################################### # 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 51861 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name LpMIP100-213_shifts _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 6 '1H-15N heteronoe' . . . 51861 1 7 '3D HNCA' . . . 51861 1 8 '3D HN(CO)CA' . . . 51861 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 . . 51861 1 2 $software_2 . . 51861 1 3 $software_3 . . 51861 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 1 1 GLY CA C 13 44.755 0.000 . 1 . . . . . 100 GLY CA . 51861 1 2 . 1 . 1 2 2 VAL H H 1 8.009 0.001 . 1 . . . . . 101 VAL H . 51861 1 3 . 1 . 1 2 2 VAL CA C 13 62.086 0.012 . 1 . . . . . 101 VAL CA . 51861 1 4 . 1 . 1 2 2 VAL N N 15 119.676 0.021 . 1 . . . . . 101 VAL N . 51861 1 5 . 1 . 1 3 3 VAL H H 1 8.946 0.003 . 1 . . . . . 102 VAL H . 51861 1 6 . 1 . 1 3 3 VAL CA C 13 61.927 0.000 . 1 . . . . . 102 VAL CA . 51861 1 7 . 1 . 1 3 3 VAL N N 15 130.750 0.026 . 1 . . . . . 102 VAL N . 51861 1 8 . 1 . 1 4 4 VAL H H 1 8.230 0.005 . 1 . . . . . 103 VAL H . 51861 1 9 . 1 . 1 4 4 VAL CA C 13 61.382 0.021 . 1 . . . . . 103 VAL CA . 51861 1 10 . 1 . 1 4 4 VAL N N 15 125.203 0.021 . 1 . . . . . 103 VAL N . 51861 1 11 . 1 . 1 5 5 LEU H H 1 8.880 0.004 . 1 . . . . . 104 LEU H . 51861 1 12 . 1 . 1 5 5 LEU CA C 13 53.108 0.000 . 1 . . . . . 104 LEU CA . 51861 1 13 . 1 . 1 5 5 LEU N N 15 129.077 0.020 . 1 . . . . . 104 LEU N . 51861 1 14 . 1 . 1 6 6 PRO CA C 13 65.372 0.000 . 1 . . . . . 105 PRO CA . 51861 1 15 . 1 . 1 7 7 SER H H 1 8.259 0.003 . 1 . . . . . 106 SER H . 51861 1 16 . 1 . 1 7 7 SER CA C 13 58.964 0.018 . 1 . . . . . 106 SER CA . 51861 1 17 . 1 . 1 7 7 SER N N 15 111.408 0.022 . 1 . . . . . 106 SER N . 51861 1 18 . 1 . 1 8 8 GLY H H 1 8.317 0.003 . 1 . . . . . 107 GLY H . 51861 1 19 . 1 . 1 8 8 GLY CA C 13 44.301 0.010 . 1 . . . . . 107 GLY CA . 51861 1 20 . 1 . 1 8 8 GLY N N 15 109.997 0.027 . 1 . . . . . 107 GLY N . 51861 1 21 . 1 . 1 9 9 LEU H H 1 7.809 0.003 . 1 . . . . . 108 LEU H . 51861 1 22 . 1 . 1 9 9 LEU CA C 13 56.537 0.035 . 1 . . . . . 108 LEU CA . 51861 1 23 . 1 . 1 9 9 LEU N N 15 123.588 0.029 . 1 . . . . . 108 LEU N . 51861 1 24 . 1 . 1 10 10 GLN H H 1 8.020 0.004 . 1 . . . . . 109 GLN H . 51861 1 25 . 1 . 1 10 10 GLN CA C 13 53.220 0.013 . 1 . . . . . 109 GLN CA . 51861 1 26 . 1 . 1 10 10 GLN N N 15 121.335 0.013 . 1 . . . . . 109 GLN N . 51861 1 27 . 1 . 1 11 11 TYR H H 1 9.103 0.004 . 1 . . . . . 110 TYR H . 51861 1 28 . 1 . 1 11 11 TYR CA C 13 56.450 0.007 . 1 . . . . . 110 TYR CA . 51861 1 29 . 1 . 1 11 11 TYR N N 15 117.495 0.018 . 1 . . . . . 110 TYR N . 51861 1 30 . 1 . 1 12 12 LYS H H 1 9.437 0.003 . 1 . . . . . 111 LYS H . 51861 1 31 . 1 . 1 12 12 LYS CA C 13 54.626 0.001 . 1 . . . . . 111 LYS CA . 51861 1 32 . 1 . 1 12 12 LYS N N 15 119.761 0.016 . 1 . . . . . 111 LYS N . 51861 1 33 . 1 . 1 13 13 VAL H H 1 8.828 0.003 . 1 . . . . . 112 VAL H . 51861 1 34 . 1 . 1 13 13 VAL CA C 13 64.140 0.013 . 1 . . . . . 112 VAL CA . 51861 1 35 . 1 . 1 13 13 VAL N N 15 126.920 0.017 . 