################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 51410 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name Shifts_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 $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details ; Chemical shifts were assigned at pH 6 with an exception for four nuclei. Q18 CO, H19 HN, H19 N, and H19 CA chemical shifts were reported for pH 5.4. 18 18 Q C 178.000 19 19 H CA 58.10 19 19 H HN 8.307 19 19 H N 117.964 ; _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 TROSY' . . . 51410 1 2 '3D HNCO' . . . 51410 1 3 '3D HNCA' . . . 51410 1 4 '3D 15N-separated NOESY' . . . 51410 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . 51410 1 2 $software_2 . . 51410 1 3 $software_3 . . 51410 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 5 5 SER H H 1 8.213 . . . . . . . . 1 S HN . 51410 1 2 . 1 . 1 5 5 SER C C 13 175.080 . . . . . . . . 1 S C . 51410 1 3 . 1 . 1 5 5 SER CA C 13 58.91 . . . . . . . . 1 S CA . 51410 1 4 . 1 . 1 5 5 SER N N 15 117.409 . . . . . . . . 1 S N . 51410 1 5 . 1 . 1 6 6 GLY H H 1 8.315 . . . . . . . . 2 G HN . 51410 1 6 . 1 . 1 6 6 GLY C C 13 174.390 . . . . . . . . 2 G C . 51410 1 7 . 1 . 1 6 6 GLY CA C 13 45.71 . . . . . . . . 2 G CA . 51410 1 8 . 1 . 1 6 6 GLY N N 15 111.157 . . . . . . . . 2 G N . 51410 1 9 . 1 . 1 7 7 ILE H H 1 7.843 . . . . . . . . 3 I HN . 51410 1 10 . 1 . 1 7 7 ILE C C 13 176.530 . . . . . . . . 3 I C . 51410 1 11 . 1 . 1 7 7 ILE CA C 13 61.86 . . . . . . . . 3 I CA . 51410 1 12 . 1 . 1 7 7 ILE N N 15 120.530 . . . . . . . . 3 I N . 51410 1 13 . 1 . 1 8 8 VAL H H 1 7.954 . . . . . . . . 4 V HN . 51410 1 14 . 1 . 1 8 8 VAL C C 13 176.470 . . . . . . . . 4 V C . 51410 1 15 . 1 . 1 8 8 VAL CA C 13 63.28 . . . . . . . . 4 V CA . 51410 1 16 . 1 . 1 8 8 VAL N N 15 123.485 . . . . . . . . 4 V N . 51410 1 17 . 1 . 1 9 9 GLN H H 1 8.196 . . . . . . . . 5 Q HN . 51410 1 18 . 1 . 1 9 9 GLN C C 13 176.420 . . . . . . . . 5 Q C . 51410 1 19 . 1 . 1 9 9 GLN CA C 13 56.66 . . . . . . . . 5 Q CA . 51410 1 20 . 1 . 1 9 9 GLN N N 15 123.460 . . . . . . . . 5 Q N . 51410 1 21 . 1 . 1 10 10 GLN H H 1 8.182 . . . . . . . . 6 Q HN . 51410 1 22 . 1 . 1 10 10 GLN C C 13 176.460 . . . . . . . . 6 Q C . 51410 1 23 . 1 . 1 10 10 GLN CA C 13 56.60 . . . . . . . . 6 Q CA . 51410 1 24 . 1 . 1 10 10 GLN N N 15 121.163 . . . . . . . . 6 Q N . 51410 1 25 . 1 . 1 11 11 GLN H H 1 8.296 . . . . . . . . 7 Q HN . 