################################### # 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 18280 _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' . . . 18280 1 5 '3D HNCA' . . . 18280 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 3 3 LEU H H 1 8.501 0.004 . 1 . . . . 109 LEU H . 18280 1 2 . 1 1 3 3 LEU C C 13 177.914 0.000 . 1 . . . . 109 LEU C . 18280 1 3 . 1 1 3 3 LEU CA C 13 55.423 0.026 . 1 . . . . 109 LEU CA . 18280 1 4 . 1 1 3 3 LEU CB C 13 42.300 0.020 . 1 . . . . 109 LEU CB . 18280 1 5 . 1 1 3 3 LEU N N 15 122.245 0.012 . 1 . . . . 109 LEU N . 18280 1 6 . 1 1 4 4 GLY H H 1 8.355 0.001 . 1 . . . . 110 GLY H . 18280 1 7 . 1 1 4 4 GLY C C 13 174.284 0.000 . 1 . . . . 110 GLY C . 18280 1 8 . 1 1 4 4 GLY CA C 13 45.392 0.002 . 1 . . . . 110 GLY CA . 18280 1 9 . 1 1 4 4 GLY N N 15 109.783 0.003 . 1 . . . . 110 GLY N . 18280 1 10 . 1 1 5 5 SER H H 1 8.268 0.002 . 1 . . . . 111 SER H . 18280 1 11 . 1 1 5 5 SER C C 13 174.982 0.000 . 1 . . . . 111 SER C . 18280 1 12 . 1 1 5 5 SER CA C 13 58.577 0.005 . 1 . . . . 111 SER CA . 18280 1 13 . 1 1 5 5 SER CB C 13 63.971 0.002 . 1 . . . . 111 SER CB . 18280 1 14 . 1 1 5 5 SER N N 15 115.773 0.006 . 1 . . . . 111 SER N . 18280 1 15 . 1 1 6 6 GLY H H 1 8.433 0.001 . 1 . . . . 112 GLY H . 18280 1 16 . 1 1 6 6 GLY C C 13 173.566 0.000 . 1 . . . . 112 GLY C . 18280 1 17 . 1 1 6 6 GLY CA C 13 45.339 0.053 . 1 . . . . 112 GLY CA . 18280 1 18 . 1 1 6 6 GLY N N 15 110.662 0.006 . 1 . . . . 112 GLY N . 18280 1 19 . 1 1 7 7 PHE H H 1 8.003 0.006 . 1 . . . . 113 PHE H . 18280 1 20 . 1 1 7 7 PHE C C 13 175.947 0.000 . 1 . . . . 113 PHE C . 18280 1 21 . 1 1 7 7 PHE CA C 13 57.705 0.009 . 1 . . . . 113 PHE CA . 18280 1 22 . 1 1 7 7 PHE CB C 13 40.021 0.016 . 1 . . . . 113 PHE CB . 18280 1 23 . 1 1 7 7 PHE N N 15 120.314 0.161 . 1 . . . . 113 PHE N . 18280 1 24 . 1 1 8 8 VAL H H 1 8.605 0.004 . 1 . . . . 114 VAL H . 18280 1 25 . 1 1 8 8 VAL C C 13 175.231 0.000 . 1 . . . . 114 VAL C . 18280 1 26 . 1 1 8 8 VAL CA C 13 62.296 0.007 . 1 . . . . 114 VAL CA . 18280 1 27 . 1 1 8 8 VAL CB C 13 33.037 0.011 . 1 . . . . 114 VAL CB . 18280 1 28 . 1 1 8 8 VAL N N 15 123.712 0.008 . 1 . . . . 114 VAL N . 18280 1 29 . 1 1 9 9 ASN H H 1 8.747 0.005 . 1 . . . . 115 ASN H . 18280 1 30 . 1 1 9 9 ASN C C 13 175.210 0.000 . 1 . . . . 115 ASN C . 18280 1 31 . 1 1 9 9 ASN CA C 13 52.696 0.033 . 1 . . . . 115 ASN CA . 18280 1 32 . 1 1 9 9 ASN CB C 13 39.845 0.017 . 1 . . . . 115 ASN CB . 18280 1 33 . 1 1 9 9 ASN N N 15 124.399 0.126 . 1 . . . . 115 ASN N . 18280 1 34 . 1 1 10 10 LYS H H 1 8.738 0.004 . 1 . . . . 116 LYS H . 18280 1 35 . 1 1 10 10 LYS C C 13 175.241 0.000 . 1 . . . . 116 LYS C . 18280 1 36 . 1 1 10 10 LYS CA C 13 59.705 0.011 . 1 . . . . 116 LYS CA . 18280 1 37 . 1 1 10 10 LYS CB C 13 32.202 0.031 . 1 . . . . 116 LYS CB . 18280 1 38 . 1 1 10 10 LYS N N 15 124.449 0.032 . 1 . . . . 116 LYS N . 18280 1 39 . 1 1 11 11 ASP H H 1 8.134 0.005 . 1 . . . . 117 ASP H . 18280 1 40 . 1 1 11 11 ASP C C 13 178.648 0.000 . 1 . . . . 117 ASP C . 18280 1 41 . 1 1 11 11 ASP CA C 13 57.277 0.018 . 1 . . . . 117 ASP CA . 18280 1 42 . 1 1 11 11 ASP CB C 13 40.345 0.023 . 1 . . . . 117 ASP CB . 18280 1 43 . 1 1 11 11 ASP N N 15 117.514 0.016 . 1 . . . . 117 ASP N . 18280 1 44 . 1 1 12 12 GLN H H 1 7.705 0.007 . 1 . . . . 118 GLN H . 18280 1 45 . 1 1 12 12 GLN C C 13 177.103 0.000 . 1 . . . . 118 GLN C . 18280 1 46 . 1 1 12 12 GLN CA C 13 58.057 0.016 . 1 . . . . 118 GLN CA . 18280 1 47 . 1 1 12 12 GLN CB C 13 28.657 0.026 . 1 . . . . 118 GLN CB . 18280 1 48 . 1 1 12 12 GLN N N 15 120.452 0.015 . 1 . . . . 118 GLN N . 18280 1 49 . 1 1 13 13 ILE H H 1 7.698 0.000 . 1 . . . . 119 ILE H . 18280 1 50 . 1 1 13 13 ILE C C 13 176.903 0.000 . 1 . . . . 119 ILE C . 18280 1 51 . 1 1 13 13 ILE CA C 13 62.304 0.008 . 1 . . . . 119 ILE CA . 18280 1 52 . 1 1 13 13 ILE CB C 13 37.527 0.008 . 1 . . . . 119 ILE CB . 18280 1 53 . 