################################### # 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 26314 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'Assigned chemical shift of Paip2A' _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' 1 $sample_1 isotropic 26314 1 2 '3D CBCA(CO)NH' 1 $sample_1 isotropic 26314 1 3 '3D HNCO' 1 $sample_1 isotropic 26314 1 4 '3D HNCA' 1 $sample_1 isotropic 26314 1 5 '3D HNCACB' 1 $sample_1 isotropic 26314 1 6 '3D HN(CO)CA' 1 $sample_1 isotropic 26314 1 7 '3D HCACO' 1 $sample_1 isotropic 26314 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . 26314 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 2 2 PRO C C 13 183.068 0.005 . 1 . . . . . -4 PRO C . 26314 1 2 . 1 . 1 2 2 PRO CA C 13 63.244 0.040 . 1 . . . . . -4 PRO CA . 26314 1 3 . 1 . 1 2 2 PRO CB C 13 32.31 0.025 . 1 . . . . . -4 PRO CB . 26314 1 4 . 1 . 1 3 3 LEU H H 1 8.518 0.002 . 1 . . . . . -3 LEU H . 26314 1 5 . 1 . 1 3 3 LEU C C 13 184.039 0.009 . 1 . . . . . -3 LEU C . 26314 1 6 . 1 . 1 3 3 LEU CA C 13 55.672 0.186 . 1 . . . . . -3 LEU CA . 26314 1 7 . 1 . 1 3 3 LEU CB C 13 42.251 0.098 . 1 . . . . . -3 LEU CB . 26314 1 8 . 1 . 1 3 3 LEU N N 15 122.506 0.039 . 1 . . . . . -3 LEU N . 26314 1 9 . 1 . 1 4 4 GLY H H 1 8.411 0.002 . 1 . . . . . -2 GLY H . 26314 1 10 . 1 . 1 4 4 GLY C C 13 180.233 0.006 . 1 . . . . . -2 GLY C . 26314 1 11 . 1 . 1 4 4 GLY CA C 13 45.464 0.045 . 1 . . . . . -2 GLY CA . 26314 1 12 . 1 . 1 4 4 GLY N N 15 109.828 0.036 . 1 . . . . . -2 GLY N . 26314 1 13 . 1 . 1 5 5 SER H H 1 8.193 0.002 . 1 . . . . . -1 SER H . 26314 1 14 . 1 . 1 5 5 SER C C 13 180.724 0.000 . 1 . . . . . -1 SER C . 26314 1 15 . 1 . 1 5 5 SER CA C 13 58.553 0.103 . 1 . . . . . -1 SER CA . 26314 1 16 . 1 . 1 5 5 SER CB C 13 63.979 0.097 . 1 . . . . . -1 SER CB . 26314 1 17 . 1 . 1 5 5 SER N N 15 115.546 0.040 . 1 . . . . . -1 SER N . 26314 1 18 . 1 . 1 6 6 MET H H 1 8.386 0.002 . 1 . . . . . 1 MET H . 26314 1 19 . 1 . 1 6 6 MET C C 13 182.105 0.000 . 1 . . . . . 1 MET C . 26314 1 20 . 1 . 1 6 6 MET CA C 13 55.908 0.000 . 1 . . . . . 1 MET CA . 26314 1 21 . 1 . 1 6 6 MET CB C 13 32.831 0.000 . 1 . . . . . 1 MET CB . 26314 1 22 . 1 . 1 6 6 MET N N 15 122.147 0.033 . 1 . . . . . 1 MET N . 26314 1 23 . 1 . 1 9 9 PRO C C 13 183.365 0.003 . 1 . . . . . 4 PRO C . 26314 1 24 . 1 . 1 9 9 PRO CA C 13 63.826 0.027 . 1 . . . . . 4 PRO CA . 26314 1 25 . 1 . 1 9 9 PRO CB C 13 32.08 0.008 . 1 . . . . . 4 PRO CB . 26314 1 26 . 1 . 1 10 10 SER H H 1 8.448 0.002 . 1 . . . . . 5 SER H . 26314 1 27 . 1 . 1 10 10 SER C C 13 180.826 0.000 . 1 . . . . . 5 SER C . 26314 1 28 . 1 . 1 10 10 SER CA C 13 59.31 0.029 . 1 . . . . . 5 SER CA . 26314 1 29 . 1 . 1 10 10 SER CB C 13 63.672 0.082 . 1 . . . . . 5 SER CB . 26314 1 30 . 1 . 1 10 10 SER N N 15 115.493 0.034 . 1 . . . . . 5 SER N . 26314 1 31 . 1 . 1 11 11 ARG H H 1 8.028 0.002 . 1 . . . . . 6 ARG H . 26314 1 32 . 1 . 1 11 11 ARG C C 13 182.279 0.010 . 1 . . . . . 6 ARG C . 26314 1 33 . 1 . 1 11 11 ARG CA C 13 56.152 0.089 . 1 . . . . . 6 ARG CA . 26314 1 34 . 1 . 1 11 11 ARG CB C 13 30.721 0.047 . 1 . . . . . 6 ARG CB . 26314 1 35 . 1 . 1 11 11 ARG N N 15 122.39 0.020 . 1 . . . . . 6 ARG N . 26314 1 36 . 1 . 1 12 12 SER H H 1 8.258 0.003 . 1 . . . . . 7 SER H . 26314 1 37 . 1 . 1 12 12 SER C C 13 180.75 0.000 . 1 . . . . . 7 SER C . 26314 1 38 . 1 . 1 12 12 SER CA C 13 58.582 0.025 . 1 . . . . . 7 SER CA . 26314 1 39 . 1 . 1 12 12 SER CB C 13 63.953 0.070 . 1 . . . . . 7 SER CB . 26314 1 40 . 1 . 1 12 12 SER N N 15 116.702 0.033 . 1 . . . . . 7 SER N . 26314 1 41 . 1 . 1 13 13 SER H H 1 8.404 0.004 . 1 . . . . . 8 SER H . 26314 1 42 . 1 . 1 13 13 SER C C 13 180.788 0.000 . 1 . . . . . 8 SER C . 26314 1 43 . 1 . 1 13 13 SER CA C 13 58.682 0.080 . 1 . . . . . 8 SER CA . 26314 1 44 . 1 . 1 13 13 SER CB C 13 63.815 0.071 . 1 . . . . . 8 SER CB . 26314 1 45 . 1 . 1 13 13 SER N N 15 117.904 0.041 . 1 . . . . . 8 SER N . 26314 1 46 . 1 . 1 14 14 THR H H 1 8.158 0.002 . 1 . . . . . 9 THR H . 26314 1 47 . 1 . 1 14 14 THR C C 13 180.432 0.011 . 1 . . . . . 9 THR C . 26314 1 48 . 1 . 1 14 14 THR CA C 13 61.77 0.050 . 1 . . . . . 9 THR CA . 26314 1 49 . 1 . 1 14 14 THR CB C 13 69.716 0.031 . 1 . . . . . 9 THR CB . 26314 1 50 . 1 . 1 14 14 THR N N 15 115.127 0.039 . 1 . . . . . 9 THR N . 26314 1 51 . 1 . 1 15 15 SER H H 1 8.247 0.003 . 1 . . . . . 10 SER H . 26314 1 52 . 1 . 1 15 15 SER C C 13 178.717 0.000 . 1 . . . . . 10 SER C . 26314 1 53 . 1 . 1 15 15 SER CA C 13 56.664 0.000 . 1 . . . . . 10 SER CA . 26314 1 54 . 1 . 1 15 15 SER CB C 13 63.446 0.000 . 1 . . . . . 10 SER CB . 26314 1 55 . 1 . 1 15 15 SER N N 15 119.58 0.037 . 1 . . . . . 10 SER N . 26314 1 56 . 1 . 1 16 16 PRO C C 13 182.865 0.009 . 1 . . . . . 11 PRO C . 26314 1 57 . 1 . 1 16 16 PRO CA C 13 63.489 0.014 . 1 . . . . . 11 PRO CA . 26314 1 58 . 1 . 1 16 16 PRO CB C 13 32.114 0.024 . 1 . . . . . 11 PRO CB . 26314 1 59 . 1 . 1 17 17 SER H H 1 8.336 0.002 . 1 . . . . . 12 SER H . 26314 1 60 . 1 . 1 17 17 SER C C 13 180.409 0.000 . 1 . . . . . 12 SER C . 26314 1 61 . 1 . 1 17 17 SER CA C 13 58.569 0.063 . 