################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 52911 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name Backbone_assignments _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 52911 1 2 '3D HNCA' . . . 52911 1 3 '3D HNCACB' . . . 52911 1 4 '3D HN(CO)CA' . . . 52911 1 5 '3D CBCA(CO)NH' . . . 52911 1 6 '3D HNCO' . . . 52911 1 7 '3D HN(CA)CO' . . . 52911 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 4 $software_4 . . 52911 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 1 1 GLN C C 13 175.158 0.000 . 1 . . . . . 1 GLN C . 52911 1 2 . 1 . 1 1 1 GLN CA C 13 55.999 0.000 . 1 . . . . . 1 GLN CA . 52911 1 3 . 1 . 1 1 1 GLN CB C 13 29.585 0.000 . 1 . . . . . 1 GLN CB . 52911 1 4 . 1 . 1 2 2 ASP H H 1 8.556 0.002 . 1 . . . . . 2 ASP H . 52911 1 5 . 1 . 1 2 2 ASP C C 13 176.298 0.002 . 1 . . . . . 2 ASP C . 52911 1 6 . 1 . 1 2 2 ASP CA C 13 54.429 0.002 . 1 . . . . . 2 ASP CA . 52911 1 7 . 1 . 1 2 2 ASP CB C 13 41.339 0.032 . 1 . . . . . 2 ASP CB . 52911 1 8 . 1 . 1 2 2 ASP N N 15 122.689 0.025 . 1 . . . . . 2 ASP N . 52911 1 9 . 1 . 1 3 3 SER H H 1 8.421 0.001 . 1 . . . . . 3 SER H . 52911 1 10 . 1 . 1 3 3 SER C C 13 175.080 0.002 . 1 . . . . . 3 SER C . 52911 1 11 . 1 . 1 3 3 SER CA C 13 58.518 0.008 . 1 . . . . . 3 SER CA . 52911 1 12 . 1 . 1 3 3 SER CB C 13 63.877 0.067 . 1 . . . . . 3 SER CB . 52911 1 13 . 1 . 1 3 3 SER N N 15 116.565 0.026 . 1 . . . . . 3 SER N . 52911 1 14 . 1 . 1 4 4 THR H H 1 8.354 0.001 . 1 . . . . . 4 THR H . 52911 1 15 . 1 . 1 4 4 THR C C 13 174.878 0.006 . 1 . . . . . 4 THR C . 52911 1 16 . 1 . 1 4 4 THR CA C 13 62.279 0.019 . 1 . . . . . 4 THR CA . 52911 1 17 . 1 . 1 4 4 THR CB C 13 69.712 0.010 . 1 . . . . . 4 THR CB . 52911 1 18 . 1 . 1 4 4 THR N N 15 115.677 0.027 . 1 . . . . . 4 THR N . 52911 1 19 . 1 . 1 5 5 SER H H 1 8.260 0.001 . 1 . . . . . 5 SER H . 52911 1 20 . 1 . 1 5 5 SER C C 13 174.110 0.002 . 1 . . . . . 5 SER C . 52911 1 21 . 1 . 1 5 5 SER CA C 13 58.585 0.008 . 1 . . . . . 5 SER CA . 52911 1 22 . 1 . 1 5 5 SER CB C 13 64.011 0.083 . 1 . . . . . 5 SER CB . 52911 1 23 . 1 . 1 5 5 SER N N 15 117.752 0.029 . 1 . . . . . 5 SER N . 52911 1 24 . 1 . 1 6 6 ASP H H 1 8.317 0.001 . 1 . . . . . 6 ASP H . 52911 1 25 . 1 . 1 6 6 ASP C C 13 175.683 0.006 . 1 . . . . . 6 ASP C . 52911 1 26 . 1 . 1 6 6 ASP CA C 13 54.355 0.001 . 1 . . . . . 6 ASP CA . 52911 1 27 . 1 . 1 6 6 ASP CB C 13 41.092 0.037 . 1 . . . . . 6 ASP CB . 52911 1 28 . 1 . 1 6 6 ASP N N 15 122.443 0.030 . 1 . . . . . 6 ASP N . 52911 1 29 . 1 . 1 7 7 LEU H H 1 8.027 0.002 . 1 . . . . . 7 LEU H . 52911 1 30 . 1 . 1 7 7 LEU C C 13 176.998 0.004 . 1 . . . . . 7 LEU C . 52911 1 31 . 1 . 1 7 7 LEU CA C 13 54.834 0.016 . 1 . . . . . 7 LEU CA . 52911 1 32 . 1 . 1 7 7 LEU CB C 13 42.577 0.039 . 1 . . . . . 7 LEU CB . 52911 1 33 . 1 . 1 7 7 LEU N N 15 122.381 0.027 . 1 . . . . . 7 LEU N . 52911 1 34 . 1 . 1 8 8 ILE H H 1 8.609 0.001 . 1 . . . . . 8 ILE H . 52911 1 35 . 1 . 1 8 8 ILE C C 13 173.740 0.000 . 1 . . . . . 8 ILE C . 52911 1 36 . 1 . 1 8 8 ILE CA C 13 58.768 0.000 . 1 . . . . . 8 ILE CA . 52911 1 37 . 1 . 1 8 8 ILE CB C 13 39.483 0.000 . 1 . . . . . 8 ILE CB . 52911 1 38 . 1 . 1 8 8 ILE N N 15 127.183 0.039 . 1 . . . . . 8 ILE N . 52911 1 39 . 1 . 1 9 9 PRO C C 13 175.605 0.000 . 1 . . . . . 9 PRO C . 52911 1 40 . 1 . 1 9 9 PRO CA C 13 62.346 0.000 . 1 . . . . . 9 PRO CA . 52911 1 41 . 1 . 1 9 9 PRO CB C 13 32.287 0.000 . 1 . . . . . 9 PRO CB . 52911 1 42 . 1 . 1 10 10 ALA H H 1 8.770 0.002 . 1 . . . . . 10 ALA H . 52911 1 43 . 1 . 1 10 10 ALA C C 13 175.528 0.000 . 1 . . . . . 10 ALA C . 52911 1 44 . 1 . 1 10 10 ALA CA C 13 50.286 0.000 . 1 . . . . . 10 ALA CA . 52911 1 45 . 1 . 1 10 10 ALA CB C 13 16.593 0.000 . 1 . . . . . 10 ALA CB . 52911 1 46 . 1 . 1 10 10 ALA N N 15 122.668 0.023 . 1 . . . . . 10 ALA N . 52911 1 47 . 1 . 1 12 12 PRO C C 13 178.098 0.000 . 1 . . . . . 12 PRO C . 52911 1 48 . 1 . 1 12 12 PRO CA C 13 62.005 0.000 . 1 . . . . . 12 PRO CA . 52911 1 49 . 1 . 1 12 12 PRO CB C 13 31.533 0.000 . 1 . . . . . 12 PRO CB . 52911 1 50 . 1 . 1 13 13 LEU H H 1 8.533 0.001 . 1 . . . . . 13 LEU H . 52911 1 51 . 1 . 1 13 13 LEU C C 13 178.634 0.013 . 1 . . . . . 13 LEU C . 52911 1 52 . 1 . 1 13 13 LEU CA C 13 57.188 0.004 . 1 . . . . . 13 LEU CA . 52911 1 53 . 1 . 1 13 13 LEU CB C 13 40.372 0.000 . 1 . . . . . 13 LEU CB . 52911 1 54 . 1 . 1 13 13 LEU N N 15 122.501 0.026 . 1 . . . . . 13 LEU N . 52911 1 55 . 1 . 1 14 14 SER H H 1 7.876 0.002 . 1 . . . . . 14 SER H . 52911 1 56 . 1 . 1 14 14 SER C C 13 176.031 0.000 . 1 . . . . . 14 SER C . 52911 1 57 . 1 . 1 14 14 SER CA C 13 59.862 0.011 . 1 . . . . . 14 SER CA . 52911 1 58 . 1 . 1 14 14 SER CB C 13 62.065 0.056 . 1 . . . . . 14 SER CB . 52911 1 59 . 1 . 1 14 14 SER N N 15 112.058 0.030 . 1 . . . . . 14 SER N . 52911 1 60 . 1 . 1 15 15 LYS H H 1 7.567 0.002 . 1 . . . . . 15 LYS H . 52911 1 61 . 1 . 1 15 15 LYS C C 13 174.534 0.004 . 1 . . . . . 15 LYS C . 52911 1 62 . 1 . 1 15 15 LYS CA C 13 56.003 0.001 . 1 . . . . . 15 LYS CA . 52911 1 63 . 1 . 1 15 15 LYS CB C 13 32.990 0.015 . 1 . . . . . 15 LYS CB . 52911 1 64 . 1 . 1 15 15 LYS N N 15 120.312 0.026 . 1 . . . . . 15 LYS N . 52911 1 65 . 1 . 1 16 16 VAL H H 1 7.431 0.001 . 1 . . . . . 16 VAL H . 52911 1 66 . 1 . 1 16 16 VAL C C 13 172.533 0.000 . 1 . . . . . 16 VAL C . 52911 1 67 . 1 . 1 16 16 VAL CA C 13 59.650 0.000 . 1 . . . . . 16 VAL CA . 52911 1 68 . 1 . 1 16 16 VAL CB C 13 31.491 0.000 . 1 . . . . . 16 VAL CB . 52911 1 69 . 1 . 1 16 16 VAL N N 15 120.371 0.030 . 1 . . . . . 16 VAL N . 52911 1 70 . 1 . 1 17 17 PRO C C 13 171.951 0.000 . 1 . . . . . 17 PRO C . 52911 1 71 . 1 . 1 17 17 PRO CA C 13 62.880 0.000 . 1 . . . . . 17 PRO CA . 52911 1 72 . 1 . 1 17 17 PRO CB C 13 32.431 0.000 . 1 . . . . . 17 PRO CB . 52911 1 73 . 1 . 1 18 18 LEU H H 1 7.369 0.002 . 1 . . . . . 18 LEU H . 52911 1 74 . 1 . 1 18 18 LEU C C 13 177.621 0.001 . 1 . . . . . 18 LEU C . 52911 1 75 . 1 . 1 18 18 LEU CA C 13 52.302 0.014 . 1 . . . . . 18 LEU CA . 52911 1 76 . 1 . 1 18 18 LEU CB C 13 45.958 0.041 . 1 . . . . . 18 LEU CB . 52911 1 77 . 1 . 1 18 18 LEU N N 15 116.007 0.036 . 1 . . . . . 18 LEU N . 52911 1 78 . 1 . 1 19 19 GLN H H 1 8.433 0.003 . 1 . . . . . 19 GLN H . 52911 1 79 . 1 . 1 19 19 GLN C C 13 175.051 0.002 . 1 . . . . . 19 GLN C . 52911 1 80 . 1 . 1 19 19 GLN CA C 13 55.558 0.002 . 1 . . . . . 19 GLN CA . 52911 1 81 . 1 . 1 19 19 GLN CB C 13 28.571 0.021 . 1 . . . . . 19 GLN CB . 52911 1 82 . 1 . 1 19 19 GLN N N 15 126.035 0.015 . 1 . . . . . 19 GLN N . 52911 1 83 . 1 . 1 20 20 GLN H H 1 8.910 0.002 . 1 . . . . . 20 GLN H . 52911 1 84 . 1 . 1 20 20 GLN C C 13 176.805 0.000 . 1 . . . . . 20 GLN C . 52911 1 85 . 1 . 1 20 20 GLN CA C 13 56.436 0.003 . 1 . . . . . 20 GLN CA . 52911 1 86 . 1 . 1 20 20 GLN CB C 13 29.060 0.039 . 1 . . . . . 20 GLN CB . 52911 1 87 . 1 . 1 20 20 GLN N N 15 130.458 0.029 . 1 . . . . . 20 GLN N . 52911 1 88 . 1 . 1 21 21 ASN H H 1 9.231 0.002 . 1 . . . . . 21 ASN H . 52911 1 89 . 1 . 1 21 21 ASN C C 13 175.158 0.003 . 1 . . . . . 21 ASN C . 52911 1 90 . 1 . 1 21 21 ASN CA C 13 53.683 0.004 . 1 . . . . . 21 ASN CA . 52911 1 91 . 1 . 1 21 21 ASN CB C 13 37.387 0.046 . 1 . . . . . 21 ASN CB . 52911 1 92 . 1 . 1 21 21 ASN N N 15 120.739 0.029 . 1 . . . . . 21 ASN N . 52911 1 93 . 1 . 1 22 22 PHE H H 1 7.824 0.004 . 1 . . . . . 22 PHE H . 52911 1 94 . 1 . 1 22 22 PHE C C 13 175.591 0.012 . 1 . . . . . 22 PHE C . 52911 1 95 . 1 . 1 22 22 PHE CA C 13 59.945 0.015 . 1 . . . . . 22 PHE CA . 52911 1 96 . 1 . 1 22 22 PHE CB C 13 39.554 0.021 . 1 . . . . . 22 PHE CB . 52911 1 97 . 1 . 1 22 22 PHE N N 15 117.806 0.025 . 1 . . . . . 22 PHE N . 52911 1 98 . 1 . 1 23 23 GLN H H 1 7.485 0.003 . 1 . . . . . 23 GLN H . 52911 1 99 . 1 . 1 23 23 GLN C C 13 174.257 0.020 . 1 . . . . . 23 GLN C . 52911 1 100 . 1 . 1 23 23 GLN CA C 13 52.780 0.006 . 1 . . . . . 23 GLN CA . 52911 1 101 . 1 . 1 23 23 GLN CB C 13 29.333 0.001 . 1 . . . . . 23 GLN CB . 52911 1 102 . 1 . 1 23 23 GLN N N 15 127.969 0.037 . 1 . . . . . 23 GLN N . 52911 1 103 . 1 . 1 24 24 ASP H H 1 8.581 0.003 . 1 . . . . . 24 ASP H . 52911 1 104 . 1 . 1 24 24 ASP C C 13 179.478 0.001 . 1 . . . . . 24 ASP C . 52911 1 105 . 1 . 1 24 24 ASP CA C 13 56.953 0.008 . 1 . . . . . 24 ASP CA . 52911 1 106 . 1 . 1 24 24 ASP CB C 13 39.706 0.000 . 1 . . . . . 24 ASP CB . 52911 1 107 . 1 . 1 24 24 ASP N N 15 126.909 0.027 . 1 . . . . . 24 ASP N . 52911 1 108 . 1 . 1 25 25 ASN H H 1 8.852 0.003 . 1 . . . . . 25 ASN H . 52911 1 109 . 1 . 1 25 25 ASN C C 13 175.569 0.006 . 1 . . . . . 25 ASN C . 52911 1 110 . 1 . 1 25 25 ASN CA C 13 55.052 0.004 . 1 . . . . . 25 ASN CA . 52911 1 111 . 1 . 1 25 25 ASN CB C 13 36.992 0.056 . 1 . . . . . 25 ASN CB . 52911 1 112 . 1 . 1 25 25 ASN N N 15 117.790 0.019 . 1 . . . . . 25 ASN N . 52911 1 113 . 1 . 1 26 26 GLN H H 1 7.028 0.002 . 1 . . . . . 26 GLN H . 52911 1 114 . 1 . 1 26 26 GLN C C 13 176.047 0.014 . 1 . . . . . 26 GLN C . 52911 1 115 . 1 . 1 26 26 GLN CA C 13 55.925 0.001 . 1 . . . . . 26 GLN CA . 52911 1 116 . 1 . 1 26 26 GLN CB C 13 29.538 0.043 . 1 . . . . . 26 GLN CB . 52911 1 117 . 1 . 1 26 26 GLN N N 15 115.137 0.021 . 1 . . . . . 26 GLN N . 52911 1 118 . 1 . 1 27 27 PHE H H 1 7.676 0.001 . 1 . . . . . 27 PHE H . 52911 1 119 . 1 . 1 27 27 PHE C C 13 172.984 0.005 . 1 . . . . . 27 PHE C . 52911 1 120 . 1 . 1 27 27 PHE CA C 13 59.980 0.012 . 1 . . . . . 27 PHE CA . 52911 1 121 . 1 . 1 27 27 PHE CB C 13 42.303 0.040 . 1 . . . . . 27 PHE CB . 52911 1 122 . 1 . 1 27 27 PHE N N 15 121.132 0.033 . 1 . . . . . 27 PHE N . 52911 1 123 . 1 . 1 28 28 HIS H H 1 7.082 0.001 . 1 . . . . . 28 HIS H . 52911 1 124 . 1 . 1 28 28 HIS C C 13 174.226 0.009 . 1 . . . . . 28 HIS C . 52911 1 125 . 1 . 1 28 28 HIS CA C 13 56.381 0.024 . 1 . . . . . 28 HIS CA . 52911 1 126 . 1 . 1 28 28 HIS CB C 13 32.664 0.070 . 1 . . . . . 28 HIS CB . 52911 1 127 . 1 . 1 28 28 HIS N N 15 111.751 0.034 . 1 . . . . . 28 HIS N . 52911 1 128 . 1 . 1 29 29 GLY H H 1 9.527 0.005 . 1 . . . . . 29 GLY H . 52911 1 129 . 1 . 