1 1 13 13 ILE N N 15 118.704 0.009 . 1 . . . . 119 ILE N . 18280 1 54 . 1 1 14 14 ALA H H 1 7.671 0.002 . 1 . . . . 120 ALA H . 18280 1 55 . 1 1 14 14 ALA C C 13 179.329 0.000 . 1 . . . . 120 ALA C . 18280 1 56 . 1 1 14 14 ALA CA C 13 55.661 0.019 . 1 . . . . 120 ALA CA . 18280 1 57 . 1 1 14 14 ALA CB C 13 17.778 0.038 . 1 . . . . 120 ALA CB . 18280 1 58 . 1 1 14 14 ALA N N 15 122.292 0.004 . 1 . . . . 120 ALA N . 18280 1 59 . 1 1 15 15 LYS H H 1 7.304 0.001 . 1 . . . . 121 LYS H . 18280 1 60 . 1 1 15 15 LYS C C 13 179.153 0.000 . 1 . . . . 121 LYS C . 18280 1 61 . 1 1 15 15 LYS CA C 13 60.182 0.014 . 1 . . . . 121 LYS CA . 18280 1 62 . 1 1 15 15 LYS CB C 13 32.171 0.033 . 1 . . . . 121 LYS CB . 18280 1 63 . 1 1 15 15 LYS N N 15 117.450 0.021 . 1 . . . . 121 LYS N . 18280 1 64 . 1 1 16 16 ASP H H 1 8.282 0.001 . 1 . . . . 122 ASP H . 18280 1 65 . 1 1 16 16 ASP C C 13 179.095 0.000 . 1 . . . . 122 ASP C . 18280 1 66 . 1 1 16 16 ASP CA C 13 57.677 0.012 . 1 . . . . 122 ASP CA . 18280 1 67 . 1 1 16 16 ASP CB C 13 40.275 0.062 . 1 . . . . 122 ASP CB . 18280 1 68 . 1 1 16 16 ASP N N 15 121.883 0.006 . 1 . . . . 122 ASP N . 18280 1 69 . 1 1 17 17 VAL H H 1 8.651 0.001 . 1 . . . . 123 VAL H . 18280 1 70 . 1 1 17 17 VAL C C 13 177.874 0.000 . 1 . . . . 123 VAL C . 18280 1 71 . 1 1 17 17 VAL CA C 13 67.678 0.010 . 1 . . . . 123 VAL CA . 18280 1 72 . 1 1 17 17 VAL CB C 13 30.936 0.027 . 1 . . . . 123 VAL CB . 18280 1 73 . 1 1 17 17 VAL N N 15 121.497 0.006 . 1 . . . . 123 VAL N . 18280 1 74 . 1 1 18 18 LYS H H 1 8.316 0.002 . 1 . . . . 124 LYS H . 18280 1 75 . 1 1 18 18 LYS C C 13 177.874 0.000 . 1 . . . . 124 LYS C . 18280 1 76 . 1 1 18 18 LYS CA C 13 61.313 0.001 . 1 . . . . 124 LYS CA . 18280 1 77 . 1 1 18 18 LYS CB C 13 32.374 0.000 . 1 . . . . 124 LYS CB . 18280 1 78 . 1 1 18 18 LYS N N 15 120.690 0.023 . 1 . . . . 124 LYS N . 18280 1 79 . 1 1 19 19 GLN H H 1 8.038 0.002 . 1 . . . . 125 GLN H . 18280 1 80 . 1 1 19 19 GLN C C 13 177.977 0.000 . 1 . . . . 125 GLN C . 18280 1 81 . 1 1 19 19 GLN CA C 13 59.021 0.012 . 1 . . . . 125 GLN CA . 18280 1 82 . 1 1 19 19 GLN CB C 13 28.307 0.028 . 1 . . . . 125 GLN CB . 18280 1 83 . 1 1 19 19 GLN N N 15 117.843 0.008 . 1 . . . . 125 GLN N . 18280 1 84 . 1 1 20 20 PHE H H 1 8.536 0.003 . 1 . . . . 126 PHE H . 18280 1 85 . 1 1 20 20 PHE C C 13 176.889 0.000 . 1 . . . . 126 PHE C . 18280 1 86 . 1 1 20 20 PHE CA C 13 62.064 0.008 . 1 . . . . 126 PHE CA . 18280 1 87 . 1 1 20 20 PHE CB C 13 39.494 0.062 . 1 . . . . 126 PHE CB . 18280 1 88 . 1 1 20 20 PHE N N 15 121.721 0.013 . 1 . . . . 126 PHE N . 18280 1 89 . 1 1 21 21 TYR H H 1 8.623 0.001 . 1 . . . . 127 TYR H . 18280 1 90 . 1 1 21 21 TYR C C 13 175.519 0.000 . 1 . . . . 127 TYR C . 18280 1 91 . 1 1 21 21 TYR CA C 13 62.265 0.014 . 1 . . . . 127 TYR CA . 18280 1 92 . 1 1 21 21 TYR CB C 13 37.769 0.008 . 1 . . . . 127 TYR CB . 18280 1 93 . 1 1 21 21 TYR N N 15 120.992 0.008 . 1 . . . . 127 TYR N . 18280 1 94 . 1 1 22 22 ASP H H 1 8.528 0.004 . 1 . . . . 128 ASP H . 18280 1 95 . 1 1 22 22 ASP C C 13 179.376 0.000 . 1 . . . . 128 ASP C . 18280 1 96 . 1 1 22 22 ASP CA C 13 57.277 0.020 . 1 . . . . 128 ASP CA . 18280 1 97 . 1 1 22 22 ASP CB C 13 40.170 0.023 . 1 . . . . 128 ASP CB . 18280 1 98 . 1 1 22 22 ASP N N 15 120.504 0.010 . 1 . . . . 128 ASP N . 18280 1 99 . 1 1 23 23 GLN H H 1 8.161 0.001 . 1 . . . . 129 GLN H . 18280 1 100 . 1 1 23 23 GLN C C 13 178.396 0.000 . 1 . . . . 129 GLN C . 18280 1 101 . 1 1 23 23 GLN CA C 13 58.669 0.016 . 1 . . . . 129 GLN CA . 18280 1 102 . 1 1 23 23 GLN CB C 13 28.273 0.013 . 1 . . . . 129 GLN CB . 18280 1 103 . 1 1 23 23 GLN N N 15 119.046 0.008 . 1 . . . . 129 GLN N . 18280 1 104 . 1 1 24 24 ALA H H 1 7.624 0.003 . 1 . . . . 130 ALA H . 18280 1 105 . 1 1 24 24 ALA C C 13 178.735 0.000 . 1 . . . . 130 ALA C . 18280 1 106 . 1 1 24 24 ALA CA C 13 54.740 0.015 . 1 . . . . 130 ALA CA . 18280 1 107 . 