51410 1 26 . 1 . 1 11 11 GLN C C 13 176.060 . . . . . . . . 7 Q C . 51410 1 27 . 1 . 1 11 11 GLN CA C 13 56.75 . . . . . . . . 7 Q CA . 51410 1 28 . 1 . 1 11 11 GLN N N 15 121.325 . . . . . . . . 7 Q N . 51410 1 29 . 1 . 1 12 12 ASN H H 1 8.306 . . . . . . . . 8 N HN . 51410 1 30 . 1 . 1 12 12 ASN C C 13 175.800 . . . . . . . . 8 N C . 51410 1 31 . 1 . 1 12 12 ASN CA C 13 54.25 . . . . . . . . 8 N CA . 51410 1 32 . 1 . 1 12 12 ASN N N 15 119.910 . . . . . . . . 8 N N . 51410 1 33 . 1 . 1 13 13 ASN H H 1 8.374 . . . . . . . . 9 N HN . 51410 1 34 . 1 . 1 13 13 ASN C C 13 176.590 . . . . . . . . 9 N C . 51410 1 35 . 1 . 1 13 13 ASN CA C 13 54.90 . . . . . . . . 9 N CA . 51410 1 36 . 1 . 1 13 13 ASN N N 15 120.198 . . . . . . . . 9 N N . 51410 1 37 . 1 . 1 14 14 LEU H H 1 8.151 . . . . . . . . 10 L HN . 51410 1 38 . 1 . 1 14 14 LEU C C 13 177.840 . . . . . . . . 10 L C . 51410 1 39 . 1 . 1 14 14 LEU CA C 13 57.57 . . . . . . . . 10 L CA . 51410 1 40 . 1 . 1 14 14 LEU N N 15 122.693 . . . . . . . . 10 L N . 51410 1 41 . 1 . 1 15 15 LEU H H 1 7.887 . . . . . . . . 11 L HN . 51410 1 42 . 1 . 1 15 15 LEU C C 13 178.650 . . . . . . . . 11 L C . 51410 1 43 . 1 . 1 15 15 LEU CA C 13 57.33 . . . . . . . . 11 L CA . 51410 1 44 . 1 . 1 15 15 LEU N N 15 119.055 . . . . . . . . 11 L N . 51410 1 45 . 1 . 1 16 16 ARG H H 1 7.878 . . . . . . . . 12 R HN . 51410 1 46 . 1 . 1 16 16 ARG C C 13 178.130 . . . . . . . . 12 R C . 51410 1 47 . 1 . 1 16 16 ARG CA C 13 58.18 . . . . . . . . 12 R CA . 51410 1 48 . 1 . 1 16 16 ARG N N 15 118.833 . . . . . . . . 12 R N . 51410 1 49 . 1 . 1 17 17 ALA H H 1 7.878 . . . . . . . . 13 A HN . 51410 1 50 . 1 . 1 17 17 ALA C C 13 179.150 . . . . . . . . 13 A C . 51410 1 51 . 1 . 1 17 17 ALA CA C 13 54.61 . . . . . . . . 13 A CA . 51410 1 52 . 1 . 1 17 17 ALA N N 15 122.956 . . . . . . . . 13 A N . 51410 1 53 . 1 . 1 18 18 ILE H H 1 7.873 . . . . . . . . 14 I HN . 51410 1 54 . 1 . 1 18 18 ILE C C 13 177.440 . . . . . . . . 14 I C . 51410 1 55 . 1 . 1 18 18 ILE CA C 13 63.83 . . . . . . . . 14 I CA . 51410 1 56 . 1 . 1 18 18 ILE N N 15 117.919 . . . . . . . . 14 I N . 51410 1 57 . 1 . 1 19 19 GLU H H 1 8.091 . . . . . . . . 15 E HN . 51410 1 58 . 1 . 1 19 19 GLU C C 13 178.000 . . . . . . . . 15 E C . 51410 1 59 . 1 . 1 19 19 GLU CA C 13 58.68 . . . . . . . . 15 E CA . 51410 1 60 . 1 . 1 19 19 GLU N N 15 120.833 . . . . . . . . 15 E N . 51410 1 61 . 1 . 1 20 20 ALA H H 1 7.877 . . . . . . . . 