################################### # 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 18748 _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' . . . 18748 1 2 '2D 1H-15N HSQC' . . . 18748 1 3 '3D HNCO' . . . 18748 1 4 '3D HNCACB' . . . 18748 1 5 '3D CBCA(CO)NH' . . . 18748 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 15 15 PRO C C 13 176.028 0.000 . 1 . . . . 15 Pro C . 18748 1 2 . 1 1 15 15 PRO CA C 13 63.020 0.017 . 1 . . . . 15 Pro CA . 18748 1 3 . 1 1 15 15 PRO CB C 13 32.059 0.019 . 1 . . . . 15 Pro CB . 18748 1 4 . 1 1 16 16 THR H H 1 8.557 0.005 . 1 . . . . 16 Thr H . 18748 1 5 . 1 1 16 16 THR C C 13 173.215 0.000 . 1 . . . . 16 Thr C . 18748 1 6 . 1 1 16 16 THR CA C 13 62.328 0.042 . 1 . . . . 16 Thr CA . 18748 1 7 . 1 1 16 16 THR CB C 13 70.135 0.022 . 1 . . . . 16 Thr CB . 18748 1 8 . 1 1 16 16 THR N N 15 116.656 0.025 . 1 . . . . 16 Thr N . 18748 1 9 . 1 1 17 17 TYR H H 1 8.742 0.003 . 1 . . . . 17 Tyr H . 18748 1 10 . 1 1 17 17 TYR C C 13 175.708 0.000 . 1 . . . . 17 Tyr C . 18748 1 11 . 1 1 17 17 TYR CA C 13 57.120 0.001 . 1 . . . . 17 Tyr CA . 18748 1 12 . 1 1 17 17 TYR CB C 13 42.159 0.009 . 1 . . . . 17 Tyr CB . 18748 1 13 . 1 1 17 17 TYR N N 15 123.522 0.037 . 1 . . . . 17 Tyr N . 18748 1 14 . 1 1 18 18 VAL H H 1 8.826 0.002 . 1 . . . . 18 Val H . 18748 1 15 . 1 1 18 18 VAL C C 13 173.177 0.000 . 1 . . . . 18 Val C . 18748 1 16 . 1 1 18 18 VAL CA C 13 58.510 0.034 . 1 . . . . 18 Val CA . 18748 1 17 . 1 1 18 18 VAL CB C 13 35.713 0.031 . 1 . . . . 18 Val CB . 18748 1 18 . 1 1 18 18 VAL N N 15 112.759 0.014 . 1 . . . . 18 Val N . 18748 1 19 . 1 1 19 19 GLN H H 1 9.143 0.001 . 1 . . . . 19 Gln H . 18748 1 20 . 1 1 19 19 GLN C C 13 175.403 0.000 . 1 . . . . 19 Gln C . 18748 1 21 . 1 1 19 19 GLN CA C 13 53.074 0.000 . 1 . . . . 19 Gln CA . 18748 1 22 . 1 1 19 19 GLN CB C 13 31.793 0.003 . 1 . . . . 19 Gln CB . 18748 1 23 . 1 1 19 19 GLN N N 15 120.901 0.029 . 1 . . . . 19 Gln N . 18748 1 24 . 1 1 20 20 ALA H H 1 8.686 0.002 . 1 . . . . 20 Ala H . 18748 1 25 . 1 1 20 20 ALA C C 13 179.154 0.000 . 1 . . . . 20 Ala C . 18748 1 26 . 1 1 20 20 ALA CA C 13 52.811 0.037 . 1 . . . . 20 Ala CA . 18748 1 27 . 1 1 20 20 ALA CB C 13 21.179 0.010 . 1 . . . . 20 Ala CB . 18748 1 28 . 1 1 20 20 ALA N N 15 127.228 0.024 . 1 . . . . 20 Ala N . 18748 1 29 . 1 1 21 21 LEU H H 1 9.510 0.002 . 