################################### # 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_DRbeta_CLIP106flipped _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode DRbeta_CLIP106flipped _Assigned_chem_shift_list.Entry_ID 18308 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _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_N_H _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' . . . 18308 1 2 '3D HNCA' . . . 18308 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 . 2 2 7 7 ARG H H 1 8.046 0.003 . 1 . . . . . 6 ARG HN . 18308 1 2 . 2 2 7 7 ARG N N 15 122.350 0.022 . 1 . . . . . 6 ARG N . 18308 1 3 . 2 2 8 8 PHE H H 1 8.517 0.002 . 1 . . . . . 7 PHE HN . 18308 1 4 . 2 2 8 8 PHE N N 15 116.000 0.032 . 1 . . . . . 7 PHE N . 18308 1 5 . 2 2 9 9 LEU H H 1 8.751 0.004 . 1 . . . . . 8 LEU HN . 18308 1 6 . 2 2 9 9 LEU N N 15 125.758 0.029 . 1 . . . . . 8 LEU N . 18308 1 7 . 2 2 10 10 TRP H H 1 9.292 0.001 . 1 . . . . . 9 TRP HN . 18308 1 8 . 2 2 10 10 TRP N N 15 127.660 0.031 . 1 . . . . . 9 TRP N . 18308 1 9 . 2 2 12 12 LEU H H 1 8.500 0.001 . 1 . . . . . 11 LEU HN . 18308 1 10 . 2 2 12 12 LEU N N 15 123.593 0.001 . 1 . . . . . 11 LEU N . 18308 1 11 . 2 2 13 13 LYS H H 1 8.465 0.002 . 1 . . . . . 12 LYS HN . 18308 1 12 . 2 2 13 13 LYS N N 15 121.721 0.080 . 1 . . . . . 12 LYS N . 18308 1 13 . 2 2 14 14 PHE H H 1 9.346 0.002 . 1 . . . . . 13 PHE HN . 18308 1 14 . 2 2 14 14 PHE N N 15 120.287 0.022 . 1 . . . . . 13 PHE N . 18308 1 15 . 2 2 15 15 GLU H H 1 10.135 0.004 . 1 . . . . . 14 GLU HN . 18308 1 16 . 2 2 15 15 GLU N N 15 120.694 0.012 . 1 . . . . . 14 GLU N . 18308 1 17 . 2 2 16 16 CYS H H 1 9.580 0.012 . 1 . . . . . 15 CYS HN . 18308 1 18 . 2 2 16 16 CYS N N 15 123.931 0.110 . 1 . . . . . 15 CYS N . 18308 1 19 . 2 2 17 17 HIS H H 1 9.580 0.002 . 1 . . . . . 16 HIS HN . 18308 1 20 . 2 2 17 17 HIS N N 15 122.919 0.039 . 1 . . . . . 16 HIS N . 18308 1 21 . 2 2 18 18 PHE H H 1 9.155 0.002 . 1 . . . . . 17 PHE HN . 18308 1 22 . 2 2 18 18 PHE N N 15 121.285 0.001 . 1 . . . . . 17 PHE N . 18308 1 23 . 2 2 19 19 PHE H H 1 9.056 0.004 . 1 . . . . . 18 PHE HN . 18308 1 24 . 2 2 19 19 PHE N N 15 123.158 0.035 . 1 . . . . . 18 PHE N . 18308 1 25 . 2 2 20 20 ASN H H 1 8.641 0.002 . 1 . . . . . 19 ASN HN . 18308 1 26 . 2 2 20 20 ASN N N 15 120.429 0.040 . 1 . . . . . 19 ASN N . 18308 1 27 . 2 2 21 21 GLY H H 1 8.777 0.003 . 1 . . . . . 20 GLY HN . 18308 1 28 . 2 2 21 21 GLY N N 15 110.674 0.037 . 1 . . . . . 20 GLY N . 18308 1 29 . 2 2 22 22 THR H H 1 8.363 0.002 . 1 . . . . . 21 THR HN . 18308 1 30 . 2 2 22 22 THR N N 15 112.276 0.012 . 1 . . . . . 21 THR N . 18308 1 31 . 2 2 23 23 GLU H H 1 7.916 0.005 . 1 . . . . . 22 GLU HN . 18308 1 32 . 2 2 23 23 GLU N N 15 123.921 0.024 . 1 . . . . . 22 GLU N . 18308 1 33 . 2 2 24 24 ARG H H 1 7.815 0.001 . 1 . . . . . 23 ARG HN . 18308 1 34 . 2 2 24 24 ARG N N 15 116.782 0.061 . 1 . . . . . 23 ARG N . 18308 1 35 . 2 2 25 25 VAL H H 1 8.241 0.002 . 1 . . . . . 