1 29 29 GLY C C 13 172.010 0.027 . 1 . . . . . 29 GLY C . 52911 1 130 . 1 . 1 29 29 GLY CA C 13 43.828 0.016 . 1 . . . . . 29 GLY CA . 52911 1 131 . 1 . 1 29 29 GLY N N 15 112.447 0.032 . 1 . . . . . 29 GLY N . 52911 1 132 . 1 . 1 30 30 LYS H H 1 8.477 0.002 . 1 . . . . . 30 LYS H . 52911 1 133 . 1 . 1 30 30 LYS C C 13 175.804 0.010 . 1 . . . . . 30 LYS C . 52911 1 134 . 1 . 1 30 30 LYS CA C 13 56.384 0.006 . 1 . . . . . 30 LYS CA . 52911 1 135 . 1 . 1 30 30 LYS CB C 13 33.137 0.020 . 1 . . . . . 30 LYS CB . 52911 1 136 . 1 . 1 30 30 LYS N N 15 122.098 0.031 . 1 . . . . . 30 LYS N . 52911 1 137 . 1 . 1 31 31 TRP H H 1 9.078 0.002 . 1 . . . . . 31 TRP H . 52911 1 138 . 1 . 1 31 31 TRP C C 13 174.698 0.004 . 1 . . . . . 31 TRP C . 52911 1 139 . 1 . 1 31 31 TRP CA C 13 55.210 0.008 . 1 . . . . . 31 TRP CA . 52911 1 140 . 1 . 1 31 31 TRP CB C 13 33.112 0.044 . 1 . . . . . 31 TRP CB . 52911 1 141 . 1 . 1 31 31 TRP N N 15 130.042 0.031 . 1 . . . . . 31 TRP N . 52911 1 142 . 1 . 1 32 32 TYR H H 1 9.918 0.011 . 1 . . . . . 32 TYR H . 52911 1 143 . 1 . 1 32 32 TYR CA C 13 58.753 0.000 . 1 . . . . . 32 TYR CA . 52911 1 144 . 1 . 1 32 32 TYR N N 15 120.889 0.051 . 1 . . . . . 32 TYR N . 52911 1 145 . 1 . 1 34 34 VAL C C 13 176.553 0.000 . 1 . . . . . 34 VAL C . 52911 1 146 . 1 . 1 34 34 VAL CA C 13 62.389 0.000 . 1 . . . . . 34 VAL CA . 52911 1 147 . 1 . 1 34 34 VAL CB C 13 32.882 0.000 . 1 . . . . . 34 VAL CB . 52911 1 148 . 1 . 1 35 35 GLY H H 1 8.051 0.004 . 1 . . . . . 35 GLY H . 52911 1 149 . 1 . 1 35 35 GLY C C 13 170.656 0.017 . 1 . . . . . 35 GLY C . 52911 1 150 . 1 . 1 35 35 GLY CA C 13 45.736 0.007 . 1 . . . . . 35 GLY CA . 52911 1 151 . 1 . 1 35 35 GLY N N 15 107.434 0.061 . 1 . . . . . 35 GLY N . 52911 1 152 . 1 . 1 36 36 VAL H H 1 9.220 0.001 . 1 . . . . . 36 VAL H . 52911 1 153 . 1 . 1 36 36 VAL C C 13 171.853 0.005 . 1 . . . . . 36 VAL C . 52911 1 154 . 1 . 1 36 36 VAL CA C 13 61.000 0.015 . 1 . . . . . 36 VAL CA . 52911 1 155 . 1 . 1 36 36 VAL CB C 13 35.144 0.049 . 1 . . . . . 36 VAL CB . 52911 1 156 . 1 . 1 36 36 VAL N N 15 121.746 0.038 . 1 . . . . . 36 VAL N . 52911 1 157 . 1 . 1 37 37 ALA H H 1 9.156 0.002 . 1 . . . . . 37 ALA H . 52911 1 158 . 1 . 1 37 37 ALA C C 13 176.577 0.006 . 1 . . . . . 37 ALA C . 52911 1 159 . 1 . 1 37 37 ALA CA C 13 50.040 0.006 . 1 . . . . . 37 ALA CA . 52911 1 160 . 1 . 1 37 37 ALA CB C 13 24.964 0.117 . 1 . . . . . 37 ALA CB . 52911 1 161 . 1 . 1 37 37 ALA N N 15 127.900 0.037 . 1 . . . . . 37 ALA N . 52911 1 162 . 1 . 1 38 38 GLY H H 1 8.121 0.005 . 1 . . . . . 38 GLY H . 52911 1 163 . 1 . 1 38 38 GLY C C 13 172.634 0.015 . 1 . . . . . 38 GLY C . 52911 1 164 . 1 . 1 38 38 GLY CA C 13 46.292 0.003 . 1 . . . . . 38 GLY CA . 52911 1 165 . 1 . 1 38 38 GLY N N 15 105.856 0.040 . 1 . . . . . 38 GLY N . 52911 1 166 . 1 . 1 39 39 ASN H H 1 7.887 0.009 . 1 . . . . . 39 ASN H . 52911 1 167 . 1 . 1 39 39 ASN C C 13 175.987 0.025 . 1 . . . . . 39 ASN C . 52911 1 168 . 1 . 1 39 39 ASN CA C 13 55.142 0.023 . 1 . . . . . 39 ASN CA . 52911 1 169 . 1 . 1 39 39 ASN CB C 13 37.634 0.027 . 1 . . . . . 39 ASN CB . 52911 1 170 . 1 . 1 39 39 ASN N N 15 117.387 0.041 . 1 . . . . . 39 ASN N . 52911 1 171 . 1 . 1 40 40 GLY H H 1 9.130 0.011 . 1 . . . . . 40 GLY H . 52911 1 172 . 1 . 1 40 40 GLY C C 13 172.938 0.021 . 1 . . . . . 40 GLY C . 52911 1 173 . 1 . 1 40 40 GLY CA C 13 45.062 0.018 . 1 . . . . . 40 GLY CA . 52911 1 174 . 1 . 1 40 40 GLY N N 15 108.594 0.047 . 1 . . . . . 40 GLY N . 52911 1 175 . 1 . 1 41 41 PHE H H 1 6.981 0.001 . 1 . . . . . 41 PHE H . 52911 1 176 . 1 . 1 41 41 PHE C C 13 172.690 0.002 . 1 . . . . . 41 PHE C . 52911 1 177 . 1 . 1 41 41 PHE CA C 13 56.950 0.034 . 1 . . . . . 41 PHE CA . 52911 1 178 . 1 . 1 41 41 PHE CB C 13 40.975 0.039 . 1 . . . . . 41 PHE CB . 52911 1 179 . 1 . 1 41 41 PHE N N 15 118.290 0.023 . 1 . . . . . 41 PHE N . 52911 1 180 . 1 . 1 42 42 LEU H H 1 8.128 0.002 . 1 . . . . . 42 LEU H . 52911 1 181 . 1 . 1 42 42 LEU C C 13 177.109 0.009 . 1 . . . . . 42 LEU C . 52911 1 182 . 1 . 1 42 42 LEU CA C 13 53.255 0.028 . 1 . . . . . 42 LEU CA . 52911 1 183 . 1 . 1 42 42 LEU CB C 13 45.114 0.055 . 1 . . . . . 42 LEU CB . 52911 1 184 . 1 . 1 42 42 LEU N N 15 119.981 0.031 . 1 . . . . . 42 LEU N . 52911 1 185 . 1 . 1 43 43 ARG H H 1 8.580 0.003 . 1 . . . . . 43 ARG H . 52911 1 186 . 1 . 1 43 43 ARG C C 13 175.196 0.000 . 1 . . . . . 43 ARG C . 52911 1 187 . 1 . 1 43 43 ARG CA C 13 58.035 0.000 . 1 . . . . . 43 ARG CA . 52911 1 188 . 1 . 1 43 43 ARG N N 15 123.850 0.023 . 1 . . . . . 43 ARG N . 52911 1 189 . 1 . 1 44 44 GLU C C 13 175.651 0.000 . 1 . . . . . 44 GLU C . 52911 1 190 . 1 . 1 44 44 GLU CA C 13 56.163 0.000 . 1 . . . . . 44 GLU CA . 52911 1 191 . 1 . 1 44 44 GLU CB C 13 29.476 0.000 . 1 . . . . . 44 GLU CB . 52911 1 192 . 1 . 1 45 45 ASP H H 1 8.367 0.002 . 1 . . . . . 45 ASP H . 52911 1 193 . 1 . 1 45 45 ASP C C 13 176.353 0.000 . 1 . . . . . 45 ASP C . 52911 1 194 . 1 . 1 45 45 ASP CA C 13 54.406 0.000 . 1 . . . . . 45 ASP CA . 52911 1 195 . 1 . 1 45 45 ASP CB C 13 41.292 0.000 . 1 . . . . . 45 ASP CB . 52911 1 196 . 1 . 1 45 45 ASP N N 15 121.626 0.075 . 1 . . . . . 45 ASP N . 52911 1 197 . 1 . 1 46 46 LYS C C 13 176.083 0.000 . 1 . . . . . 46 LYS C . 52911 1 198 . 1 . 1 46 46 LYS CA C 13 57.286 0.000 . 1 . . . . . 46 LYS CA . 52911 1 199 . 1 . 1 46 46 LYS CB C 13 32.476 0.000 . 1 . . . . . 46 LYS CB . 52911 1 200 . 1 . 1 47 47 ASP H H 1 8.163 0.002 . 1 . . . . . 47 ASP H . 52911 1 201 . 1 . 1 47 47 ASP C C 13 172.776 0.000 . 1 . . . . . 47 ASP C . 52911 1 202 . 1 . 1 47 47 ASP CA C 13 51.756 0.000 . 1 . . . . . 47 ASP CA . 52911 1 203 . 1 . 1 47 47 ASP CB C 13 41.047 0.000 . 1 . . . . . 47 ASP CB . 52911 1 204 . 1 . 1 47 47 ASP N N 15 120.571 0.045 . 1 . . . . . 47 ASP N . 52911 1 205 . 1 . 1 48 48 PRO CA C 13 62.531 0.000 . 1 . . . . . 48 PRO CA . 52911 1 206 . 1 . 1 49 49 ILE H H 1 8.160 0.003 . 1 . . . . . 49 ILE H . 52911 1 207 . 1 . 1 49 49 ILE C C 13 175.396 0.000 . 1 . . . . . 49 ILE C . 52911 1 208 . 1 . 1 49 49 ILE CA C 13 60.802 0.036 . 1 . . . . . 49 ILE CA . 52911 1 209 . 1 . 1 49 49 ILE CB C 13 38.146 0.000 . 1 . . . . . 49 ILE CB . 52911 1 210 . 1 . 1 49 49 ILE N N 15 119.982 0.035 . 1 . . . . . 49 ILE N . 52911 1 211 . 1 . 1 50 50 LYS H H 1 8.265 0.003 . 1 . . . . . 50 LYS H . 52911 1 212 . 1 . 1 50 50 LYS C C 13 175.662 0.043 . 1 . . . . . 50 LYS C . 52911 1 213 . 1 . 1 50 50 LYS CA C 13 54.613 0.059 . 1 . . . . . 50 LYS CA . 52911 1 214 . 1 . 1 50 50 LYS CB C 13 33.945 0.018 . 1 . . . . . 50 LYS CB . 52911 1 215 . 1 . 1 50 50 LYS N N 15 125.058 0.056 . 1 . . . . . 50 LYS N . 52911 1 216 . 1 . 1 51 51 MET H H 1 8.392 0.008 . 1 . . . . . 51 MET H . 52911 1 217 . 1 . 1 51 51 MET C C 13 175.659 0.000 . 1 . . . . . 51 MET C . 52911 1 218 . 1 . 1 51 51 MET CA C 13 56.299 0.000 . 1 . . . . . 51 MET CA . 52911 1 219 . 1 . 1 51 51 MET CB C 13 33.135 0.000 . 1 . . . . . 51 MET CB . 52911 1 220 . 1 . 1 51 51 MET N N 15 119.398 0.054 . 1 . . . . . 51 MET N . 52911 1 221 . 1 . 1 53 53 ALA H H 1 7.626 0.006 . 1 . . . . . 53 ALA H . 52911 1 222 . 1 . 1 53 53 ALA C C 13 177.348 0.091 . 1 . . . . . 53 ALA C . 52911 1 223 . 1 . 1 53 53 ALA CA C 13 51.152 0.103 . 1 . . . . . 53 ALA CA . 52911 1 224 . 1 . 1 53 53 ALA CB C 13 15.079 0.000 . 1 . . . . . 53 ALA CB . 52911 1 225 . 1 . 1 53 53 ALA N N 15 129.620 0.109 . 1 . . . . . 53 ALA N . 52911 1 226 . 1 . 1 54 54 THR H H 1 9.165 0.008 . 1 . . . . . 54 THR H . 52911 1 227 . 1 . 1 54 54 THR C C 13 172.574 0.008 . 1 . . . . . 54 THR C . 52911 1 228 . 1 . 1 54 54 THR CA C 13 61.487 0.070 . 1 . . . . . 54 THR CA . 52911 1 229 . 1 . 1 54 54 THR CB C 13 71.339 0.003 . 1 . . . . . 54 THR CB . 52911 1 230 . 1 . 1 54 54 THR N N 15 118.620 0.086 . 1 . . . . . 54 THR N . 52911 1 231 . 1 . 1 55 55 ILE H H 1 8.719 0.005 . 1 . . . . . 55 ILE H . 52911 1 232 . 1 . 1 55 55 ILE C C 13 175.051 0.011 . 1 . . . . . 55 ILE C . 52911 1 233 . 1 . 1 55 55 ILE CA C 13 60.059 0.014 . 1 . . . . . 55 ILE CA . 52911 1 234 . 1 . 1 55 55 ILE CB C 13 39.963 0.072 . 1 . . . . . 55 ILE CB . 52911 1 235 . 1 . 1 55 55 ILE N N 15 125.331 0.031 . 1 . . . . . 55 ILE N . 52911 1 236 . 1 . 1 56 56 TYR H H 1 9.094 0.002 . 1 . . . . . 56 TYR H . 52911 1 237 . 1 . 1 56 56 TYR C C 13 175.456 0.025 . 1 . . . . . 56 TYR C . 52911 1 238 . 1 . 1 56 56 TYR CA C 13 57.621 0.000 . 1 . . . . . 56 TYR CA . 52911 1 239 . 1 . 1 56 56 TYR CB C 13 39.848 0.098 . 1 . . . . . 56 TYR CB . 52911 1 240 . 1 . 1 56 56 TYR N N 15 127.559 0.025 . 1 . . . . . 56 TYR N . 52911 1 241 . 1 . 1 57 57 GLU H H 1 9.260 0.003 . 1 . . . . . 57 GLU H . 52911 1 242 . 1 . 1 57 57 GLU C C 13 174.561 0.006 . 1 . . . . . 57 GLU C . 52911 1 243 . 1 . 1 57 57 GLU CA C 13 54.988 0.011 . 1 . . . . . 57 GLU CA . 52911 1 244 . 1 . 1 57 57 GLU CB C 13 31.521 0.055 . 1 . . . . . 57 GLU CB . 52911 1 245 . 1 . 1 57 57 GLU N N 15 126.808 0.032 . 1 . . . . . 57 GLU N . 52911 1 246 . 1 . 1 58 58 LEU H H 1 9.744 0.002 . 1 . . . . . 58 LEU H . 52911 1 247 . 1 . 1 58 58 LEU C C 13 176.347 0.016 . 1 . . . . . 58 LEU C . 52911 1 248 . 1 . 1 58 58 LEU CA C 13 55.800 0.004 . 1 . . . . . 58 LEU CA . 52911 1 249 . 1 . 1 58 58 LEU CB C 13 42.853 0.120 . 1 . . . . . 58 LEU CB . 52911 1 250 . 1 . 1 58 58 LEU N N 15 131.791 0.039 . 1 . . . . . 58 LEU N . 52911 1 251 . 1 . 1 59 59 LYS H H 1 8.925 0.001 . 1 . . . . . 59 LYS H . 52911 1 252 . 1 . 1 59 59 LYS C C 13 178.711 0.009 . 1 . . . . . 59 LYS C . 52911 1 253 . 1 . 1 59 59 LYS CA C 13 54.758 0.001 . 1 . . . . . 59 LYS CA . 52911 1 254 . 1 . 1 59 59 LYS CB C 13 32.979 0.035 . 1 . . . . . 59 LYS CB . 52911 1 255 . 1 . 1 59 59 LYS N N 15 127.177 0.028 . 1 . . . . . 59 LYS N . 52911 1 256 . 1 . 1 60 60 GLU H H 1 8.940 0.003 . 1 . . . . . 60 GLU H . 52911 1 257 . 1 . 1 60 60 GLU C C 13 176.451 0.001 . 1 . . . . . 60 GLU C . 52911 1 258 . 1 . 1 60 60 GLU CA C 13 59.055 0.013 . 1 . . . . . 60 GLU CA . 52911 1 259 . 1 . 1 60 60 GLU CB C 13 29.311 0.015 . 1 . . . . . 60 GLU CB . 52911 1 260 . 1 . 1 60 60 GLU N N 15 121.362 0.029 . 1 . . . . . 60 GLU N . 52911 1 261 . 1 . 