . 25660 1 346 . 1 1 30 30 PRO HD2 H 1 2.540 0.001 . 1 . . . A 30 PRO HD2 . 25660 1 347 . 1 1 30 30 PRO HD3 H 1 1.516 0.001 . 1 . . . A 30 PRO HD3 . 25660 1 348 . 1 1 30 30 PRO CA C 13 60.269 0.001 . 1 . . . A 30 PRO CA . 25660 1 349 . 1 1 30 30 PRO CB C 13 31.020 0.001 . 1 . . . A 30 PRO CB . 25660 1 350 . 1 1 30 30 PRO CG C 13 26.377 0.001 . 1 . . . A 30 PRO CG . 25660 1 351 . 1 1 30 30 PRO CD C 13 48.500 0.001 . 1 . . . A 30 PRO CD . 25660 1 352 . 1 1 31 31 ASN H H 1 10.198 0.001 . 1 . . . A 31 ASN H . 25660 1 353 . 1 1 31 31 ASN HA H 1 4.023 0.002 . 1 . . . A 31 ASN HA . 25660 1 354 . 1 1 31 31 ASN HB2 H 1 2.013 0.018 . 1 . . . A 31 ASN HB2 . 25660 1 355 . 1 1 31 31 ASN HB3 H 1 1.919 0.002 . 1 . . . A 31 ASN HB3 . 25660 1 356 . 1 1 31 31 ASN HD21 H 1 7.325 0.001 . 1 . . . A 31 ASN HD21 . 25660 1 357 . 1 1 31 31 ASN HD22 H 1 7.924 0.002 . 1 . . . A 31 ASN HD22 . 25660 1 358 . 1 1 31 31 ASN C C 13 176.303 0.001 . 1 . . . A 31 ASN C . 25660 1 359 . 1 1 31 31 ASN CA C 13 54.344 0.001 . 1 . . . A 31 ASN CA . 25660 1 360 . 1 1 31 31 ASN CB C 13 39.785 0.001 . 1 . . . A 31 ASN CB . 25660 1 361 . 1 1 31 31 ASN ND2 N 15 115.086 0.018 . 1 . . . A 31 ASN ND2 . 25660 1 362 . 1 1 32 32 LEU H H 1 7.889 0.002 . 1 . . . A 32 LEU H . 25660 1 363 . 1 1 32 32 LEU HA H 1 3.867 0.005 . 1 . . . A 32 LEU HA . 25660 1 364 . 1 1 32 32 LEU HB2 H 1 1.326 0.002 . 1 . . . A 32 LEU HB2 . 25660 1 365 . 1 1 32 32 LEU HB3 H 1 0.997 0.002 . 1 . . . A 32 LEU HB3 . 25660 1 366 . 1 1 32 32 LEU HG H 1 0.379 0.001 . 1 . . . A 32 LEU HG . 25660 1 367 . 1 1 32 32 LEU HD11 H 1 -0.869 0.004 . 1 . . . A 32 LEU HD11 . 25660 1 368 . 1 1 32 32 LEU HD12 H 1 -0.869 0.004 . 1 . . . A 32 LEU HD12 . 25660 1 369 . 1 1 32 32 LEU HD13 H 1 -0.869 0.004 . 1 . . . A 32 LEU HD13 . 25660 1 370 . 1 1 32 32 LEU HD21 H 1 -0.761 0.002 . 1 . . . A 32 LEU HD21 . 25660 1 371 . 1 1 32 32 LEU HD22 H 1 -0.761 0.002 . 1 . . . A 32 LEU HD22 . 25660 1 372 . 1 1 32 32 LEU HD23 H 1 -0.761 0.002 . 1 . . . A 32 LEU HD23 . 25660 1 373 . 1 1 32 32 LEU C C 13 174.533 0.001 . 1 . . . A 32 LEU C . 25660 1 374 . 1 1 32 32 LEU CA C 13 53.287 0.001 . 1 . . . A 32 LEU CA . 25660 1 375 . 1 1 32 32 LEU CB C 13 42.520 0.001 . 1 . . . A 32 LEU CB . 25660 1 376 . 1 1 32 32 LEU CG C 13 24.726 0.001 . 1 . . . A 32 LEU CG . 25660 1 377 . 1 1 32 32 LEU CD1 C 13 23.361 0.001 . 1 . . . A 32 LEU CD1 . 25660 1 378 . 1 1 32 32 LEU CD2 C 13 20.335 0.001 . 1 . . . A 32 LEU CD2 . 25660 1 379 . 1 1 32 32 LEU N N 15 121.653 0.001 . 1 . . . A 32 LEU N . 25660 1 380 . 1 1 33 33 HIS H H 1 7.445 0.002 . 1 . . . A 33 HIS H . 25660 1 381 . 1 1 33 33 HIS HA H 1 3.707 0.002 . 1 . . . A 33 HIS HA . 25660 1 382 . 1 1 33 33 HIS HB2 H 1 2.822 0.001 . 1 . . . A 33 HIS HB2 . 25660 1 383 . 1 1 33 33 HIS HB3 H 1 2.770 0.002 . 1 . . . A 33 HIS HB3 . 25660 1 384 . 1 1 33 33 HIS HE1 H 1 7.285 0.001 . 1 . . . A 33 HIS HE1 . 25660 1 385 . 1 1 33 33 HIS C C 13 176.992 0.001 . 1 . . . A 33 HIS C . 25660 1 386 . 1 1 33 33 HIS CA C 13 60.491 0.001 . 1 . . . A 33 HIS CA . 25660 1 387 . 1 1 33 33 HIS CB C 13 28.223 0.001 . 1 . . . A 33 HIS CB . 25660 1 388 . 1 1 33 33 HIS N N 15 119.860 0.001 . 1 . . . A 33 HIS N . 25660 1 389 . 1 1 34 34 GLY H H 1 8.763 0.001 . 1 . . . A 34 GLY H . 25660 1 390 . 1 1 34 34 GLY HA2 H 1 3.638 0.001 . 1 . . . A 34 GLY HA2 . 25660 1 391 . 1 1 34 34 GLY HA3 H 1 3.847 0.002 . 1 . . . A 34 GLY HA3 . 25660 1 392 . 1 1 34 34 GLY C C 13 174.473 0.001 . 1 . . . A 34 GLY C . 25660 1 393 . 1 1 34 34 GLY CA C 13 45.713 0.001 . 1 . . . A 34 GLY CA . 25660 1 394 . 1 1 34 34 GLY N N 15 114.645 0.001 . 1 . . . A 34 GLY N . 25660 1 395 . 1 1 35 35 LEU H H 1 7.010 0.002 . 1 . . . A 35 LEU H . 25660 1 396 . 1 1 35 35 LEU HA H 1 3.527 0.001 . 1 . . . A 35 LEU HA . 25660 1 397 . 1 1 35 35 LEU HB2 H 1 2.086 0.008 . 1 . . . A 35 LEU HB2 . 25660 1 398 . 1 1 35 35 LEU HB3 H 1 1.456 0.002 . 1 . . . A 35 LEU HB3 . 25660 1 399 . 1 1 35 35 LEU HG H 1 1.115 0.008 . 1 . . . A 35 LEU HG . 25660 1 400 . 1 1 35 35 LEU HD11 H 1 0.704 0.001 . 1 . . . A 35 LEU HD11 . 25660 1 401 . 1 1 35 35 LEU HD12 H 1 0.704 0.001 . 1 . . . A 35 LEU HD12 . 25660 1 402 . 1 1 35 35 LEU HD13 H 1 0.704 0.001 . 1 . . . A 35 LEU HD13 . 25660 1 403 . 1 1 35 35 LEU HD21 H 1 0.572 0.002 . 1 . . . A 35 LEU HD21 . 25660 1 404 . 1 1 35 35 LEU HD22 H 1 0.572 0.002 . 1 . . . A 35 LEU HD22 . 25660 1 405 . 1 1 35 35 LEU HD23 H 1 0.572 0.002 . 1 . . . A 35 LEU HD23 . 25660 1 406 . 1 1 35 35 LEU C C 13 176.507 0.001 . 1 . . . A 35 LEU C . 25660 1 407 . 1 1 35 35 LEU CA C 13 57.459 0.001 . 1 . . . A 35 LEU CA . 25660 1 408 . 1 1 35 35 LEU CB C 13 43.808 0.001 . 1 . . . A 35 LEU CB . 25660 1 409 . 1 1 35 35 LEU CG C 13 26.652 0.001 . 1 . . . A 35 LEU CG . 25660 1 410 . 1 1 35 35 LEU CD1 C 13 26.583 0.001 . 1 . . . A 35 LEU CD1 . 25660 1 411 . 1 1 35 35 LEU CD2 C 13 23.869 0.001 . 1 . . . A 35 LEU CD2 . 25660 1 412 . 1 1 35 35 LEU N N 15 117.774 0.001 . 1 . . . A 35 LEU N . 25660 1 413 . 1 1 36 36 PHE H H 1 8.694 0.001 . 1 . . . A 36 PHE H . 25660 1 414 . 1 1 36 36 PHE HA H 1 3.848 0.001 . 1 . . . A 36 PHE HA . 25660 1 415 . 1 1 36 36 PHE HB2 H 1 3.185 0.001 . 1 . . . A 36 PHE HB2 . 25660 1 416 . 1 1 36 36 PHE HB3 H 1 2.770 0.001 . 1 . . . A 36 PHE HB3 . 25660 1 417 . 1 1 36 36 PHE HD1 H 1 7.305 0.001 . 1 . . . A 36 PHE HD1 . 25660 1 418 . 1 1 36 36 PHE HD2 H 1 7.305 0.001 . 1 . . . A 36 PHE HD2 . 25660 1 419 . 1 1 36 36 PHE HE1 H 1 6.773 0.001 . 1 . . . A 36 PHE HE1 . 25660 1 420 . 1 1 36 36 PHE HE2 H 1 6.773 0.001 . 1 . . . A 36 PHE HE2 . 25660 1 421 . 1 1 36 36 PHE C C 13 176.553 0.001 . 1 . . . A 36 PHE C . 25660 1 422 . 1 1 36 36 PHE CA C 13 59.702 0.001 . 1 . . . A 36 PHE CA . 25660 1 423 . 1 1 36 36 PHE CB C 13 36.223 0.001 . 1 . . . A 36 PHE CB . 25660 1 424 . 1 1 36 36 PHE N N 15 113.600 0.001 . 1 . . . A 36 PHE N . 25660 1 425 . 1 1 37 37 GLY H H 1 8.839 0.001 . 1 . . . A 37 GLY H . 25660 1 426 . 1 1 37 37 GLY HA2 H 1 3.432 0.001 . 1 . . . A 37 GLY HA2 . 25660 1 427 . 1 1 37 37 GLY HA3 H 1 4.428 0.001 . 1 . . . A 37 GLY HA3 . 25660 1 428 . 1 1 37 37 GLY C C 13 173.382 0.001 . 1 . . . A 37 GLY C . 25660 1 429 . 1 1 37 37 GLY CA C 13 44.455 0.001 . 1 . . . A 37 GLY CA . 25660 1 430 . 1 1 37 37 GLY N N 15 112.857 0.001 . 1 . . . A 37 GLY N . 25660 1 431 . 1 1 38 38 ARG H H 1 8.215 0.001 . 1 . . . A 38 ARG H . 25660 1 432 . 1 1 38 38 ARG HA H 1 4.449 0.001 . 1 . . . A 38 ARG HA . 25660 1 433 . 1 1 38 38 ARG HB2 H 1 2.084 0.001 . 1 . . . A 38 ARG HB2 . 25660 1 434 . 1 1 38 38 ARG HB3 H 1 2.084 0.001 . 1 . . . A 38 ARG HB3 . 25660 1 435 . 1 1 38 38 ARG HG2 H 1 2.143 0.001 . 1 . . . A 38 ARG HG2 . 25660 1 436 . 1 1 38 38 ARG HG3 H 1 1.833 0.001 . 1 . . . A 38 ARG HG3 . 25660 1 437 . 1 1 38 38 ARG HD2 H 1 3.169 0.001 . 1 . . . A 38 ARG HD2 . 25660 1 438 . 1 1 38 38 ARG HD3 H 1 3.080 0.001 . 1 . . . A 38 ARG HD3 . 25660 1 439 . 1 1 38 38 ARG HE H 1 6.230 0.001 . 1 . . . A 38 ARG HE . 25660 1 440 . 1 1 38 38 ARG C C 13 174.415 0.001 . 1 . . . A 38 ARG C . 25660 1 441 . 1 1 38 38 ARG CA C 13 55.764 0.001 . 1 . . . A 38 ARG CA . 25660 1 442 . 1 1 38 38 ARG CB C 13 32.411 0.001 . 1 . . . A 38 ARG CB . 25660 1 443 . 1 1 38 38 ARG CG C 13 26.072 0.001 . 1 . . . A 38 ARG CG . 25660 1 444 . 1 1 38 38 ARG CD C 13 45.037 0.001 . 1 . . . A 38 ARG CD . 25660 1 445 . 1 1 38 38 ARG N N 15 124.035 0.001 . 1 . . . A 38 ARG N . 25660 1 446 . 1 1 39 39 LYS H H 1 8.147 0.002 . 1 . . . A 39 LYS H . 25660 1 447 . 1 1 39 39 LYS HA H 1 4.847 0.001 . 1 . . . A 39 LYS HA . 25660 1 448 . 1 1 39 39 LYS HB2 H 1 1.670 0.001 . 1 . . . A 39 LYS HB2 . 25660 1 449 . 1 1 39 39 LYS HB3 H 1 1.475 0.001 . 1 . . . A 39 LYS HB3 . 25660 1 450 . 1 1 39 39 LYS HG2 H 1 1.322 0.001 . 1 . . . A 39 LYS HG2 . 25660 1 451 . 1 1 39 39 LYS HG3 H 1 1.322 0.001 . 1 . . . A 39 LYS HG3 . 25660 1 452 . 1 1 39 39 LYS HD2 H 1 1.503 0.001 . 1 . . . A 39 LYS HD2 . 25660 1 453 . 1 1 39 39 LYS HD3 H 1 1.503 0.001 . 1 . . . A 39 LYS HD3 . 25660 1 454 . 1 1 39 39 LYS HE2 H 1 2.799 0.002 . 1 . . . A 39 LYS HE2 . 25660 1 455 . 1 1 39 39 LYS HE3 H 1 2.799 0.002 . 1 . . . A 39 LYS HE3 . 25660 1 456 . 1 1 39 39 LYS C C 13 172.219 0.001 . 1 . . . A 39 LYS C . 25660 1 457 . 1 1 39 39 LYS CA C 13 55.199 0.001 . 1 . . . A 39 LYS CA . 25660 1 458 . 1 1 39 39 LYS CB C 13 33.682 0.001 . 1 . . . A 39 LYS CB . 25660 1 459 . 1 1 39 39 LYS CG C 13 25.303 0.001 . 1 . . . A 39 LYS CG . 25660 1 460 . 1 1 39 39 LYS CD C 13 29.200 0.001 . 1 . . . A 39 LYS CD . 25660 1 461 . 1 1 39 39 LYS CE C 13 41.608 0.001 . 