1 . . . . . 12 SER CA . 26314 1 62 . 1 . 1 17 17 SER CB C 13 63.774 0.066 . 1 . . . . . 12 SER CB . 26314 1 63 . 1 . 1 17 17 SER N N 15 116.056 0.046 . 1 . . . . . 12 SER N . 26314 1 64 . 1 . 1 18 18 ILE H H 1 8.096 0.002 . 1 . . . . . 13 ILE H . 26314 1 65 . 1 . 1 18 18 ILE C C 13 181.993 0.013 . 1 . . . . . 13 ILE C . 26314 1 66 . 1 . 1 18 18 ILE CA C 13 61.2 0.058 . 1 . . . . . 13 ILE CA . 26314 1 67 . 1 . 1 18 18 ILE CB C 13 38.7 0.044 . 1 . . . . . 13 ILE CB . 26314 1 68 . 1 . 1 18 18 ILE N N 15 122.763 0.048 . 1 . . . . . 13 ILE N . 26314 1 69 . 1 . 1 19 19 ILE H H 1 8.176 0.002 . 1 . . . . . 14 ILE H . 26314 1 70 . 1 . 1 19 19 ILE C C 13 181.692 0.002 . 1 . . . . . 14 ILE C . 26314 1 71 . 1 . 1 19 19 ILE CA C 13 61.054 0.065 . 1 . . . . . 14 ILE CA . 26314 1 72 . 1 . 1 19 19 ILE CB C 13 38.68 0.042 . 1 . . . . . 14 ILE CB . 26314 1 73 . 1 . 1 19 19 ILE N N 15 124.749 0.034 . 1 . . . . . 14 ILE N . 26314 1 74 . 1 . 1 20 20 ASN H H 1 8.434 0.003 . 1 . . . . . 15 ASN H . 26314 1 75 . 1 . 1 20 20 ASN C C 13 181.081 0.004 . 1 . . . . . 15 ASN C . 26314 1 76 . 1 . 1 20 20 ASN CA C 13 53.332 0.030 . 1 . . . . . 15 ASN CA . 26314 1 77 . 1 . 1 20 20 ASN CB C 13 39.076 0.040 . 1 . . . . . 15 ASN CB . 26314 1 78 . 1 . 1 20 20 ASN N N 15 123.241 0.042 . 1 . . . . . 15 ASN N . 26314 1 79 . 1 . 1 21 21 GLU H H 1 8.466 0.002 . 1 . . . . . 16 GLU H . 26314 1 80 . 1 . 1 21 21 GLU C C 13 182.127 0.005 . 1 . . . . . 16 GLU C . 26314 1 81 . 1 . 1 21 21 GLU CA C 13 57.013 0.030 . 1 . . . . . 16 GLU CA . 26314 1 82 . 1 . 1 21 21 GLU CB C 13 30.186 0.017 . 1 . . . . . 16 GLU CB . 26314 1 83 . 1 . 1 21 21 GLU N N 15 121.793 0.053 . 1 . . . . . 16 GLU N . 26314 1 84 . 1 . 1 22 22 ASP H H 1 8.35 0.003 . 1 . . . . . 17 ASP H . 26314 1 85 . 1 . 1 22 22 ASP C C 13 182.242 0.011 . 1 . . . . . 17 ASP C . 26314 1 86 . 1 . 1 22 22 ASP CA C 13 54.863 0.044 . 1 . . . . . 17 ASP CA . 26314 1 87 . 1 . 1 22 22 ASP CB C 13 41.024 0.034 . 1 . . . . . 17 ASP CB . 26314 1 88 . 1 . 1 22 22 ASP N N 15 121.019 0.038 . 1 . . . . . 17 ASP N . 26314 1 89 . 1 . 1 23 23 VAL H H 1 7.906 0.001 . 1 . . . . . 18 VAL H . 26314 1 90 . 1 . 1 23 23 VAL C C 13 182.064 0.003 . 1 . . . . . 18 VAL C . 26314 1 91 . 1 . 1 23 23 VAL CA C 13 62.698 0.084 . 1 . . . . . 18 VAL CA . 26314 1 92 . 1 . 1 23 23 VAL CB C 13 32.612 0.003 . 1 . . . . . 18 VAL CB . 26314 1 93 . 1 . 1 23 23 VAL N N 15 119.812 0.036 . 1 . . . . . 18 VAL N . 26314 1 94 . 1 . 1 24 24 ILE H H 1 8.126 0.002 . 1 . . . . . 19 ILE H . 26314 1 95 . 1 . 1 24 24 ILE C C 13 182.421 0.008 . 1 . . . . . 19 ILE C . 26314 1 96 . 1 . 1 24 24 ILE CA C 13 61.247 0.070 . 1 . . . . . 19 ILE CA . 26314 1 97 . 1 . 1 24 24 ILE CB C 13 38.298 0.111 . 1 . . . . . 19 ILE CB . 26314 1 98 . 1 . 1 24 24 ILE N N 15 124.818 0.035 . 1 . . . . . 19 ILE N . 26314 1 99 . 1 . 1 25 25 ILE H H 1 8.255 0.003 . 1 . . . . . 20 ILE H . 26314 1 100 . 1 . 1 25 25 ILE C C 13 182.104 0.006 . 1 . . . . . 20 ILE C . 26314 1 101 . 1 . 1 25 25 ILE CA C 13 61.215 0.025 . 1 . . . . . 20 ILE CA . 26314 1 102 . 1 . 1 25 25 ILE CB C 13 38.475 0.052 . 1 . . . . . 20 ILE CB . 26314 1 103 . 1 . 1 25 25 ILE N N 15 125.307 0.041 . 1 . . . . . 20 ILE N . 26314 1 104 . 1 . 1 26 26 ASN H H 1 8.503 0.002 . 1 . . . . . 21 ASN H . 26314 1 105 . 1 . 1 26 26 ASN C C 13 181.653 0.005 . 1 . . . . . 21 ASN C . 26314 1 106 . 1 . 1 26 26 ASN CA C 13 53.496 0.070 . 1 . . . . . 21 ASN CA . 26314 1 107 . 1 . 1 26 26 ASN CB C 13 38.855 0.017 . 1 . . . . . 21 ASN CB . 26314 1 108 . 1 . 1 26 26 ASN N N 15 122.644 0.040 . 1 . . . . . 21 ASN N . 26314 1 109 . 1 . 1 27 27 GLY H H 1 8.3 0.003 . 1 . . . . . 22 GLY H . 26314 1 110 . 1 . 1 27 27 GLY C C 13 179.865 0.001 . 1 . . . . . 22 GLY C . 26314 1 111 . 1 . 1 27 27 GLY CA C 13 45.526 0.033 . 1 . . . . . 22 GLY CA . 26314 1 112 . 1 . 1 27 27 GLY N N 15 109.041 0.020 . 1 . . . . . 22 GLY N . 26314 1 113 . 1 . 1 28 28 HIS H H 1 8.272 0.009 . 1 . . . . . 23 HIS H . 26314 1 114 . 1 . 1 28 28 HIS C C 13 180.716 0.006 . 1 . . . . . 23 HIS C . 26314 1 115 . 1 . 1 28 28 HIS CA C 13 55.455 0.048 . 1 . . . . . 23 HIS CA . 26314 1 116 . 1 . 1 28 28 HIS CB C 13 29.611 0.091 . 1 . . . . . 23 HIS CB . 26314 1 117 . 1 . 1 28 28 HIS N N 15 118.265 0.048 . 1 . . . . . 23 HIS N . 26314 1 118 . 1 . 1 29 29 SER H H 1 8.418 0.007 . 1 . . . . . 24 SER H . 26314 1 119 . 1 . 1 29 29 SER C C 13 180.484 0.000 . 1 . . . . . 24 SER C . 26314 1 120 . 1 . 1 29 29 SER CA C 13 58.512 0.112 . 1 . . . . . 24 SER CA . 26314 1 121 . 1 . 1 29 29 SER CB C 13 63.875 0.038 . 1 . . . . . 24 SER CB . 26314 1 122 . 1 . 1 29 29 SER N N 15 117.383 0.039 . 1 . . . . . 24 SER N . 26314 1 123 . 1 . 1 30 30 HIS H H 1 8.635 0.010 . 1 . . . . . 25 HIS H . 26314 1 124 . 1 . 1 30 30 HIS C C 13 180.886 0.003 . 1 . . . . . 25 HIS C . 26314 1 125 . 1 . 1 30 30 HIS CA C 13 56.1 0.078 . 1 . . . . . 25 HIS CA . 26314 1 126 . 1 . 1 30 30 HIS CB C 13 29.209 0.108 . 1 . . . . . 25 HIS CB . 26314 1 127 . 1 . 1 30 30 HIS N N 15 120.798 0.039 . 1 . . . . . 25 HIS N . 26314 1 128 . 1 . 1 31 31 GLU H H 1 8.473 0.004 . 1 . . . . . 26 GLU H . 26314 1 129 . 1 . 