1 61 61 ASP H H 1 7.694 0.001 . 1 . . . . . 61 ASP H . 52911 1 262 . 1 . 1 61 61 ASP C C 13 176.605 0.025 . 1 . . . . . 61 ASP C . 52911 1 263 . 1 . 1 61 61 ASP CA C 13 53.404 0.005 . 1 . . . . . 61 ASP CA . 52911 1 264 . 1 . 1 61 61 ASP CB C 13 39.678 0.013 . 1 . . . . . 61 ASP CB . 52911 1 265 . 1 . 1 61 61 ASP N N 15 116.700 0.030 . 1 . . . . . 61 ASP N . 52911 1 266 . 1 . 1 62 62 LYS H H 1 7.918 0.002 . 1 . . . . . 62 LYS H . 52911 1 267 . 1 . 1 62 62 LYS C C 13 174.660 0.001 . 1 . . . . . 62 LYS C . 52911 1 268 . 1 . 1 62 62 LYS CA C 13 58.925 0.007 . 1 . . . . . 62 LYS CA . 52911 1 269 . 1 . 1 62 62 LYS CB C 13 28.866 0.020 . 1 . . . . . 62 LYS CB . 52911 1 270 . 1 . 1 62 62 LYS N N 15 111.761 0.040 . 1 . . . . . 62 LYS N . 52911 1 271 . 1 . 1 63 63 SER H H 1 7.949 0.002 . 1 . . . . . 63 SER H . 52911 1 272 . 1 . 1 63 63 SER C C 13 172.953 0.008 . 1 . . . . . 63 SER C . 52911 1 273 . 1 . 1 63 63 SER CA C 13 58.263 0.015 . 1 . . . . . 63 SER CA . 52911 1 274 . 1 . 1 63 63 SER CB C 13 65.507 0.016 . 1 . . . . . 63 SER CB . 52911 1 275 . 1 . 1 63 63 SER N N 15 112.394 0.027 . 1 . . . . . 63 SER N . 52911 1 276 . 1 . 1 64 64 TYR H H 1 8.859 0.003 . 1 . . . . . 64 TYR H . 52911 1 277 . 1 . 1 64 64 TYR C C 13 177.780 0.009 . 1 . . . . . 64 TYR C . 52911 1 278 . 1 . 1 64 64 TYR CA C 13 55.984 0.006 . 1 . . . . . 64 TYR CA . 52911 1 279 . 1 . 1 64 64 TYR CB C 13 41.332 0.061 . 1 . . . . . 64 TYR CB . 52911 1 280 . 1 . 1 64 64 TYR N N 15 113.104 0.044 . 1 . . . . . 64 TYR N . 52911 1 281 . 1 . 1 65 65 ASN H H 1 9.336 0.004 . 1 . . . . . 65 ASN H . 52911 1 282 . 1 . 1 65 65 ASN C C 13 174.861 0.016 . 1 . . . . . 65 ASN C . 52911 1 283 . 1 . 1 65 65 ASN CA C 13 53.097 0.004 . 1 . . . . . 65 ASN CA . 52911 1 284 . 1 . 1 65 65 ASN CB C 13 40.152 0.089 . 1 . . . . . 65 ASN CB . 52911 1 285 . 1 . 1 65 65 ASN N N 15 119.928 0.042 . 1 . . . . . 65 ASN N . 52911 1 286 . 1 . 1 66 66 VAL H H 1 9.422 0.002 . 1 . . . . . 66 VAL H . 52911 1 287 . 1 . 1 66 66 VAL C C 13 174.462 0.012 . 1 . . . . . 66 VAL C . 52911 1 288 . 1 . 1 66 66 VAL CA C 13 59.640 0.011 . 1 . . . . . 66 VAL CA . 52911 1 289 . 1 . 1 66 66 VAL CB C 13 34.260 0.008 . 1 . . . . . 66 VAL CB . 52911 1 290 . 1 . 1 66 66 VAL N N 15 126.821 0.019 . 1 . . . . . 66 VAL N . 52911 1 291 . 1 . 1 67 67 THR H H 1 8.806 0.002 . 1 . . . . . 67 THR H . 52911 1 292 . 1 . 1 67 67 THR C C 13 173.867 0.028 . 1 . . . . . 67 THR C . 52911 1 293 . 1 . 1 67 67 THR CA C 13 61.833 0.002 . 1 . . . . . 67 THR CA . 52911 1 294 . 1 . 1 67 67 THR CB C 13 70.077 0.057 . 1 . . . . . 67 THR CB . 52911 1 295 . 1 . 1 67 67 THR N N 15 124.968 0.030 . 1 . . . . . 67 THR N . 52911 1 296 . 1 . 1 68 68 PHE H H 1 9.122 0.001 . 1 . . . . . 68 PHE H . 52911 1 297 . 1 . 1 68 68 PHE C C 13 172.314 0.008 . 1 . . . . . 68 PHE C . 52911 1 298 . 1 . 1 68 68 PHE CA C 13 54.836 0.017 . 1 . . . . . 68 PHE CA . 52911 1 299 . 1 . 1 68 68 PHE CB C 13 41.995 0.131 . 1 . . . . . 68 PHE CB . 52911 1 300 . 1 . 1 68 68 PHE N N 15 123.429 0.040 . 1 . . . . . 68 PHE N . 52911 1 301 . 1 . 1 69 69 MET H H 1 8.651 0.006 . 1 . . . . . 69 MET H . 52911 1 302 . 1 . 1 69 69 MET C C 13 175.392 0.015 . 1 . . . . . 69 MET C . 52911 1 303 . 1 . 1 69 69 MET CA C 13 54.815 0.017 . 1 . . . . . 69 MET CA . 52911 1 304 . 1 . 1 69 69 MET CB C 13 34.506 0.055 . 1 . . . . . 69 MET CB . 52911 1 305 . 1 . 1 69 69 MET N N 15 121.801 0.032 . 1 . . . . . 69 MET N . 52911 1 306 . 1 . 1 70 70 LYS H H 1 8.295 0.002 . 1 . . . . . 70 LYS H . 52911 1 307 . 1 . 1 70 70 LYS CA C 13 57.516 0.000 . 1 . . . . . 70 LYS CA . 52911 1 308 . 1 . 1 70 70 LYS CB C 13 33.208 0.000 . 1 . . . . . 70 LYS CB . 52911 1 309 . 1 . 1 70 70 LYS N N 15 125.921 0.070 . 1 . . . . . 70 LYS N . 52911 1 310 . 1 . 1 74 74 LYS C C 13 176.791 0.000 . 1 . . . . . 74 LYS C . 52911 1 311 . 1 . 1 74 74 LYS CA C 13 56.552 0.000 . 1 . . . . . 74 LYS CA . 52911 1 312 . 1 . 1 74 74 LYS CB C 13 33.851 0.000 . 1 . . . . . 74 LYS CB . 52911 1 313 . 1 . 1 75 75 LYS H H 1 7.781 0.001 . 1 . . . . . 75 LYS H . 52911 1 314 . 1 . 1 75 75 LYS C C 13 176.225 0.000 . 1 . . . . . 75 LYS C . 52911 1 315 . 1 . 1 75 75 LYS CA C 13 54.438 0.012 . 1 . . . . . 75 LYS CA . 52911 1 316 . 1 . 1 75 75 LYS CB C 13 35.088 0.000 . 1 . . . . . 75 LYS CB . 52911 1 317 . 1 . 1 75 75 LYS N N 15 117.907 0.020 . 1 . . . . . 75 LYS N . 52911 1 318 . 1 . 1 77 77 GLN C C 13 173.796 0.000 . 1 . . . . . 77 GLN C . 52911 1 319 . 1 . 1 77 77 GLN CA C 13 54.888 0.000 . 1 . . . . . 77 GLN CA . 52911 1 320 . 1 . 1 77 77 GLN CB C 13 31.066 0.000 . 1 . . . . . 77 GLN CB . 52911 1 321 . 1 . 1 78 78 TYR H H 1 8.904 0.001 . 1 . . . . . 78 TYR H . 52911 1 322 . 1 . 1 78 78 TYR C C 13 175.401 0.007 . 1 . . . . . 78 TYR C . 52911 1 323 . 1 . 1 78 78 TYR CA C 13 57.721 0.012 . 1 . . . . . 78 TYR CA . 52911 1 324 . 1 . 1 78 78 TYR CB C 13 41.186 0.002 . 1 . . . . . 78 TYR CB . 52911 1 325 . 1 . 1 78 78 TYR N N 15 124.707 0.044 . 1 . . . . . 78 TYR N . 52911 1 326 . 1 . 1 79 79 MET H H 1 8.853 0.003 . 1 . . . . . 79 MET H . 52911 1 327 . 1 . 1 79 79 MET C C 13 172.781 0.002 . 1 . . . . . 79 MET C . 52911 1 328 . 1 . 1 79 79 MET CA C 13 54.053 0.002 . 1 . . . . . 79 MET CA . 52911 1 329 . 1 . 1 79 79 MET CB C 13 35.990 0.067 . 1 . . . . . 79 MET CB . 52911 1 330 . 1 . 1 79 79 MET N N 15 119.459 0.031 . 1 . . . . . 79 MET N . 52911 1 331 . 1 . 1 80 80 THR H H 1 8.130 0.002 . 1 . . . . . 80 THR H . 52911 1 332 . 1 . 1 80 80 THR C C 13 173.632 0.002 . 1 . . . . . 80 THR C . 52911 1 333 . 1 . 1 80 80 THR CA C 13 60.619 0.068 . 1 . . . . . 80 THR CA . 52911 1 334 . 1 . 1 80 80 THR CB C 13 71.470 0.033 . 1 . . . . . 80 THR CB . 52911 1 335 . 1 . 1 80 80 THR N N 15 115.295 0.057 . 1 . . . . . 80 THR N . 52911 1 336 . 1 . 1 81 81 ASP H H 1 9.305 0.001 . 1 . . . . . 81 ASP H . 52911 1 337 . 1 . 1 81 81 ASP C C 13 174.493 0.008 . 1 . . . . . 81 ASP C . 52911 1 338 . 1 . 1 81 81 ASP CA C 13 52.322 0.002 . 1 . . . . . 81 ASP CA . 52911 1 339 . 1 . 1 81 81 ASP CB C 13 45.820 0.035 . 1 . . . . . 81 ASP CB . 52911 1 340 . 1 . 1 81 81 ASP N N 15 126.094 0.052 . 1 . . . . . 81 ASP N . 52911 1 341 . 1 . 1 82 82 THR H H 1 9.924 0.003 . 1 . . . . . 82 THR H . 52911 1 342 . 1 . 1 82 82 THR C C 13 172.962 0.008 . 1 . . . . . 82 THR C . 52911 1 343 . 1 . 1 82 82 THR CA C 13 61.726 0.002 . 1 . . . . . 82 THR CA . 52911 1 344 . 1 . 1 82 82 THR CB C 13 70.932 0.045 . 1 . . . . . 82 THR CB . 52911 1 345 . 1 . 1 82 82 THR N N 15 116.685 0.011 . 1 . . . . . 82 THR N . 52911 1 346 . 1 . 1 83 83 LEU H H 1 9.272 0.003 . 1 . . . . . 83 LEU H . 52911 1 347 . 1 . 1 83 83 LEU C C 13 175.477 0.018 . 1 . . . . . 83 LEU C . 52911 1 348 . 1 . 1 83 83 LEU CA C 13 53.450 0.002 . 1 . . . . . 83 LEU CA . 52911 1 349 . 1 . 1 83 83 LEU CB C 13 44.934 0.019 . 1 . . . . . 83 LEU CB . 52911 1 350 . 1 . 1 83 83 LEU N N 15 129.193 0.050 . 1 . . . . . 83 LEU N . 52911 1 351 . 1 . 1 84 84 VAL H H 1 9.194 0.003 . 1 . . . . . 84 VAL H . 52911 1 352 . 1 . 1 84 84 VAL C C 13 175.229 0.000 . 1 . . . . . 84 VAL C . 52911 1 353 . 1 . 1 84 84 VAL CA C 13 59.885 0.000 . 1 . . . . . 84 VAL CA . 52911 1 354 . 1 . 1 84 84 VAL CB C 13 34.252 0.000 . 1 . . . . . 84 VAL CB . 52911 1 355 . 1 . 1 84 84 VAL N N 15 126.562 0.029 . 1 . . . . . 84 VAL N . 52911 1 356 . 1 . 1 85 85 PRO C C 13 177.075 0.000 . 1 . . . . . 85 PRO C . 52911 1 357 . 1 . 1 85 85 PRO CA C 13 64.643 0.000 . 1 . . . . . 85 PRO CA . 52911 1 358 . 1 . 1 85 85 PRO CB C 13 32.946 0.000 . 1 . . . . . 85 PRO CB . 52911 1 359 . 1 . 1 86 86 GLY H H 1 8.386 0.001 . 1 . . . . . 86 GLY H . 52911 1 360 . 1 . 1 86 86 GLY C C 13 174.786 0.018 . 1 . . . . . 86 GLY C . 52911 1 361 . 1 . 1 86 86 GLY CA C 13 43.662 0.022 . 1 . . . . . 86 GLY CA . 52911 1 362 . 1 . 1 86 86 GLY N N 15 112.181 0.035 . 1 . . . . . 86 GLY N . 52911 1 363 . 1 . 1 87 87 SER H H 1 8.930 0.003 . 1 . . . . . 87 SER H . 52911 1 364 . 1 . 1 87 87 SER C C 13 173.790 0.001 . 1 . . . . . 87 SER C . 52911 1 365 . 1 . 1 87 87 SER CA C 13 60.798 0.067 . 1 . . . . . 87 SER CA . 52911 1 366 . 1 . 1 87 87 SER CB C 13 63.790 0.068 . 1 . . . . . 87 SER CB . 52911 1 367 . 1 . 1 87 87 SER N N 15 118.236 0.046 . 1 . . . . . 87 SER N . 52911 1 368 . 1 . 1 88 88 GLN H H 1 7.413 0.001 . 1 . . . . . 88 GLN H . 52911 1 369 . 1 . 1 88 88 GLN C C 13 172.352 0.000 . 1 . . . . . 88 GLN C . 52911 1 370 . 1 . 1 88 88 GLN CA C 13 52.566 0.000 . 1 . . . . . 88 GLN CA . 52911 1 371 . 1 . 1 88 88 GLN CB C 13 30.868 0.000 . 1 . . . . . 88 GLN CB . 52911 1 372 . 1 . 1 88 88 GLN N N 15 118.323 0.032 . 1 . . . . . 88 GLN N . 52911 1 373 . 1 . 1 89 89 PRO C C 13 177.063 0.000 . 1 . . . . . 89 PRO C . 52911 1 374 . 1 . 1 89 89 PRO CA C 13 63.459 0.000 . 1 . . . . . 89 PRO CA . 52911 1 375 . 1 . 1 89 89 PRO CB C 13 32.002 0.000 . 1 . . . . . 89 PRO CB . 52911 1 376 . 1 . 1 90 90 GLY H H 1 8.063 0.002 . 1 . . . . . 90 GLY H . 52911 1 377 . 1 . 1 90 90 GLY C C 13 170.664 0.049 . 1 . . . . . 90 GLY C . 52911 1 378 . 1 . 1 90 90 GLY CA C 13 44.364 0.006 . 1 . . . . . 90 GLY CA . 52911 1 379 . 1 . 1 90 90 GLY N N 15 112.715 0.029 . 1 . . . . . 90 GLY N . 52911 1 380 . 1 . 1 91 91 GLU H H 1 7.529 0.001 . 1 . . . . . 91 GLU H . 52911 1 381 . 1 . 1 91 91 GLU C C 13 175.915 0.007 . 1 . . . . . 91 GLU C . 52911 1 382 . 1 . 1 91 91 GLU CA C 13 54.151 0.004 . 1 . . . . . 91 GLU CA . 52911 1 383 . 1 . 1 91 91 GLU CB C 13 33.413 0.014 . 1 . . . . . 91 GLU CB . 52911 1 384 . 1 . 1 91 91 GLU N N 15 120.211 0.037 . 1 . . . . . 91 GLU N . 52911 1 385 . 1 . 1 92 92 PHE H H 1 9.460 0.002 . 1 . . . . . 92 PHE H . 52911 1 386 . 1 . 1 92 92 PHE C C 13 175.058 0.002 . 1 . . . . . 92 PHE C . 52911 1 387 . 1 . 1 92 92 PHE CA C 13 56.197 0.005 . 1 . . . . . 92 PHE CA . 52911 1 388 . 1 . 1 92 92 PHE CB C 13 46.650 0.076 . 1 . . . . . 92 PHE CB . 52911 1 389 . 1 . 1 92 92 PHE N N 15 123.080 0.046 . 1 . . . . . 92 PHE N . 52911 1 390 . 1 . 1 93 93 THR H H 1 9.122 0.002 . 1 . . . . . 93 THR H . 52911 1 391 . 1 . 1 93 93 THR C C 13 173.673 0.018 . 1 . . . . . 93 THR C . 52911 1 392 . 1 . 1 93 93 THR CA C 13 61.833 0.012 . 1 . . . . . 93 THR CA . 52911 1 393 . 