1 . . . A 39 LYS CE . 25660 1 462 . 1 1 39 39 LYS N N 15 123.290 0.001 . 1 . . . A 39 LYS N . 25660 1 463 . 1 1 40 40 THR H H 1 7.804 0.003 . 1 . . . A 40 THR H . 25660 1 464 . 1 1 40 40 THR HA H 1 4.463 0.002 . 1 . . . A 40 THR HA . 25660 1 465 . 1 1 40 40 THR HB H 1 4.214 0.001 . 1 . . . A 40 THR HB . 25660 1 466 . 1 1 40 40 THR HG21 H 1 0.825 0.003 . 1 . . . A 40 THR HG21 . 25660 1 467 . 1 1 40 40 THR HG22 H 1 0.825 0.003 . 1 . . . A 40 THR HG22 . 25660 1 468 . 1 1 40 40 THR HG23 H 1 0.825 0.003 . 1 . . . A 40 THR HG23 . 25660 1 469 . 1 1 40 40 THR C C 13 175.638 0.001 . 1 . . . A 40 THR C . 25660 1 470 . 1 1 40 40 THR CA C 13 61.920 0.001 . 1 . . . A 40 THR CA . 25660 1 471 . 1 1 40 40 THR CB C 13 68.539 0.001 . 1 . . . A 40 THR CB . 25660 1 472 . 1 1 40 40 THR CG2 C 13 22.233 0.001 . 1 . . . A 40 THR CG2 . 25660 1 473 . 1 1 40 40 THR N N 15 113.158 0.001 . 1 . . . A 40 THR N . 25660 1 474 . 1 1 41 41 GLY H H 1 9.040 0.007 . 1 . . . A 41 GLY H . 25660 1 475 . 1 1 41 41 GLY HA2 H 1 3.591 0.001 . 1 . . . A 41 GLY HA2 . 25660 1 476 . 1 1 41 41 GLY HA3 H 1 3.700 0.001 . 1 . . . A 41 GLY HA3 . 25660 1 477 . 1 1 41 41 GLY C C 13 174.720 0.001 . 1 . . . A 41 GLY C . 25660 1 478 . 1 1 41 41 GLY CA C 13 46.409 0.001 . 1 . . . A 41 GLY CA . 25660 1 479 . 1 1 41 41 GLY N N 15 111.811 0.001 . 1 . . . A 41 GLY N . 25660 1 480 . 1 1 42 42 GLN H H 1 8.084 0.001 . 1 . . . A 42 GLN H . 25660 1 481 . 1 1 42 42 GLN HA H 1 4.354 0.001 . 1 . . . A 42 GLN HA . 25660 1 482 . 1 1 42 42 GLN HB2 H 1 2.181 0.001 . 1 . . . A 42 GLN HB2 . 25660 1 483 . 1 1 42 42 GLN HB3 H 1 1.832 0.001 . 1 . . . A 42 GLN HB3 . 25660 1 484 . 1 1 42 42 GLN HG2 H 1 2.206 0.001 . 1 . . . A 42 GLN HG2 . 25660 1 485 . 1 1 42 42 GLN HG3 H 1 2.145 0.001 . 1 . . . A 42 GLN HG3 . 25660 1 486 . 1 1 42 42 GLN HE21 H 1 6.783 0.001 . 1 . . . A 42 GLN HE21 . 25660 1 487 . 1 1 42 42 GLN HE22 H 1 7.470 0.001 . 1 . . . A 42 GLN HE22 . 25660 1 488 . 1 1 42 42 GLN C C 13 175.152 0.001 . 1 . . . A 42 GLN C . 25660 1 489 . 1 1 42 42 GLN CA C 13 54.615 0.001 . 1 . . . A 42 GLN CA . 25660 1 490 . 1 1 42 42 GLN CB C 13 28.977 0.001 . 1 . . . A 42 GLN CB . 25660 1 491 . 1 1 42 42 GLN CG C 13 33.733 0.001 . 1 . . . A 42 GLN CG . 25660 1 492 . 1 1 42 42 GLN N N 15 117.180 0.001 . 1 . . . A 42 GLN N . 25660 1 493 . 1 1 42 42 GLN NE2 N 15 112.579 0.001 . 1 . . . A 42 GLN NE2 . 25660 1 494 . 1 1 43 43 ALA H H 1 8.063 0.002 . 1 . . . A 43 ALA H . 25660 1 495 . 1 1 43 43 ALA HA H 1 4.536 0.001 . 1 . . . A 43 ALA HA . 25660 1 496 . 1 1 43 43 ALA HB1 H 1 1.290 0.001 . 1 . . . A 43 ALA HB1 . 25660 1 497 . 1 1 43 43 ALA HB2 H 1 1.290 0.001 . 1 . . . A 43 ALA HB2 . 25660 1 498 . 1 1 43 43 ALA HB3 H 1 1.290 0.001 . 1 . . . A 43 ALA HB3 . 25660 1 499 . 1 1 43 43 ALA C C 13 175.308 0.001 . 1 . . . A 43 ALA C . 25660 1 500 . 1 1 43 43 ALA CA C 13 49.991 0.001 . 1 . . . A 43 ALA CA . 25660 1 501 . 1 1 43 43 ALA CB C 13 18.488 0.001 . 1 . . . A 43 ALA CB . 25660 1 502 . 1 1 43 43 ALA N N 15 125.825 0.001 . 1 . . . A 43 ALA N . 25660 1 503 . 1 1 44 44 PRO HA H 1 4.356 0.001 . 1 . . . A 44 PRO HA . 25660 1 504 . 1 1 44 44 PRO HB2 H 1 1.870 0.001 . 1 . . . A 44 PRO HB2 . 25660 1 505 . 1 1 44 44 PRO HB3 H 1 2.147 0.001 . 1 . . . A 44 PRO HB3 . 25660 1 506 . 1 1 44 44 PRO HG2 H 1 1.934 0.001 . 1 . . . A 44 PRO HG2 . 25660 1 507 . 1 1 44 44 PRO HG3 H 1 2.064 0.001 . 1 . . . A 44 PRO HG3 . 25660 1 508 . 1 1 44 44 PRO HD2 H 1 3.658 0.001 . 1 . . . A 44 PRO HD2 . 25660 1 509 . 1 1 44 44 PRO HD3 H 1 3.949 0.001 . 1 . . . A 44 PRO HD3 . 25660 1 510 . 1 1 44 44 PRO C C 13 178.294 0.001 . 1 . . . A 44 PRO C . 25660 1 511 . 1 1 44 44 PRO CA C 13 63.456 0.001 . 1 . . . A 44 PRO CA . 25660 1 512 . 1 1 44 44 PRO CB C 13 31.514 0.001 . 1 . . . A 44 PRO CB . 25660 1 513 . 1 1 44 44 PRO CG C 13 27.383 0.001 . 1 . . . A 44 PRO CG . 25660 1 514 . 1 1 44 44 PRO CD C 13 50.659 0.001 . 1 . . . A 44 PRO CD . 25660 1 515 . 1 1 45 45 GLY H H 1 8.831 0.001 . 1 . . . A 45 GLY H . 25660 1 516 . 1 1 45 45 GLY HA2 H 1 3.723 0.001 . 1 . . . A 45 GLY HA2 . 25660 1 517 . 1 1 45 45 GLY HA3 H 1 4.098 0.001 . 1 . . . A 45 GLY HA3 . 25660 1 518 . 1 1 45 45 GLY C C 13 173.301 0.001 . 1 . . . A 45 GLY C . 25660 1 519 . 1 1 45 45 GLY CA C 13 45.350 0.001 . 1 . . . A 45 GLY CA . 25660 1 520 . 1 1 45 45 GLY N N 15 112.024 0.001 . 1 . . . A 45 GLY N . 25660 1 521 . 1 1 46 46 TYR H H 1 7.661 0.001 . 1 . . . A 46 TYR H . 25660 1 522 . 1 1 46 46 TYR HA H 1 4.192 0.001 . 1 . . . A 46 TYR HA . 25660 1 523 . 1 1 46 46 TYR HB2 H 1 2.720 0.001 . 1 . . . A 46 TYR HB2 . 25660 1 524 . 1 1 46 46 TYR HB3 H 1 2.720 0.001 . 1 . . . A 46 TYR HB3 . 25660 1 525 . 1 1 46 46 TYR HD1 H 1 6.744 0.001 . 1 . . . A 46 TYR HD1 . 25660 1 526 . 1 1 46 46 TYR HD2 H 1 6.744 0.001 . 1 . . . A 46 TYR HD2 . 25660 1 527 . 1 1 46 46 TYR HE1 H 1 6.704 0.001 . 1 . . . A 46 TYR HE1 . 25660 1 528 . 1 1 46 46 TYR HE2 H 1 6.704 0.001 . 1 . . . A 46 TYR HE2 . 25660 1 529 . 1 1 46 46 TYR C C 13 174.910 0.001 . 1 . . . A 46 TYR C . 25660 1 530 . 1 1 46 46 TYR CA C 13 57.515 0.001 . 1 . . . A 46 TYR CA . 25660 1 531 . 1 1 46 46 TYR CB C 13 39.539 0.001 . 1 . . . A 46 TYR CB . 25660 1 532 . 1 1 46 46 TYR N N 15 120.307 0.001 . 1 . . . A 46 TYR N . 25660 1 533 . 1 1 47 47 SER H H 1 6.579 0.001 . 1 . . . A 47 SER H . 25660 1 534 . 1 1 47 47 SER HA H 1 4.151 0.001 . 1 . . . A 47 SER HA . 25660 1 535 . 1 1 47 47 SER HB2 H 1 3.486 0.001 . 1 . . . A 47 SER HB2 . 25660 1 536 . 1 1 47 47 SER HB3 H 1 3.486 0.001 . 1 . . . A 47 SER HB3 . 25660 1 537 . 1 1 48 48 CMF HD H 1 7.206 0.001 . 1 . . . . 48 CMF QD . 25660 1 538 . 1 1 48 48 CMF HE H 1 7.165 0.001 . 1 . . . . 48 CMF QE . 25660 1 539 . 1 1 49 49 THR HA H 1 4.330 0.001 . 1 . . . A 49 THR HA . 25660 1 540 . 1 1 49 49 THR HB H 1 4.445 0.001 . 1 . . . A 49 THR HB . 25660 1 541 . 1 1 49 49 THR HG21 H 1 1.377 0.001 . 1 . . . A 49 THR HG21 . 25660 1 542 . 1 1 49 49 THR HG22 H 1 1.377 0.001 . 1 . . . A 49 THR HG22 . 25660 1 543 . 1 1 49 49 THR HG23 H 1 1.377 0.001 . 1 . . . A 49 THR HG23 . 25660 1 544 . 1 1 49 49 THR C C 13 175.235 0.001 . 1 . . . A 49 THR C . 25660 1 545 . 1 1 49 49 THR CA C 13 61.555 0.001 . 1 . . . A 49 THR CA . 25660 1 546 . 1 1 49 49 THR CB C 13 70.660 0.001 . 1 . . . A 49 THR CB . 25660 1 547 . 1 1 49 49 THR CG2 C 13 21.696 0.001 . 1 . . . A 49 THR CG2 . 25660 1 548 . 1 1 50 50 ALA H H 1 8.507 0.001 . 1 . . . A 50 ALA H . 25660 1 549 . 1 1 50 50 ALA HA H 1 4.166 0.001 . 1 . . . A 50 ALA HA . 25660 1 550 . 1 1 50 50 ALA HB1 H 1 1.360 0.002 . 1 . . . A 50 ALA HB1 . 25660 1 551 . 1 1 50 50 ALA HB2 H 1 1.360 0.002 . 1 . . . A 50 ALA HB2 . 25660 1 552 . 1 1 50 50 ALA HB3 H 1 1.360 0.002 . 1 . . . A 50 ALA HB3 . 25660 1 553 . 1 1 50 50 ALA C C 13 178.430 0.001 . 1 . . . A 50 ALA C . 25660 1 554 . 1 1 50 50 ALA CA C 13 53.813 0.001 . 1 . . . A 50 ALA CA . 25660 1 555 . 1 1 50 50 ALA CB C 13 17.942 0.001 . 1 . . . A 50 ALA CB . 25660 1 556 . 1 1 50 50 ALA N N 15 125.381 0.001 . 1 . . . A 50 ALA N . 25660 1 557 . 1 1 51 51 ALA HA H 1 3.993 0.001 . 1 . . . A 51 ALA HA . 25660 1 558 . 1 1 51 51 ALA HB1 H 1 1.253 0.001 . 1 . . . A 51 ALA HB1 . 25660 1 559 . 1 1 51 51 ALA HB2 H 1 1.253 0.001 . 1 . . . A 51 ALA HB2 . 25660 1 560 . 1 1 51 51 ALA HB3 H 1 1.253 0.001 . 1 . . . A 51 ALA HB3 . 25660 1 561 . 1 1 51 51 ALA C C 13 178.634 0.001 . 1 . . . A 51 ALA C . 25660 1 562 . 1 1 51 51 ALA CA C 13 53.932 0.001 . 1 . . . A 51 ALA CA . 25660 1 563 . 1 1 51 51 ALA CB C 13 18.249 0.001 . 1 . . . A 51 ALA CB . 25660 1 564 . 1 1 52 52 ASN H H 1 8.286 0.001 . 1 . . . A 52 ASN H . 25660 1 565 . 1 1 52 52 ASN HA H 1 4.329 0.001 . 1 . . . A 52 ASN HA . 25660 1 566 . 1 1 52 52 ASN HB2 H 1 2.949 0.002 . 1 . . . A 52 ASN HB2 . 25660 1 567 . 1 1 52 52 ASN HB3 H 1 2.825 0.001 . 1 . . . A 52 ASN HB3 . 25660 1 568 . 1 1 52 52 ASN C C 13 176.255 0.001 . 1 . . . A 52 ASN C . 25660 1 569 . 1 1 52 52 ASN CA C 13 55.769 0.001 . 1 . . . A 52 ASN CA . 25660 1 570 . 1 1 52 52 ASN CB C 13 39.253 0.001 . 1 . . . A 52 ASN CB . 25660 1 571 . 1 1 52 52 ASN N N 15 117.178 0.001 . 1 . . . A 52 ASN N . 25660 1 572 . 1 1 53 53 LYS H H 1 8.152 0.001 . 1 . . . A 53 LYS H . 25660 1 573 . 1 1 53 53 LYS HA H 1 3.728 0.001 . 1 . . . A 53 LYS HA . 25660 1 574 . 1 1 53 53 LYS HB2 H 1 1.813 0.001 . 1 . . . A 53 LYS HB2 . 25660 1 575 . 1 1 53 53 LYS HB3 H 1 1.742 0.002 . 1 . . . A 53 LYS HB3 . 25660 1 576 . 1 1 53 53 LYS HG2 H 1 1.444 0.001 . 1 . . . A 53 LYS HG2 . 25660 1 577 . 1 1 53 53 LYS HG3 H 1 1.444 0.001 . 