################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 27813 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 27813 1 2 '3D CBCA(CO)NH' . . . 27813 1 3 '3D HNCACB' . . . 27813 1 4 '3D HNCO' . . . 27813 1 5 '3D HCACO' . . . 27813 1 6 '3D 1H-15N NOESY' . . . 27813 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 3 3 MET H H 1 8.208 0.023 . 1 . . . . . 1 Met H . 27813 1 2 . 1 1 3 3 MET N N 15 118.675 0.119 . 1 . . . . . 1 Met N . 27813 1 3 . 1 1 4 4 ALA H H 1 8.018 0.011 . 1 . . . . . 2 Ala H . 27813 1 4 . 1 1 4 4 ALA N N 15 124.866 0.148 . 1 . . . . . 2 Ala N . 27813 1 5 . 1 1 5 5 LYS H H 1 8.406 0.029 . 1 . . . . . 3 Lys H . 27813 1 6 . 1 1 5 5 LYS N N 15 124.067 0.298 . 1 . . . . . 3 Lys N . 27813 1 7 . 1 1 6 6 LEU H H 1 9.643 0.018 . 1 . . . . . 4 Leu H . 27813 1 8 . 1 1 6 6 LEU N N 15 127.646 0.150 . 1 . . . . . 4 Leu N . 27813 1 9 . 1 1 7 7 TYR H H 1 9.511 0.024 . 1 . . . . . 5 Tyr H . 27813 1 10 . 1 1 7 7 TYR N N 15 127.801 0.246 . 1 . . . . . 5 Tyr N . 27813 1 11 . 1 1 8 8 ILE H H 1 8.681 0.034 . 1 . . . . . 6 Ile H . 27813 1 12 . 1 1 8 8 ILE N N 15 128.213 0.259 . 1 . . . . . 6 Ile N . 27813 1 13 . 1 1 9 9 GLY H H 1 9.114 0.051 . 1 . . . . . 7 Gly H . 27813 1 14 . 1 1 9 9 GLY N N 15 111.773 0.130 . 1 . . . . . 7 Gly N . 27813 1 15 . 1 1 10 10 ASN H H 1 8.010 0.527 . 1 . . . . . 8 Asn H . 27813 1 16 . 1 1 10 10 ASN N N 15 119.010 1.235 . 1 . . . . . 8 Asn N . 27813 1 17 . 1 1 11 11 LEU H H 1 7.278 0.010 . 1 . . . . . 9 Leu H . 27813 1 18 . 1 1 11 11 LEU N N 15 113.639 0.058 . 1 . . . . . 9 Leu N . 27813 1 19 . 1 1 12 12 SER H H 1 9.072 0.024 . 1 . . . . . 10 Ser H . 27813 1 20 . 1 1 12 12 SER N N 15 118.154 0.095 . 1 . . . . . 10 Ser N . 27813 1 21 . 1 1 13 13 GLU H H 1 9.312 0.014 . 1 . . . . . 11 Glu H . 27813 1 22 . 1 1 13 13 GLU N N 15 124.749 0.116 . 1 . . . . . 11 Glu N . 27813 1 23 . 1 1 14 14 ASN H H 1 8.094 0.013 . 1 . . . . . 12 Asn H . 27813 1 24 . 1 1 14 14 ASN N N 15 114.717 0.090 . 1 . . . . . 12 Asn N . 27813 1 25 . 1 1 15 15 ALA H H 1 7.272 0.014 . 1 . . . . . 13 Ala H . 27813 1 26 . 1 1 15 15 ALA N N 15 122.926 0.084 . 1 . . . . . 13 Ala N . 27813 1 27 . 1 1 16 16 ALA H H 1 8.961 0.025 . 1 . . . . . 14 Ala H . 27813 1 28 . 1 1 16 16 ALA N N 15 125.851 0.064 . 1 . . . . . 14 Ala N . 27813 1 29 . 1 1 18 18 SER H H 1 8.039 0.207 . 1 . . . . . 16 Ser H . 27813 1 30 . 1 1 18 18 SER N N 15 108.976 0.416 . 1 . . . . . 16 Ser N . 27813 1 31 . 1 1 19 19 ASP H H 1 7.407 0.064 . 1 . . . . . 17 Asp H . 27813 1 32 . 1 1 19 19 ASP N N 15 121.753 0.077 . 1 . . . . . 17 Asp N . 27813 1 33 . 1 1 20 20 LEU H H 1 6.634 0.018 . 1 . . . . . 18 Leu H . 27813 1 34 . 1 1 20 20 LEU N N 15 118.778 0.087 . 1 . . . . . 18 Leu N . 