1 . 1 93 93 THR CB C 13 70.965 0.029 . 1 . . . . . 93 THR CB . 52911 1 394 . 1 . 1 93 93 THR N N 15 113.928 0.039 . 1 . . . . . 93 THR N . 52911 1 395 . 1 . 1 94 94 LEU H H 1 9.744 0.008 . 1 . . . . . 94 LEU H . 52911 1 396 . 1 . 1 94 94 LEU C C 13 175.894 0.101 . 1 . . . . . 94 LEU C . 52911 1 397 . 1 . 1 94 94 LEU CA C 13 54.070 0.000 . 1 . . . . . 94 LEU CA . 52911 1 398 . 1 . 1 94 94 LEU CB C 13 44.661 0.145 . 1 . . . . . 94 LEU CB . 52911 1 399 . 1 . 1 94 94 LEU N N 15 129.281 0.072 . 1 . . . . . 94 LEU N . 52911 1 400 . 1 . 1 95 95 GLY H H 1 8.723 0.002 . 1 . . . . . 95 GLY H . 52911 1 401 . 1 . 1 95 95 GLY C C 13 173.700 0.014 . 1 . . . . . 95 GLY C . 52911 1 402 . 1 . 1 95 95 GLY CA C 13 44.992 0.004 . 1 . . . . . 95 GLY CA . 52911 1 403 . 1 . 1 95 95 GLY N N 15 114.618 0.047 . 1 . . . . . 95 GLY N . 52911 1 404 . 1 . 1 96 96 ASN H H 1 8.712 0.002 . 1 . . . . . 96 ASN H . 52911 1 405 . 1 . 1 96 96 ASN C C 13 175.521 0.000 . 1 . . . . . 96 ASN C . 52911 1 406 . 1 . 1 96 96 ASN CA C 13 53.016 0.032 . 1 . . . . . 96 ASN CA . 52911 1 407 . 1 . 1 96 96 ASN CB C 13 39.819 0.037 . 1 . . . . . 96 ASN CB . 52911 1 408 . 1 . 1 96 96 ASN N N 15 119.143 0.046 . 1 . . . . . 96 ASN N . 52911 1 409 . 1 . 1 97 97 ILE H H 1 8.334 0.009 . 1 . . . . . 97 ILE H . 52911 1 410 . 1 . 1 97 97 ILE C C 13 176.058 0.000 . 1 . . . . . 97 ILE C . 52911 1 411 . 1 . 1 97 97 ILE CA C 13 62.477 0.028 . 1 . . . . . 97 ILE CA . 52911 1 412 . 1 . 1 97 97 ILE CB C 13 37.893 0.000 . 1 . . . . . 97 ILE CB . 52911 1 413 . 1 . 1 97 97 ILE N N 15 120.597 0.056 . 1 . . . . . 97 ILE N . 52911 1 414 . 1 . 1 98 98 LYS H H 1 8.030 0.002 . 1 . . . . . 98 LYS H . 52911 1 415 . 1 . 1 98 98 LYS C C 13 176.054 0.000 . 1 . . . . . 98 LYS C . 52911 1 416 . 1 . 1 98 98 LYS CA C 13 55.712 0.001 . 1 . . . . . 98 LYS CA . 52911 1 417 . 1 . 1 98 98 LYS CB C 13 33.320 0.019 . 1 . . . . . 98 LYS CB . 52911 1 418 . 1 . 1 98 98 LYS N N 15 123.048 0.071 . 1 . . . . . 98 LYS N . 52911 1 419 . 1 . 1 99 99 SER H H 1 8.257 0.002 . 1 . . . . . 99 SER H . 52911 1 420 . 1 . 1 99 99 SER C C 13 174.035 0.021 . 1 . . . . . 99 SER C . 52911 1 421 . 1 . 1 99 99 SER CA C 13 58.348 0.012 . 1 . . . . . 99 SER CA . 52911 1 422 . 1 . 1 99 99 SER CB C 13 63.288 0.021 . 1 . . . . . 99 SER CB . 52911 1 423 . 1 . 1 99 99 SER N N 15 116.514 0.081 . 1 . . . . . 99 SER N . 52911 1 424 . 1 . 1 100 100 GLU H H 1 7.978 0.002 . 1 . . . . . 100 GLU H . 52911 1 425 . 1 . 1 100 100 GLU CA C 13 54.336 0.000 . 1 . . . . . 100 GLU CA . 52911 1 426 . 1 . 1 100 100 GLU CB C 13 30.471 0.000 . 1 . . . . . 100 GLU CB . 52911 1 427 . 1 . 1 100 100 GLU N N 15 123.296 0.040 . 1 . . . . . 100 GLU N . 52911 1 428 . 1 . 1 101 101 PRO C C 13 177.803 0.000 . 1 . . . . . 101 PRO C . 52911 1 429 . 1 . 1 101 101 PRO CA C 13 64.071 0.000 . 1 . . . . . 101 PRO CA . 52911 1 430 . 1 . 1 101 101 PRO CB C 13 31.791 0.000 . 1 . . . . . 101 PRO CB . 52911 1 431 . 1 . 1 102 102 GLY H H 1 8.721 0.002 . 1 . . . . . 102 GLY H . 52911 1 432 . 1 . 1 102 102 GLY C C 13 173.942 0.004 . 1 . . . . . 102 GLY C . 52911 1 433 . 1 . 1 102 102 GLY CA C 13 45.446 0.016 . 1 . . . . . 102 GLY CA . 52911 1 434 . 1 . 1 102 102 GLY N N 15 110.549 0.043 . 1 . . . . . 102 GLY N . 52911 1 435 . 1 . 1 103 103 TYR H H 1 7.878 0.003 . 1 . . . . . 103 TYR H . 52911 1 436 . 1 . 1 103 103 TYR C C 13 175.238 0.003 . 1 . . . . . 103 TYR C . 52911 1 437 . 1 . 1 103 103 TYR CA C 13 58.028 0.003 . 1 . . . . . 103 TYR CA . 52911 1 438 . 1 . 1 103 103 TYR CB C 13 39.696 0.048 . 1 . . . . . 103 TYR CB . 52911 1 439 . 1 . 1 103 103 TYR N N 15 121.314 0.030 . 1 . . . . . 103 TYR N . 52911 1 440 . 1 . 1 104 104 THR H H 1 7.979 0.004 . 1 . . . . . 104 THR H . 52911 1 441 . 1 . 1 104 104 THR C C 13 172.229 0.001 . 1 . . . . . 104 THR C . 52911 1 442 . 1 . 1 104 104 THR CA C 13 61.682 0.002 . 1 . . . . . 104 THR CA . 52911 1 443 . 1 . 1 104 104 THR CB C 13 70.677 0.054 . 1 . . . . . 104 THR CB . 52911 1 444 . 1 . 1 104 104 THR N N 15 119.616 0.040 . 1 . . . . . 104 THR N . 52911 1 445 . 1 . 1 105 105 SER H H 1 8.004 0.001 . 1 . . . . . 105 SER H . 52911 1 446 . 1 . 1 105 105 SER C C 13 174.088 0.010 . 1 . . . . . 105 SER C . 52911 1 447 . 1 . 1 105 105 SER CA C 13 57.322 0.009 . 1 . . . . . 105 SER CA . 52911 1 448 . 1 . 1 105 105 SER CB C 13 64.875 0.017 . 1 . . . . . 105 SER CB . 52911 1 449 . 1 . 1 105 105 SER N N 15 119.243 0.011 . 1 . . . . . 105 SER N . 52911 1 450 . 1 . 1 106 106 TRP H H 1 8.846 0.002 . 1 . . . . . 106 TRP H . 52911 1 451 . 1 . 1 106 106 TRP C C 13 175.116 0.003 . 1 . . . . . 106 TRP C . 52911 1 452 . 1 . 1 106 106 TRP CA C 13 56.164 0.011 . 1 . . . . . 106 TRP CA . 52911 1 453 . 1 . 1 106 106 TRP CB C 13 32.058 0.067 . 1 . . . . . 106 TRP CB . 52911 1 454 . 1 . 1 106 106 TRP N N 15 121.891 0.061 . 1 . . . . . 106 TRP N . 52911 1 455 . 1 . 1 107 107 LEU H H 1 9.784 0.002 . 1 . . . . . 107 LEU H . 52911 1 456 . 1 . 1 107 107 LEU C C 13 175.383 0.084 . 1 . . . . . 107 LEU C . 52911 1 457 . 1 . 1 107 107 LEU CA C 13 55.134 0.001 . 1 . . . . . 107 LEU CA . 52911 1 458 . 1 . 1 107 107 LEU CB C 13 43.245 0.008 . 1 . . . . . 107 LEU CB . 52911 1 459 . 1 . 1 107 107 LEU N N 15 127.323 0.044 . 1 . . . . . 107 LEU N . 52911 1 460 . 1 . 1 108 108 VAL H H 1 8.948 0.001 . 1 . . . . . 108 VAL H . 52911 1 461 . 1 . 1 108 108 VAL C C 13 175.466 0.001 . 1 . . . . . 108 VAL C . 52911 1 462 . 1 . 1 108 108 VAL CA C 13 60.405 0.013 . 1 . . . . . 108 VAL CA . 52911 1 463 . 1 . 1 108 108 VAL CB C 13 35.013 0.068 . 1 . . . . . 108 VAL CB . 52911 1 464 . 1 . 1 108 108 VAL N N 15 126.094 0.044 . 1 . . . . . 108 VAL N . 52911 1 465 . 1 . 1 109 109 ARG H H 1 9.306 0.002 . 1 . . . . . 109 ARG H . 52911 1 466 . 1 . 1 109 109 ARG C C 13 174.562 0.012 . 1 . . . . . 109 ARG C . 52911 1 467 . 1 . 1 109 109 ARG CA C 13 54.920 0.074 . 1 . . . . . 109 ARG CA . 52911 1 468 . 1 . 1 109 109 ARG CB C 13 35.254 0.026 . 1 . . . . . 109 ARG CB . 52911 1 469 . 1 . 1 109 109 ARG N N 15 125.432 0.093 . 1 . . . . . 109 ARG N . 52911 1 470 . 1 . 1 110 110 VAL H H 1 8.605 0.002 . 1 . . . . . 110 VAL H . 52911 1 471 . 1 . 1 110 110 VAL C C 13 173.179 0.001 . 1 . . . . . 110 VAL C . 52911 1 472 . 1 . 1 110 110 VAL CA C 13 63.950 0.030 . 1 . . . . . 110 VAL CA . 52911 1 473 . 1 . 1 110 110 VAL CB C 13 29.931 0.112 . 1 . . . . . 110 VAL CB . 52911 1 474 . 1 . 1 110 110 VAL N N 15 126.363 0.039 . 1 . . . . . 110 VAL N . 52911 1 475 . 1 . 1 111 111 VAL H H 1 8.135 0.004 . 1 . . . . . 111 VAL H . 52911 1 476 . 1 . 1 111 111 VAL C C 13 175.624 0.011 . 1 . . . . . 111 VAL C . 52911 1 477 . 1 . 1 111 111 VAL CA C 13 63.592 0.105 . 1 . . . . . 111 VAL CA . 52911 1 478 . 1 . 1 111 111 VAL CB C 13 32.817 0.049 . 1 . . . . . 111 VAL CB . 52911 1 479 . 1 . 1 111 111 VAL N N 15 132.434 0.045 . 1 . . . . . 111 VAL N . 52911 1 480 . 1 . 1 112 112 SER H H 1 7.070 0.003 . 1 . . . . . 112 SER H . 52911 1 481 . 1 . 1 112 112 SER C C 13 174.147 0.009 . 1 . . . . . 112 SER C . 52911 1 482 . 1 . 1 112 112 SER CA C 13 55.857 0.004 . 1 . . . . . 112 SER CA . 52911 1 483 . 1 . 1 112 112 SER CB C 13 64.690 0.001 . 1 . . . . . 112 SER CB . 52911 1 484 . 1 . 1 112 112 SER N N 15 106.631 0.021 . 1 . . . . . 112 SER N . 52911 1 485 . 1 . 1 113 113 THR H H 1 8.544 0.001 . 1 . . . . . 113 THR H . 52911 1 486 . 1 . 1 113 113 THR C C 13 170.041 0.001 . 1 . . . . . 113 THR C . 52911 1 487 . 1 . 1 113 113 THR CA C 13 60.688 0.018 . 1 . . . . . 113 THR CA . 52911 1 488 . 1 . 1 113 113 THR CB C 13 69.161 0.005 . 1 . . . . . 113 THR CB . 52911 1 489 . 1 . 1 113 113 THR N N 15 118.785 0.017 . 1 . . . . . 113 THR N . 52911 1 490 . 1 . 1 114 114 ASN H H 1 7.028 0.002 . 1 . . . . . 114 ASN H . 52911 1 491 . 1 . 1 114 114 ASN C C 13 178.277 0.004 . 1 . . . . . 114 ASN C . 52911 1 492 . 1 . 1 114 114 ASN CA C 13 51.537 0.002 . 1 . . . . . 114 ASN CA . 52911 1 493 . 1 . 1 114 114 ASN CB C 13 38.730 0.030 . 1 . . . . . 114 ASN CB . 52911 1 494 . 1 . 1 114 114 ASN N N 15 121.657 0.030 . 1 . . . . . 114 ASN N . 52911 1 495 . 1 . 1 115 115 TYR H H 1 9.034 0.002 . 1 . . . . . 115 TYR H . 52911 1 496 . 1 . 1 115 115 TYR C C 13 176.300 0.002 . 1 . . . . . 115 TYR C . 52911 1 497 . 1 . 1 115 115 TYR CA C 13 65.879 0.018 . 1 . . . . . 115 TYR CA . 52911 1 498 . 1 . 1 115 115 TYR CB C 13 36.517 0.028 . 1 . . . . . 115 TYR CB . 52911 1 499 . 1 . 1 115 115 TYR N N 15 115.547 0.034 . 1 . . . . . 115 TYR N . 52911 1 500 . 1 . 1 116 116 ASN H H 1 9.492 0.002 . 1 . . . . . 116 ASN H . 52911 1 501 . 1 . 1 116 116 ASN C C 13 175.988 0.005 . 1 . . . . . 116 ASN C . 52911 1 502 . 1 . 1 116 116 ASN CA C 13 52.645 0.007 . 1 . . . . . 116 ASN CA . 52911 1 503 . 1 . 1 116 116 ASN CB C 13 39.068 0.038 . 1 . . . . . 116 ASN CB . 52911 1 504 . 1 . 1 116 116 ASN N N 15 118.316 0.024 . 1 . . . . . 116 ASN N . 52911 1 505 . 1 . 1 117 117 GLN H H 1 7.708 0.001 . 1 . . . . . 117 GLN H . 52911 1 506 . 1 . 1 117 117 GLN C C 13 174.573 0.008 . 1 . . . . . 117 GLN C . 52911 1 507 . 1 . 1 117 117 GLN CA C 13 58.866 0.009 . 1 . . . . . 117 GLN CA . 52911 1 508 . 1 . 1 117 117 GLN CB C 13 32.489 0.006 . 1 . . . . . 117 GLN CB . 52911 1 509 . 1 . 1 117 117 GLN N N 15 117.707 0.026 . 1 . . . . . 117 GLN N . 52911 1 510 . 1 . 1 118 118 HIS H H 1 8.756 0.002 . 1 . . . . . 118 HIS H . 52911 1 511 . 1 . 1 118 118 HIS C C 13 175.164 0.003 . 1 . . . . . 118 HIS C . 52911 1 512 . 1 . 1 118 118 HIS CA C 13 55.211 0.035 . 1 . . . . . 118 HIS CA . 52911 1 513 . 1 . 1 118 118 HIS CB C 13 37.082 0.030 . 1 . . . . . 118 HIS CB . 52911 1 514 . 1 . 1 118 118 HIS N N 15 116.621 0.032 . 1 . . . . . 118 HIS N . 52911 1 515 . 1 . 1 119 119 ALA H H 1 8.827 0.005 . 1 . . . . . 119 ALA H . 52911 1 516 . 1 . 1 119 119 ALA C C 13 174.714 0.026 . 1 . . . . . 119 ALA C . 52911 1 517 . 1 . 1 119 119 ALA CA C 13 51.592 0.005 . 1 . . . . . 119 ALA CA . 52911 1 518 . 1 . 1 119 119 ALA CB C 13 22.438 0.016 . 1 . . . . . 119 ALA CB . 52911 1 519 . 1 . 1 119 119 ALA N N 15 121.499 0.037 . 1 . . . . . 119 ALA N . 52911 1 520 . 1 . 1 120 120 MET H H 1 9.105 0.004 . 1 . . . . . 120 MET H . 52911 1 521 . 1 . 