1 . . . . 21 Leu H . 18748 1 30 . 1 1 21 21 LEU C C 13 175.164 0.000 . 1 . . . . 21 Leu C . 18748 1 31 . 1 1 21 21 LEU CA C 13 55.433 0.001 . 1 . . . . 21 Leu CA . 18748 1 32 . 1 1 21 21 LEU CB C 13 43.592 0.001 . 1 . . . . 21 Leu CB . 18748 1 33 . 1 1 21 21 LEU N N 15 126.276 0.024 . 1 . . . . 21 Leu N . 18748 1 34 . 1 1 22 22 PHE H H 1 7.139 0.002 . 1 . . . . 22 Phe H . 18748 1 35 . 1 1 22 22 PHE C C 13 173.614 0.000 . 1 . . . . 22 Phe C . 18748 1 36 . 1 1 22 22 PHE CA C 13 54.161 0.005 . 1 . . . . 22 Phe CA . 18748 1 37 . 1 1 22 22 PHE CB C 13 43.647 0.000 . 1 . . . . 22 Phe CB . 18748 1 38 . 1 1 22 22 PHE N N 15 113.056 0.027 . 1 . . . . 22 Phe N . 18748 1 39 . 1 1 23 23 ASP H H 1 8.448 0.003 . 1 . . . . 23 Asp H . 18748 1 40 . 1 1 23 23 ASP C C 13 175.517 0.000 . 1 . . . . 23 Asp C . 18748 1 41 . 1 1 23 23 ASP CA C 13 54.906 0.014 . 1 . . . . 23 Asp CA . 18748 1 42 . 1 1 23 23 ASP CB C 13 41.549 0.002 . 1 . . . . 23 Asp CB . 18748 1 43 . 1 1 23 23 ASP N N 15 118.118 0.015 . 1 . . . . 23 Asp N . 18748 1 44 . 1 1 24 24 PHE H H 1 8.451 0.002 . 1 . . . . 24 Phe H . 18748 1 45 . 1 1 24 24 PHE C C 13 172.830 0.000 . 1 . . . . 24 Phe C . 18748 1 46 . 1 1 24 24 PHE CA C 13 57.114 0.006 . 1 . . . . 24 Phe CA . 18748 1 47 . 1 1 24 24 PHE CB C 13 42.344 0.002 . 1 . . . . 24 Phe CB . 18748 1 48 . 1 1 24 24 PHE N N 15 122.206 0.020 . 1 . . . . 24 Phe N . 18748 1 49 . 1 1 25 25 ASP H H 1 7.837 0.002 . 1 . . . . 25 Asp H . 18748 1 50 . 1 1 25 25 ASP CA C 13 50.139 0.000 . 1 . . . . 25 Asp CA . 18748 1 51 . 1 1 25 25 ASP CB C 13 41.525 0.000 . 1 . . . . 25 Asp CB . 18748 1 52 . 1 1 25 25 ASP N N 15 128.331 0.024 . 1 . . . . 25 Asp N . 18748 1 53 . 1 1 26 26 PRO C C 13 176.951 0.000 . 1 . . . . 26 Pro C . 18748 1 54 . 1 1 26 26 PRO CA C 13 62.791 0.000 . 1 . . . . 26 Pro CA . 18748 1 55 . 1 1 26 26 PRO CB C 13 33.326 0.002 . 1 . . . . 26 Pro CB . 18748 1 56 . 1 1 27 27 GLN H H 1 9.196 0.005 . 1 . . . . 27 Gln H . 18748 1 57 . 1 1 27 27 GLN C C 13 175.573 0.000 . 1 . . . . 27 Gln C . 18748 1 58 . 1 1 27 27 GLN CA C 13 55.727 0.039 . 1 . . . . 27 Gln CA . 18748 1 59 . 1 1 27 27 GLN CB C 13 31.108 0.015 . 1 . . . . 27 Gln CB . 18748 1 60 . 1 1 27 27 GLN N N 15 120.786 0.030 . 1 . . . . 27 Gln N . 18748 1 61 . 1 1 28 28 GLU H H 1 7.591 0.002 . 1 . . . . 28 Glu H . 18748 1 62 . 1 1 28 28 GLU C C 13 176.302 0.000 . 1 . . . . 