1 . . . . . 112 VAL N . 51861 1 36 . 1 . 1 14 14 ILE H H 1 8.489 0.003 . 1 . . . . . 113 ILE H . 51861 1 37 . 1 . 1 14 14 ILE CA C 13 62.555 0.074 . 1 . . . . . 113 ILE CA . 51861 1 38 . 1 . 1 14 14 ILE N N 15 129.884 0.012 . 1 . . . . . 113 ILE N . 51861 1 39 . 1 . 1 15 15 ASN H H 1 8.679 0.004 . 1 . . . . . 114 ASN H . 51861 1 40 . 1 . 1 15 15 ASN CA C 13 53.294 0.000 . 1 . . . . . 114 ASN CA . 51861 1 41 . 1 . 1 15 15 ASN N N 15 115.590 0.007 . 1 . . . . . 114 ASN N . 51861 1 42 . 1 . 1 16 16 SER CA C 13 58.284 0.000 . 1 . . . . . 115 SER CA . 51861 1 43 . 1 . 1 17 17 GLY H H 1 8.241 0.005 . 1 . . . . . 116 GLY H . 51861 1 44 . 1 . 1 17 17 GLY CA C 13 43.599 0.000 . 1 . . . . . 116 GLY CA . 51861 1 45 . 1 . 1 17 17 GLY N N 15 112.872 0.014 . 1 . . . . . 116 GLY N . 51861 1 46 . 1 . 1 18 18 ASN CA C 13 52.429 0.000 . 1 . . . . . 117 ASN CA . 51861 1 47 . 1 . 1 19 19 GLY H H 1 8.217 0.001 . 1 . . . . . 118 GLY H . 51861 1 48 . 1 . 1 19 19 GLY CA C 13 44.542 0.007 . 1 . . . . . 118 GLY CA . 51861 1 49 . 1 . 1 19 19 GLY N N 15 108.460 0.043 . 1 . . . . . 118 GLY N . 51861 1 50 . 1 . 1 20 20 VAL H H 1 8.028 0.002 . 1 . . . . . 119 VAL H . 51861 1 51 . 1 . 1 20 20 VAL CA C 13 61.741 0.014 . 1 . . . . . 119 VAL CA . 51861 1 52 . 1 . 1 20 20 VAL N N 15 115.297 0.021 . 1 . . . . . 119 VAL N . 51861 1 53 . 1 . 1 21 21 LYS H H 1 8.064 0.002 . 1 . . . . . 120 LYS H . 51861 1 54 . 1 . 1 21 21 LYS CA C 13 53.090 0.000 . 1 . . . . . 120 LYS CA . 51861 1 55 . 1 . 1 21 21 LYS N N 15 122.265 0.015 . 1 . . . . . 120 LYS N . 51861 1 56 . 1 . 1 22 22 PRO CA C 13 62.383 0.000 . 1 . . . . . 121 PRO CA . 51861 1 57 . 1 . 1 23 23 GLY H H 1 9.451 0.004 . 1 . . . . . 122 GLY H . 51861 1 58 . 1 . 1 23 23 GLY CA C 13 43.275 0.007 . 1 . . . . . 122 GLY CA . 51861 1 59 . 1 . 1 23 23 GLY N N 15 109.828 0.014 . 1 . . . . . 122 GLY N . 51861 1 60 . 1 . 1 24 24 LYS H H 1 8.198 0.002 . 1 . . . . . 123 LYS H . 51861 1 61 . 1 . 1 24 24 LYS CA C 13 59.627 0.008 . 1 . . . . . 123 LYS CA . 51861 1 62 . 1 . 1 24 24 LYS N N 15 116.911 0.014 . 1 . . . . . 123 LYS N . 51861 1 63 . 1 . 1 25 25 SER H H 1 8.280 0.008 . 1 . . . . . 124 SER H . 51861 1 64 . 1 . 1 25 25 SER CA C 13 57.544 0.064 . 1 . . . . . 124 SER CA . 51861 1 65 . 1 . 1 25 25 SER N N 15 109.866 0.011 . 1 . . . . . 124 SER N . 51861 1 66 . 1 . 1 26 26 ASP H H 1 7.326 0.004 . 1 . . . . . 125 ASP H . 51861 1 67 . 1 . 1 26 26 ASP CA C 13 55.179 0.056 . 1 . . . . . 125 ASP CA . 51861 1 68 . 1 . 1 26 26 ASP N N 15 122.329 0.022 . 1 . . . . . 125 ASP N . 51861 1 69 . 1 . 1 27 27 THR H H 1 8.481 0.003 . 1 . . . . . 126 THR H . 51861 1 70 . 1 . 1 27 27 THR CA C 13 62.477 0.026 . 1 . . . . . 126 THR CA . 51861 1 71 . 1 . 1 27 27 THR N N 15 116.251 0.010 . 1 . . . . . 126 THR N . 51861 1 72 . 1 . 1 28 28 VAL H H 1 9.211 0.005 . 1 . . . . . 127 VAL H . 51861 1 73 . 1 . 1 28 28 VAL CA C 13 58.222 0.010 . 1 . . . . . 127 VAL CA . 51861 1 74 . 1 . 1 28 28 VAL N N 15 118.422 0.015 . 1 . . . . . 127 VAL N . 51861 1 75 . 1 . 1 29 29 THR H H 1 8.089 0.003 . 