16 A HN . 51410 1 62 . 1 . 1 20 20 ALA C C 13 178.810 . . . . . . . . 16 A C . 51410 1 63 . 1 . 1 20 20 ALA CA C 13 54.41 . . . . . . . . 16 A CA . 51410 1 64 . 1 . 1 20 20 ALA N N 15 121.420 . . . . . . . . 16 A N . 51410 1 65 . 1 . 1 21 21 GLN H H 1 8.014 . . . . . . . . 17 Q HN . 51410 1 66 . 1 . 1 21 21 GLN C C 13 177.240 . . . . . . . . 17 Q C . 51410 1 67 . 1 . 1 21 21 GLN CA C 13 57.79 . . . . . . . . 17 Q CA . 51410 1 68 . 1 . 1 21 21 GLN N N 15 118.091 . . . . . . . . 17 Q N . 51410 1 69 . 1 . 1 22 22 GLN H H 1 8.157 . . . . . . . . 18 Q HN . 51410 1 70 . 1 . 1 22 22 GLN C C 13 178.000 . . . . . . . . 18 Q C . 51410 1 71 . 1 . 1 22 22 GLN CA C 13 58.68 . . . . . . . . 18 Q CA . 51410 1 72 . 1 . 1 22 22 GLN N N 15 120.153 . . . . . . . . 18 Q N . 51410 1 73 . 1 . 1 23 23 HIS H H 1 8.307 . . . . . . . . 19 H HN . 51410 1 74 . 1 . 1 23 23 HIS C C 13 177.250 . . . . . . . . 19 H C . 51410 1 75 . 1 . 1 23 23 HIS CA C 13 58.10 . . . . . . . . 19 H CA . 51410 1 76 . 1 . 1 23 23 HIS N N 15 117.964 . . . . . . . . 19 H N . 51410 1 77 . 1 . 1 24 24 LEU H H 1 8.217 . . . . . . . . 20 L HN . 51410 1 78 . 1 . 1 24 24 LEU C C 13 179.410 . . . . . . . . 20 L C . 51410 1 79 . 1 . 1 24 24 LEU CA C 13 57.85 . . . . . . . . 20 L CA . 51410 1 80 . 1 . 1 24 24 LEU N N 15 120.466 . . . . . . . . 20 L N . 51410 1 81 . 1 . 1 25 25 ALA H H 1 8.459 . . . . . . . . 21 A HN . 51410 1 82 . 1 . 1 25 25 ALA C C 13 179.240 . . . . . . . . 21 A C . 51410 1 83 . 1 . 1 25 25 ALA CA C 13 55.80 . . . . . . . . 21 A CA . 51410 1 84 . 1 . 1 25 25 ALA N N 15 124.281 . . . . . . . . 21 A N . 51410 1 85 . 1 . 1 26 26 GLN H H 1 8.029 . . . . . . . . 22 Q HN . 51410 1 86 . 1 . 1 26 26 GLN C C 13 179.000 . . . . . . . . 22 Q C . 51410 1 87 . 1 . 1 26 26 GLN CA C 13 59.02 . . . . . . . . 22 Q CA . 51410 1 88 . 1 . 1 26 26 GLN N N 15 117.538 . . . . . . . . 22 Q N . 51410 1 89 . 1 . 1 27 27 LEU H H 1 8.145 . . . . . . . . 23 L HN . 51410 1 90 . 1 . 1 27 27 LEU C C 13 178.370 . . . . . . . . 23 L C . 51410 1 91 . 1 . 1 27 27 LEU CA C 13 58.01 . . . . . . . . 23 L CA . 51410 1 92 . 1 . 1 27 27 LEU N N 15 121.081 . . . . . . . . 23 L N . 51410 1 93 . 1 . 1 28 28 THR H H 1 8.026 . . . . . . . . 24 T HN . 51410 1 94 . 1 . 1 28 28 THR C C 13 175.930 . . . . . . . . 24 T C . 51410 1 95 . 1 . 1 28 28 THR CA C 13 67.66 . . . . . . . . 24 T CA . 51410 1 96 . 1 . 1 28 28 THR N N 15 116.090 . . . . . . . . 24 T N . 51410 1 97 . 