28 Glu C . 18748 1 63 . 1 1 28 28 GLU CA C 13 54.013 0.000 . 1 . . . . 28 Glu CA . 18748 1 64 . 1 1 28 28 GLU CB C 13 32.428 0.000 . 1 . . . . 28 Glu CB . 18748 1 65 . 1 1 28 28 GLU N N 15 117.638 0.016 . 1 . . . . 28 Glu N . 18748 1 66 . 1 1 29 29 ASP H H 1 8.716 0.003 . 1 . . . . 29 Asp H . 18748 1 67 . 1 1 29 29 ASP C C 13 177.205 0.000 . 1 . . . . 29 Asp C . 18748 1 68 . 1 1 29 29 ASP CA C 13 56.258 0.013 . 1 . . . . 29 Asp CA . 18748 1 69 . 1 1 29 29 ASP CB C 13 40.847 0.004 . 1 . . . . 29 Asp CB . 18748 1 70 . 1 1 29 29 ASP N N 15 121.984 0.020 . 1 . . . . 29 Asp N . 18748 1 71 . 1 1 30 30 GLY H H 1 8.758 0.003 . 1 . . . . 30 Gly H . 18748 1 72 . 1 1 30 30 GLY C C 13 175.216 0.000 . 1 . . . . 30 Gly C . 18748 1 73 . 1 1 30 30 GLY CA C 13 45.163 0.000 . 1 . . . . 30 Gly CA . 18748 1 74 . 1 1 30 30 GLY N N 15 110.681 0.019 . 1 . . . . 30 Gly N . 18748 1 75 . 1 1 31 31 GLU H H 1 7.573 0.001 . 1 . . . . 31 Glu H . 18748 1 76 . 1 1 31 31 GLU C C 13 175.457 0.000 . 1 . . . . 31 Glu C . 18748 1 77 . 1 1 31 31 GLU CA C 13 56.053 0.002 . 1 . . . . 31 Glu CA . 18748 1 78 . 1 1 31 31 GLU CB C 13 31.786 0.000 . 1 . . . . 31 Glu CB . 18748 1 79 . 1 1 31 31 GLU N N 15 120.475 0.019 . 1 . . . . 31 Glu N . 18748 1 80 . 1 1 32 32 LEU H H 1 9.205 0.002 . 1 . . . . 32 Leu H . 18748 1 81 . 1 1 32 32 LEU C C 13 173.146 0.000 . 1 . . . . 32 Leu C . 18748 1 82 . 1 1 32 32 LEU CA C 13 53.762 0.011 . 1 . . . . 32 Leu CA . 18748 1 83 . 1 1 32 32 LEU CB C 13 45.615 0.022 . 1 . . . . 32 Leu CB . 18748 1 84 . 1 1 32 32 LEU N N 15 127.048 0.023 . 1 . . . . 32 Leu N . 18748 1 85 . 1 1 33 33 GLY H H 1 8.099 0.001 . 1 . . . . 33 Gly H . 18748 1 86 . 1 1 33 33 GLY C C 13 173.537 0.000 . 1 . . . . 33 Gly C . 18748 1 87 . 1 1 33 33 GLY CA C 13 44.765 0.009 . 1 . . . . 33 Gly CA . 18748 1 88 . 1 1 33 33 GLY N N 15 108.383 0.019 . 1 . . . . 33 Gly N . 18748 1 89 . 1 1 34 34 PHE H H 1 7.978 0.002 . 1 . . . . 34 Phe H . 18748 1 90 . 1 1 34 34 PHE C C 13 174.678 0.000 . 1 . . . . 34 Phe C . 18748 1 91 . 1 1 34 34 PHE CA C 13 56.718 0.017 . 1 . . . . 34 Phe CA . 18748 1 92 . 1 1 34 34 PHE CB C 13 39.987 0.002 . 1 . . . . 34 Phe CB . 18748 1 93 . 1 1 34 34 PHE N N 15 113.494 0.032 . 1 . . . . 34 Phe N . 18748 1 94 . 1 1 35 35 ARG H H 1 9.642 0.005 . 1 . . . . 35 Arg H . 18748 1 95 . 1 1 35 35 ARG C C 13 175.728 0.000 . 1 . . . . 35 Arg C . 