1 . . . . . 128 THR H . 51861 1 76 . 1 . 1 29 29 THR CA C 13 61.616 0.024 . 1 . . . . . 128 THR CA . 51861 1 77 . 1 . 1 29 29 THR N N 15 117.297 0.014 . 1 . . . . . 128 THR N . 51861 1 78 . 1 . 1 30 30 VAL H H 1 9.537 0.003 . 1 . . . . . 129 VAL H . 51861 1 79 . 1 . 1 30 30 VAL CA C 13 58.496 0.009 . 1 . . . . . 129 VAL CA . 51861 1 80 . 1 . 1 30 30 VAL N N 15 119.036 0.026 . 1 . . . . . 129 VAL N . 51861 1 81 . 1 . 1 31 31 GLU H H 1 8.656 0.004 . 1 . . . . . 130 GLU H . 51861 1 82 . 1 . 1 31 31 GLU CA C 13 54.907 0.032 . 1 . . . . . 130 GLU CA . 51861 1 83 . 1 . 1 31 31 GLU N N 15 119.858 0.008 . 1 . . . . . 130 GLU N . 51861 1 84 . 1 . 1 32 32 TYR H H 1 8.779 0.002 . 1 . . . . . 131 TYR H . 51861 1 85 . 1 . 1 32 32 TYR CA C 13 56.974 0.001 . 1 . . . . . 131 TYR CA . 51861 1 86 . 1 . 1 32 32 TYR N N 15 119.452 0.106 . 1 . . . . . 131 TYR N . 51861 1 87 . 1 . 1 33 33 THR H H 1 8.640 0.004 . 1 . . . . . 132 THR H . 51861 1 88 . 1 . 1 33 33 THR CA C 13 62.498 0.012 . 1 . . . . . 132 THR CA . 51861 1 89 . 1 . 1 33 33 THR N N 15 114.012 0.019 . 1 . . . . . 132 THR N . 51861 1 90 . 1 . 1 34 34 GLY H H 1 9.408 0.002 . 1 . . . . . 133 GLY H . 51861 1 91 . 1 . 1 34 34 GLY CA C 13 45.422 0.019 . 1 . . . . . 133 GLY CA . 51861 1 92 . 1 . 1 34 34 GLY N N 15 115.969 0.020 . 1 . . . . . 133 GLY N . 51861 1 93 . 1 . 1 35 35 ARG H H 1 9.516 0.008 . 1 . . . . . 134 ARG H . 51861 1 94 . 1 . 1 35 35 ARG CA C 13 53.689 0.022 . 1 . . . . . 134 ARG CA . 51861 1 95 . 1 . 1 35 35 ARG N N 15 125.105 0.026 . 1 . . . . . 134 ARG N . 51861 1 96 . 1 . 1 36 36 LEU H H 1 8.488 0.004 . 1 . . . . . 135 LEU H . 51861 1 97 . 1 . 1 36 36 LEU CA C 13 52.964 0.003 . 1 . . . . . 135 LEU CA . 51861 1 98 . 1 . 1 36 36 LEU N N 15 118.436 0.009 . 1 . . . . . 135 LEU N . 51861 1 99 . 1 . 1 37 37 ILE H H 1 9.550 0.002 . 1 . . . . . 136 ILE H . 51861 1 100 . 1 . 1 37 37 ILE CA C 13 63.941 0.025 . 1 . . . . . 136 ILE CA . 51861 1 101 . 1 . 1 37 37 ILE N N 15 121.678 0.011 . 1 . . . . . 136 ILE N . 51861 1 102 . 1 . 1 38 38 ASP H H 1 7.656 0.003 . 1 . . . . . 137 ASP H . 51861 1 103 . 1 . 1 38 38 ASP CA C 13 53.861 0.044 . 1 . . . . . 137 ASP CA . 51861 1 104 . 1 . 1 38 38 ASP N N 15 117.685 0.016 . 1 . . . . . 137 ASP N . 51861 1 105 . 1 . 1 39 39 GLY H H 1 8.208 0.004 . 1 . . . . . 138 GLY H . 51861 1 106 . 1 . 1 39 39 GLY CA C 13 44.884 0.038 . 1 . . . . . 138 GLY CA . 51861 1 107 . 1 . 1 39 39 GLY N N 15 108.642 0.017 . 1 . . . . . 138 GLY N . 51861 1 108 . 1 . 1 40 40 THR H H 1 8.303 0.003 . 1 . . . . . 139 THR H . 51861 1 109 . 1 . 1 40 40 THR CA C 13 64.744 0.033 . 1 . . . . . 139 THR CA . 51861 1 110 . 1 . 1 40 40 THR N N 15 118.879 0.014 . 1 . . . . . 139 THR N . 51861 1 111 . 1 . 1 41 41 VAL H H 1 8.824 0.004 . 1 . . . . . 140 VAL H . 51861 1 112 . 1 . 1 41 41 VAL CA C 13 62.703 0.010 . 1 . . . . . 140 VAL CA . 51861 1 113 . 1 . 1 41 41 VAL N N 15 128.971 0.022 . 1 . . . . . 140 VAL N . 51861 1 114 . 1 . 1 42 42 PHE H H 1 8.304 0.004 . 1 . . . . . 141 PHE H . 51861 1 115 . 1 . 1 42 42 PHE CA C 13 56.273 0.002 . 