################################### # 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 51706 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'Histone H3 in 16-mer nucleosome arrays with 60bp linker DNA' _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '3D (H)CANH' . . . 51706 1 2 '3D (H)CONH' . . . 51706 1 3 '3D (H)CO(CA)NH' . . . 51706 1 4 '3D (H)(CO)CA(CO)NH' . . . 51706 1 5 '3D (H)(CA)CB(CA)NH' . . . 51706 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 3 $software_3 . . 51706 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 44 44 PRO C C 13 177.678 0.00 . . . . . . . 43 PRO C . 51706 1 2 . 1 . 1 45 45 GLY H H 1 9.533 0.07 . . . . . . . 44 GLY HN . 51706 1 3 . 1 . 1 45 45 GLY C C 13 174.458 0.00 . . . . . . . 44 GLY C . 51706 1 4 . 1 . 1 45 45 GLY CA C 13 45.753 0.09 . . . . . . . 44 GLY CA . 51706 1 5 . 1 . 1 45 45 GLY N N 15 119.521 0.29 . . . . . . . 44 GLY N . 51706 1 6 . 1 . 1 46 46 THR H H 1 8.550 0.03 . . . . . . . 45 THR HN . 51706 1 7 . 1 . 1 46 46 THR C C 13 177.336 0.00 . . . . . . . 45 THR C . 51706 1 8 . 1 . 1 46 46 THR CA C 13 66.189 0.06 . . . . . . . 45 THR CA . 51706 1 9 . 1 . 1 46 46 THR CB C 13 69.770 0.00 . . . . . . . 45 THR CB . 51706 1 10 . 1 . 1 46 46 THR N N 15 119.779 0.07 . . . . . . . 45 THR N . 51706 1 11 . 1 . 1 47 47 VAL H H 1 8.383 0.02 . . . . . . . 46 VAL HN . 51706 1 12 . 1 . 1 47 47 VAL C C 13 177.781 0.00 . . . . . . . 46 VAL C . 51706 1 13 . 1 . 1 47 47 VAL CA C 13 66.282 0.08 . . . . . . . 46 VAL CA . 51706 1 14 . 1 . 1 47 47 VAL N N 15 124.358 0.09 . . . . . . . 46 VAL N . 51706 1 15 . 1 . 1 48 48 ALA H H 1 7.877 0.03 . . . . . . . 47 ALA HN . 51706 1 16 . 1 . 1 48 48 ALA C C 13 179.694 0.02 . . . . . . . 47 ALA C . 51706 1 17 . 1 . 1 48 48 ALA CA C 13 56.069 0.07 . . . . . . . 47 ALA CA . 51706 1 18 . 1 . 1 48 48 ALA CB C 13 18.421 0.00 . . . . . . . 47 ALA CB . 51706 1 19 . 1 . 1 48 48 ALA N N 15 125.056 0.14 . . . . . . . 47 ALA N . 51706 1 20 . 1 . 1 49 49 LEU H H 1 7.724 0.04 . . . . . . . 48 LEU HN . 51706 1 21 . 1 . 1 49 49 LEU C C 13 178.685 0.03 . . . . . . . 48 LEU C . 51706 1 22 . 1 . 1 49 49 LEU CA C 13 58.277 0.07 . . . . . . . 48 LEU CA . 51706 1 23 . 1 . 1 49 49 LEU CB C 13 42.093 0.02 . . . . . . . 48 LEU CB . 51706 1 24 . 1 . 1 49 49 LEU N N 15 115.313 0.18 . . . . . . . 