18748 1 96 . 1 1 35 35 ARG CA C 13 53.125 0.005 . 1 . . . . 35 Arg CA . 18748 1 97 . 1 1 35 35 ARG CB C 13 33.137 0.004 . 1 . . . . 35 Arg CB . 18748 1 98 . 1 1 35 35 ARG N N 15 120.760 0.015 . 1 . . . . 35 Arg N . 18748 1 99 . 1 1 36 36 ARG H H 1 9.211 0.001 . 1 . . . . 36 Arg H . 18748 1 100 . 1 1 36 36 ARG C C 13 176.528 0.000 . 1 . . . . 36 Arg C . 18748 1 101 . 1 1 36 36 ARG CA C 13 58.548 0.003 . 1 . . . . 36 Arg CA . 18748 1 102 . 1 1 36 36 ARG CB C 13 30.062 0.024 . 1 . . . . 36 Arg CB . 18748 1 103 . 1 1 36 36 ARG N N 15 120.801 0.030 . 1 . . . . 36 Arg N . 18748 1 104 . 1 1 37 37 GLY H H 1 8.652 0.003 . 1 . . . . 37 Gly H . 18748 1 105 . 1 1 37 37 GLY C C 13 174.460 0.000 . 1 . . . . 37 Gly C . 18748 1 106 . 1 1 37 37 GLY CA C 13 44.514 0.007 . 1 . . . . 37 Gly CA . 18748 1 107 . 1 1 37 37 GLY N N 15 115.096 0.017 . 1 . . . . 37 Gly N . 18748 1 108 . 1 1 38 38 ASP H H 1 8.371 0.002 . 1 . . . . 38 Asp H . 18748 1 109 . 1 1 38 38 ASP C C 13 175.240 0.000 . 1 . . . . 38 Asp C . 18748 1 110 . 1 1 38 38 ASP CA C 13 55.598 0.000 . 1 . . . . 38 Asp CA . 18748 1 111 . 1 1 38 38 ASP CB C 13 41.704 0.001 . 1 . . . . 38 Asp CB . 18748 1 112 . 1 1 38 38 ASP N N 15 122.490 0.021 . 1 . . . . 38 Asp N . 18748 1 113 . 1 1 39 39 PHE H H 1 8.496 0.001 . 1 . . . . 39 Phe H . 18748 1 114 . 1 1 39 39 PHE C C 13 175.624 0.000 . 1 . . . . 39 Phe C . 18748 1 115 . 1 1 39 39 PHE CA C 13 57.322 0.003 . 1 . . . . 39 Phe CA . 18748 1 116 . 1 1 39 39 PHE CB C 13 40.405 0.010 . 1 . . . . 39 Phe CB . 18748 1 117 . 1 1 39 39 PHE N N 15 118.023 0.019 . 1 . . . . 39 Phe N . 18748 1 118 . 1 1 40 40 ILE H H 1 9.075 0.001 . 1 . . . . 40 Ile H . 18748 1 119 . 1 1 40 40 ILE C C 13 174.909 0.000 . 1 . . . . 40 Ile C . 18748 1 120 . 1 1 40 40 ILE CA C 13 60.702 0.045 . 1 . . . . 40 Ile CA . 18748 1 121 . 1 1 40 40 ILE CB C 13 41.417 0.049 . 1 . . . . 40 Ile CB . 18748 1 122 . 1 1 40 40 ILE N N 15 124.407 0.031 . 1 . . . . 40 Ile N . 18748 1 123 . 1 1 41 41 HIS H H 1 8.549 0.001 . 1 . . . . 41 His H . 18748 1 124 . 1 1 41 41 HIS C C 13 175.103 0.000 . 1 . . . . 41 His C . 18748 1 125 . 1 1 41 41 HIS CA C 13 54.258 0.003 . 1 . . . . 41 His CA . 18748 1 126 . 1 1 41 41 HIS CB C 13 32.278 0.011 . 1 . . . . 41 His CB . 18748 1 127 . 1 1 41 41 HIS N N 15 127.856 0.017 . 1 . . . . 41 His N . 18748 1 128 . 1 1 42 42 VAL H H 1 8.795 0.001 . 