################################### # 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 27246 _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' . . . 27246 1 2 '3D CBCA(CO)NH' . . . 27246 1 3 '3D HNCO' . . . 27246 1 4 '3D HNCA' . . . 27246 1 5 '3D HNCACB' . . . 27246 1 6 '3D HN(CO)CA' . . . 27246 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 MET C C 13 174.147 0.000 . . . . . . . 1 MET C . 27246 1 2 . 1 1 1 1 MET CA C 13 53.321 0.000 . . . . . . . 1 MET CA . 27246 1 3 . 1 1 2 2 GLY H H 1 7.511 0.001 . . . . . . . 2 GLY H . 27246 1 4 . 1 1 2 2 GLY C C 13 170.978 0.000 . . . . . . . 2 GLY C . 27246 1 5 . 1 1 2 2 GLY CA C 13 42.875 0.039 . . . . . . . 2 GLY CA . 27246 1 6 . 1 1 2 2 GLY N N 15 107.871 0.014 . . . . . . . 2 GLY N . 27246 1 7 . 1 1 3 3 GLU H H 1 8.669 0.001 . . . . . . . 3 GLU H . 27246 1 8 . 1 1 3 3 GLU C C 13 173.344 0.000 . . . . . . . 3 GLU C . 27246 1 9 . 1 1 3 3 GLU CA C 13 54.386 0.050 . . . . . . . 3 GLU CA . 27246 1 10 . 1 1 3 3 GLU CB C 13 27.652 0.016 . . . . . . . 3 GLU CB . 27246 1 11 . 1 1 3 3 GLU N N 15 120.409 0.039 . . . . . . . 3 GLU N . 27246 1 12 . 1 1 4 4 TRP H H 1 8.118 0.004 . . . . . . . 4 TRP H . 27246 1 13 . 1 1 4 4 TRP C C 13 173.479 0.000 . . . . . . . 4 TRP C . 27246 1 14 . 1 1 4 4 TRP CA C 13 54.390 0.071 . . . . . . . 4 TRP CA . 27246 1 15 . 1 1 4 4 TRP CB C 13 28.624 0.028 . . . . . . . 4 TRP CB . 27246 1 16 . 1 1 4 4 TRP N N 15 119.796 0.061 . . . . . . . 4 TRP N . 27246 1 17 . 1 1 5 5 GLU H H 1 9.414 0.005 . . . . . . . 5 GLU H . 27246 1 18 . 1 1 5 5 GLU C C 13 172.299 0.000 . . . . . . . 5 GLU C . 27246 1 19 . 1 1 5 5 GLU CA C 13 51.812 0.038 . . . . . . . 5 GLU CA . 27246 1 20 . 1 1 5 5 GLU CB C 13 30.675 0.076 . . . . . . . 5 GLU CB . 27246 1 21 . 1 1 5 5 GLU N N 15 123.361 0.035 . . . . . . . 5 GLU N . 27246 1 22 . 1 1 6 6 ILE H H 1 8.644 0.005 . . . . . . . 6 ILE H . 27246 1 23 . 1 1 6 6 ILE C C 13 174.537 0.000 . . . . . . . 6 ILE C . 27246 1 24 . 1 1 6 6 ILE CA C 13 58.648 0.055 . . . . . . . 6 ILE CA . 27246 1 25 . 1 1 6 6 ILE CB C 13 35.790 0.022 . . . . . . . 6 ILE CB . 27246 1 26 . 1 1 6 6 ILE N N 15 124.340 0.048 . . . . . . . 6 ILE N . 27246 1 27 . 1 1 7 7 ILE H H 1 8.575 0.001 . . . . . . . 7 ILE H . 27246 1 28 . 1 1 7 7 ILE C C 13 171.665 0.000 . . . . . . . 7 ILE C . 27246 1 29 . 1 1 7 7 ILE CA C 13 56.645 0.031 . . . . . . . 7 ILE CA . 27246 1 30 . 1 1 7 7 ILE CB C 13 38.270 0.072 . . . . . . . 7 ILE CB . 27246 1 31 . 1 1 7 7 ILE N N 15 123.070 0.024 . . . . . . . 7 ILE N . 27246 1 32 . 1 1 8 8 ASP H H 1 8.129 0.002 . . . . . . . 8 ASP H . 27246 1 33 . 1 1 8 8 ASP C C 13 173.443 0.000 . . . . . . . 8 ASP C . 27246 1 34 . 1 1 8 8 ASP CA C 13 51.153 0.031 . . . . . . . 8 ASP CA . 27246 1 35 . 1 1 8 8 ASP CB C 13 39.197 0.008 . . . . . . . 8 ASP CB . 27246 1 36 . 1 1 8 8 ASP N N 15 119.698 0.049 . . . . . . . 8 ASP N . 27246 1 37 . 1 1 9 9 ILE H H 1 8.067 0.001 . . . . . . . 9 ILE H . 27246 1 38 . 1 1 9 9 ILE C C 13 173.831 0.000 . . . . . . . 9 ILE C . 27246 1 39 . 1 1 9 9 ILE CA C 13 57.166 0.021 . . . . . . . 9 ILE CA . 27246 1 40 . 1 1 9 9 ILE CB C 13 34.788 0.000 . . . . . . . 9 ILE CB . 27246 1 41 . 1 1 9 9 ILE N N 15 114.712 0.021 . . . . . . . 9 ILE N . 27246 1 42 . 1 1 10 10 GLY H H 1 8.158 0.001 . . . . . . . 10 GLY H . 27246 1 43 . 1 1 10 10 GLY CA C 13 42.655 0.010 . . . . . . . 10 GLY CA . 27246 1 44 . 1 1 10 10 GLY N N 15 112.260 0.011 . . . . . . . 10 GLY N . 27246 1 45 . 1 1 12 12 PHE C C 13 175.391 0.000 . . . . . . . 12 PHE C . 27246 1 46 . 1 1 12 12 PHE CA C 13 59.172 0.005 . . . . . . . 12 PHE CA . 27246 1 47 . 1 1 13 13 THR H H 1 7.616 0.002 . . . . . . . 13 THR H . 27246 1 48 . 1 1 13 13 THR C C 13 174.585 0.000 . . . . . . . 13 THR C . 27246 1 49 . 1 1 13 13 THR CA C 13 62.682 0.032 . . . . . . . 13 THR CA . 27246 1 50 . 1 1 13 13 THR CB C 13 65.879 0.022 . . . . . . . 13 THR CB . 27246 1 51 . 1 1 13 13 THR N N 15 114.490 0.023 . . . . . . . 13 THR N . 27246 1 52 . 1 1 14 14 GLN H H 1 8.453 0.001 . . . . . . . 14 GLN H . 27246 1 53 . 1 1 14 14 GLN C C 13 175.615 0.000 . . . . . . . 14 GLN C . 27246 1 54 . 