################################### # 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 18359 _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' . . . 18359 1 2 '3D CBCA(CO)NH' . . . 18359 1 3 '3D HNCO' . . . 18359 1 4 '3D HNCACB' . . . 18359 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 14 14 PRO C C 13 177.309 0.000 . 1 . . . . 14 PRO CO . 18359 1 2 . 1 1 14 14 PRO CA C 13 63.671 0.000 . 1 . . . . 14 PRO CA . 18359 1 3 . 1 1 14 14 PRO CB C 13 32.107 0.000 . 1 . . . . 14 PRO CB . 18359 1 4 . 1 1 15 15 ARG H H 1 9.365 0.008 . 1 . . . . 15 ARG H . 18359 1 5 . 1 1 15 15 ARG C C 13 174.843 0.000 . 1 . . . . 15 ARG CO . 18359 1 6 . 1 1 15 15 ARG CA C 13 55.521 0.000 . 1 . . . . 15 ARG CA . 18359 1 7 . 1 1 15 15 ARG CB C 13 32.500 0.000 . 1 . . . . 15 ARG CB . 18359 1 8 . 1 1 15 15 ARG N N 15 123.453 0.021 . 1 . . . . 15 ARG N . 18359 1 9 . 1 1 16 16 ASN H H 1 8.291 0.005 . 1 . . . . 16 ASN H . 18359 1 10 . 1 1 16 16 ASN C C 13 174.065 0.000 . 1 . . . . 16 ASN CO . 18359 1 11 . 1 1 16 16 ASN CA C 13 54.198 0.005 . 1 . . . . 16 ASN CA . 18359 1 12 . 1 1 16 16 ASN CB C 13 37.111 0.020 . 1 . . . . 16 ASN CB . 18359 1 13 . 1 1 16 16 ASN N N 15 109.502 0.023 . 1 . . . . 16 ASN N . 18359 1 14 . 1 1 17 17 VAL H H 1 7.647 0.007 . 1 . . . . 17 VAL H . 18359 1 15 . 1 1 17 17 VAL C C 13 177.739 0.000 . 1 . . . . 17 VAL CO . 18359 1 16 . 1 1 17 17 VAL CA C 13 62.291 0.024 . 1 . . . . 17 VAL CA . 18359 1 17 . 1 1 17 17 VAL CB C 13 31.534 0.050 . 1 . . . . 17 VAL CB . 18359 1 18 . 1 1 17 17 VAL N N 15 118.335 0.056 . 1 . . . . 17 VAL N . 18359 1 19 . 1 1 18 18 GLY H H 1 8.602 0.003 . 1 . . . . 18 GLY H . 18359 1 20 . 1 1 18 18 GLY C C 13 170.346 0.000 . 1 . . . . 18 GLY CO . 18359 1 21 . 1 1 18 18 GLY CA C 13 44.602 0.047 . 1 . . . . 18 GLY CA . 18359 1 22 . 1 1 18 18 GLY N N 15 115.207 0.029 . 1 . . . . 18 GLY N . 18359 1 23 . 1 1 19 19 SER H H 1 8.055 0.006 . 1 . . . . 19 SER H . 18359 1 24 . 1 1 19 19 SER C C 13 173.070 0.000 . 1 . . . . 19 SER CO . 18359 1 25 . 1 1 19 19 SER CA C 13 56.925 0.001 . 1 . . . . 19 SER CA . 18359 1 26 . 1 1 19 19 SER CB C 13 66.007 0.001 . 1 . . . . 19 SER CB . 18359 1 27 . 1 1 19 19 SER N N 15 112.119 0.009 . 1 . . . . 19 SER N . 18359 1 28 . 1 1 20 20 PHE H H 1 8.868 0.004 . 1 . . . . 20 PHE H . 18359 1 29 . 1 1 20 20 PHE CA C 13 55.419 0.000 . 1 . . . . 20 PHE CA . 18359 1 30 . 1 1 20 20 PHE CB C 13 42.043 0.000 . 1 . . . . 20 PHE CB . 18359 1 31 . 1 1 20 20 PHE N N 15 120.589 0.014 . 1 . . . . 20 PHE N . 18359 1 32 . 1 1 23 23 ASN C C 13 175.394 0.000 . 1 . . . . 23 ASN CO . 18359 1 33 . 1 1 23 23 ASN CA C 13 53.290 0.008 . 1 . . . . 23 ASN CA . 18359 1 34 . 1 1 23 23 ASN CB C 13 38.344 0.026 . 1 . . . . 23 ASN CB . 18359 1 35 . 1 1 24 24 ASP H H 1 7.536 0.003 . 1 . . . . 24 ASP H . 18359 1 36 . 1 1 24 24 ASP C C 13 177.758 0.000 . 1 . . . . 24 ASP CO . 18359 1 37 . 1 1 24 24 ASP CA C 13 54.773 0.021 . 1 . . . . 24 ASP CA . 18359 1 38 . 1 1 24 24 ASP CB C 13 41.563 0.034 . 1 . . . . 24 ASP CB . 18359 1 39 . 1 1 24 24 ASP N N 15 122.460 0.033 . 1 . . . . 24 ASP N . 18359 1 40 . 1 1 25 25 GLU H H 1 9.061 0.007 . 1 . . . . 25 GLU H . 18359 1 41 . 1 1 25 25 GLU C C 13 175.740 0.000 . 1 . . . . 25 GLU CO . 18359 1 42 . 1 1 25 25 GLU CA C 13 58.351 0.010 . 1 . . . . 25 GLU CA . 18359 1 43 . 1 1 25 25 GLU CB C 13 29.504 0.032 . 1 . . . . 25 GLU CB . 18359 1 44 . 1 1 25 25 GLU N N 15 125.401 0.034 . 1 . . . . 25 GLU N . 18359 1 45 . 1 1 26 26 ASN H H 1 8.777 0.004 . 1 . . . . 26 ASN H . 18359 1 46 . 1 1 26 26 ASN C C 13 173.020 0.000 . 1 . . . . 26 ASN CO . 18359 1 47 . 1 1 26 26 ASN CA C 13 53.029 0.024 . 1 . . . . 26 ASN CA . 18359 1 48 . 1 1 26 26 ASN CB C 13 38.295 0.024 . 1 . . . . 26 ASN CB . 18359 1 49 . 1 1 26 26 ASN N N 15 115.871 0.015 . 1 . . . . 26 ASN N . 18359 1 50 . 1 1 27 27 VAL H H 1 7.384 0.003 . 1 . . . . 27 VAL H . 18359 1 51 . 1 1 27 27 VAL C C 13 176.931 0.000 . 1 . . . . 27 VAL CO . 18359 1 52 . 1 1 27 27 VAL CA C 13 59.990 0.017 . 1 . . . . 27 VAL CA . 18359 1 53 . 1 1 27 27 VAL CB C 13 35.216 0.012 . 1 . . . . 27 VAL CB . 18359 1 54 . 1 1 27 27 VAL N N 15 119.066 0.023 . 1 . . . . 27 VAL N . 18359 1 55 . 1 1 28 28 GLY H H 1 8.830 0.001 . 1 . . . . 28 GLY H . 18359 1 56 . 1 1 28 28 GLY C C 13 173.162 0.000 . 1 . . . . 28 GLY CO . 18359 1 57 . 1 1 28 28 GLY CA C 13 44.312 0.032 . 1 . . . . 28 GLY CA . 18359 1 58 . 1 1 28 28 GLY N N 15 112.422 0.014 . 1 . . . . 28 GLY N . 18359 1 59 . 1 1 29 29 SER H H 1 10.480 0.003 . 1 . . . . 29 SER H . 18359 1 60 . 1 1 29 29 SER C C 13 172.367 0.000 . 1 . . . . 29 SER CO . 18359 1 61 . 1 1 29 29 SER CA C 13 57.708 0.034 . 1 . . . . 29 SER CA . 18359 1 62 . 1 1 29 29 SER CB C 13 64.719 0.038 . 