1 1 24 24 ALA CB C 13 17.006 0.017 . 1 . . . . 130 ALA CB . 18280 1 108 . 1 1 24 24 ALA N N 15 123.475 0.010 . 1 . . . . 130 ALA N . 18280 1 109 . 1 1 25 25 LEU H H 1 8.537 0.002 . 1 . . . . 131 LEU H . 18280 1 110 . 1 1 25 25 LEU C C 13 178.061 0.000 . 1 . . . . 131 LEU C . 18280 1 111 . 1 1 25 25 LEU CA C 13 58.340 0.022 . 1 . . . . 131 LEU CA . 18280 1 112 . 1 1 25 25 LEU CB C 13 41.409 0.060 . 1 . . . . 131 LEU CB . 18280 1 113 . 1 1 25 25 LEU N N 15 120.263 0.005 . 1 . . . . 131 LEU N . 18280 1 114 . 1 1 26 26 GLN H H 1 7.675 0.002 . 1 . . . . 132 GLN H . 18280 1 115 . 1 1 26 26 GLN C C 13 178.526 0.000 . 1 . . . . 132 GLN C . 18280 1 116 . 1 1 26 26 GLN CA C 13 59.215 0.017 . 1 . . . . 132 GLN CA . 18280 1 117 . 1 1 26 26 GLN CB C 13 29.412 0.001 . 1 . . . . 132 GLN CB . 18280 1 118 . 1 1 26 26 GLN N N 15 113.656 0.015 . 1 . . . . 132 GLN N . 18280 1 119 . 1 1 27 27 GLN H H 1 7.454 0.002 . 1 . . . . 133 GLN H . 18280 1 120 . 1 1 27 27 GLN C C 13 177.838 0.000 . 1 . . . . 133 GLN C . 18280 1 121 . 1 1 27 27 GLN CA C 13 58.146 0.022 . 1 . . . . 133 GLN CA . 18280 1 122 . 1 1 27 27 GLN CB C 13 29.131 0.077 . 1 . . . . 133 GLN CB . 18280 1 123 . 1 1 27 27 GLN N N 15 116.525 0.004 . 1 . . . . 133 GLN N . 18280 1 124 . 1 1 28 28 ALA H H 1 8.618 0.001 . 1 . . . . 134 ALA H . 18280 1 125 . 1 1 28 28 ALA C C 13 178.765 0.000 . 1 . . . . 134 ALA C . 18280 1 126 . 1 1 28 28 ALA CA C 13 54.667 0.025 . 1 . . . . 134 ALA CA . 18280 1 127 . 1 1 28 28 ALA CB C 13 19.579 0.024 . 1 . . . . 134 ALA CB . 18280 1 128 . 1 1 28 28 ALA N N 15 120.508 0.009 . 1 . . . . 134 ALA N . 18280 1 129 . 1 1 29 29 VAL H H 1 7.251 0.002 . 1 . . . . 135 VAL H . 18280 1 130 . 1 1 29 29 VAL C C 13 176.482 0.000 . 1 . . . . 135 VAL C . 18280 1 131 . 1 1 29 29 VAL CA C 13 62.617 0.008 . 1 . . . . 135 VAL CA . 18280 1 132 . 1 1 29 29 VAL CB C 13 31.597 0.076 . 1 . . . . 135 VAL CB . 18280 1 133 . 1 1 29 29 VAL N N 15 106.960 0.025 . 1 . . . . 135 VAL N . 18280 1 134 . 1 1 30 30 VAL H H 1 7.311 0.001 . 1 . . . . 136 VAL H . 18280 1 135 . 1 1 30 30 VAL C C 13 175.697 0.000 . 1 . . . . 136 VAL C . 18280 1 136 . 1 1 30 30 VAL CA C 13 62.578 0.000 . 1 . . . . 136 VAL CA . 18280 1 137 . 1 1 30 30 VAL CB C 13 32.532 0.001 . 1 . . . . 136 VAL CB . 18280 1 138 . 1 1 30 30 VAL N N 15 117.619 0.033 . 1 . . . . 136 VAL N . 18280 1 139 . 1 1 31 31 ASP H H 1 8.008 0.001 . 1 . . . . 137 ASP H . 18280 1 140 . 1 1 31 31 ASP C C 13 175.767 0.000 . 1 . . . . 137 ASP C . 18280 1 141 . 1 1 31 31 ASP CA C 13 54.599 0.017 . 1 . . . . 137 ASP CA . 18280 1 142 . 1 1 31 31 ASP CB C 13 41.194 0.019 . 1 . . . . 137 ASP CB . 18280 1 143 . 1 1 31 31 ASP N N 15 120.726 0.008 . 1 . . . . 137 ASP N . 18280 1 144 . 1 1 32 32 ASP H H 1 8.286 0.001 . 1 . . . . 138 ASP H . 18280 1 145 . 1 1 32 32 ASP C C 13 176.143 0.000 . 1 . . . . 138 ASP C . 18280 1 146 . 1 1 32 32 ASP CA C 13 54.545 0.017 . 1 . . . . 138 ASP CA . 18280 1 147 . 1 1 32 32 ASP CB C 13 41.207 0.000 . 1 . . . . 138 ASP CB . 18280 1 148 . 1 1 32 32 ASP N N 15 120.661 0.008 . 1 . . . . 138 ASP N . 18280 1 149 . 1 1 33 33 ASP H H 1 8.415 0.001 . 1 . . . . 139 ASP H . 18280 1 150 . 1 1 33 33 ASP C C 13 176.823 0.000 . 1 . . . . 139 ASP C . 18280 1 151 . 1 1 33 33 ASP CA C 13 54.451 0.000 . 1 . . . . 139 ASP CA . 18280 1 152 . 1 1 33 33 ASP CB C 13 41.504 0.011 . 1 . . . . 139 ASP CB . 18280 1 153 . 1 1 33 33 ASP N N 15 121.247 0.007 . 1 . . . . 139 ASP N . 18280 1 154 . 1 1 34 34 ALA H H 1 8.145 0.001 . 1 . . . . 140 ALA H . 18280 1 155 . 1 1 34 34 ALA C C 13 177.503 0.000 . 1 . . . . 140 ALA C . 18280 1 156 . 1 1 34 34 ALA CA C 13 52.871 0.004 . 1 . . . . 140 ALA CA . 18280 1 157 . 1 1 34 34 ALA CB C 13 18.566 0.041 . 1 . . . . 140 ALA CB . 18280 1 158 . 1 1 34 34 ALA N N 15 124.808 0.003 . 1 . . . . 140 ALA N . 18280 1 159 . 1 1 35 35 ASN H H 1 8.276 0.004 . 1 . . . . 141 ASN H . 18280 1 160 . 1 1 35 35 ASN CA C 13 54.322 0.000 . 1 . . . . 