1 . . . A 53 LYS HG3 . 25660 1 578 . 1 1 53 53 LYS HD2 H 1 1.600 0.001 . 1 . . . A 53 LYS HD2 . 25660 1 579 . 1 1 53 53 LYS HD3 H 1 1.600 0.001 . 1 . . . A 53 LYS HD3 . 25660 1 580 . 1 1 53 53 LYS HE2 H 1 2.839 0.001 . 1 . . . A 53 LYS HE2 . 25660 1 581 . 1 1 53 53 LYS HE3 H 1 2.839 0.001 . 1 . . . A 53 LYS HE3 . 25660 1 582 . 1 1 53 53 LYS C C 13 177.676 0.001 . 1 . . . A 53 LYS C . 25660 1 583 . 1 1 53 53 LYS CA C 13 58.402 0.001 . 1 . . . A 53 LYS CA . 25660 1 584 . 1 1 53 53 LYS CB C 13 32.296 0.001 . 1 . . . A 53 LYS CB . 25660 1 585 . 1 1 53 53 LYS CG C 13 24.108 0.001 . 1 . . . A 53 LYS CG . 25660 1 586 . 1 1 53 53 LYS CD C 13 29.089 0.001 . 1 . . . A 53 LYS CD . 25660 1 587 . 1 1 53 53 LYS CE C 13 41.778 0.001 . 1 . . . A 53 LYS CE . 25660 1 588 . 1 1 53 53 LYS N N 15 120.164 0.001 . 1 . . . A 53 LYS N . 25660 1 589 . 1 1 54 54 ASN H H 1 8.553 0.001 . 1 . . . A 54 ASN H . 25660 1 590 . 1 1 54 54 ASN HA H 1 4.389 0.001 . 1 . . . A 54 ASN HA . 25660 1 591 . 1 1 54 54 ASN HB2 H 1 2.685 0.001 . 1 . . . A 54 ASN HB2 . 25660 1 592 . 1 1 54 54 ASN HB3 H 1 2.685 0.001 . 1 . . . A 54 ASN HB3 . 25660 1 593 . 1 1 54 54 ASN HD21 H 1 6.854 0.001 . 1 . . . A 54 ASN HD21 . 25660 1 594 . 1 1 54 54 ASN HD22 H 1 7.423 0.001 . 1 . . . A 54 ASN HD22 . 25660 1 595 . 1 1 54 54 ASN C C 13 175.501 0.001 . 1 . . . A 54 ASN C . 25660 1 596 . 1 1 54 54 ASN CA C 13 53.488 0.001 . 1 . . . A 54 ASN CA . 25660 1 597 . 1 1 54 54 ASN CB C 13 38.101 0.001 . 1 . . . A 54 ASN CB . 25660 1 598 . 1 1 54 54 ASN N N 15 116.286 0.001 . 1 . . . A 54 ASN N . 25660 1 599 . 1 1 54 54 ASN ND2 N 15 111.964 0.001 . 1 . . . A 54 ASN ND2 . 25660 1 600 . 1 1 55 55 LYS H H 1 7.634 0.001 . 1 . . . A 55 LYS H . 25660 1 601 . 1 1 55 55 LYS HA H 1 4.032 0.002 . 1 . . . A 55 LYS HA . 25660 1 602 . 1 1 55 55 LYS HB2 H 1 1.858 0.001 . 1 . . . A 55 LYS HB2 . 25660 1 603 . 1 1 55 55 LYS HB3 H 1 1.646 0.001 . 1 . . . A 55 LYS HB3 . 25660 1 604 . 1 1 55 55 LYS HG2 H 1 1.516 0.001 . 1 . . . A 55 LYS HG2 . 25660 1 605 . 1 1 55 55 LYS HG3 H 1 1.516 0.001 . 1 . . . A 55 LYS HG3 . 25660 1 606 . 1 1 55 55 LYS C C 13 177.422 0.001 . 1 . . . A 55 LYS C . 25660 1 607 . 1 1 55 55 LYS CA C 13 56.818 0.001 . 1 . . . A 55 LYS CA . 25660 1 608 . 1 1 55 55 LYS CB C 13 31.536 0.001 . 1 . . . A 55 LYS CB . 25660 1 609 . 1 1 55 55 LYS CG C 13 24.386 0.001 . 1 . . . A 55 LYS CG . 25660 1 610 . 1 1 55 55 LYS CD C 13 28.097 0.001 . 1 . . . A 55 LYS CD . 25660 1 611 . 1 1 55 55 LYS N N 15 121.354 0.001 . 1 . . . A 55 LYS N . 25660 1 612 . 1 1 56 56 GLY HA2 H 1 3.748 0.001 . 1 . . . A 56 GLY HA2 . 25660 1 613 . 1 1 56 56 GLY HA3 H 1 3.637 0.001 . 1 . . . A 56 GLY HA3 . 25660 1 614 . 1 1 56 56 GLY CA C 13 46.052 0.001 . 1 . . . A 56 GLY CA . 25660 1 615 . 1 1 57 57 ILE HA H 1 4.042 0.001 . 1 . . . A 57 ILE HA . 25660 1 616 . 1 1 57 57 ILE HB H 1 1.471 0.001 . 1 . . . A 57 ILE HB . 25660 1 617 . 1 1 57 57 ILE HG12 H 1 0.752 0.005 . 1 . . . A 57 ILE HG12 . 25660 1 618 . 1 1 57 57 ILE HG13 H 1 0.806 0.001 . 1 . . . A 57 ILE HG13 . 25660 1 619 . 1 1 57 57 ILE HG21 H 1 0.306 0.001 . 1 . . . A 57 ILE HG21 . 25660 1 620 . 1 1 57 57 ILE HG22 H 1 0.306 0.001 . 1 . . . A 57 ILE HG22 . 25660 1 621 . 1 1 57 57 ILE HG23 H 1 0.306 0.001 . 1 . . . A 57 ILE HG23 . 25660 1 622 . 1 1 57 57 ILE HD11 H 1 -0.363 0.001 . 1 . . . A 57 ILE HD11 . 25660 1 623 . 1 1 57 57 ILE HD12 H 1 -0.363 0.001 . 1 . . . A 57 ILE HD12 . 25660 1 624 . 1 1 57 57 ILE HD13 H 1 -0.363 0.001 . 1 . . . A 57 ILE HD13 . 25660 1 625 . 1 1 57 57 ILE C C 13 173.923 0.001 . 1 . . . A 57 ILE C . 25660 1 626 . 1 1 57 57 ILE CA C 13 58.621 0.001 . 1 . . . A 57 ILE CA . 25660 1 627 . 1 1 57 57 ILE CB C 13 38.366 0.001 . 1 . . . A 57 ILE CB . 25660 1 628 . 1 1 57 57 ILE CG1 C 13 27.181 0.001 . 1 . . . A 57 ILE CG1 . 25660 1 629 . 1 1 57 57 ILE CG2 C 13 17.095 0.001 . 1 . . . A 57 ILE CG2 . 25660 1 630 . 1 1 57 57 ILE CD1 C 13 12.910 0.001 . 1 . . . A 57 ILE CD1 . 25660 1 631 . 1 1 58 58 ILE H H 1 7.988 0.002 . 1 . . . A 58 ILE H . 25660 1 632 . 1 1 58 58 ILE HA H 1 4.082 0.001 . 1 . . . A 58 ILE HA . 25660 1 633 . 1 1 58 58 ILE HB H 1 1.491 0.001 . 1 . . . A 58 ILE HB . 25660 1 634 . 1 1 58 58 ILE HG12 H 1 1.351 0.001 . 1 . . . A 58 ILE HG12 . 25660 1 635 . 1 1 58 58 ILE HG13 H 1 0.834 0.003 . 1 . . . A 58 ILE HG13 . 25660 1 636 . 1 1 58 58 ILE HG21 H 1 0.613 0.002 . 1 . . . A 58 ILE HG21 . 25660 1 637 . 1 1 58 58 ILE HG22 H 1 0.613 0.002 . 1 . . . A 58 ILE HG22 . 25660 1 638 . 1 1 58 58 ILE HG23 H 1 0.613 0.002 . 1 . . . A 58 ILE HG23 . 25660 1 639 . 1 1 58 58 ILE HD11 H 1 0.616 0.001 . 1 . . . A 58 ILE HD11 . 25660 1 640 . 1 1 58 58 ILE HD12 H 1 0.616 0.001 . 1 . . . A 58 ILE HD12 . 25660 1 641 . 1 1 58 58 ILE HD13 H 1 0.616 0.001 . 1 . . . A 58 ILE HD13 . 25660 1 642 . 1 1 58 58 ILE C C 13 177.495 0.001 . 1 . . . A 58 ILE C . 25660 1 643 . 1 1 58 58 ILE CA C 13 58.867 0.001 . 1 . . . A 58 ILE CA . 25660 1 644 . 1 1 58 58 ILE CB C 13 38.504 0.001 . 1 . . . A 58 ILE CB . 25660 1 645 . 1 1 58 58 ILE CG1 C 13 27.350 0.001 . 1 . . . A 58 ILE CG1 . 25660 1 646 . 1 1 58 58 ILE CG2 C 13 17.084 0.001 . 1 . . . A 58 ILE CG2 . 25660 1 647 . 1 1 58 58 ILE CD1 C 13 12.387 0.001 . 1 . . . A 58 ILE CD1 . 25660 1 648 . 1 1 58 58 ILE N N 15 121.053 0.001 . 1 . . . A 58 ILE N . 25660 1 649 . 1 1 59 59 TRP H H 1 8.931 0.001 . 1 . . . A 59 TRP H . 25660 1 650 . 1 1 59 59 TRP HA H 1 4.829 0.003 . 1 . . . A 59 TRP HA . 25660 1 651 . 1 1 59 59 TRP HB2 H 1 3.739 0.005 . 1 . . . A 59 TRP HB2 . 25660 1 652 . 1 1 59 59 TRP HB3 H 1 2.438 0.001 . 1 . . . A 59 TRP HB3 . 25660 1 653 . 1 1 59 59 TRP HD1 H 1 6.889 0.001 . 1 . . . A 59 TRP HD1 . 25660 1 654 . 1 1 59 59 TRP HE1 H 1 10.179 0.001 . 1 . . . A 59 TRP HE1 . 25660 1 655 . 1 1 59 59 TRP HE3 H 1 7.472 0.005 . 1 . . . A 59 TRP HE3 . 25660 1 656 . 1 1 59 59 TRP HZ2 H 1 6.956 0.002 . 1 . . . A 59 TRP HZ2 . 25660 1 657 . 1 1 59 59 TRP HZ3 H 1 6.532 0.004 . 1 . . . A 59 TRP HZ3 . 25660 1 658 . 1 1 59 59 TRP HH2 H 1 5.578 0.003 . 1 . . . A 59 TRP HH2 . 25660 1 659 . 1 1 59 59 TRP C C 13 175.793 0.001 . 1 . . . A 59 TRP C . 25660 1 660 . 1 1 59 59 TRP CA C 13 57.229 0.001 . 1 . . . A 59 TRP CA . 25660 1 661 . 1 1 59 59 TRP CB C 13 29.908 0.001 . 1 . . . A 59 TRP CB . 25660 1 662 . 1 1 59 59 TRP N N 15 130.896 0.006 . 1 . . . A 59 TRP N . 25660 1 663 . 1 1 59 59 TRP NE1 N 15 127.918 0.001 . 1 . . . A 59 TRP NE1 . 25660 1 664 . 1 1 60 60 GLY H H 1 7.839 0.002 . 1 . . . A 60 GLY H . 25660 1 665 . 1 1 60 60 GLY HA2 H 1 3.832 0.005 . 1 . . . A 60 GLY HA2 . 25660 1 666 . 1 1 60 60 GLY HA3 H 1 4.110 0.001 . 1 . . . A 60 GLY HA3 . 25660 1 667 . 1 1 60 60 GLY C C 13 171.636 0.001 . 1 . . . A 60 GLY C . 25660 1 668 . 1 1 60 60 GLY CA C 13 44.214 0.001 . 1 . . . A 60 GLY CA . 25660 1 669 . 1 1 60 60 GLY N N 15 111.218 0.001 . 1 . . . A 60 GLY N . 25660 1 670 . 1 1 61 61 GLU H H 1 9.619 0.003 . 1 . . . A 61 GLU H . 25660 1 671 . 1 1 61 61 GLU HA H 1 3.858 0.001 . 1 . . . A 61 GLU HA . 25660 1 672 . 1 1 61 61 GLU HB2 H 1 2.113 0.003 . 1 . . . A 61 GLU HB2 . 25660 1 673 . 1 1 61 61 GLU HB3 H 1 2.113 0.003 . 1 . . . A 61 GLU HB3 . 25660 1 674 . 1 1 61 61 GLU HG2 H 1 2.376 0.003 . 1 . . . A 61 GLU HG2 . 25660 1 675 . 1 1 61 61 GLU HG3 H 1 2.306 0.001 . 1 . . . A 61 GLU HG3 . 25660 1 676 . 1 1 61 61 GLU C C 13 177.011 0.001 . 1 . . . A 61 GLU C . 25660 1 677 . 1 1 61 61 GLU CA C 13 62.088 0.001 . 1 . . . A 61 GLU CA . 25660 1 678 . 1 1 61 61 GLU CB C 13 29.364 0.001 . 1 . . . A 61 GLU CB . 25660 1 679 . 1 1 61 61 GLU CG C 13 37.068 0.001 . 1 . . . A 61 GLU CG . 25660 1 680 . 1 1 61 61 GLU N N 15 120.606 0.001 . 1 . . . A 61 GLU N . 25660 1 681 . 1 1 62 62 ASP H H 1 8.396 0.001 . 1 . . . A 62 ASP H . 25660 1 682 . 1 1 62 62 ASP HA H 1 4.334 0.001 . 1 . . . A 62 ASP HA . 25660 1 683 . 1 1 62 62 ASP HB2 H 1 2.705 0.001 . 1 . . . A 62 ASP HB2 . 25660 1 684 . 1 1 62 62 ASP HB3 H 1 2.626 0.001 . 1 . . . A 62 ASP HB3 . 25660 1 685 . 1 1 62 62 ASP C C 13 179.228 0.001 . 1 . . . A 62 ASP C . 25660 1 686 . 1 1 62 62 ASP CA C 13 57.208 0.001 . 1 . . . A 62 ASP CA . 25660 1 687 . 1 1 62 62 ASP CB C 13 39.477 0.001 . 1 . . . A 62 ASP CB . 25660 1 688 . 1 1 62 62 ASP N N 15 114.943 0.001 . 1 . . . A 62 ASP N . 25660 1 689 . 1 1 63 63 THR H H 1 8.246 0.002 . 1 . . . A 63 THR H . 25660 1 690 . 1 1 63 63 THR HA H 1 4.116 0.001 . 1 . . . A 63 THR HA . 25660 1 691 . 1 1 63 63 THR HB H 1 4.339 0.001 . 1 . . . A 63 THR HB . 25660 1 692 . 1 1 63 63 THR HG21 H 1 1.276 0.002 . 1 . . . A 63 THR HG21 . 