1 . . . . 29 SER CB . 18359 1 63 . 1 1 29 29 SER N N 15 121.082 0.014 . 1 . . . . 29 SER N . 18359 1 64 . 1 1 30 30 GLY H H 1 9.584 0.003 . 1 . . . . 30 GLY H . 18359 1 65 . 1 1 30 30 GLY C C 13 171.216 0.000 . 1 . . . . 30 GLY CO . 18359 1 66 . 1 1 30 30 GLY CA C 13 44.639 0.022 . 1 . . . . 30 GLY CA . 18359 1 67 . 1 1 30 30 GLY N N 15 113.109 0.034 . 1 . . . . 30 GLY N . 18359 1 68 . 1 1 31 31 MET H H 1 8.691 0.007 . 1 . . . . 31 MET H . 18359 1 69 . 1 1 31 31 MET C C 13 174.735 0.000 . 1 . . . . 31 MET CO . 18359 1 70 . 1 1 31 31 MET CA C 13 55.040 0.008 . 1 . . . . 31 MET CA . 18359 1 71 . 1 1 31 31 MET CB C 13 34.935 0.042 . 1 . . . . 31 MET CB . 18359 1 72 . 1 1 31 31 MET N N 15 125.232 0.028 . 1 . . . . 31 MET N . 18359 1 73 . 1 1 32 32 VAL H H 1 8.986 0.004 . 1 . . . . 32 VAL H . 18359 1 74 . 1 1 32 32 VAL C C 13 174.458 0.000 . 1 . . . . 32 VAL CO . 18359 1 75 . 1 1 32 32 VAL CA C 13 59.244 0.031 . 1 . . . . 32 VAL CA . 18359 1 76 . 1 1 32 32 VAL CB C 13 35.674 0.000 . 1 . . . . 32 VAL CB . 18359 1 77 . 1 1 32 32 VAL N N 15 119.319 0.014 . 1 . . . . 32 VAL N . 18359 1 78 . 1 1 33 33 GLY H H 1 8.534 0.008 . 1 . . . . 33 GLY H . 18359 1 79 . 1 1 33 33 GLY C C 13 172.385 0.000 . 1 . . . . 33 GLY CO . 18359 1 80 . 1 1 33 33 GLY CA C 13 44.991 0.020 . 1 . . . . 33 GLY CA . 18359 1 81 . 1 1 33 33 GLY N N 15 107.951 0.014 . 1 . . . . 33 GLY N . 18359 1 82 . 1 1 34 34 ALA H H 1 8.295 0.002 . 1 . . . . 34 ALA H . 18359 1 83 . 1 1 34 34 ALA CA C 13 49.736 0.000 . 1 . . . . 34 ALA CA . 18359 1 84 . 1 1 34 34 ALA CB C 13 20.242 0.000 . 1 . . . . 34 ALA CB . 18359 1 85 . 1 1 34 34 ALA N N 15 121.565 0.015 . 1 . . . . 34 ALA N . 18359 1 86 . 1 1 36 36 ALA C C 13 178.732 0.000 . 1 . . . . 36 ALA CO . 18359 1 87 . 1 1 36 36 ALA CA C 13 54.608 0.000 . 1 . . . . 36 ALA CA . 18359 1 88 . 1 1 36 36 ALA CB C 13 18.449 0.000 . 1 . . . . 36 ALA CB . 18359 1 89 . 1 1 37 37 CYS H H 1 7.595 0.008 . 1 . . . . 37 CYS H . 18359 1 90 . 1 1 37 37 CYS C C 13 175.062 0.000 . 1 . . . . 37 CYS CO . 18359 1 91 . 1 1 37 37 CYS CA C 13 57.555 0.002 . 1 . . . . 37 CYS CA . 18359 1 92 . 1 1 37 37 CYS CB C 13 28.785 0.053 . 1 . . . . 37 CYS CB . 18359 1 93 . 1 1 37 37 CYS N N 15 111.547 0.051 . 1 . . . . 37 CYS N . 18359 1 94 . 1 1 38 38 GLY H H 1 7.842 0.002 . 1 . . . . 38 GLY H . 18359 1 95 . 1 1 38 38 GLY C C 13 173.550 0.000 . 1 . . . . 38 GLY CO . 18359 1 96 . 1 1 38 38 GLY CA C 13 46.316 0.021 . 1 . . . . 38 GLY CA . 18359 1 97 . 1 1 38 38 GLY N N 15 109.148 0.039 . 1 . . . . 38 GLY N . 18359 1 98 . 1 1 39 39 VAL H H 1 7.151 0.005 . 1 . . . . 39 VAL H . 18359 1 99 . 1 1 39 39 VAL C C 13 175.099 0.000 . 1 . . . . 39 VAL CO . 18359 1 100 . 1 1 39 39 VAL CA C 13 60.928 0.026 . 1 . . . . 39 VAL CA . 18359 1 101 . 1 1 39 39 VAL CB C 13 35.047 0.034 . 1 . . . . 39 VAL CB . 18359 1 102 . 1 1 39 39 VAL N N 15 117.556 0.025 . 1 . . . . 39 VAL N . 18359 1 103 . 1 1 40 40 VAL H H 1 8.676 0.003 . 1 . . . . 40 VAL H . 18359 1 104 . 1 1 40 40 VAL C C 13 174.322 0.000 . 1 . . . . 40 VAL CO . 18359 1 105 . 1 1 40 40 VAL CA C 13 62.359 0.011 . 1 . . . . 40 VAL CA . 18359 1 106 . 1 1 40 40 VAL CB C 13 35.421 0.020 . 1 . . . . 40 VAL CB . 18359 1 107 . 1 1 40 40 VAL N N 15 126.942 0.036 . 1 . . . . 40 VAL N . 18359 1 108 . 1 1 41 41 MET H H 1 9.038 0.002 . 1 . . . . 41 MET H . 18359 1 109 . 1 1 41 41 MET C C 13 172.879 0.000 . 1 . . . . 41 MET CO . 18359 1 110 . 1 1 41 41 MET CA C 13 55.285 0.013 . 1 . . . . 41 MET CA . 18359 1 111 . 1 1 41 41 MET CB C 13 36.398 0.038 . 1 . . . . 41 MET CB . 18359 1 112 . 1 1 41 41 MET N N 15 127.408 0.031 . 1 . . . . 41 MET N . 18359 1 113 . 1 1 42 42 LYS H H 1 8.356 0.002 . 1 . . . . 42 LYS H . 18359 1 114 . 1 1 42 42 LYS C C 13 174.262 0.000 . 1 . . . . 42 LYS CO . 18359 1 115 . 1 1 42 42 LYS CA C 13 54.948 0.066 . 1 . . . . 42 LYS CA . 18359 1 116 . 1 1 42 42 LYS CB C 13 34.675 0.027 . 1 . . . . 42 LYS CB . 18359 1 117 . 1 1 42 42 LYS N N 15 125.827 0.032 . 1 . . . . 42 LYS N . 18359 1 118 . 1 1 43 43 LEU H H 1 8.987 0.002 . 1 . . . . 43 LEU H . 18359 1 119 . 1 1 43 43 LEU C C 13 175.429 0.000 . 1 . . . . 43 LEU CO . 18359 1 120 . 1 1 43 43 LEU CA C 13 53.686 0.028 . 1 . . . . 43 LEU CA . 18359 1 121 . 1 1 43 43 LEU CB C 13 46.356 0.022 . 1 . . . . 43 LEU CB . 18359 1 122 . 1 1 43 43 LEU N N 15 126.615 0.016 . 1 . . . . 43 LEU N . 18359 1 123 . 1 1 44 44 GLN H H 1 9.403 0.004 . 1 . . . . 44 GLN H . 18359 1 124 . 1 1 44 44 GLN C C 13 175.204 0.000 . 1 . . . . 44 GLN CO . 18359 1 125 . 1 1 44 44 GLN CA C 13 53.662 0.005 . 1 . . . . 44 GLN CA . 18359 1 126 . 1 1 44 44 GLN CB C 13 36.317 0.010 . 1 . . . . 44 GLN CB . 18359 1 127 . 1 1 44 44 GLN N N 15 120.445 0.021 . 1 . . . . 44 GLN N . 