1 120 120 MET C C 13 174.881 0.035 . 1 . . . . . 120 MET C . 52911 1 522 . 1 . 1 120 120 MET CA C 13 55.361 0.004 . 1 . . . . . 120 MET CA . 52911 1 523 . 1 . 1 120 120 MET CB C 13 36.418 0.082 . 1 . . . . . 120 MET CB . 52911 1 524 . 1 . 1 120 120 MET N N 15 120.633 0.012 . 1 . . . . . 120 MET N . 52911 1 525 . 1 . 1 121 121 VAL H H 1 8.717 0.002 . 1 . . . . . 121 VAL H . 52911 1 526 . 1 . 1 121 121 VAL C C 13 172.062 0.013 . 1 . . . . . 121 VAL C . 52911 1 527 . 1 . 1 121 121 VAL CA C 13 61.687 0.021 . 1 . . . . . 121 VAL CA . 52911 1 528 . 1 . 1 121 121 VAL CB C 13 34.805 0.043 . 1 . . . . . 121 VAL CB . 52911 1 529 . 1 . 1 121 121 VAL N N 15 124.820 0.063 . 1 . . . . . 121 VAL N . 52911 1 530 . 1 . 1 122 122 PHE H H 1 9.231 0.002 . 1 . . . . . 122 PHE H . 52911 1 531 . 1 . 1 122 122 PHE C C 13 171.623 0.052 . 1 . . . . . 122 PHE C . 52911 1 532 . 1 . 1 122 122 PHE CA C 13 57.055 0.005 . 1 . . . . . 122 PHE CA . 52911 1 533 . 1 . 1 122 122 PHE CB C 13 43.531 0.037 . 1 . . . . . 122 PHE CB . 52911 1 534 . 1 . 1 122 122 PHE N N 15 129.046 0.037 . 1 . . . . . 122 PHE N . 52911 1 535 . 1 . 1 123 123 PHE H H 1 8.721 0.009 . 1 . . . . . 123 PHE H . 52911 1 536 . 1 . 1 123 123 PHE C C 13 175.034 0.005 . 1 . . . . . 123 PHE C . 52911 1 537 . 1 . 1 123 123 PHE CA C 13 55.732 0.005 . 1 . . . . . 123 PHE CA . 52911 1 538 . 1 . 1 123 123 PHE CB C 13 41.984 0.059 . 1 . . . . . 123 PHE CB . 52911 1 539 . 1 . 1 123 123 PHE N N 15 125.731 0.050 . 1 . . . . . 123 PHE N . 52911 1 540 . 1 . 1 124 124 LYS H H 1 9.288 0.002 . 1 . . . . . 124 LYS H . 52911 1 541 . 1 . 1 124 124 LYS C C 13 174.903 0.014 . 1 . . . . . 124 LYS C . 52911 1 542 . 1 . 1 124 124 LYS CA C 13 55.160 0.012 . 1 . . . . . 124 LYS CA . 52911 1 543 . 1 . 1 124 124 LYS CB C 13 36.966 0.093 . 1 . . . . . 124 LYS CB . 52911 1 544 . 1 . 1 124 124 LYS N N 15 120.476 0.032 . 1 . . . . . 124 LYS N . 52911 1 545 . 1 . 1 125 125 ALA H H 1 8.588 0.004 . 1 . . . . . 125 ALA H . 52911 1 546 . 1 . 1 125 125 ALA C C 13 177.455 0.004 . 1 . . . . . 125 ALA C . 52911 1 547 . 1 . 1 125 125 ALA CA C 13 52.978 0.026 . 1 . . . . . 125 ALA CA . 52911 1 548 . 1 . 1 125 125 ALA CB C 13 19.263 0.030 . 1 . . . . . 125 ALA CB . 52911 1 549 . 1 . 1 125 125 ALA N N 15 131.697 0.042 . 1 . . . . . 125 ALA N . 52911 1 550 . 1 . 1 126 126 VAL H H 1 7.820 0.005 . 1 . . . . . 126 VAL H . 52911 1 551 . 1 . 1 126 126 VAL C C 13 176.296 0.008 . 1 . . . . . 126 VAL C . 52911 1 552 . 1 . 1 126 126 VAL CA C 13 62.992 0.020 . 1 . . . . . 126 VAL CA . 52911 1 553 . 1 . 1 126 126 VAL CB C 13 32.389 0.050 . 1 . . . . . 126 VAL CB . 52911 1 554 . 1 . 1 126 126 VAL N N 15 119.493 0.033 . 1 . . . . . 126 VAL N . 52911 1 555 . 1 . 1 127 127 GLN H H 1 7.921 0.002 . 1 . . . . . 127 GLN H . 52911 1 556 . 1 . 1 127 127 GLN C C 13 175.807 0.002 . 1 . . . . . 127 GLN C . 52911 1 557 . 1 . 1 127 127 GLN CA C 13 56.561 0.007 . 1 . . . . . 127 GLN CA . 52911 1 558 . 1 . 1 127 127 GLN CB C 13 29.398 0.046 . 1 . . . . . 127 GLN CB . 52911 1 559 . 1 . 1 127 127 GLN N N 15 121.242 0.022 . 1 . . . . . 127 GLN N . 52911 1 560 . 1 . 1 128 128 GLN H H 1 8.512 0.002 . 1 . . . . . 128 GLN H . 52911 1 561 . 1 . 1 128 128 GLN C C 13 175.996 0.043 . 1 . . . . . 128 GLN C . 52911 1 562 . 1 . 1 128 128 GLN CA C 13 57.397 0.000 . 1 . . . . . 128 GLN CA . 52911 1 563 . 1 . 1 128 128 GLN CB C 13 28.856 0.157 . 1 . . . . . 128 GLN CB . 52911 1 564 . 1 . 1 128 128 GLN N N 15 121.294 0.035 . 1 . . . . . 128 GLN N . 52911 1 565 . 1 . 1 129 129 ASN H H 1 8.606 0.001 . 1 . . . . . 129 ASN H . 52911 1 566 . 1 . 1 129 129 ASN C C 13 174.454 0.009 . 1 . . . . . 129 ASN C . 52911 1 567 . 1 . 1 129 129 ASN CA C 13 54.126 0.001 . 1 . . . . . 129 ASN CA . 52911 1 568 . 1 . 1 129 129 ASN CB C 13 37.733 0.017 . 1 . . . . . 129 ASN CB . 52911 1 569 . 1 . 1 129 129 ASN N N 15 115.725 0.027 . 1 . . . . . 129 ASN N . 52911 1 570 . 1 . 1 130 130 ARG H H 1 7.660 0.001 . 1 . . . . . 130 ARG H . 52911 1 571 . 1 . 1 130 130 ARG C C 13 175.746 0.010 . 1 . . . . . 130 ARG C . 52911 1 572 . 1 . 1 130 130 ARG CA C 13 55.009 0.007 . 1 . . . . . 130 ARG CA . 52911 1 573 . 1 . 1 130 130 ARG CB C 13 31.397 0.027 . 1 . . . . . 130 ARG CB . 52911 1 574 . 1 . 1 130 130 ARG N N 15 118.768 0.025 . 1 . . . . . 130 ARG N . 52911 1 575 . 1 . 1 131 131 GLU H H 1 8.790 0.001 . 1 . . . . . 131 GLU H . 52911 1 576 . 1 . 1 131 131 GLU C C 13 176.361 0.002 . 1 . . . . . 131 GLU C . 52911 1 577 . 1 . 1 131 131 GLU CA C 13 55.266 0.062 . 1 . . . . . 131 GLU CA . 52911 1 578 . 1 . 1 131 131 GLU CB C 13 30.625 0.172 . 1 . . . . . 131 GLU CB . 52911 1 579 . 1 . 1 131 131 GLU N N 15 121.212 0.018 . 1 . . . . . 131 GLU N . 52911 1 580 . 1 . 1 132 132 ASP H H 1 8.504 0.002 . 1 . . . . . 132 ASP H . 52911 1 581 . 1 . 1 132 132 ASP C C 13 175.398 0.002 . 1 . . . . . 132 ASP C . 52911 1 582 . 1 . 1 132 132 ASP CA C 13 54.981 0.024 . 1 . . . . . 132 ASP CA . 52911 1 583 . 1 . 1 132 132 ASP CB C 13 42.286 0.007 . 1 . . . . . 132 ASP CB . 52911 1 584 . 1 . 1 132 132 ASP N N 15 119.021 0.013 . 1 . . . . . 132 ASP N . 52911 1 585 . 1 . 1 133 133 PHE H H 1 8.905 0.002 . 1 . . . . . 133 PHE H . 52911 1 586 . 1 . 1 133 133 PHE C C 13 173.146 0.008 . 1 . . . . . 133 PHE C . 52911 1 587 . 1 . 1 133 133 PHE CA C 13 56.881 0.017 . 1 . . . . . 133 PHE CA . 52911 1 588 . 1 . 1 133 133 PHE CB C 13 41.759 0.066 . 1 . . . . . 133 PHE CB . 52911 1 589 . 1 . 1 133 133 PHE N N 15 118.753 0.015 . 1 . . . . . 133 PHE N . 52911 1 590 . 1 . 1 134 134 PHE H H 1 9.378 0.003 . 1 . . . . . 134 PHE H . 52911 1 591 . 1 . 1 134 134 PHE C C 13 172.125 0.008 . 1 . . . . . 134 PHE C . 52911 1 592 . 1 . 1 134 134 PHE CA C 13 56.596 0.027 . 1 . . . . . 134 PHE CA . 52911 1 593 . 1 . 1 134 134 PHE CB C 13 41.958 0.007 . 1 . . . . . 134 PHE CB . 52911 1 594 . 1 . 1 134 134 PHE N N 15 117.786 0.024 . 1 . . . . . 134 PHE N . 52911 1 595 . 1 . 1 135 135 ILE H H 1 9.848 0.001 . 1 . . . . . 135 ILE H . 52911 1 596 . 1 . 1 135 135 ILE C C 13 176.068 0.001 . 1 . . . . . 135 ILE C . 52911 1 597 . 1 . 1 135 135 ILE CA C 13 59.254 0.010 . 1 . . . . . 135 ILE CA . 52911 1 598 . 1 . 1 135 135 ILE CB C 13 42.042 0.091 . 1 . . . . . 135 ILE CB . 52911 1 599 . 1 . 1 135 135 ILE N N 15 118.579 0.040 . 1 . . . . . 135 ILE N . 52911 1 600 . 1 . 1 136 136 THR H H 1 9.738 0.003 . 1 . . . . . 136 THR H . 52911 1 601 . 1 . 1 136 136 THR C C 13 172.206 0.000 . 1 . . . . . 136 THR C . 52911 1 602 . 1 . 1 136 136 THR CA C 13 60.069 0.000 . 1 . . . . . 136 THR CA . 52911 1 603 . 1 . 1 136 136 THR CB C 13 71.445 0.000 . 1 . . . . . 136 THR CB . 52911 1 604 . 1 . 1 136 136 THR N N 15 117.263 0.031 . 1 . . . . . 136 THR N . 52911 1 605 . 1 . 1 137 137 LEU C C 13 174.580 0.000 . 1 . . . . . 137 LEU C . 52911 1 606 . 1 . 1 137 137 LEU CA C 13 52.980 0.000 . 1 . . . . . 137 LEU CA . 52911 1 607 . 1 . 1 137 137 LEU CB C 13 41.322 0.000 . 1 . . . . . 137 LEU CB . 52911 1 608 . 1 . 1 138 138 TYR H H 1 9.654 0.003 . 1 . . . . . 138 TYR H . 52911 1 609 . 1 . 1 138 138 TYR C C 13 176.743 0.001 . 1 . . . . . 138 TYR C . 52911 1 610 . 1 . 1 138 138 TYR CA C 13 53.100 0.027 . 1 . . . . . 138 TYR CA . 52911 1 611 . 1 . 1 138 138 TYR CB C 13 41.769 0.097 . 1 . . . . . 138 TYR CB . 52911 1 612 . 1 . 1 138 138 TYR N N 15 126.457 0.028 . 1 . . . . . 138 TYR N . 52911 1 613 . 1 . 1 139 139 GLY H H 1 9.767 0.005 . 1 . . . . . 139 GLY H . 52911 1 614 . 1 . 1 139 139 GLY C C 13 175.405 0.011 . 1 . . . . . 139 GLY C . 52911 1 615 . 1 . 1 139 139 GLY CA C 13 44.156 0.005 . 1 . . . . . 139 GLY CA . 52911 1 616 . 1 . 1 139 139 GLY N N 15 105.627 0.046 . 1 . . . . . 139 GLY N . 52911 1 617 . 1 . 1 140 140 ARG H H 1 8.867 0.003 . 1 . . . . . 140 ARG H . 52911 1 618 . 1 . 1 140 140 ARG C C 13 177.321 0.007 . 1 . . . . . 140 ARG C . 52911 1 619 . 1 . 1 140 140 ARG CA C 13 56.100 0.009 . 1 . . . . . 140 ARG CA . 52911 1 620 . 1 . 1 140 140 ARG CB C 13 30.741 0.045 . 1 . . . . . 140 ARG CB . 52911 1 621 . 1 . 1 140 140 ARG N N 15 121.382 0.043 . 1 . . . . . 140 ARG N . 52911 1 622 . 1 . 1 141 141 THR H H 1 8.038 0.002 . 1 . . . . . 141 THR H . 52911 1 623 . 1 . 1 141 141 THR C C 13 172.579 0.004 . 1 . . . . . 141 THR C . 52911 1 624 . 1 . 1 141 141 THR CA C 13 59.237 0.014 . 1 . . . . . 141 THR CA . 52911 1 625 . 1 . 1 141 141 THR CB C 13 71.047 0.020 . 1 . . . . . 141 THR CB . 52911 1 626 . 1 . 1 141 141 THR N N 15 109.211 0.035 . 1 . . . . . 141 THR N . 52911 1 627 . 1 . 1 142 142 LYS H H 1 7.828 0.001 . 1 . . . . . 142 LYS H . 52911 1 628 . 1 . 1 142 142 LYS C C 13 175.071 0.004 . 1 . . . . . 142 LYS C . 52911 1 629 . 1 . 1 142 142 LYS CA C 13 57.790 0.000 . 1 . . . . . 142 LYS CA . 52911 1 630 . 1 . 1 142 142 LYS CB C 13 32.687 0.010 . 1 . . . . . 142 LYS CB . 52911 1 631 . 1 . 1 142 142 LYS N N 15 115.005 0.034 . 1 . . . . . 142 LYS N . 52911 1 632 . 1 . 1 143 143 GLU H H 1 7.400 0.001 . 1 . . . . . 143 GLU H . 52911 1 633 . 1 . 1 143 143 GLU C C 13 175.537 0.012 . 1 . . . . . 143 GLU C . 52911 1 634 . 1 . 1 143 143 GLU CA C 13 55.444 0.000 . 1 . . . . . 143 GLU CA . 52911 1 635 . 1 . 1 143 143 GLU CB C 13 31.814 0.054 . 1 . . . . . 143 GLU CB . 52911 1 636 . 1 . 1 143 143 GLU N N 15 115.023 0.051 . 1 . . . . . 143 GLU N . 52911 1 637 . 1 . 1 144 144 LEU H H 1 8.510 0.002 . 1 . . . . . 144 LEU H . 52911 1 638 . 1 . 1 144 144 LEU C C 13 175.792 0.081 . 1 . . . . . 144 LEU C . 52911 1 639 . 1 . 1 144 144 LEU CA C 13 53.121 0.002 . 1 . . . . . 144 LEU CA . 52911 1 640 . 1 . 1 144 144 LEU CB C 13 45.822 0.079 . 1 . . . . . 144 LEU CB . 52911 1 641 . 1 . 1 144 144 LEU N N 15 123.470 0.052 . 1 . . . . . 144 LEU N . 52911 1 642 . 1 . 1 145 145 THR H H 1 7.165 0.002 . 1 . . . . . 145 THR H . 52911 1 643 . 1 . 1 145 145 THR C C 13 175.419 0.009 . 1 . . . . . 145 THR C . 52911 1 644 . 1 . 1 145 145 THR CA C 13 60.438 0.014 . 1 . . . . . 145 THR CA . 52911 1 645 . 1 . 1 145 145 THR CB C 13 70.718 0.060 . 1 . . . . . 145 THR CB . 52911 1 646 . 1 . 1 145 145 THR N N 15 111.386 0.044 . 1 . . . . . 145 THR N . 52911 1 647 . 1 . 1 146 146 SER H H 1 8.963 0.002 . 1 . . . . . 146 SER H . 52911 1 648 . 