1 . . . . 42 Val H . 18748 1 129 . 1 1 42 42 VAL C C 13 174.418 0.000 . 1 . . . . 42 Val C . 18748 1 130 . 1 1 42 42 VAL CA C 13 64.745 0.001 . 1 . . . . 42 Val CA . 18748 1 131 . 1 1 42 42 VAL CB C 13 31.856 0.005 . 1 . . . . 42 Val CB . 18748 1 132 . 1 1 42 42 VAL N N 15 128.758 0.029 . 1 . . . . 42 Val N . 18748 1 133 . 1 1 43 43 MET H H 1 9.134 0.002 . 1 . . . . 43 Met H . 18748 1 134 . 1 1 43 43 MET C C 13 175.755 0.000 . 1 . . . . 43 Met C . 18748 1 135 . 1 1 43 43 MET CA C 13 56.247 0.001 . 1 . . . . 43 Met CA . 18748 1 136 . 1 1 43 43 MET CB C 13 35.434 0.001 . 1 . . . . 43 Met CB . 18748 1 137 . 1 1 43 43 MET N N 15 126.554 0.016 . 1 . . . . 43 Met N . 18748 1 138 . 1 1 44 44 ASP H H 1 7.549 0.002 . 1 . . . . 44 Asp H . 18748 1 139 . 1 1 44 44 ASP C C 13 174.710 0.000 . 1 . . . . 44 Asp C . 18748 1 140 . 1 1 44 44 ASP CA C 13 54.815 0.010 . 1 . . . . 44 Asp CA . 18748 1 141 . 1 1 44 44 ASP CB C 13 43.368 0.028 . 1 . . . . 44 Asp CB . 18748 1 142 . 1 1 44 44 ASP N N 15 116.644 0.023 . 1 . . . . 44 Asp N . 18748 1 143 . 1 1 45 45 ASN H H 1 8.128 0.003 . 1 . . . . 45 Asn H . 18748 1 144 . 1 1 45 45 ASN C C 13 174.834 0.000 . 1 . . . . 45 Asn C . 18748 1 145 . 1 1 45 45 ASN CA C 13 50.832 0.032 . 1 . . . . 45 Asn CA . 18748 1 146 . 1 1 45 45 ASN CB C 13 36.052 0.011 . 1 . . . . 45 Asn CB . 18748 1 147 . 1 1 45 45 ASN N N 15 126.266 0.018 . 1 . . . . 45 Asn N . 18748 1 148 . 1 1 46 46 SER H H 1 8.214 0.002 . 1 . . . . 46 Ser H . 18748 1 149 . 1 1 46 46 SER C C 13 175.163 0.000 . 1 . . . . 46 Ser C . 18748 1 150 . 1 1 46 46 SER CA C 13 61.523 0.017 . 1 . . . . 46 Ser CA . 18748 1 151 . 1 1 46 46 SER CB C 13 63.421 0.019 . 1 . . . . 46 Ser CB . 18748 1 152 . 1 1 46 46 SER N N 15 115.724 0.018 . 1 . . . . 46 Ser N . 18748 1 153 . 1 1 47 47 ASP H H 1 8.603 0.002 . 1 . . . . 47 Asp H . 18748 1 154 . 1 1 47 47 ASP CA C 13 51.943 0.000 . 1 . . . . 47 Asp CA . 18748 1 155 . 1 1 47 47 ASP CB C 13 44.075 0.000 . 1 . . . . 47 Asp CB . 18748 1 156 . 1 1 47 47 ASP N N 15 127.039 0.024 . 1 . . . . 47 Asp N . 18748 1 157 . 1 1 48 48 PRO C C 13 176.725 0.000 . 1 . . . . 48 Pro C . 18748 1 158 . 1 1 48 48 PRO CA C 13 64.267 0.012 . 1 . . . . 48 Pro CA . 18748 1 159 . 1 1 48 48 PRO CB C 13 32.463 0.000 . 1 . . . . 48 Pro CB . 18748 1 160 . 1 1 49 49 ASN H H 1 8.691 0.002 . 1 . . . . 49 Asn H . 18748 1 161 . 