1 . 1 29 29 VAL H H 1 7.932 . . . . . . . . 25 V HN . 51410 1 98 . 1 . 1 29 29 VAL C C 13 177.550 . . . . . . . . 25 V C . 51410 1 99 . 1 . 1 29 29 VAL CA C 13 67.09 . . . . . . . . 25 V CA . 51410 1 100 . 1 . 1 29 29 VAL N N 15 121.173 . . . . . . . . 25 V N . 51410 1 101 . 1 . 1 30 30 TRP H H 1 8.105 . . . . . . . . 26 W HN . 51410 1 102 . 1 . 1 30 30 TRP C C 13 178.500 . . . . . . . . 26 W C . 51410 1 103 . 1 . 1 30 30 TRP CA C 13 61.74 . . . . . . . . 26 W CA . 51410 1 104 . 1 . 1 30 30 TRP N N 15 121.051 . . . . . . . . 26 W N . 51410 1 105 . 1 . 1 31 31 GLY H H 1 8.774 . . . . . . . . 27 G HN . 51410 1 106 . 1 . 1 31 31 GLY C C 13 174.950 . . . . . . . . 27 G C . 51410 1 107 . 1 . 1 31 31 GLY CA C 13 47.64 . . . . . . . . 27 G CA . 51410 1 108 . 1 . 1 31 31 GLY N N 15 107.507 . . . . . . . . 27 G N . 51410 1 109 . 1 . 1 32 32 ILE H H 1 8.326 . . . . . . . . 28 I HN . 51410 1 110 . 1 . 1 32 32 ILE C C 13 177.940 . . . . . . . . 28 I C . 51410 1 111 . 1 . 1 32 32 ILE CA C 13 65.30 . . . . . . . . 28 I CA . 51410 1 112 . 1 . 1 32 32 ILE N N 15 121.933 . . . . . . . . 28 I N . 51410 1 113 . 1 . 1 33 33 LYS H H 1 8.034 . . . . . . . . 29 K HN . 51410 1 114 . 1 . 1 33 33 LYS C C 13 179.800 . . . . . . . . 29 K C . 51410 1 115 . 1 . 1 33 33 LYS CA C 13 59.63 . . . . . . . . 29 K CA . 51410 1 116 . 1 . 1 33 33 LYS N N 15 120.395 . . . . . . . . 29 K N . 51410 1 117 . 1 . 1 34 34 GLN H H 1 7.843 . . . . . . . . 30 Q HN . 51410 1 118 . 1 . 1 34 34 GLN C C 13 178.410 . . . . . . . . 30 Q C . 51410 1 119 . 1 . 1 34 34 GLN CA C 13 57.66 . . . . . . . . 30 Q CA . 51410 1 120 . 1 . 1 34 34 GLN N N 15 118.648 . . . . . . . . 30 Q N . 51410 1 121 . 1 . 1 35 35 LEU H H 1 7.793 . . . . . . . . 31 L HN . 51410 1 122 . 1 . 1 35 35 LEU C C 13 179.000 . . . . . . . . 31 L C . 51410 1 123 . 1 . 1 35 35 LEU CA C 13 57.49 . . . . . . . . 31 L CA . 51410 1 124 . 1 . 1 35 35 LEU N N 15 119.995 . . . . . . . . 31 L N . 51410 1 125 . 1 . 1 36 36 GLN H H 1 8.143 . . . . . . . . 32 Q HN . 51410 1 126 . 1 . 1 36 36 GLN C C 13 177.730 . . . . . . . . 32 Q C . 51410 1 127 . 1 . 1 36 36 GLN CA C 13 58.28 . . . . . . . . 32 Q CA . 51410 1 128 . 1 . 1 36 36 GLN N N 15 118.968 . . . . . . . . 32 Q N . 51410 1 129 . 1 . 1 37 37 ALA H H 1 7.753 . . . . . . . . 33 A HN . 51410 1 130 . 1 . 1 37 37 ALA C C 13 178.900 . . . . . . . . 33 A C . 51410 1 131 . 1 . 1 37 37 ALA CA C 13 53.89 . . . . . . . . 33 A CA . 51410 1 132 . 1 . 