1 . 1 146 146 SER C C 13 176.621 0.000 . 1 . . . . . 146 SER C . 52911 1 649 . 1 . 1 146 146 SER CA C 13 62.159 0.077 . 1 . . . . . 146 SER CA . 52911 1 650 . 1 . 1 146 146 SER CB C 13 62.601 0.016 . 1 . . . . . 146 SER CB . 52911 1 651 . 1 . 1 146 146 SER N N 15 117.451 0.033 . 1 . . . . . 146 SER N . 52911 1 652 . 1 . 1 147 147 GLU H H 1 8.776 0.001 . 1 . . . . . 147 GLU H . 52911 1 653 . 1 . 1 147 147 GLU C C 13 178.696 0.004 . 1 . . . . . 147 GLU C . 52911 1 654 . 1 . 1 147 147 GLU CA C 13 59.941 0.012 . 1 . . . . . 147 GLU CA . 52911 1 655 . 1 . 1 147 147 GLU CB C 13 29.185 0.021 . 1 . . . . . 147 GLU CB . 52911 1 656 . 1 . 1 147 147 GLU N N 15 121.330 0.013 . 1 . . . . . 147 GLU N . 52911 1 657 . 1 . 1 148 148 LEU H H 1 7.391 0.002 . 1 . . . . . 148 LEU H . 52911 1 658 . 1 . 1 148 148 LEU C C 13 179.830 0.000 . 1 . . . . . 148 LEU C . 52911 1 659 . 1 . 1 148 148 LEU CA C 13 57.340 0.003 . 1 . . . . . 148 LEU CA . 52911 1 660 . 1 . 1 148 148 LEU CB C 13 42.099 0.063 . 1 . . . . . 148 LEU CB . 52911 1 661 . 1 . 1 148 148 LEU N N 15 120.461 0.037 . 1 . . . . . 148 LEU N . 52911 1 662 . 1 . 1 149 149 LYS H H 1 7.832 0.002 . 1 . . . . . 149 LYS H . 52911 1 663 . 1 . 1 149 149 LYS C C 13 178.429 0.006 . 1 . . . . . 149 LYS C . 52911 1 664 . 1 . 1 149 149 LYS CA C 13 61.161 0.016 . 1 . . . . . 149 LYS CA . 52911 1 665 . 1 . 1 149 149 LYS CB C 13 32.168 0.069 . 1 . . . . . 149 LYS CB . 52911 1 666 . 1 . 1 149 149 LYS N N 15 119.826 0.036 . 1 . . . . . 149 LYS N . 52911 1 667 . 1 . 1 150 150 GLU H H 1 8.599 0.004 . 1 . . . . . 150 GLU H . 52911 1 668 . 1 . 1 150 150 GLU C C 13 179.566 0.005 . 1 . . . . . 150 GLU C . 52911 1 669 . 1 . 1 150 150 GLU CA C 13 59.448 0.012 . 1 . . . . . 150 GLU CA . 52911 1 670 . 1 . 1 150 150 GLU CB C 13 28.968 0.010 . 1 . . . . . 150 GLU CB . 52911 1 671 . 1 . 1 150 150 GLU N N 15 118.473 0.024 . 1 . . . . . 150 GLU N . 52911 1 672 . 1 . 1 151 151 ASN H H 1 8.201 0.001 . 1 . . . . . 151 ASN H . 52911 1 673 . 1 . 1 151 151 ASN C C 13 177.837 0.005 . 1 . . . . . 151 ASN C . 52911 1 674 . 1 . 1 151 151 ASN CA C 13 56.484 0.005 . 1 . . . . . 151 ASN CA . 52911 1 675 . 1 . 1 151 151 ASN CB C 13 38.182 0.069 . 1 . . . . . 151 ASN CB . 52911 1 676 . 1 . 1 151 151 ASN N N 15 119.281 0.027 . 1 . . . . . 151 ASN N . 52911 1 677 . 1 . 1 152 152 PHE H H 1 8.195 0.002 . 1 . . . . . 152 PHE H . 52911 1 678 . 1 . 1 152 152 PHE C C 13 178.338 0.006 . 1 . . . . . 152 PHE C . 52911 1 679 . 1 . 1 152 152 PHE CA C 13 60.684 0.022 . 1 . . . . . 152 PHE CA . 52911 1 680 . 1 . 1 152 152 PHE CB C 13 40.366 0.098 . 1 . . . . . 152 PHE CB . 52911 1 681 . 1 . 1 152 152 PHE N N 15 122.450 0.027 . 1 . . . . . 152 PHE N . 52911 1 682 . 1 . 1 153 153 ILE H H 1 8.802 0.002 . 1 . . . . . 153 ILE H . 52911 1 683 . 1 . 1 153 153 ILE C C 13 177.414 0.002 . 1 . . . . . 153 ILE C . 52911 1 684 . 1 . 1 153 153 ILE CA C 13 66.479 0.005 . 1 . . . . . 153 ILE CA . 52911 1 685 . 1 . 1 153 153 ILE CB C 13 38.399 0.096 . 1 . . . . . 153 ILE CB . 52911 1 686 . 1 . 1 153 153 ILE N N 15 124.822 0.014 . 1 . . . . . 153 ILE N . 52911 1 687 . 1 . 1 154 154 ARG H H 1 8.480 0.002 . 1 . . . . . 154 ARG H . 52911 1 688 . 1 . 1 154 154 ARG C C 13 179.844 0.003 . 1 . . . . . 154 ARG C . 52911 1 689 . 1 . 1 154 154 ARG CA C 13 60.217 0.015 . 1 . . . . . 154 ARG CA . 52911 1 690 . 1 . 1 154 154 ARG CB C 13 30.183 0.060 . 1 . . . . . 154 ARG CB . 52911 1 691 . 1 . 1 154 154 ARG N N 15 119.258 0.030 . 1 . . . . . 154 ARG N . 52911 1 692 . 1 . 1 155 155 PHE H H 1 8.561 0.002 . 1 . . . . . 155 PHE H . 52911 1 693 . 1 . 1 155 155 PHE C C 13 178.905 0.003 . 1 . . . . . 155 PHE C . 52911 1 694 . 1 . 1 155 155 PHE CA C 13 60.964 0.017 . 1 . . . . . 155 PHE CA . 52911 1 695 . 1 . 1 155 155 PHE CB C 13 39.145 0.050 . 1 . . . . . 155 PHE CB . 52911 1 696 . 1 . 1 155 155 PHE N N 15 120.825 0.026 . 1 . . . . . 155 PHE N . 52911 1 697 . 1 . 1 156 156 SER H H 1 8.460 0.001 . 1 . . . . . 156 SER H . 52911 1 698 . 1 . 1 156 156 SER C C 13 176.597 0.010 . 1 . . . . . 156 SER C . 52911 1 699 . 1 . 1 156 156 SER CA C 13 64.067 0.021 . 1 . . . . . 156 SER CA . 52911 1 700 . 1 . 1 156 156 SER CB C 13 62.471 0.083 . 1 . . . . . 156 SER CB . 52911 1 701 . 1 . 1 156 156 SER N N 15 118.423 0.037 . 1 . . . . . 156 SER N . 52911 1 702 . 1 . 1 157 157 LYS H H 1 8.505 0.002 . 1 . . . . . 157 LYS H . 52911 1 703 . 1 . 1 157 157 LYS C C 13 181.297 0.007 . 1 . . . . . 157 LYS C . 52911 1 704 . 1 . 1 157 157 LYS CA C 13 59.348 0.005 . 1 . . . . . 157 LYS CA . 52911 1 705 . 1 . 1 157 157 LYS CB C 13 32.137 0.031 . 1 . . . . . 157 LYS CB . 52911 1 706 . 1 . 1 157 157 LYS N N 15 121.584 0.029 . 1 . . . . . 157 LYS N . 52911 1 707 . 1 . 1 158 158 SER H H 1 8.024 0.003 . 1 . . . . . 158 SER H . 52911 1 708 . 1 . 1 158 158 SER C C 13 175.006 0.165 . 1 . . . . . 158 SER C . 52911 1 709 . 1 . 1 158 158 SER CA C 13 61.422 0.047 . 1 . . . . . 158 SER CA . 52911 1 710 . 1 . 1 158 158 SER CB C 13 62.558 0.000 . 1 . . . . . 158 SER CB . 52911 1 711 . 1 . 1 158 158 SER N N 15 119.349 0.046 . 1 . . . . . 158 SER N . 52911 1 712 . 1 . 1 159 159 LEU H H 1 7.015 0.002 . 1 . . . . . 159 LEU H . 52911 1 713 . 1 . 1 159 159 LEU C C 13 175.726 0.007 . 1 . . . . . 159 LEU C . 52911 1 714 . 1 . 1 159 159 LEU CA C 13 54.159 0.001 . 1 . . . . . 159 LEU CA . 52911 1 715 . 1 . 1 159 159 LEU CB C 13 40.609 0.035 . 1 . . . . . 159 LEU CB . 52911 1 716 . 1 . 1 159 159 LEU N N 15 120.638 0.031 . 1 . . . . . 159 LEU N . 52911 1 717 . 1 . 1 160 160 GLY H H 1 7.761 0.002 . 1 . . . . . 160 GLY H . 52911 1 718 . 1 . 1 160 160 GLY C C 13 174.121 0.002 . 1 . . . . . 160 GLY C . 52911 1 719 . 1 . 1 160 160 GLY CA C 13 44.620 0.003 . 1 . . . . . 160 GLY CA . 52911 1 720 . 1 . 1 160 160 GLY N N 15 104.920 0.036 . 1 . . . . . 160 GLY N . 52911 1 721 . 1 . 1 161 161 LEU H H 1 7.282 0.003 . 1 . . . . . 161 LEU H . 52911 1 722 . 1 . 1 161 161 LEU C C 13 174.014 0.000 . 1 . . . . . 161 LEU C . 52911 1 723 . 1 . 1 161 161 LEU CA C 13 52.079 0.000 . 1 . . . . . 161 LEU CA . 52911 1 724 . 1 . 1 161 161 LEU CB C 13 41.646 0.000 . 1 . . . . . 161 LEU CB . 52911 1 725 . 1 . 1 161 161 LEU N N 15 119.456 0.024 . 1 . . . . . 161 LEU N . 52911 1 726 . 1 . 1 162 162 PRO C C 13 177.470 0.000 . 1 . . . . . 162 PRO C . 52911 1 727 . 1 . 1 162 162 PRO CA C 13 61.170 0.000 . 1 . . . . . 162 PRO CA . 52911 1 728 . 1 . 1 162 162 PRO CB C 13 32.477 0.000 . 1 . . . . . 162 PRO CB . 52911 1 729 . 1 . 1 163 163 GLU H H 1 8.911 0.002 . 1 . . . . . 163 GLU H . 52911 1 730 . 1 . 1 163 163 GLU C C 13 176.870 0.003 . 1 . . . . . 163 GLU C . 52911 1 731 . 1 . 1 163 163 GLU CA C 13 60.112 0.019 . 1 . . . . . 163 GLU CA . 52911 1 732 . 1 . 1 163 163 GLU CB C 13 29.517 0.008 . 1 . . . . . 163 GLU CB . 52911 1 733 . 1 . 1 163 163 GLU N N 15 118.556 0.027 . 1 . . . . . 163 GLU N . 52911 1 734 . 1 . 1 164 164 ASN H H 1 8.340 0.002 . 1 . . . . . 164 ASN H . 52911 1 735 . 1 . 1 164 164 ASN C C 13 174.999 0.051 . 1 . . . . . 164 ASN C . 52911 1 736 . 1 . 1 164 164 ASN CA C 13 54.312 0.001 . 1 . . . . . 164 ASN CA . 52911 1 737 . 1 . 1 164 164 ASN CB C 13 36.208 0.021 . 1 . . . . . 164 ASN CB . 52911 1 738 . 1 . 1 164 164 ASN N N 15 112.712 0.029 . 1 . . . . . 164 ASN N . 52911 1 739 . 1 . 1 165 165 HIS H H 1 8.246 0.001 . 1 . . . . . 165 HIS H . 52911 1 740 . 1 . 1 165 165 HIS C C 13 171.423 0.002 . 1 . . . . . 165 HIS C . 52911 1 741 . 1 . 1 165 165 HIS CA C 13 55.499 0.010 . 1 . . . . . 165 HIS CA . 52911 1 742 . 1 . 1 165 165 HIS CB C 13 28.509 0.066 . 1 . . . . . 165 HIS CB . 52911 1 743 . 1 . 1 165 165 HIS N N 15 118.407 0.050 . 1 . . . . . 165 HIS N . 52911 1 744 . 1 . 1 166 166 ILE H H 1 7.244 0.002 . 1 . . . . . 166 ILE H . 52911 1 745 . 1 . 1 166 166 ILE C C 13 174.531 0.007 . 1 . . . . . 166 ILE C . 52911 1 746 . 1 . 1 166 166 ILE CA C 13 61.662 0.014 . 1 . . . . . 166 ILE CA . 52911 1 747 . 1 . 1 166 166 ILE CB C 13 39.205 0.062 . 1 . . . . . 166 ILE CB . 52911 1 748 . 1 . 1 166 166 ILE N N 15 118.843 0.023 . 1 . . . . . 166 ILE N . 52911 1 749 . 1 . 1 167 167 VAL H H 1 9.169 0.001 . 1 . . . . . 167 VAL H . 52911 1 750 . 1 . 1 167 167 VAL C C 13 173.547 0.008 . 1 . . . . . 167 VAL C . 52911 1 751 . 1 . 1 167 167 VAL CA C 13 60.595 0.004 . 1 . . . . . 167 VAL CA . 52911 1 752 . 1 . 1 167 167 VAL CB C 13 35.440 0.067 . 1 . . . . . 167 VAL CB . 52911 1 753 . 1 . 1 167 167 VAL N N 15 125.567 0.019 . 1 . . . . . 167 VAL N . 52911 1 754 . 1 . 1 168 168 PHE H H 1 8.860 0.005 . 1 . . . . . 168 PHE H . 52911 1 755 . 1 . 1 168 168 PHE C C 13 173.929 0.000 . 1 . . . . . 168 PHE C . 52911 1 756 . 1 . 1 168 168 PHE CA C 13 54.855 0.000 . 1 . . . . . 168 PHE CA . 52911 1 757 . 1 . 1 168 168 PHE CB C 13 39.280 0.000 . 1 . . . . . 168 PHE CB . 52911 1 758 . 1 . 1 168 168 PHE N N 15 124.731 0.025 . 1 . . . . . 168 PHE N . 52911 1 759 . 1 . 1 175 175 CYS C C 13 174.733 0.000 . 1 . . . . . 175 CYS C . 52911 1 760 . 1 . 1 175 175 CYS CA C 13 54.579 0.000 . 1 . . . . . 175 CYS CA . 52911 1 761 . 1 . 1 175 175 CYS CB C 13 38.607 0.000 . 1 . . . . . 175 CYS CB . 52911 1 762 . 1 . 1 176 176 ILE H H 1 8.355 0.002 . 1 . . . . . 176 ILE H . 52911 1 763 . 1 . 1 176 176 ILE C C 13 175.702 0.005 . 1 . . . . . 176 ILE C . 52911 1 764 . 1 . 1 176 176 ILE CA C 13 61.301 0.007 . 1 . . . . . 176 ILE CA . 52911 1 765 . 1 . 1 176 176 ILE CB C 13 38.868 0.044 . 1 . . . . . 176 ILE CB . 52911 1 766 . 1 . 1 176 176 ILE N N 15 123.590 0.050 . 1 . . . . . 176 ILE N . 52911 1 767 . 1 . 1 177 177 ASP H H 1 8.475 0.001 . 1 . . . . . 177 ASP H . 52911 1 768 . 1 . 1 177 177 ASP C C 13 176.755 0.001 . 1 . . . . . 177 ASP C . 52911 1 769 . 1 . 1 177 177 ASP CA C 13 54.319 0.001 . 1 . . . . . 177 ASP CA . 52911 1 770 . 1 . 1 177 177 ASP CB C 13 41.151 0.035 . 1 . . . . . 177 ASP CB . 52911 1 771 . 1 . 1 177 177 ASP N N 15 125.137 0.025 . 1 . . . . . 177 ASP N . 52911 1 772 . 1 . 1 178 178 GLY H H 1 8.367 0.002 . 1 . . . . . 178 GLY H . 52911 1 773 . 1 . 1 178 178 GLY C C 13 174.579 0.004 . 1 . . . . . 178 GLY C . 52911 1 774 . 1 . 1 178 178 GLY CA C 13 45.703 0.003 . 1 . . . . . 178 GLY CA . 