1 1 14 14 GLN CA C 13 56.085 0.028 . . . . . . . 14 GLN CA . 27246 1 55 . 1 1 14 14 GLN CB C 13 24.813 0.020 . . . . . . . 14 GLN CB . 27246 1 56 . 1 1 14 14 GLN N N 15 120.492 0.011 . . . . . . . 14 GLN N . 27246 1 57 . 1 1 15 15 ASN H H 1 7.938 0.001 . . . . . . . 15 ASN H . 27246 1 58 . 1 1 15 15 ASN C C 13 175.829 0.000 . . . . . . . 15 ASN C . 27246 1 59 . 1 1 15 15 ASN CA C 13 53.307 0.014 . . . . . . . 15 ASN CA . 27246 1 60 . 1 1 15 15 ASN CB C 13 35.285 0.025 . . . . . . . 15 ASN CB . 27246 1 61 . 1 1 15 15 ASN N N 15 116.684 0.022 . . . . . . . 15 ASN N . 27246 1 62 . 1 1 16 16 LEU H H 1 7.303 0.001 . . . . . . . 16 LEU H . 27246 1 63 . 1 1 16 16 LEU C C 13 175.782 0.000 . . . . . . . 16 LEU C . 27246 1 64 . 1 1 16 16 LEU CA C 13 55.152 0.023 . . . . . . . 16 LEU CA . 27246 1 65 . 1 1 16 16 LEU CB C 13 39.831 0.021 . . . . . . . 16 LEU CB . 27246 1 66 . 1 1 16 16 LEU N N 15 121.922 0.027 . . . . . . . 16 LEU N . 27246 1 67 . 1 1 17 17 GLY H H 1 7.730 0.002 . . . . . . . 17 GLY H . 27246 1 68 . 1 1 17 17 GLY C C 13 171.199 0.000 . . . . . . . 17 GLY C . 27246 1 69 . 1 1 17 17 GLY CA C 13 45.089 0.022 . . . . . . . 17 GLY CA . 27246 1 70 . 1 1 17 17 GLY N N 15 106.460 0.039 . . . . . . . 17 GLY N . 27246 1 71 . 1 1 18 18 LYS H H 1 7.383 0.001 . . . . . . . 18 LYS H . 27246 1 72 . 1 1 18 18 LYS C C 13 175.297 0.000 . . . . . . . 18 LYS C . 27246 1 73 . 1 1 18 18 LYS CA C 13 57.094 0.052 . . . . . . . 18 LYS CA . 27246 1 74 . 1 1 18 18 LYS CB C 13 29.514 0.023 . . . . . . . 18 LYS CB . 27246 1 75 . 1 1 18 18 LYS N N 15 122.740 0.015 . . . . . . . 18 LYS N . 27246 1 76 . 1 1 19 19 PHE H H 1 7.590 0.002 . . . . . . . 19 PHE H . 27246 1 77 . 1 1 19 19 PHE C C 13 173.281 0.000 . . . . . . . 19 PHE C . 27246 1 78 . 1 1 19 19 PHE CA C 13 58.087 0.032 . . . . . . . 19 PHE CA . 27246 1 79 . 1 1 19 19 PHE CB C 13 35.444 0.040 . . . . . . . 19 PHE CB . 27246 1 80 . 1 1 19 19 PHE N N 15 119.256 0.038 . . . . . . . 19 PHE N . 27246 1 81 . 1 1 20 20 ALA H H 1 8.061 0.001 . . . . . . . 20 ALA H . 27246 1 82 . 1 1 20 20 ALA C C 13 175.541 0.000 . . . . . . . 20 ALA C . 27246 1 83 . 1 1 20 20 ALA CA C 13 52.544 0.016 . . . . . . . 20 ALA CA . 27246 1 84 . 1 1 20 20 ALA CB C 13 15.338 0.034 . . . . . . . 20 ALA CB . 27246 1 85 . 1 1 20 20 ALA N N 15 120.148 0.060 . . . . . . . 20 ALA N . 27246 1 86 . 1 1 21 21 VAL H H 1 7.683 0.001 . . . . . . . 21 VAL H . 27246 1 87 . 1 1 21 21 VAL C C 13 173.906 0.000 . . . . . . . 21 VAL C . 27246 1 88 . 1 1 21 21 VAL CA C 13 64.288 0.041 . . . . . . . 21 VAL CA . 27246 1 89 . 1 1 21 21 VAL CB C 13 28.751 0.057 . . . . . . . 21 VAL CB . 27246 1 90 . 1 1 21 21 VAL N N 15 115.976 0.015 . . . . . . . 21 VAL N . 27246 1 91 . 1 1 22 22 ASP H H 1 8.408 0.002 . . . . . . . 22 ASP H . 27246 1 92 . 1 1 22 22 ASP C C 13 177.531 0.000 . . . . . . . 22 ASP C . 27246 1 93 . 1 1 22 22 ASP CA C 13 54.895 0.032 . . . . . . . 22 ASP CA . 27246 1 94 . 1 1 22 22 ASP CB C 13 37.079 0.023 . . . . . . . 22 ASP CB . 27246 1 95 . 1 1 22 22 ASP N N 15 121.176 0.017 . . . . . . . 22 ASP N . 27246 1 96 . 1 1 23 23 GLU H H 1 8.213 0.002 . . . . . . . 23 GLU H . 27246 1 97 . 1 1 23 23 GLU C C 13 177.056 0.000 . . . . . . . 23 GLU C . 27246 1 98 . 1 1 23 23 GLU CA C 13 55.784 0.020 . . . . . . . 23 GLU CA . 27246 1 99 . 1 1 23 23 GLU CB C 13 27.316 0.000 . . . . . . . 23 GLU CB . 27246 1 100 . 1 1 23 23 GLU N N 15 118.490 0.109 . . . . . . . 23 GLU N . 27246 1 101 . 1 1 24 24 GLU H H 1 8.306 0.002 . . . . . . . 24 GLU H . 27246 1 102 . 1 1 24 24 GLU C C 13 177.109 0.000 . . . . . . . 24 GLU C . 27246 1 103 . 1 1 24 24 GLU CA C 13 54.856 0.025 . . . . . . . 24 GLU CA . 27246 1 104 . 1 1 24 24 GLU CB C 13 24.196 0.007 . . . . . . . 24 GLU CB . 27246 1 105 . 1 1 24 24 GLU N N 15 123.543 0.034 . . . . . . . 24 GLU N . 27246 1 106 . 1 1 25 25 ASN H H 1 8.690 0.001 . . . . . . . 25 ASN H . 27246 1 107 . 1 1 25 25 ASN C C 13 175.318 0.000 . . . . . . . 25 ASN C . 27246 1 108 . 1 1 25 25 ASN CA C 13 52.139 0.060 . . . . . . . 25 ASN CA . 27246 1 109 . 1 1 25 25 ASN CB C 13 34.770 0.011 . . . . . . . 25 ASN CB . 27246 1 110 . 