27813 1 35 . 1 1 21 21 GLU H H 1 8.149 0.019 . 1 . . . . . 19 Glu H . 27813 1 36 . 1 1 21 21 GLU N N 15 118.984 0.109 . 1 . . . . . 19 Glu N . 27813 1 37 . 1 1 22 22 SER H H 1 7.468 0.013 . 1 . . . . . 20 Ser H . 27813 1 38 . 1 1 22 22 SER N N 15 113.455 0.099 . 1 . . . . . 20 Ser N . 27813 1 39 . 1 1 23 23 ILE H H 1 7.245 0.013 . 1 . . . . . 21 Ile H . 27813 1 40 . 1 1 23 23 ILE N N 15 121.164 0.031 . 1 . . . . . 21 Ile N . 27813 1 41 . 1 1 24 24 PHE H H 1 8.363 0.018 . 1 . . . . . 22 Phe H . 27813 1 42 . 1 1 24 24 PHE N N 15 120.456 0.177 . 1 . . . . . 22 Phe N . 27813 1 43 . 1 1 25 25 LYS H H 1 8.146 0.020 . 1 . . . . . 23 Lys H . 27813 1 44 . 1 1 25 25 LYS N N 15 119.797 0.134 . 1 . . . . . 23 Lys N . 27813 1 45 . 1 1 26 26 ASP H H 1 8.511 0.017 . 1 . . . . . 24 Asp H . 27813 1 46 . 1 1 26 26 ASP N N 15 122.171 0.128 . 1 . . . . . 24 Asp N . 27813 1 47 . 1 1 27 27 ALA H H 1 7.280 0.012 . 1 . . . . . 25 Ala H . 27813 1 48 . 1 1 27 27 ALA N N 15 119.481 0.079 . 1 . . . . . 25 Ala N . 27813 1 49 . 1 1 28 28 LYS H H 1 7.784 0.011 . 1 . . . . . 26 Lys H . 27813 1 50 . 1 1 28 28 LYS N N 15 114.904 0.089 . 1 . . . . . 26 Lys N . 27813 1 51 . 1 1 29 29 ILE H H 1 7.919 0.015 . 1 . . . . . 27 Ile H . 27813 1 52 . 1 1 29 29 ILE N N 15 120.714 0.079 . 1 . . . . . 27 Ile N . 27813 1 53 . 1 1 31 31 VAL H H 1 7.548 0.010 . 1 . . . . . 29 Val H . 27813 1 54 . 1 1 31 31 VAL N N 15 108.136 0.059 . 1 . . . . . 29 Val N . 27813 1 55 . 1 1 32 32 SER H H 1 8.647 0.014 . 1 . . . . . 30 Ser H . 27813 1 56 . 1 1 32 32 SER N N 15 116.671 0.075 . 1 . . . . . 30 Ser N . 27813 1 57 . 1 1 33 33 GLY H H 1 8.702 0.623 . 1 . . . . . 31 Gly H . 27813 1 58 . 1 1 33 33 GLY N N 15 113.920 1.680 . 1 . . . . . 31 Gly N . 27813 1 59 . 1 1 35 35 PHE H H 1 8.684 0.022 . 1 . . . . . 33 Phe H . 27813 1 60 . 1 1 35 35 PHE N N 15 118.980 0.130 . 1 . . . . . 33 Phe N . 27813 1 61 . 1 1 36 36 LEU H H 1 8.906 0.016 . 1 . . . . . 34 Leu H . 27813 1 62 . 1 1 36 36 LEU N N 15 127.290 0.066 . 1 . . . . . 34 Leu N . 27813 1 63 . 1 1 37 37 VAL H H 1 8.564 0.010 . 1 . . . . . 35 Val H . 27813 1 64 . 1 1 37 37 VAL N N 15 125.317 0.079 . 1 . . . . . 35 Val N . 27813 1 65 . 1 1 38 38 LYS H H 1 8.627 0.021 . 1 . . . . . 36 Lys H . 27813 1 66 . 1 1 38 38 LYS N N 15 130.248 0.102 . 1 . . . . . 36 Lys N . 27813 1 67 . 1 1 39 39 THR H H 1 6.948 0.012 . 1 . . . . . 37 Thr H . 27813 1 68 . 1 1 39 39 THR N N 15 114.461 0.188 . 1 . . . . . 37 Thr N . 27813 1 69 . 1 1 40 40 GLY H H 1 7.421 0.368 . 1 . . . . . 38 Gly H . 27813 1 70 . 1 1 40 40 GLY N N 15 110.377 0.968 . 1 . . . . . 38 Gly N . 27813 1 71 . 1 1 41 41 TYR H H 1 7.046 0.050 . 1 . . . . . 39 Tyr H . 27813 1 72 . 1 1 41 41 TYR N N 15 115.620 0.096 . 