52911 1 775 . 1 . 1 178 178 GLY N N 15 111.009 0.027 . 1 . . . . . 178 GLY N . 52911 1 776 . 1 . 1 179 179 SER H H 1 8.210 0.002 . 1 . . . . . 179 SER H . 52911 1 777 . 1 . 1 179 179 SER C C 13 174.517 0.004 . 1 . . . . . 179 SER C . 52911 1 778 . 1 . 1 179 179 SER CA C 13 58.859 0.007 . 1 . . . . . 179 SER CA . 52911 1 779 . 1 . 1 179 179 SER CB C 13 63.869 0.046 . 1 . . . . . 179 SER CB . 52911 1 780 . 1 . 1 179 179 SER N N 15 116.006 0.025 . 1 . . . . . 179 SER N . 52911 1 781 . 1 . 1 180 180 ALA H H 1 8.124 0.002 . 1 . . . . . 180 ALA H . 52911 1 782 . 1 . 1 180 180 ALA C C 13 177.492 0.002 . 1 . . . . . 180 ALA C . 52911 1 783 . 1 . 1 180 180 ALA CA C 13 52.781 0.005 . 1 . . . . . 180 ALA CA . 52911 1 784 . 1 . 1 180 180 ALA CB C 13 19.002 0.018 . 1 . . . . . 180 ALA CB . 52911 1 785 . 1 . 1 180 180 ALA N N 15 125.054 0.028 . 1 . . . . . 180 ALA N . 52911 1 786 . 1 . 1 181 181 HIS H H 1 8.086 0.004 . 1 . . . . . 181 HIS H . 52911 1 787 . 1 . 1 181 181 HIS C C 13 174.864 0.000 . 1 . . . . . 181 HIS C . 52911 1 788 . 1 . 1 181 181 HIS CA C 13 55.975 0.081 . 1 . . . . . 181 HIS CA . 52911 1 789 . 1 . 1 181 181 HIS CB C 13 30.081 0.050 . 1 . . . . . 181 HIS CB . 52911 1 790 . 1 . 1 181 181 HIS N N 15 117.426 0.039 . 1 . . . . . 181 HIS N . 52911 1 791 . 1 . 1 182 182 HIS H H 1 8.140 0.006 . 1 . . . . . 182 HIS H . 52911 1 792 . 1 . 1 182 182 HIS C C 13 179.078 0.000 . 1 . . . . . 182 HIS C . 52911 1 793 . 1 . 1 182 182 HIS CA C 13 57.288 0.000 . 1 . . . . . 182 HIS CA . 52911 1 794 . 1 . 1 182 182 HIS CB C 13 30.173 0.000 . 1 . . . . . 182 HIS CB . 52911 1 795 . 1 . 1 182 182 HIS N N 15 125.448 0.033 . 1 . . . . . 182 HIS N . 52911 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_2 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_2 _Assigned_chem_shift_list.Entry_ID 52911 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Name ILV_methyl_group_assignments _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 8 '2D 1H-13C HMQC' . . . 52911 2 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 4 $software_4 . . 52911 2 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 7 7 LEU HD11 H 1 0.816 0.000 . 2 . . . . . 7 LEU HD11 . 52911 2 2 . 1 . 1 7 7 LEU HD12 H 1 0.816 0.000 . 2 . . . . . 7 LEU HD12 . 52911 2 3 . 1 . 1 7 7 LEU HD13 H 1 0.816 0.000 . 2 . . . . . 7 LEU HD13 . 52911 2 4 . 1 . 1 7 7 LEU HD21 H 1 0.862 0.000 . 2 . . . . . 7 LEU HD21 . 52911 2 5 . 1 . 1 7 7 LEU HD22 H 1 0.862 0.000 . 2 . . . . . 7 LEU HD22 . 52911 2 6 . 1 . 1 7 7 LEU HD23 H 1 0.862 0.000 . 2 . . . . . 7 LEU HD23 . 52911 2 7 . 1 . 1 7 7 LEU CD1 C 13 24.026 0.000 . 2 . . . . . 7 LEU CD1 . 52911 2 8 . 1 . 1 7 7 LEU CD2 C 13 24.889 0.000 . 2 . . . . . 7 LEU CD2 . 52911 2 9 . 1 . 1 8 8 ILE HD11 H 1 0.651 0.000 . 1 . . . . . 8 ILE HD11 . 52911 2 10 . 1 . 1 8 8 ILE HD12 H 1 0.651 0.000 . 1 . . . . . 8 ILE HD12 . 52911 2 11 . 1 . 1 8 8 ILE HD13 H 1 0.651 0.000 . 1 . . . . . 8 ILE HD13 . 52911 2 12 . 1 . 1 8 8 ILE CD1 C 13 13.482 0.000 . 1 . . . . . 8 ILE CD1 . 52911 2 13 . 1 . 1 13 13 LEU HD11 H 1 0.710 0.000 . 2 . . . . . 13 LEU HD11 . 52911 2 14 . 1 . 1 13 13 LEU HD12 H 1 0.710 0.000 . 2 . . . . . 13 LEU HD12 . 52911 2 15 . 1 . 1 13 13 LEU HD13 H 1 0.710 0.000 . 2 . . . . . 13 LEU HD13 . 52911 2 16 . 1 . 1 13 13 LEU HD21 H 1 0.865 0.000 . 2 . . . . . 13 LEU HD21 . 52911 2 17 . 1 . 1 13 13 LEU HD22 H 1 0.865 0.000 . 2 . . . . . 13 LEU HD22 . 52911 2 18 . 1 . 1 13 13 LEU HD23 H 1 0.865 0.000 . 2 . . . . . 13 LEU HD23 . 52911 2 19 . 1 . 1 13 13 LEU CD1 C 13 23.055 0.000 . 2 . . . . . 13 LEU CD1 . 52911 2 20 . 1 . 1 13 13 LEU CD2 C 13 25.163 0.000 . 2 . . . . . 13 LEU CD2 . 52911 2 21 . 1 . 1 16 16 VAL HG11 H 1 0.394 0.000 . 2 . . . . . 16 VAL HG11 . 52911 2 22 . 1 . 1 16 16 VAL HG12 H 1 0.394 0.000 . 2 . . . . . 16 VAL HG12 . 52911 2 23 . 1 . 1 16 16 VAL HG13 H 1 0.394 0.000 . 2 . . . . . 16 VAL HG13 . 52911 2 24 . 1 . 1 16 16 VAL HG21 H 1 -0.139 0.000 . 2 . . . . . 16 VAL HG21 . 52911 2 25 . 1 . 1 16 16 VAL HG22 H 1 -0.139 0.000 . 2 . . . . . 16 VAL HG22 . 52911 2 26 . 1 . 1 16 16 VAL HG23 H 1 -0.139 0.000 . 2 . . . . . 16 VAL HG23 . 52911 2 27 . 1 . 1 16 16 VAL CG1 C 13 22.731 0.000 . 2 . . . . . 16 VAL CG1 . 52911 2 28 . 1 . 1 16 16 VAL CG2 C 13 19.035 0.000 . 2 . . . . . 16 VAL CG2 . 52911 2 29 . 1 . 1 18 18 LEU HD11 H 1 0.690 0.000 . 2 . . . . . 18 LEU HD11 . 52911 2 30 . 1 . 1 18 18 LEU HD12 H 1 0.690 0.000 . 2 . . . . . 18 LEU HD12 . 52911 2 31 . 1 . 1 18 18 LEU HD13 H 1 0.690 0.000 . 2 . . . . . 18 LEU HD13 . 52911 2 32 . 1 . 1 18 18 LEU HD21 H 1 0.611 0.000 . 2 . . . . . 18 LEU HD21 . 52911 2 33 . 1 . 1 18 18 LEU HD22 H 1 0.611 0.000 . 2 . . . . . 18 LEU HD22 . 52911 2 34 . 1 . 1 18 18 LEU HD23 H 1 0.611 0.000 . 2 . . . . . 18 LEU HD23 . 52911 2 35 . 1 . 1 18 18 LEU CD1 C 13 24.711 0.000 . 2 . . . . . 18 LEU CD1 . 52911 2 36 . 1 . 1 18 18 LEU CD2 C 13 25.470 0.000 . 2 . . . . . 18 LEU CD2 . 52911 2 37 . 1 . 1 34 34 VAL HG11 H 1 0.983 0.000 . 2 . . . . . 34 VAL HG11 . 52911 2 38 . 1 . 1 34 34 VAL HG12 H 1 0.983 0.000 . 2 . . . . . 34 VAL HG12 . 52911 2 39 . 1 . 1 34 34 VAL HG13 H 1 0.983 0.000 . 2 . . . . . 34 VAL HG13 . 52911 2 40 . 1 . 1 34 34 VAL HG21 H 1 0.921 0.000 . 2 . . . . . 34 VAL HG21 . 52911 2 41 . 1 . 1 34 34 VAL HG22 H 1 0.921 0.000 . 2 . . . . . 34 VAL HG22 . 52911 2 42 . 1 . 1 34 34 VAL HG23 H 1 0.921 0.000 . 2 . . . . . 34 VAL HG23 . 52911 2 43 . 1 . 1 34 34 VAL CG1 C 13 21.509 0.000 . 2 . . . . . 34 VAL CG1 . 52911 2 44 . 1 . 1 34 34 VAL CG2 C 13 20.752 0.000 . 2 . . . . . 34 VAL CG2 . 52911 2 45 . 1 . 1 36 36 VAL HG11 H 1 0.305 0.000 . 2 . . . . . 36 VAL HG11 . 52911 2 46 . 1 . 1 36 36 VAL HG12 H 1 0.305 0.000 . 2 . . . . . 36 VAL HG12 . 52911 2 47 . 1 . 1 36 36 VAL HG13 H 1 0.305 0.000 . 2 . . . . . 36 VAL HG13 . 52911 2 48 . 1 . 1 36 36 VAL HG21 H 1 0.379 0.000 . 2 . . . . . 36 VAL HG21 . 52911 2 49 . 1 . 1 36 36 VAL HG22 H 1 0.379 0.000 . 2 . . . . . 36 VAL HG22 . 52911 2 50 . 1 . 1 36 36 VAL HG23 H 1 0.379 0.000 . 2 . . . . . 36 VAL HG23 . 52911 2 51 . 1 . 1 36 36 VAL CG1 C 13 20.800 0.000 . 2 . . . . . 36 VAL CG1 . 52911 2 52 . 1 . 1 36 36 VAL CG2 C 13 21.435 0.000 . 2 . . . . . 36 VAL CG2 . 52911 2 53 . 1 . 1 42 42 LEU HD11 H 1 0.682 0.000 . 2 . . . . . 42 LEU HD11 . 52911 2 54 . 1 . 1 42 42 LEU HD12 H 1 0.682 0.000 . 2 . . . . . 42 LEU HD12 . 52911 2 55 . 1 . 1 42 42 LEU HD13 H 1 0.682 0.000 . 2 . . . . . 42 LEU HD13 . 52911 2 56 . 1 . 1 42 42 LEU HD21 H 1 0.501 0.000 . 2 . . . . . 42 LEU HD21 . 52911 2 57 . 1 . 1 42 42 LEU HD22 H 1 0.501 0.000 . 2 . . . . . 42 LEU HD22 . 52911 2 58 . 1 . 1 42 42 LEU HD23 H 1 0.501 0.000 . 2 . . . . . 42 LEU HD23 . 52911 2 59 . 1 . 1 42 42 LEU CD1 C 13 24.819 0.000 . 2 . . . . . 42 LEU CD1 . 52911 2 60 . 1 . 1 42 42 LEU CD2 C 13 24.165 0.000 . 2 . . . . . 42 LEU CD2 . 52911 2 61 . 1 . 1 49 49 ILE HD11 H 1 0.826 0.000 . 1 . . . . . 49 ILE HD11 . 52911 2 62 . 1 . 1 49 49 ILE HD12 H 1 0.826 0.000 . 1 . . . . . 49 ILE HD12 . 52911 2 63 . 1 . 1 49 49 ILE HD13 H 1 0.826 0.000 . 1 . . . . . 49 ILE HD13 . 52911 2 64 . 1 . 1 49 49 ILE CD1 C 13 13.800 0.000 . 1 . . . . . 49 ILE CD1 . 52911 2 65 . 1 . 1 55 55 ILE HD11 H 1 0.631 0.000 . 1 . . . . . 55 ILE HD11 . 52911 2 66 . 1 . 1 55 55 ILE HD12 H 1 0.631 0.000 . 1 . . . . . 55 ILE HD12 . 52911 2 67 . 1 . 1 55 55 ILE HD13 H 1 0.631 0.000 . 1 . . . . . 55 ILE HD13 . 52911 2 68 . 1 . 1 55 55 ILE CD1 C 13 12.443 0.000 . 1 . . . . . 55 ILE CD1 . 52911 2 69 . 1 . 1 58 58 LEU HD11 H 1 0.268 0.000 . 2 . . . . . 58 LEU HD11 . 52911 2 70 . 1 . 1 58 58 LEU HD12 H 1 0.268 0.000 . 2 . . . . . 58 LEU HD12 . 52911 2 71 . 1 . 1 58 58 LEU HD13 H 1 0.268 0.000 . 2 . . . . . 58 LEU HD13 . 52911 2 72 . 1 . 1 58 58 LEU HD21 H 1 0.606 0.000 . 2 . . . . . 58 LEU HD21 . 52911 2 73 . 1 . 1 58 58 LEU HD22 H 1 0.606 0.000 . 2 . . . . . 58 LEU HD22 . 52911 2 74 . 1 . 1 58 58 LEU HD23 H 1 0.606 0.000 . 2 . . . . . 58 LEU HD23 . 52911 2 75 . 1 . 1 58 58 LEU CD1 C 13 22.136 0.000 . 2 . . . . . 58 LEU CD1 . 52911 2 76 . 1 . 1 58 58 LEU CD2 C 13 26.162 0.000 . 2 . . . . . 58 LEU CD2 . 52911 2 77 . 1 . 1 66 66 VAL HG11 H 1 0.370 0.000 . 2 . . . . . 66 VAL HG11 . 52911 2 78 . 1 . 1 66 66 VAL HG12 H 1 0.370 0.000 . 2 . . . . . 66 VAL HG12 . 52911 2 79 . 1 . 1 66 66 VAL HG13 H 1 0.370 0.000 . 2 . . . . . 66 VAL HG13 . 52911 2 80 . 1 . 1 66 66 VAL HG21 H 1 0.505 0.000 . 2 . . . . . 66 VAL HG21 . 52911 2 81 . 1 . 1 66 66 VAL HG22 H 1 0.505 0.000 . 2 . . . . . 66 VAL HG22 . 52911 2 82 . 1 . 1 66 66 VAL HG23 H 1 0.505 0.000 . 2 . . . . . 66 VAL HG23 . 52911 2 83 . 1 . 1 66 66 VAL CG1 C 13 20.984 0.000 . 2 . . . . . 66 VAL CG1 . 52911 2 84 . 1 . 1 66 66 VAL CG2 C 13 23.741 0.000 . 2 . . . . . 66 VAL CG2 . 52911 2 85 . 1 . 1 83 83 LEU HD11 H 1 0.071 0.000 . 2 . . . . . 83 LEU HD11 . 52911 2 86 . 1 . 1 83 83 LEU HD12 H 1 0.071 0.000 . 2 . . . . . 83 LEU HD12 . 52911 2 87 . 1 . 1 83 83 LEU HD13 H 1 0.071 0.000 . 2 . . . . . 83 LEU HD13 . 52911 2 88 . 1 . 1 83 83 LEU HD21 H 1 0.604 0.000 . 2 . . . . . 83 LEU HD21 . 52911 2 89 . 1 . 1 83 83 LEU HD22 H 1 0.604 0.000 . 2 . . . . . 83 LEU HD22 . 52911 2 90 . 1 . 1 83 83 LEU HD23 H 1 0.604 0.000 . 2 . . . . . 83 LEU HD23 . 52911 2 91 . 1 . 1 83 83 LEU CD1 C 13 25.223 0.000 . 2 . . . . . 83 LEU CD1 . 52911 2 92 . 1 . 1 83 83 LEU CD2 C 13 26.556 0.000 . 2 . . . . . 83 LEU CD2 . 52911 2 93 . 1 . 1 84 84 VAL HG11 H 1 1.124 0.000 . 2 . . . . . 84 VAL HG11 . 52911 2 94 . 1 . 1 84 84 VAL HG12 H 1 1.124 0.000 . 2 . . . . . 84 VAL HG12 . 52911 2 95 . 1 . 1 84 84 VAL HG13 H 1 1.124 0.000 . 2 . . . . . 84 VAL HG13 . 52911 2 96 . 1 . 1 84 84 VAL HG21 H 1 1.145 0.000 . 2 . . . . . 84 VAL HG21 . 52911 2 97 . 1 . 1 84 84 VAL HG22 H 1 1.145 0.000 . 2 . . . . . 84 VAL HG22 . 52911 2 98 . 1 . 1 84 84 VAL HG23 H 1 1.145 0.000 . 2 . . . . . 84 VAL HG23 . 52911 2 99 . 1 . 1 84 84 VAL CG1 C 13 21.629 0.000 . 2 . . . . . 84 VAL CG1 . 52911 2 100 . 1 . 1 84 84 VAL CG2 C 13 20.808 0.000 . 2 . . . . . 84 VAL CG2 . 52911 2 101 . 1 . 1 94 94 LEU HD11 H 1 0.567 0.000 . 2 . . . . . 94 LEU HD11 . 52911 2 102 . 1 . 1 94 94 LEU HD12 H 1 0.567 0.000 . 2 . . . . . 