25660 1 693 . 1 1 63 63 THR HG22 H 1 1.276 0.002 . 1 . . . A 63 THR HG22 . 25660 1 694 . 1 1 63 63 THR HG23 H 1 1.276 0.002 . 1 . . . A 63 THR HG23 . 25660 1 695 . 1 1 63 63 THR C C 13 177.971 0.001 . 1 . . . A 63 THR C . 25660 1 696 . 1 1 63 63 THR CA C 13 63.601 0.001 . 1 . . . A 63 THR CA . 25660 1 697 . 1 1 63 63 THR CB C 13 68.918 0.001 . 1 . . . A 63 THR CB . 25660 1 698 . 1 1 63 63 THR CG2 C 13 23.584 0.001 . 1 . . . A 63 THR CG2 . 25660 1 699 . 1 1 63 63 THR N N 15 112.857 0.001 . 1 . . . A 63 THR N . 25660 1 700 . 1 1 64 64 LEU H H 1 8.809 0.007 . 1 . . . A 64 LEU H . 25660 1 701 . 1 1 64 64 LEU HA H 1 4.233 0.004 . 1 . . . A 64 LEU HA . 25660 1 702 . 1 1 64 64 LEU HB2 H 1 1.991 0.001 . 1 . . . A 64 LEU HB2 . 25660 1 703 . 1 1 64 64 LEU HB3 H 1 1.156 0.001 . 1 . . . A 64 LEU HB3 . 25660 1 704 . 1 1 64 64 LEU HG H 1 0.373 0.006 . 1 . . . A 64 LEU HG . 25660 1 705 . 1 1 64 64 LEU HD11 H 1 0.637 0.004 . 1 . . . A 64 LEU HD11 . 25660 1 706 . 1 1 64 64 LEU HD12 H 1 0.637 0.004 . 1 . . . A 64 LEU HD12 . 25660 1 707 . 1 1 64 64 LEU HD13 H 1 0.637 0.004 . 1 . . . A 64 LEU HD13 . 25660 1 708 . 1 1 64 64 LEU HD21 H 1 0.637 0.004 . 1 . . . A 64 LEU HD21 . 25660 1 709 . 1 1 64 64 LEU HD22 H 1 0.637 0.004 . 1 . . . A 64 LEU HD22 . 25660 1 710 . 1 1 64 64 LEU HD23 H 1 0.637 0.004 . 1 . . . A 64 LEU HD23 . 25660 1 711 . 1 1 64 64 LEU C C 13 178.628 0.001 . 1 . . . A 64 LEU C . 25660 1 712 . 1 1 64 64 LEU CA C 13 58.314 0.001 . 1 . . . A 64 LEU CA . 25660 1 713 . 1 1 64 64 LEU CB C 13 42.355 0.001 . 1 . . . A 64 LEU CB . 25660 1 714 . 1 1 64 64 LEU CG C 13 26.849 0.001 . 1 . . . A 64 LEU CG . 25660 1 715 . 1 1 64 64 LEU CD1 C 13 24.353 0.001 . 1 . . . A 64 LEU CD1 . 25660 1 716 . 1 1 64 64 LEU CD2 C 13 24.438 0.001 . 1 . . . A 64 LEU CD2 . 25660 1 717 . 1 1 64 64 LEU N N 15 121.355 0.001 . 1 . . . A 64 LEU N . 25660 1 718 . 1 1 65 65 MET H H 1 7.934 0.002 . 1 . . . A 65 MET H . 25660 1 719 . 1 1 65 65 MET HA H 1 3.896 0.001 . 1 . . . A 65 MET HA . 25660 1 720 . 1 1 65 65 MET HB2 H 1 2.356 0.001 . 1 . . . A 65 MET HB2 . 25660 1 721 . 1 1 65 65 MET HB3 H 1 2.031 0.001 . 1 . . . A 65 MET HB3 . 25660 1 722 . 1 1 65 65 MET HG2 H 1 2.766 0.001 . 1 . . . A 65 MET HG2 . 25660 1 723 . 1 1 65 65 MET HG3 H 1 2.542 0.001 . 1 . . . A 65 MET HG3 . 25660 1 724 . 1 1 65 65 MET C C 13 177.782 0.001 . 1 . . . A 65 MET C . 25660 1 725 . 1 1 65 65 MET CA C 13 57.910 0.001 . 1 . . . A 65 MET CA . 25660 1 726 . 1 1 65 65 MET CB C 13 31.019 0.001 . 1 . . . A 65 MET CB . 25660 1 727 . 1 1 65 65 MET CG C 13 32.089 0.001 . 1 . . . A 65 MET CG . 25660 1 728 . 1 1 65 65 MET N N 15 118.519 0.001 . 1 . . . A 65 MET N . 25660 1 729 . 1 1 66 66 GLU H H 1 6.795 0.001 . 1 . . . A 66 GLU H . 25660 1 730 . 1 1 66 66 GLU HA H 1 3.958 0.001 . 1 . . . A 66 GLU HA . 25660 1 731 . 1 1 66 66 GLU HB2 H 1 1.590 0.001 . 1 . . . A 66 GLU HB2 . 25660 1 732 . 1 1 66 66 GLU HB3 H 1 1.453 0.002 . 1 . . . A 66 GLU HB3 . 25660 1 733 . 1 1 66 66 GLU HG2 H 1 1.874 0.002 . 1 . . . A 66 GLU HG2 . 25660 1 734 . 1 1 66 66 GLU HG3 H 1 1.853 0.002 . 1 . . . A 66 GLU HG3 . 25660 1 735 . 1 1 66 66 GLU C C 13 178.928 0.001 . 1 . . . A 66 GLU C . 25660 1 736 . 1 1 66 66 GLU CA C 13 58.103 0.001 . 1 . . . A 66 GLU CA . 25660 1 737 . 1 1 66 66 GLU CB C 13 29.676 0.001 . 1 . . . A 66 GLU CB . 25660 1 738 . 1 1 66 66 GLU CG C 13 35.887 0.001 . 1 . . . A 66 GLU CG . 25660 1 739 . 1 1 66 66 GLU N N 15 117.027 0.001 . 1 . . . A 66 GLU N . 25660 1 740 . 1 1 67 67 TYR H H 1 8.170 0.001 . 1 . . . A 67 TYR H . 25660 1 741 . 1 1 67 67 TYR HA H 1 3.501 0.001 . 1 . . . A 67 TYR HA . 25660 1 742 . 1 1 67 67 TYR HB2 H 1 3.216 0.001 . 1 . . . A 67 TYR HB2 . 25660 1 743 . 1 1 67 67 TYR HB3 H 1 2.562 0.001 . 1 . . . A 67 TYR HB3 . 25660 1 744 . 1 1 67 67 TYR HD1 H 1 7.091 0.001 . 1 . . . A 67 TYR HD1 . 25660 1 745 . 1 1 67 67 TYR HD2 H 1 7.091 0.001 . 1 . . . A 67 TYR HD2 . 25660 1 746 . 1 1 67 67 TYR HE1 H 1 6.536 0.001 . 1 . . . A 67 TYR HE1 . 25660 1 747 . 1 1 67 67 TYR HE2 H 1 6.536 0.001 . 1 . . . A 67 TYR HE2 . 25660 1 748 . 1 1 67 67 TYR C C 13 176.312 0.001 . 1 . . . A 67 TYR C . 25660 1 749 . 1 1 67 67 TYR CA C 13 59.911 0.001 . 1 . . . A 67 TYR CA . 25660 1 750 . 1 1 67 67 TYR CB C 13 40.118 0.001 . 1 . . . A 67 TYR CB . 25660 1 751 . 1 1 67 67 TYR N N 15 120.608 0.001 . 1 . . . A 67 TYR N . 25660 1 752 . 1 1 68 68 LEU H H 1 8.108 0.002 . 1 . . . A 68 LEU H . 25660 1 753 . 1 1 68 68 LEU HA H 1 2.986 0.001 . 1 . . . A 68 LEU HA . 25660 1 754 . 1 1 68 68 LEU HB2 H 1 1.588 0.001 . 1 . . . A 68 LEU HB2 . 25660 1 755 . 1 1 68 68 LEU HB3 H 1 0.983 0.005 . 1 . . . A 68 LEU HB3 . 25660 1 756 . 1 1 68 68 LEU HG H 1 0.967 0.001 . 1 . . . A 68 LEU HG . 25660 1 757 . 1 1 68 68 LEU HD11 H 1 0.215 0.004 . 1 . . . A 68 LEU HD11 . 25660 1 758 . 1 1 68 68 LEU HD12 H 1 0.215 0.004 . 1 . . . A 68 LEU HD12 . 25660 1 759 . 1 1 68 68 LEU HD13 H 1 0.215 0.004 . 1 . . . A 68 LEU HD13 . 25660 1 760 . 1 1 68 68 LEU HD21 H 1 0.215 0.004 . 1 . . . A 68 LEU HD21 . 25660 1 761 . 1 1 68 68 LEU HD22 H 1 0.215 0.004 . 1 . . . A 68 LEU HD22 . 25660 1 762 . 1 1 68 68 LEU HD23 H 1 0.215 0.004 . 1 . . . A 68 LEU HD23 . 25660 1 763 . 1 1 68 68 LEU C C 13 176.652 0.001 . 1 . . . A 68 LEU C . 25660 1 764 . 1 1 68 68 LEU CA C 13 55.211 0.001 . 1 . . . A 68 LEU CA . 25660 1 765 . 1 1 68 68 LEU CB C 13 41.188 0.001 . 1 . . . A 68 LEU CB . 25660 1 766 . 1 1 68 68 LEU CG C 13 25.795 0.001 . 1 . . . A 68 LEU CG . 25660 1 767 . 1 1 68 68 LEU CD1 C 13 21.682 0.001 . 1 . . . A 68 LEU CD1 . 25660 1 768 . 1 1 68 68 LEU CD2 C 13 21.583 0.001 . 1 . . . A 68 LEU CD2 . 25660 1 769 . 1 1 68 68 LEU N N 15 109.278 0.001 . 1 . . . A 68 LEU N . 25660 1 770 . 1 1 69 69 GLU H H 1 6.783 0.001 . 1 . . . A 69 GLU H . 25660 1 771 . 1 1 69 69 GLU HA H 1 3.860 0.002 . 1 . . . A 69 GLU HA . 25660 1 772 . 1 1 69 69 GLU HB2 H 1 1.920 0.001 . 1 . . . A 69 GLU HB2 . 25660 1 773 . 1 1 69 69 GLU HB3 H 1 1.607 0.001 . 1 . . . A 69 GLU HB3 . 25660 1 774 . 1 1 69 69 GLU HG2 H 1 2.016 0.002 . 1 . . . A 69 GLU HG2 . 25660 1 775 . 1 1 69 69 GLU HG3 H 1 2.075 0.001 . 1 . . . A 69 GLU HG3 . 25660 1 776 . 1 1 69 69 GLU C C 13 176.033 0.001 . 1 . . . A 69 GLU C . 25660 1 777 . 1 1 69 69 GLU CA C 13 58.526 0.001 . 1 . . . A 69 GLU CA . 25660 1 778 . 1 1 69 69 GLU CB C 13 29.549 0.001 . 1 . . . A 69 GLU CB . 25660 1 779 . 1 1 69 69 GLU CG C 13 36.287 0.001 . 1 . . . A 69 GLU CG . 25660 1 780 . 1 1 69 69 GLU N N 15 119.118 0.001 . 1 . . . A 69 GLU N . 25660 1 781 . 1 1 70 70 ASN H H 1 6.092 0.005 . 1 . . . A 70 ASN H . 25660 1 782 . 1 1 70 70 ASN HA H 1 4.131 0.001 . 1 . . . A 70 ASN HA . 25660 1 783 . 1 1 70 70 ASN HB2 H 1 2.682 0.002 . 1 . . . A 70 ASN HB2 . 25660 1 784 . 1 1 70 70 ASN HB3 H 1 2.682 0.002 . 1 . . . A 70 ASN HB3 . 25660 1 785 . 1 1 70 70 ASN HD21 H 1 6.570 0.002 . 1 . . . A 70 ASN HD21 . 25660 1 786 . 1 1 70 70 ASN HD22 H 1 7.660 0.002 . 1 . . . A 70 ASN HD22 . 25660 1 787 . 1 1 70 70 ASN C C 13 172.247 0.001 . 1 . . . A 70 ASN C . 25660 1 788 . 1 1 70 70 ASN CA C 13 51.365 0.001 . 1 . . . A 70 ASN CA . 25660 1 789 . 1 1 70 70 ASN CB C 13 36.797 0.001 . 1 . . . A 70 ASN CB . 25660 1 790 . 1 1 70 70 ASN N N 15 105.553 0.001 . 1 . . . A 70 ASN N . 25660 1 791 . 1 1 70 70 ASN ND2 N 15 111.664 0.029 . 1 . . . A 70 ASN ND2 . 25660 1 792 . 1 1 71 71 PRO HA H 1 3.517 0.001 . 1 . . . A 71 PRO HA . 25660 1 793 . 1 1 71 71 PRO HB2 H 1 0.786 0.002 . 1 . . . A 71 PRO HB2 . 25660 1 794 . 1 1 71 71 PRO HB3 H 1 0.277 0.002 . 1 . . . A 71 PRO HB3 . 25660 1 795 . 1 1 71 71 PRO HG2 H 1 0.605 0.001 . 1 . . . A 71 PRO HG2 . 25660 1 796 . 1 1 71 71 PRO HG3 H 1 -0.006 0.001 . 1 . . . A 71 PRO HG3 . 25660 1 797 . 1 1 71 71 PRO HD2 H 1 2.971 0.002 . 1 . . . A 71 PRO HD2 . 25660 1 798 . 1 1 71 71 PRO HD3 H 1 2.674 0.003 . 1 . . . A 71 PRO HD3 . 25660 1 799 . 1 1 71 71 PRO C C 13 176.414 0.001 . 1 . . . A 71 PRO C . 25660 1 800 . 1 1 71 71 PRO CA C 13 65.672 0.001 . 1 . . . A 71 PRO CA . 25660 1 801 . 1 1 71 71 PRO CB C 13 29.935 0.001 . 1 . . . A 71 PRO CB . 25660 1 802 . 1 1 71 71 PRO CG C 13 26.324 0.001 . 1 . . . A 71 PRO CG . 25660 1 803 . 1 1 71 71 PRO CD C 13 48.776 0.001 . 1 . . . A 71 PRO CD . 25660 1 804 . 1 1 72 72 LYS H H 1 7.457 0.001 . 1 . . . A 72 LYS H . 25660 1 805 . 1 1 72 72 LYS HA H 1 3.715 0.001 . 1 . . . A 72 LYS HA . 25660 1 806 . 1 1 72 72 LYS HB2 H 1 1.507 0.001 . 1 . . . A 72 LYS HB2 . 25660 1 807 . 1 1 72 72 LYS HB3 H 1 1.398 0.001 . 1 . . . A 72 LYS HB3 . 25660 1 808 . 