1 37 37 ALA N N 15 122.058 . . . . . . . . 33 A N . 51410 1 133 . 1 . 1 38 38 ARG H H 1 7.693 . . . . . . . . 34 R HN . 51410 1 134 . 1 . 1 38 38 ARG C C 13 176.720 . . . . . . . . 34 R C . 51410 1 135 . 1 . 1 38 38 ARG CA C 13 56.60 . . . . . . . . 34 R CA . 51410 1 136 . 1 . 1 38 38 ARG N N 15 117.765 . . . . . . . . 34 R N . 51410 1 137 . 1 . 1 39 39 SER H H 1 7.840 . . . . . . . . 35 S HN . 51410 1 138 . 1 . 1 39 39 SER C C 13 175.210 . . . . . . . . 35 S C . 51410 1 139 . 1 . 1 39 39 SER CA C 13 59.20 . . . . . . . . 35 S CA . 51410 1 140 . 1 . 1 39 39 SER N N 15 115.185 . . . . . . . . 35 S N . 51410 1 141 . 1 . 1 40 40 GLY H H 1 8.150 . . . . . . . . 36 G HN . 51410 1 142 . 1 . 1 40 40 GLY C C 13 174.820 . . . . . . . . 36 G C . 51410 1 143 . 1 . 1 40 40 GLY CA C 13 45.77 . . . . . . . . 36 G CA . 51410 1 144 . 1 . 1 40 40 GLY N N 15 110.540 . . . . . . . . 36 G N . 51410 1 145 . 1 . 1 41 41 GLY H H 1 8.160 . . . . . . . . 37 G HN . 51410 1 146 . 1 . 1 41 41 GLY C C 13 174.330 . . . . . . . . 37 G C . 51410 1 147 . 1 . 1 41 41 GLY CA C 13 45.53 . . . . . . . . 37 G CA . 51410 1 148 . 1 . 1 41 41 GLY N N 15 108.863 . . . . . . . . 37 G N . 51410 1 149 . 1 . 1 42 42 ARG H H 1 8.086 . . . . . . . . 38 R HN . 51410 1 150 . 1 . 1 42 42 ARG C C 13 176.830 . . . . . . . . 38 R C . 51410 1 151 . 1 . 1 42 42 ARG CA C 13 56.33 . . . . . . . . 38 R CA . 51410 1 152 . 1 . 1 42 42 ARG N N 15 120.699 . . . . . . . . 38 R N . 51410 1 153 . 1 . 1 43 43 GLY H H 1 8.374 . . . . . . . . 39 G HN . 51410 1 154 . 1 . 1 43 43 GLY C C 13 174.560 . . . . . . . . 39 G C . 51410 1 155 . 1 . 1 43 43 GLY CA C 13 45.52 . . . . . . . . 39 G CA . 51410 1 156 . 1 . 1 43 43 GLY N N 15 109.842 . . . . . . . . 39 G N . 51410 1 157 . 1 . 1 44 44 GLY H H 1 8.134 . . . . . . . . 40 G HN . 51410 1 158 . 1 . 1 44 44 GLY C C 13 174.440 . . . . . . . . 40 G C . 51410 1 159 . 1 . 1 44 44 GLY CA C 13 45.55 . . . . . . . . 40 G CA . 51410 1 160 . 1 . 1 44 44 GLY N N 15 109.071 . . . . . . . . 40 G N . 51410 1 161 . 1 . 1 45 45 TRP H H 1 8.110 . . . . . . . . 41 W HN . 51410 1 162 . 1 . 1 45 45 TRP C C 13 176.540 . . . . . . . . 41 W C . 51410 1 163 . 1 . 1 45 45 TRP CA C 13 58.19 . . . . . . . . 41 W CA . 51410 1 164 . 1 . 1 45 45 TRP N N 15 121.207 . . . . . . . . 41 W N . 51410 1 165 . 1 . 1 46 46 MET H H 1 7.985 . . . . . . . . 42 M HN . 51410 1 166 . 1 . 1 46 46 MET C C 13 176.570 . . . . . . . . 42 M C . 51410 1 167 . 1 . 