1 . . . . . 141 PHE CA . 51861 1 116 . 1 . 1 42 42 PHE N N 15 124.457 0.016 . 1 . . . . . 141 PHE N . 51861 1 117 . 1 . 1 43 43 ASP H H 1 7.129 0.007 . 1 . . . . . 142 ASP H . 51861 1 118 . 1 . 1 43 43 ASP CA C 13 54.888 0.028 . 1 . . . . . 142 ASP CA . 51861 1 119 . 1 . 1 43 43 ASP N N 15 120.450 0.018 . 1 . . . . . 142 ASP N . 51861 1 120 . 1 . 1 44 44 SER H H 1 8.272 0.004 . 1 . . . . . 143 SER H . 51861 1 121 . 1 . 1 44 44 SER CA C 13 57.252 0.039 . 1 . . . . . 143 SER CA . 51861 1 122 . 1 . 1 44 44 SER N N 15 116.998 0.017 . 1 . . . . . 143 SER N . 51861 1 123 . 1 . 1 45 45 THR H H 1 8.666 0.005 . 1 . . . . . 144 THR H . 51861 1 124 . 1 . 1 45 45 THR CA C 13 63.782 0.017 . 1 . . . . . 144 THR CA . 51861 1 125 . 1 . 1 45 45 THR N N 15 116.570 0.021 . 1 . . . . . 144 THR N . 51861 1 126 . 1 . 1 46 46 GLU H H 1 8.541 0.003 . 1 . . . . . 145 GLU H . 51861 1 127 . 1 . 1 46 46 GLU CA C 13 58.811 0.000 . 1 . . . . . 145 GLU CA . 51861 1 128 . 1 . 1 46 46 GLU N N 15 123.167 0.028 . 1 . . . . . 145 GLU N . 51861 1 129 . 1 . 1 48 48 THR H H 1 7.634 0.006 . 1 . . . . . 147 THR H . 51861 1 130 . 1 . 1 48 48 THR CA C 13 62.486 0.024 . 1 . . . . . 147 THR CA . 51861 1 131 . 1 . 1 48 48 THR N N 15 108.167 0.032 . 1 . . . . . 147 THR N . 51861 1 132 . 1 . 1 49 49 GLY H H 1 8.093 0.004 . 1 . . . . . 148 GLY H . 51861 1 133 . 1 . 1 49 49 GLY CA C 13 45.867 0.005 . 1 . . . . . 148 GLY CA . 51861 1 134 . 1 . 1 49 49 GLY N N 15 109.981 0.018 . 1 . . . . . 148 GLY N . 51861 1 135 . 1 . 1 50 50 LYS H H 1 7.754 0.003 . 1 . . . . . 149 LYS H . 51861 1 136 . 1 . 1 50 50 LYS CA C 13 53.411 0.000 . 1 . . . . . 149 LYS CA . 51861 1 137 . 1 . 1 50 50 LYS N N 15 119.575 0.015 . 1 . . . . . 149 LYS N . 51861 1 138 . 1 . 1 51 51 PRO CA C 13 62.737 0.000 . 1 . . . . . 150 PRO CA . 51861 1 139 . 1 . 1 52 52 ALA H H 1 8.950 0.003 . 1 . . . . . 151 ALA H . 51861 1 140 . 1 . 1 52 52 ALA CA C 13 51.113 0.020 . 1 . . . . . 151 ALA CA . 51861 1 141 . 1 . 1 52 52 ALA N N 15 125.108 0.016 . 1 . . . . . 151 ALA N . 51861 1 142 . 1 . 1 53 53 THR H H 1 8.237 0.005 . 1 . . . . . 152 THR H . 51861 1 143 . 1 . 1 53 53 THR CA C 13 60.846 0.043 . 1 . . . . . 152 THR CA . 51861 1 144 . 1 . 1 53 53 THR N N 15 116.982 0.016 . 1 . . . . . 152 THR N . 51861 1 145 . 1 . 1 54 54 PHE H H 1 8.671 0.003 . 1 . . . . . 153 PHE H . 51861 1 146 . 1 . 1 54 54 PHE CA C 13 55.834 0.046 . 1 . . . . . 153 PHE CA . 51861 1 147 . 1 . 1 54 54 PHE N N 15 121.519 0.020 . 1 . . . . . 153 PHE N . 51861 1 148 . 1 . 1 55 55 GLN H H 1 9.005 0.004 . 1 . . . . . 154 GLN H . 51861 1 149 . 1 . 1 55 55 GLN CA C 13 55.880 0.030 . 1 . . . . . 154 GLN CA . 51861 1 150 . 1 . 1 55 55 GLN N N 15 121.484 0.007 . 1 . . . . . 154 GLN N . 51861 1 151 . 1 . 1 56 56 VAL H H 1 8.616 0.004 . 1 . . . . . 155 VAL H . 51861 1 152 . 1 . 1 56 56 VAL CA C 13 67.324 0.019 . 1 . . . . . 155 VAL CA . 51861 1 153 . 1 . 1 56 56 VAL N N 15 126.482 0.016 . 1 . . . . . 155 VAL N . 51861 1 154 . 1 . 1 57 57 SER H H 1 8.049 0.003 . 1 . . . . . 156 SER H . 51861 1 155 . 