94 LEU HD12 . 52911 2 103 . 1 . 1 94 94 LEU HD13 H 1 0.567 0.000 . 2 . . . . . 94 LEU HD13 . 52911 2 104 . 1 . 1 94 94 LEU HD21 H 1 0.751 0.000 . 2 . . . . . 94 LEU HD21 . 52911 2 105 . 1 . 1 94 94 LEU HD22 H 1 0.751 0.000 . 2 . . . . . 94 LEU HD22 . 52911 2 106 . 1 . 1 94 94 LEU HD23 H 1 0.751 0.000 . 2 . . . . . 94 LEU HD23 . 52911 2 107 . 1 . 1 94 94 LEU CD1 C 13 25.780 0.000 . 2 . . . . . 94 LEU CD1 . 52911 2 108 . 1 . 1 94 94 LEU CD2 C 13 23.773 0.000 . 2 . . . . . 94 LEU CD2 . 52911 2 109 . 1 . 1 97 97 ILE HD11 H 1 0.800 0.000 . 1 . . . . . 97 ILE HD11 . 52911 2 110 . 1 . 1 97 97 ILE HD12 H 1 0.800 0.000 . 1 . . . . . 97 ILE HD12 . 52911 2 111 . 1 . 1 97 97 ILE HD13 H 1 0.800 0.000 . 1 . . . . . 97 ILE HD13 . 52911 2 112 . 1 . 1 97 97 ILE CD1 C 13 13.282 0.000 . 1 . . . . . 97 ILE CD1 . 52911 2 113 . 1 . 1 107 107 LEU HD11 H 1 0.968 0.000 . 2 . . . . . 107 LEU HD11 . 52911 2 114 . 1 . 1 107 107 LEU HD12 H 1 0.968 0.000 . 2 . . . . . 107 LEU HD12 . 52911 2 115 . 1 . 1 107 107 LEU HD13 H 1 0.968 0.000 . 2 . . . . . 107 LEU HD13 . 52911 2 116 . 1 . 1 107 107 LEU HD21 H 1 0.990 0.000 . 2 . . . . . 107 LEU HD21 . 52911 2 117 . 1 . 1 107 107 LEU HD22 H 1 0.990 0.000 . 2 . . . . . 107 LEU HD22 . 52911 2 118 . 1 . 1 107 107 LEU HD23 H 1 0.990 0.000 . 2 . . . . . 107 LEU HD23 . 52911 2 119 . 1 . 1 107 107 LEU CD1 C 13 25.415 0.000 . 2 . . . . . 107 LEU CD1 . 52911 2 120 . 1 . 1 107 107 LEU CD2 C 13 24.940 0.000 . 2 . . . . . 107 LEU CD2 . 52911 2 121 . 1 . 1 108 108 VAL HG11 H 1 0.632 0.000 . 2 . . . . . 108 VAL HG11 . 52911 2 122 . 1 . 1 108 108 VAL HG12 H 1 0.632 0.000 . 2 . . . . . 108 VAL HG12 . 52911 2 123 . 1 . 1 108 108 VAL HG13 H 1 0.632 0.000 . 2 . . . . . 108 VAL HG13 . 52911 2 124 . 1 . 1 108 108 VAL HG21 H 1 0.152 0.000 . 2 . . . . . 108 VAL HG21 . 52911 2 125 . 1 . 1 108 108 VAL HG22 H 1 0.152 0.000 . 2 . . . . . 108 VAL HG22 . 52911 2 126 . 1 . 1 108 108 VAL HG23 H 1 0.152 0.000 . 2 . . . . . 108 VAL HG23 . 52911 2 127 . 1 . 1 108 108 VAL CG1 C 13 22.321 0.000 . 2 . . . . . 108 VAL CG1 . 52911 2 128 . 1 . 1 108 108 VAL CG2 C 13 20.261 0.000 . 2 . . . . . 108 VAL CG2 . 52911 2 129 . 1 . 1 110 110 VAL HG11 H 1 0.456 0.000 . 2 . . . . . 110 VAL HG11 . 52911 2 130 . 1 . 1 110 110 VAL HG12 H 1 0.456 0.000 . 2 . . . . . 110 VAL HG12 . 52911 2 131 . 1 . 1 110 110 VAL HG13 H 1 0.456 0.000 . 2 . . . . . 110 VAL HG13 . 52911 2 132 . 1 . 1 110 110 VAL HG21 H 1 0.141 0.000 . 2 . . . . . 110 VAL HG21 . 52911 2 133 . 1 . 1 110 110 VAL HG22 H 1 0.141 0.000 . 2 . . . . . 110 VAL HG22 . 52911 2 134 . 1 . 1 110 110 VAL HG23 H 1 0.141 0.000 . 2 . . . . . 110 VAL HG23 . 52911 2 135 . 1 . 1 110 110 VAL CG1 C 13 20.530 0.000 . 2 . . . . . 110 VAL CG1 . 52911 2 136 . 1 . 1 110 110 VAL CG2 C 13 19.380 0.000 . 2 . . . . . 110 VAL CG2 . 52911 2 137 . 1 . 1 111 111 VAL HG11 H 1 0.947 0.000 . 2 . . . . . 111 VAL HG11 . 52911 2 138 . 1 . 1 111 111 VAL HG12 H 1 0.947 0.000 . 2 . . . . . 111 VAL HG12 . 52911 2 139 . 1 . 1 111 111 VAL HG13 H 1 0.947 0.000 . 2 . . . . . 111 VAL HG13 . 52911 2 140 . 1 . 1 111 111 VAL HG21 H 1 0.375 0.000 . 2 . . . . . 111 VAL HG21 . 52911 2 141 . 1 . 1 111 111 VAL HG22 H 1 0.375 0.000 . 2 . . . . . 111 VAL HG22 . 52911 2 142 . 1 . 1 111 111 VAL HG23 H 1 0.375 0.000 . 2 . . . . . 111 VAL HG23 . 52911 2 143 . 1 . 1 111 111 VAL CG1 C 13 21.736 0.000 . 2 . . . . . 111 VAL CG1 . 52911 2 144 . 1 . 1 111 111 VAL CG2 C 13 20.386 0.000 . 2 . . . . . 111 VAL CG2 . 52911 2 145 . 1 . 1 121 121 VAL HG11 H 1 0.287 0.000 . 2 . . . . . 121 VAL HG11 . 52911 2 146 . 1 . 1 121 121 VAL HG12 H 1 0.287 0.000 . 2 . . . . . 121 VAL HG12 . 52911 2 147 . 1 . 1 121 121 VAL HG13 H 1 0.287 0.000 . 2 . . . . . 121 VAL HG13 . 52911 2 148 . 1 . 1 121 121 VAL HG21 H 1 0.553 0.000 . 2 . . . . . 121 VAL HG21 . 52911 2 149 . 1 . 1 121 121 VAL HG22 H 1 0.553 0.000 . 2 . . . . . 121 VAL HG22 . 52911 2 150 . 1 . 1 121 121 VAL HG23 H 1 0.553 0.000 . 2 . . . . . 121 VAL HG23 . 52911 2 151 . 1 . 1 121 121 VAL CG1 C 13 23.619 0.000 . 2 . . . . . 121 VAL CG1 . 52911 2 152 . 1 . 1 121 121 VAL CG2 C 13 22.298 0.000 . 2 . . . . . 121 VAL CG2 . 52911 2 153 . 1 . 1 126 126 VAL HG11 H 1 0.835 0.000 . 2 . . . . . 126 VAL HG11 . 52911 2 154 . 1 . 1 126 126 VAL HG12 H 1 0.835 0.000 . 2 . . . . . 126 VAL HG12 . 52911 2 155 . 1 . 1 126 126 VAL HG13 H 1 0.835 0.000 . 2 . . . . . 126 VAL HG13 . 52911 2 156 . 1 . 1 126 126 VAL HG21 H 1 0.869 0.000 . 2 . . . . . 126 VAL HG21 . 52911 2 157 . 1 . 1 126 126 VAL HG22 H 1 0.869 0.000 . 2 . . . . . 126 VAL HG22 . 52911 2 158 . 1 . 1 126 126 VAL HG23 H 1 0.869 0.000 . 2 . . . . . 126 VAL HG23 . 52911 2 159 . 1 . 1 126 126 VAL CG1 C 13 21.402 0.000 . 2 . . . . . 126 VAL CG1 . 52911 2 160 . 1 . 1 126 126 VAL CG2 C 13 21.663 0.000 . 2 . . . . . 126 VAL CG2 . 52911 2 161 . 1 . 1 135 135 ILE HD11 H 1 1.137 0.000 . 1 . . . . . 135 ILE HD11 . 52911 2 162 . 1 . 1 135 135 ILE HD12 H 1 1.137 0.000 . 1 . . . . . 135 ILE HD12 . 52911 2 163 . 1 . 1 135 135 ILE HD13 H 1 1.137 0.000 . 1 . . . . . 135 ILE HD13 . 52911 2 164 . 1 . 1 135 135 ILE CD1 C 13 16.808 0.000 . 1 . . . . . 135 ILE CD1 . 52911 2 165 . 1 . 1 137 137 LEU HD11 H 1 0.589 0.000 . 2 . . . . . 137 LEU HD11 . 52911 2 166 . 1 . 1 137 137 LEU HD12 H 1 0.589 0.000 . 2 . . . . . 137 LEU HD12 . 52911 2 167 . 1 . 1 137 137 LEU HD13 H 1 0.589 0.000 . 2 . . . . . 137 LEU HD13 . 52911 2 168 . 1 . 1 137 137 LEU HD21 H 1 0.853 0.000 . 2 . . . . . 137 LEU HD21 . 52911 2 169 . 1 . 1 137 137 LEU HD22 H 1 0.853 0.000 . 2 . . . . . 137 LEU HD22 . 52911 2 170 . 1 . 1 137 137 LEU HD23 H 1 0.853 0.000 . 2 . . . . . 137 LEU HD23 . 52911 2 171 . 1 . 1 137 137 LEU CD1 C 13 26.558 0.000 . 2 . . . . . 137 LEU CD1 . 52911 2 172 . 1 . 1 137 137 LEU CD2 C 13 22.642 0.000 . 2 . . . . . 137 LEU CD2 . 52911 2 173 . 1 . 1 144 144 LEU HD11 H 1 1.072 0.000 . 2 . . . . . 144 LEU HD11 . 52911 2 174 . 1 . 1 144 144 LEU HD12 H 1 1.072 0.000 . 2 . . . . . 144 LEU HD12 . 52911 2 175 . 1 . 1 144 144 LEU HD13 H 1 1.072 0.000 . 2 . . . . . 144 LEU HD13 . 52911 2 176 . 1 . 1 144 144 LEU HD21 H 1 0.909 0.000 . 2 . . . . . 144 LEU HD21 . 52911 2 177 . 1 . 1 144 144 LEU HD22 H 1 0.909 0.000 . 2 . . . . . 144 LEU HD22 . 52911 2 178 . 1 . 1 144 144 LEU HD23 H 1 0.909 0.000 . 2 . . . . . 144 LEU HD23 . 52911 2 179 . 1 . 1 144 144 LEU CD1 C 13 24.780 0.000 . 2 . . . . . 144 LEU CD1 . 52911 2 180 . 1 . 1 144 144 LEU CD2 C 13 25.697 0.000 . 2 . . . . . 144 LEU CD2 . 52911 2 181 . 1 . 1 148 148 LEU HD11 H 1 0.425 0.000 . 2 . . . . . 148 LEU HD11 . 52911 2 182 . 1 . 1 148 148 LEU HD12 H 1 0.425 0.000 . 2 . . . . . 148 LEU HD12 . 52911 2 183 . 1 . 1 148 148 LEU HD13 H 1 0.425 0.000 . 2 . . . . . 148 LEU HD13 . 52911 2 184 . 1 . 1 148 148 LEU HD21 H 1 0.745 0.000 . 2 . . . . . 148 LEU HD21 . 52911 2 185 . 1 . 1 148 148 LEU HD22 H 1 0.745 0.000 . 2 . . . . . 148 LEU HD22 . 52911 2 186 . 1 . 1 148 148 LEU HD23 H 1 0.745 0.000 . 2 . . . . . 148 LEU HD23 . 52911 2 187 . 1 . 1 148 148 LEU CD1 C 13 22.895 0.000 . 2 . . . . . 148 LEU CD1 . 52911 2 188 . 1 . 1 148 148 LEU CD2 C 13 25.344 0.000 . 2 . . . . . 148 LEU CD2 . 52911 2 189 . 1 . 1 153 153 ILE HD11 H 1 1.070 0.000 . 1 . . . . . 153 ILE HD11 . 52911 2 190 . 1 . 1 153 153 ILE HD12 H 1 1.070 0.000 . 1 . . . . . 153 ILE HD12 . 52911 2 191 . 1 . 1 153 153 ILE HD13 H 1 1.070 0.000 . 1 . . . . . 153 ILE HD13 . 52911 2 192 . 1 . 1 153 153 ILE CD1 C 13 14.273 0.000 . 1 . . . . . 153 ILE CD1 . 52911 2 193 . 1 . 1 159 159 LEU HD11 H 1 0.624 0.000 . 2 . . . . . 159 LEU HD11 . 52911 2 194 . 1 . 1 159 159 LEU HD12 H 1 0.624 0.000 . 2 . . . . . 159 LEU HD12 . 52911 2 195 . 1 . 1 159 159 LEU HD13 H 1 0.624 0.000 . 2 . . . . . 159 LEU HD13 . 52911 2 196 . 1 . 1 159 159 LEU HD21 H 1 0.401 0.000 . 2 . . . . . 159 LEU HD21 . 52911 2 197 . 1 . 1 159 159 LEU HD22 H 1 0.401 0.000 . 2 . . . . . 159 LEU HD22 . 52911 2 198 . 1 . 1 159 159 LEU HD23 H 1 0.401 0.000 . 2 . . . . . 159 LEU HD23 . 52911 2 199 . 1 . 1 159 159 LEU CD1 C 13 26.637 0.000 . 2 . . . . . 159 LEU CD1 . 52911 2 200 . 1 . 1 159 159 LEU CD2 C 13 21.948 0.000 . 2 . . . . . 159 LEU CD2 . 52911 2 201 . 1 . 1 161 161 LEU HD11 H 1 0.536 0.000 . 2 . . . . . 161 LEU HD11 . 52911 2 202 . 1 . 1 161 161 LEU HD12 H 1 0.536 0.000 . 2 . . . . . 161 LEU HD12 . 52911 2 203 . 1 . 1 161 161 LEU HD13 H 1 0.536 0.000 . 2 . . . . . 161 LEU HD13 . 52911 2 204 . 1 . 1 161 161 LEU HD21 H 1 0.725 0.000 . 2 . . . . . 161 LEU HD21 . 52911 2 205 . 1 . 1 161 161 LEU HD22 H 1 0.725 0.000 . 2 . . . . . 161 LEU HD22 . 52911 2 206 . 1 . 1 161 161 LEU HD23 H 1 0.725 0.000 . 2 . . . . . 161 LEU HD23 . 52911 2 207 . 1 . 1 161 161 LEU CD1 C 13 22.924 0.000 . 2 . . . . . 161 LEU CD1 . 52911 2 208 . 1 . 1 161 161 LEU CD2 C 13 25.864 0.000 . 2 . . . . . 161 LEU CD2 . 52911 2 209 . 1 . 1 166 166 ILE HD11 H 1 0.758 0.000 . 1 . . . . . 166 ILE HD11 . 52911 2 210 . 1 . 1 166 166 ILE HD12 H 1 0.758 0.000 . 1 . . . . . 166 ILE HD12 . 52911 2 211 . 1 . 1 166 166 ILE HD13 H 1 0.758 0.000 . 1 . . . . . 166 ILE HD13 . 52911 2 212 . 1 . 1 166 166 ILE CD1 C 13 16.304 0.000 . 1 . . . . . 166 ILE CD1 . 52911 2 213 . 1 . 1 167 167 VAL HG11 H 1 0.805 0.000 . 2 . . . . . 167 VAL HG11 . 52911 2 214 . 1 . 1 167 167 VAL HG12 H 1 0.805 0.000 . 2 . . . . . 167 VAL HG12 . 52911 2 215 . 1 . 1 167 167 VAL HG13 H 1 0.805 0.000 . 2 . . . . . 167 VAL HG13 . 52911 2 216 . 1 . 1 167 167 VAL HG21 H 1 0.728 0.000 . 2 . . . . . 167 VAL HG21 . 52911 2 217 . 1 . 1 167 167 VAL HG22 H 1 0.728 0.000 . 2 . . . . . 167 VAL HG22 . 52911 2 218 . 1 . 1 167 167 VAL HG23 H 1 0.728 0.000 . 2 . . . . . 167 VAL HG23 . 52911 2 219 . 1 . 1 167 167 VAL CG1 C 13 21.489 0.000 . 2 . . . . . 167 VAL CG1 . 52911 2 220 . 1 . 1 167 167 VAL CG2 C 13 20.957 0.000 . 2 . . . . . 167 VAL CG2 . 52911 2 221 . 1 . 1 176 176 ILE HD11 H 1 0.802 0.000 . 1 . . . . . 176 ILE HD11 . 52911 2 222 . 1 . 1 176 176 ILE HD12 H 1 0.802 0.000 . 1 . . . . . 176 ILE HD12 . 52911 2 223 . 1 . 1 176 176 ILE HD13 H 1 0.802 0.000 . 1 . . . . . 176 ILE HD13 . 52911 2 224 . 1 . 1 176 176 ILE CD1 C 13 12.875 0.000 . 1 . . . . . 176 ILE CD1 . 52911 2 stop_ save_