1 1 49 49 ASN C C 13 175.020 0.000 . 1 . . . . 49 Asn C . 18748 1 162 . 1 1 49 49 ASN CA C 13 54.501 0.021 . 1 . . . . 49 Asn CA . 18748 1 163 . 1 1 49 49 ASN CB C 13 42.191 0.002 . 1 . . . . 49 Asn CB . 18748 1 164 . 1 1 49 49 ASN N N 15 113.320 0.024 . 1 . . . . 49 Asn N . 18748 1 165 . 1 1 50 50 TRP H H 1 8.947 0.002 . 1 . . . . 50 Trp H . 18748 1 166 . 1 1 50 50 TRP C C 13 174.164 0.000 . 1 . . . . 50 Trp C . 18748 1 167 . 1 1 50 50 TRP CA C 13 56.596 0.020 . 1 . . . . 50 Trp CA . 18748 1 168 . 1 1 50 50 TRP CB C 13 30.948 0.014 . 1 . . . . 50 Trp CB . 18748 1 169 . 1 1 50 50 TRP N N 15 124.481 0.018 . 1 . . . . 50 Trp N . 18748 1 170 . 1 1 51 51 TRP H H 1 8.578 0.003 . 1 . . . . 51 Trp H . 18748 1 171 . 1 1 51 51 TRP C C 13 173.124 0.000 . 1 . . . . 51 Trp C . 18748 1 172 . 1 1 51 51 TRP CA C 13 53.273 0.006 . 1 . . . . 51 Trp CA . 18748 1 173 . 1 1 51 51 TRP CB C 13 33.274 0.014 . 1 . . . . 51 Trp CB . 18748 1 174 . 1 1 51 51 TRP N N 15 125.872 0.018 . 1 . . . . 51 Trp N . 18748 1 175 . 1 1 52 52 LYS H H 1 8.523 0.002 . 1 . . . . 52 Lys H . 18748 1 176 . 1 1 52 52 LYS C C 13 177.720 0.000 . 1 . . . . 52 Lys C . 18748 1 177 . 1 1 52 52 LYS CA C 13 54.779 0.025 . 1 . . . . 52 Lys CA . 18748 1 178 . 1 1 52 52 LYS CB C 13 36.368 0.003 . 1 . . . . 52 Lys CB . 18748 1 179 . 1 1 52 52 LYS N N 15 119.178 0.015 . 1 . . . . 52 Lys N . 18748 1 180 . 1 1 53 53 GLY H H 1 9.703 0.003 . 1 . . . . 53 Gly H . 18748 1 181 . 1 1 53 53 GLY C C 13 169.408 0.000 . 1 . . . . 53 Gly C . 18748 1 182 . 1 1 53 53 GLY CA C 13 46.659 0.021 . 1 . . . . 53 Gly CA . 18748 1 183 . 1 1 53 53 GLY N N 15 115.037 0.015 . 1 . . . . 53 Gly N . 18748 1 184 . 1 1 54 54 ALA H H 1 8.882 0.002 . 1 . . . . 54 Ala H . 18748 1 185 . 1 1 54 54 ALA C C 13 177.280 0.000 . 1 . . . . 54 Ala C . 18748 1 186 . 1 1 54 54 ALA CA C 13 50.758 0.011 . 1 . . . . 54 Ala CA . 18748 1 187 . 1 1 54 54 ALA CB C 13 23.494 0.016 . 1 . . . . 54 Ala CB . 18748 1 188 . 1 1 54 54 ALA N N 15 120.706 0.047 . 1 . . . . 54 Ala N . 18748 1 189 . 1 1 55 55 CYS H H 1 8.753 0.002 . 1 . . . . 55 Cys H . 18748 1 190 . 1 1 55 55 CYS CA C 13 59.780 0.000 . 1 . . . . 55 Cys CA . 18748 1 191 . 1 1 55 55 CYS CB C 13 29.396 0.000 . 1 . . . . 55 Cys CB . 18748 1 192 . 1 1 55 55 CYS N N 15 120.776 0.034 . 1 . . . . 55 Cys N . 18748 1 193 . 1 1 57 57 GLY C C 13 173.924 0.000 . 1 . . . . 57 Gly C . 