141 ASN CA . 18280 1 161 . 1 1 35 35 ASN CB C 13 39.233 0.000 . 1 . . . . 141 ASN CB . 18280 1 162 . 1 1 35 35 ASN N N 15 117.417 0.021 . 1 . . . . 141 ASN N . 18280 1 163 . 1 1 36 36 ASN C C 13 176.100 0.000 . 1 . . . . 142 ASN C . 18280 1 164 . 1 1 36 36 ASN CA C 13 55.236 0.000 . 1 . . . . 142 ASN CA . 18280 1 165 . 1 1 36 36 ASN CB C 13 38.484 0.000 . 1 . . . . 142 ASN CB . 18280 1 166 . 1 1 37 37 ALA H H 1 8.231 0.001 . 1 . . . . 143 ALA H . 18280 1 167 . 1 1 37 37 ALA C C 13 179.804 0.000 . 1 . . . . 143 ALA C . 18280 1 168 . 1 1 37 37 ALA CA C 13 56.075 0.016 . 1 . . . . 143 ALA CA . 18280 1 169 . 1 1 37 37 ALA CB C 13 18.653 0.007 . 1 . . . . 143 ALA CB . 18280 1 170 . 1 1 37 37 ALA N N 15 122.336 0.007 . 1 . . . . 143 ALA N . 18280 1 171 . 1 1 38 38 LYS H H 1 8.496 0.001 . 1 . . . . 144 LYS H . 18280 1 172 . 1 1 38 38 LYS C C 13 177.899 0.000 . 1 . . . . 144 LYS C . 18280 1 173 . 1 1 38 38 LYS CA C 13 61.109 0.012 . 1 . . . . 144 LYS CA . 18280 1 174 . 1 1 38 38 LYS CB C 13 32.715 0.017 . 1 . . . . 144 LYS CB . 18280 1 175 . 1 1 38 38 LYS N N 15 115.944 0.004 . 1 . . . . 144 LYS N . 18280 1 176 . 1 1 39 39 ALA H H 1 7.733 0.001 . 1 . . . . 145 ALA H . 18280 1 177 . 1 1 39 39 ALA C C 13 181.234 0.000 . 1 . . . . 145 ALA C . 18280 1 178 . 1 1 39 39 ALA CA C 13 55.338 0.008 . 1 . . . . 145 ALA CA . 18280 1 179 . 1 1 39 39 ALA CB C 13 18.124 0.055 . 1 . . . . 145 ALA CB . 18280 1 180 . 1 1 39 39 ALA N N 15 121.104 0.012 . 1 . . . . 145 ALA N . 18280 1 181 . 1 1 40 40 VAL H H 1 8.234 0.001 . 1 . . . . 146 VAL H . 18280 1 182 . 1 1 40 40 VAL C C 13 178.077 0.000 . 1 . . . . 146 VAL C . 18280 1 183 . 1 1 40 40 VAL CA C 13 67.674 0.011 . 1 . . . . 146 VAL CA . 18280 1 184 . 1 1 40 40 VAL CB C 13 32.227 0.000 . 1 . . . . 146 VAL CB . 18280 1 185 . 1 1 40 40 VAL N N 15 120.773 0.010 . 1 . . . . 146 VAL N . 18280 1 186 . 1 1 41 41 VAL H H 1 8.445 0.005 . 1 . . . . 147 VAL H . 18280 1 187 . 1 1 41 41 VAL C C 13 177.081 0.000 . 1 . . . . 147 VAL C . 18280 1 188 . 1 1 41 41 VAL CA C 13 67.416 0.003 . 1 . . . . 147 VAL CA . 18280 1 189 . 1 1 41 41 VAL CB C 13 30.774 0.000 . 1 . . . . 147 VAL CB . 18280 1 190 . 1 1 41 41 VAL N N 15 117.380 0.006 . 1 . . . . 147 VAL N . 18280 1 191 . 1 1 42 42 LYS H H 1 8.329 0.004 . 1 . . . . 148 LYS H . 18280 1 192 . 1 1 42 42 LYS C C 13 179.068 0.000 . 1 . . . . 148 LYS C . 18280 1 193 . 1 1 42 42 LYS CA C 13 60.761 0.001 . 1 . . . . 148 LYS CA . 18280 1 194 . 1 1 42 42 LYS CB C 13 32.411 0.015 . 1 . . . . 148 LYS CB . 18280 1 195 . 1 1 42 42 LYS N N 15 119.164 0.012 . 1 . . . . 148 LYS N . 18280 1 196 . 1 1 43 43 THR H H 1 8.157 0.002 . 1 . . . . 149 THR H . 18280 1 197 . 1 1 43 43 THR C C 13 178.054 0.000 . 1 . . . . 149 THR C . 18280 1 198 . 1 1 43 43 THR CA C 13 67.528 0.008 . 1 . . . . 149 THR CA . 18280 1 199 . 1 1 43 43 THR CB C 13 68.262 0.000 . 1 . . . . 149 THR CB . 18280 1 200 . 1 1 43 43 THR N N 15 115.947 0.015 . 1 . . . . 149 THR N . 18280 1 201 . 1 1 44 44 PHE H H 1 9.020 0.002 . 1 . . . . 150 PHE H . 18280 1 202 . 1 1 44 44 PHE C C 13 177.413 0.000 . 1 . . . . 150 PHE C . 18280 1 203 . 1 1 44 44 PHE CA C 13 63.994 0.010 . 1 . . . . 150 PHE CA . 18280 1 204 . 1 1 44 44 PHE CB C 13 39.531 0.067 . 1 . . . . 150 PHE CB . 18280 1 205 . 1 1 44 44 PHE N N 15 126.802 0.008 . 1 . . . . 150 PHE N . 18280 1 206 . 1 1 45 45 HIS H H 1 9.047 0.003 . 1 . . . . 151 HIS H . 18280 1 207 . 1 1 45 45 HIS C C 13 178.774 0.000 . 1 . . . . 151 HIS C . 18280 1 208 . 1 1 45 45 HIS CA C 13 57.741 0.016 . 1 . . . . 151 HIS CA . 18280 1 209 . 1 1 45 45 HIS CB C 13 29.726 0.002 . 1 . . . . 151 HIS CB . 18280 1 210 . 1 1 45 45 HIS N N 15 117.467 0.013 . 1 . . . . 151 HIS N . 18280 1 211 . 1 1 46 46 GLU H H 1 8.542 0.012 . 1 . . . . 152 GLU H . 18280 1 212 . 1 1 46 46 GLU C C 13 178.745 0.000 . 1 . . . . 152 GLU C . 18280 1 213 . 1 1 46 46 GLU CA C 13 58.733 0.003 . 1 . . . . 152 GLU CA . 18280 1 214 . 