1 31 31 GLU C C 13 182.212 0.074 . 1 . . . . . 26 GLU C . 26314 1 130 . 1 . 1 31 31 GLU CA C 13 57.048 0.050 . 1 . . . . . 26 GLU CA . 26314 1 131 . 1 . 1 31 31 GLU CB C 13 30.15 0.016 . 1 . . . . . 26 GLU CB . 26314 1 132 . 1 . 1 31 31 GLU N N 15 121.948 0.029 . 1 . . . . . 26 GLU N . 26314 1 133 . 1 . 1 32 32 ASP H H 1 8.33 0.006 . 1 . . . . . 27 ASP H . 26314 1 134 . 1 . 1 32 32 ASP C C 13 181.907 0.016 . 1 . . . . . 27 ASP C . 26314 1 135 . 1 . 1 32 32 ASP CA C 13 54.669 0.111 . 1 . . . . . 27 ASP CA . 26314 1 136 . 1 . 1 32 32 ASP CB C 13 41.206 0.004 . 1 . . . . . 27 ASP CB . 26314 1 137 . 1 . 1 32 32 ASP N N 15 120.65 0.130 . 1 . . . . . 27 ASP N . 26314 1 138 . 1 . 1 33 33 ASP H H 1 8.146 0.003 . 1 . . . . . 28 ASP H . 26314 1 139 . 1 . 1 33 33 ASP C C 13 181.679 0.005 . 1 . . . . . 28 ASP C . 26314 1 140 . 1 . 1 33 33 ASP CA C 13 54.489 0.026 . 1 . . . . . 28 ASP CA . 26314 1 141 . 1 . 1 33 33 ASP CB C 13 41.047 0.025 . 1 . . . . . 28 ASP CB . 26314 1 142 . 1 . 1 33 33 ASP N N 15 120.232 0.044 . 1 . . . . . 28 ASP N . 26314 1 143 . 1 . 1 34 34 ASN H H 1 8.277 0.002 . 1 . . . . . 29 ASN H . 26314 1 144 . 1 . 1 34 34 ASN C C 13 179.704 0.000 . 1 . . . . . 29 ASN C . 26314 1 145 . 1 . 1 34 34 ASN CA C 13 51.238 0.033 . 1 . . . . . 29 ASN CA . 26314 1 146 . 1 . 1 34 34 ASN CB C 13 39.09 0.000 . 1 . . . . . 29 ASN CB . 26314 1 147 . 1 . 1 34 34 ASN N N 15 119.273 0.039 . 1 . . . . . 29 ASN N . 26314 1 148 . 1 . 1 35 35 PRO C C 13 182.844 0.005 . 1 . . . . . 30 PRO C . 26314 1 149 . 1 . 1 35 35 PRO CA C 13 63.737 0.003 . 1 . . . . . 30 PRO CA . 26314 1 150 . 1 . 1 35 35 PRO CB C 13 31.864 0.013 . 1 . . . . . 30 PRO CB . 26314 1 151 . 1 . 1 36 36 PHE H H 1 8.037 0.002 . 1 . . . . . 31 PHE H . 26314 1 152 . 1 . 1 36 36 PHE C C 13 181.661 0.002 . 1 . . . . . 31 PHE C . 26314 1 153 . 1 . 1 36 36 PHE CA C 13 57.509 0.007 . 1 . . . . . 31 PHE CA . 26314 1 154 . 1 . 1 36 36 PHE CB C 13 38.891 0.016 . 1 . . . . . 31 PHE CB . 26314 1 155 . 1 . 1 36 36 PHE N N 15 118.725 0.024 . 1 . . . . . 31 PHE N . 26314 1 156 . 1 . 1 37 37 ALA H H 1 7.738 0.002 . 1 . . . . . 32 ALA H . 26314 1 157 . 1 . 1 37 37 ALA C C 13 183.513 0.003 . 1 . . . . . 32 ALA C . 26314 1 158 . 1 . 1 37 37 ALA CA C 13 53.027 0.038 . 1 . . . . . 32 ALA CA . 26314 1 159 . 1 . 1 37 37 ALA CB C 13 19.348 0.034 . 1 . . . . . 32 ALA CB . 26314 1 160 . 1 . 1 37 37 ALA N N 15 124.651 0.035 . 1 . . . . . 32 ALA N . 26314 1 161 . 1 . 1 38 38 GLU H H 1 8.229 0.002 . 1 . . . . . 33 GLU H . 26314 1 162 . 1 . 1 38 38 GLU C C 13 182.239 0.005 . 1 . . . . . 33 GLU C . 26314 1 163 . 1 . 1 38 38 GLU CA C 13 56.932 0.026 . 1 . . . . . 33 GLU CA . 26314 1 164 . 1 . 1 38 38 GLU CB C 13 30.094 0.026 . 1 . . . . . 33 GLU CB . 26314 1 165 . 1 . 1 38 38 GLU N N 15 119.145 0.049 . 1 . . . . . 33 GLU N . 26314 1 166 . 1 . 1 39 39 TYR H H 1 7.958 0.005 . 1 . . . . . 34 TYR H . 26314 1 167 . 1 . 1 39 39 TYR C C 13 181.755 0.003 . 1 . . . . . 34 TYR C . 26314 1 168 . 1 . 1 39 39 TYR CA C 13 57.936 0.075 . 1 . . . . . 34 TYR CA . 26314 1 169 . 1 . 1 39 39 TYR CB C 13 38.541 0.017 . 1 . . . . . 34 TYR CB . 26314 1 170 . 1 . 1 39 39 TYR N N 15 120.014 0.038 . 1 . . . . . 34 TYR N . 26314 1 171 . 1 . 1 40 40 MET H H 1 7.987 0.003 . 1 . . . . . 35 MET H . 26314 1 172 . 1 . 1 40 40 MET C C 13 181.537 0.005 . 1 . . . . . 35 MET C . 26314 1 173 . 1 . 1 40 40 MET CA C 13 55.756 0.077 . 1 . . . . . 35 MET CA . 26314 1 174 . 1 . 1 40 40 MET CB C 13 32.572 0.028 . 1 . . . . . 35 MET CB . 26314 1 175 . 1 . 1 40 40 MET N N 15 121.989 0.044 . 1 . . . . . 35 MET N . 26314 1 176 . 1 . 1 41 41 TRP H H 1 7.899 0.005 . 1 . . . . . 36 TRP H . 26314 1 177 . 1 . 1 41 41 TRP C C 13 182.099 0.006 . 1 . . . . . 36 TRP C . 26314 1 178 . 1 . 1 41 41 TRP CA C 13 57.49 0.043 . 1 . . . . . 36 TRP CA . 26314 1 179 . 1 . 1 41 41 TRP CB C 13 29.261 0.050 . 1 . . . . . 36 TRP CB . 26314 1 180 . 1 . 1 41 41 TRP N N 15 121.614 0.062 . 1 . . . . . 36 TRP N . 26314 1 181 . 1 . 1 42 42 MET H H 1 7.905 0.004 . 1 . . . . . 37 MET H . 26314 1 182 . 1 . 1 42 42 MET C C 13 181.774 0.010 . 1 . . . . . 37 MET C . 26314 1 183 . 1 . 1 42 42 MET CA C 13 55.692 0.093 . 1 . . . . . 37 MET CA . 26314 1 184 . 1 . 1 42 42 MET CB C 13 33.097 0.033 . 1 . . . . . 37 MET CB . 26314 1 185 . 1 . 1 42 42 MET N N 15 121.842 0.065 . 1 . . . . . 37 MET N . 26314 1 186 . 1 . 1 43 43 GLU H H 1 8.182 0.002 . 1 . . . . . 38 GLU H . 26314 1 187 . 1 . 1 43 43 GLU C C 13 182.204 0.004 . 1 . . . . . 38 GLU C . 26314 1 188 . 1 . 1 43 43 GLU CA C 13 56.997 0.013 . 1 . . . . . 38 GLU CA . 26314 1 189 . 1 . 1 43 43 GLU CB C 13 30.092 0.025 . 1 . . . . . 38 GLU CB . 26314 1 190 . 1 . 1 43 43 GLU N N 15 121.352 0.106 . 1 . . . . . 38 GLU N . 26314 1 191 . 1 . 1 44 44 ASN H H 1 8.337 0.007 . 1 . . . . . 39 ASN H . 26314 1 192 . 1 . 1 44 44 ASN C C 13 181.261 0.001 . 1 . . . . . 39 ASN C . 26314 1 193 . 1 . 1 44 44 ASN CA C 13 53.387 0.053 . 1 . . . . . 39 ASN CA . 26314 1 194 . 1 . 1 44 44 ASN CB C 13 39.034 0.008 . 1 . . . . . 39 ASN CB . 26314 1 195 . 1 . 1 44 44 ASN N N 15 118.997 0.046 . 1 . . . . . 39 ASN N . 26314 1 196 . 1 . 