18359 1 128 . 1 1 45 45 ILE H H 1 9.261 0.004 . 1 . . . . 45 ILE H . 18359 1 129 . 1 1 45 45 ILE CA C 13 58.953 0.027 . 1 . . . . 45 ILE CA . 18359 1 130 . 1 1 45 45 ILE CB C 13 41.284 0.027 . 1 . . . . 45 ILE CB . 18359 1 131 . 1 1 45 45 ILE N N 15 112.886 0.011 . 1 . . . . 45 ILE N . 18359 1 132 . 1 1 46 46 LYS H H 1 8.317 0.002 . 1 . . . . 46 LYS H . 18359 1 133 . 1 1 46 46 LYS C C 13 174.638 0.000 . 1 . . . . 46 LYS CO . 18359 1 134 . 1 1 46 46 LYS CA C 13 54.866 0.010 . 1 . . . . 46 LYS CA . 18359 1 135 . 1 1 46 46 LYS CB C 13 35.102 0.031 . 1 . . . . 46 LYS CB . 18359 1 136 . 1 1 46 46 LYS N N 15 123.691 0.006 . 1 . . . . 46 LYS N . 18359 1 137 . 1 1 47 47 VAL H H 1 8.568 0.004 . 1 . . . . 47 VAL H . 18359 1 138 . 1 1 47 47 VAL C C 13 176.543 0.000 . 1 . . . . 47 VAL CO . 18359 1 139 . 1 1 47 47 VAL CA C 13 60.983 0.021 . 1 . . . . 47 VAL CA . 18359 1 140 . 1 1 47 47 VAL CB C 13 33.914 0.039 . 1 . . . . 47 VAL CB . 18359 1 141 . 1 1 47 47 VAL N N 15 128.545 0.030 . 1 . . . . 47 VAL N . 18359 1 142 . 1 1 48 48 ASN H H 1 8.942 0.004 . 1 . . . . 48 ASN H . 18359 1 143 . 1 1 48 48 ASN C C 13 177.122 0.000 . 1 . . . . 48 ASN CO . 18359 1 144 . 1 1 48 48 ASN CA C 13 51.299 0.023 . 1 . . . . 48 ASN CA . 18359 1 145 . 1 1 48 48 ASN CB C 13 38.817 0.035 . 1 . . . . 48 ASN CB . 18359 1 146 . 1 1 48 48 ASN N N 15 126.344 0.037 . 1 . . . . 48 ASN N . 18359 1 147 . 1 1 49 49 ASP H H 1 8.428 0.009 . 1 . . . . 49 ASP H . 18359 1 148 . 1 1 49 49 ASP C C 13 177.183 0.000 . 1 . . . . 49 ASP CO . 18359 1 149 . 1 1 49 49 ASP CA C 13 56.657 0.048 . 1 . . . . 49 ASP CA . 18359 1 150 . 1 1 49 49 ASP CB C 13 40.398 0.027 . 1 . . . . 49 ASP CB . 18359 1 151 . 1 1 49 49 ASP N N 15 116.974 0.007 . 1 . . . . 49 ASP N . 18359 1 152 . 1 1 50 50 GLU H H 1 7.841 0.003 . 1 . . . . 50 GLU H . 18359 1 153 . 1 1 50 50 GLU C C 13 176.590 0.000 . 1 . . . . 50 GLU CO . 18359 1 154 . 1 1 50 50 GLU CA C 13 56.002 0.013 . 1 . . . . 50 GLU CA . 18359 1 155 . 1 1 50 50 GLU CB C 13 29.951 0.033 . 1 . . . . 50 GLU CB . 18359 1 156 . 1 1 50 50 GLU N N 15 117.858 0.020 . 1 . . . . 50 GLU N . 18359 1 157 . 1 1 51 51 GLY H H 1 8.088 0.003 . 1 . . . . 51 GLY H . 18359 1 158 . 1 1 51 51 GLY C C 13 172.651 0.000 . 1 . . . . 51 GLY CO . 18359 1 159 . 1 1 51 51 GLY CA C 13 45.756 0.025 . 1 . . . . 51 GLY CA . 18359 1 160 . 1 1 51 51 GLY N N 15 107.825 0.018 . 1 . . . . 51 GLY N . 18359 1 161 . 1 1 52 52 ILE H H 1 7.552 0.003 . 1 . . . . 52 ILE H . 18359 1 162 . 1 1 52 52 ILE C C 13 175.396 0.000 . 1 . . . . 52 ILE CO . 18359 1 163 . 1 1 52 52 ILE CA C 13 57.776 0.027 . 1 . . . . 52 ILE CA . 18359 1 164 . 1 1 52 52 ILE CB C 13 37.701 0.027 . 1 . . . . 52 ILE CB . 18359 1 165 . 1 1 52 52 ILE N N 15 119.974 0.024 . 1 . . . . 52 ILE N . 18359 1 166 . 1 1 53 53 ILE H H 1 8.737 0.003 . 1 . . . . 53 ILE H . 18359 1 167 . 1 1 53 53 ILE C C 13 174.593 0.000 . 1 . . . . 53 ILE CO . 18359 1 168 . 1 1 53 53 ILE CA C 13 62.561 0.017 . 1 . . . . 53 ILE CA . 18359 1 169 . 1 1 53 53 ILE CB C 13 36.461 0.027 . 1 . . . . 53 ILE CB . 18359 1 170 . 1 1 53 53 ILE N N 15 127.156 0.023 . 1 . . . . 53 ILE N . 18359 1 171 . 1 1 54 54 GLU H H 1 8.937 0.003 . 1 . . . . 54 GLU H . 18359 1 172 . 1 1 54 54 GLU C C 13 176.033 0.000 . 1 . . . . 54 GLU CO . 18359 1 173 . 1 1 54 54 GLU CA C 13 56.283 0.014 . 1 . . . . 54 GLU CA . 18359 1 174 . 1 1 54 54 GLU CB C 13 32.004 0.063 . 1 . . . . 54 GLU CB . 18359 1 175 . 1 1 54 54 GLU N N 15 130.375 0.011 . 1 . . . . 54 GLU N . 18359 1 176 . 1 1 55 55 ASP H H 1 8.070 0.003 . 1 . . . . 55 ASP H . 18359 1 177 . 1 1 55 55 ASP C C 13 172.401 0.000 . 1 . . . . 55 ASP CO . 18359 1 178 . 1 1 55 55 ASP CA C 13 52.779 0.026 . 1 . . . . 55 ASP CA . 18359 1 179 . 1 1 55 55 ASP CB C 13 44.052 0.031 . 1 . . . . 55 ASP CB . 18359 1 180 . 1 1 55 55 ASP N N 15 116.048 0.024 . 1 . . . . 55 ASP N . 18359 1 181 . 1 1 56 56 ALA H H 1 8.980 0.002 . 1 . . . . 56 ALA H . 18359 1 182 . 1 1 56 56 ALA C C 13 174.856 0.000 . 1 . . . . 56 ALA CO . 18359 1 183 . 1 1 56 56 ALA CA C 13 52.173 0.017 . 1 . . . . 56 ALA CA . 18359 1 184 . 1 1 56 56 ALA CB C 13 22.842 0.036 . 1 . . . . 56 ALA CB . 18359 1 185 . 1 1 56 56 ALA N N 15 123.659 0.013 . 1 . . . . 56 ALA N . 18359 1 186 . 1 1 57 57 ARG H H 1 8.854 0.001 . 1 . . . . 57 ARG H . 18359 1 187 . 1 1 57 57 ARG C C 13 174.454 0.000 . 1 . . . . 57 ARG CO . 18359 1 188 . 1 1 57 57 ARG CA C 13 53.366 0.027 . 1 . . . . 57 ARG CA . 18359 1 189 . 1 1 57 57 ARG CB C 13 36.860 0.052 . 1 . . . . 57 ARG CB . 18359 1 190 . 1 1 57 57 ARG N N 15 118.014 0.022 . 1 . . . . 57 ARG N . 18359 1 191 . 1 1 58 58 PHE H H 1 8.442 0.003 . 1 . . . . 58 PHE H . 18359 1 192 . 1 1 58 58 PHE C C 13 172.707 0.000 . 1 . . . . 58 PHE CO . 