1 1 46 46 GLU CB C 13 30.412 0.029 . 1 . . . . 152 GLU CB . 18280 1 215 . 1 1 46 46 GLU N N 15 116.129 0.034 . 1 . . . . 152 GLU N . 18280 1 216 . 1 1 47 47 THR H H 1 8.256 0.004 . 1 . . . . 153 THR H . 18280 1 217 . 1 1 47 47 THR C C 13 175.258 0.000 . 1 . . . . 153 THR C . 18280 1 218 . 1 1 47 47 THR CA C 13 66.612 0.002 . 1 . . . . 153 THR CA . 18280 1 219 . 1 1 47 47 THR CB C 13 68.888 0.035 . 1 . . . . 153 THR CB . 18280 1 220 . 1 1 47 47 THR N N 15 115.402 0.012 . 1 . . . . 153 THR N . 18280 1 221 . 1 1 48 48 LEU H H 1 8.174 0.010 . 1 . . . . 154 LEU H . 18280 1 222 . 1 1 48 48 LEU C C 13 175.503 0.000 . 1 . . . . 154 LEU C . 18280 1 223 . 1 1 48 48 LEU CA C 13 54.610 0.026 . 1 . . . . 154 LEU CA . 18280 1 224 . 1 1 48 48 LEU CB C 13 41.669 0.007 . 1 . . . . 154 LEU CB . 18280 1 225 . 1 1 48 48 LEU N N 15 116.915 0.042 . 1 . . . . 154 LEU N . 18280 1 226 . 1 1 49 49 ASP H H 1 7.402 0.006 . 1 . . . . 155 ASP H . 18280 1 227 . 1 1 49 49 ASP C C 13 173.404 0.000 . 1 . . . . 155 ASP C . 18280 1 228 . 1 1 49 49 ASP CA C 13 54.532 0.026 . 1 . . . . 155 ASP CA . 18280 1 229 . 1 1 49 49 ASP CB C 13 38.766 0.023 . 1 . . . . 155 ASP CB . 18280 1 230 . 1 1 49 49 ASP N N 15 117.963 0.053 . 1 . . . . 155 ASP N . 18280 1 231 . 1 1 50 50 CYS H H 1 8.521 0.005 . 1 . . . . 156 CYS H . 18280 1 232 . 1 1 50 50 CYS C C 13 170.659 0.000 . 1 . . . . 156 CYS C . 18280 1 233 . 1 1 50 50 CYS CA C 13 54.853 0.008 . 1 . . . . 156 CYS CA . 18280 1 234 . 1 1 50 50 CYS CB C 13 49.761 0.000 . 1 . . . . 156 CYS CB . 18280 1 235 . 1 1 50 50 CYS N N 15 114.773 0.036 . 1 . . . . 156 CYS N . 18280 1 236 . 1 1 51 51 CYS H H 1 8.654 0.003 . 1 . . . . 157 CYS H . 18280 1 237 . 1 1 51 51 CYS C C 13 172.660 0.000 . 1 . . . . 157 CYS C . 18280 1 238 . 1 1 51 51 CYS CA C 13 55.935 0.030 . 1 . . . . 157 CYS CA . 18280 1 239 . 1 1 51 51 CYS CB C 13 40.959 0.000 . 1 . . . . 157 CYS CB . 18280 1 240 . 1 1 51 51 CYS N N 15 116.518 0.030 . 1 . . . . 157 CYS N . 18280 1 241 . 1 1 52 52 GLY H H 1 7.001 0.006 . 1 . . . . 158 GLY H . 18280 1 242 . 1 1 52 52 GLY CA C 13 44.516 0.000 . 1 . . . . 158 GLY CA . 18280 1 243 . 1 1 52 52 GLY N N 15 114.633 0.009 . 1 . . . . 158 GLY N . 18280 1 244 . 1 1 54 54 SER C C 13 175.944 0.000 . 1 . . . . 160 SER C . 18280 1 245 . 1 1 54 54 SER CA C 13 60.468 0.000 . 1 . . . . 160 SER CA . 18280 1 246 . 1 1 54 54 SER CB C 13 62.857 0.000 . 1 . . . . 160 SER CB . 18280 1 247 . 1 1 55 55 THR H H 1 7.667 0.002 . 1 . . . . 161 THR H . 18280 1 248 . 1 1 55 55 THR C C 13 175.980 0.000 . 1 . . . . 161 THR C . 18280 1 249 . 1 1 55 55 THR CA C 13 62.936 0.007 . 1 . . . . 161 THR CA . 18280 1 250 . 1 1 55 55 THR CB C 13 68.485 0.004 . 1 . . . . 161 THR CB . 18280 1 251 . 1 1 55 55 THR N N 15 112.290 0.006 . 1 . . . . 161 THR N . 18280 1 252 . 1 1 56 56 LEU H H 1 7.364 0.008 . 1 . . . . 162 LEU H . 18280 1 253 . 1 1 56 56 LEU C C 13 178.395 0.000 . 1 . . . . 162 LEU C . 18280 1 254 . 1 1 56 56 LEU CA C 13 53.420 0.030 . 1 . . . . 162 LEU CA . 18280 1 255 . 1 1 56 56 LEU CB C 13 41.266 0.078 . 1 . . . . 162 LEU CB . 18280 1 256 . 1 1 56 56 LEU N N 15 124.206 0.014 . 1 . . . . 162 LEU N . 18280 1 257 . 1 1 57 57 THR H H 1 7.628 0.011 . 1 . . . . 163 THR H . 18280 1 258 . 1 1 57 57 THR C C 13 176.868 0.000 . 1 . . . . 163 THR C . 18280 1 259 . 1 1 57 57 THR CA C 13 64.872 0.003 . 1 . . . . 163 THR CA . 18280 1 260 . 1 1 57 57 THR CB C 13 68.895 0.016 . 1 . . . . 163 THR CB . 18280 1 261 . 1 1 57 57 THR N N 15 115.626 0.042 . 1 . . . . 163 THR N . 18280 1 262 . 1 1 58 58 ALA H H 1 8.720 0.004 . 1 . . . . 164 ALA H . 18280 1 263 . 1 1 58 58 ALA C C 13 179.029 0.000 . 1 . . . . 164 ALA C . 18280 1 264 . 1 1 58 58 ALA CA C 13 54.272 0.030 . 1 . . . . 164 ALA CA . 18280 1 265 . 1 1 58 58 ALA CB C 13 18.360 0.005 . 1 . . . . 164 ALA CB . 18280 1 266 . 1 1 58 58 ALA N N 15 123.507 0.022 . 1 . . . . 164 ALA N . 18280 1 267 . 1 1 59 59 LEU H H 1 7.876 0.011 . 1 . . . . 