1 45 45 GLU H H 1 8.405 0.003 . 1 . . . . . 40 GLU H . 26314 1 197 . 1 . 1 45 45 GLU C C 13 182.82 0.000 . 1 . . . . . 40 GLU C . 26314 1 198 . 1 . 1 45 45 GLU CA C 13 57.315 0.045 . 1 . . . . . 40 GLU CA . 26314 1 199 . 1 . 1 45 45 GLU N N 15 121.808 0.046 . 1 . . . . . 40 GLU N . 26314 1 200 . 1 . 1 47 47 GLU C C 13 182.686 0.008 . 1 . . . . . 42 GLU C . 26314 1 201 . 1 . 1 47 47 GLU CA C 13 57.169 0.062 . 1 . . . . . 42 GLU CA . 26314 1 202 . 1 . 1 47 47 GLU CB C 13 30.074 0.032 . 1 . . . . . 42 GLU CB . 26314 1 203 . 1 . 1 48 48 PHE H H 1 8.072 0.002 . 1 . . . . . 43 PHE H . 26314 1 204 . 1 . 1 48 48 PHE C C 13 181.793 0.001 . 1 . . . . . 43 PHE C . 26314 1 205 . 1 . 1 48 48 PHE CA C 13 58.409 0.099 . 1 . . . . . 43 PHE CA . 26314 1 206 . 1 . 1 48 48 PHE CB C 13 39.398 0.009 . 1 . . . . . 43 PHE CB . 26314 1 207 . 1 . 1 48 48 PHE N N 15 120.494 0.036 . 1 . . . . . 43 PHE N . 26314 1 208 . 1 . 1 49 49 ASN H H 1 8.274 0.002 . 1 . . . . . 44 ASN H . 26314 1 209 . 1 . 1 49 49 ASN C C 13 181.176 0.012 . 1 . . . . . 44 ASN C . 26314 1 210 . 1 . 1 49 49 ASN CA C 13 53.463 0.058 . 1 . . . . . 44 ASN CA . 26314 1 211 . 1 . 1 49 49 ASN CB C 13 38.754 0.051 . 1 . . . . . 44 ASN CB . 26314 1 212 . 1 . 1 49 49 ASN N N 15 119.949 0.047 . 1 . . . . . 44 ASN N . 26314 1 213 . 1 . 1 50 50 ARG H H 1 8.069 0.002 . 1 . . . . . 45 ARG H . 26314 1 214 . 1 . 1 50 50 ARG N N 15 121.588 0.035 . 1 . . . . . 45 ARG N . 26314 1 215 . 1 . 1 51 51 GLN C C 13 182.225 0.004 . 1 . . . . . 46 GLN C . 26314 1 216 . 1 . 1 51 51 GLN CA C 13 56.257 0.085 . 1 . . . . . 46 GLN CA . 26314 1 217 . 1 . 1 51 51 GLN CB C 13 29.358 0.000 . 1 . . . . . 46 GLN CB . 26314 1 218 . 1 . 1 52 52 ILE H H 1 8.072 0.001 . 1 . . . . . 47 ILE H . 26314 1 219 . 1 . 1 52 52 ILE C C 13 182.499 0.009 . 1 . . . . . 47 ILE C . 26314 1 220 . 1 . 1 52 52 ILE CA C 13 61.7 0.048 . 1 . . . . . 47 ILE CA . 26314 1 221 . 1 . 1 52 52 ILE CB C 13 38.639 0.044 . 1 . . . . . 47 ILE CB . 26314 1 222 . 1 . 1 52 52 ILE N N 15 121.815 0.038 . 1 . . . . . 47 ILE N . 26314 1 223 . 1 . 1 53 53 GLU H H 1 8.364 0.013 . 1 . . . . . 48 GLU H . 26314 1 224 . 1 . 1 53 53 GLU C C 13 182.68 0.000 . 1 . . . . . 48 GLU C . 26314 1 225 . 1 . 1 53 53 GLU CA C 13 57.058 0.032 . 1 . . . . . 48 GLU CA . 26314 1 226 . 1 . 1 53 53 GLU CB C 13 30.013 0.000 . 1 . . . . . 48 GLU CB . 26314 1 227 . 1 . 1 53 53 GLU N N 15 124.242 0.109 . 1 . . . . . 48 GLU N . 26314 1 228 . 1 . 1 55 55 GLU C C 13 182.365 0.001 . 1 . . . . . 50 GLU C . 26314 1 229 . 1 . 1 55 55 GLU CA C 13 56.838 0.023 . 1 . . . . . 50 GLU CA . 26314 1 230 . 1 . 1 55 55 GLU CB C 13 30.034 0.010 . 1 . . . . . 50 GLU CB . 26314 1 231 . 1 . 1 56 56 LEU H H 1 8.115 0.007 . 1 . . . . . 51 LEU H . 26314 1 232 . 1 . 1 56 56 LEU C C 13 183.129 0.018 . 1 . . . . . 51 LEU C . 26314 1 233 . 1 . 1 56 56 LEU CA C 13 55.368 0.062 . 1 . . . . . 51 LEU CA . 26314 1 234 . 1 . 1 56 56 LEU CB C 13 42.263 0.078 . 1 . . . . . 51 LEU CB . 26314 1 235 . 1 . 1 56 56 LEU N N 15 122.77 0.081 . 1 . . . . . 51 LEU N . 26314 1 236 . 1 . 1 57 57 TRP H H 1 8.098 0.009 . 1 . . . . . 52 TRP H . 26314 1 237 . 1 . 1 57 57 TRP C C 13 182.229 0.005 . 1 . . . . . 52 TRP C . 26314 1 238 . 1 . 1 57 57 TRP CA C 13 57.501 0.070 . 1 . . . . . 52 TRP CA . 26314 1 239 . 1 . 1 57 57 TRP CB C 13 29.713 0.097 . 1 . . . . . 52 TRP CB . 26314 1 240 . 1 . 1 57 57 TRP N N 15 122.158 0.139 . 1 . . . . . 52 TRP N . 26314 1 241 . 1 . 1 58 58 GLU H H 1 8.133 0.005 . 1 . . . . . 53 GLU H . 26314 1 242 . 1 . 1 58 58 GLU CA C 13 56.957 0.000 . 1 . . . . . 53 GLU CA . 26314 1 243 . 1 . 1 58 58 GLU CB C 13 30.215 0.000 . 1 . . . . . 53 GLU CB . 26314 1 244 . 1 . 1 58 58 GLU N N 15 122.438 0.088 . 1 . . . . . 53 GLU N . 26314 1 245 . 1 . 1 60 60 GLU C C 13 182.369 0.006 . 1 . . . . . 55 GLU C . 26314 1 246 . 1 . 1 60 60 GLU CA C 13 56.947 0.114 . 1 . . . . . 55 GLU CA . 26314 1 247 . 1 . 1 60 60 GLU CB C 13 30.213 0.000 . 1 . . . . . 55 GLU CB . 26314 1 248 . 1 . 1 61 61 PHE H H 1 8.234 0.012 . 1 . . . . . 56 PHE H . 26314 1 249 . 1 . 1 61 61 PHE C C 13 181.702 0.016 . 1 . . . . . 56 PHE C . 26314 1 250 . 1 . 1 61 61 PHE CA C 13 58.444 0.148 . 1 . . . . . 56 PHE CA . 26314 1 251 . 1 . 1 61 61 PHE CB C 13 39.201 0.156 . 1 . . . . . 56 PHE CB . 26314 1 252 . 1 . 1 61 61 PHE N N 15 121.541 0.061 . 1 . . . . . 56 PHE N . 26314 1 253 . 1 . 1 62 62 ILE H H 1 7.892 0.006 . 1 . . . . . 57 ILE H . 26314 1 254 . 1 . 1 62 62 ILE C C 13 181.993 0.005 . 1 . . . . . 57 ILE C . 26314 1 255 . 1 . 1 62 62 ILE CA C 13 61.564 0.098 . 1 . . . . . 57 ILE CA . 26314 1 256 . 1 . 1 62 62 ILE CB C 13 38.778 0.000 . 1 . . . . . 57 ILE CB . 26314 1 257 . 1 . 1 62 62 ILE N N 15 123.164 0.130 . 1 . . . . . 57 ILE N . 26314 1 258 . 1 . 1 63 63 GLU H H 1 8.292 0.010 . 1 . . . . . 58 GLU H . 26314 1 259 . 1 . 1 63 63 GLU C C 13 182.684 0.020 . 1 . . . . . 58 GLU C . 26314 1 260 . 1 . 1 63 63 GLU CA C 13 57.336 0.156 . 1 . . . . . 58 GLU CA . 26314 1 261 . 1 . 1 63 63 GLU CB C 13 29.992 0.061 . 1 . . . . . 58 GLU CB . 26314 1 262 . 1 . 1 63 63 GLU N N 15 124.243 0.210 . 1 . . . . . 58 GLU N . 26314 1 263 . 1 . 