1 1 72 72 LYS HG2 H 1 1.158 0.003 . 1 . . . A 72 LYS HG2 . 25660 1 809 . 1 1 72 72 LYS HG3 H 1 1.084 0.001 . 1 . . . A 72 LYS HG3 . 25660 1 810 . 1 1 72 72 LYS HD2 H 1 1.383 0.001 . 1 . . . A 72 LYS HD2 . 25660 1 811 . 1 1 72 72 LYS HD3 H 1 1.383 0.001 . 1 . . . A 72 LYS HD3 . 25660 1 812 . 1 1 72 72 LYS HE2 H 1 2.701 0.001 . 1 . . . A 72 LYS HE2 . 25660 1 813 . 1 1 72 72 LYS HE3 H 1 2.701 0.001 . 1 . . . A 72 LYS HE3 . 25660 1 814 . 1 1 72 72 LYS C C 13 177.234 0.001 . 1 . . . A 72 LYS C . 25660 1 815 . 1 1 72 72 LYS CA C 13 57.046 0.001 . 1 . . . A 72 LYS CA . 25660 1 816 . 1 1 72 72 LYS CB C 13 31.565 0.001 . 1 . . . A 72 LYS CB . 25660 1 817 . 1 1 72 72 LYS CG C 13 24.417 0.001 . 1 . . . A 72 LYS CG . 25660 1 818 . 1 1 72 72 LYS CD C 13 29.146 0.001 . 1 . . . A 72 LYS CD . 25660 1 819 . 1 1 72 72 LYS CE C 13 41.563 0.001 . 1 . . . A 72 LYS CE . 25660 1 820 . 1 1 72 72 LYS N N 15 113.454 0.001 . 1 . . . A 72 LYS N . 25660 1 821 . 1 1 73 73 LYS H H 1 6.855 0.001 . 1 . . . A 73 LYS H . 25660 1 822 . 1 1 73 73 LYS HA H 1 3.790 0.001 . 1 . . . A 73 LYS HA . 25660 1 823 . 1 1 73 73 LYS HB2 H 1 1.461 0.001 . 1 . . . A 73 LYS HB2 . 25660 1 824 . 1 1 73 73 LYS HB3 H 1 1.461 0.001 . 1 . . . A 73 LYS HB3 . 25660 1 825 . 1 1 73 73 LYS HG2 H 1 1.199 0.003 . 1 . . . A 73 LYS HG2 . 25660 1 826 . 1 1 73 73 LYS HG3 H 1 1.199 0.003 . 1 . . . A 73 LYS HG3 . 25660 1 827 . 1 1 73 73 LYS HD2 H 1 1.515 0.001 . 1 . . . A 73 LYS HD2 . 25660 1 828 . 1 1 73 73 LYS HD3 H 1 1.515 0.001 . 1 . . . A 73 LYS HD3 . 25660 1 829 . 1 1 73 73 LYS HE2 H 1 2.713 0.001 . 1 . . . A 73 LYS HE2 . 25660 1 830 . 1 1 73 73 LYS HE3 H 1 2.713 0.001 . 1 . . . A 73 LYS HE3 . 25660 1 831 . 1 1 73 73 LYS C C 13 176.890 0.001 . 1 . . . A 73 LYS C . 25660 1 832 . 1 1 73 73 LYS CA C 13 57.407 0.001 . 1 . . . A 73 LYS CA . 25660 1 833 . 1 1 73 73 LYS CB C 13 32.899 0.001 . 1 . . . A 73 LYS CB . 25660 1 834 . 1 1 73 73 LYS CG C 13 24.651 0.001 . 1 . . . A 73 LYS CG . 25660 1 835 . 1 1 73 73 LYS CD C 13 29.202 0.001 . 1 . . . A 73 LYS CD . 25660 1 836 . 1 1 73 73 LYS CE C 13 41.769 0.001 . 1 . . . A 73 LYS CE . 25660 1 837 . 1 1 73 73 LYS N N 15 118.522 0.001 . 1 . . . A 73 LYS N . 25660 1 838 . 1 1 74 74 TYR H H 1 7.219 0.001 . 1 . . . A 74 TYR H . 25660 1 839 . 1 1 74 74 TYR HA H 1 4.231 0.003 . 1 . . . A 74 TYR HA . 25660 1 840 . 1 1 74 74 TYR HB2 H 1 3.113 0.001 . 1 . . . A 74 TYR HB2 . 25660 1 841 . 1 1 74 74 TYR HB3 H 1 3.001 0.001 . 1 . . . A 74 TYR HB3 . 25660 1 842 . 1 1 74 74 TYR HD1 H 1 7.105 0.001 . 1 . . . A 74 TYR HD1 . 25660 1 843 . 1 1 74 74 TYR HD2 H 1 7.105 0.001 . 1 . . . A 74 TYR HD2 . 25660 1 844 . 1 1 74 74 TYR HE1 H 1 6.507 0.001 . 1 . . . A 74 TYR HE1 . 25660 1 845 . 1 1 74 74 TYR HE2 H 1 6.507 0.001 . 1 . . . A 74 TYR HE2 . 25660 1 846 . 1 1 74 74 TYR C C 13 175.794 0.001 . 1 . . . A 74 TYR C . 25660 1 847 . 1 1 74 74 TYR CA C 13 60.721 0.001 . 1 . . . A 74 TYR CA . 25660 1 848 . 1 1 74 74 TYR CB C 13 39.536 0.001 . 1 . . . A 74 TYR CB . 25660 1 849 . 1 1 74 74 TYR N N 15 118.674 0.001 . 1 . . . A 74 TYR N . 25660 1 850 . 1 1 75 75 ILE H H 1 8.189 0.001 . 1 . . . A 75 ILE H . 25660 1 851 . 1 1 75 75 ILE HA H 1 4.067 0.001 . 1 . . . A 75 ILE HA . 25660 1 852 . 1 1 75 75 ILE HB H 1 1.770 0.003 . 1 . . . A 75 ILE HB . 25660 1 853 . 1 1 75 75 ILE HG12 H 1 0.627 0.004 . 1 . . . A 75 ILE HG12 . 25660 1 854 . 1 1 75 75 ILE HG13 H 1 0.627 0.004 . 1 . . . A 75 ILE HG13 . 25660 1 855 . 1 1 75 75 ILE HG21 H 1 0.603 0.001 . 1 . . . A 75 ILE HG21 . 25660 1 856 . 1 1 75 75 ILE HG22 H 1 0.603 0.001 . 1 . . . A 75 ILE HG22 . 25660 1 857 . 1 1 75 75 ILE HG23 H 1 0.603 0.001 . 1 . . . A 75 ILE HG23 . 25660 1 858 . 1 1 75 75 ILE HD11 H 1 0.777 0.001 . 1 . . . A 75 ILE HD11 . 25660 1 859 . 1 1 75 75 ILE HD12 H 1 0.777 0.001 . 1 . . . A 75 ILE HD12 . 25660 1 860 . 1 1 75 75 ILE HD13 H 1 0.777 0.001 . 1 . . . A 75 ILE HD13 . 25660 1 861 . 1 1 75 75 ILE C C 13 179.773 0.001 . 1 . . . A 75 ILE C . 25660 1 862 . 1 1 75 75 ILE CA C 13 58.474 0.001 . 1 . . . A 75 ILE CA . 25660 1 863 . 1 1 75 75 ILE CB C 13 37.615 0.001 . 1 . . . A 75 ILE CB . 25660 1 864 . 1 1 75 75 ILE CG1 C 13 27.194 0.001 . 1 . . . A 75 ILE CG1 . 25660 1 865 . 1 1 75 75 ILE CG2 C 13 17.807 0.001 . 1 . . . A 75 ILE CG2 . 25660 1 866 . 1 1 75 75 ILE CD1 C 13 12.517 0.001 . 1 . . . A 75 ILE CD1 . 25660 1 867 . 1 1 75 75 ILE N N 15 114.346 0.001 . 1 . . . A 75 ILE N . 25660 1 868 . 1 1 76 76 PRO HA H 1 4.477 0.001 . 1 . . . A 76 PRO HA . 25660 1 869 . 1 1 76 76 PRO HB2 H 1 2.110 0.001 . 1 . . . A 76 PRO HB2 . 25660 1 870 . 1 1 76 76 PRO HB3 H 1 1.622 0.001 . 1 . . . A 76 PRO HB3 . 25660 1 871 . 1 1 76 76 PRO HG2 H 1 1.846 0.001 . 1 . . . A 76 PRO HG2 . 25660 1 872 . 1 1 76 76 PRO HG3 H 1 1.777 0.001 . 1 . . . A 76 PRO HG3 . 25660 1 873 . 1 1 76 76 PRO HD2 H 1 3.330 0.001 . 1 . . . A 76 PRO HD2 . 25660 1 874 . 1 1 76 76 PRO HD3 H 1 3.129 0.001 . 1 . . . A 76 PRO HD3 . 25660 1 875 . 1 1 76 76 PRO C C 13 178.583 0.001 . 1 . . . A 76 PRO C . 25660 1 876 . 1 1 76 76 PRO CA C 13 64.021 0.001 . 1 . . . A 76 PRO CA . 25660 1 877 . 1 1 76 76 PRO CB C 13 31.137 0.001 . 1 . . . A 76 PRO CB . 25660 1 878 . 1 1 76 76 PRO CG C 13 27.154 0.001 . 1 . . . A 76 PRO CG . 25660 1 879 . 1 1 76 76 PRO CD C 13 49.303 0.009 . 1 . . . A 76 PRO CD . 25660 1 880 . 1 1 77 77 GLY H H 1 8.563 0.001 . 1 . . . A 77 GLY H . 25660 1 881 . 1 1 77 77 GLY HA2 H 1 3.721 0.001 . 1 . . . A 77 GLY HA2 . 25660 1 882 . 1 1 77 77 GLY HA3 H 1 3.852 0.001 . 1 . . . A 77 GLY HA3 . 25660 1 883 . 1 1 77 77 GLY C C 13 174.866 0.001 . 1 . . . A 77 GLY C . 25660 1 884 . 1 1 77 77 GLY CA C 13 44.314 0.001 . 1 . . . A 77 GLY CA . 25660 1 885 . 1 1 77 77 GLY N N 15 108.831 0.001 . 1 . . . A 77 GLY N . 25660 1 886 . 1 1 78 78 THR H H 1 7.922 0.001 . 1 . . . A 78 THR H . 25660 1 887 . 1 1 78 78 THR HA H 1 4.226 0.001 . 1 . . . A 78 THR HA . 25660 1 888 . 1 1 78 78 THR HB H 1 4.167 0.001 . 1 . . . A 78 THR HB . 25660 1 889 . 1 1 78 78 THR HG21 H 1 0.672 0.001 . 1 . . . A 78 THR HG21 . 25660 1 890 . 1 1 78 78 THR HG22 H 1 0.672 0.001 . 1 . . . A 78 THR HG22 . 25660 1 891 . 1 1 78 78 THR HG23 H 1 0.672 0.001 . 1 . . . A 78 THR HG23 . 25660 1 892 . 1 1 78 78 THR C C 13 173.114 0.001 . 1 . . . A 78 THR C . 25660 1 893 . 1 1 78 78 THR CA C 13 61.759 0.001 . 1 . . . A 78 THR CA . 25660 1 894 . 1 1 78 78 THR CB C 13 67.910 0.061 . 1 . . . A 78 THR CB . 25660 1 895 . 1 1 78 78 THR CG2 C 13 18.913 0.001 . 1 . . . A 78 THR CG2 . 25660 1 896 . 1 1 78 78 THR N N 15 115.541 0.001 . 1 . . . A 78 THR N . 25660 1 897 . 1 1 79 79 LYS HA H 1 4.381 0.001 . 1 . . . A 79 LYS HA . 25660 1 898 . 1 1 79 79 LYS HB2 H 1 2.131 0.001 . 1 . . . A 79 LYS HB2 . 25660 1 899 . 1 1 79 79 LYS HB3 H 1 2.072 0.001 . 1 . . . A 79 LYS HB3 . 25660 1 900 . 1 1 79 79 LYS HG2 H 1 1.784 0.001 . 1 . . . A 79 LYS HG2 . 25660 1 901 . 1 1 79 79 LYS HG3 H 1 1.605 0.001 . 1 . . . A 79 LYS HG3 . 25660 1 902 . 1 1 79 79 LYS HD2 H 1 1.876 0.001 . 1 . . . A 79 LYS HD2 . 25660 1 903 . 1 1 79 79 LYS HD3 H 1 1.792 0.001 . 1 . . . A 79 LYS HD3 . 25660 1 904 . 1 1 79 79 LYS HE2 H 1 3.440 0.001 . 1 . . . A 79 LYS HE2 . 25660 1 905 . 1 1 79 79 LYS HE3 H 1 3.233 0.001 . 1 . . . A 79 LYS HE3 . 25660 1 906 . 1 1 79 79 LYS C C 13 175.845 0.001 . 1 . . . A 79 LYS C . 25660 1 907 . 1 1 79 79 LYS CA C 13 55.526 0.001 . 1 . . . A 79 LYS CA . 25660 1 908 . 1 1 79 79 LYS CB C 13 32.303 0.001 . 1 . . . A 79 LYS CB . 25660 1 909 . 1 1 79 79 LYS CG C 13 24.902 0.001 . 1 . . . A 79 LYS CG . 25660 1 910 . 1 1 79 79 LYS CD C 13 29.109 0.001 . 1 . . . A 79 LYS CD . 25660 1 911 . 1 1 79 79 LYS CE C 13 42.195 0.001 . 1 . . . A 79 LYS CE . 25660 1 912 . 1 1 80 80 MET H H 1 7.384 0.001 . 1 . . . A 80 MET H . 25660 1 913 . 1 1 80 80 MET HA H 1 2.934 0.001 . 1 . . . A 80 MET HA . 25660 1 914 . 1 1 80 80 MET HB2 H 1 -0.261 0.001 . 1 . . . A 80 MET HB2 . 25660 1 915 . 1 1 80 80 MET HB3 H 1 -2.814 0.001 . 1 . . . A 80 MET HB3 . 25660 1 916 . 1 1 80 80 MET HG2 H 1 -2.050 0.001 . 1 . . . A 80 MET HG2 . 25660 1 917 . 1 1 80 80 MET HG3 H 1 -3.750 0.001 . 1 . . . A 80 MET HG3 . 25660 1 918 . 1 1 80 80 MET HE1 H 1 -3.429 0.001 . 1 . . . A 80 MET HE1 . 25660 1 919 . 1 1 80 80 MET HE2 H 1 -3.429 0.001 . 1 . . . A 80 MET HE2 . 25660 1 920 . 1 1 80 80 MET HE3 H 1 -3.429 0.001 . 1 . . . A 80 MET HE3 . 25660 1 921 . 1 1 80 80 MET C C 13 171.833 0.001 . 1 . . . A 80 MET C . 25660 1 922 . 1 1 80 80 MET CA C 13 55.863 0.001 . 1 . . . A 80 MET CA . 25660 1 923 . 1 1 80 80 MET CB C 13 27.552 0.001 . 