1 46 46 MET CA C 13 56.74 . . . . . . . . 42 M CA . 51410 1 168 . 1 . 1 46 46 MET N N 15 119.285 . . . . . . . . 42 M N . 51410 1 169 . 1 . 1 47 47 GLU H H 1 7.993 . . . . . . . . 43 E HN . 51410 1 170 . 1 . 1 47 47 GLU C C 13 177.070 . . . . . . . . 43 E C . 51410 1 171 . 1 . 1 47 47 GLU CA C 13 57.05 . . . . . . . . 43 E CA . 51410 1 172 . 1 . 1 47 47 GLU N N 15 120.127 . . . . . . . . 43 E N . 51410 1 173 . 1 . 1 48 48 TRP H H 1 7.839 . . . . . . . . 44 W HN . 51410 1 174 . 1 . 1 48 48 TRP C C 13 176.450 . . . . . . . . 44 W C . 51410 1 175 . 1 . 1 48 48 TRP CA C 13 58.60 . . . . . . . . 44 W CA . 51410 1 176 . 1 . 1 48 48 TRP N N 15 121.747 . . . . . . . . 44 W N . 51410 1 177 . 1 . 1 49 49 ASP H H 1 8.196 . . . . . . . . 45 D HN . 51410 1 178 . 1 . 1 49 49 ASP C C 13 177.260 . . . . . . . . 45 D C . 51410 1 179 . 1 . 1 49 49 ASP CA C 13 56.22 . . . . . . . . 45 D CA . 51410 1 180 . 1 . 1 49 49 ASP N N 15 120.019 . . . . . . . . 45 D N . 51410 1 181 . 1 . 1 50 50 ARG H H 1 7.807 . . . . . . . . 46 R HN . 51410 1 182 . 1 . 1 50 50 ARG C C 13 177.780 . . . . . . . . 46 R C . 51410 1 183 . 1 . 1 50 50 ARG CA C 13 58.18 . . . . . . . . 46 R CA . 51410 1 184 . 1 . 1 50 50 ARG N N 15 120.147 . . . . . . . . 46 R N . 51410 1 185 . 1 . 1 51 51 GLU H H 1 8.082 . . . . . . . . 47 E HN . 51410 1 186 . 1 . 1 51 51 GLU C C 13 178.140 . . . . . . . . 47 E C . 51410 1 187 . 1 . 1 51 51 GLU CA C 13 58.12 . . . . . . . . 47 E CA . 51410 1 188 . 1 . 1 51 51 GLU N N 15 119.687 . . . . . . . . 47 E N . 51410 1 189 . 1 . 1 52 52 ILE H H 1 8.180 . . . . . . . . 48 I HN . 51410 1 190 . 1 . 1 52 52 ILE C C 13 177.560 . . . . . . . . 48 I C . 51410 1 191 . 1 . 1 52 52 ILE CA C 13 63.67 . . . . . . . . 48 I CA . 51410 1 192 . 1 . 1 52 52 ILE N N 15 119.858 . . . . . . . . 48 I N . 51410 1 193 . 1 . 1 53 53 ASN H H 1 8.130 . . . . . . . . 49 N HN . 51410 1 194 . 1 . 1 53 53 ASN C C 13 176.700 . . . . . . . . 49 N C . 51410 1 195 . 1 . 1 53 53 ASN CA C 13 55.48 . . . . . . . . 49 N CA . 51410 1 196 . 1 . 1 53 53 ASN N N 15 120.600 . . . . . . . . 49 N N . 51410 1 197 . 1 . 1 54 54 ASN H H 1 8.062 . . . . . . . . 50 N HN . 51410 1 198 . 1 . 1 54 54 ASN C C 13 177.010 . . . . . . . . 50 N C . 51410 1 199 . 1 . 1 54 54 ASN CA C 13 55.22 . . . . . . . . 50 N CA . 51410 1 200 . 1 . 1 54 54 ASN N N 15 119.123 . . . . . . . . 50 N N . 51410 1 201 . 1 . 1 55 55 TYR H H 1 8.214 . . . . . . . . 51 Y HN . 51410 1 202 . 1 . 