48 LEU N . 51706 1 25 . 1 . 1 50 50 ARG H H 1 7.106 0.05 . . . . . . . 49 ARG HN . 51706 1 26 . 1 . 1 50 50 ARG C C 13 180.121 0.02 . . . . . . . 49 ARG C . 51706 1 27 . 1 . 1 50 50 ARG CA C 13 59.980 0.06 . . . . . . . 49 ARG CA . 51706 1 28 . 1 . 1 50 50 ARG CB C 13 30.530 0.00 . . . . . . . 49 ARG CB . 51706 1 29 . 1 . 1 50 50 ARG N N 15 119.721 0.20 . . . . . . . 49 ARG N . 51706 1 30 . 1 . 1 51 51 GLU H H 1 8.736 0.02 . . . . . . . 50 GLU HN . 51706 1 31 . 1 . 1 51 51 GLU C C 13 178.433 0.01 . . . . . . . 50 GLU C . 51706 1 32 . 1 . 1 51 51 GLU CA C 13 59.522 0.01 . . . . . . . 50 GLU CA . 51706 1 33 . 1 . 1 51 51 GLU CB C 13 29.906 0.00 . . . . . . . 50 GLU CB . 51706 1 34 . 1 . 1 51 51 GLU N N 15 120.226 0.10 . . . . . . . 50 GLU N . 51706 1 35 . 1 . 1 52 52 ILE H H 1 8.264 0.06 . . . . . . . 51 ILE HN . 51706 1 36 . 1 . 1 52 52 ILE C C 13 177.551 0.01 . . . . . . . 51 ILE C . 51706 1 37 . 1 . 1 52 52 ILE CA C 13 66.350 0.06 . . . . . . . 51 ILE CA . 51706 1 38 . 1 . 1 52 52 ILE CB C 13 38.768 0.01 . . . . . . . 51 ILE CB . 51706 1 39 . 1 . 1 52 52 ILE N N 15 121.294 0.08 . . . . . . . 51 ILE N . 51706 1 40 . 1 . 1 53 53 ARG H H 1 7.578 0.03 . . . . . . . 52 ARG HN . 51706 1 41 . 1 . 1 53 53 ARG C C 13 179.597 0.01 . . . . . . . 52 ARG C . 51706 1 42 . 1 . 1 53 53 ARG CA C 13 59.361 0.01 . . . . . . . 52 ARG CA . 51706 1 43 . 1 . 1 53 53 ARG N N 15 115.980 0.14 . . . . . . . 52 ARG N . 51706 1 44 . 1 . 1 54 54 ARG H H 1 7.914 0.00 . . . . . . . 53 ARG HN . 51706 1 45 . 1 . 1 54 54 ARG C C 13 179.670 0.00 . . . . . . . 53 ARG C . 51706 1 46 . 1 . 1 54 54 ARG CA C 13 59.201 0.01 . . . . . . . 53 ARG CA . 51706 1 47 . 1 . 1 54 54 ARG CB C 13 30.864 0.00 . . . . . . . 53 ARG CB . 51706 1 48 . 1 . 1 54 54 ARG N N 15 118.512 0.03 . . . . . . . 53 ARG N . 51706 1 49 . 1 . 1 55 55 TYR H H 1 8.680 0.06 . . . . . . . 54 TYR HN . 51706 1 50 . 1 . 1 55 55 TYR C C 13 178.799 0.01 . . . . . . . 54 TYR C . 51706 1 51 . 1 . 1 55 55 TYR CA C 13 61.945 0.05 . . . . . . . 54 TYR CA . 51706 1 52 . 1 . 1 55 55 TYR CB C 13 37.313 0.00 . . . . . . . 54 TYR CB . 51706 1 53 . 1 . 1 55 55 TYR N N 15 116.029 0.09 . . . . . . . 54 TYR N . 51706 1 54 . 1 . 1 56 56 GLN H H 1 8.653 0.07 . . . . . . . 55 GLN HN . 51706 1 55 . 1 . 1 56 56 GLN C C 13 177.732 0.02 . . . . . . . 55 GLN C . 