1 . . . . . 39 Tyr N . 27813 1 73 . 1 1 42 42 ALA H H 1 9.222 0.030 . 1 . . . . . 40 Ala H . 27813 1 74 . 1 1 42 42 ALA N N 15 120.628 0.046 . 1 . . . . . 40 Ala N . 27813 1 75 . 1 1 43 43 PHE H H 1 8.375 0.026 . 1 . . . . . 41 Phe H . 27813 1 76 . 1 1 43 43 PHE N N 15 114.486 0.129 . 1 . . . . . 41 Phe N . 27813 1 77 . 1 1 44 44 VAL H H 1 8.324 0.022 . 1 . . . . . 42 Val H . 27813 1 78 . 1 1 44 44 VAL N N 15 118.318 0.170 . 1 . . . . . 42 Val N . 27813 1 79 . 1 1 45 45 ASP H H 1 7.857 0.017 . 1 . . . . . 43 Asp H . 27813 1 80 . 1 1 45 45 ASP N N 15 125.335 0.123 . 1 . . . . . 43 Asp N . 27813 1 81 . 1 1 46 46 CYS H H 1 8.975 0.031 . 1 . . . . . 44 Cys H . 27813 1 82 . 1 1 46 46 CYS N N 15 119.169 0.148 . 1 . . . . . 44 Cys N . 27813 1 83 . 1 1 48 48 ASP H H 1 9.029 0.012 . 1 . . . . . 46 Asp H . 27813 1 84 . 1 1 48 48 ASP N N 15 118.586 0.237 . 1 . . . . . 46 Asp N . 27813 1 85 . 1 1 49 49 GLU H H 1 8.618 0.007 . 1 . . . . . 47 Glu H . 27813 1 86 . 1 1 49 49 GLU N N 15 119.570 0.251 . 1 . . . . . 47 Glu N . 27813 1 87 . 1 1 50 50 SER H H 1 8.238 0.015 . 1 . . . . . 48 Ser H . 27813 1 88 . 1 1 50 50 SER N N 15 116.113 0.156 . 1 . . . . . 48 Ser N . 27813 1 89 . 1 1 51 51 TRP H H 1 8.286 0.035 . 1 . . . . . 49 Trp H . 27813 1 90 . 1 1 51 51 TRP N N 15 118.288 0.320 . 1 . . . . . 49 Trp N . 27813 1 91 . 1 1 52 52 ALA H H 1 7.699 0.009 . 1 . . . . . 50 Ala H . 27813 1 92 . 1 1 52 52 ALA N N 15 121.241 0.192 . 1 . . . . . 50 Ala N . 27813 1 93 . 1 1 53 53 LEU H H 1 7.894 0.026 . 1 . . . . . 51 Leu H . 27813 1 94 . 1 1 53 53 LEU N N 15 116.537 0.059 . 1 . . . . . 51 Leu N . 27813 1 95 . 1 1 54 54 LYS H H 1 7.791 0.012 . 1 . . . . . 52 Lys H . 27813 1 96 . 1 1 54 54 LYS N N 15 119.176 0.108 . 1 . . . . . 52 Lys N . 27813 1 97 . 1 1 55 55 ALA H H 1 8.566 0.020 . 1 . . . . . 53 Ala H . 27813 1 98 . 1 1 55 55 ALA N N 15 122.449 0.097 . 1 . . . . . 53 Ala N . 27813 1 99 . 1 1 56 56 ILE H H 1 7.968 0.021 . 1 . . . . . 54 Ile H . 27813 1 100 . 1 1 56 56 ILE N N 15 118.820 0.135 . 1 . . . . . 54 Ile N . 27813 1 101 . 1 1 57 57 GLU H H 1 8.024 0.009 . 1 . . . . . 55 Glu H . 27813 1 102 . 1 1 57 57 GLU N N 15 118.927 0.090 . 1 . . . . . 55 Glu N . 27813 1 103 . 1 1 58 58 ALA H H 1 8.287 0.013 . 1 . . . . . 56 Ala H . 27813 1 104 . 1 1 58 58 ALA N N 15 117.822 0.076 . 1 . . . . . 56 Ala N . 27813 1 105 . 1 1 59 59 LEU H H 1 7.772 0.013 . 1 . . . . . 57 Leu H . 27813 1 106 . 1 1 59 59 LEU N N 15 110.566 0.066 . 1 . . . . . 57 Leu N . 27813 1 107 . 1 1 60 60 SER H H 1 7.797 0.023 . 1 . . . . . 58 Ser H . 27813 1 108 . 1 1 60 60 SER N N 15 111.411 0.096 . 1 . . . . . 58 Ser N . 27813 1 109 . 1 1 61 61 GLY H H 1 9.796 0.016 . 1 . . . . . 59 Gly H . 27813 1 110 . 