1 64 64 ARG H H 1 8.27 0.009 . 1 . . . . . 59 ARG H . 26314 1 264 . 1 . 1 64 64 ARG C C 13 182.422 0.008 . 1 . . . . . 59 ARG C . 26314 1 265 . 1 . 1 64 64 ARG CA C 13 56.54 0.092 . 1 . . . . . 59 ARG CA . 26314 1 266 . 1 . 1 64 64 ARG CB C 13 30.683 0.107 . 1 . . . . . 59 ARG CB . 26314 1 267 . 1 . 1 64 64 ARG N N 15 122.451 0.051 . 1 . . . . . 59 ARG N . 26314 1 268 . 1 . 1 65 65 CYS H H 1 8.287 0.004 . 1 . . . . . 60 CYS H . 26314 1 269 . 1 . 1 65 65 CYS C C 13 180.692 0.005 . 1 . . . . . 60 CYS C . 26314 1 270 . 1 . 1 65 65 CYS CA C 13 59.017 0.128 . 1 . . . . . 60 CYS CA . 26314 1 271 . 1 . 1 65 65 CYS CB C 13 27.77 0.000 . 1 . . . . . 60 CYS CB . 26314 1 272 . 1 . 1 65 65 CYS N N 15 119.826 0.082 . 1 . . . . . 60 CYS N . 26314 1 273 . 1 . 1 66 66 PHE H H 1 8.272 0.002 . 1 . . . . . 61 PHE H . 26314 1 274 . 1 . 1 66 66 PHE C C 13 182.138 0.000 . 1 . . . . . 61 PHE C . 26314 1 275 . 1 . 1 66 66 PHE CA C 13 58.393 0.065 . 1 . . . . . 61 PHE CA . 26314 1 276 . 1 . 1 66 66 PHE CB C 13 39.348 0.024 . 1 . . . . . 61 PHE CB . 26314 1 277 . 1 . 1 66 66 PHE N N 15 122.592 0.036 . 1 . . . . . 61 PHE N . 26314 1 278 . 1 . 1 67 67 GLN H H 1 8.177 0.001 . 1 . . . . . 62 GLN H . 26314 1 279 . 1 . 1 67 67 GLN CA C 13 56.21 0.000 . 1 . . . . . 62 GLN CA . 26314 1 280 . 1 . 1 67 67 GLN N N 15 121.637 0.074 . 1 . . . . . 62 GLN N . 26314 1 281 . 1 . 1 70 70 LEU H H 1 8.193 0.013 . 1 . . . . . 65 LEU H . 26314 1 282 . 1 . 1 70 70 LEU C C 13 183.445 0.000 . 1 . . . . . 65 LEU C . 26314 1 283 . 1 . 1 70 70 LEU CA C 13 55.598 0.000 . 1 . . . . . 65 LEU CA . 26314 1 284 . 1 . 1 70 70 LEU CB C 13 42.39 0.000 . 1 . . . . . 65 LEU CB . 26314 1 285 . 1 . 1 70 70 LEU N N 15 123.62 0.086 . 1 . . . . . 65 LEU N . 26314 1 286 . 1 . 1 75 75 GLU C C 13 182.188 0.007 . 1 . . . . . 70 GLU C . 26314 1 287 . 1 . 1 75 75 GLU CA C 13 56.625 0.014 . 1 . . . . . 70 GLU CA . 26314 1 288 . 1 . 1 75 75 GLU CB C 13 30.183 0.000 . 1 . . . . . 70 GLU CB . 26314 1 289 . 1 . 1 76 76 HIS H H 1 8.356 0.002 . 1 . . . . . 71 HIS H . 26314 1 290 . 1 . 1 76 76 HIS C C 13 180.356 0.005 . 1 . . . . . 71 HIS C . 26314 1 291 . 1 . 1 76 76 HIS CA C 13 55.136 0.069 . 1 . . . . . 71 HIS CA . 26314 1 292 . 1 . 1 76 76 HIS CB C 13 29.461 0.150 . 1 . . . . . 71 HIS CB . 26314 1 293 . 1 . 1 76 76 HIS N N 15 119.727 0.102 . 1 . . . . . 71 HIS N . 26314 1 294 . 1 . 1 77 77 GLU H H 1 8.486 0.004 . 1 . . . . . 72 GLU H . 26314 1 295 . 1 . 1 77 77 GLU C C 13 181.934 0.005 . 1 . . . . . 72 GLU C . 26314 1 296 . 1 . 1 77 77 GLU CA C 13 56.797 0.083 . 1 . . . . . 72 GLU CA . 26314 1 297 . 1 . 1 77 77 GLU CB C 13 29.836 0.165 . 1 . . . . . 72 GLU CB . 26314 1 298 . 1 . 1 77 77 GLU N N 15 122.279 0.040 . 1 . . . . . 72 GLU N . 26314 1 299 . 1 . 1 78 78 TRP H H 1 8.062 0.002 . 1 . . . . . 73 TRP H . 26314 1 300 . 1 . 1 78 78 TRP C C 13 181.514 0.011 . 1 . . . . . 73 TRP C . 26314 1 301 . 1 . 1 78 78 TRP CA C 13 57.025 0.213 . 1 . . . . . 73 TRP CA . 26314 1 302 . 1 . 1 78 78 TRP CB C 13 29.744 0.111 . 1 . . . . . 73 TRP CB . 26314 1 303 . 1 . 1 78 78 TRP N N 15 121.678 0.062 . 1 . . . . . 73 TRP N . 26314 1 304 . 1 . 1 79 79 PHE H H 1 7.922 0.003 . 1 . . . . . 74 PHE H . 26314 1 305 . 1 . 1 79 79 PHE C C 13 180.466 0.005 . 1 . . . . . 74 PHE C . 26314 1 306 . 1 . 1 79 79 PHE CA C 13 57.564 0.028 . 1 . . . . . 74 PHE CA . 26314 1 307 . 1 . 1 79 79 PHE CB C 13 39.624 0.145 . 1 . . . . . 74 PHE CB . 26314 1 308 . 1 . 1 79 79 PHE N N 15 121.943 0.031 . 1 . . . . . 74 PHE N . 26314 1 309 . 1 . 1 80 80 ILE H H 1 7.966 0.003 . 1 . . . . . 75 ILE H . 26314 1 310 . 1 . 1 80 80 ILE C C 13 179.947 0.000 . 1 . . . . . 75 ILE C . 26314 1 311 . 1 . 1 80 80 ILE CA C 13 58.217 0.026 . 1 . . . . . 75 ILE CA . 26314 1 312 . 1 . 1 80 80 ILE CB C 13 38.857 0.000 . 1 . . . . . 75 ILE CB . 26314 1 313 . 1 . 1 80 80 ILE N N 15 125.796 0.028 . 1 . . . . . 75 ILE N . 26314 1 314 . 1 . 1 81 81 PRO C C 13 182.525 0.002 . 1 . . . . . 76 PRO C . 26314 1 315 . 1 . 1 81 81 PRO CA C 13 63.217 0.043 . 1 . . . . . 76 PRO CA . 26314 1 316 . 1 . 1 81 81 PRO CB C 13 32.095 0.016 . 1 . . . . . 76 PRO CB . 26314 1 317 . 1 . 1 82 82 ALA H H 1 8.299 0.003 . 1 . . . . . 77 ALA H . 26314 1 318 . 1 . 1 82 82 ALA C C 13 183.941 0.001 . 1 . . . . . 77 ALA C . 26314 1 319 . 1 . 1 82 82 ALA CA C 13 52.832 0.077 . 1 . . . . . 77 ALA CA . 26314 1 320 . 1 . 1 82 82 ALA CB C 13 19.084 0.079 . 1 . . . . . 77 ALA CB . 26314 1 321 . 1 . 1 82 82 ALA N N 15 123.895 0.033 . 1 . . . . . 77 ALA N . 26314 1 322 . 1 . 1 83 83 ARG H H 1 8.21 0.003 . 1 . . . . . 78 ARG H . 26314 1 323 . 1 . 1 83 83 ARG C C 13 181.915 0.013 . 1 . . . . . 78 ARG C . 26314 1 324 . 1 . 1 83 83 ARG CA C 13 56.218 0.137 . 1 . . . . . 78 ARG CA . 26314 1 325 . 1 . 1 83 83 ARG CB C 13 31.059 0.030 . 1 . . . . . 78 ARG CB . 26314 1 326 . 1 . 1 83 83 ARG N N 15 119.645 0.046 . 1 . . . . . 78 ARG N . 26314 1 327 . 1 . 1 84 84 ASP H H 1 8.29 0.002 . 1 . . . . . 79 ASP H . 26314 1 328 . 1 . 1 84 84 ASP C C 13 181.741 0.002 . 1 . . . . . 79 ASP C . 26314 1 329 . 1 . 1 84 84 ASP CA C 13 54.383 0.081 . 1 . . . . . 79 ASP CA . 26314 1 330 . 1 . 