24 VAL HN . 18308 1 36 . 2 2 25 25 VAL N N 15 124.041 0.135 . 1 . . . . . 24 VAL N . 18308 1 37 . 2 2 26 26 ARG H H 1 8.917 0.001 . 1 . . . . . 25 ARG HN . 18308 1 38 . 2 2 26 26 ARG N N 15 128.096 0.096 . 1 . . . . . 25 ARG N . 18308 1 39 . 2 2 27 27 LEU H H 1 9.264 0.002 . 1 . . . . . 26 LEU HN . 18308 1 40 . 2 2 27 27 LEU N N 15 130.368 0.029 . 1 . . . . . 26 LEU N . 18308 1 41 . 2 2 28 28 LEU H H 1 9.551 0.008 . 1 . . . . . 27 LEU HN . 18308 1 42 . 2 2 28 28 LEU N N 15 126.168 0.081 . 1 . . . . . 27 LEU N . 18308 1 43 . 2 2 29 29 GLU H H 1 9.469 0.012 . 1 . . . . . 28 GLU HN . 18308 1 44 . 2 2 29 29 GLU N N 15 127.098 0.037 . 1 . . . . . 28 GLU N . 18308 1 45 . 2 2 30 30 ARG H H 1 9.536 0.002 . 1 . . . . . 29 ARG HN . 18308 1 46 . 2 2 30 30 ARG N N 15 124.306 0.026 . 1 . . . . . 29 ARG N . 18308 1 47 . 2 2 31 31 CYS H H 1 8.171 0.002 . 1 . . . . . 30 CYS HN . 18308 1 48 . 2 2 31 31 CYS N N 15 120.788 0.045 . 1 . . . . . 30 CYS N . 18308 1 49 . 2 2 32 32 ILE H H 1 8.438 0.007 . 1 . . . . . 31 ILE HN . 18308 1 50 . 2 2 32 32 ILE N N 15 123.613 0.087 . 1 . . . . . 31 ILE N . 18308 1 51 . 2 2 33 33 TYR H H 1 8.400 0.004 . 1 . . . . . 32 TYR HN . 18308 1 52 . 2 2 33 33 TYR N N 15 129.220 0.043 . 1 . . . . . 32 TYR N . 18308 1 53 . 2 2 34 34 ASN H H 1 7.915 0.005 . 1 . . . . . 33 ASN HN . 18308 1 54 . 2 2 34 34 ASN N N 15 120.110 0.051 . 1 . . . . . 33 ASN N . 18308 1 55 . 2 2 35 35 GLN H H 1 7.869 0.003 . 1 . . . . . 34 GLN HN . 18308 1 56 . 2 2 35 35 GLN N N 15 124.638 0.059 . 1 . . . . . 34 GLN N . 18308 1 57 . 2 2 36 36 GLU H H 1 8.142 0.001 . 1 . . . . . 35 GLU HN . 18308 1 58 . 2 2 36 36 GLU N N 15 124.186 0.054 . 1 . . . . . 35 GLU N . 18308 1 59 . 2 2 37 37 GLU H H 1 8.688 0.001 . 1 . . . . . 36 GLU HN . 18308 1 60 . 2 2 37 37 GLU N N 15 129.911 0.048 . 1 . . . . . 36 GLU N . 18308 1 61 . 2 2 38 38 SER H H 1 9.364 0.004 . 1 . . . . . 37 SER HN . 18308 1 62 . 2 2 38 38 SER N N 15 121.111 0.038 . 1 . . . . . 37 SER N . 18308 1 63 . 2 2 40 40 ARG H H 1 8.663 0.016 . 1 . . . . . 39 ARG HN . 18308 1 64 . 2 2 40 40 ARG N N 15 121.599 0.010 . 1 . . . . . 39 ARG N . 18308 1 65 . 2 2 41 41 PHE H H 1 9.914 0.003 . 1 . . . . . 40 PHE HN . 18308 1 66 . 2 2 41 41 PHE N N 15 126.966 0.031 . 1 . . . . . 40 PHE N . 18308 1 67 . 2 2 42 42 ASP H H 1 6.393 0.011 . 1 . . . . . 41 ASP HN . 18308 1 68 . 2 2 42 42 ASP N N 15 126.781 0.027 . 1 . . . . . 41 ASP N . 18308 1 69 . 2 2 44 44 ASP H H 1 8.775 0.013 . 1 . . . . . 43 ASP HN . 18308 1 70 . 2 2 44 44 ASP N N 15 122.858 0.123 . 1 . . . . . 43 ASP N . 18308 1 71 . 2 2 45 45 VAL H H 1 7.349 0.001 . 1 . . . . . 44 VAL HN . 18308 1 72 . 2 2 45 45 VAL N N 15 117.751 0.087 . 1 . . . . . 44 VAL N . 18308 1 73 . 2 2 46 46 GLY H H 1 8.320 0.005 . 1 . . . . . 45 GLY HN . 18308 1 74 . 2 2 46 46 GLY N N 15 103.998 0.034 . 1 . . . . . 45 GLY N . 18308 1 75 . 2 2 47 47 GLU H H 1 6.973 0.001 . 1 . . . . . 46 GLU HN . 18308 1 76 . 2 2 47 47 GLU N N 15 113.811 0.050 . 1 . . . . . 46 GLU N . 