1 . 1 57 57 SER CA C 13 59.500 0.039 . 1 . . . . . 156 SER CA . 51861 1 156 . 1 . 1 57 57 SER N N 15 110.832 0.014 . 1 . . . . . 156 SER N . 51861 1 157 . 1 . 1 58 58 GLN H H 1 7.967 0.004 . 1 . . . . . 157 GLN H . 51861 1 158 . 1 . 1 58 58 GLN CA C 13 55.538 0.030 . 1 . . . . . 157 GLN CA . 51861 1 159 . 1 . 1 58 58 GLN N N 15 119.625 0.023 . 1 . . . . . 157 GLN N . 51861 1 160 . 1 . 1 59 59 VAL H H 1 6.692 0.004 . 1 . . . . . 158 VAL H . 51861 1 161 . 1 . 1 59 59 VAL CA C 13 59.961 0.000 . 1 . . . . . 158 VAL CA . 51861 1 162 . 1 . 1 59 59 VAL N N 15 111.759 0.010 . 1 . . . . . 158 VAL N . 51861 1 163 . 1 . 1 61 61 PRO CA C 13 66.010 0.000 . 1 . . . . . 160 PRO CA . 51861 1 164 . 1 . 1 62 62 GLY H H 1 9.100 0.003 . 1 . . . . . 161 GLY H . 51861 1 165 . 1 . 1 62 62 GLY CA C 13 47.611 0.003 . 1 . . . . . 161 GLY CA . 51861 1 166 . 1 . 1 62 62 GLY N N 15 103.440 0.023 . 1 . . . . . 161 GLY N . 51861 1 167 . 1 . 1 63 63 TRP H H 1 7.770 0.002 . 1 . . . . . 162 TRP H . 51861 1 168 . 1 . 1 63 63 TRP CA C 13 59.612 0.014 . 1 . . . . . 162 TRP CA . 51861 1 169 . 1 . 1 63 63 TRP N N 15 118.201 0.013 . 1 . . . . . 162 TRP N . 51861 1 170 . 1 . 1 64 64 THR H H 1 8.240 0.006 . 1 . . . . . 163 THR H . 51861 1 171 . 1 . 1 64 64 THR CA C 13 67.716 0.016 . 1 . . . . . 163 THR CA . 51861 1 172 . 1 . 1 64 64 THR N N 15 117.178 0.046 . 1 . . . . . 163 THR N . 51861 1 173 . 1 . 1 65 65 GLU H H 1 8.022 0.003 . 1 . . . . . 164 GLU H . 51861 1 174 . 1 . 1 65 65 GLU CA C 13 59.404 0.019 . 1 . . . . . 164 GLU CA . 51861 1 175 . 1 . 1 65 65 GLU N N 15 118.961 0.016 . 1 . . . . . 164 GLU N . 51861 1 176 . 1 . 1 66 66 ALA H H 1 7.533 0.003 . 1 . . . . . 165 ALA H . 51861 1 177 . 1 . 1 66 66 ALA CA C 13 55.320 0.034 . 1 . . . . . 165 ALA CA . 51861 1 178 . 1 . 1 66 66 ALA N N 15 118.455 0.016 . 1 . . . . . 165 ALA N . 51861 1 179 . 1 . 1 67 67 LEU H H 1 8.727 0.004 . 1 . . . . . 166 LEU H . 51861 1 180 . 1 . 1 67 67 LEU CA C 13 58.029 0.013 . 1 . . . . . 166 LEU CA . 51861 1 181 . 1 . 1 67 67 LEU N N 15 113.871 0.015 . 1 . . . . . 166 LEU N . 51861 1 182 . 1 . 1 68 68 GLN H H 1 6.472 0.004 . 1 . . . . . 167 GLN H . 51861 1 183 . 1 . 1 68 68 GLN CA C 13 57.459 0.000 . 1 . . . . . 167 GLN CA . 51861 1 184 . 1 . 1 68 68 GLN N N 15 108.940 0.012 . 1 . . . . . 167 GLN N . 51861 1 185 . 1 . 1 69 69 LEU H H 1 7.404 0.004 . 1 . . . . . 168 LEU H . 51861 1 186 . 1 . 1 69 69 LEU CA C 13 54.331 0.006 . 1 . . . . . 168 LEU CA . 51861 1 187 . 1 . 1 69 69 LEU N N 15 117.213 0.022 . 1 . . . . . 168 LEU N . 51861 1 188 . 1 . 1 70 70 MET H H 1 6.990 0.005 . 1 . . . . . 169 MET H . 51861 1 189 . 1 . 1 70 70 MET CA C 13 54.438 0.000 . 1 . . . . . 169 MET CA . 51861 1 190 . 1 . 1 70 70 MET N N 15 121.145 0.014 . 1 . . . . . 169 MET N . 51861 1 191 . 1 . 1 71 71 PRO CA C 13 61.689 0.000 . 1 . . . . . 170 PRO CA . 51861 1 192 . 1 . 1 72 72 ALA H H 1 8.647 0.003 . 1 . . . . . 171 ALA H . 51861 1 193 . 1 . 1 72 72 ALA CA C 13 54.896 0.020 . 1 . . . . . 171 ALA CA . 51861 1 194 . 1 . 1 72 72 ALA N N 15 129.006 0.030 . 