1 1 61 61 GLY N N 15 117.971 0.047 . 1 . . . . . 59 Gly N . 27813 1 111 . 1 1 62 62 LYS H H 1 7.795 0.010 . 1 . . . . . 60 Lys H . 27813 1 112 . 1 1 62 62 LYS N N 15 118.082 0.043 . 1 . . . . . 60 Lys N . 27813 1 113 . 1 1 63 63 ILE H H 1 7.038 0.026 . 1 . . . . . 61 Ile H . 27813 1 114 . 1 1 63 63 ILE N N 15 119.475 0.081 . 1 . . . . . 61 Ile N . 27813 1 115 . 1 1 64 64 GLU H H 1 8.415 0.010 . 1 . . . . . 62 Glu H . 27813 1 116 . 1 1 64 64 GLU N N 15 124.958 0.145 . 1 . . . . . 62 Glu N . 27813 1 117 . 1 1 65 65 LEU H H 1 8.235 0.012 . 1 . . . . . 63 Leu H . 27813 1 118 . 1 1 65 65 LEU N N 15 123.717 0.052 . 1 . . . . . 63 Leu N . 27813 1 119 . 1 1 66 66 HIS H H 1 9.424 0.007 . 1 . . . . . 64 His H . 27813 1 120 . 1 1 66 66 HIS N N 15 125.733 0.087 . 1 . . . . . 64 His N . 27813 1 121 . 1 1 67 67 GLY H H 1 8.634 0.009 . 1 . . . . . 65 Gly H . 27813 1 122 . 1 1 67 67 GLY N N 15 102.891 0.056 . 1 . . . . . 65 Gly N . 27813 1 123 . 1 1 68 68 LYS H H 1 7.907 0.498 . 1 . . . . . 66 Lys H . 27813 1 124 . 1 1 68 68 LYS N N 15 115.632 1.291 . 1 . . . . . 66 Lys N . 27813 1 125 . 1 1 70 70 ILE H H 1 8.350 0.011 . 1 . . . . . 68 Ile H . 27813 1 126 . 1 1 70 70 ILE N N 15 121.595 0.077 . 1 . . . . . 68 Ile N . 27813 1 127 . 1 1 71 71 GLU H H 1 7.709 0.007 . 1 . . . . . 69 Glu H . 27813 1 128 . 1 1 71 71 GLU N N 15 122.968 0.146 . 1 . . . . . 69 Glu N . 27813 1 129 . 1 1 72 72 VAL H H 1 8.445 0.022 . 1 . . . . . 70 Val H . 27813 1 130 . 1 1 72 72 VAL N N 15 123.610 0.184 . 1 . . . . . 70 Val N . 27813 1 131 . 1 1 73 73 GLU H H 1 8.668 0.021 . 1 . . . . . 71 Glu H . 27813 1 132 . 1 1 73 73 GLU N N 15 120.881 0.158 . 1 . . . . . 71 Glu N . 27813 1 133 . 1 1 74 74 HIS H H 1 8.614 0.016 . 1 . . . . . 72 His H . 27813 1 134 . 1 1 74 74 HIS N N 15 123.108 0.212 . 1 . . . . . 72 His N . 27813 1 135 . 1 1 75 75 SER H H 1 8.339 0.004 . 1 . . . . . 73 Ser H . 27813 1 136 . 1 1 75 75 SER N N 15 116.258 0.053 . 1 . . . . . 73 Ser N . 27813 1 137 . 1 1 76 76 VAL H H 1 7.801 0.004 . 1 . . . . . 74 Val H . 27813 1 138 . 1 1 76 76 VAL N N 15 118.100 0.067 . 1 . . . . . 74 Val N . 27813 1 139 . 1 1 78 78 LYS H H 1 8.408 0.019 . 1 . . . . . 76 Lys H . 27813 1 140 . 1 1 78 78 LYS N N 15 124.935 0.175 . 1 . . . . . 76 Lys N . 27813 1 141 . 1 1 79 79 ARG H H 1 9.358 0.015 . 1 . . . . . 77 Arg H . 27813 1 142 . 1 1 79 79 ARG N N 15 124.855 0.168 . 1 . . . . . 77 Arg N . 27813 1 143 . 1 1 81 81 ARG H H 1 9.141 0.011 . 1 . . . . . 79 Arg H . 27813 1 144 . 1 1 81 81 ARG N N 15 122.399 0.110 . 1 . . . . . 79 Arg N . 27813 1 145 . 1 1 82 82 ILE H H 1 8.411 0.011 . 1 . . . . . 80 Ile H . 27813 1 146 . 1 1 82 82 ILE N N 15 127.051 0.104 . 1 . . . . . 80 Ile N . 27813 1 147 . 