18308 1 77 . 2 2 48 48 TYR H H 1 10.470 0.005 . 1 . . . . . 47 TYR HN . 18308 1 78 . 2 2 48 48 TYR N N 15 119.933 0.093 . 1 . . . . . 47 TYR N . 18308 1 79 . 2 2 49 49 ARG H H 1 9.178 0.002 . 1 . . . . . 48 ARG HN . 18308 1 80 . 2 2 49 49 ARG N N 15 119.543 0.047 . 1 . . . . . 48 ARG N . 18308 1 81 . 2 2 50 50 ALA H H 1 9.129 0.002 . 1 . . . . . 49 ALA HN . 18308 1 82 . 2 2 50 50 ALA N N 15 125.894 0.010 . 1 . . . . . 49 ALA N . 18308 1 83 . 2 2 51 51 VAL H H 1 8.613 0.018 . 1 . . . . . 50 VAL HN . 18308 1 84 . 2 2 51 51 VAL N N 15 126.579 0.165 . 1 . . . . . 50 VAL N . 18308 1 85 . 2 2 52 52 THR H H 1 7.729 0.007 . 1 . . . . . 51 THR HN . 18308 1 86 . 2 2 52 52 THR N N 15 108.364 0.049 . 1 . . . . . 51 THR N . 18308 1 87 . 2 2 53 53 GLU H H 1 8.828 0.002 . 1 . . . . . 52 GLU HN . 18308 1 88 . 2 2 53 53 GLU N N 15 119.706 0.074 . 1 . . . . . 52 GLU N . 18308 1 89 . 2 2 54 54 LEU H H 1 7.900 0.021 . 1 . . . . . 53 LEU HN . 18308 1 90 . 2 2 54 54 LEU N N 15 118.785 0.160 . 1 . . . . . 53 LEU N . 18308 1 91 . 2 2 55 55 GLY H H 1 7.643 . . . . . . . . 54 GLY HN . 18308 1 92 . 2 2 55 55 GLY N N 15 100.906 . . . . . . . . 54 GLY N . 18308 1 93 . 2 2 56 56 ARG H H 1 7.584 0.012 . 1 . . . . . 55 ARG HN . 18308 1 94 . 2 2 56 56 ARG N N 15 121.589 0.126 . 1 . . . . . 55 ARG N . 18308 1 95 . 2 2 58 58 ASP H H 1 6.681 . . . . . . . . 57 ASP HN . 18308 1 96 . 2 2 58 58 ASP N N 15 116.227 0.058 . 1 . . . . . 57 ASP N . 18308 1 97 . 2 2 59 59 ALA H H 1 7.580 0.008 . 1 . . . . . 58 ALA HN . 18308 1 98 . 2 2 59 59 ALA N N 15 118.416 0.063 . 1 . . . . . 58 ALA N . 18308 1 99 . 2 2 62 62 TRP H H 1 9.026 0.008 . 1 . . . . . 61 TRP HN . 18308 1 100 . 2 2 62 62 TRP N N 15 123.509 0.045 . 1 . . . . . 61 TRP N . 18308 1 101 . 2 2 63 63 ASN H H 1 8.286 0.001 . 1 . . . . . 62 ASN HN . 18308 1 102 . 2 2 63 63 ASN N N 15 113.370 0.060 . 1 . . . . . 62 ASN N . 18308 1 103 . 2 2 64 64 SER H H 1 7.751 0.005 . 1 . . . . . 63 SER HN . 18308 1 104 . 2 2 64 64 SER N N 15 113.820 0.060 . 1 . . . . . 63 SER N . 18308 1 105 . 2 2 65 65 GLN H H 1 7.748 0.001 . 1 . . . . . 64 GLN HN . 18308 1 106 . 2 2 65 65 GLN N N 15 123.624 0.110 . 1 . . . . . 64 GLN N . 18308 1 107 . 2 2 66 66 LYS H H 1 8.225 0.003 . 1 . . . . . 65 LYS HN . 18308 1 108 . 2 2 66 66 LYS N N 15 123.677 0.038 . 1 . . . . . 65 LYS N . 18308 1 109 . 2 2 67 67 ASP H H 1 8.942 . . . . . . . . 66 ASP HN . 18308 1 110 . 2 2 67 67 ASP N N 15 116.644 . . . . . . . . 66 ASP N . 18308 1 111 . 2 2 68 68 LEU H H 1 7.316 0.027 . 1 . . . . . 67 LEU HN . 18308 1 112 . 2 2 68 68 LEU N N 15 122.488 0.200 . 1 . . . . . 67 LEU N . 18308 1 113 . 2 2 73 73 ARG H H 1 8.446 0.017 . 1 . . . . . 72 ARG HN . 18308 1 114 . 2 2 73 73 ARG N N 15 117.298 0.205 . 1 . . . . . 72 ARG N . 18308 1 115 . 2 2 74 74 ALA H H 1 7.751 0.003 . 1 . . . . . 73 ALA HN . 18308 1 116 . 2 2 74 74 ALA N N 15 119.434 0.033 . 1 . . . . . 73 ALA N . 18308 1 117 . 2 2 75 75 ALA H H 1 7.734 0.010 . 1 . . . . . 74 ALA HN . 18308 1 118 . 