1 . . . . . 171 ALA N . 51861 1 195 . 1 . 1 73 73 GLY H H 1 8.693 0.008 . 1 . . . . . 172 GLY H . 51861 1 196 . 1 . 1 73 73 GLY CA C 13 44.760 0.012 . 1 . . . . . 172 GLY CA . 51861 1 197 . 1 . 1 73 73 GLY N N 15 109.586 0.019 . 1 . . . . . 172 GLY N . 51861 1 198 . 1 . 1 74 74 SER H H 1 7.823 0.003 . 1 . . . . . 173 SER H . 51861 1 199 . 1 . 1 74 74 SER CA C 13 59.265 0.028 . 1 . . . . . 173 SER CA . 51861 1 200 . 1 . 1 74 74 SER N N 15 116.525 0.012 . 1 . . . . . 173 SER N . 51861 1 201 . 1 . 1 75 75 THR H H 1 9.315 0.004 . 1 . . . . . 174 THR H . 51861 1 202 . 1 . 1 75 75 THR CA C 13 62.275 0.030 . 1 . . . . . 174 THR CA . 51861 1 203 . 1 . 1 75 75 THR N N 15 118.208 0.015 . 1 . . . . . 174 THR N . 51861 1 204 . 1 . 1 76 76 TRP H H 1 9.277 0.005 . 1 . . . . . 175 TRP H . 51861 1 205 . 1 . 1 76 76 TRP HE1 H 1 10.570 0.007 . 1 . . . . . 175 TRP HE1 . 51861 1 206 . 1 . 1 76 76 TRP CA C 13 54.375 0.031 . 1 . . . . . 175 TRP CA . 51861 1 207 . 1 . 1 76 76 TRP N N 15 129.172 0.020 . 1 . . . . . 175 TRP N . 51861 1 208 . 1 . 1 76 76 TRP NE1 N 15 127.172 0.048 . 1 . . . . . 175 TRP NE1 . 51861 1 209 . 1 . 1 77 77 GLU H H 1 9.385 0.003 . 1 . . . . . 176 GLU H . 51861 1 210 . 1 . 1 77 77 GLU CA C 13 55.497 0.016 . 1 . . . . . 176 GLU CA . 51861 1 211 . 1 . 1 77 77 GLU N N 15 122.013 0.017 . 1 . . . . . 176 GLU N . 51861 1 212 . 1 . 1 78 78 ILE H H 1 9.541 0.003 . 1 . . . . . 177 ILE H . 51861 1 213 . 1 . 1 78 78 ILE CA C 13 59.521 0.016 . 1 . . . . . 177 ILE CA . 51861 1 214 . 1 . 1 78 78 ILE N N 15 120.920 0.017 . 1 . . . . . 177 ILE N . 51861 1 215 . 1 . 1 79 79 TYR H H 1 9.192 0.004 . 1 . . . . . 178 TYR H . 51861 1 216 . 1 . 1 79 79 TYR CA C 13 56.198 0.044 . 1 . . . . . 178 TYR CA . 51861 1 217 . 1 . 1 79 79 TYR N N 15 125.936 0.013 . 1 . . . . . 178 TYR N . 51861 1 218 . 1 . 1 80 80 VAL H H 1 9.716 0.004 . 1 . . . . . 179 VAL H . 51861 1 219 . 1 . 1 80 80 VAL CA C 13 59.434 0.000 . 1 . . . . . 179 VAL CA . 51861 1 220 . 1 . 1 80 80 VAL N N 15 125.535 0.027 . 1 . . . . . 179 VAL N . 51861 1 221 . 1 . 1 81 81 PRO CA C 13 62.589 0.000 . 1 . . . . . 180 PRO CA . 51861 1 222 . 1 . 1 82 82 SER H H 1 8.718 0.003 . 1 . . . . . 181 SER H . 51861 1 223 . 1 . 1 82 82 SER CA C 13 61.765 0.051 . 1 . . . . . 181 SER CA . 51861 1 224 . 1 . 1 82 82 SER N N 15 117.392 0.011 . 1 . . . . . 181 SER N . 51861 1 225 . 1 . 1 83 83 GLY H H 1 8.782 0.002 . 1 . . . . . 182 GLY H . 51861 1 226 . 1 . 1 83 83 GLY CA C 13 46.418 0.007 . 1 . . . . . 182 GLY CA . 51861 1 227 . 1 . 1 83 83 GLY N N 15 108.552 0.033 . 1 . . . . . 182 GLY N . 51861 1 228 . 1 . 1 84 84 LEU H H 1 7.919 0.003 . 1 . . . . . 183 LEU H . 51861 1 229 . 1 . 1 84 84 LEU CA C 13 54.145 0.001 . 1 . . . . . 183 LEU CA . 51861 1 230 . 1 . 1 84 84 LEU N N 15 118.994 0.020 . 1 . . . . . 183 LEU N . 51861 1 231 . 1 . 1 85 85 ALA H H 1 7.769 0.004 . 1 . . . . . 184 ALA H . 51861 1 232 . 1 . 1 85 85 ALA CA C 13 52.223 0.013 . 1 . . . . . 184 ALA CA . 51861 1 233 . 1 . 1 85 85 ALA N N 15 122.697 0.024 . 1 . . . . . 184 ALA N . 51861 1 234 . 1 . 