1 1 84 84 LYS H H 1 9.201 0.032 . 1 . . . . . 82 Lys H . 27813 1 148 . 1 1 84 84 LYS N N 15 123.102 0.248 . 1 . . . . . 82 Lys N . 27813 1 149 . 1 1 85 85 LEU H H 1 9.186 0.146 . 1 . . . . . 83 Leu H . 27813 1 150 . 1 1 85 85 LEU N N 15 122.737 0.725 . 1 . . . . . 83 Leu N . 27813 1 151 . 1 1 86 86 GLN H H 1 9.352 0.025 . 1 . . . . . 84 Gln H . 27813 1 152 . 1 1 86 86 GLN N N 15 121.436 0.109 . 1 . . . . . 84 Gln N . 27813 1 153 . 1 1 87 87 ILE H H 1 9.293 0.011 . 1 . . . . . 85 Ile H . 27813 1 154 . 1 1 87 87 ILE N N 15 123.162 0.047 . 1 . . . . . 85 Ile N . 27813 1 155 . 1 1 88 88 ARG H H 1 9.218 0.014 . 1 . . . . . 86 Arg H . 27813 1 156 . 1 1 88 88 ARG N N 15 123.296 0.074 . 1 . . . . . 86 Arg N . 27813 1 157 . 1 1 89 89 ASN H H 1 8.957 0.022 . 1 . . . . . 87 Asn H . 27813 1 158 . 1 1 89 89 ASN N N 15 116.212 0.082 . 1 . . . . . 87 Asn N . 27813 1 159 . 1 1 90 90 ILE H H 1 7.084 0.000 . 1 . . . . . 88 Ile H . 27813 1 160 . 1 1 90 90 ILE N N 15 114.772 0.000 . 1 . . . . . 88 Ile N . 27813 1 161 . 1 1 93 93 HIS H H 1 8.248 0.027 . 1 . . . . . 91 His H . 27813 1 162 . 1 1 93 93 HIS N N 15 114.078 0.081 . 1 . . . . . 91 His N . 27813 1 163 . 1 1 94 94 LEU H H 1 7.135 0.023 . 1 . . . . . 92 Leu H . 27813 1 164 . 1 1 94 94 LEU N N 15 122.308 0.075 . 1 . . . . . 92 Leu N . 27813 1 165 . 1 1 95 95 GLN H H 1 7.308 0.011 . 1 . . . . . 93 Gln H . 27813 1 166 . 1 1 95 95 GLN N N 15 120.248 0.064 . 1 . . . . . 93 Gln N . 27813 1 167 . 1 1 96 96 TRP H H 1 8.738 0.024 . 1 . . . . . 94 Trp H . 27813 1 168 . 1 1 96 96 TRP N N 15 126.929 0.126 . 1 . . . . . 94 Trp N . 27813 1 169 . 1 1 97 97 GLU H H 1 9.332 0.011 . 1 . . . . . 95 Glu H . 27813 1 170 . 1 1 97 97 GLU N N 15 116.706 0.062 . 1 . . . . . 95 Glu N . 27813 1 171 . 1 1 98 98 VAL H H 1 7.395 0.014 . 1 . . . . . 96 Val H . 27813 1 172 . 1 1 98 98 VAL N N 15 119.965 0.071 . 1 . . . . . 96 Val N . 27813 1 173 . 1 1 99 99 LEU H H 1 6.996 0.013 . 1 . . . . . 97 Leu H . 27813 1 174 . 1 1 99 99 LEU N N 15 121.188 0.050 . 1 . . . . . 97 Leu N . 27813 1 175 . 1 1 100 100 ASP H H 1 8.363 0.011 . 1 . . . . . 98 Asp H . 27813 1 176 . 1 1 100 100 ASP N N 15 118.534 0.108 . 1 . . . . . 98 Asp N . 27813 1 177 . 1 1 101 101 SER H H 1 7.459 0.015 . 1 . . . . . 99 Ser H . 27813 1 178 . 1 1 101 101 SER N N 15 110.999 0.210 . 1 . . . . . 99 Ser N . 27813 1 179 . 1 1 102 102 LEU H H 1 7.373 0.049 . 1 . . . . . 100 Leu H . 27813 1 180 . 1 1 102 102 LEU N N 15 121.798 0.045 . 1 . . . . . 100 Leu N . 27813 1 181 . 1 1 103 103 LEU H H 1 8.034 0.018 . 1 . . . . . 101 Leu H . 27813 1 182 . 1 1 103 103 LEU N N 15 115.407 0.131 . 1 . . . . . 101 Leu N . 27813 1 183 . 1 1 104 104 VAL H H 1 8.087 0.010 . 1 . . . . . 102 Val H . 27813 1 184 . 