2 2 75 75 ALA N N 15 121.989 0.096 . 1 . . . . . 74 ALA N . 18308 1 119 . 2 2 76 76 VAL H H 1 7.919 0.008 . 1 . . . . . 75 VAL HN . 18308 1 120 . 2 2 76 76 VAL N N 15 117.272 0.088 . 1 . . . . . 75 VAL N . 18308 1 121 . 2 2 77 77 ASP H H 1 7.831 0.009 . 1 . . . . . 76 ASP HN . 18308 1 122 . 2 2 77 77 ASP N N 15 118.343 0.009 . 1 . . . . . 76 ASP N . 18308 1 123 . 2 2 78 78 THR H H 1 8.515 0.010 . 1 . . . . . 77 THR HN . 18308 1 124 . 2 2 78 78 THR N N 15 110.024 0.015 . 1 . . . . . 77 THR N . 18308 1 125 . 2 2 79 79 TYR H H 1 8.292 0.004 . 1 . . . . . 78 TYR HN . 18308 1 126 . 2 2 79 79 TYR N N 15 120.365 0.165 . 1 . . . . . 78 TYR N . 18308 1 127 . 2 2 82 82 HIS H H 1 6.687 0.006 . 1 . . . . . 81 HIS HN . 18308 1 128 . 2 2 82 82 HIS N N 15 116.494 0.006 . 1 . . . . . 81 HIS N . 18308 1 129 . 2 2 85 85 GLY H H 1 7.783 0.032 . 1 . . . . . 84 GLY HN . 18308 1 130 . 2 2 85 85 GLY N N 15 103.297 0.101 . 1 . . . . . 84 GLY N . 18308 1 131 . 2 2 86 86 VAL H H 1 7.579 0.002 . 1 . . . . . 85 VAL HN . 18308 1 132 . 2 2 86 86 VAL N N 15 119.863 0.166 . 1 . . . . . 85 VAL N . 18308 1 133 . 2 2 87 87 GLY H H 1 7.667 . . . . . . . . 86 GLY HN . 18308 1 134 . 2 2 87 87 GLY N N 15 101.775 . . . . . . . . 86 GLY N . 18308 1 135 . 2 2 88 88 GLU H H 1 7.569 0.003 . 1 . . . . . 87 GLU HN . 18308 1 136 . 2 2 88 88 GLU N N 15 124.472 0.021 . 1 . . . . . 87 GLU N . 18308 1 137 . 2 2 89 89 SER H H 1 8.313 0.004 . 1 . . . . . 88 SER HN . 18308 1 138 . 2 2 89 89 SER N N 15 110.425 0.018 . 1 . . . . . 88 SER N . 18308 1 139 . 2 2 90 90 PHE H H 1 6.598 0.002 . 1 . . . . . 89 PHE HN . 18308 1 140 . 2 2 90 90 PHE N N 15 112.519 0.084 . 1 . . . . . 89 PHE N . 18308 1 141 . 2 2 91 91 THR H H 1 6.445 0.006 . 1 . . . . . 90 THR HN . 18308 1 142 . 2 2 91 91 THR N N 15 108.966 0.026 . 1 . . . . . 90 THR N . 18308 1 143 . 2 2 93 93 GLN H H 1 7.313 0.020 . 1 . . . . . 92 GLN HN . 18308 1 144 . 2 2 93 93 GLN N N 15 111.539 0.122 . 1 . . . . . 92 GLN N . 18308 1 145 . 2 2 94 94 ARG H H 1 7.206 0.004 . 1 . . . . . 93 ARG HN . 18308 1 146 . 2 2 94 94 ARG N N 15 121.196 0.008 . 1 . . . . . 93 ARG N . 18308 1 147 . 2 2 95 95 ARG H H 1 8.639 0.002 . 1 . . . . . 94 ARG HN . 18308 1 148 . 2 2 95 95 ARG N N 15 127.753 0.080 . 1 . . . . . 94 ARG N . 18308 1 149 . 2 2 96 96 VAL H H 1 9.601 0.007 . 1 . . . . . 95 VAL HN . 18308 1 150 . 2 2 96 96 VAL N N 15 125.080 0.004 . 1 . . . . . 95 VAL N . 18308 1 151 . 2 2 97 97 GLU H H 1 8.739 . . . . . . . . 96 GLU HN . 18308 1 152 . 2 2 97 97 GLU N N 15 127.630 0.011 . 1 . . . . . 96 GLU N . 18308 1 153 . 2 2 99 99 LYS H H 1 8.897 0.003 . 1 . . . . . 98 LYS HN . 18308 1 154 . 2 2 99 99 LYS N N 15 120.588 0.061 . 1 . . . . . 98 LYS N . 18308 1 155 . 2 2 100 100 VAL H H 1 8.706 0.004 . 1 . . . . . 99 VAL HN . 18308 1 156 . 2 2 100 100 VAL N N 15 126.501 0.043 . 1 . . . . . 99 VAL N . 18308 1 157 . 2 2 101 101 THR H H 1 9.029 0.001 . 1 . . . . . 100 THR HN . 18308 1 158 . 2 2 101 101 THR N N 15 121.541 0.065 . 1 . . . . . 