18359 1 193 . 1 1 58 58 PHE CA C 13 56.147 0.006 . 1 . . . . 58 PHE CA . 18359 1 194 . 1 1 58 58 PHE CB C 13 43.574 0.024 . 1 . . . . 58 PHE CB . 18359 1 195 . 1 1 58 58 PHE N N 15 116.776 0.024 . 1 . . . . 58 PHE N . 18359 1 196 . 1 1 59 59 LYS H H 1 8.753 0.003 . 1 . . . . 59 LYS H . 18359 1 197 . 1 1 59 59 LYS C C 13 175.399 0.000 . 1 . . . . 59 LYS CO . 18359 1 198 . 1 1 59 59 LYS CA C 13 56.606 0.036 . 1 . . . . 59 LYS CA . 18359 1 199 . 1 1 59 59 LYS CB C 13 35.206 0.041 . 1 . . . . 59 LYS CB . 18359 1 200 . 1 1 59 59 LYS N N 15 119.855 0.028 . 1 . . . . 59 LYS N . 18359 1 201 . 1 1 60 60 THR H H 1 8.382 0.004 . 1 . . . . 60 THR H . 18359 1 202 . 1 1 60 60 THR C C 13 171.956 0.000 . 1 . . . . 60 THR CO . 18359 1 203 . 1 1 60 60 THR CA C 13 60.698 0.030 . 1 . . . . 60 THR CA . 18359 1 204 . 1 1 60 60 THR CB C 13 73.116 0.000 . 1 . . . . 60 THR CB . 18359 1 205 . 1 1 60 60 THR N N 15 123.703 0.016 . 1 . . . . 60 THR N . 18359 1 206 . 1 1 61 61 TYR H H 1 9.110 0.003 . 1 . . . . 61 TYR H . 18359 1 207 . 1 1 61 61 TYR C C 13 174.065 0.000 . 1 . . . . 61 TYR CO . 18359 1 208 . 1 1 61 61 TYR CA C 13 56.080 0.014 . 1 . . . . 61 TYR CA . 18359 1 209 . 1 1 61 61 TYR CB C 13 39.778 0.002 . 1 . . . . 61 TYR CB . 18359 1 210 . 1 1 61 61 TYR N N 15 127.070 0.025 . 1 . . . . 61 TYR N . 18359 1 211 . 1 1 62 62 GLY H H 1 8.128 0.007 . 1 . . . . 62 GLY H . 18359 1 212 . 1 1 62 62 GLY C C 13 171.327 0.000 . 1 . . . . 62 GLY CO . 18359 1 213 . 1 1 62 62 GLY CA C 13 45.662 0.014 . 1 . . . . 62 GLY CA . 18359 1 214 . 1 1 62 62 GLY N N 15 109.416 0.022 . 1 . . . . 62 GLY N . 18359 1 215 . 1 1 63 63 CYS H H 1 7.072 0.002 . 1 . . . . 63 CYS H . 18359 1 216 . 1 1 63 63 CYS CA C 13 58.005 0.000 . 1 . . . . 63 CYS CA . 18359 1 217 . 1 1 63 63 CYS CB C 13 31.071 0.000 . 1 . . . . 63 CYS CB . 18359 1 218 . 1 1 63 63 CYS N N 15 118.209 0.021 . 1 . . . . 63 CYS N . 18359 1 219 . 1 1 68 68 ALA C C 13 178.870 0.000 . 1 . . . . 68 ALA CO . 18359 1 220 . 1 1 68 68 ALA CA C 13 54.993 0.030 . 1 . . . . 68 ALA CA . 18359 1 221 . 1 1 68 68 ALA CB C 13 19.321 0.070 . 1 . . . . 68 ALA CB . 18359 1 222 . 1 1 69 69 SER H H 1 7.582 0.005 . 1 . . . . 69 SER H . 18359 1 223 . 1 1 69 69 SER C C 13 174.487 0.000 . 1 . . . . 69 SER CO . 18359 1 224 . 1 1 69 69 SER CA C 13 62.882 0.000 . 1 . . . . 69 SER CA . 18359 1 225 . 1 1 69 69 SER CB C 13 63.518 0.000 . 1 . . . . 69 SER CB . 18359 1 226 . 1 1 69 69 SER N N 15 112.059 0.038 . 1 . . . . 69 SER N . 18359 1 227 . 1 1 70 70 SER H H 1 7.049 0.003 . 1 . . . . 70 SER H . 18359 1 228 . 1 1 70 70 SER C C 13 174.415 0.000 . 1 . . . . 70 SER CO . 18359 1 229 . 1 1 70 70 SER CA C 13 61.216 0.009 . 1 . . . . 70 SER CA . 18359 1 230 . 1 1 70 70 SER CB C 13 62.414 0.045 . 1 . . . . 70 SER CB . 18359 1 231 . 1 1 70 70 SER N N 15 115.120 0.021 . 1 . . . . 70 SER N . 18359 1 232 . 1 1 71 71 SER H H 1 7.635 0.003 . 1 . . . . 71 SER H . 18359 1 233 . 1 1 71 71 SER C C 13 176.862 0.000 . 1 . . . . 71 SER CO . 18359 1 234 . 1 1 71 71 SER CA C 13 60.743 0.007 . 1 . . . . 71 SER CA . 18359 1 235 . 1 1 71 71 SER CB C 13 62.066 0.002 . 1 . . . . 71 SER CB . 18359 1 236 . 1 1 71 71 SER N N 15 117.577 0.030 . 1 . . . . 71 SER N . 18359 1 237 . 1 1 72 72 LEU H H 1 7.887 0.004 . 1 . . . . 72 LEU H . 18359 1 238 . 1 1 72 72 LEU C C 13 178.799 0.000 . 1 . . . . 72 LEU CO . 18359 1 239 . 1 1 72 72 LEU CA C 13 58.109 0.015 . 1 . . . . 72 LEU CA . 18359 1 240 . 1 1 72 72 LEU CB C 13 42.085 0.029 . 1 . . . . 72 LEU CB . 18359 1 241 . 1 1 72 72 LEU N N 15 118.568 0.011 . 1 . . . . 72 LEU N . 18359 1 242 . 1 1 73 73 VAL H H 1 7.483 0.003 . 1 . . . . 73 VAL H . 18359 1 243 . 1 1 73 73 VAL C C 13 177.339 0.000 . 1 . . . . 73 VAL CO . 18359 1 244 . 1 1 73 73 VAL CA C 13 67.109 0.044 . 1 . . . . 73 VAL CA . 18359 1 245 . 1 1 73 73 VAL CB C 13 31.295 0.022 . 1 . . . . 73 VAL CB . 18359 1 246 . 1 1 73 73 VAL N N 15 113.978 0.016 . 1 . . . . 73 VAL N . 18359 1 247 . 1 1 74 74 THR H H 1 7.751 0.004 . 1 . . . . 74 THR H . 18359 1 248 . 1 1 74 74 THR C C 13 175.173 0.000 . 1 . . . . 74 THR CO . 18359 1 249 . 1 1 74 74 THR CA C 13 65.904 0.013 . 1 . . . . 74 THR CA . 18359 1 250 . 1 1 74 74 THR CB C 13 68.448 0.047 . 1 . . . . 74 THR CB . 18359 1 251 . 1 1 74 74 THR N N 15 109.442 0.012 . 1 . . . . 74 THR N . 18359 1 252 . 1 1 75 75 GLU H H 1 7.351 0.004 . 1 . . . . 75 GLU H . 18359 1 253 . 1 1 75 75 GLU C C 13 179.657 0.000 . 1 . . . . 75 GLU CO . 18359 1 254 . 1 1 75 75 GLU CA C 13 58.381 0.013 . 1 . . . . 75 GLU CA . 18359 1 255 . 1 1 75 75 GLU CB C 13 30.349 0.034 . 1 . . . . 75 GLU CB . 18359 1 256 . 1 1 75 75 GLU N N 15 117.579 0.037 . 1 . . . . 75 GLU N . 18359 1 257 . 1 1 76 76 TRP H H 1 8.695 0.000 . 