1 1 104 104 VAL N N 15 113.698 0.066 . 1 . . . . . 102 Val N . 27813 1 185 . 1 1 105 105 GLN H H 1 7.004 0.017 . 1 . . . . . 103 Gln H . 27813 1 186 . 1 1 105 105 GLN N N 15 117.746 0.063 . 1 . . . . . 103 Gln N . 27813 1 187 . 1 1 106 106 TYR H H 1 6.780 0.008 . 1 . . . . . 104 Tyr H . 27813 1 188 . 1 1 106 106 TYR N N 15 113.573 0.084 . 1 . . . . . 104 Tyr N . 27813 1 189 . 1 1 107 107 GLY H H 1 7.136 0.017 . 1 . . . . . 105 Gly H . 27813 1 190 . 1 1 107 107 GLY N N 15 103.594 0.082 . 1 . . . . . 105 Gly N . 27813 1 191 . 1 1 108 108 VAL H H 1 7.467 0.020 . 1 . . . . . 106 Val H . 27813 1 192 . 1 1 108 108 VAL N N 15 119.081 0.078 . 1 . . . . . 106 Val N . 27813 1 193 . 1 1 109 109 VAL H H 1 8.573 0.017 . 1 . . . . . 107 Val H . 27813 1 194 . 1 1 109 109 VAL N N 15 129.905 0.131 . 1 . . . . . 107 Val N . 27813 1 195 . 1 1 110 110 GLU H H 1 8.803 0.011 . 1 . . . . . 108 Glu H . 27813 1 196 . 1 1 110 110 GLU N N 15 130.109 0.104 . 1 . . . . . 108 Glu N . 27813 1 197 . 1 1 111 111 SER H H 1 7.344 0.020 . 1 . . . . . 109 Ser H . 27813 1 198 . 1 1 111 111 SER N N 15 109.448 0.085 . 1 . . . . . 109 Ser N . 27813 1 199 . 1 1 112 112 CYS H H 1 8.583 0.016 . 1 . . . . . 110 Cys H . 27813 1 200 . 1 1 112 112 CYS N N 15 124.284 0.102 . 1 . . . . . 110 Cys N . 27813 1 201 . 1 1 113 113 GLU H H 1 8.858 0.018 . 1 . . . . . 111 Glu H . 27813 1 202 . 1 1 113 113 GLU N N 15 125.995 0.074 . 1 . . . . . 111 Glu N . 27813 1 203 . 1 1 114 114 GLN H H 1 8.848 0.011 . 1 . . . . . 112 Gln H . 27813 1 204 . 1 1 114 114 GLN N N 15 124.911 0.090 . 1 . . . . . 112 Gln N . 27813 1 205 . 1 1 115 115 VAL H H 1 8.727 0.016 . 1 . . . . . 113 Val H . 27813 1 206 . 1 1 115 115 VAL N N 15 126.961 0.108 . 1 . . . . . 113 Val N . 27813 1 207 . 1 1 116 116 ASN H H 1 8.591 0.011 . 1 . . . . . 114 Asn H . 27813 1 208 . 1 1 116 116 ASN N N 15 124.342 0.251 . 1 . . . . . 114 Asn N . 27813 1 209 . 1 1 117 117 THR H H 1 8.215 0.024 . 1 . . . . . 115 Thr H . 27813 1 210 . 1 1 117 117 THR N N 15 116.187 0.136 . 1 . . . . . 115 Thr N . 27813 1 211 . 1 1 118 118 ASP H H 1 8.386 0.014 . 1 . . . . . 116 Asp H . 27813 1 212 . 1 1 118 118 ASP N N 15 121.960 0.070 . 1 . . . . . 116 Asp N . 27813 1 213 . 1 1 119 119 SER H H 1 8.045 0.017 . 1 . . . . . 117 Ser H . 27813 1 214 . 1 1 119 119 SER N N 15 115.299 0.151 . 1 . . . . . 117 Ser N . 27813 1 215 . 1 1 120 120 GLU H H 1 8.703 0.018 . 1 . . . . . 118 Glu H . 27813 1 216 . 1 1 120 120 GLU N N 15 120.891 0.104 . 1 . . . . . 118 Glu N . 27813 1 217 . 1 1 121 121 THR H H 1 7.479 0.018 . 1 . . . . . 119 Thr H . 27813 1 218 . 1 1 121 121 THR N N 15 108.428 0.160 . 1 . . . . . 119 Thr N . 27813 1 219 . 1 1 122 122 ALA H H 1 8.409 0.024 . 1 . . . . . 