100 THR N . 18308 1 159 . 2 2 102 102 VAL H H 1 8.494 0.002 . 1 . . . . . 101 VAL HN . 18308 1 160 . 2 2 102 102 VAL N N 15 123.810 0.030 . 1 . . . . . 101 VAL N . 18308 1 161 . 2 2 117 117 VAL H H 1 8.647 0.007 . 1 . . . . . 116 VAL HN . 18308 1 162 . 2 2 117 117 VAL N N 15 122.308 0.121 . 1 . . . . . 116 VAL N . 18308 1 163 . 2 2 118 118 CYS H H 1 8.852 0.001 . 1 . . . . . 117 CYS HN . 18308 1 164 . 2 2 118 118 CYS N N 15 126.214 0.058 . 1 . . . . . 117 CYS N . 18308 1 165 . 2 2 119 119 SER H H 1 9.291 . . . . . . . . 118 SER HN . 18308 1 166 . 2 2 119 119 SER N N 15 121.590 0.039 . 1 . . . . . 118 SER N . 18308 1 167 . 2 2 120 120 VAL H H 1 8.772 0.002 . 1 . . . . . 119 VAL HN . 18308 1 168 . 2 2 120 120 VAL N N 15 129.683 0.012 . 1 . . . . . 119 VAL N . 18308 1 169 . 2 2 121 121 SER H H 1 9.524 0.002 . 1 . . . . . 120 SER HN . 18308 1 170 . 2 2 121 121 SER N N 15 119.982 0.034 . 1 . . . . . 120 SER N . 18308 1 171 . 2 2 122 122 GLY H H 1 8.288 0.003 . 1 . . . . . 121 GLY HN . 18308 1 172 . 2 2 122 122 GLY N N 15 110.319 0.027 . 1 . . . . . 121 GLY N . 18308 1 173 . 2 2 123 123 PHE H H 1 7.437 0.004 . 1 . . . . . 122 PHE HN . 18308 1 174 . 2 2 123 123 PHE N N 15 110.334 0.006 . 1 . . . . . 122 PHE N . 18308 1 175 . 2 2 124 124 TYR H H 1 8.822 0.005 . 1 . . . . . 123 TYR HN . 18308 1 176 . 2 2 124 124 TYR N N 15 118.665 0.030 . 1 . . . . . 123 TYR N . 18308 1 177 . 2 2 126 126 GLY H H 1 8.825 0.006 . 1 . . . . . 125 GLY HN . 18308 1 178 . 2 2 126 126 GLY N N 15 109.129 0.073 . 1 . . . . . 125 GLY N . 18308 1 179 . 2 2 127 127 SER H H 1 7.114 0.001 . 1 . . . . . 126 SER HN . 18308 1 180 . 2 2 127 127 SER N N 15 114.838 0.022 . 1 . . . . . 126 SER N . 18308 1 181 . 2 2 128 128 ILE H H 1 8.083 0.001 . 1 . . . . . 127 ILE HN . 18308 1 182 . 2 2 128 128 ILE N N 15 122.863 0.035 . 1 . . . . . 127 ILE N . 18308 1 183 . 2 2 129 129 GLU H H 1 8.144 0.006 . 1 . . . . . 128 GLU HN . 18308 1 184 . 2 2 129 129 GLU N N 15 124.147 0.010 . 1 . . . . . 128 GLU N . 18308 1 185 . 2 2 130 130 VAL H H 1 8.526 0.005 . 1 . . . . . 129 VAL HN . 18308 1 186 . 2 2 130 130 VAL N N 15 125.782 0.015 . 1 . . . . . 129 VAL N . 18308 1 187 . 2 2 131 131 ARG H H 1 9.139 0.004 . 1 . . . . . 130 ARG HN . 18308 1 188 . 2 2 131 131 ARG N N 15 125.848 0.012 . 1 . . . . . 130 ARG N . 18308 1 189 . 2 2 132 132 TRP H H 1 8.871 0.005 . 1 . . . . . 131 TRP HN . 18308 1 190 . 2 2 132 132 TRP N N 15 120.272 0.045 . 1 . . . . . 131 TRP N . 18308 1 191 . 2 2 133 133 PHE H H 1 9.733 . . . . . . . . 132 PHE HN . 18308 1 192 . 2 2 133 133 PHE N N 15 117.825 0.021 . 1 . . . . . 132 PHE N . 18308 1 193 . 2 2 134 134 ARG H H 1 9.177 0.002 . 1 . . . . . 133 ARG HN . 18308 1 194 . 2 2 134 134 ARG N N 15 121.599 0.059 . 1 . . . . . 133 ARG N . 18308 1 195 . 2 2 135 135 ASN H H 1 9.764 0.003 . 1 . . . . . 134 ASN HN . 18308 1 196 . 2 2 135 135 ASN N N 15 127.464 0.069 . 1 . . . . . 134 ASN N . 18308 1 197 . 2 2 136 136 GLY H H 1 8.604 0.002 . 1 . . . . . 135 GLY HN . 