51706 1 56 . 1 . 1 56 56 GLN CA C 13 59.059 0.05 . . . . . . . 55 GLN CA . 51706 1 57 . 1 . 1 56 56 GLN CB C 13 27.868 0.00 . . . . . . . 55 GLN CB . 51706 1 58 . 1 . 1 56 56 GLN N N 15 117.673 0.05 . . . . . . . 55 GLN N . 51706 1 59 . 1 . 1 57 57 LYS H H 1 7.191 0.08 . . . . . . . 56 LYS HN . 51706 1 60 . 1 . 1 57 57 LYS C C 13 175.783 0.16 . . . . . . . 56 LYS C . 51706 1 61 . 1 . 1 57 57 LYS CA C 13 57.348 0.07 . . . . . . . 56 LYS CA . 51706 1 62 . 1 . 1 57 57 LYS CB C 13 33.689 0.00 . . . . . . . 56 LYS CB . 51706 1 63 . 1 . 1 57 57 LYS N N 15 118.396 0.13 . . . . . . . 56 LYS N . 51706 1 64 . 1 . 1 58 58 SER H H 1 7.207 0.04 . . . . . . . 57 SER HN . 51706 1 65 . 1 . 1 58 58 SER C C 13 174.304 0.02 . . . . . . . 57 SER C . 51706 1 66 . 1 . 1 58 58 SER CA C 13 56.802 0.07 . . . . . . . 57 SER CA . 51706 1 67 . 1 . 1 58 58 SER CB C 13 66.214 0.00 . . . . . . . 57 SER CB . 51706 1 68 . 1 . 1 58 58 SER N N 15 113.225 0.06 . . . . . . . 57 SER N . 51706 1 69 . 1 . 1 59 59 THR H H 1 8.579 0.02 . . . . . . . 58 THR HN . 51706 1 70 . 1 . 1 59 59 THR C C 13 174.392 0.02 . . . . . . . 58 THR C . 51706 1 71 . 1 . 1 59 59 THR CA C 13 61.184 0.04 . . . . . . . 58 THR CA . 51706 1 72 . 1 . 1 59 59 THR CB C 13 70.526 0.00 . . . . . . . 58 THR CB . 51706 1 73 . 1 . 1 59 59 THR N N 15 107.853 0.10 . . . . . . . 58 THR N . 51706 1 74 . 1 . 1 60 60 GLU H H 1 8.756 0.04 . . . . . . . 59 GLU HN . 51706 1 75 . 1 . 1 60 60 GLU C C 13 175.908 0.00 . . . . . . . 59 GLU C . 51706 1 76 . 1 . 1 60 60 GLU CA C 13 56.366 0.03 . . . . . . . 59 GLU CA . 51706 1 77 . 1 . 1 60 60 GLU CB C 13 29.768 0.00 . . . . . . . 59 GLU CB . 51706 1 78 . 1 . 1 60 60 GLU N N 15 124.747 0.12 . . . . . . . 59 GLU N . 51706 1 79 . 1 . 1 61 61 LEU H H 1 8.266 0.01 . . . . . . . 60 LEU HN . 51706 1 80 . 1 . 1 61 61 LEU C C 13 178.406 0.02 . . . . . . . 60 LEU C . 51706 1 81 . 1 . 1 61 61 LEU CA C 13 55.358 0.07 . . . . . . . 60 LEU CA . 51706 1 82 . 1 . 1 61 61 LEU CB C 13 40.441 0.00 . . . . . . . 60 LEU CB . 51706 1 83 . 1 . 1 61 61 LEU N N 15 121.790 0.08 . . . . . . . 60 LEU N . 51706 1 84 . 1 . 1 62 62 LEU H H 1 12.078 0.02 . . . . . . . 61 LEU HN . 51706 1 85 . 1 . 1 62 62 LEU C C 13 178.260 0.01 . . . . . . . 61 LEU C . 51706 1 86 . 1 . 1 62 62 LEU CA C 13 55.971 0.00 . . . . . . . 61 LEU CA . 