1 . . . . 76 TRP H . 18359 1 258 . 1 1 76 76 TRP HE1 H 1 10.296 0.000 . 1 . . . . 76 TRP HE1 . 18359 1 259 . 1 1 76 76 TRP C C 13 178.445 0.000 . 1 . . . . 76 TRP CO . 18359 1 260 . 1 1 76 76 TRP CA C 13 59.162 0.006 . 1 . . . . 76 TRP CA . 18359 1 261 . 1 1 76 76 TRP CB C 13 30.159 0.000 . 1 . . . . 76 TRP CB . 18359 1 262 . 1 1 76 76 TRP N N 15 120.175 0.023 . 1 . . . . 76 TRP N . 18359 1 263 . 1 1 76 76 TRP NE1 N 15 129.124 0.000 . 1 . . . . 76 TRP NE1 . 18359 1 264 . 1 1 77 77 VAL H H 1 8.134 0.004 . 1 . . . . 77 VAL H . 18359 1 265 . 1 1 77 77 VAL C C 13 175.485 0.000 . 1 . . . . 77 VAL CO . 18359 1 266 . 1 1 77 77 VAL CA C 13 63.762 0.018 . 1 . . . . 77 VAL CA . 18359 1 267 . 1 1 77 77 VAL CB C 13 31.633 0.024 . 1 . . . . 77 VAL CB . 18359 1 268 . 1 1 77 77 VAL N N 15 107.694 0.007 . 1 . . . . 77 VAL N . 18359 1 269 . 1 1 78 78 LYS H H 1 6.725 0.000 . 1 . . . . 78 LYS H . 18359 1 270 . 1 1 78 78 LYS C C 13 177.766 0.000 . 1 . . . . 78 LYS CO . 18359 1 271 . 1 1 78 78 LYS CA C 13 59.141 0.015 . 1 . . . . 78 LYS CA . 18359 1 272 . 1 1 78 78 LYS CB C 13 32.150 0.053 . 1 . . . . 78 LYS CB . 18359 1 273 . 1 1 78 78 LYS N N 15 118.127 0.017 . 1 . . . . 78 LYS N . 18359 1 274 . 1 1 79 79 GLY H H 1 9.458 0.004 . 1 . . . . 79 GLY H . 18359 1 275 . 1 1 79 79 GLY C C 13 174.164 0.000 . 1 . . . . 79 GLY CO . 18359 1 276 . 1 1 79 79 GLY CA C 13 45.232 0.031 . 1 . . . . 79 GLY CA . 18359 1 277 . 1 1 79 79 GLY N N 15 112.553 0.017 . 1 . . . . 79 GLY N . 18359 1 278 . 1 1 80 80 LYS H H 1 7.934 0.003 . 1 . . . . 80 LYS H . 18359 1 279 . 1 1 80 80 LYS C C 13 176.113 0.000 . 1 . . . . 80 LYS CO . 18359 1 280 . 1 1 80 80 LYS CA C 13 54.725 0.025 . 1 . . . . 80 LYS CA . 18359 1 281 . 1 1 80 80 LYS CB C 13 33.890 0.046 . 1 . . . . 80 LYS CB . 18359 1 282 . 1 1 80 80 LYS N N 15 120.301 0.030 . 1 . . . . 80 LYS N . 18359 1 283 . 1 1 81 81 SER H H 1 9.013 0.005 . 1 . . . . 81 SER H . 18359 1 284 . 1 1 81 81 SER C C 13 175.433 0.000 . 1 . . . . 81 SER CO . 18359 1 285 . 1 1 81 81 SER CA C 13 57.133 0.011 . 1 . . . . 81 SER CA . 18359 1 286 . 1 1 81 81 SER CB C 13 65.079 0.023 . 1 . . . . 81 SER CB . 18359 1 287 . 1 1 81 81 SER N N 15 116.223 0.021 . 1 . . . . 81 SER N . 18359 1 288 . 1 1 82 82 LEU H H 1 8.048 0.003 . 1 . . . . 82 LEU H . 18359 1 289 . 1 1 82 82 LEU C C 13 178.980 0.000 . 1 . . . . 82 LEU CO . 18359 1 290 . 1 1 82 82 LEU CA C 13 58.787 0.017 . 1 . . . . 82 LEU CA . 18359 1 291 . 1 1 82 82 LEU CB C 13 41.119 0.075 . 1 . . . . 82 LEU CB . 18359 1 292 . 1 1 82 82 LEU N N 15 118.593 0.032 . 1 . . . . 82 LEU N . 18359 1 293 . 1 1 83 83 ASP H H 1 8.152 0.005 . 1 . . . . 83 ASP H . 18359 1 294 . 1 1 83 83 ASP C C 13 179.224 0.000 . 1 . . . . 83 ASP CO . 18359 1 295 . 1 1 83 83 ASP CA C 13 57.340 0.020 . 1 . . . . 83 ASP CA . 18359 1 296 . 1 1 83 83 ASP CB C 13 40.557 0.028 . 1 . . . . 83 ASP CB . 18359 1 297 . 1 1 83 83 ASP N N 15 116.042 0.023 . 1 . . . . 83 ASP N . 18359 1 298 . 1 1 84 84 GLU H H 1 7.818 0.005 . 1 . . . . 84 GLU H . 18359 1 299 . 1 1 84 84 GLU C C 13 180.043 0.000 . 1 . . . . 84 GLU CO . 18359 1 300 . 1 1 84 84 GLU CA C 13 58.912 0.012 . 1 . . . . 84 GLU CA . 18359 1 301 . 1 1 84 84 GLU CB C 13 30.523 0.032 . 1 . . . . 84 GLU CB . 18359 1 302 . 1 1 84 84 GLU N N 15 120.796 0.028 . 1 . . . . 84 GLU N . 18359 1 303 . 1 1 85 85 ALA H H 1 8.685 0.003 . 1 . . . . 85 ALA H . 18359 1 304 . 1 1 85 85 ALA C C 13 178.365 0.000 . 1 . . . . 85 ALA CO . 18359 1 305 . 1 1 85 85 ALA CA C 13 54.667 0.018 . 1 . . . . 85 ALA CA . 18359 1 306 . 1 1 85 85 ALA CB C 13 18.648 0.045 . 1 . . . . 85 ALA CB . 18359 1 307 . 1 1 85 85 ALA N N 15 122.645 0.013 . 1 . . . . 85 ALA N . 18359 1 308 . 1 1 86 86 GLN H H 1 7.861 0.007 . 1 . . . . 86 GLN H . 18359 1 309 . 1 1 86 86 GLN C C 13 174.783 0.000 . 1 . . . . 86 GLN CO . 18359 1 310 . 1 1 86 86 GLN CA C 13 57.499 0.003 . 1 . . . . 86 GLN CA . 18359 1 311 . 1 1 86 86 GLN CB C 13 28.736 0.035 . 1 . . . . 86 GLN CB . 18359 1 312 . 1 1 86 86 GLN N N 15 115.246 0.047 . 1 . . . . 86 GLN N . 18359 1 313 . 1 1 87 87 ALA H H 1 7.140 0.001 . 1 . . . . 87 ALA H . 18359 1 314 . 1 1 87 87 ALA C C 13 177.734 0.000 . 1 . . . . 87 ALA CO . 18359 1 315 . 1 1 87 87 ALA CA C 13 51.870 0.015 . 1 . . . . 87 ALA CA . 18359 1 316 . 1 1 87 87 ALA CB C 13 18.924 0.038 . 1 . . . . 87 ALA CB . 18359 1 317 . 1 1 87 87 ALA N N 15 117.980 0.012 . 1 . . . . 87 ALA N . 18359 1 318 . 1 1 88 88 ILE H H 1 7.116 0.004 . 1 . . . . 88 ILE H . 18359 1 319 . 1 1 88 88 ILE C C 13 174.302 0.000 . 1 . . . . 88 ILE CO . 18359 1 320 . 1 1 88 88 ILE CA C 13 62.823 0.024 . 1 . . . . 88 ILE CA . 18359 1 321 . 1 1 88 88 ILE CB C 13 37.839 0.028 . 1 . . . . 88 ILE CB . 18359 1 322 . 