18308 1 198 . 2 2 136 136 GLY N N 15 101.958 0.029 . 1 . . . . . 135 GLY N . 18308 1 199 . 2 2 137 137 GLN H H 1 8.056 0.002 . 1 . . . . . 136 GLN HN . 18308 1 200 . 2 2 137 137 GLN N N 15 120.331 0.051 . 1 . . . . . 136 GLN N . 18308 1 201 . 2 2 138 138 GLU H H 1 9.168 0.004 . 1 . . . . . 137 GLU HN . 18308 1 202 . 2 2 138 138 GLU N N 15 128.345 0.024 . 1 . . . . . 137 GLU N . 18308 1 203 . 2 2 139 139 GLU H H 1 8.796 0.003 . 1 . . . . . 138 GLU HN . 18308 1 204 . 2 2 139 139 GLU N N 15 128.572 0.058 . 1 . . . . . 138 GLU N . 18308 1 205 . 2 2 140 140 LYS H H 1 8.418 0.001 . 1 . . . . . 139 LYS HN . 18308 1 206 . 2 2 140 140 LYS N N 15 121.651 0.049 . 1 . . . . . 139 LYS N . 18308 1 207 . 2 2 141 141 ALA H H 1 8.506 0.001 . 1 . . . . . 140 ALA HN . 18308 1 208 . 2 2 141 141 ALA N N 15 124.375 0.042 . 1 . . . . . 140 ALA N . 18308 1 209 . 2 2 142 142 GLY H H 1 8.662 0.002 . 1 . . . . . 141 GLY HN . 18308 1 210 . 2 2 142 142 GLY N N 15 108.043 0.010 . 1 . . . . . 141 GLY N . 18308 1 211 . 2 2 143 143 VAL H H 1 7.268 0.004 . 1 . . . . . 142 VAL HN . 18308 1 212 . 2 2 143 143 VAL N N 15 119.096 0.057 . 1 . . . . . 142 VAL N . 18308 1 213 . 2 2 144 144 VAL H H 1 8.962 0.003 . 1 . . . . . 143 VAL HN . 18308 1 214 . 2 2 144 144 VAL N N 15 127.053 0.008 . 1 . . . . . 143 VAL N . 18308 1 215 . 2 2 145 145 SER H H 1 8.837 0.002 . 1 . . . . . 144 SER HN . 18308 1 216 . 2 2 145 145 SER N N 15 118.807 0.043 . 1 . . . . . 144 SER N . 18308 1 217 . 2 2 146 146 THR H H 1 8.596 0.003 . 1 . . . . . 145 THR HN . 18308 1 218 . 2 2 146 146 THR N N 15 114.400 0.084 . 1 . . . . . 145 THR N . 18308 1 219 . 2 2 147 147 GLY H H 1 8.621 0.001 . 1 . . . . . 146 GLY HN . 18308 1 220 . 2 2 147 147 GLY N N 15 108.250 0.091 . 1 . . . . . 146 GLY N . 18308 1 221 . 2 2 148 148 LEU H H 1 8.866 0.001 . 1 . . . . . 147 LEU HN . 18308 1 222 . 2 2 148 148 LEU N N 15 124.119 0.029 . 1 . . . . . 147 LEU N . 18308 1 223 . 2 2 149 149 ILE H H 1 9.056 0.003 . 1 . . . . . 148 ILE HN . 18308 1 224 . 2 2 149 149 ILE N N 15 127.162 0.013 . 1 . . . . . 148 ILE N . 18308 1 225 . 2 2 150 150 GLN H H 1 8.298 . . . . . . . . 149 GLN HN . 18308 1 226 . 2 2 150 150 GLN N N 15 127.049 0.052 . 1 . . . . . 149 GLN N . 18308 1 227 . 2 2 151 151 ASN H H 1 7.720 0.001 . 1 . . . . . 150 ASN HN . 18308 1 228 . 2 2 151 151 ASN N N 15 119.972 0.029 . 1 . . . . . 150 ASN N . 18308 1 229 . 2 2 152 152 GLY H H 1 8.577 0.017 . 1 . . . . . 151 GLY HN . 18308 1 230 . 2 2 152 152 GLY N N 15 109.505 0.059 . 1 . . . . . 151 GLY N . 18308 1 231 . 2 2 153 153 ASP H H 1 8.009 0.001 . 1 . . . . . 152 ASP HN . 18308 1 232 . 2 2 153 153 ASP N N 15 123.237 0.074 . 1 . . . . . 152 ASP N . 18308 1 233 . 2 2 154 154 TRP H H 1 7.800 0.016 . 1 . . . . . 153 TRP HN . 18308 1 234 . 2 2 154 154 TRP N N 15 111.954 0.163 . 1 . . . . . 153 TRP N . 18308 1 235 . 2 2 155 155 THR H H 1 7.550 0.001 . 1 . . . . . 154 THR HN . 18308 1 236 . 2 2 155 155 THR N N 15 107.119 0.042 . 1 . . . . . 154 THR N . 