1 55 55 TYR C C 13 177.450 . . . . . . . . 51 Y C . 51410 1 203 . 1 . 1 55 55 TYR CA C 13 60.90 . . . . . . . . 51 Y CA . 51410 1 204 . 1 . 1 55 55 TYR N N 15 119.580 . . . . . . . . 51 Y N . 51410 1 205 . 1 . 1 56 56 THR H H 1 8.274 . . . . . . . . 52 T HN . 51410 1 206 . 1 . 1 56 56 THR C C 13 176.690 . . . . . . . . 52 T C . 51410 1 207 . 1 . 1 56 56 THR CA C 13 66.42 . . . . . . . . 52 T CA . 51410 1 208 . 1 . 1 56 56 THR N N 15 114.529 . . . . . . . . 52 T N . 51410 1 209 . 1 . 1 57 57 SER H H 1 8.043 . . . . . . . . 53 S HN . 51410 1 210 . 1 . 1 57 57 SER C C 13 176.750 . . . . . . . . 53 S C . 51410 1 211 . 1 . 1 57 57 SER CA C 13 61.57 . . . . . . . . 53 S CA . 51410 1 212 . 1 . 1 57 57 SER N N 15 118.212 . . . . . . . . 53 S N . 51410 1 213 . 1 . 1 58 58 LEU H H 1 7.725 . . . . . . . . 54 L HN . 51410 1 214 . 1 . 1 58 58 LEU C C 13 178.930 . . . . . . . . 54 L C . 51410 1 215 . 1 . 1 58 58 LEU CA C 13 58.08 . . . . . . . . 54 L CA . 51410 1 216 . 1 . 1 58 58 LEU N N 15 123.838 . . . . . . . . 54 L N . 51410 1 217 . 1 . 1 59 59 ILE H H 1 7.984 . . . . . . . . 55 I HN . 51410 1 218 . 1 . 1 59 59 ILE C C 13 177.380 . . . . . . . . 55 I C . 51410 1 219 . 1 . 1 59 59 ILE CA C 13 64.52 . . . . . . . . 55 I CA . 51410 1 220 . 1 . 1 59 59 ILE N N 15 118.466 . . . . . . . . 55 I N . 51410 1 221 . 1 . 1 60 60 HIS H H 1 8.219 . . . . . . . . 56 H HN . 51410 1 222 . 1 . 1 60 60 HIS C C 13 176.820 . . . . . . . . 56 H C . 51410 1 223 . 1 . 1 60 60 HIS CA C 13 59.44 . . . . . . . . 56 H CA . 51410 1 224 . 1 . 1 60 60 HIS N N 15 118.378 . . . . . . . . 56 H N . 51410 1 225 . 1 . 1 61 61 SER H H 1 8.100 . . . . . . . . 57 S HN . 51410 1 226 . 1 . 1 61 61 SER C C 13 175.660 . . . . . . . . 57 S C . 51410 1 227 . 1 . 1 61 61 SER CA C 13 61.64 . . . . . . . . 57 S CA . 51410 1 228 . 1 . 1 61 61 SER N N 15 115.215 . . . . . . . . 57 S N . 51410 1 229 . 1 . 1 62 62 LEU H H 1 7.835 . . . . . . . . 58 L HN . 51410 1 230 . 1 . 1 62 62 LEU C C 13 178.520 . . . . . . . . 58 L C . 51410 1 231 . 1 . 1 62 62 LEU CA C 13 57.32 . . . . . . . . 58 L CA . 51410 1 232 . 1 . 1 62 62 LEU N N 15 122.028 . . . . . . . . 58 L N . 51410 1 233 . 1 . 1 63 63 ILE H H 1 7.746 . . . . . . . . 59 I HN . 51410 1 234 . 1 . 1 63 63 ILE C C 13 177.390 . . . . . . . . 59 I C . 51410 1 235 . 1 . 1 63 63 ILE CA C 13 63.33 . . . . . . . . 59 I CA . 51410 1 236 . 1 . 1 63 63 ILE N N 15 117.425 . . . . . . . . 59 I N . 51410 1 237 . 1 . 