165 LEU H . 18280 1 268 . 1 1 59 59 LEU C C 13 177.809 0.000 . 1 . . . . 165 LEU C . 18280 1 269 . 1 1 59 59 LEU CA C 13 55.228 0.003 . 1 . . . . 165 LEU CA . 18280 1 270 . 1 1 59 59 LEU CB C 13 42.021 0.034 . 1 . . . . 165 LEU CB . 18280 1 271 . 1 1 59 59 LEU N N 15 115.463 0.020 . 1 . . . . 165 LEU N . 18280 1 272 . 1 1 60 60 THR H H 1 7.749 0.011 . 1 . . . . 166 THR H . 18280 1 273 . 1 1 60 60 THR C C 13 175.472 0.000 . 1 . . . . 166 THR C . 18280 1 274 . 1 1 60 60 THR CA C 13 67.185 0.036 . 1 . . . . 166 THR CA . 18280 1 275 . 1 1 60 60 THR N N 15 116.290 0.012 . 1 . . . . 166 THR N . 18280 1 276 . 1 1 61 61 THR H H 1 8.413 0.005 . 1 . . . . 167 THR H . 18280 1 277 . 1 1 61 61 THR C C 13 176.584 0.000 . 1 . . . . 167 THR C . 18280 1 278 . 1 1 61 61 THR CA C 13 66.473 0.001 . 1 . . . . 167 THR CA . 18280 1 279 . 1 1 61 61 THR CB C 13 68.426 0.017 . 1 . . . . 167 THR CB . 18280 1 280 . 1 1 61 61 THR N N 15 114.806 0.062 . 1 . . . . 167 THR N . 18280 1 281 . 1 1 62 62 SER H H 1 7.947 0.003 . 1 . . . . 168 SER H . 18280 1 282 . 1 1 62 62 SER C C 13 176.560 0.000 . 1 . . . . 168 SER C . 18280 1 283 . 1 1 62 62 SER CA C 13 61.910 0.004 . 1 . . . . 168 SER CA . 18280 1 284 . 1 1 62 62 SER CB C 13 63.114 0.007 . 1 . . . . 168 SER CB . 18280 1 285 . 1 1 62 62 SER N N 15 118.374 0.015 . 1 . . . . 168 SER N . 18280 1 286 . 1 1 63 63 VAL H H 1 8.315 0.003 . 1 . . . . 169 VAL H . 18280 1 287 . 1 1 63 63 VAL C C 13 177.687 0.000 . 1 . . . . 169 VAL C . 18280 1 288 . 1 1 63 63 VAL CA C 13 66.632 0.005 . 1 . . . . 169 VAL CA . 18280 1 289 . 1 1 63 63 VAL CB C 13 31.687 0.000 . 1 . . . . 169 VAL CB . 18280 1 290 . 1 1 63 63 VAL N N 15 123.930 0.027 . 1 . . . . 169 VAL N . 18280 1 291 . 1 1 64 64 LEU H H 1 7.956 0.003 . 1 . . . . 170 LEU H . 18280 1 292 . 1 1 64 64 LEU C C 13 181.205 0.000 . 1 . . . . 170 LEU C . 18280 1 293 . 1 1 64 64 LEU CA C 13 57.572 0.008 . 1 . . . . 170 LEU CA . 18280 1 294 . 1 1 64 64 LEU CB C 13 41.624 0.000 . 1 . . . . 170 LEU CB . 18280 1 295 . 1 1 64 64 LEU N N 15 119.646 0.019 . 1 . . . . 170 LEU N . 18280 1 296 . 1 1 65 65 LYS H H 1 8.292 0.005 . 1 . . . . 171 LYS H . 18280 1 297 . 1 1 65 65 LYS C C 13 177.410 0.000 . 1 . . . . 171 LYS C . 18280 1 298 . 1 1 65 65 LYS CA C 13 58.956 0.005 . 1 . . . . 171 LYS CA . 18280 1 299 . 1 1 65 65 LYS CB C 13 32.491 0.034 . 1 . . . . 171 LYS CB . 18280 1 300 . 1 1 65 65 LYS N N 15 120.957 0.008 . 1 . . . . 171 LYS N . 18280 1 301 . 1 1 66 66 ASN H H 1 7.577 0.002 . 1 . . . . 172 ASN H . 18280 1 302 . 1 1 66 66 ASN C C 13 173.829 0.000 . 1 . . . . 172 ASN C . 18280 1 303 . 1 1 66 66 ASN CA C 13 53.931 0.006 . 1 . . . . 172 ASN CA . 18280 1 304 . 1 1 66 66 ASN CB C 13 39.156 0.007 . 1 . . . . 172 ASN CB . 18280 1 305 . 1 1 66 66 ASN N N 15 114.352 0.009 . 1 . . . . 172 ASN N . 18280 1 306 . 1 1 67 67 ASN H H 1 8.103 0.002 . 1 . . . . 173 ASN H . 18280 1 307 . 1 1 67 67 ASN C C 13 175.538 0.000 . 1 . . . . 173 ASN C . 18280 1 308 . 1 1 67 67 ASN CA C 13 54.495 0.030 . 1 . . . . 173 ASN CA . 18280 1 309 . 1 1 67 67 ASN CB C 13 37.119 0.004 . 1 . . . . 173 ASN CB . 18280 1 310 . 1 1 67 67 ASN N N 15 115.263 0.004 . 1 . . . . 173 ASN N . 18280 1 311 . 1 1 68 68 LEU H H 1 7.604 0.001 . 1 . . . . 174 LEU H . 18280 1 312 . 1 1 68 68 LEU C C 13 177.523 0.000 . 1 . . . . 174 LEU C . 18280 1 313 . 1 1 68 68 LEU CA C 13 55.334 0.012 . 1 . . . . 174 LEU CA . 18280 1 314 . 1 1 68 68 LEU CB C 13 42.335 0.007 . 1 . . . . 174 LEU CB . 18280 1 315 . 1 1 68 68 LEU N N 15 112.572 0.009 . 1 . . . . 174 LEU N . 18280 1 316 . 1 1 69 69 CYS H H 1 8.649 0.008 . 1 . . . . 175 CYS H . 18280 1 317 . 1 1 69 69 CYS CA C 13 52.643 0.000 . 1 . . . . 175 CYS CA . 18280 1 318 . 1 1 69 69 CYS CB C 13 39.678 0.000 . 1 . . . . 175 CYS CB . 18280 1 319 . 1 1 69 69 CYS N N 15 119.194 0.022 . 1 . . . . 175 CYS N . 18280 1 320 . 1 1 70 70 PRO C C 13 177.028 0.000 . 1 . . . . 176 PRO C . 18280 1 321 . 