120 Ala H . 27813 1 220 . 1 1 122 122 ALA N N 15 124.244 0.167 . 1 . . . . . 120 Ala N . 27813 1 221 . 1 1 123 123 VAL H H 1 8.368 0.014 . 1 . . . . . 121 Val H . 27813 1 222 . 1 1 123 123 VAL N N 15 120.187 0.137 . 1 . . . . . 121 Val N . 27813 1 223 . 1 1 124 124 VAL H H 1 8.377 0.003 . 1 . . . . . 122 Val H . 27813 1 224 . 1 1 124 124 VAL N N 15 126.304 0.040 . 1 . . . . . 122 Val N . 27813 1 225 . 1 1 125 125 ASN H H 1 8.905 0.017 . 1 . . . . . 123 Asn H . 27813 1 226 . 1 1 125 125 ASN N N 15 122.460 0.119 . 1 . . . . . 123 Asn N . 27813 1 227 . 1 1 126 126 VAL H H 1 9.765 0.018 . 1 . . . . . 124 Val H . 27813 1 228 . 1 1 126 126 VAL N N 15 125.051 0.129 . 1 . . . . . 124 Val N . 27813 1 229 . 1 1 127 127 THR H H 1 7.423 0.031 . 1 . . . . . 125 Thr H . 27813 1 230 . 1 1 127 127 THR N N 15 107.813 0.234 . 1 . . . . . 125 Thr N . 27813 1 231 . 1 1 128 128 TYR H H 1 8.757 0.014 . 1 . . . . . 126 Tyr H . 27813 1 232 . 1 1 128 128 TYR N N 15 126.821 0.049 . 1 . . . . . 126 Tyr N . 27813 1 233 . 1 1 129 129 SER H H 1 8.515 0.008 . 1 . . . . . 127 Ser H . 27813 1 234 . 1 1 129 129 SER N N 15 111.789 0.293 . 1 . . . . . 127 Ser N . 27813 1 235 . 1 1 130 130 SER H H 1 7.456 0.006 . 1 . . . . . 128 Ser H . 27813 1 236 . 1 1 130 130 SER N N 15 108.800 1.308 . 1 . . . . . 128 Ser N . 27813 1 237 . 1 1 131 131 LYS H H 1 8.125 0.018 . 1 . . . . . 129 Lys H . 27813 1 238 . 1 1 131 131 LYS N N 15 111.246 0.258 . 1 . . . . . 129 Lys N . 27813 1 239 . 1 1 132 132 ASP H H 1 8.420 0.024 . 1 . . . . . 130 Asp H . 27813 1 240 . 1 1 132 132 ASP N N 15 120.512 0.158 . 1 . . . . . 130 Asp N . 27813 1 241 . 1 1 133 133 GLN H H 1 7.292 0.017 . 1 . . . . . 131 Gln H . 27813 1 242 . 1 1 133 133 GLN N N 15 120.256 0.077 . 1 . . . . . 131 Gln N . 27813 1 243 . 1 1 134 134 ALA H H 1 7.143 0.010 . 1 . . . . . 132 Ala H . 27813 1 244 . 1 1 134 134 ALA N N 15 118.151 0.052 . 1 . . . . . 132 Ala N . 27813 1 245 . 1 1 135 135 ARG H H 1 7.765 0.028 . 1 . . . . . 133 Arg H . 27813 1 246 . 1 1 135 135 ARG N N 15 115.838 0.081 . 1 . . . . . 133 Arg N . 27813 1 247 . 1 1 136 136 GLN H H 1 7.420 0.026 . 1 . . . . . 134 Gln H . 27813 1 248 . 1 1 136 136 GLN N N 15 118.275 0.126 . 1 . . . . . 134 Gln N . 27813 1 249 . 1 1 137 137 ALA H H 1 7.762 0.019 . 1 . . . . . 135 Ala H . 27813 1 250 . 1 1 137 137 ALA N N 15 120.899 0.143 . 1 . . . . . 135 Ala N . 27813 1 251 . 1 1 138 138 LEU H H 1 8.002 0.021 . 1 . . . . . 136 Leu H . 27813 1 252 . 1 1 138 138 LEU N N 15 118.914 0.136 . 1 . . . . . 136 Leu N . 27813 1 253 . 1 1 139 139 ASP H H 1 7.631 0.016 . 1 . . . . . 137 Asp H . 27813 1 254 . 1 1 139 139 ASP N N 15 116.051 0.117 . 1 . . . . . 137 Asp N . 27813 1 255 . 1 1 140 140 LYS H H 1 7.612 0.011 . 