1 84 84 ASP CB C 13 41.165 0.050 . 1 . . . . . 79 ASP CB . 26314 1 331 . 1 . 1 84 84 ASP N N 15 120.726 0.067 . 1 . . . . . 79 ASP N . 26314 1 332 . 1 . 1 85 85 LEU H H 1 8.048 0.003 . 1 . . . . . 80 LEU H . 26314 1 333 . 1 . 1 85 85 LEU C C 13 181.245 0.000 . 1 . . . . . 80 LEU C . 26314 1 334 . 1 . 1 85 85 LEU CA C 13 53.208 0.021 . 1 . . . . . 80 LEU CA . 26314 1 335 . 1 . 1 85 85 LEU CB C 13 41.61 0.000 . 1 . . . . . 80 LEU CB . 26314 1 336 . 1 . 1 85 85 LEU N N 15 123.419 0.036 . 1 . . . . . 80 LEU N . 26314 1 337 . 1 . 1 86 86 PRO C C 13 182.992 0.004 . 1 . . . . . 81 PRO C . 26314 1 338 . 1 . 1 86 86 PRO CA C 13 63.309 0.036 . 1 . . . . . 81 PRO CA . 26314 1 339 . 1 . 1 86 86 PRO CB C 13 31.995 0.003 . 1 . . . . . 81 PRO CB . 26314 1 340 . 1 . 1 87 87 GLN H H 1 8.523 0.002 . 1 . . . . . 82 GLN H . 26314 1 341 . 1 . 1 87 87 GLN C C 13 182.369 0.006 . 1 . . . . . 82 GLN C . 26314 1 342 . 1 . 1 87 87 GLN CA C 13 56.019 0.088 . 1 . . . . . 82 GLN CA . 26314 1 343 . 1 . 1 87 87 GLN CB C 13 29.659 0.011 . 1 . . . . . 82 GLN CB . 26314 1 344 . 1 . 1 87 87 GLN N N 15 120.709 0.033 . 1 . . . . . 82 GLN N . 26314 1 345 . 1 . 1 88 88 THR H H 1 8.179 0.003 . 1 . . . . . 83 THR H . 26314 1 346 . 1 . 1 88 88 THR C C 13 180.73 0.011 . 1 . . . . . 83 THR C . 26314 1 347 . 1 . 1 88 88 THR CA C 13 61.881 0.031 . 1 . . . . . 83 THR CA . 26314 1 348 . 1 . 1 88 88 THR CB C 13 69.884 0.016 . 1 . . . . . 83 THR CB . 26314 1 349 . 1 . 1 88 88 THR N N 15 115.102 0.037 . 1 . . . . . 83 THR N . 26314 1 350 . 1 . 1 89 89 MET H H 1 8.452 0.002 . 1 . . . . . 84 MET H . 26314 1 351 . 1 . 1 89 89 MET C C 13 182.092 0.004 . 1 . . . . . 84 MET C . 26314 1 352 . 1 . 1 89 89 MET CA C 13 55.789 0.096 . 1 . . . . . 84 MET CA . 26314 1 353 . 1 . 1 89 89 MET CB C 13 32.708 0.076 . 1 . . . . . 84 MET CB . 26314 1 354 . 1 . 1 89 89 MET N N 15 122.253 0.020 . 1 . . . . . 84 MET N . 26314 1 355 . 1 . 1 90 90 ASP H H 1 8.325 0.003 . 1 . . . . . 85 ASP H . 26314 1 356 . 1 . 1 90 90 ASP N N 15 121.103 0.038 . 1 . . . . . 85 ASP N . 26314 1 357 . 1 . 1 93 93 GLN CA C 13 56.9 0.165 . 1 . . . . . 88 GLN CA . 26314 1 358 . 1 . 1 93 93 GLN CB C 13 30.107 0.000 . 1 . . . . . 88 GLN CB . 26314 1 359 . 1 . 1 94 94 ASP H H 1 8.314 0.003 . 1 . . . . . 89 ASP H . 26314 1 360 . 1 . 1 94 94 ASP C C 13 182.216 0.002 . 1 . . . . . 89 ASP C . 26314 1 361 . 1 . 1 94 94 ASP CA C 13 54.784 0.040 . 1 . . . . . 89 ASP CA . 26314 1 362 . 1 . 1 94 94 ASP CB C 13 41.155 0.028 . 1 . . . . . 89 ASP CB . 26314 1 363 . 1 . 1 94 94 ASP N N 15 121.654 0.089 . 1 . . . . . 89 ASP N . 26314 1 364 . 1 . 1 95 95 GLN H H 1 8.198 0.002 . 1 . . . . . 90 GLN H . 26314 1 365 . 1 . 1 95 95 GLN C C 13 181.811 0.009 . 1 . . . . . 90 GLN C . 26314 1 366 . 1 . 1 95 95 GLN CA C 13 56.248 0.085 . 1 . . . . . 90 GLN CA . 26314 1 367 . 1 . 1 95 95 GLN CB C 13 29.403 0.027 . 1 . . . . . 90 GLN CB . 26314 1 368 . 1 . 1 95 95 GLN N N 15 119.946 0.029 . 1 . . . . . 90 GLN N . 26314 1 369 . 1 . 1 96 96 PHE H H 1 8.261 0.003 . 1 . . . . . 91 PHE H . 26314 1 370 . 1 . 1 96 96 PHE C C 13 181.615 0.006 . 1 . . . . . 91 PHE C . 26314 1 371 . 1 . 1 96 96 PHE CA C 13 57.932 0.070 . 1 . . . . . 91 PHE CA . 26314 1 372 . 1 . 1 96 96 PHE CB C 13 39.347 0.028 . 1 . . . . . 91 PHE CB . 26314 1 373 . 1 . 1 96 96 PHE N N 15 120.511 0.120 . 1 . . . . . 91 PHE N . 26314 1 374 . 1 . 1 97 97 ASN H H 1 8.214 0.002 . 1 . . . . . 92 ASN H . 26314 1 375 . 1 . 1 97 97 ASN C C 13 180.711 0.014 . 1 . . . . . 92 ASN C . 26314 1 376 . 1 . 1 97 97 ASN CA C 13 53.498 0.041 . 1 . . . . . 92 ASN CA . 26314 1 377 . 1 . 1 97 97 ASN CB C 13 39.224 0.014 . 1 . . . . . 92 ASN CB . 26314 1 378 . 1 . 1 97 97 ASN N N 15 120.182 0.042 . 1 . . . . . 92 ASN N . 26314 1 379 . 1 . 1 98 98 ASP H H 1 8.239 0.004 . 1 . . . . . 93 ASP H . 26314 1 380 . 1 . 1 98 98 ASP C C 13 181.969 0.003 . 1 . . . . . 93 ASP C . 26314 1 381 . 1 . 1 98 98 ASP CA C 13 54.652 0.093 . 1 . . . . . 93 ASP CA . 26314 1 382 . 1 . 1 98 98 ASP CB C 13 41.053 0.032 . 1 . . . . . 93 ASP CB . 26314 1 383 . 1 . 1 98 98 ASP N N 15 120.612 0.075 . 1 . . . . . 93 ASP N . 26314 1 384 . 1 . 1 99 99 LEU H H 1 8.011 0.004 . 1 . . . . . 94 LEU H . 26314 1 385 . 1 . 1 99 99 LEU C C 13 183.131 0.006 . 1 . . . . . 94 LEU C . 26314 1 386 . 1 . 1 99 99 LEU CA C 13 55.479 0.055 . 1 . . . . . 94 LEU CA . 26314 1 387 . 1 . 1 99 99 LEU CB C 13 42.395 0.030 . 1 . . . . . 94 LEU CB . 26314 1 388 . 1 . 1 99 99 LEU N N 15 121.758 0.036 . 1 . . . . . 94 LEU N . 26314 1 389 . 1 . 1 100 100 VAL H H 1 8.077 0.003 . 1 . . . . . 95 VAL H . 26314 1 390 . 1 . 1 100 100 VAL C C 13 182.038 0.007 . 1 . . . . . 95 VAL C . 26314 1 391 . 1 . 1 100 100 VAL CA C 13 62.546 0.075 . 1 . . . . . 95 VAL CA . 26314 1 392 . 1 . 1 100 100 VAL CB C 13 32.573 0.017 . 1 . . . . . 95 VAL CB . 26314 1 393 . 1 . 1 100 100 VAL N N 15 122.289 0.053 . 1 . . . . . 95 VAL N . 26314 1 394 . 1 . 1 101 101 ILE H H 1 8.274 0.002 . 1 . . . . . 96 ILE H . 26314 1 395 . 1 . 1 101 101 ILE C C 13 182.274 0.008 . 1 . . . . . 96 ILE C . 26314 1 396 . 1 . 1 101 101 ILE CA C 13 60.95 0.076 . 1 . . . . . 96 ILE CA . 26314 1 397 . 