1 1 25 25 ASN N N 15 121.233 0.028 . . . . . . . 25 ASN N . 27246 1 111 . 1 1 26 26 LYS H H 1 7.103 0.002 . . . . . . . 26 LYS H . 27246 1 112 . 1 1 26 26 LYS C C 13 174.924 0.000 . . . . . . . 26 LYS C . 27246 1 113 . 1 1 26 26 LYS CA C 13 56.260 0.040 . . . . . . . 26 LYS CA . 27246 1 114 . 1 1 26 26 LYS CB C 13 29.849 0.025 . . . . . . . 26 LYS CB . 27246 1 115 . 1 1 26 26 LYS N N 15 118.901 0.011 . . . . . . . 26 LYS N . 27246 1 116 . 1 1 27 27 ILE H H 1 7.184 0.003 . . . . . . . 27 ILE H . 27246 1 117 . 1 1 27 27 ILE C C 13 176.177 0.000 . . . . . . . 27 ILE C . 27246 1 118 . 1 1 27 27 ILE CA C 13 60.649 0.068 . . . . . . . 27 ILE CA . 27246 1 119 . 1 1 27 27 ILE CB C 13 35.486 0.024 . . . . . . . 27 ILE CB . 27246 1 120 . 1 1 27 27 ILE N N 15 119.187 0.040 . . . . . . . 27 ILE N . 27246 1 121 . 1 1 28 28 GLY H H 1 8.137 0.001 . . . . . . . 28 GLY H . 27246 1 122 . 1 1 28 28 GLY C C 13 173.740 0.000 . . . . . . . 28 GLY C . 27246 1 123 . 1 1 28 28 GLY CA C 13 43.785 0.045 . . . . . . . 28 GLY CA . 27246 1 124 . 1 1 28 28 GLY N N 15 104.527 0.024 . . . . . . . 28 GLY N . 27246 1 125 . 1 1 29 29 GLN H H 1 7.062 0.002 . . . . . . . 29 GLN H . 27246 1 126 . 1 1 29 29 GLN C C 13 173.573 0.000 . . . . . . . 29 GLN C . 27246 1 127 . 1 1 29 29 GLN CA C 13 55.724 0.038 . . . . . . . 29 GLN CA . 27246 1 128 . 1 1 29 29 GLN CB C 13 26.083 0.011 . . . . . . . 29 GLN CB . 27246 1 129 . 1 1 29 29 GLN N N 15 119.908 0.030 . . . . . . . 29 GLN N . 27246 1 130 . 1 1 30 30 TYR H H 1 8.623 0.002 . . . . . . . 30 TYR H . 27246 1 131 . 1 1 30 30 TYR C C 13 172.888 0.000 . . . . . . . 30 TYR C . 27246 1 132 . 1 1 30 30 TYR CA C 13 54.500 0.012 . . . . . . . 30 TYR CA . 27246 1 133 . 1 1 30 30 TYR CB C 13 36.208 0.057 . . . . . . . 30 TYR CB . 27246 1 134 . 1 1 30 30 TYR N N 15 117.030 0.031 . . . . . . . 30 TYR N . 27246 1 135 . 1 1 31 31 GLY H H 1 7.219 0.001 . . . . . . . 31 GLY H . 27246 1 136 . 1 1 31 31 GLY C C 13 170.380 0.000 . . . . . . . 31 GLY C . 27246 1 137 . 1 1 31 31 GLY CA C 13 42.076 0.020 . . . . . . . 31 GLY CA . 27246 1 138 . 1 1 31 31 GLY N N 15 106.614 0.011 . . . . . . . 31 GLY N . 27246 1 139 . 1 1 32 32 ARG H H 1 8.380 0.002 . . . . . . . 32 ARG H . 27246 1 140 . 1 1 32 32 ARG C C 13 173.303 0.000 . . . . . . . 32 ARG C . 27246 1 141 . 1 1 32 32 ARG CA C 13 53.119 0.061 . . . . . . . 32 ARG CA . 27246 1 142 . 1 1 32 32 ARG CB C 13 26.705 0.002 . . . . . . . 32 ARG CB . 27246 1 143 . 1 1 32 32 ARG N N 15 122.925 0.037 . . . . . . . 32 ARG N . 27246 1 144 . 1 1 33 33 LEU H H 1 9.492 0.001 . . . . . . . 33 LEU H . 27246 1 145 . 1 1 33 33 LEU C C 13 175.148 0.000 . . . . . . . 33 LEU C . 27246 1 146 . 1 1 33 33 LEU CA C 13 50.901 0.026 . . . . . . . 33 LEU CA . 27246 1 147 . 1 1 33 33 LEU CB C 13 43.011 0.027 . . . . . . . 33 LEU CB . 27246 1 148 . 1 1 33 33 LEU N N 15 129.836 0.039 . . . . . . . 33 LEU N . 27246 1 149 . 1 1 34 34 THR H H 1 8.361 0.002 . . . . . . . 34 THR H . 27246 1 150 . 1 1 34 34 THR C C 13 171.261 0.000 . . . . . . . 34 THR C . 27246 1 151 . 1 1 34 34 THR CA C 13 58.081 0.011 . . . . . . . 34 THR CA . 27246 1 152 . 1 1 34 34 THR CB C 13 67.644 0.032 . . . . . . . 34 THR CB . 27246 1 153 . 1 1 34 34 THR N N 15 117.429 0.046 . . . . . . . 34 THR N . 27246 1 154 . 1 1 35 35 PHE H H 1 9.381 0.007 . . . . . . . 35 PHE H . 27246 1 155 . 1 1 35 35 PHE C C 13 170.930 0.000 . . . . . . . 35 PHE C . 27246 1 156 . 1 1 35 35 PHE CA C 13 57.692 0.039 . . . . . . . 35 PHE CA . 27246 1 157 . 1 1 35 35 PHE CB C 13 36.657 0.040 . . . . . . . 35 PHE CB . 27246 1 158 . 1 1 35 35 PHE N N 15 127.647 0.026 . . . . . . . 35 PHE N . 27246 1 159 . 1 1 36 36 ASN H H 1 8.320 0.003 . . . . . . . 36 ASN H . 27246 1 160 . 1 1 36 36 ASN C C 13 170.195 0.000 . . . . . . . 36 ASN C . 27246 1 161 . 1 1 36 36 ASN CA C 13 52.075 0.079 . . . . . . . 36 ASN CA . 27246 1 162 . 1 1 36 36 ASN CB C 13 38.442 0.091 . . . . . . . 36 ASN CB . 27246 1 163 . 1 1 36 36 ASN N N 15 125.545 0.102 . . . . . . . 36 ASN N . 27246 1 164 . 1 1 37 37 LYS H H 1 7.052 0.002 . . . . . . . 37 LYS H . 27246 1 165 . 1 1 37 37 LYS C C 13 170.833 0.000 . . . . . . . 