1 64 64 GLU H H 1 7.980 . . . . . . . . 60 E HN . 51410 1 238 . 1 . 1 64 64 GLU C C 13 177.740 . . . . . . . . 60 E C . 51410 1 239 . 1 . 1 64 64 GLU CA C 13 58.19 . . . . . . . . 60 E CA . 51410 1 240 . 1 . 1 64 64 GLU N N 15 121.803 . . . . . . . . 60 E N . 51410 1 241 . 1 . 1 65 65 GLU H H 1 8.194 . . . . . . . . 61 E HN . 51410 1 242 . 1 . 1 65 65 GLU C C 13 177.580 . . . . . . . . 61 E C . 51410 1 243 . 1 . 1 65 65 GLU CA C 13 57.69 . . . . . . . . 61 E CA . 51410 1 244 . 1 . 1 65 65 GLU N N 15 120.467 . . . . . . . . 61 E N . 51410 1 245 . 1 . 1 66 66 SER H H 1 7.980 . . . . . . . . 62 S HN . 51410 1 246 . 1 . 1 66 66 SER C C 13 175.080 . . . . . . . . 62 S C . 51410 1 247 . 1 . 1 66 66 SER CA C 13 59.78 . . . . . . . . 62 S CA . 51410 1 248 . 1 . 1 66 66 SER N N 15 115.943 . . . . . . . . 62 S N . 51410 1 249 . 1 . 1 67 67 GLN H H 1 7.978 . . . . . . . . 63 Q HN . 51410 1 250 . 1 . 1 67 67 GLN C C 13 176.090 . . . . . . . . 63 Q C . 51410 1 251 . 1 . 1 67 67 GLN CA C 13 56.28 . . . . . . . . 63 Q CA . 51410 1 252 . 1 . 1 67 67 GLN N N 15 121.123 . . . . . . . . 63 Q N . 51410 1 253 . 1 . 1 68 68 ASN H H 1 8.102 . . . . . . . . 64 N HN . 51410 1 254 . 1 . 1 68 68 ASN C C 13 175.330 . . . . . . . . 64 N C . 51410 1 255 . 1 . 1 68 68 ASN CA C 13 53.61 . . . . . . . . 64 N CA . 51410 1 256 . 1 . 1 68 68 ASN N N 15 119.606 . . . . . . . . 64 N N . 51410 1 257 . 1 . 1 69 69 GLN H H 1 8.165 . . . . . . . . 65 Q HN . 51410 1 258 . 1 . 1 69 69 GLN C C 13 175.880 . . . . . . . . 65 Q C . 51410 1 259 . 1 . 1 69 69 GLN CA C 13 56.12 . . . . . . . . 65 Q CA . 51410 1 260 . 1 . 1 69 69 GLN N N 15 121.054 . . . . . . . . 65 Q N . 51410 1 261 . 1 . 1 70 70 GLN H H 1 8.194 . . . . . . . . 66 Q HN . 51410 1 262 . 1 . 1 70 70 GLN C C 13 175.860 . . . . . . . . 66 Q C . 51410 1 263 . 1 . 1 70 70 GLN CA C 13 56.05 . . . . . . . . 66 Q CA . 51410 1 264 . 1 . 1 70 70 GLN N N 15 121.410 . . . . . . . . 66 Q N . 51410 1 265 . 1 . 1 71 71 GLU H H 1 8.288 . . . . . . . . 67 E HN . 51410 1 266 . 1 . 1 71 71 GLU C C 13 175.400 . . . . . . . . 67 E C . 51410 1 267 . 1 . 1 71 71 GLU CA C 13 56.80 . . . . . . . . 67 E CA . 51410 1 268 . 1 . 1 71 71 GLU N N 15 123.119 . . . . . . . . 67 E N . 51410 1 269 . 1 . 1 72 72 LYS H H 1 7.792 . . . . . . . . 68 K HN . 51410 1 270 . 1 . 1 72 72 LYS CA C 13 57.66 . . . . . . . . 68 K CA . 51410 1 271 . 1 . 1 72 72 LYS N N 15 127.894 . . . . . . . . 68 K N . 51410 1 stop_ save_