1 86 86 TYR H H 1 7.882 0.004 . 1 . . . . . 185 TYR H . 51861 1 235 . 1 . 1 86 86 TYR CA C 13 57.960 0.015 . 1 . . . . . 185 TYR CA . 51861 1 236 . 1 . 1 86 86 TYR N N 15 117.350 0.018 . 1 . . . . . 185 TYR N . 51861 1 237 . 1 . 1 87 87 GLY H H 1 8.199 0.004 . 1 . . . . . 186 GLY H . 51861 1 238 . 1 . 1 87 87 GLY CA C 13 44.969 0.000 . 1 . . . . . 186 GLY CA . 51861 1 239 . 1 . 1 87 87 GLY N N 15 109.954 0.022 . 1 . . . . . 186 GLY N . 51861 1 240 . 1 . 1 89 89 ARG CA C 13 58.840 0.000 . 1 . . . . . 188 ARG CA . 51861 1 241 . 1 . 1 90 90 SER H H 1 7.608 0.007 . 1 . . . . . 189 SER H . 51861 1 242 . 1 . 1 90 90 SER CA C 13 58.580 0.085 . 1 . . . . . 189 SER CA . 51861 1 243 . 1 . 1 90 90 SER N N 15 117.658 0.019 . 1 . . . . . 189 SER N . 51861 1 244 . 1 . 1 91 91 VAL H H 1 8.052 0.003 . 1 . . . . . 190 VAL H . 51861 1 245 . 1 . 1 91 91 VAL CA C 13 62.544 0.035 . 1 . . . . . 190 VAL CA . 51861 1 246 . 1 . 1 91 91 VAL N N 15 121.067 0.037 . 1 . . . . . 190 VAL N . 51861 1 247 . 1 . 1 92 92 GLY H H 1 8.418 0.005 . 1 . . . . . 191 GLY H . 51861 1 248 . 1 . 1 92 92 GLY CA C 13 45.080 0.001 . 1 . . . . . 191 GLY CA . 51861 1 249 . 1 . 1 92 92 GLY N N 15 111.846 0.029 . 1 . . . . . 191 GLY N . 51861 1 250 . 1 . 1 93 93 GLY H H 1 8.030 0.004 . 1 . . . . . 192 GLY H . 51861 1 251 . 1 . 1 93 93 GLY CA C 13 44.472 0.000 . 1 . . . . . 192 GLY CA . 51861 1 252 . 1 . 1 93 93 GLY N N 15 108.741 0.014 . 1 . . . . . 192 GLY N . 51861 1 253 . 1 . 1 94 94 PRO CA C 13 63.282 0.000 . 1 . . . . . 193 PRO CA . 51861 1 254 . 1 . 1 95 95 ILE H H 1 7.948 0.004 . 1 . . . . . 194 ILE H . 51861 1 255 . 1 . 1 95 95 ILE CA C 13 60.846 0.024 . 1 . . . . . 194 ILE CA . 51861 1 256 . 1 . 1 95 95 ILE N N 15 119.892 0.039 . 1 . . . . . 194 ILE N . 51861 1 257 . 1 . 1 96 96 GLY H H 1 8.497 0.004 . 1 . . . . . 195 GLY H . 51861 1 258 . 1 . 1 96 96 GLY CA C 13 44.743 0.000 . 1 . . . . . 195 GLY CA . 51861 1 259 . 1 . 1 96 96 GLY N N 15 113.927 0.024 . 1 . . . . . 195 GLY N . 51861 1 260 . 1 . 1 97 97 PRO CA C 13 63.574 0.000 . 1 . . . . . 196 PRO CA . 51861 1 261 . 1 . 1 98 98 ASN H H 1 8.674 0.005 . 1 . . . . . 197 ASN H . 51861 1 262 . 1 . 1 98 98 ASN CA C 13 53.248 0.044 . 1 . . . . . 197 ASN CA . 51861 1 263 . 1 . 1 98 98 ASN N N 15 117.472 0.024 . 1 . . . . . 197 ASN N . 51861 1 264 . 1 . 1 99 99 GLU H H 1 7.819 0.003 . 1 . . . . . 198 GLU H . 51861 1 265 . 1 . 1 99 99 GLU CA C 13 56.286 0.017 . 1 . . . . . 198 GLU CA . 51861 1 266 . 1 . 1 99 99 GLU N N 15 120.383 0.022 . 1 . . . . . 198 GLU N . 51861 1 267 . 1 . 1 100 100 THR H H 1 8.254 0.003 . 1 . . . . . 199 THR H . 51861 1 268 . 1 . 1 100 100 THR CA C 13 63.097 0.010 . 1 . . . . . 199 THR CA . 51861 1 269 . 1 . 1 100 100 THR N N 15 118.835 0.012 . 1 . . . . . 199 THR N . 51861 1 270 . 1 . 1 101 101 LEU H H 1 8.733 0.005 . 1 . . . . . 200 LEU H . 51861 1 271 . 1 . 1 101 101 LEU CA C 13 53.596 0.047 . 1 . . . . . 200 LEU CA . 51861 1 272 . 1 . 1 101 101 LEU N N 15 125.556 0.021 . 1 . . . . . 200 LEU N . 51861 1 273 . 1 . 1 102 102 ILE H H 1 8.642 0.004 . 