37 LYS C . 27246 1 166 . 1 1 37 37 LYS CA C 13 53.961 0.020 . . . . . . . 37 LYS CA . 27246 1 167 . 1 1 37 37 LYS CB C 13 30.537 0.000 . . . . . . . 37 LYS CB . 27246 1 168 . 1 1 37 37 LYS N N 15 110.259 0.037 . . . . . . . 37 LYS N . 27246 1 169 . 1 1 38 38 VAL H H 1 9.240 0.001 . . . . . . . 38 VAL H . 27246 1 170 . 1 1 38 38 VAL C C 13 173.694 0.000 . . . . . . . 38 VAL C . 27246 1 171 . 1 1 38 38 VAL CA C 13 59.141 0.021 . . . . . . . 38 VAL CA . 27246 1 172 . 1 1 38 38 VAL CB C 13 30.537 0.004 . . . . . . . 38 VAL CB . 27246 1 173 . 1 1 38 38 VAL N N 15 121.632 0.027 . . . . . . . 38 VAL N . 27246 1 174 . 1 1 39 39 ILE H H 1 7.762 0.003 . . . . . . . 39 ILE H . 27246 1 175 . 1 1 39 39 ILE C C 13 171.225 0.000 . . . . . . . 39 ILE C . 27246 1 176 . 1 1 39 39 ILE CA C 13 56.850 0.048 . . . . . . . 39 ILE CA . 27246 1 177 . 1 1 39 39 ILE CB C 13 38.568 0.004 . . . . . . . 39 ILE CB . 27246 1 178 . 1 1 39 39 ILE N N 15 117.899 0.036 . . . . . . . 39 ILE N . 27246 1 179 . 1 1 40 40 ARG H H 1 8.186 0.004 . . . . . . . 40 ARG H . 27246 1 180 . 1 1 40 40 ARG CA C 13 52.334 0.017 . . . . . . . 40 ARG CA . 27246 1 181 . 1 1 40 40 ARG CB C 13 27.295 0.000 . . . . . . . 40 ARG CB . 27246 1 182 . 1 1 40 40 ARG N N 15 118.805 0.026 . . . . . . . 40 ARG N . 27246 1 183 . 1 1 41 41 PRO C C 13 173.713 0.000 . . . . . . . 41 PRO C . 27246 1 184 . 1 1 41 41 PRO CA C 13 58.668 0.037 . . . . . . . 41 PRO CA . 27246 1 185 . 1 1 41 41 PRO CB C 13 31.799 0.000 . . . . . . . 41 PRO CB . 27246 1 186 . 1 1 42 42 CYS H H 1 8.973 0.002 . . . . . . . 42 CYS H . 27246 1 187 . 1 1 42 42 CYS C C 13 170.451 0.000 . . . . . . . 42 CYS C . 27246 1 188 . 1 1 42 42 CYS CA C 13 55.920 0.070 . . . . . . . 42 CYS CA . 27246 1 189 . 1 1 42 42 CYS CB C 13 26.053 0.021 . . . . . . . 42 CYS CB . 27246 1 190 . 1 1 42 42 CYS N N 15 124.964 0.021 . . . . . . . 42 CYS N . 27246 1 191 . 1 1 43 43 MET H H 1 8.168 0.002 . . . . . . . 43 MET H . 27246 1 192 . 1 1 43 43 MET C C 13 172.033 0.000 . . . . . . . 43 MET C . 27246 1 193 . 1 1 43 43 MET CA C 13 51.077 0.047 . . . . . . . 43 MET CA . 27246 1 194 . 1 1 43 43 MET CB C 13 33.867 0.010 . . . . . . . 43 MET CB . 27246 1 195 . 1 1 43 43 MET N N 15 123.860 0.019 . . . . . . . 43 MET N . 27246 1 196 . 1 1 44 44 LYS H H 1 9.691 0.002 . . . . . . . 44 LYS H . 27246 1 197 . 1 1 44 44 LYS C C 13 171.390 0.000 . . . . . . . 44 LYS C . 27246 1 198 . 1 1 44 44 LYS CA C 13 52.046 0.032 . . . . . . . 44 LYS CA . 27246 1 199 . 1 1 44 44 LYS CB C 13 35.981 0.035 . . . . . . . 44 LYS CB . 27246 1 200 . 1 1 44 44 LYS N N 15 123.282 0.025 . . . . . . . 44 LYS N . 27246 1 201 . 1 1 45 45 LYS H H 1 9.296 0.014 . . . . . . . 45 LYS H . 27246 1 202 . 1 1 45 45 LYS C C 13 172.520 0.000 . . . . . . . 45 LYS C . 27246 1 203 . 1 1 45 45 LYS CA C 13 51.638 0.060 . . . . . . . 45 LYS CA . 27246 1 204 . 1 1 45 45 LYS CB C 13 32.114 0.000 . . . . . . . 45 LYS CB . 27246 1 205 . 1 1 45 45 LYS N N 15 129.614 0.102 . . . . . . . 45 LYS N . 27246 1 206 . 1 1 46 46 THR H H 1 8.501 0.003 . . . . . . . 46 THR H . 27246 1 207 . 1 1 46 46 THR C C 13 169.329 0.000 . . . . . . . 46 THR C . 27246 1 208 . 1 1 46 46 THR CA C 13 60.603 0.049 . . . . . . . 46 THR CA . 27246 1 209 . 1 1 46 46 THR CB C 13 66.620 0.030 . . . . . . . 46 THR CB . 27246 1 210 . 1 1 46 46 THR N N 15 123.054 0.015 . . . . . . . 46 THR N . 27246 1 211 . 1 1 47 47 ILE H H 1 8.326 0.003 . . . . . . . 47 ILE H . 27246 1 212 . 1 1 47 47 ILE C C 13 172.240 0.000 . . . . . . . 47 ILE C . 27246 1 213 . 1 1 47 47 ILE CA C 13 56.590 0.020 . . . . . . . 47 ILE CA . 27246 1 214 . 1 1 47 47 ILE CB C 13 34.887 0.000 . . . . . . . 47 ILE CB . 27246 1 215 . 1 1 47 47 ILE N N 15 127.028 0.035 . . . . . . . 47 ILE N . 27246 1 216 . 1 1 48 48 TYR H H 1 8.659 0.001 . . . . . . . 48 TYR H . 27246 1 217 . 1 1 48 48 TYR C C 13 173.555 0.000 . . . . . . . 48 TYR C . 27246 1 218 . 1 1 48 48 TYR CA C 13 55.123 0.015 . . . . . . . 48 TYR CA . 27246 1 219 . 1 1 48 48 TYR CB C 13 37.748 0.019 . . . . . . . 48 TYR CB . 27246 1 220 . 1 1 48 48 TYR N N 15 126.579 0.025 . . . . . . . 