18748 1 194 . 1 1 57 57 GLY CA C 13 45.811 0.011 . 1 . . . . 57 Gly CA . 18748 1 195 . 1 1 58 58 GLN H H 1 7.982 0.003 . 1 . . . . 58 Gln H . 18748 1 196 . 1 1 58 58 GLN C C 13 174.751 0.000 . 1 . . . . 58 Gln C . 18748 1 197 . 1 1 58 58 GLN CA C 13 53.921 0.000 . 1 . . . . 58 Gln CA . 18748 1 198 . 1 1 58 58 GLN CB C 13 32.035 0.003 . 1 . . . . 58 Gln CB . 18748 1 199 . 1 1 58 58 GLN N N 15 120.107 0.032 . 1 . . . . 58 Gln N . 18748 1 200 . 1 1 59 59 THR H H 1 8.490 0.003 . 1 . . . . 59 Thr H . 18748 1 201 . 1 1 59 59 THR C C 13 174.674 0.000 . 1 . . . . 59 Thr C . 18748 1 202 . 1 1 59 59 THR CA C 13 60.474 0.042 . 1 . . . . 59 Thr CA . 18748 1 203 . 1 1 59 59 THR CB C 13 72.182 0.005 . 1 . . . . 59 Thr CB . 18748 1 204 . 1 1 59 59 THR N N 15 112.904 0.031 . 1 . . . . 59 Thr N . 18748 1 205 . 1 1 60 60 GLY H H 1 9.046 0.003 . 1 . . . . 60 Gly H . 18748 1 206 . 1 1 60 60 GLY C C 13 171.301 0.000 . 1 . . . . 60 Gly C . 18748 1 207 . 1 1 60 60 GLY CA C 13 45.889 0.005 . 1 . . . . 60 Gly CA . 18748 1 208 . 1 1 60 60 GLY N N 15 108.987 0.017 . 1 . . . . 60 Gly N . 18748 1 209 . 1 1 61 61 MET H H 1 8.903 0.003 . 1 . . . . 61 Met H . 18748 1 210 . 1 1 61 61 MET C C 13 177.295 0.000 . 1 . . . . 61 Met C . 18748 1 211 . 1 1 61 61 MET CA C 13 53.228 0.000 . 1 . . . . 61 Met CA . 18748 1 212 . 1 1 61 61 MET CB C 13 33.198 0.000 . 1 . . . . 61 Met CB . 18748 1 213 . 1 1 61 61 MET N N 15 117.620 0.025 . 1 . . . . 61 Met N . 18748 1 214 . 1 1 62 62 PHE H H 1 9.455 0.002 . 1 . . . . 62 Phe H . 18748 1 215 . 1 1 62 62 PHE CA C 13 55.331 0.000 . 1 . . . . 62 Phe CA . 18748 1 216 . 1 1 62 62 PHE CB C 13 40.349 0.000 . 1 . . . . 62 Phe CB . 18748 1 217 . 1 1 62 62 PHE N N 15 117.967 0.027 . 1 . . . . 62 Phe N . 18748 1 218 . 1 1 63 63 PRO C C 13 178.061 0.000 . 1 . . . . 63 Pro C . 18748 1 219 . 1 1 63 63 PRO CA C 13 61.014 0.018 . 1 . . . . 63 Pro CA . 18748 1 220 . 1 1 63 63 PRO CB C 13 30.509 0.000 . 1 . . . . 63 Pro CB . 18748 1 221 . 1 1 64 64 ARG H H 1 7.582 0.001 . 1 . . . . 64 Arg H . 18748 1 222 . 1 1 64 64 ARG C C 13 176.985 0.000 . 1 . . . . 64 Arg C . 18748 1 223 . 1 1 64 64 ARG CA C 13 57.687 0.007 . 1 . . . . 64 Arg CA . 18748 1 224 . 1 1 64 64 ARG CB C 13 27.835 0.014 . 1 . . . . 64 Arg CB . 18748 1 225 . 1 1 64 64 ARG N N 15 125.736 0.017 . 1 . . . . 64 Arg N . 18748 1 226 . 1 1 65 65 ASN H H 1 8.390 0.002 . 