1 . . . . . 138 Lys H . 27813 1 256 . 1 1 140 140 LYS N N 15 115.130 0.128 . 1 . . . . . 138 Lys N . 27813 1 257 . 1 1 141 141 LEU H H 1 8.588 0.011 . 1 . . . . . 139 Leu H . 27813 1 258 . 1 1 141 141 LEU N N 15 117.156 0.104 . 1 . . . . . 139 Leu N . 27813 1 259 . 1 1 142 142 ASN H H 1 7.489 0.013 . 1 . . . . . 140 Asn H . 27813 1 260 . 1 1 142 142 ASN N N 15 116.442 0.069 . 1 . . . . . 140 Asn N . 27813 1 261 . 1 1 143 143 GLY H H 1 8.793 0.010 . 1 . . . . . 141 Gly H . 27813 1 262 . 1 1 143 143 GLY N N 15 117.838 0.033 . 1 . . . . . 141 Gly N . 27813 1 263 . 1 1 144 144 PHE H H 1 7.964 0.010 . 1 . . . . . 142 Phe H . 27813 1 264 . 1 1 144 144 PHE N N 15 124.324 0.049 . 1 . . . . . 142 Phe N . 27813 1 265 . 1 1 145 145 GLN H H 1 7.653 0.013 . 1 . . . . . 143 Gln H . 27813 1 266 . 1 1 145 145 GLN N N 15 126.989 0.056 . 1 . . . . . 143 Gln N . 27813 1 267 . 1 1 146 146 LEU H H 1 8.862 0.010 . 1 . . . . . 144 Leu H . 27813 1 268 . 1 1 146 146 LEU N N 15 128.859 0.054 . 1 . . . . . 144 Leu N . 27813 1 269 . 1 1 147 147 GLU H H 1 9.088 0.006 . 1 . . . . . 145 Glu H . 27813 1 270 . 1 1 147 147 GLU N N 15 123.035 0.046 . 1 . . . . . 145 Glu N . 27813 1 271 . 1 1 148 148 ASN H H 1 8.582 0.015 . 1 . . . . . 146 Asn H . 27813 1 272 . 1 1 148 148 ASN N N 15 112.488 0.138 . 1 . . . . . 146 Asn N . 27813 1 273 . 1 1 149 149 PHE H H 1 8.378 0.032 . 1 . . . . . 147 Phe H . 27813 1 274 . 1 1 149 149 PHE N N 15 121.872 0.255 . 1 . . . . . 147 Phe N . 27813 1 275 . 1 1 150 150 THR H H 1 8.379 0.015 . 1 . . . . . 148 Thr H . 27813 1 276 . 1 1 150 150 THR N N 15 117.613 0.089 . 1 . . . . . 148 Thr N . 27813 1 277 . 1 1 151 151 LEU H H 1 9.318 0.008 . 1 . . . . . 149 Leu H . 27813 1 278 . 1 1 151 151 LEU N N 15 128.245 0.044 . 1 . . . . . 149 Leu N . 27813 1 279 . 1 1 152 152 LYS H H 1 7.857 0.012 . 1 . . . . . 150 Lys H . 27813 1 280 . 1 1 152 152 LYS N N 15 122.172 0.083 . 1 . . . . . 150 Lys N . 27813 1 281 . 1 1 153 153 VAL H H 1 8.256 0.028 . 1 . . . . . 151 Val H . 27813 1 282 . 1 1 153 153 VAL N N 15 123.599 0.126 . 1 . . . . . 151 Val N . 27813 1 283 . 1 1 154 154 ALA H H 1 7.639 0.008 . 1 . . . . . 152 Ala H . 27813 1 284 . 1 1 154 154 ALA N N 15 121.795 0.041 . 1 . . . . . 152 Ala N . 27813 1 285 . 1 1 155 155 TYR H H 1 7.537 0.327 . 1 . . . . . 153 Tyr H . 27813 1 286 . 1 1 155 155 TYR N N 15 117.518 1.189 . 1 . . . . . 153 Tyr N . 27813 1 287 . 1 1 156 156 ILE H H 1 8.692 0.014 . 1 . . . . . 154 Ile H . 27813 1 288 . 1 1 156 156 ILE N N 15 128.259 0.038 . 1 . . . . . 154 Ile N . 27813 1 289 . 1 1 158 158 ASP H H 1 7.827 0.004 . 1 . . . . . 156 Asp H . 27813 1 290 . 1 1 158 158 ASP N N 15 125.589 0.030 . 1 . . . . . 156 Asp N . 27813 1 stop_ save_