48 TYR N . 27246 1 221 . 1 1 49 49 GLU H H 1 8.732 0.001 . . . . . . . 49 GLU H . 27246 1 222 . 1 1 49 49 GLU C C 13 173.679 0.000 . . . . . . . 49 GLU C . 27246 1 223 . 1 1 49 49 GLU CA C 13 54.532 0.070 . . . . . . . 49 GLU CA . 27246 1 224 . 1 1 49 49 GLU CB C 13 28.276 0.083 . . . . . . . 49 GLU CB . 27246 1 225 . 1 1 49 49 GLU N N 15 121.052 0.033 . . . . . . . 49 GLU N . 27246 1 226 . 1 1 50 50 ASN H H 1 8.379 0.005 . . . . . . . 50 ASN H . 27246 1 227 . 1 1 50 50 ASN C C 13 172.192 0.000 . . . . . . . 50 ASN C . 27246 1 228 . 1 1 50 50 ASN CA C 13 50.874 0.021 . . . . . . . 50 ASN CA . 27246 1 229 . 1 1 50 50 ASN CB C 13 37.002 0.000 . . . . . . . 50 ASN CB . 27246 1 230 . 1 1 50 50 ASN N N 15 116.539 0.067 . . . . . . . 50 ASN N . 27246 1 231 . 1 1 51 51 GLU H H 1 8.335 0.002 . . . . . . . 51 GLU H . 27246 1 232 . 1 1 51 51 GLU C C 13 173.709 0.000 . . . . . . . 51 GLU C . 27246 1 233 . 1 1 51 51 GLU CA C 13 54.192 0.054 . . . . . . . 51 GLU CA . 27246 1 234 . 1 1 51 51 GLU CB C 13 27.202 0.107 . . . . . . . 51 GLU CB . 27246 1 235 . 1 1 51 51 GLU N N 15 119.372 0.074 . . . . . . . 51 GLU N . 27246 1 236 . 1 1 52 52 GLY H H 1 8.288 0.003 . . . . . . . 52 GLY H . 27246 1 237 . 1 1 52 52 GLY C C 13 171.542 0.000 . . . . . . . 52 GLY C . 27246 1 238 . 1 1 52 52 GLY CA C 13 42.930 0.035 . . . . . . . 52 GLY CA . 27246 1 239 . 1 1 52 52 GLY N N 15 109.100 0.039 . . . . . . . 52 GLY N . 27246 1 240 . 1 1 53 53 PHE H H 1 8.087 0.002 . . . . . . . 53 PHE H . 27246 1 241 . 1 1 53 53 PHE C C 13 172.293 0.000 . . . . . . . 53 PHE C . 27246 1 242 . 1 1 53 53 PHE CA C 13 54.732 0.020 . . . . . . . 53 PHE CA . 27246 1 243 . 1 1 53 53 PHE CB C 13 35.846 0.003 . . . . . . . 53 PHE CB . 27246 1 244 . 1 1 53 53 PHE N N 15 119.561 0.067 . . . . . . . 53 PHE N . 27246 1 245 . 1 1 54 54 ARG H H 1 8.199 0.003 . . . . . . . 54 ARG H . 27246 1 246 . 1 1 54 54 ARG C C 13 172.770 0.000 . . . . . . . 54 ARG C . 27246 1 247 . 1 1 54 54 ARG CA C 13 54.252 0.051 . . . . . . . 54 ARG CA . 27246 1 248 . 1 1 54 54 ARG CB C 13 26.750 0.008 . . . . . . . 54 ARG CB . 27246 1 249 . 1 1 54 54 ARG N N 15 119.242 0.077 . . . . . . . 54 ARG N . 27246 1 250 . 1 1 55 55 GLU H H 1 8.248 0.001 . . . . . . . 55 GLU H . 27246 1 251 . 1 1 55 55 GLU C C 13 173.268 0.000 . . . . . . . 55 GLU C . 27246 1 252 . 1 1 55 55 GLU CA C 13 53.301 0.013 . . . . . . . 55 GLU CA . 27246 1 253 . 1 1 55 55 GLU CB C 13 28.038 0.018 . . . . . . . 55 GLU CB . 27246 1 254 . 1 1 55 55 GLU N N 15 120.164 0.021 . . . . . . . 55 GLU N . 27246 1 255 . 1 1 56 56 ILE H H 1 8.620 0.003 . . . . . . . 56 ILE H . 27246 1 256 . 1 1 56 56 ILE C C 13 173.010 0.000 . . . . . . . 56 ILE C . 27246 1 257 . 1 1 56 56 ILE CA C 13 60.716 0.019 . . . . . . . 56 ILE CA . 27246 1 258 . 1 1 56 56 ILE CB C 13 36.496 0.027 . . . . . . . 56 ILE CB . 27246 1 259 . 1 1 56 56 ILE N N 15 126.112 0.051 . . . . . . . 56 ILE N . 27246 1 260 . 1 1 57 57 LYS H H 1 9.076 0.001 . . . . . . . 57 LYS H . 27246 1 261 . 1 1 57 57 LYS C C 13 174.148 0.000 . . . . . . . 57 LYS C . 27246 1 262 . 1 1 57 57 LYS CA C 13 53.386 0.061 . . . . . . . 57 LYS CA . 27246 1 263 . 1 1 57 57 LYS CB C 13 32.245 0.000 . . . . . . . 57 LYS CB . 27246 1 264 . 1 1 57 57 LYS N N 15 127.202 0.034 . . . . . . . 57 LYS N . 27246 1 265 . 1 1 58 58 GLY H H 1 7.535 0.009 . . . . . . . 58 GLY H . 27246 1 266 . 1 1 58 58 GLY C C 13 180.046 0.000 . . . . . . . 58 GLY C . 27246 1 267 . 1 1 58 58 GLY CA C 13 42.850 0.040 . . . . . . . 58 GLY CA . 27246 1 268 . 1 1 58 58 GLY N N 15 107.911 0.016 . . . . . . . 58 GLY N . 27246 1 269 . 1 1 59 59 TYR H H 1 8.632 0.001 . . . . . . . 59 TYR H . 27246 1 270 . 1 1 59 59 TYR C C 13 172.483 0.000 . . . . . . . 59 TYR C . 27246 1 271 . 1 1 59 59 TYR CA C 13 53.130 0.046 . . . . . . . 59 TYR CA . 27246 1 272 . 1 1 59 59 TYR CB C 13 41.258 0.032 . . . . . . . 59 TYR CB . 27246 1 273 . 1 1 59 59 TYR N N 15 114.951 0.015 . . . . . . . 59 TYR N . 27246 1 274 . 1 1 60 60 GLU H H 1 8.795 0.001 . . . . . . . 60 GLU H . 27246 1 275 . 1 1 60 60 GLU C C 13 171.527 0.000 . . . . . . . 60 GLU C . 27246 1 276 . 