18308 1 237 . 2 2 156 156 PHE H H 1 8.436 0.002 . 1 . . . . . 155 PHE HN . 18308 1 238 . 2 2 156 156 PHE N N 15 118.834 0.063 . 1 . . . . . 155 PHE N . 18308 1 239 . 2 2 157 157 GLN H H 1 8.898 0.001 . 1 . . . . . 156 GLN HN . 18308 1 240 . 2 2 157 157 GLN N N 15 110.199 0.057 . 1 . . . . . 156 GLN N . 18308 1 241 . 2 2 158 158 THR H H 1 9.498 0.003 . 1 . . . . . 157 THR HN . 18308 1 242 . 2 2 158 158 THR N N 15 113.724 . . . . . . . . 157 THR N . 18308 1 243 . 2 2 159 159 LEU H H 1 8.275 0.005 . 1 . . . . . 158 LEU HN . 18308 1 244 . 2 2 159 159 LEU N N 15 126.632 0.050 . 1 . . . . . 158 LEU N . 18308 1 245 . 2 2 160 160 VAL H H 1 8.935 0.001 . 1 . . . . . 159 VAL HN . 18308 1 246 . 2 2 160 160 VAL N N 15 122.879 0.062 . 1 . . . . . 159 VAL N . 18308 1 247 . 2 2 161 161 MET H H 1 9.833 . . . . . . . . 160 MET HN . 18308 1 248 . 2 2 161 161 MET N N 15 129.910 0.028 . 1 . . . . . 160 MET N . 18308 1 249 . 2 2 162 162 LEU H H 1 8.801 0.003 . 1 . . . . . 161 LEU HN . 18308 1 250 . 2 2 162 162 LEU N N 15 122.688 0.037 . 1 . . . . . 161 LEU N . 18308 1 251 . 2 2 163 163 GLU H H 1 8.648 0.002 . 1 . . . . . 162 GLU HN . 18308 1 252 . 2 2 163 163 GLU N N 15 127.759 0.089 . 1 . . . . . 162 GLU N . 18308 1 253 . 2 2 167 167 ARG H H 1 8.723 0.002 . 1 . . . . . 166 ARG HN . 18308 1 254 . 2 2 167 167 ARG N N 15 122.369 0.023 . 1 . . . . . 166 ARG N . 18308 1 255 . 2 2 168 168 SER H H 1 8.574 0.006 . 1 . . . . . 167 SER HN . 18308 1 256 . 2 2 168 168 SER N N 15 116.316 0.061 . 1 . . . . . 167 SER N . 18308 1 257 . 2 2 169 169 GLY H H 1 8.664 0.007 . 1 . . . . . 168 GLY HN . 18308 1 258 . 2 2 169 169 GLY N N 15 113.332 0.015 . 1 . . . . . 168 GLY N . 18308 1 259 . 2 2 170 170 GLU H H 1 7.702 0.001 . 1 . . . . . 169 GLU HN . 18308 1 260 . 2 2 170 170 GLU N N 15 118.861 0.030 . 1 . . . . . 169 GLU N . 18308 1 261 . 2 2 171 171 VAL H H 1 8.191 0.003 . 1 . . . . . 170 VAL HN . 18308 1 262 . 2 2 171 171 VAL N N 15 120.750 0.041 . 1 . . . . . 170 VAL N . 18308 1 263 . 2 2 172 172 TYR H H 1 9.542 0.005 . 1 . . . . . 171 TYR HN . 18308 1 264 . 2 2 172 172 TYR N N 15 129.588 0.010 . 1 . . . . . 171 TYR N . 18308 1 265 . 2 2 173 173 THR H H 1 9.610 0.003 . 1 . . . . . 172 THR HN . 18308 1 266 . 2 2 173 173 THR N N 15 116.850 0.019 . 1 . . . . . 172 THR N . 18308 1 267 . 2 2 174 174 CYS H H 1 9.006 0.003 . 1 . . . . . 173 CYS HN . 18308 1 268 . 2 2 174 174 CYS N N 15 126.567 0.030 . 1 . . . . . 173 CYS N . 18308 1 269 . 2 2 175 175 GLN H H 1 9.320 0.002 . 1 . . . . . 174 GLN HN . 18308 1 270 . 2 2 175 175 GLN N N 15 128.058 0.047 . 1 . . . . . 174 GLN N . 18308 1 271 . 2 2 176 176 VAL H H 1 9.342 0.001 . 1 . . . . . 175 VAL HN . 18308 1 272 . 2 2 176 176 VAL N N 15 127.372 0.040 . 1 . . . . . 175 VAL N . 18308 1 273 . 2 2 177 177 GLU H H 1 8.861 0.002 . 1 . . . . . 176 GLU HN . 18308 1 274 . 2 2 177 177 GLU N N 15 125.655 0.007 . 1 . . . . . 176 GLU N . 18308 1 275 . 2 2 178 178 HIS H H 1 8.141 . . . . . . . . 177 HIS HN . 18308 1 276 . 