1 1 88 88 ILE N N 15 120.621 0.024 . 1 . . . . 88 ILE N . 18359 1 323 . 1 1 89 89 LYS H H 1 8.422 0.003 . 1 . . . . 89 LYS H . 18359 1 324 . 1 1 89 89 LYS C C 13 179.148 0.000 . 1 . . . . 89 LYS CO . 18359 1 325 . 1 1 89 89 LYS CA C 13 53.924 0.015 . 1 . . . . 89 LYS CA . 18359 1 326 . 1 1 89 89 LYS CB C 13 35.744 0.030 . 1 . . . . 89 LYS CB . 18359 1 327 . 1 1 89 89 LYS N N 15 124.986 0.025 . 1 . . . . 89 LYS N . 18359 1 328 . 1 1 90 90 ASN H H 1 9.480 0.002 . 1 . . . . 90 ASN H . 18359 1 329 . 1 1 90 90 ASN C C 13 176.030 0.000 . 1 . . . . 90 ASN CO . 18359 1 330 . 1 1 90 90 ASN CA C 13 57.307 0.026 . 1 . . . . 90 ASN CA . 18359 1 331 . 1 1 90 90 ASN CB C 13 38.148 0.032 . 1 . . . . 90 ASN CB . 18359 1 332 . 1 1 90 90 ASN N N 15 121.369 0.033 . 1 . . . . 90 ASN N . 18359 1 333 . 1 1 91 91 THR H H 1 7.239 0.003 . 1 . . . . 91 THR H . 18359 1 334 . 1 1 91 91 THR C C 13 176.715 0.000 . 1 . . . . 91 THR CO . 18359 1 335 . 1 1 91 91 THR CA C 13 64.626 0.023 . 1 . . . . 91 THR CA . 18359 1 336 . 1 1 91 91 THR CB C 13 67.464 0.017 . 1 . . . . 91 THR CB . 18359 1 337 . 1 1 91 91 THR N N 15 110.097 0.016 . 1 . . . . 91 THR N . 18359 1 338 . 1 1 92 92 ASP H H 1 7.137 0.001 . 1 . . . . 92 ASP H . 18359 1 339 . 1 1 92 92 ASP C C 13 178.865 0.000 . 1 . . . . 92 ASP CO . 18359 1 340 . 1 1 92 92 ASP CA C 13 57.525 0.023 . 1 . . . . 92 ASP CA . 18359 1 341 . 1 1 92 92 ASP CB C 13 40.803 0.029 . 1 . . . . 92 ASP CB . 18359 1 342 . 1 1 92 92 ASP N N 15 121.998 0.011 . 1 . . . . 92 ASP N . 18359 1 343 . 1 1 93 93 ILE H H 1 7.157 0.002 . 1 . . . . 93 ILE H . 18359 1 344 . 1 1 93 93 ILE C C 13 176.562 0.000 . 1 . . . . 93 ILE CO . 18359 1 345 . 1 1 93 93 ILE CA C 13 64.476 0.052 . 1 . . . . 93 ILE CA . 18359 1 346 . 1 1 93 93 ILE CB C 13 39.272 0.010 . 1 . . . . 93 ILE CB . 18359 1 347 . 1 1 93 93 ILE N N 15 120.624 0.036 . 1 . . . . 93 ILE N . 18359 1 348 . 1 1 94 94 ALA H H 1 8.224 0.002 . 1 . . . . 94 ALA H . 18359 1 349 . 1 1 94 94 ALA C C 13 179.859 0.000 . 1 . . . . 94 ALA CO . 18359 1 350 . 1 1 94 94 ALA CA C 13 55.412 0.010 . 1 . . . . 94 ALA CA . 18359 1 351 . 1 1 94 94 ALA CB C 13 18.580 0.023 . 1 . . . . 94 ALA CB . 18359 1 352 . 1 1 94 94 ALA N N 15 118.705 0.017 . 1 . . . . 94 ALA N . 18359 1 353 . 1 1 95 95 GLU H H 1 8.075 0.002 . 1 . . . . 95 GLU H . 18359 1 354 . 1 1 95 95 GLU C C 13 179.584 0.000 . 1 . . . . 95 GLU CO . 18359 1 355 . 1 1 95 95 GLU CA C 13 59.020 0.013 . 1 . . . . 95 GLU CA . 18359 1 356 . 1 1 95 95 GLU CB C 13 29.709 0.025 . 1 . . . . 95 GLU CB . 18359 1 357 . 1 1 95 95 GLU N N 15 116.449 0.021 . 1 . . . . 95 GLU N . 18359 1 358 . 1 1 96 96 GLU H H 1 7.729 0.004 . 1 . . . . 96 GLU H . 18359 1 359 . 1 1 96 96 GLU C C 13 177.864 0.000 . 1 . . . . 96 GLU CO . 18359 1 360 . 1 1 96 96 GLU CA C 13 58.982 0.013 . 1 . . . . 96 GLU CA . 18359 1 361 . 1 1 96 96 GLU CB C 13 29.214 0.043 . 1 . . . . 96 GLU CB . 18359 1 362 . 1 1 96 96 GLU N N 15 120.547 0.018 . 1 . . . . 96 GLU N . 18359 1 363 . 1 1 97 97 LEU H H 1 7.339 0.003 . 1 . . . . 97 LEU H . 18359 1 364 . 1 1 97 97 LEU C C 13 175.293 0.000 . 1 . . . . 97 LEU CO . 18359 1 365 . 1 1 97 97 LEU CA C 13 54.252 0.030 . 1 . . . . 97 LEU CA . 18359 1 366 . 1 1 97 97 LEU CB C 13 41.819 0.065 . 1 . . . . 97 LEU CB . 18359 1 367 . 1 1 97 97 LEU N N 15 112.649 0.024 . 1 . . . . 97 LEU N . 18359 1 368 . 1 1 98 98 GLU H H 1 7.789 0.003 . 1 . . . . 98 GLU H . 18359 1 369 . 1 1 98 98 GLU C C 13 176.541 0.000 . 1 . . . . 98 GLU CO . 18359 1 370 . 1 1 98 98 GLU CA C 13 56.578 0.029 . 1 . . . . 98 GLU CA . 18359 1 371 . 1 1 98 98 GLU CB C 13 27.117 0.018 . 1 . . . . 98 GLU CB . 18359 1 372 . 1 1 98 98 GLU N N 15 119.029 0.079 . 1 . . . . 98 GLU N . 18359 1 373 . 1 1 99 99 LEU H H 1 7.879 0.005 . 1 . . . . 99 LEU H . 18359 1 374 . 1 1 99 99 LEU CA C 13 53.162 0.000 . 1 . . . . 99 LEU CA . 18359 1 375 . 1 1 99 99 LEU CB C 13 41.620 0.000 . 1 . . . . 99 LEU CB . 18359 1 376 . 1 1 99 99 LEU N N 15 116.951 0.021 . 1 . . . . 99 LEU N . 18359 1 377 . 1 1 101 101 PRO C C 13 179.606 0.000 . 1 . . . . 101 PRO CO . 18359 1 378 . 1 1 101 101 PRO CA C 13 66.240 0.000 . 1 . . . . 101 PRO CA . 18359 1 379 . 1 1 101 101 PRO CB C 13 32.057 0.000 . 1 . . . . 101 PRO CB . 18359 1 380 . 1 1 102 102 VAL H H 1 7.668 0.011 . 1 . . . . 102 VAL H . 18359 1 381 . 1 1 102 102 VAL C C 13 175.932 0.000 . 1 . . . . 102 VAL CO . 18359 1 382 . 1 1 102 102 VAL CA C 13 63.505 0.012 . 1 . . . . 102 VAL CA . 18359 1 383 . 1 1 102 102 VAL CB C 13 31.508 0.018 . 1 . . . . 102 VAL CB . 18359 1 384 . 1 1 102 102 VAL N N 15 110.552 0.028 . 1 . . . . 102 VAL N . 18359 1 385 . 1 1 103 103 LYS H H 1 8.146 0.003 . 1 . . . . 103 LYS H . 18359 1 386 . 1 1 103 103 LYS C C 13 177.864 0.000 . 1 . . . . 