1 . . . A 80 MET CB . 25660 1 924 . 1 1 80 80 MET N N 15 123.515 0.001 . 1 . . . A 80 MET N . 25660 1 925 . 1 1 81 81 ILE H H 1 7.856 0.003 . 1 . . . A 81 ILE H . 25660 1 926 . 1 1 81 81 ILE HA H 1 3.485 0.001 . 1 . . . A 81 ILE HA . 25660 1 927 . 1 1 81 81 ILE HB H 1 1.961 0.001 . 1 . . . A 81 ILE HB . 25660 1 928 . 1 1 81 81 ILE HG12 H 1 1.348 0.005 . 1 . . . A 81 ILE HG12 . 25660 1 929 . 1 1 81 81 ILE HG13 H 1 1.118 0.001 . 1 . . . A 81 ILE HG13 . 25660 1 930 . 1 1 81 81 ILE HG21 H 1 0.667 0.001 . 1 . . . A 81 ILE HG21 . 25660 1 931 . 1 1 81 81 ILE HG22 H 1 0.667 0.001 . 1 . . . A 81 ILE HG22 . 25660 1 932 . 1 1 81 81 ILE HG23 H 1 0.667 0.001 . 1 . . . A 81 ILE HG23 . 25660 1 933 . 1 1 81 81 ILE HD11 H 1 0.618 0.001 . 1 . . . A 81 ILE HD11 . 25660 1 934 . 1 1 81 81 ILE HD12 H 1 0.618 0.001 . 1 . . . A 81 ILE HD12 . 25660 1 935 . 1 1 81 81 ILE HD13 H 1 0.618 0.001 . 1 . . . A 81 ILE HD13 . 25660 1 936 . 1 1 81 81 ILE C C 13 173.220 0.001 . 1 . . . A 81 ILE C . 25660 1 937 . 1 1 81 81 ILE CA C 13 59.285 0.030 . 1 . . . A 81 ILE CA . 25660 1 938 . 1 1 81 81 ILE CB C 13 34.612 0.001 . 1 . . . A 81 ILE CB . 25660 1 939 . 1 1 81 81 ILE CG1 C 13 26.036 0.041 . 1 . . . A 81 ILE CG1 . 25660 1 940 . 1 1 81 81 ILE CG2 C 13 16.961 0.001 . 1 . . . A 81 ILE CG2 . 25660 1 941 . 1 1 81 81 ILE CD1 C 13 10.665 0.001 . 1 . . . A 81 ILE CD1 . 25660 1 942 . 1 1 81 81 ILE N N 15 130.146 0.001 . 1 . . . A 81 ILE N . 25660 1 943 . 1 1 82 82 PHE H H 1 6.529 0.006 . 1 . . . A 82 PHE H . 25660 1 944 . 1 1 82 82 PHE HA H 1 4.327 0.001 . 1 . . . A 82 PHE HA . 25660 1 945 . 1 1 82 82 PHE HB2 H 1 2.022 0.001 . 1 . . . A 82 PHE HB2 . 25660 1 946 . 1 1 82 82 PHE HB3 H 1 0.423 0.001 . 1 . . . A 82 PHE HB3 . 25660 1 947 . 1 1 82 82 PHE HD1 H 1 6.580 0.001 . 1 . . . A 82 PHE HD1 . 25660 1 948 . 1 1 82 82 PHE HD2 H 1 6.580 0.001 . 1 . . . A 82 PHE HD2 . 25660 1 949 . 1 1 82 82 PHE HE1 H 1 7.276 0.001 . 1 . . . A 82 PHE HE1 . 25660 1 950 . 1 1 82 82 PHE HE2 H 1 7.276 0.001 . 1 . . . A 82 PHE HE2 . 25660 1 951 . 1 1 82 82 PHE HZ H 1 7.106 0.001 . 1 . . . A 82 PHE HZ . 25660 1 952 . 1 1 82 82 PHE C C 13 174.333 0.001 . 1 . . . A 82 PHE C . 25660 1 953 . 1 1 82 82 PHE CA C 13 56.578 0.004 . 1 . . . A 82 PHE CA . 25660 1 954 . 1 1 82 82 PHE CB C 13 40.644 0.001 . 1 . . . A 82 PHE CB . 25660 1 955 . 1 1 82 82 PHE N N 15 123.143 0.001 . 1 . . . A 82 PHE N . 25660 1 956 . 1 1 83 83 VAL H H 1 7.739 0.003 . 1 . . . A 83 VAL H . 25660 1 957 . 1 1 83 83 VAL HA H 1 3.286 0.001 . 1 . . . A 83 VAL HA . 25660 1 958 . 1 1 83 83 VAL HB H 1 1.673 0.003 . 1 . . . A 83 VAL HB . 25660 1 959 . 1 1 83 83 VAL HG11 H 1 0.613 0.002 . 1 . . . A 83 VAL HG11 . 25660 1 960 . 1 1 83 83 VAL HG12 H 1 0.613 0.002 . 1 . . . A 83 VAL HG12 . 25660 1 961 . 1 1 83 83 VAL HG13 H 1 0.613 0.002 . 1 . . . A 83 VAL HG13 . 25660 1 962 . 1 1 83 83 VAL HG21 H 1 0.613 0.002 . 1 . . . A 83 VAL HG21 . 25660 1 963 . 1 1 83 83 VAL HG22 H 1 0.613 0.002 . 1 . . . A 83 VAL HG22 . 25660 1 964 . 1 1 83 83 VAL HG23 H 1 0.613 0.002 . 1 . . . A 83 VAL HG23 . 25660 1 965 . 1 1 83 83 VAL C C 13 174.444 0.001 . 1 . . . A 83 VAL C . 25660 1 966 . 1 1 83 83 VAL CA C 13 64.273 0.001 . 1 . . . A 83 VAL CA . 25660 1 967 . 1 1 83 83 VAL CB C 13 31.352 0.001 . 1 . . . A 83 VAL CB . 25660 1 968 . 1 1 83 83 VAL CG1 C 13 19.775 0.001 . 1 . . . A 83 VAL CG1 . 25660 1 969 . 1 1 83 83 VAL CG2 C 13 19.675 0.001 . 1 . . . A 83 VAL CG2 . 25660 1 970 . 1 1 83 83 VAL N N 15 125.079 0.001 . 1 . . . A 83 VAL N . 25660 1 971 . 1 1 84 84 GLY HA2 H 1 2.851 0.001 . 1 . . . A 84 GLY HA2 . 25660 1 972 . 1 1 84 84 GLY HA3 H 1 4.194 0.001 . 1 . . . A 84 GLY HA3 . 25660 1 973 . 1 1 84 84 GLY C C 13 172.113 0.001 . 1 . . . A 84 GLY C . 25660 1 974 . 1 1 84 84 GLY CA C 13 42.836 0.001 . 1 . . . A 84 GLY CA . 25660 1 975 . 1 1 85 85 ILE H H 1 8.327 0.001 . 1 . . . A 85 ILE H . 25660 1 976 . 1 1 85 85 ILE HA H 1 4.136 0.001 . 1 . . . A 85 ILE HA . 25660 1 977 . 1 1 85 85 ILE HB H 1 1.356 0.001 . 1 . . . A 85 ILE HB . 25660 1 978 . 1 1 85 85 ILE HG12 H 1 1.616 0.001 . 1 . . . A 85 ILE HG12 . 25660 1 979 . 1 1 85 85 ILE HG13 H 1 1.174 0.001 . 1 . . . A 85 ILE HG13 . 25660 1 980 . 1 1 85 85 ILE HG21 H 1 0.933 0.002 . 1 . . . A 85 ILE HG21 . 25660 1 981 . 1 1 85 85 ILE HG22 H 1 0.933 0.002 . 1 . . . A 85 ILE HG22 . 25660 1 982 . 1 1 85 85 ILE HG23 H 1 0.933 0.002 . 1 . . . A 85 ILE HG23 . 25660 1 983 . 1 1 85 85 ILE HD11 H 1 0.892 0.001 . 1 . . . A 85 ILE HD11 . 25660 1 984 . 1 1 85 85 ILE HD12 H 1 0.892 0.001 . 1 . . . A 85 ILE HD12 . 25660 1 985 . 1 1 85 85 ILE HD13 H 1 0.892 0.001 . 1 . . . A 85 ILE HD13 . 25660 1 986 . 1 1 85 85 ILE C C 13 175.103 0.001 . 1 . . . A 85 ILE C . 25660 1 987 . 1 1 85 85 ILE CA C 13 59.390 0.001 . 1 . . . A 85 ILE CA . 25660 1 988 . 1 1 85 85 ILE CB C 13 39.528 0.001 . 1 . . . A 85 ILE CB . 25660 1 989 . 1 1 85 85 ILE CG1 C 13 26.889 0.001 . 1 . . . A 85 ILE CG1 . 25660 1 990 . 1 1 85 85 ILE CG2 C 13 18.367 0.001 . 1 . . . A 85 ILE CG2 . 25660 1 991 . 1 1 85 85 ILE CD1 C 13 14.053 0.001 . 1 . . . A 85 ILE CD1 . 25660 1 992 . 1 1 85 85 ILE N N 15 120.758 0.001 . 1 . . . A 85 ILE N . 25660 1 993 . 1 1 86 86 LYS H H 1 8.518 0.001 . 1 . . . A 86 LYS H . 25660 1 994 . 1 1 86 86 LYS HA H 1 3.972 0.002 . 1 . . . A 86 LYS HA . 25660 1 995 . 1 1 86 86 LYS HB2 H 1 1.699 0.001 . 1 . . . A 86 LYS HB2 . 25660 1 996 . 1 1 86 86 LYS HB3 H 1 1.699 0.001 . 1 . . . A 86 LYS HB3 . 25660 1 997 . 1 1 86 86 LYS HE2 H 1 2.831 0.001 . 1 . . . A 86 LYS HE2 . 25660 1 998 . 1 1 86 86 LYS HE3 H 1 2.831 0.001 . 1 . . . A 86 LYS HE3 . 25660 1 999 . 1 1 86 86 LYS C C 13 178.442 0.001 . 1 . . . A 86 LYS C . 25660 1 1000 . 1 1 86 86 LYS CA C 13 58.619 0.001 . 1 . . . A 86 LYS CA . 25660 1 1001 . 1 1 86 86 LYS CB C 13 32.343 0.001 . 1 . . . A 86 LYS CB . 25660 1 1002 . 1 1 86 86 LYS CG C 13 24.348 0.001 . 1 . . . A 86 LYS CG . 25660 1 1003 . 1 1 86 86 LYS CD C 13 29.648 0.001 . 1 . . . A 86 LYS CD . 25660 1 1004 . 1 1 86 86 LYS CE C 13 41.883 0.001 . 1 . . . A 86 LYS CE . 25660 1 1005 . 1 1 86 86 LYS N N 15 127.466 0.001 . 1 . . . A 86 LYS N . 25660 1 1006 . 1 1 87 87 LYS H H 1 8.368 0.001 . 1 . . . A 87 LYS H . 25660 1 1007 . 1 1 87 87 LYS HA H 1 4.247 0.001 . 1 . . . A 87 LYS HA . 25660 1 1008 . 1 1 87 87 LYS HB2 H 1 1.789 0.001 . 1 . . . A 87 LYS HB2 . 25660 1 1009 . 1 1 87 87 LYS HB3 H 1 1.674 0.001 . 1 . . . A 87 LYS HB3 . 25660 1 1010 . 1 1 87 87 LYS HG2 H 1 1.539 0.002 . 1 . . . A 87 LYS HG2 . 25660 1 1011 . 1 1 87 87 LYS HG3 H 1 1.391 0.002 . 1 . . . A 87 LYS HG3 . 25660 1 1012 . 1 1 87 87 LYS HD2 H 1 1.641 0.001 . 1 . . . A 87 LYS HD2 . 25660 1 1013 . 1 1 87 87 LYS HD3 H 1 1.641 0.001 . 1 . . . A 87 LYS HD3 . 25660 1 1014 . 1 1 87 87 LYS HE2 H 1 2.913 0.001 . 1 . . . A 87 LYS HE2 . 25660 1 1015 . 1 1 87 87 LYS HE3 H 1 2.913 0.001 . 1 . . . A 87 LYS HE3 . 25660 1 1016 . 1 1 87 87 LYS C C 13 177.569 0.001 . 1 . . . A 87 LYS C . 25660 1 1017 . 1 1 87 87 LYS CA C 13 56.865 0.001 . 1 . . . A 87 LYS CA . 25660 1 1018 . 1 1 87 87 LYS CB C 13 32.531 0.001 . 1 . . . A 87 LYS CB . 25660 1 1019 . 1 1 87 87 LYS CG C 13 25.344 0.001 . 1 . . . A 87 LYS CG . 25660 1 1020 . 1 1 87 87 LYS CD C 13 29.020 0.001 . 1 . . . A 87 LYS CD . 25660 1 1021 . 1 1 87 87 LYS CE C 13 41.848 0.001 . 1 . . . A 87 LYS CE . 25660 1 1022 . 1 1 87 87 LYS N N 15 120.309 0.001 . 1 . . . A 87 LYS N . 25660 1 1023 . 1 1 88 88 LYS H H 1 9.151 0.004 . 1 . . . A 88 LYS H . 25660 1 1024 . 1 1 88 88 LYS HA H 1 3.562 0.001 . 1 . . . A 88 LYS HA . 25660 1 1025 . 1 1 88 88 LYS HB2 H 1 1.781 0.001 . 1 . . . A 88 LYS HB2 . 25660 1 1026 . 1 1 88 88 LYS HB3 H 1 1.699 0.001 . 1 . . . A 88 LYS HB3 . 25660 1 1027 . 1 1 88 88 LYS HG2 H 1 1.321 0.001 . 1 . . . A 88 LYS HG2 . 25660 1 1028 . 1 1 88 88 LYS HG3 H 1 1.321 0.001 . 1 . . . A 88 LYS HG3 . 25660 1 1029 . 1 1 88 88 LYS HD2 H 1 1.538 0.001 . 1 . . . A 88 LYS HD2 . 25660 1 1030 . 1 1 88 88 LYS HD3 H 1 1.538 0.001 . 1 . . . A 88 LYS HD3 . 25660 1 1031 . 1 1 88 88 LYS HE2 H 1 2.857 0.001 . 1 . . . A 88 LYS HE2 . 25660 1 1032 . 1 1 88 88 LYS HE3 H 1 2.857 0.001 . 1 . . . A 88 LYS HE3 . 25660 1 1033 . 1 1 88 88 LYS C C 13 177.664 0.001 . 1 . . . A 88 LYS C . 25660 1 1034 . 1 1 88 88 LYS CA C 13 60.314 0.001 . 1 . . . A 88 LYS CA . 25660 1 1035 . 1 1 88 88 LYS CB C 13 32.083 0.001 . 1 . . . A 88 LYS CB . 25660 1 1036 . 1 1 88 88 LYS CG C 13 24.802 0.001 . 1 . . . A 88 LYS CG . 25660 1 1037 . 1 1 88 88 LYS CD C 13 29.271 0.001 . 1 . . . A 88 LYS CD . 25660 1 1038 . 1 1 88 88 LYS CE C 13 41.650 0.001 . 