2 2 178 178 HIS N N 15 123.957 . . . . . . . . 177 HIS N . 18308 1 277 . 2 2 180 180 SER H H 1 8.262 0.008 . 1 . . . . . 179 SER HN . 18308 1 278 . 2 2 180 180 SER N N 15 112.785 0.057 . 1 . . . . . 179 SER N . 18308 1 279 . 2 2 181 181 VAL H H 1 8.061 0.002 . 1 . . . . . 180 VAL HN . 18308 1 280 . 2 2 181 181 VAL N N 15 116.849 0.019 . 1 . . . . . 180 VAL N . 18308 1 281 . 2 2 182 182 THR H H 1 8.606 0.001 . 1 . . . . . 181 THR HN . 18308 1 282 . 2 2 182 182 THR N N 15 113.704 0.049 . 1 . . . . . 181 THR N . 18308 1 283 . 2 2 183 183 SER H H 1 7.660 0.002 . 1 . . . . . 182 SER HN . 18308 1 284 . 2 2 183 183 SER N N 15 116.884 0.017 . 1 . . . . . 182 SER N . 18308 1 285 . 2 2 185 185 LEU H H 1 8.861 0.001 . 1 . . . . . 184 LEU HN . 18308 1 286 . 2 2 185 185 LEU N N 15 124.676 0.047 . 1 . . . . . 184 LEU N . 18308 1 287 . 2 2 186 186 THR H H 1 8.393 0.001 . 1 . . . . . 185 THR HN . 18308 1 288 . 2 2 186 186 THR N N 15 113.574 0.029 . 1 . . . . . 185 THR N . 18308 1 289 . 2 2 187 187 VAL H H 1 8.574 0.003 . 1 . . . . . 186 VAL HN . 18308 1 290 . 2 2 187 187 VAL N N 15 123.248 0.037 . 1 . . . . . 186 VAL N . 18308 1 291 . 2 2 188 188 GLU H H 1 8.626 0.002 . 1 . . . . . 187 GLU HN . 18308 1 292 . 2 2 188 188 GLU N N 15 125.507 0.013 . 1 . . . . . 187 GLU N . 18308 1 293 . 2 2 189 189 TRP H H 1 9.870 0.004 . 1 . . . . . 188 TRP HN . 18308 1 294 . 2 2 189 189 TRP N N 15 125.624 0.059 . 1 . . . . . 188 TRP N . 18308 1 295 . 2 2 190 190 ARG H H 1 7.575 0.003 . 1 . . . . . 189 ARG HN . 18308 1 296 . 2 2 190 190 ARG N N 15 125.637 0.032 . 1 . . . . . 189 ARG N . 18308 1 297 . 2 2 191 191 ALA H H 1 8.332 . . . . . . . . 190 ALA HN . 18308 1 298 . 2 2 191 191 ALA N N 15 125.161 0.041 . 1 . . . . . 190 ALA N . 18308 1 299 . 2 2 192 192 ARG H H 1 8.274 0.001 . 1 . . . . . 191 ARG HN . 18308 1 300 . 2 2 192 192 ARG N N 15 121.539 0.043 . 1 . . . . . 191 ARG N . 18308 1 301 . 2 2 193 193 SER H H 1 8.417 0.012 . 1 . . . . . 192 SER HN . 18308 1 302 . 2 2 193 193 SER N N 15 117.170 0.019 . 1 . . . . . 192 SER N . 18308 1 303 . 2 2 194 194 GLU H H 1 8.646 0.001 . 1 . . . . . 193 GLU HN . 18308 1 304 . 2 2 194 194 GLU N N 15 123.008 0.021 . 1 . . . . . 193 GLU N . 18308 1 305 . 2 2 195 195 SER H H 1 8.358 0.002 . 1 . . . . . 194 SER HN . 18308 1 306 . 2 2 195 195 SER N N 15 116.334 0.022 . 1 . . . . . 194 SER N . 18308 1 307 . 2 2 196 196 ALA H H 1 8.344 0.001 . 1 . . . . . 195 ALA HN . 18308 1 308 . 2 2 196 196 ALA N N 15 125.702 0.043 . 1 . . . . . 195 ALA N . 18308 1 309 . 2 2 197 197 GLN H H 1 8.302 0.001 . 1 . . . . . 196 GLN HN . 18308 1 310 . 2 2 197 197 GLN N N 15 118.933 0.005 . 1 . . . . . 196 GLN N . 18308 1 311 . 2 2 198 198 SER H H 1 8.310 0.005 . 1 . . . . . 197 SER HN . 18308 1 312 . 2 2 198 198 SER N N 15 117.524 0.057 . 1 . . . . . 197 SER N . 18308 1 313 . 2 2 199 199 LYS H H 1 7.977 0.001 . 1 . . . . . 198 LYS HN . 18308 1 314 . 2 2 199 199 LYS N N 15 128.003 0.021 . 1 . . . . . 198 LYS N . 18308 1 stop_ save_