103 LYS CO . 18359 1 387 . 1 1 103 103 LYS CA C 13 53.193 0.026 . 1 . . . . 103 LYS CA . 18359 1 388 . 1 1 103 103 LYS CB C 13 33.950 0.021 . 1 . . . . 103 LYS CB . 18359 1 389 . 1 1 103 103 LYS N N 15 116.085 0.025 . 1 . . . . 103 LYS N . 18359 1 390 . 1 1 104 104 ILE H H 1 7.625 0.003 . 1 . . . . 104 ILE H . 18359 1 391 . 1 1 104 104 ILE CA C 13 63.674 0.000 . 1 . . . . 104 ILE CA . 18359 1 392 . 1 1 104 104 ILE CB C 13 37.538 0.000 . 1 . . . . 104 ILE CB . 18359 1 393 . 1 1 104 104 ILE N N 15 122.860 0.033 . 1 . . . . 104 ILE N . 18359 1 394 . 1 1 105 105 HIS C C 13 176.611 0.000 . 1 . . . . 105 HIS CO . 18359 1 395 . 1 1 105 105 HIS CA C 13 59.499 0.000 . 1 . . . . 105 HIS CA . 18359 1 396 . 1 1 105 105 HIS CB C 13 29.182 0.000 . 1 . . . . 105 HIS CB . 18359 1 397 . 1 1 106 106 CYS H H 1 7.380 0.001 . 1 . . . . 106 CYS H . 18359 1 398 . 1 1 106 106 CYS C C 13 175.500 0.000 . 1 . . . . 106 CYS CO . 18359 1 399 . 1 1 106 106 CYS CA C 13 63.776 0.067 . 1 . . . . 106 CYS CA . 18359 1 400 . 1 1 106 106 CYS CB C 13 27.522 0.048 . 1 . . . . 106 CYS CB . 18359 1 401 . 1 1 106 106 CYS N N 15 118.686 0.011 . 1 . . . . 106 CYS N . 18359 1 402 . 1 1 107 107 SER H H 1 7.396 0.003 . 1 . . . . 107 SER H . 18359 1 403 . 1 1 107 107 SER C C 13 174.494 0.000 . 1 . . . . 107 SER CO . 18359 1 404 . 1 1 107 107 SER CA C 13 61.115 0.014 . 1 . . . . 107 SER CA . 18359 1 405 . 1 1 107 107 SER CB C 13 63.269 0.049 . 1 . . . . 107 SER CB . 18359 1 406 . 1 1 107 107 SER N N 15 113.177 0.036 . 1 . . . . 107 SER N . 18359 1 407 . 1 1 108 108 ILE H H 1 6.897 0.002 . 1 . . . . 108 ILE H . 18359 1 408 . 1 1 108 108 ILE C C 13 177.222 0.000 . 1 . . . . 108 ILE CO . 18359 1 409 . 1 1 108 108 ILE CA C 13 65.061 0.000 . 1 . . . . 108 ILE CA . 18359 1 410 . 1 1 108 108 ILE CB C 13 38.551 0.056 . 1 . . . . 108 ILE CB . 18359 1 411 . 1 1 108 108 ILE N N 15 126.469 0.018 . 1 . . . . 108 ILE N . 18359 1 412 . 1 1 109 109 LEU H H 1 8.064 0.005 . 1 . . . . 109 LEU H . 18359 1 413 . 1 1 109 109 LEU C C 13 177.624 0.000 . 1 . . . . 109 LEU CO . 18359 1 414 . 1 1 109 109 LEU CA C 13 57.792 0.046 . 1 . . . . 109 LEU CA . 18359 1 415 . 1 1 109 109 LEU CB C 13 41.338 0.058 . 1 . . . . 109 LEU CB . 18359 1 416 . 1 1 109 109 LEU N N 15 118.744 0.043 . 1 . . . . 109 LEU N . 18359 1 417 . 1 1 110 110 ALA H H 1 7.176 0.003 . 1 . . . . 110 ALA H . 18359 1 418 . 1 1 110 110 ALA C C 13 178.281 0.000 . 1 . . . . 110 ALA CO . 18359 1 419 . 1 1 110 110 ALA CA C 13 55.402 0.014 . 1 . . . . 110 ALA CA . 18359 1 420 . 1 1 110 110 ALA CB C 13 17.945 0.047 . 1 . . . . 110 ALA CB . 18359 1 421 . 1 1 110 110 ALA N N 15 118.346 0.032 . 1 . . . . 110 ALA N . 18359 1 422 . 1 1 111 111 GLU H H 1 7.368 0.003 . 1 . . . . 111 GLU H . 18359 1 423 . 1 1 111 111 GLU C C 13 177.876 0.000 . 1 . . . . 111 GLU CO . 18359 1 424 . 1 1 111 111 GLU CA C 13 59.644 0.028 . 1 . . . . 111 GLU CA . 18359 1 425 . 1 1 111 111 GLU CB C 13 29.302 0.032 . 1 . . . . 111 GLU CB . 18359 1 426 . 1 1 111 111 GLU N N 15 117.833 0.016 . 1 . . . . 111 GLU N . 18359 1 427 . 1 1 112 112 ASP H H 1 8.650 0.005 . 1 . . . . 112 ASP H . 18359 1 428 . 1 1 112 112 ASP C C 13 179.827 0.000 . 1 . . . . 112 ASP CO . 18359 1 429 . 1 1 112 112 ASP CA C 13 57.378 0.024 . 1 . . . . 112 ASP CA . 18359 1 430 . 1 1 112 112 ASP CB C 13 40.002 0.041 . 1 . . . . 112 ASP CB . 18359 1 431 . 1 1 112 112 ASP N N 15 119.555 0.020 . 1 . . . . 112 ASP N . 18359 1 432 . 1 1 113 113 ALA H H 1 9.041 0.006 . 1 . . . . 113 ALA H . 18359 1 433 . 1 1 113 113 ALA C C 13 179.320 0.000 . 1 . . . . 113 ALA CO . 18359 1 434 . 1 1 113 113 ALA CA C 13 55.747 0.039 . 1 . . . . 113 ALA CA . 18359 1 435 . 1 1 113 113 ALA CB C 13 17.961 0.048 . 1 . . . . 113 ALA CB . 18359 1 436 . 1 1 113 113 ALA N N 15 124.314 0.028 . 1 . . . . 113 ALA N . 18359 1 437 . 1 1 114 114 ILE H H 1 7.873 0.005 . 1 . . . . 114 ILE H . 18359 1 438 . 1 1 114 114 ILE C C 13 177.767 0.000 . 1 . . . . 114 ILE CO . 18359 1 439 . 1 1 114 114 ILE CA C 13 63.112 0.054 . 1 . . . . 114 ILE CA . 18359 1 440 . 1 1 114 114 ILE CB C 13 37.409 0.019 . 1 . . . . 114 ILE CB . 18359 1 441 . 1 1 114 114 ILE N N 15 117.996 0.034 . 1 . . . . 114 ILE N . 18359 1 442 . 1 1 115 115 LYS H H 1 8.002 0.005 . 1 . . . . 115 LYS H . 18359 1 443 . 1 1 115 115 LYS C C 13 179.941 0.000 . 1 . . . . 115 LYS CO . 18359 1 444 . 1 1 115 115 LYS CA C 13 61.033 0.022 . 1 . . . . 115 LYS CA . 18359 1 445 . 1 1 115 115 LYS CB C 13 32.225 0.079 . 1 . . . . 115 LYS CB . 18359 1 446 . 1 1 115 115 LYS N N 15 120.059 0.023 . 1 . . . . 115 LYS N . 18359 1 447 . 1 1 116 116 ALA H H 1 8.594 0.003 . 1 . . . . 116 ALA H . 18359 1 448 . 1 1 116 116 ALA C C 13 180.020 0.000 . 1 . . . . 116 ALA CO . 