1 . 1 101 101 ILE CB C 13 38.566 0.025 . 1 . . . . . 96 ILE CB . 26314 1 398 . 1 . 1 101 101 ILE N N 15 125.619 0.043 . 1 . . . . . 96 ILE N . 26314 1 399 . 1 . 1 102 102 SER H H 1 8.419 0.002 . 1 . . . . . 97 SER H . 26314 1 400 . 1 . 1 102 102 SER C C 13 180.338 0.016 . 1 . . . . . 97 SER C . 26314 1 401 . 1 . 1 102 102 SER CA C 13 58.204 0.067 . 1 . . . . . 97 SER CA . 26314 1 402 . 1 . 1 102 102 SER CB C 13 63.998 0.070 . 1 . . . . . 97 SER CB . 26314 1 403 . 1 . 1 102 102 SER N N 15 120.491 0.040 . 1 . . . . . 97 SER N . 26314 1 404 . 1 . 1 103 103 ASP H H 1 8.385 0.002 . 1 . . . . . 98 ASP H . 26314 1 405 . 1 . 1 103 103 ASP C C 13 182.955 0.001 . 1 . . . . . 98 ASP C . 26314 1 406 . 1 . 1 103 103 ASP CA C 13 54.429 0.036 . 1 . . . . . 98 ASP CA . 26314 1 407 . 1 . 1 103 103 ASP CB C 13 41.15 0.009 . 1 . . . . . 98 ASP CB . 26314 1 408 . 1 . 1 103 103 ASP N N 15 123.008 0.084 . 1 . . . . . 98 ASP N . 26314 1 409 . 1 . 1 104 104 GLY H H 1 8.442 0.002 . 1 . . . . . 99 GLY H . 26314 1 410 . 1 . 1 104 104 GLY C C 13 180.7 0.007 . 1 . . . . . 99 GLY C . 26314 1 411 . 1 . 1 104 104 GLY CA C 13 45.652 0.038 . 1 . . . . . 99 GLY CA . 26314 1 412 . 1 . 1 104 104 GLY N N 15 109.726 0.033 . 1 . . . . . 99 GLY N . 26314 1 413 . 1 . 1 105 105 SER H H 1 8.244 0.002 . 1 . . . . . 100 SER H . 26314 1 414 . 1 . 1 105 105 SER C C 13 180.686 0.013 . 1 . . . . . 100 SER C . 26314 1 415 . 1 . 1 105 105 SER CA C 13 58.933 0.157 . 1 . . . . . 100 SER CA . 26314 1 416 . 1 . 1 105 105 SER CB C 13 64.027 0.071 . 1 . . . . . 100 SER CB . 26314 1 417 . 1 . 1 105 105 SER N N 15 116.168 0.041 . 1 . . . . . 100 SER N . 26314 1 418 . 1 . 1 106 106 SER H H 1 8.435 0.003 . 1 . . . . . 101 SER H . 26314 1 419 . 1 . 1 106 106 SER C C 13 180.876 0.000 . 1 . . . . . 101 SER C . 26314 1 420 . 1 . 1 106 106 SER CA C 13 58.437 0.115 . 1 . . . . . 101 SER CA . 26314 1 421 . 1 . 1 106 106 SER CB C 13 63.965 0.027 . 1 . . . . . 101 SER CB . 26314 1 422 . 1 . 1 106 106 SER N N 15 117.713 0.063 . 1 . . . . . 101 SER N . 26314 1 423 . 1 . 1 107 107 LEU H H 1 8.332 0.002 . 1 . . . . . 102 LEU H . 26314 1 424 . 1 . 1 107 107 LEU C C 13 183.924 0.012 . 1 . . . . . 102 LEU C . 26314 1 425 . 1 . 1 107 107 LEU CA C 13 56.095 0.108 . 1 . . . . . 102 LEU CA . 26314 1 426 . 1 . 1 107 107 LEU CB C 13 42.066 0.055 . 1 . . . . . 102 LEU CB . 26314 1 427 . 1 . 1 107 107 LEU N N 15 124.11 0.042 . 1 . . . . . 102 LEU N . 26314 1 428 . 1 . 1 108 108 GLU H H 1 8.306 0.003 . 1 . . . . . 103 GLU H . 26314 1 429 . 1 . 1 108 108 GLU C C 13 182.589 0.016 . 1 . . . . . 103 GLU C . 26314 1 430 . 1 . 1 108 108 GLU CA C 13 57.388 0.041 . 1 . . . . . 103 GLU CA . 26314 1 431 . 1 . 1 108 108 GLU CB C 13 30.078 0.027 . 1 . . . . . 103 GLU CB . 26314 1 432 . 1 . 1 108 108 GLU N N 15 120.259 0.044 . 1 . . . . . 103 GLU N . 26314 1 433 . 1 . 1 109 109 ASP H H 1 8.142 0.002 . 1 . . . . . 104 ASP H . 26314 1 434 . 1 . 1 109 109 ASP C C 13 182.437 0.014 . 1 . . . . . 104 ASP C . 26314 1 435 . 1 . 1 109 109 ASP CA C 13 54.971 0.114 . 1 . . . . . 104 ASP CA . 26314 1 436 . 1 . 1 109 109 ASP CB C 13 41.096 0.024 . 1 . . . . . 104 ASP CB . 26314 1 437 . 1 . 1 109 109 ASP N N 15 120.493 0.019 . 1 . . . . . 104 ASP N . 26314 1 438 . 1 . 1 110 110 LEU H H 1 7.998 0.003 . 1 . . . . . 105 LEU H . 26314 1 439 . 1 . 1 110 110 LEU C C 13 183.717 0.002 . 1 . . . . . 105 LEU C . 26314 1 440 . 1 . 1 110 110 LEU CA C 13 55.829 0.104 . 1 . . . . . 105 LEU CA . 26314 1 441 . 1 . 1 110 110 LEU CB C 13 42.304 0.019 . 1 . . . . . 105 LEU CB . 26314 1 442 . 1 . 1 110 110 LEU N N 15 121.667 0.081 . 1 . . . . . 105 LEU N . 26314 1 443 . 1 . 1 111 111 VAL H H 1 7.982 0.003 . 1 . . . . . 106 VAL H . 26314 1 444 . 1 . 1 111 111 VAL C C 13 182.569 0.008 . 1 . . . . . 106 VAL C . 26314 1 445 . 1 . 1 111 111 VAL CA C 13 63.319 0.033 . 1 . . . . . 106 VAL CA . 26314 1 446 . 1 . 1 111 111 VAL CB C 13 32.39 0.004 . 1 . . . . . 106 VAL CB . 26314 1 447 . 1 . 1 111 111 VAL N N 15 121.211 0.056 . 1 . . . . . 106 VAL N . 26314 1 448 . 1 . 1 112 112 VAL H H 1 8.106 0.003 . 1 . . . . . 107 VAL H . 26314 1 449 . 1 . 1 112 112 VAL C C 13 182.575 0.007 . 1 . . . . . 107 VAL C . 26314 1 450 . 1 . 1 112 112 VAL CA C 13 63.111 0.048 . 1 . . . . . 107 VAL CA . 26314 1 451 . 1 . 1 112 112 VAL CB C 13 32.373 0.086 . 1 . . . . . 107 VAL CB . 26314 1 452 . 1 . 1 112 112 VAL N N 15 123.949 0.032 . 1 . . . . . 107 VAL N . 26314 1 453 . 1 . 1 113 113 LYS H H 1 8.326 0.003 . 1 . . . . . 108 LYS H . 26314 1 454 . 1 . 1 113 113 LYS C C 13 182.771 0.007 . 1 . . . . . 108 LYS C . 26314 1 455 . 1 . 1 113 113 LYS CA C 13 56.697 0.025 . 1 . . . . . 108 LYS CA . 26314 1 456 . 1 . 1 113 113 LYS CB C 13 32.913 0.099 . 1 . . . . . 108 LYS CB . 26314 1 457 . 1 . 1 113 113 LYS N N 15 124.712 0.068 . 1 . . . . . 108 LYS N . 26314 1 458 . 1 . 1 114 114 SER H H 1 8.213 0.004 . 1 . . . . . 109 SER H . 26314 1 459 . 1 . 1 114 114 SER C C 13 180.329 0.000 . 1 . . . . . 109 SER C . 26314 1 460 . 1 . 1 114 114 SER CA C 13 58.59 0.064 . 1 . . . . . 109 SER CA . 26314 1 461 . 1 . 1 114 114 SER CB C 13 63.88 0.045 . 1 . . . . . 