1 1 70 70 PRO CA C 13 63.950 0.000 . 1 . . . . 176 PRO CA . 18280 1 322 . 1 1 70 70 PRO CB C 13 32.111 0.000 . 1 . . . . 176 PRO CB . 18280 1 323 . 1 1 71 71 SER H H 1 8.616 0.001 . 1 . . . . 177 SER H . 18280 1 324 . 1 1 71 71 SER C C 13 175.144 0.000 . 1 . . . . 177 SER C . 18280 1 325 . 1 1 71 71 SER CA C 13 58.808 0.013 . 1 . . . . 177 SER CA . 18280 1 326 . 1 1 71 71 SER CB C 13 63.562 0.000 . 1 . . . . 177 SER CB . 18280 1 327 . 1 1 71 71 SER N N 15 116.160 0.005 . 1 . . . . 177 SER N . 18280 1 328 . 1 1 72 72 GLY H H 1 8.320 0.001 . 1 . . . . 178 GLY H . 18280 1 329 . 1 1 72 72 GLY C C 13 174.326 0.000 . 1 . . . . 178 GLY C . 18280 1 330 . 1 1 72 72 GLY CA C 13 45.413 0.026 . 1 . . . . 178 GLY CA . 18280 1 331 . 1 1 72 72 GLY N N 15 110.811 0.007 . 1 . . . . 178 GLY N . 18280 1 332 . 1 1 73 73 SER H H 1 8.234 0.003 . 1 . . . . 179 SER H . 18280 1 333 . 1 1 73 73 SER C C 13 174.354 0.000 . 1 . . . . 179 SER C . 18280 1 334 . 1 1 73 73 SER CA C 13 58.955 0.010 . 1 . . . . 179 SER CA . 18280 1 335 . 1 1 73 73 SER CB C 13 63.813 0.009 . 1 . . . . 179 SER CB . 18280 1 336 . 1 1 73 73 SER N N 15 115.745 0.005 . 1 . . . . 179 SER N . 18280 1 337 . 1 1 74 74 ASN H H 1 8.493 0.001 . 1 . . . . 180 ASN H . 18280 1 338 . 1 1 74 74 ASN C C 13 174.805 0.000 . 1 . . . . 180 ASN C . 18280 1 339 . 1 1 74 74 ASN CA C 13 53.677 0.035 . 1 . . . . 180 ASN CA . 18280 1 340 . 1 1 74 74 ASN CB C 13 38.680 0.024 . 1 . . . . 180 ASN CB . 18280 1 341 . 1 1 74 74 ASN N N 15 119.652 0.003 . 1 . . . . 180 ASN N . 18280 1 342 . 1 1 75 75 ILE H H 1 7.876 0.000 . 1 . . . . 181 ILE H . 18280 1 343 . 1 1 75 75 ILE C C 13 176.429 0.000 . 1 . . . . 181 ILE C . 18280 1 344 . 1 1 75 75 ILE CA C 13 61.453 0.005 . 1 . . . . 181 ILE CA . 18280 1 345 . 1 1 75 75 ILE CB C 13 38.628 0.000 . 1 . . . . 181 ILE CB . 18280 1 346 . 1 1 75 75 ILE N N 15 119.498 0.002 . 1 . . . . 181 ILE N . 18280 1 347 . 1 1 76 76 ILE H H 1 8.096 0.001 . 1 . . . . 182 ILE H . 18280 1 348 . 1 1 76 76 ILE C C 13 176.572 0.000 . 1 . . . . 182 ILE C . 18280 1 349 . 1 1 76 76 ILE CA C 13 61.953 0.009 . 1 . . . . 182 ILE CA . 18280 1 350 . 1 1 76 76 ILE CB C 13 38.346 0.000 . 1 . . . . 182 ILE CB . 18280 1 351 . 1 1 76 76 ILE N N 15 123.527 0.007 . 1 . . . . 182 ILE N . 18280 1 352 . 1 1 77 77 SER H H 1 8.109 0.002 . 1 . . . . 183 SER H . 18280 1 353 . 1 1 77 77 SER C C 13 174.648 0.000 . 1 . . . . 183 SER C . 18280 1 354 . 1 1 77 77 SER CA C 13 59.046 0.010 . 1 . . . . 183 SER CA . 18280 1 355 . 1 1 77 77 SER CB C 13 63.572 0.022 . 1 . . . . 183 SER CB . 18280 1 356 . 1 1 77 77 SER N N 15 117.596 0.020 . 1 . . . . 183 SER N . 18280 1 357 . 1 1 78 78 ASN H H 1 8.206 0.004 . 1 . . . . 184 ASN H . 18280 1 358 . 1 1 78 78 ASN C C 13 175.216 0.000 . 1 . . . . 184 ASN C . 18280 1 359 . 1 1 78 78 ASN CA C 13 53.596 0.017 . 1 . . . . 184 ASN CA . 18280 1 360 . 1 1 78 78 ASN CB C 13 38.566 0.021 . 1 . . . . 184 ASN CB . 18280 1 361 . 1 1 78 78 ASN N N 15 119.274 0.007 . 1 . . . . 184 ASN N . 18280 1 362 . 1 1 79 79 LEU H H 1 7.871 0.001 . 1 . . . . 185 LEU H . 18280 1 363 . 1 1 79 79 LEU C C 13 177.265 0.000 . 1 . . . . 185 LEU C . 18280 1 364 . 1 1 79 79 LEU CA C 13 56.030 0.024 . 1 . . . . 185 LEU CA . 18280 1 365 . 1 1 79 79 LEU CB C 13 42.318 0.012 . 1 . . . . 185 LEU CB . 18280 1 366 . 1 1 79 79 LEU N N 15 121.089 0.007 . 1 . . . . 185 LEU N . 18280 1 367 . 1 1 80 80 PHE H H 1 7.996 0.001 . 1 . . . . 186 PHE H . 18280 1 368 . 1 1 80 80 PHE C C 13 175.687 0.000 . 1 . . . . 186 PHE C . 18280 1 369 . 1 1 80 80 PHE CA C 13 57.915 0.019 . 1 . . . . 186 PHE CA . 18280 1 370 . 1 1 80 80 PHE CB C 13 38.693 0.044 . 1 . . . . 186 PHE CB . 18280 1 371 . 1 1 80 80 PHE N N 15 119.169 0.023 . 1 . . . . 186 PHE N . 18280 1 372 . 1 1 81 81 LYS H H 1 7.733 0.005 . 1 . . . . 187 LYS H . 18280 1 373 . 1 1 81 81 LYS CA C 13 56.215 0.000 . 1 . . . . 187 LYS CA . 18280 1 374 . 1 1 81 81 LYS CB C 13 33.443 0.000 . 1 . . . . 