18359 1 449 . 1 1 116 116 ALA CA C 13 54.826 0.010 . 1 . . . . 116 ALA CA . 18359 1 450 . 1 1 116 116 ALA CB C 13 17.962 0.030 . 1 . . . . 116 ALA CB . 18359 1 451 . 1 1 116 116 ALA N N 15 122.908 0.033 . 1 . . . . 116 ALA N . 18359 1 452 . 1 1 117 117 ALA H H 1 8.422 0.004 . 1 . . . . 117 ALA H . 18359 1 453 . 1 1 117 117 ALA C C 13 179.690 0.000 . 1 . . . . 117 ALA CO . 18359 1 454 . 1 1 117 117 ALA CA C 13 55.434 0.009 . 1 . . . . 117 ALA CA . 18359 1 455 . 1 1 117 117 ALA CB C 13 17.944 0.055 . 1 . . . . 117 ALA CB . 18359 1 456 . 1 1 117 117 ALA N N 15 124.702 0.024 . 1 . . . . 117 ALA N . 18359 1 457 . 1 1 118 118 ILE H H 1 8.246 0.003 . 1 . . . . 118 ILE H . 18359 1 458 . 1 1 118 118 ILE C C 13 177.416 0.000 . 1 . . . . 118 ILE CO . 18359 1 459 . 1 1 118 118 ILE CA C 13 66.259 0.044 . 1 . . . . 118 ILE CA . 18359 1 460 . 1 1 118 118 ILE CB C 13 38.887 0.031 . 1 . . . . 118 ILE CB . 18359 1 461 . 1 1 118 118 ILE N N 15 118.771 0.027 . 1 . . . . 118 ILE N . 18359 1 462 . 1 1 119 119 ALA H H 1 8.148 0.002 . 1 . . . . 119 ALA H . 18359 1 463 . 1 1 119 119 ALA C C 13 180.757 0.000 . 1 . . . . 119 ALA CO . 18359 1 464 . 1 1 119 119 ALA CA C 13 55.298 0.021 . 1 . . . . 119 ALA CA . 18359 1 465 . 1 1 119 119 ALA CB C 13 17.898 0.036 . 1 . . . . 119 ALA CB . 18359 1 466 . 1 1 119 119 ALA N N 15 121.522 0.027 . 1 . . . . 119 ALA N . 18359 1 467 . 1 1 120 120 ASP H H 1 8.326 0.004 . 1 . . . . 120 ASP H . 18359 1 468 . 1 1 120 120 ASP C C 13 178.395 0.000 . 1 . . . . 120 ASP CO . 18359 1 469 . 1 1 120 120 ASP CA C 13 57.854 0.015 . 1 . . . . 120 ASP CA . 18359 1 470 . 1 1 120 120 ASP CB C 13 43.695 0.037 . 1 . . . . 120 ASP CB . 18359 1 471 . 1 1 120 120 ASP N N 15 119.824 0.034 . 1 . . . . 120 ASP N . 18359 1 472 . 1 1 121 121 TYR H H 1 8.244 0.004 . 1 . . . . 121 TYR H . 18359 1 473 . 1 1 121 121 TYR C C 13 177.558 0.000 . 1 . . . . 121 TYR CO . 18359 1 474 . 1 1 121 121 TYR CA C 13 62.364 0.027 . 1 . . . . 121 TYR CA . 18359 1 475 . 1 1 121 121 TYR CB C 13 38.192 0.032 . 1 . . . . 121 TYR CB . 18359 1 476 . 1 1 121 121 TYR N N 15 119.479 0.017 . 1 . . . . 121 TYR N . 18359 1 477 . 1 1 122 122 LYS H H 1 8.692 0.003 . 1 . . . . 122 LYS H . 18359 1 478 . 1 1 122 122 LYS C C 13 179.476 0.000 . 1 . . . . 122 LYS CO . 18359 1 479 . 1 1 122 122 LYS CA C 13 60.436 0.026 . 1 . . . . 122 LYS CA . 18359 1 480 . 1 1 122 122 LYS CB C 13 32.463 0.029 . 1 . . . . 122 LYS CB . 18359 1 481 . 1 1 122 122 LYS N N 15 117.626 0.027 . 1 . . . . 122 LYS N . 18359 1 482 . 1 1 123 123 SER H H 1 8.245 0.004 . 1 . . . . 123 SER H . 18359 1 483 . 1 1 123 123 SER C C 13 176.391 0.000 . 1 . . . . 123 SER CO . 18359 1 484 . 1 1 123 123 SER CA C 13 61.283 0.030 . 1 . . . . 123 SER CA . 18359 1 485 . 1 1 123 123 SER CB C 13 62.944 0.010 . 1 . . . . 123 SER CB . 18359 1 486 . 1 1 123 123 SER N N 15 115.024 0.029 . 1 . . . . 123 SER N . 18359 1 487 . 1 1 124 124 LYS H H 1 7.560 0.003 . 1 . . . . 124 LYS H . 18359 1 488 . 1 1 124 124 LYS C C 13 177.962 0.000 . 1 . . . . 124 LYS CO . 18359 1 489 . 1 1 124 124 LYS CA C 13 58.461 0.011 . 1 . . . . 124 LYS CA . 18359 1 490 . 1 1 124 124 LYS CB C 13 32.741 0.025 . 1 . . . . 124 LYS CB . 18359 1 491 . 1 1 124 124 LYS N N 15 121.467 0.048 . 1 . . . . 124 LYS N . 18359 1 492 . 1 1 125 125 ARG H H 1 7.471 0.003 . 1 . . . . 125 ARG H . 18359 1 493 . 1 1 125 125 ARG C C 13 176.859 0.000 . 1 . . . . 125 ARG CO . 18359 1 494 . 1 1 125 125 ARG CA C 13 55.935 0.033 . 1 . . . . 125 ARG CA . 18359 1 495 . 1 1 125 125 ARG CB C 13 29.982 0.039 . 1 . . . . 125 ARG CB . 18359 1 496 . 1 1 125 125 ARG N N 15 117.625 0.020 . 1 . . . . 125 ARG N . 18359 1 497 . 1 1 126 126 GLU H H 1 7.764 0.003 . 1 . . . . 126 GLU H . 18359 1 498 . 1 1 126 126 GLU C C 13 176.133 0.000 . 1 . . . . 126 GLU CO . 18359 1 499 . 1 1 126 126 GLU CA C 13 56.735 0.014 . 1 . . . . 126 GLU CA . 18359 1 500 . 1 1 126 126 GLU CB C 13 30.211 0.030 . 1 . . . . 126 GLU CB . 18359 1 501 . 1 1 126 126 GLU N N 15 119.630 0.018 . 1 . . . . 126 GLU N . 18359 1 502 . 1 1 127 127 ALA H H 1 7.983 0.006 . 1 . . . . 127 ALA H . 18359 1 503 . 1 1 127 127 ALA C C 13 176.675 0.000 . 1 . . . . 127 ALA CO . 18359 1 504 . 1 1 127 127 ALA CA C 13 52.510 0.014 . 1 . . . . 127 ALA CA . 18359 1 505 . 1 1 127 127 ALA CB C 13 19.043 0.031 . 1 . . . . 127 ALA CB . 18359 1 506 . 1 1 127 127 ALA N N 15 124.711 0.021 . 1 . . . . 127 ALA N . 18359 1 507 . 1 1 128 128 LYS H H 1 7.789 0.006 . 1 . . . . 128 LYS H . 18359 1 508 . 1 1 128 128 LYS CA C 13 57.615 0.000 . 1 . . . . 128 LYS CA . 18359 1 509 . 1 1 128 128 LYS CB C 13 33.733 0.000 . 1 . . . . 128 LYS CB . 18359 1 510 . 1 1 128 128 LYS N N 15 126.154 0.022 . 1 . . . . 128 LYS N . 18359 1 stop_ save_