109 SER CB . 26314 1 462 . 1 . 1 114 114 SER N N 15 116.346 0.043 . 1 . . . . . 109 SER N . 26314 1 463 . 1 . 1 115 115 ASN H H 1 8.381 0.002 . 1 . . . . . 110 ASN H . 26314 1 464 . 1 . 1 115 115 ASN C C 13 180.992 0.000 . 1 . . . . . 110 ASN C . 26314 1 465 . 1 . 1 115 115 ASN CA C 13 53.436 0.028 . 1 . . . . . 110 ASN CA . 26314 1 466 . 1 . 1 115 115 ASN CB C 13 38.719 0.000 . 1 . . . . . 110 ASN CB . 26314 1 467 . 1 . 1 115 115 ASN N N 15 120.618 0.076 . 1 . . . . . 110 ASN N . 26314 1 468 . 1 . 1 118 118 PRO C C 13 182.855 0.005 . 1 . . . . . 113 PRO C . 26314 1 469 . 1 . 1 118 118 PRO CA C 13 63.879 0.040 . 1 . . . . . 113 PRO CA . 26314 1 470 . 1 . 1 118 118 PRO CB C 13 32.048 0.013 . 1 . . . . . 113 PRO CB . 26314 1 471 . 1 . 1 119 119 ASN H H 1 8.311 0.004 . 1 . . . . . 114 ASN H . 26314 1 472 . 1 . 1 119 119 ASN C C 13 181.003 0.004 . 1 . . . . . 114 ASN C . 26314 1 473 . 1 . 1 119 119 ASN CA C 13 53.258 0.018 . 1 . . . . . 114 ASN CA . 26314 1 474 . 1 . 1 119 119 ASN CB C 13 38.819 0.038 . 1 . . . . . 114 ASN CB . 26314 1 475 . 1 . 1 119 119 ASN N N 15 117.156 0.040 . 1 . . . . . 114 ASN N . 26314 1 476 . 1 . 1 120 120 ALA H H 1 7.909 0.002 . 1 . . . . . 115 ALA H . 26314 1 477 . 1 . 1 120 120 ALA C C 13 183.655 0.012 . 1 . . . . . 115 ALA C . 26314 1 478 . 1 . 1 120 120 ALA CA C 13 52.947 0.048 . 1 . . . . . 115 ALA CA . 26314 1 479 . 1 . 1 120 120 ALA CB C 13 19.254 0.074 . 1 . . . . . 115 ALA CB . 26314 1 480 . 1 . 1 120 120 ALA N N 15 124.056 0.031 . 1 . . . . . 115 ALA N . 26314 1 481 . 1 . 1 121 121 LYS H H 1 8.221 0.002 . 1 . . . . . 116 LYS H . 26314 1 482 . 1 . 1 121 121 LYS C C 13 182.469 0.004 . 1 . . . . . 116 LYS C . 26314 1 483 . 1 . 1 121 121 LYS CA C 13 56.281 0.000 . 1 . . . . . 116 LYS CA . 26314 1 484 . 1 . 1 121 121 LYS CB C 13 32.913 0.068 . 1 . . . . . 116 LYS CB . 26314 1 485 . 1 . 1 121 121 LYS N N 15 120.214 0.032 . 1 . . . . . 116 LYS N . 26314 1 486 . 1 . 1 122 122 GLU H H 1 8.252 0.002 . 1 . . . . . 117 GLU H . 26314 1 487 . 1 . 1 122 122 GLU CA C 13 56.536 0.015 . 1 . . . . . 117 GLU CA . 26314 1 488 . 1 . 1 122 122 GLU CB C 13 30.224 0.000 . 1 . . . . . 117 GLU CB . 26314 1 489 . 1 . 1 122 122 GLU N N 15 121.007 0.108 . 1 . . . . . 117 GLU N . 26314 1 490 . 1 . 1 125 125 PRO C C 13 183.423 0.005 . 1 . . . . . 120 PRO C . 26314 1 491 . 1 . 1 125 125 PRO CA C 13 63.445 0.012 . 1 . . . . . 120 PRO CA . 26314 1 492 . 1 . 1 125 125 PRO CB C 13 32.089 0.019 . 1 . . . . . 120 PRO CB . 26314 1 493 . 1 . 1 126 126 GLY H H 1 8.42 0.002 . 1 . . . . . 121 GLY H . 26314 1 494 . 1 . 1 126 126 GLY C C 13 180.129 0.005 . 1 . . . . . 121 GLY C . 26314 1 495 . 1 . 1 126 126 GLY CA C 13 45.338 0.037 . 1 . . . . . 121 GLY CA . 26314 1 496 . 1 . 1 126 126 GLY N N 15 109.334 0.064 . 1 . . . . . 121 GLY N . 26314 1 497 . 1 . 1 127 127 VAL H H 1 7.832 0.007 . 1 . . . . . 122 VAL H . 26314 1 498 . 1 . 1 127 127 VAL C C 13 181.844 0.009 . 1 . . . . . 122 VAL C . 26314 1 499 . 1 . 1 127 127 VAL CA C 13 62.446 0.070 . 1 . . . . . 122 VAL CA . 26314 1 500 . 1 . 1 127 127 VAL CB C 13 32.679 0.054 . 1 . . . . . 122 VAL CB . 26314 1 501 . 1 . 1 127 127 VAL N N 15 120.018 0.038 . 1 . . . . . 122 VAL N . 26314 1 502 . 1 . 1 128 128 LYS H H 1 8.311 0.003 . 1 . . . . . 123 LYS H . 26314 1 503 . 1 . 1 128 128 LYS C C 13 182.006 0.023 . 1 . . . . . 123 LYS C . 26314 1 504 . 1 . 1 128 128 LYS CA C 13 56.093 0.167 . 1 . . . . . 123 LYS CA . 26314 1 505 . 1 . 1 128 128 LYS CB C 13 33.042 0.046 . 1 . . . . . 123 LYS CB . 26314 1 506 . 1 . 1 128 128 LYS N N 15 125.189 0.031 . 1 . . . . . 123 LYS N . 26314 1 507 . 1 . 1 129 129 TYR H H 1 8.245 0.002 . 1 . . . . . 124 TYR H . 26314 1 508 . 1 . 1 129 129 TYR C C 13 182.195 0.006 . 1 . . . . . 124 TYR C . 26314 1 509 . 1 . 1 129 129 TYR CA C 13 58.135 0.152 . 1 . . . . . 124 TYR CA . 26314 1 510 . 1 . 1 129 129 TYR CB C 13 39.031 0.068 . 1 . . . . . 124 TYR CB . 26314 1 511 . 1 . 1 129 129 TYR N N 15 122.123 0.037 . 1 . . . . . 124 TYR N . 26314 1 512 . 1 . 1 130 130 GLY H H 1 8.307 0.004 . 1 . . . . . 125 GLY H . 26314 1 513 . 1 . 1 130 130 GLY C C 13 179.617 0.004 . 1 . . . . . 125 GLY C . 26314 1 514 . 1 . 1 130 130 GLY CA C 13 45.308 0.023 . 1 . . . . . 125 GLY CA . 26314 1 515 . 1 . 1 130 130 GLY N N 15 110.296 0.055 . 1 . . . . . 125 GLY N . 26314 1 516 . 1 . 1 131 131 ASN H H 1 8.301 0.002 . 1 . . . . . 126 ASN H . 26314 1 517 . 1 . 1 131 131 ASN C C 13 180.198 0.004 . 1 . . . . . 126 ASN C . 26314 1 518 . 1 . 1 131 131 ASN CA C 13 53.444 0.054 . 1 . . . . . 126 ASN CA . 26314 1 519 . 1 . 1 131 131 ASN CB C 13 38.981 0.009 . 1 . . . . . 126 ASN CB . 26314 1 520 . 1 . 1 131 131 ASN N N 15 119.01 0.054 . 1 . . . . . 126 ASN N . 26314 1 521 . 1 . 1 132 132 ILE H H 1 7.655 0.003 . 1 . . . . . 127 ILE H . 26314 1 522 . 1 . 1 132 132 ILE C C 13 186.983 0.000 . 1 . . . . . 127 ILE C . 26314 1 523 . 1 . 1 132 132 ILE CA C 13 63.104 0.049 . 1 . . . . . 127 ILE CA . 26314 1 524 . 1 . 1 132 132 ILE CB C 13 39.784 0.000 . 1 . . . . . 127 ILE CB . 26314 1 525 . 1 . 1 132 132 ILE N N 15 124.658 0.045 . 1 . . . . . 127 ILE N . 26314 1 stop_ save_