1 1 60 60 GLU CA C 13 52.398 0.105 . . . . . . . 60 GLU CA . 27246 1 277 . 1 1 60 60 GLU CB C 13 31.642 0.071 . . . . . . . 60 GLU CB . 27246 1 278 . 1 1 60 60 GLU N N 15 121.586 0.031 . . . . . . . 60 GLU N . 27246 1 279 . 1 1 61 61 TYR H H 1 9.472 0.005 . . . . . . . 61 TYR H . 27246 1 280 . 1 1 61 61 TYR C C 13 173.453 0.000 . . . . . . . 61 TYR C . 27246 1 281 . 1 1 61 61 TYR CA C 13 53.642 0.017 . . . . . . . 61 TYR CA . 27246 1 282 . 1 1 61 61 TYR CB C 13 39.968 0.021 . . . . . . . 61 TYR CB . 27246 1 283 . 1 1 61 61 TYR N N 15 119.149 0.042 . . . . . . . 61 TYR N . 27246 1 284 . 1 1 62 62 GLN H H 1 9.062 0.005 . . . . . . . 62 GLN H . 27246 1 285 . 1 1 62 62 GLN C C 13 172.591 0.000 . . . . . . . 62 GLN C . 27246 1 286 . 1 1 62 62 GLN CA C 13 52.615 0.086 . . . . . . . 62 GLN CA . 27246 1 287 . 1 1 62 62 GLN CB C 13 27.991 0.026 . . . . . . . 62 GLN CB . 27246 1 288 . 1 1 62 62 GLN N N 15 120.637 0.055 . . . . . . . 62 GLN N . 27246 1 289 . 1 1 63 63 LEU H H 1 9.282 0.002 . . . . . . . 63 LEU H . 27246 1 290 . 1 1 63 63 LEU C C 13 173.930 0.000 . . . . . . . 63 LEU C . 27246 1 291 . 1 1 63 63 LEU CA C 13 51.073 0.027 . . . . . . . 63 LEU CA . 27246 1 292 . 1 1 63 63 LEU CB C 13 43.642 0.012 . . . . . . . 63 LEU CB . 27246 1 293 . 1 1 63 63 LEU N N 15 124.089 0.028 . . . . . . . 63 LEU N . 27246 1 294 . 1 1 64 64 TYR H H 1 9.832 0.009 . . . . . . . 64 TYR H . 27246 1 295 . 1 1 64 64 TYR C C 13 171.542 0.000 . . . . . . . 64 TYR C . 27246 1 296 . 1 1 64 64 TYR CA C 13 56.021 0.038 . . . . . . . 64 TYR CA . 27246 1 297 . 1 1 64 64 TYR CB C 13 37.437 0.032 . . . . . . . 64 TYR CB . 27246 1 298 . 1 1 64 64 TYR N N 15 124.965 0.059 . . . . . . . 64 TYR N . 27246 1 299 . 1 1 65 65 VAL H H 1 9.139 0.002 . . . . . . . 65 VAL H . 27246 1 300 . 1 1 65 65 VAL C C 13 171.715 0.000 . . . . . . . 65 VAL C . 27246 1 301 . 1 1 65 65 VAL CA C 13 56.864 0.071 . . . . . . . 65 VAL CA . 27246 1 302 . 1 1 65 65 VAL CB C 13 33.312 0.017 . . . . . . . 65 VAL CB . 27246 1 303 . 1 1 65 65 VAL N N 15 121.383 0.023 . . . . . . . 65 VAL N . 27246 1 304 . 1 1 66 66 TYR H H 1 9.411 0.001 . . . . . . . 66 TYR H . 27246 1 305 . 1 1 66 66 TYR C C 13 173.072 0.000 . . . . . . . 66 TYR C . 27246 1 306 . 1 1 66 66 TYR CA C 13 55.161 0.001 . . . . . . . 66 TYR CA . 27246 1 307 . 1 1 66 66 TYR CB C 13 37.389 0.003 . . . . . . . 66 TYR CB . 27246 1 308 . 1 1 66 66 TYR N N 15 127.314 0.019 . . . . . . . 66 TYR N . 27246 1 309 . 1 1 67 67 ALA H H 1 9.836 0.001 . . . . . . . 67 ALA H . 27246 1 310 . 1 1 67 67 ALA C C 13 173.501 0.000 . . . . . . . 67 ALA C . 27246 1 311 . 1 1 67 67 ALA CA C 13 48.445 0.025 . . . . . . . 67 ALA CA . 27246 1 312 . 1 1 67 67 ALA CB C 13 20.209 0.002 . . . . . . . 67 ALA CB . 27246 1 313 . 1 1 67 67 ALA N N 15 127.943 0.012 . . . . . . . 67 ALA N . 27246 1 314 . 1 1 68 68 SER H H 1 9.343 0.001 . . . . . . . 68 SER H . 27246 1 315 . 1 1 68 68 SER C C 13 171.197 0.000 . . . . . . . 68 SER C . 27246 1 316 . 1 1 68 68 SER CA C 13 57.578 0.078 . . . . . . . 68 SER CA . 27246 1 317 . 1 1 68 68 SER CB C 13 59.266 0.000 . . . . . . . 68 SER CB . 27246 1 318 . 1 1 68 68 SER N N 15 117.773 0.025 . . . . . . . 68 SER N . 27246 1 319 . 1 1 69 69 ASP H H 1 9.083 0.001 . . . . . . . 69 ASP H . 27246 1 320 . 1 1 69 69 ASP C C 13 171.917 0.000 . . . . . . . 69 ASP C . 27246 1 321 . 1 1 69 69 ASP CA C 13 53.482 0.066 . . . . . . . 69 ASP CA . 27246 1 322 . 1 1 69 69 ASP CB C 13 37.149 0.000 . . . . . . . 69 ASP CB . 27246 1 323 . 1 1 69 69 ASP N N 15 110.096 0.027 . . . . . . . 69 ASP N . 27246 1 324 . 1 1 70 70 LYS H H 1 8.167 0.002 . . . . . . . 70 LYS H . 27246 1 325 . 1 1 70 70 LYS C C 13 169.710 0.000 . . . . . . . 70 LYS C . 27246 1 326 . 1 1 70 70 LYS CA C 13 52.255 0.048 . . . . . . . 70 LYS CA . 27246 1 327 . 1 1 70 70 LYS CB C 13 33.646 0.003 . . . . . . . 70 LYS CB . 27246 1 328 . 1 1 70 70 LYS N N 15 121.355 0.032 . . . . . . . 70 LYS N . 27246 1 329 . 1 1 71 71 LEU H H 1 8.016 0.001 . . . . . . . 71 LEU H . 27246 1 330 . 1 1 71 71 LEU C C 13 171.365 0.000 . . . . . . . 71 LEU C . 27246 1 331 . 1 1 71 71 LEU CA C 13 50.992 0.028 . . . . . . . 