1 . . . A 88 LYS CE . 25660 1 1039 . 1 1 88 88 LYS N N 15 129.999 0.001 . 1 . . . A 88 LYS N . 25660 1 1040 . 1 1 89 89 GLU H H 1 9.462 0.009 . 1 . . . A 89 GLU H . 25660 1 1041 . 1 1 89 89 GLU HA H 1 3.899 0.001 . 1 . . . A 89 GLU HA . 25660 1 1042 . 1 1 89 89 GLU HB2 H 1 1.920 0.002 . 1 . . . A 89 GLU HB2 . 25660 1 1043 . 1 1 89 89 GLU HB3 H 1 1.920 0.002 . 1 . . . A 89 GLU HB3 . 25660 1 1044 . 1 1 89 89 GLU HG2 H 1 2.320 0.001 . 1 . . . A 89 GLU HG2 . 25660 1 1045 . 1 1 89 89 GLU HG3 H 1 2.253 0.001 . 1 . . . A 89 GLU HG3 . 25660 1 1046 . 1 1 89 89 GLU C C 13 177.911 0.001 . 1 . . . A 89 GLU C . 25660 1 1047 . 1 1 89 89 GLU CA C 13 59.760 0.001 . 1 . . . A 89 GLU CA . 25660 1 1048 . 1 1 89 89 GLU CB C 13 28.814 0.001 . 1 . . . A 89 GLU CB . 25660 1 1049 . 1 1 89 89 GLU CG C 13 36.428 0.001 . 1 . . . A 89 GLU CG . 25660 1 1050 . 1 1 89 89 GLU N N 15 117.925 0.001 . 1 . . . A 89 GLU N . 25660 1 1051 . 1 1 90 90 GLU H H 1 6.347 0.005 . 1 . . . A 90 GLU H . 25660 1 1052 . 1 1 90 90 GLU HA H 1 4.198 0.001 . 1 . . . A 90 GLU HA . 25660 1 1053 . 1 1 90 90 GLU HB2 H 1 1.999 0.002 . 1 . . . A 90 GLU HB2 . 25660 1 1054 . 1 1 90 90 GLU HB3 H 1 1.919 0.001 . 1 . . . A 90 GLU HB3 . 25660 1 1055 . 1 1 90 90 GLU HG2 H 1 2.316 0.001 . 1 . . . A 90 GLU HG2 . 25660 1 1056 . 1 1 90 90 GLU HG3 H 1 2.253 0.001 . 1 . . . A 90 GLU HG3 . 25660 1 1057 . 1 1 90 90 GLU C C 13 178.730 0.001 . 1 . . . A 90 GLU C . 25660 1 1058 . 1 1 90 90 GLU CA C 13 58.277 0.001 . 1 . . . A 90 GLU CA . 25660 1 1059 . 1 1 90 90 GLU CB C 13 29.990 0.001 . 1 . . . A 90 GLU CB . 25660 1 1060 . 1 1 90 90 GLU CG C 13 36.943 0.001 . 1 . . . A 90 GLU CG . 25660 1 1061 . 1 1 90 90 GLU N N 15 116.437 0.001 . 1 . . . A 90 GLU N . 25660 1 1062 . 1 1 91 91 ARG H H 1 7.423 0.001 . 1 . . . A 91 ARG H . 25660 1 1063 . 1 1 91 91 ARG HA H 1 3.740 0.002 . 1 . . . A 91 ARG HA . 25660 1 1064 . 1 1 91 91 ARG HB2 H 1 2.083 0.002 . 1 . . . A 91 ARG HB2 . 25660 1 1065 . 1 1 91 91 ARG HB3 H 1 1.830 0.001 . 1 . . . A 91 ARG HB3 . 25660 1 1066 . 1 1 91 91 ARG HG2 H 1 1.706 0.001 . 1 . . . A 91 ARG HG2 . 25660 1 1067 . 1 1 91 91 ARG HG3 H 1 1.180 0.001 . 1 . . . A 91 ARG HG3 . 25660 1 1068 . 1 1 91 91 ARG HD2 H 1 3.266 0.001 . 1 . . . A 91 ARG HD2 . 25660 1 1069 . 1 1 91 91 ARG HD3 H 1 3.179 0.001 . 1 . . . A 91 ARG HD3 . 25660 1 1070 . 1 1 91 91 ARG HE H 1 6.206 0.001 . 1 . . . A 91 ARG HE . 25660 1 1071 . 1 1 91 91 ARG C C 13 177.430 0.001 . 1 . . . A 91 ARG C . 25660 1 1072 . 1 1 91 91 ARG CA C 13 61.182 0.001 . 1 . . . A 91 ARG CA . 25660 1 1073 . 1 1 91 91 ARG CB C 13 31.106 0.001 . 1 . . . A 91 ARG CB . 25660 1 1074 . 1 1 91 91 ARG CG C 13 29.904 0.001 . 1 . . . A 91 ARG CG . 25660 1 1075 . 1 1 91 91 ARG CD C 13 43.817 0.043 . 1 . . . A 91 ARG CD . 25660 1 1076 . 1 1 91 91 ARG N N 15 117.405 0.001 . 1 . . . A 91 ARG N . 25660 1 1077 . 1 1 92 92 ALA H H 1 8.668 0.001 . 1 . . . A 92 ALA H . 25660 1 1078 . 1 1 92 92 ALA HA H 1 3.970 0.001 . 1 . . . A 92 ALA HA . 25660 1 1079 . 1 1 92 92 ALA HB1 H 1 1.426 0.002 . 1 . . . A 92 ALA HB1 . 25660 1 1080 . 1 1 92 92 ALA HB2 H 1 1.426 0.002 . 1 . . . A 92 ALA HB2 . 25660 1 1081 . 1 1 92 92 ALA HB3 H 1 1.426 0.002 . 1 . . . A 92 ALA HB3 . 25660 1 1082 . 1 1 92 92 ALA C C 13 181.044 0.001 . 1 . . . A 92 ALA C . 25660 1 1083 . 1 1 92 92 ALA CA C 13 55.281 0.001 . 1 . . . A 92 ALA CA . 25660 1 1084 . 1 1 92 92 ALA CB C 13 17.539 0.001 . 1 . . . A 92 ALA CB . 25660 1 1085 . 1 1 92 92 ALA N N 15 120.161 0.001 . 1 . . . A 92 ALA N . 25660 1 1086 . 1 1 93 93 ASP H H 1 8.153 0.001 . 1 . . . A 93 ASP H . 25660 1 1087 . 1 1 93 93 ASP HA H 1 4.208 0.003 . 1 . . . A 93 ASP HA . 25660 1 1088 . 1 1 93 93 ASP HB2 H 1 2.604 0.002 . 1 . . . A 93 ASP HB2 . 25660 1 1089 . 1 1 93 93 ASP HB3 H 1 2.604 0.002 . 1 . . . A 93 ASP HB3 . 25660 1 1090 . 1 1 93 93 ASP C C 13 177.634 0.001 . 1 . . . A 93 ASP C . 25660 1 1091 . 1 1 93 93 ASP CA C 13 58.147 0.001 . 1 . . . A 93 ASP CA . 25660 1 1092 . 1 1 93 93 ASP CB C 13 39.552 0.001 . 1 . . . A 93 ASP CB . 25660 1 1093 . 1 1 93 93 ASP N N 15 122.101 0.001 . 1 . . . A 93 ASP N . 25660 1 1094 . 1 1 94 94 LEU H H 1 8.183 0.001 . 1 . . . A 94 LEU H . 25660 1 1095 . 1 1 94 94 LEU HA H 1 4.205 0.002 . 1 . . . A 94 LEU HA . 25660 1 1096 . 1 1 94 94 LEU HB2 H 1 2.250 0.002 . 1 . . . A 94 LEU HB2 . 25660 1 1097 . 1 1 94 94 LEU HB3 H 1 1.746 0.002 . 1 . . . A 94 LEU HB3 . 25660 1 1098 . 1 1 94 94 LEU HG H 1 1.415 0.002 . 1 . . . A 94 LEU HG . 25660 1 1099 . 1 1 94 94 LEU HD11 H 1 1.001 0.001 . 1 . . . A 94 LEU HD11 . 25660 1 1100 . 1 1 94 94 LEU HD12 H 1 1.001 0.001 . 1 . . . A 94 LEU HD12 . 25660 1 1101 . 1 1 94 94 LEU HD13 H 1 1.001 0.001 . 1 . . . A 94 LEU HD13 . 25660 1 1102 . 1 1 94 94 LEU HD21 H 1 1.001 0.001 . 1 . . . A 94 LEU HD21 . 25660 1 1103 . 1 1 94 94 LEU HD22 H 1 1.001 0.001 . 1 . . . A 94 LEU HD22 . 25660 1 1104 . 1 1 94 94 LEU HD23 H 1 1.001 0.001 . 1 . . . A 94 LEU HD23 . 25660 1 1105 . 1 1 94 94 LEU C C 13 178.395 0.001 . 1 . . . A 94 LEU C . 25660 1 1106 . 1 1 94 94 LEU CA C 13 58.295 0.001 . 1 . . . A 94 LEU CA . 25660 1 1107 . 1 1 94 94 LEU CB C 13 41.711 0.001 . 1 . . . A 94 LEU CB . 25660 1 1108 . 1 1 94 94 LEU CG C 13 28.716 0.001 . 1 . . . A 94 LEU CG . 25660 1 1109 . 1 1 94 94 LEU CD1 C 13 27.558 0.001 . 1 . . . A 94 LEU CD1 . 25660 1 1110 . 1 1 94 94 LEU CD2 C 13 24.198 0.001 . 1 . . . A 94 LEU CD2 . 25660 1 1111 . 1 1 94 94 LEU N N 15 121.208 0.001 . 1 . . . A 94 LEU N . 25660 1 1112 . 1 1 95 95 ILE H H 1 8.974 0.001 . 1 . . . A 95 ILE H . 25660 1 1113 . 1 1 95 95 ILE HA H 1 3.609 0.002 . 1 . . . A 95 ILE HA . 25660 1 1114 . 1 1 95 95 ILE HB H 1 1.955 0.001 . 1 . . . A 95 ILE HB . 25660 1 1115 . 1 1 95 95 ILE HG12 H 1 1.884 0.001 . 1 . . . A 95 ILE HG12 . 25660 1 1116 . 1 1 95 95 ILE HG13 H 1 0.956 0.001 . 1 . . . A 95 ILE HG13 . 25660 1 1117 . 1 1 95 95 ILE HG21 H 1 1.115 0.001 . 1 . . . A 95 ILE HG21 . 25660 1 1118 . 1 1 95 95 ILE HG22 H 1 1.115 0.001 . 1 . . . A 95 ILE HG22 . 25660 1 1119 . 1 1 95 95 ILE HG23 H 1 1.115 0.001 . 1 . . . A 95 ILE HG23 . 25660 1 1120 . 1 1 95 95 ILE HD11 H 1 0.882 0.001 . 1 . . . A 95 ILE HD11 . 25660 1 1121 . 1 1 95 95 ILE HD12 H 1 0.882 0.001 . 1 . . . A 95 ILE HD12 . 25660 1 1122 . 1 1 95 95 ILE HD13 H 1 0.882 0.001 . 1 . . . A 95 ILE HD13 . 25660 1 1123 . 1 1 95 95 ILE C C 13 176.351 0.001 . 1 . . . A 95 ILE C . 25660 1 1124 . 1 1 95 95 ILE CA C 13 66.222 0.001 . 1 . . . A 95 ILE CA . 25660 1 1125 . 1 1 95 95 ILE CB C 13 37.668 0.001 . 1 . . . A 95 ILE CB . 25660 1 1126 . 1 1 95 95 ILE CG1 C 13 31.889 0.001 . 1 . . . A 95 ILE CG1 . 25660 1 1127 . 1 1 95 95 ILE CG2 C 13 17.883 0.001 . 1 . . . A 95 ILE CG2 . 25660 1 1128 . 1 1 95 95 ILE CD1 C 13 14.288 0.001 . 1 . . . A 95 ILE CD1 . 25660 1 1129 . 1 1 95 95 ILE N N 15 120.159 0.001 . 1 . . . A 95 ILE N . 25660 1 1130 . 1 1 96 96 ALA H H 1 7.974 0.002 . 1 . . . A 96 ALA H . 25660 1 1131 . 1 1 96 96 ALA HA H 1 4.026 0.002 . 1 . . . A 96 ALA HA . 25660 1 1132 . 1 1 96 96 ALA HB1 H 1 1.314 0.002 . 1 . . . A 96 ALA HB1 . 25660 1 1133 . 1 1 96 96 ALA HB2 H 1 1.314 0.002 . 1 . . . A 96 ALA HB2 . 25660 1 1134 . 1 1 96 96 ALA HB3 H 1 1.314 0.002 . 1 . . . A 96 ALA HB3 . 25660 1 1135 . 1 1 96 96 ALA C C 13 180.700 0.001 . 1 . . . A 96 ALA C . 25660 1 1136 . 1 1 96 96 ALA CA C 13 54.933 0.001 . 1 . . . A 96 ALA CA . 25660 1 1137 . 1 1 96 96 ALA CB C 13 16.970 0.001 . 1 . . . A 96 ALA CB . 25660 1 1138 . 1 1 96 96 ALA N N 15 123.001 0.001 . 1 . . . A 96 ALA N . 25660 1 1139 . 1 1 97 97 TYR H H 1 8.089 0.005 . 1 . . . A 97 TYR H . 25660 1 1140 . 1 1 97 97 TYR HA H 1 4.197 0.001 . 1 . . . A 97 TYR HA . 25660 1 1141 . 1 1 97 97 TYR HB2 H 1 3.582 0.001 . 1 . . . A 97 TYR HB2 . 25660 1 1142 . 1 1 97 97 TYR HB3 H 1 3.044 0.001 . 1 . . . A 97 TYR HB3 . 25660 1 1143 . 1 1 97 97 TYR HD1 H 1 7.040 0.001 . 1 . . . A 97 TYR HD1 . 25660 1 1144 . 1 1 97 97 TYR HD2 H 1 6.491 0.001 . 1 . . . A 97 TYR HD2 . 25660 1 1145 . 1 1 97 97 TYR HE1 H 1 6.599 0.001 . 1 . . . A 97 TYR HE1 . 25660 1 1146 . 1 1 97 97 TYR HE2 H 1 5.457 0.001 . 1 . . . A 97 TYR HE2 . 25660 1 1147 . 1 1 97 97 TYR C C 13 176.278 0.001 . 1 . . . A 97 TYR C . 25660 1 1148 . 1 1 97 97 TYR CA C 13 61.456 0.001 . 1 . . . A 97 TYR CA . 25660 1 1149 . 1 1 97 97 TYR CB C 13 36.943 0.001 . 1 . . . A 97 TYR CB . 25660 1 1150 . 1 1 97 97 TYR N N 15 118.224 0.001 . 1 . . . A 97 TYR N . 25660 1 1151 . 1 1 98 98 LEU H H 1 8.982 0.002 . 1 . . . A 98 LEU H . 25660 1 1152 . 1 1 98 98 LEU HA H 1 3.334 0.001 . 