1 . . . . . 201 ILE H . 51861 1 274 . 1 . 1 102 102 ILE CA C 13 60.569 0.032 . 1 . . . . . 201 ILE CA . 51861 1 275 . 1 . 1 102 102 ILE N N 15 122.178 0.010 . 1 . . . . . 201 ILE N . 51861 1 276 . 1 . 1 103 103 PHE H H 1 9.440 0.004 . 1 . . . . . 202 PHE H . 51861 1 277 . 1 . 1 103 103 PHE CA C 13 55.657 0.026 . 1 . . . . . 202 PHE CA . 51861 1 278 . 1 . 1 103 103 PHE N N 15 122.766 0.022 . 1 . . . . . 202 PHE N . 51861 1 279 . 1 . 1 104 104 LYS H H 1 8.948 0.005 . 1 . . . . . 203 LYS H . 51861 1 280 . 1 . 1 104 104 LYS CA C 13 56.017 0.000 . 1 . . . . . 203 LYS CA . 51861 1 281 . 1 . 1 104 104 LYS N N 15 125.818 0.014 . 1 . . . . . 203 LYS N . 51861 1 282 . 1 . 1 105 105 ILE H H 1 9.269 0.005 . 1 . . . . . 204 ILE H . 51861 1 283 . 1 . 1 105 105 ILE CA C 13 60.471 0.004 . 1 . . . . . 204 ILE CA . 51861 1 284 . 1 . 1 105 105 ILE N N 15 125.945 0.009 . 1 . . . . . 204 ILE N . 51861 1 285 . 1 . 1 106 106 HIS H H 1 9.285 0.003 . 1 . . . . . 205 HIS H . 51861 1 286 . 1 . 1 106 106 HIS CA C 13 52.252 0.010 . 1 . . . . . 205 HIS CA . 51861 1 287 . 1 . 1 106 106 HIS N N 15 127.055 0.020 . 1 . . . . . 205 HIS N . 51861 1 288 . 1 . 1 107 107 LEU H H 1 8.531 0.003 . 1 . . . . . 206 LEU H . 51861 1 289 . 1 . 1 107 107 LEU CA C 13 54.241 0.012 . 1 . . . . . 206 LEU CA . 51861 1 290 . 1 . 1 107 107 LEU N N 15 129.095 0.021 . 1 . . . . . 206 LEU N . 51861 1 291 . 1 . 1 108 108 ILE H H 1 8.594 0.003 . 1 . . . . . 207 ILE H . 51861 1 292 . 1 . 1 108 108 ILE CA C 13 64.018 0.004 . 1 . . . . . 207 ILE CA . 51861 1 293 . 1 . 1 108 108 ILE N N 15 129.851 0.013 . 1 . . . . . 207 ILE N . 51861 1 294 . 1 . 1 109 109 SER H H 1 7.500 0.003 . 1 . . . . . 208 SER H . 51861 1 295 . 1 . 1 109 109 SER CA C 13 57.131 0.024 . 1 . . . . . 208 SER CA . 51861 1 296 . 1 . 1 109 109 SER N N 15 108.659 0.018 . 1 . . . . . 208 SER N . 51861 1 297 . 1 . 1 110 110 VAL H H 1 8.398 0.003 . 1 . . . . . 209 VAL H . 51861 1 298 . 1 . 1 110 110 VAL CA C 13 61.115 0.029 . 1 . . . . . 209 VAL CA . 51861 1 299 . 1 . 1 110 110 VAL N N 15 120.650 0.024 . 1 . . . . . 209 VAL N . 51861 1 300 . 1 . 1 111 111 LYS H H 1 9.141 0.004 . 1 . . . . . 210 LYS H . 51861 1 301 . 1 . 1 111 111 LYS CA C 13 54.978 0.012 . 1 . . . . . 210 LYS CA . 51861 1 302 . 1 . 1 111 111 LYS N N 15 129.222 0.017 . 1 . . . . . 210 LYS N . 51861 1 303 . 1 . 1 112 112 LYS H H 1 8.656 0.004 . 1 . . . . . 211 LYS H . 51861 1 304 . 1 . 1 112 112 LYS CA C 13 55.962 0.015 . 1 . . . . . 211 LYS CA . 51861 1 305 . 1 . 1 112 112 LYS N N 15 126.839 0.028 . 1 . . . . . 211 LYS N . 51861 1 306 . 1 . 1 113 113 SER H H 1 8.758 0.004 . 1 . . . . . 212 SER H . 51861 1 307 . 1 . 1 113 113 SER CA C 13 58.677 0.006 . 1 . . . . . 212 SER CA . 51861 1 308 . 1 . 1 113 113 SER N N 15 119.117 0.015 . 1 . . . . . 212 SER N . 51861 1 309 . 1 . 1 114 114 SER H H 1 7.998 0.003 . 1 . . . . . 213 SER H . 51861 1 310 . 1 . 1 114 114 SER CA C 13 60.018 0.000 . 1 . . . . . 213 SER CA . 51861 1 311 . 1 . 1 114 114 SER N N 15 123.202 0.011 . 1 . . . . . 213 SER N . 51861 1 stop_ save_