71 LEU CA . 27246 1 332 . 1 1 71 71 LEU CB C 13 39.892 0.000 . . . . . . . 71 LEU CB . 27246 1 333 . 1 1 71 71 LEU N N 15 122.985 0.054 . . . . . . . 71 LEU N . 27246 1 334 . 1 1 72 72 PHE H H 1 8.964 0.001 . . . . . . . 72 PHE H . 27246 1 335 . 1 1 72 72 PHE C C 13 171.803 0.000 . . . . . . . 72 PHE C . 27246 1 336 . 1 1 72 72 PHE CA C 13 53.751 0.032 . . . . . . . 72 PHE CA . 27246 1 337 . 1 1 72 72 PHE CB C 13 40.142 0.050 . . . . . . . 72 PHE CB . 27246 1 338 . 1 1 72 72 PHE N N 15 123.318 0.034 . . . . . . . 72 PHE N . 27246 1 339 . 1 1 73 73 ARG H H 1 8.592 0.004 . . . . . . . 73 ARG H . 27246 1 340 . 1 1 73 73 ARG C C 13 172.309 0.000 . . . . . . . 73 ARG C . 27246 1 341 . 1 1 73 73 ARG CA C 13 50.908 0.037 . . . . . . . 73 ARG CA . 27246 1 342 . 1 1 73 73 ARG CB C 13 28.663 0.001 . . . . . . . 73 ARG CB . 27246 1 343 . 1 1 73 73 ARG N N 15 120.457 0.027 . . . . . . . 73 ARG N . 27246 1 344 . 1 1 74 74 ALA H H 1 8.502 0.001 . . . . . . . 74 ALA H . 27246 1 345 . 1 1 74 74 ALA C C 13 171.850 0.000 . . . . . . . 74 ALA C . 27246 1 346 . 1 1 74 74 ALA CA C 13 47.066 0.028 . . . . . . . 74 ALA CA . 27246 1 347 . 1 1 74 74 ALA CB C 13 20.208 0.008 . . . . . . . 74 ALA CB . 27246 1 348 . 1 1 74 74 ALA N N 15 126.494 0.035 . . . . . . . 74 ALA N . 27246 1 349 . 1 1 75 75 ASP H H 1 8.602 0.003 . . . . . . . 75 ASP H . 27246 1 350 . 1 1 75 75 ASP C C 13 173.215 0.000 . . . . . . . 75 ASP C . 27246 1 351 . 1 1 75 75 ASP CA C 13 49.966 0.058 . . . . . . . 75 ASP CA . 27246 1 352 . 1 1 75 75 ASP CB C 13 40.570 0.040 . . . . . . . 75 ASP CB . 27246 1 353 . 1 1 75 75 ASP N N 15 122.028 0.048 . . . . . . . 75 ASP N . 27246 1 354 . 1 1 76 76 ILE H H 1 9.096 0.001 . . . . . . . 76 ILE H . 27246 1 355 . 1 1 76 76 ILE C C 13 171.648 0.000 . . . . . . . 76 ILE C . 27246 1 356 . 1 1 76 76 ILE CA C 13 56.615 0.028 . . . . . . . 76 ILE CA . 27246 1 357 . 1 1 76 76 ILE CB C 13 41.696 0.006 . . . . . . . 76 ILE CB . 27246 1 358 . 1 1 76 76 ILE N N 15 123.410 0.016 . . . . . . . 76 ILE N . 27246 1 359 . 1 1 77 77 SER H H 1 9.366 0.002 . . . . . . . 77 SER H . 27246 1 360 . 1 1 77 77 SER C C 13 170.433 0.000 . . . . . . . 77 SER C . 27246 1 361 . 1 1 77 77 SER CA C 13 53.491 0.067 . . . . . . . 77 SER CA . 27246 1 362 . 1 1 77 77 SER CB C 13 63.582 0.003 . . . . . . . 77 SER CB . 27246 1 363 . 1 1 77 77 SER N N 15 120.245 0.024 . . . . . . . 77 SER N . 27246 1 364 . 1 1 78 78 GLU H H 1 9.018 0.001 . . . . . . . 78 GLU H . 27246 1 365 . 1 1 78 78 GLU C C 13 172.108 0.000 . . . . . . . 78 GLU C . 27246 1 366 . 1 1 78 78 GLU CA C 13 52.685 0.005 . . . . . . . 78 GLU CA . 27246 1 367 . 1 1 78 78 GLU CB C 13 32.306 0.025 . . . . . . . 78 GLU CB . 27246 1 368 . 1 1 78 78 GLU N N 15 123.474 0.032 . . . . . . . 78 GLU N . 27246 1 369 . 1 1 79 79 GLN H H 1 8.324 0.001 . . . . . . . 79 GLN H . 27246 1 370 . 1 1 79 79 GLN C C 13 173.721 0.000 . . . . . . . 79 GLN C . 27246 1 371 . 1 1 79 79 GLN CA C 13 52.340 0.042 . . . . . . . 79 GLN CA . 27246 1 372 . 1 1 79 79 GLN CB C 13 27.777 0.098 . . . . . . . 79 GLN CB . 27246 1 373 . 1 1 79 79 GLN N N 15 123.862 0.022 . . . . . . . 79 GLN N . 27246 1 374 . 1 1 80 80 VAL H H 1 7.777 0.002 . . . . . . . 80 VAL H . 27246 1 375 . 1 1 80 80 VAL C C 13 174.141 0.000 . . . . . . . 80 VAL C . 27246 1 376 . 1 1 80 80 VAL CA C 13 62.298 0.119 . . . . . . . 80 VAL CA . 27246 1 377 . 1 1 80 80 VAL CB C 13 29.214 0.000 . . . . . . . 80 VAL CB . 27246 1 378 . 1 1 80 80 VAL N N 15 120.153 0.026 . . . . . . . 80 VAL N . 27246 1 379 . 1 1 81 81 VAL H H 1 7.913 0.001 . . . . . . . 81 VAL H . 27246 1 380 . 1 1 81 81 VAL C C 13 173.630 0.000 . . . . . . . 81 VAL C . 27246 1 381 . 1 1 81 81 VAL CA C 13 61.228 0.020 . . . . . . . 81 VAL CA . 27246 1 382 . 1 1 81 81 VAL CB C 13 29.284 0.012 . . . . . . . 81 VAL CB . 27246 1 383 . 1 1 81 81 VAL N N 15 118.852 0.010 . . . . . . . 81 VAL N . 27246 1 384 . 1 1 82 82 ALA H H 1 8.219 0.001 . . . . . . . 82 ALA H . 27246 1 385 . 1 1 82 82 ALA C C 13 175.367 0.000 . . . . . . . 82 ALA C . 27246 1 386 . 1 1 82 82 ALA CA C 13 50.579 0.056 . . . . . . . 82 ALA CA . 