1 . . . A 98 LEU HA . 25660 1 1153 . 1 1 98 98 LEU HB2 H 1 2.216 0.001 . 1 . . . A 98 LEU HB2 . 25660 1 1154 . 1 1 98 98 LEU HB3 H 1 1.264 0.002 . 1 . . . A 98 LEU HB3 . 25660 1 1155 . 1 1 98 98 LEU HG H 1 2.106 0.001 . 1 . . . A 98 LEU HG . 25660 1 1156 . 1 1 98 98 LEU HD11 H 1 1.019 0.001 . 1 . . . A 98 LEU HD11 . 25660 1 1157 . 1 1 98 98 LEU HD12 H 1 1.019 0.001 . 1 . . . A 98 LEU HD12 . 25660 1 1158 . 1 1 98 98 LEU HD13 H 1 1.019 0.001 . 1 . . . A 98 LEU HD13 . 25660 1 1159 . 1 1 98 98 LEU HD21 H 1 0.544 0.001 . 1 . . . A 98 LEU HD21 . 25660 1 1160 . 1 1 98 98 LEU HD22 H 1 0.544 0.001 . 1 . . . A 98 LEU HD22 . 25660 1 1161 . 1 1 98 98 LEU HD23 H 1 0.544 0.001 . 1 . . . A 98 LEU HD23 . 25660 1 1162 . 1 1 98 98 LEU C C 13 179.188 0.001 . 1 . . . A 98 LEU C . 25660 1 1163 . 1 1 98 98 LEU CA C 13 57.650 0.001 . 1 . . . A 98 LEU CA . 25660 1 1164 . 1 1 98 98 LEU CB C 13 41.645 0.001 . 1 . . . A 98 LEU CB . 25660 1 1165 . 1 1 98 98 LEU CG C 13 25.694 0.001 . 1 . . . A 98 LEU CG . 25660 1 1166 . 1 1 98 98 LEU CD1 C 13 25.508 0.001 . 1 . . . A 98 LEU CD1 . 25660 1 1167 . 1 1 98 98 LEU CD2 C 13 22.455 0.001 . 1 . . . A 98 LEU CD2 . 25660 1 1168 . 1 1 98 98 LEU N N 15 119.118 0.001 . 1 . . . A 98 LEU N . 25660 1 1169 . 1 1 99 99 LYS H H 1 8.945 0.001 . 1 . . . A 99 LYS H . 25660 1 1170 . 1 1 99 99 LYS HA H 1 2.549 0.002 . 1 . . . A 99 LYS HA . 25660 1 1171 . 1 1 99 99 LYS HB2 H 1 1.482 0.004 . 1 . . . A 99 LYS HB2 . 25660 1 1172 . 1 1 99 99 LYS HB3 H 1 1.249 0.002 . 1 . . . A 99 LYS HB3 . 25660 1 1173 . 1 1 99 99 LYS HG2 H 1 0.712 0.001 . 1 . . . A 99 LYS HG2 . 25660 1 1174 . 1 1 99 99 LYS HG3 H 1 0.246 0.003 . 1 . . . A 99 LYS HG3 . 25660 1 1175 . 1 1 99 99 LYS HD2 H 1 1.233 0.001 . 1 . . . A 99 LYS HD2 . 25660 1 1176 . 1 1 99 99 LYS HD3 H 1 1.180 0.002 . 1 . . . A 99 LYS HD3 . 25660 1 1177 . 1 1 99 99 LYS HE2 H 1 2.631 0.002 . 1 . . . A 99 LYS HE2 . 25660 1 1178 . 1 1 99 99 LYS HE3 H 1 2.631 0.002 . 1 . . . A 99 LYS HE3 . 25660 1 1179 . 1 1 99 99 LYS C C 13 176.653 0.001 . 1 . . . A 99 LYS C . 25660 1 1180 . 1 1 99 99 LYS CA C 13 59.190 0.001 . 1 . . . A 99 LYS CA . 25660 1 1181 . 1 1 99 99 LYS CB C 13 31.869 0.001 . 1 . . . A 99 LYS CB . 25660 1 1182 . 1 1 99 99 LYS CG C 13 24.548 0.001 . 1 . . . A 99 LYS CG . 25660 1 1183 . 1 1 99 99 LYS CD C 13 29.179 0.001 . 1 . . . A 99 LYS CD . 25660 1 1184 . 1 1 99 99 LYS CE C 13 41.722 0.001 . 1 . . . A 99 LYS CE . 25660 1 1185 . 1 1 99 99 LYS N N 15 123.889 0.001 . 1 . . . A 99 LYS N . 25660 1 1186 . 1 1 100 100 LYS H H 1 6.724 0.006 . 1 . . . A 100 LYS H . 25660 1 1187 . 1 1 100 100 LYS HA H 1 3.976 0.002 . 1 . . . A 100 LYS HA . 25660 1 1188 . 1 1 100 100 LYS HB2 H 1 1.673 0.001 . 1 . . . A 100 LYS HB2 . 25660 1 1189 . 1 1 100 100 LYS HB3 H 1 1.642 0.002 . 1 . . . A 100 LYS HB3 . 25660 1 1190 . 1 1 100 100 LYS HG2 H 1 1.261 0.001 . 1 . . . A 100 LYS HG2 . 25660 1 1191 . 1 1 100 100 LYS HG3 H 1 1.119 0.001 . 1 . . . A 100 LYS HG3 . 25660 1 1192 . 1 1 100 100 LYS HD2 H 1 1.606 0.002 . 1 . . . A 100 LYS HD2 . 25660 1 1193 . 1 1 100 100 LYS HD3 H 1 1.606 0.002 . 1 . . . A 100 LYS HD3 . 25660 1 1194 . 1 1 100 100 LYS HE2 H 1 2.885 0.003 . 1 . . . A 100 LYS HE2 . 25660 1 1195 . 1 1 100 100 LYS HE3 H 1 2.885 0.003 . 1 . . . A 100 LYS HE3 . 25660 1 1196 . 1 1 100 100 LYS C C 13 178.363 0.001 . 1 . . . A 100 LYS C . 25660 1 1197 . 1 1 100 100 LYS CA C 13 57.655 0.001 . 1 . . . A 100 LYS CA . 25660 1 1198 . 1 1 100 100 LYS CB C 13 33.175 0.001 . 1 . . . A 100 LYS CB . 25660 1 1199 . 1 1 100 100 LYS CG C 13 24.236 0.001 . 1 . . . A 100 LYS CG . 25660 1 1200 . 1 1 100 100 LYS CD C 13 29.587 0.001 . 1 . . . A 100 LYS CD . 25660 1 1201 . 1 1 100 100 LYS CE C 13 41.733 0.001 . 1 . . . A 100 LYS CE . 25660 1 1202 . 1 1 100 100 LYS N N 15 116.726 0.001 . 1 . . . A 100 LYS N . 25660 1 1203 . 1 1 101 101 ALA H H 1 8.539 0.002 . 1 . . . A 101 ALA H . 25660 1 1204 . 1 1 101 101 ALA HA H 1 3.795 0.001 . 1 . . . A 101 ALA HA . 25660 1 1205 . 1 1 101 101 ALA HB1 H 1 0.460 0.003 . 1 . . . A 101 ALA HB1 . 25660 1 1206 . 1 1 101 101 ALA HB2 H 1 0.460 0.003 . 1 . . . A 101 ALA HB2 . 25660 1 1207 . 1 1 101 101 ALA HB3 H 1 0.460 0.003 . 1 . . . A 101 ALA HB3 . 25660 1 1208 . 1 1 101 101 ALA C C 13 179.576 0.001 . 1 . . . A 101 ALA C . 25660 1 1209 . 1 1 101 101 ALA CA C 13 54.401 0.001 . 1 . . . A 101 ALA CA . 25660 1 1210 . 1 1 101 101 ALA CB C 13 18.353 0.001 . 1 . . . A 101 ALA CB . 25660 1 1211 . 1 1 101 101 ALA N N 15 119.416 0.001 . 1 . . . A 101 ALA N . 25660 1 1212 . 1 1 102 102 THR H H 1 7.810 0.004 . 1 . . . A 102 THR H . 25660 1 1213 . 1 1 102 102 THR HA H 1 4.157 0.001 . 1 . . . A 102 THR HA . 25660 1 1214 . 1 1 102 102 THR HB H 1 4.625 0.001 . 1 . . . A 102 THR HB . 25660 1 1215 . 1 1 102 102 THR HG21 H 1 0.896 0.002 . 1 . . . A 102 THR HG21 . 25660 1 1216 . 1 1 102 102 THR HG22 H 1 0.896 0.002 . 1 . . . A 102 THR HG22 . 25660 1 1217 . 1 1 102 102 THR HG23 H 1 0.896 0.002 . 1 . . . A 102 THR HG23 . 25660 1 1218 . 1 1 102 102 THR C C 13 172.872 0.001 . 1 . . . A 102 THR C . 25660 1 1219 . 1 1 102 102 THR CA C 13 61.954 0.001 . 1 . . . A 102 THR CA . 25660 1 1220 . 1 1 102 102 THR CB C 13 69.403 0.001 . 1 . . . A 102 THR CB . 25660 1 1221 . 1 1 102 102 THR CG2 C 13 21.945 0.001 . 1 . . . A 102 THR CG2 . 25660 1 1222 . 1 1 102 102 THR N N 15 101.974 0.001 . 1 . . . A 102 THR N . 25660 1 1223 . 1 1 103 103 ASN H H 1 6.968 0.007 . 1 . . . A 103 ASN H . 25660 1 1224 . 1 1 103 103 ASN HA H 1 4.767 0.001 . 1 . . . A 103 ASN HA . 25660 1 1225 . 1 1 103 103 ASN HB2 H 1 2.714 0.002 . 1 . . . A 103 ASN HB2 . 25660 1 1226 . 1 1 103 103 ASN HB3 H 1 2.387 0.002 . 1 . . . A 103 ASN HB3 . 25660 1 1227 . 1 1 103 103 ASN HD21 H 1 6.404 0.002 . 1 . . . A 103 ASN HD21 . 25660 1 1228 . 1 1 103 103 ASN HD22 H 1 7.807 0.001 . 1 . . . A 103 ASN HD22 . 25660 1 1229 . 1 1 103 103 ASN C C 13 173.663 0.001 . 1 . . . A 103 ASN C . 25660 1 1230 . 1 1 103 103 ASN CA C 13 52.469 0.001 . 1 . . . A 103 ASN CA . 25660 1 1231 . 1 1 103 103 ASN CB C 13 41.376 0.001 . 1 . . . A 103 ASN CB . 25660 1 1232 . 1 1 103 103 ASN N N 15 118.372 0.001 . 1 . . . A 103 ASN N . 25660 1 1233 . 1 1 103 103 ASN ND2 N 15 114.098 0.001 . 1 . . . A 103 ASN ND2 . 25660 1 1234 . 1 1 104 104 GLU H H 1 7.157 0.008 . 1 . . . A 104 GLU H . 25660 1 1235 . 1 1 104 104 GLU HA H 1 4.135 0.001 . 1 . . . A 104 GLU HA . 25660 1 1236 . 1 1 104 104 GLU HB2 H 1 1.886 0.001 . 1 . . . A 104 GLU HB2 . 25660 1 1237 . 1 1 104 104 GLU HB3 H 1 1.810 0.001 . 1 . . . A 104 GLU HB3 . 25660 1 1238 . 1 1 104 104 GLU HG2 H 1 2.169 0.002 . 1 . . . A 104 GLU HG2 . 25660 1 1239 . 1 1 104 104 GLU HG3 H 1 2.169 0.002 . 1 . . . A 104 GLU HG3 . 25660 1 1240 . 1 1 104 104 GLU C C 13 180.562 0.001 . 1 . . . A 104 GLU C . 25660 1 1241 . 1 1 104 104 GLU CA C 13 57.673 0.001 . 1 . . . A 104 GLU CA . 25660 1 1242 . 1 1 104 104 GLU CB C 13 30.937 0.001 . 1 . . . A 104 GLU CB . 25660 1 1243 . 1 1 104 104 GLU CG C 13 35.972 0.001 . 1 . . . A 104 GLU CG . 25660 1 1244 . 1 1 104 104 GLU N N 15 124.633 0.001 . 1 . . . A 104 GLU N . 25660 1 1245 . 2 2 1 1 HEM HA71 H 1 4.062 0.001 . 1 . . . B 105 HEM HA71 . 25660 1 1246 . 2 2 1 1 HEM HA72 H 1 3.311 0.001 . 1 . . . B 105 HEM HA72 . 25660 1 1247 . 2 2 1 1 HEM HAM H 1 9.167 0.001 . 1 . . . B 105 HEM HAM . 25660 1 1248 . 2 2 1 1 HEM HB63 H 1 3.680 0.001 . 1 . . . B 105 HEM HB63 . 25660 1 1249 . 2 2 1 1 HEM HB64 H 1 2.580 0.001 . 1 . . . B 105 HEM HB64 . 25660 1 1250 . 2 2 1 1 HEM HB73 H 1 2.346 0.001 . 1 . . . B 105 HEM HB73 . 25660 1 1251 . 2 2 1 1 HEM HB74 H 1 3.001 0.001 . 1 . . . B 105 HEM HB74 . 25660 1 1252 . 2 2 1 1 HEM HBM H 1 9.530 0.008 . 1 . . . B 105 HEM HBM . 25660 1 1253 . 2 2 1 1 HEM HDM H 1 8.884 0.001 . 1 . . . B 105 HEM HDM . 25660 1 1254 . 2 2 1 1 HEM HGM H 1 9.571 0.001 . 1 . . . B 105 HEM HGM . 25660 1 1255 . 2 2 1 1 HEM HT2A H 1 5.109 0.001 . 1 . . . B 105 HEM HT2A . 25660 1 1256 . 2 2 1 1 HEM HT4A H 1 6.272 0.001 . 1 . . . B 105 HEM HT4A . 25660 1 1257 . 2 2 1 1 HEM HA6 H 1 4.389 0.001 . 1 . . . B 105 HEM QA6 . 25660 1 1258 . 2 2 1 1 HEM HM1 H 1 3.403 0.001 . 1 . . . B 105 HEM QM1 . 25660 1 1259 . 2 2 1 1 HEM HM3 H 1 3.735 0.001 . 1 . . . B 105 HEM QM3 . 25660 1 1260 . 2 2 1 1 HEM HM5 H 1 3.342 0.001 . 1 . . . B 105 HEM QM5 . 25660 1 1261 . 2 2 1 1 HEM HM8 H 1 2.057 0.001 . 1 . . . B 105 HEM QM8 . 25660 1 1262 . 2 2 1 1 HEM HT2 H 1 1.380 0.001 . 1 . . . B 105 HEM QT2 . 25660 1 1263 . 2 2 1 1 HEM HT4 H 1 2.461 0.001 . 1 . . . B 105 HEM QT4 . 25660 1 stop_ save_