187 LYS CB . 18280 1 375 . 1 1 81 81 LYS N N 15 121.788 0.031 . 1 . . . . 187 LYS N . 18280 1 376 . 1 1 87 87 LYS C C 13 178.806 0.000 . 1 . . . . 193 LYS C . 18280 1 377 . 1 1 87 87 LYS CA C 13 57.359 0.000 . 1 . . . . 193 LYS CA . 18280 1 378 . 1 1 87 87 LYS CB C 13 32.152 0.000 . 1 . . . . 193 LYS CB . 18280 1 379 . 1 1 88 88 ILE H H 1 8.257 0.003 . 1 . . . . 194 ILE H . 18280 1 380 . 1 1 88 88 ILE C C 13 177.362 0.000 . 1 . . . . 194 ILE C . 18280 1 381 . 1 1 88 88 ILE CA C 13 66.338 0.001 . 1 . . . . 194 ILE CA . 18280 1 382 . 1 1 88 88 ILE CB C 13 38.041 0.008 . 1 . . . . 194 ILE CB . 18280 1 383 . 1 1 88 88 ILE N N 15 120.544 0.006 . 1 . . . . 194 ILE N . 18280 1 384 . 1 1 89 89 ASP H H 1 7.962 0.003 . 1 . . . . 195 ASP H . 18280 1 385 . 1 1 89 89 ASP C C 13 179.895 0.000 . 1 . . . . 195 ASP C . 18280 1 386 . 1 1 89 89 ASP CA C 13 58.473 0.018 . 1 . . . . 195 ASP CA . 18280 1 387 . 1 1 89 89 ASP CB C 13 40.147 0.025 . 1 . . . . 195 ASP CB . 18280 1 388 . 1 1 89 89 ASP N N 15 120.444 0.006 . 1 . . . . 195 ASP N . 18280 1 389 . 1 1 90 90 ASP H H 1 8.589 0.002 . 1 . . . . 196 ASP H . 18280 1 390 . 1 1 90 90 ASP C C 13 178.260 0.000 . 1 . . . . 196 ASP C . 18280 1 391 . 1 1 90 90 ASP CA C 13 57.385 0.031 . 1 . . . . 196 ASP CA . 18280 1 392 . 1 1 90 90 ASP CB C 13 39.965 0.001 . 1 . . . . 196 ASP CB . 18280 1 393 . 1 1 90 90 ASP N N 15 121.085 0.010 . 1 . . . . 196 ASP N . 18280 1 394 . 1 1 91 91 LEU H H 1 8.205 0.003 . 1 . . . . 197 LEU H . 18280 1 395 . 1 1 91 91 LEU C C 13 177.320 0.000 . 1 . . . . 197 LEU C . 18280 1 396 . 1 1 91 91 LEU CA C 13 58.521 0.019 . 1 . . . . 197 LEU CA . 18280 1 397 . 1 1 91 91 LEU CB C 13 41.224 0.012 . 1 . . . . 197 LEU CB . 18280 1 398 . 1 1 91 91 LEU N N 15 124.544 0.008 . 1 . . . . 197 LEU N . 18280 1 399 . 1 1 92 92 PHE H H 1 7.402 0.002 . 1 . . . . 198 PHE H . 18280 1 400 . 1 1 92 92 PHE C C 13 175.819 0.000 . 1 . . . . 198 PHE C . 18280 1 401 . 1 1 92 92 PHE CA C 13 62.363 0.006 . 1 . . . . 198 PHE CA . 18280 1 402 . 1 1 92 92 PHE CB C 13 39.260 0.017 . 1 . . . . 198 PHE CB . 18280 1 403 . 1 1 92 92 PHE N N 15 111.751 0.030 . 1 . . . . 198 PHE N . 18280 1 404 . 1 1 93 93 SER H H 1 8.071 0.001 . 1 . . . . 199 SER H . 18280 1 405 . 1 1 93 93 SER C C 13 175.238 0.000 . 1 . . . . 199 SER C . 18280 1 406 . 1 1 93 93 SER CA C 13 58.603 0.007 . 1 . . . . 199 SER CA . 18280 1 407 . 1 1 93 93 SER CB C 13 64.219 0.022 . 1 . . . . 199 SER CB . 18280 1 408 . 1 1 93 93 SER N N 15 110.471 0.006 . 1 . . . . 199 SER N . 18280 1 409 . 1 1 94 94 GLY H H 1 7.992 0.002 . 1 . . . . 200 GLY H . 18280 1 410 . 1 1 94 94 GLY C C 13 173.806 0.000 . 1 . . . . 200 GLY C . 18280 1 411 . 1 1 94 94 GLY CA C 13 47.046 0.020 . 1 . . . . 200 GLY CA . 18280 1 412 . 1 1 94 94 GLY N N 15 110.303 0.011 . 1 . . . . 200 GLY N . 18280 1 413 . 1 1 95 95 LYS H H 1 8.353 0.002 . 1 . . . . 201 LYS H . 18280 1 414 . 1 1 95 95 LYS C C 13 175.744 0.000 . 1 . . . . 201 LYS C . 18280 1 415 . 1 1 95 95 LYS CA C 13 55.646 0.000 . 1 . . . . 201 LYS CA . 18280 1 416 . 1 1 95 95 LYS CB C 13 33.778 0.007 . 1 . . . . 201 LYS CB . 18280 1 417 . 1 1 95 95 LYS N N 15 116.832 0.009 . 1 . . . . 201 LYS N . 18280 1 418 . 1 1 96 96 LEU H H 1 6.971 0.009 . 1 . . . . 202 LEU H . 18280 1 419 . 1 1 96 96 LEU C C 13 175.744 0.000 . 1 . . . . 202 LEU C . 18280 1 420 . 1 1 96 96 LEU CA C 13 55.660 0.031 . 1 . . . . 202 LEU CA . 18280 1 421 . 1 1 96 96 LEU CB C 13 42.815 0.000 . 1 . . . . 202 LEU CB . 18280 1 422 . 1 1 96 96 LEU N N 15 120.865 0.008 . 1 . . . . 202 LEU N . 18280 1 423 . 1 1 97 97 HIS H H 1 8.366 0.009 . 1 . . . . 203 HIS H . 18280 1 424 . 1 1 97 97 HIS C C 13 175.458 0.000 . 1 . . . . 203 HIS C . 18280 1 425 . 1 1 97 97 HIS CA C 13 55.423 0.000 . 1 . . . . 203 HIS CA . 18280 1 426 . 1 1 97 97 HIS CB C 13 30.812 0.000 . 1 . . . . 203 HIS CB . 18280 1 427 . 1 1 97 97 HIS N N 15 122.022 0.044 . 1 . . . . 203 HIS N . 18280 1 stop_ save_