27246 1 387 . 1 1 82 82 ALA CB C 13 16.199 0.001 . . . . . . . 82 ALA CB . 27246 1 388 . 1 1 82 82 ALA N N 15 123.569 0.025 . . . . . . . 82 ALA N . 27246 1 389 . 1 1 83 83 GLY H H 1 7.874 0.003 . . . . . . . 83 GLY H . 27246 1 390 . 1 1 83 83 GLY C C 13 172.057 0.000 . . . . . . . 83 GLY C . 27246 1 391 . 1 1 83 83 GLY CA C 13 43.132 0.013 . . . . . . . 83 GLY CA . 27246 1 392 . 1 1 83 83 GLY N N 15 106.736 0.022 . . . . . . . 83 GLY N . 27246 1 393 . 1 1 84 84 GLY H H 1 8.106 0.001 . . . . . . . 84 GLY H . 27246 1 394 . 1 1 84 84 GLY C C 13 171.102 0.000 . . . . . . . 84 GLY C . 27246 1 395 . 1 1 84 84 GLY CA C 13 43.156 0.035 . . . . . . . 84 GLY CA . 27246 1 396 . 1 1 84 84 GLY N N 15 108.689 0.011 . . . . . . . 84 GLY N . 27246 1 397 . 1 1 85 85 ARG H H 1 8.121 0.002 . . . . . . . 85 ARG H . 27246 1 398 . 1 1 85 85 ARG C C 13 172.998 0.000 . . . . . . . 85 ARG C . 27246 1 399 . 1 1 85 85 ARG CA C 13 52.739 0.017 . . . . . . . 85 ARG CA . 27246 1 400 . 1 1 85 85 ARG CB C 13 30.479 0.018 . . . . . . . 85 ARG CB . 27246 1 401 . 1 1 85 85 ARG N N 15 121.966 0.016 . . . . . . . 85 ARG N . 27246 1 402 . 1 1 86 86 LYS H H 1 8.899 0.004 . . . . . . . 86 LYS H . 27246 1 403 . 1 1 86 86 LYS C C 13 172.333 0.000 . . . . . . . 86 LYS C . 27246 1 404 . 1 1 86 86 LYS CA C 13 52.612 0.051 . . . . . . . 86 LYS CA . 27246 1 405 . 1 1 86 86 LYS CB C 13 34.161 0.003 . . . . . . . 86 LYS CB . 27246 1 406 . 1 1 86 86 LYS N N 15 121.421 0.029 . . . . . . . 86 LYS N . 27246 1 407 . 1 1 87 87 LEU H H 1 9.385 0.003 . . . . . . . 87 LEU H . 27246 1 408 . 1 1 87 87 LEU C C 13 172.769 0.000 . . . . . . . 87 LEU C . 27246 1 409 . 1 1 87 87 LEU CA C 13 52.469 0.045 . . . . . . . 87 LEU CA . 27246 1 410 . 1 1 87 87 LEU CB C 13 40.261 0.015 . . . . . . . 87 LEU CB . 27246 1 411 . 1 1 87 87 LEU N N 15 126.335 0.014 . . . . . . . 87 LEU N . 27246 1 412 . 1 1 88 88 LEU H H 1 9.184 0.001 . . . . . . . 88 LEU H . 27246 1 413 . 1 1 88 88 LEU C C 13 174.971 0.000 . . . . . . . 88 LEU C . 27246 1 414 . 1 1 88 88 LEU CA C 13 53.655 0.028 . . . . . . . 88 LEU CA . 27246 1 415 . 1 1 88 88 LEU CB C 13 40.240 0.000 . . . . . . . 88 LEU CB . 27246 1 416 . 1 1 88 88 LEU N N 15 128.968 0.014 . . . . . . . 88 LEU N . 27246 1 417 . 1 1 89 89 ARG H H 1 7.506 0.002 . . . . . . . 89 ARG H . 27246 1 418 . 1 1 89 89 ARG C C 13 170.829 0.000 . . . . . . . 89 ARG C . 27246 1 419 . 1 1 89 89 ARG CA C 13 52.995 0.065 . . . . . . . 89 ARG CA . 27246 1 420 . 1 1 89 89 ARG CB C 13 31.291 0.047 . . . . . . . 89 ARG CB . 27246 1 421 . 1 1 89 89 ARG N N 15 113.989 0.024 . . . . . . . 89 ARG N . 27246 1 422 . 1 1 90 90 PHE H H 1 8.648 0.006 . . . . . . . 90 PHE H . 27246 1 423 . 1 1 90 90 PHE C C 13 171.260 0.000 . . . . . . . 90 PHE C . 27246 1 424 . 1 1 90 90 PHE CA C 13 55.180 0.044 . . . . . . . 90 PHE CA . 27246 1 425 . 1 1 90 90 PHE CB C 13 40.162 0.000 . . . . . . . 90 PHE CB . 27246 1 426 . 1 1 90 90 PHE N N 15 126.515 0.052 . . . . . . . 90 PHE N . 27246 1 427 . 1 1 91 91 ASN H H 1 8.814 0.001 . . . . . . . 91 ASN H . 27246 1 428 . 1 1 91 91 ASN C C 13 169.900 0.000 . . . . . . . 91 ASN C . 27246 1 429 . 1 1 91 91 ASN CA C 13 50.201 0.041 . . . . . . . 91 ASN CA . 27246 1 430 . 1 1 91 91 ASN CB C 13 40.669 0.095 . . . . . . . 91 ASN CB . 27246 1 431 . 1 1 91 91 ASN N N 15 124.265 0.028 . . . . . . . 91 ASN N . 27246 1 432 . 1 1 92 92 GLY H H 1 8.143 0.001 . . . . . . . 92 GLY H . 27246 1 433 . 1 1 92 92 GLY CA C 13 42.063 0.024 . . . . . . . 92 GLY CA . 27246 1 434 . 1 1 92 92 GLY N N 15 107.652 0.016 . . . . . . . 92 GLY N . 27246 1 435 . 1 1 93 93 PRO C C 13 173.907 0.000 . . . . . . . 93 PRO C . 27246 1 436 . 1 1 93 93 PRO CA C 13 59.192 0.028 . . . . . . . 93 PRO CA . 27246 1 437 . 1 1 93 93 PRO CB C 13 32.085 0.000 . . . . . . . 93 PRO CB . 27246 1 438 . 1 1 94 94 VAL H H 1 8.506 0.001 . . . . . . . 94 VAL H . 27246 1 439 . 1 1 94 94 VAL CA C 13 55.152 0.011 . . . . . . . 94 VAL CA . 27246 1 440 . 1 1 94 94 VAL CB C 13 29.777 0.000 . . . . . . . 94 VAL CB . 27246 1 441 . 1 1 94 94 VAL N N 15 118.073 0.017 . . . . . . . 94 VAL N . 27246 1 stop_ save_