1 . . . . 65 Asn H . 18748 1 227 . 1 1 65 65 ASN C C 13 175.331 0.000 . 1 . . . . 65 Asn C . 18748 1 228 . 1 1 65 65 ASN CA C 13 54.062 0.000 . 1 . . . . 65 Asn CA . 18748 1 229 . 1 1 65 65 ASN CB C 13 36.549 0.009 . 1 . . . . 65 Asn CB . 18748 1 230 . 1 1 65 65 ASN N N 15 114.110 0.023 . 1 . . . . 65 Asn N . 18748 1 231 . 1 1 66 66 TYR H H 1 7.848 0.003 . 1 . . . . 66 Tyr H . 18748 1 232 . 1 1 66 66 TYR C C 13 175.416 0.000 . 1 . . . . 66 Tyr C . 18748 1 233 . 1 1 66 66 TYR CA C 13 58.485 0.006 . 1 . . . . 66 Tyr CA . 18748 1 234 . 1 1 66 66 TYR CB C 13 38.644 0.009 . 1 . . . . 66 Tyr CB . 18748 1 235 . 1 1 66 66 TYR N N 15 119.070 0.022 . 1 . . . . 66 Tyr N . 18748 1 236 . 1 1 67 67 VAL H H 1 7.502 0.002 . 1 . . . . 67 Val H . 18748 1 237 . 1 1 67 67 VAL C C 13 173.483 0.000 . 1 . . . . 67 Val C . 18748 1 238 . 1 1 67 67 VAL CA C 13 58.764 0.023 . 1 . . . . 67 Val CA . 18748 1 239 . 1 1 67 67 VAL CB C 13 35.947 0.016 . 1 . . . . 67 Val CB . 18748 1 240 . 1 1 67 67 VAL N N 15 109.796 0.017 . 1 . . . . 67 Val N . 18748 1 241 . 1 1 68 68 THR H H 1 8.584 0.003 . 1 . . . . 68 Thr H . 18748 1 242 . 1 1 68 68 THR CA C 13 57.803 0.000 . 1 . . . . 68 Thr CA . 18748 1 243 . 1 1 68 68 THR CB C 13 72.498 0.000 . 1 . . . . 68 Thr CB . 18748 1 244 . 1 1 68 68 THR N N 15 114.101 0.037 . 1 . . . . 68 Thr N . 18748 1 245 . 1 1 69 69 PRO C C 13 176.268 0.000 . 1 . . . . 69 Pro C . 18748 1 246 . 1 1 69 69 PRO CA C 13 63.963 0.000 . 1 . . . . 69 Pro CA . 18748 1 247 . 1 1 69 69 PRO CB C 13 32.676 0.010 . 1 . . . . 69 Pro CB . 18748 1 248 . 1 1 70 70 VAL H H 1 8.017 0.002 . 1 . . . . 70 Val H . 18748 1 249 . 1 1 70 70 VAL CA C 13 61.475 0.000 . 1 . . . . 70 Val CA . 18748 1 250 . 1 1 70 70 VAL CB C 13 33.917 0.000 . 1 . . . . 70 Val CB . 18748 1 251 . 1 1 70 70 VAL N N 15 119.143 0.033 . 1 . . . . 70 Val N . 18748 1 252 . 1 1 73 73 ASN C C 13 173.975 0.000 . 1 . . . . 73 Asn C . 18748 1 253 . 1 1 73 73 ASN CA C 13 53.366 0.000 . 1 . . . . 73 Asn CA . 18748 1 254 . 1 1 73 73 ASN CB C 13 38.726 0.003 . 1 . . . . 73 Asn CB . 18748 1 255 . 1 1 74 74 VAL H H 1 7.539 0.002 . 1 . . . . 74 Val H . 18748 1 256 . 1 1 74 74 VAL CA C 13 63.524 0.000 . 1 . . . . 74 Val CA . 18748 1 257 . 1 1 74 74 VAL CB C 13 33.432 0.000 . 1 . . . . 74 Val CB . 18748 1 258 . 1 1 74 74 VAL N N 15 123.568 0.019 . 1 . . . . 74 Val N . 18748 1 stop_ save_