51706 1 87 . 1 . 1 62 62 LEU CB C 13 42.787 0.00 . . . . . . . 61 LEU CB . 51706 1 88 . 1 . 1 62 62 LEU N N 15 129.163 0.08 . . . . . . . 61 LEU N . 51706 1 89 . 1 . 1 63 63 ILE H H 1 9.296 0.02 . . . . . . . 62 ILE HN . 51706 1 90 . 1 . 1 63 63 ILE C C 13 177.394 0.01 . . . . . . . 62 ILE C . 51706 1 91 . 1 . 1 63 63 ILE CA C 13 61.144 0.04 . . . . . . . 62 ILE CA . 51706 1 92 . 1 . 1 63 63 ILE CB C 13 37.777 0.00 . . . . . . . 62 ILE CB . 51706 1 93 . 1 . 1 63 63 ILE N N 15 124.149 0.04 . . . . . . . 62 ILE N . 51706 1 94 . 1 . 1 64 64 ARG H H 1 8.156 0.06 . . . . . . . 63 ARG HN . 51706 1 95 . 1 . 1 64 64 ARG C C 13 176.652 0.02 . . . . . . . 63 ARG C . 51706 1 96 . 1 . 1 64 64 ARG CA C 13 57.851 0.04 . . . . . . . 63 ARG CA . 51706 1 97 . 1 . 1 64 64 ARG CB C 13 29.114 0.00 . . . . . . . 63 ARG CB . 51706 1 98 . 1 . 1 64 64 ARG N N 15 126.432 0.10 . . . . . . . 63 ARG N . 51706 1 99 . 1 . 1 65 65 LYS H H 1 8.618 0.02 . . . . . . . 64 LYS HN . 51706 1 100 . 1 . 1 65 65 LYS C C 13 180.639 0.01 . . . . . . . 64 LYS C . 51706 1 101 . 1 . 1 65 65 LYS CA C 13 61.431 0.04 . . . . . . . 64 LYS CA . 51706 1 102 . 1 . 1 65 65 LYS CB C 13 32.141 0.00 . . . . . . . 64 LYS CB . 51706 1 103 . 1 . 1 65 65 LYS N N 15 124.349 0.14 . . . . . . . 64 LYS N . 51706 1 104 . 1 . 1 66 66 LEU H H 1 9.900 0.04 . . . . . . . 65 LEU HN . 51706 1 105 . 1 . 1 66 66 LEU C C 13 176.611 0.01 . . . . . . . 65 LEU C . 51706 1 106 . 1 . 1 66 66 LEU CA C 13 59.728 0.07 . . . . . . . 65 LEU CA . 51706 1 107 . 1 . 1 66 66 LEU CB C 13 39.349 0.00 . . . . . . . 65 LEU CB . 51706 1 108 . 1 . 1 66 66 LEU N N 15 122.508 0.09 . . . . . . . 65 LEU N . 51706 1 109 . 1 . 1 67 67 PRO C C 13 179.164 0.00 . . . . . . . 66 PRO C . 51706 1 110 . 1 . 1 68 68 PHE H H 1 7.274 0.04 . . . . . . . 67 PHE HN . 51706 1 111 . 1 . 1 68 68 PHE C C 13 175.883 0.00 . . . . . . . 67 PHE C . 51706 1 112 . 1 . 1 68 68 PHE CA C 13 63.089 0.11 . . . . . . . 67 PHE CA . 51706 1 113 . 1 . 1 68 68 PHE CB C 13 38.943 0.00 . . . . . . . 67 PHE CB . 51706 1 114 . 1 . 1 68 68 PHE N N 15 118.119 0.09 . . . . . . . 67 PHE N . 51706 1 115 . 1 . 1 69 69 GLN H H 1 8.577 0.03 . . . . . . . 68 GLN HN . 51706 1 116 . 1 . 1 69 69 GLN C C 13 177.901 0.03 . . . . . . . 68 GLN C . 51706 1 117 . 1 . 1 69 69 GLN CA C 13 59.618 0.01 . . . . . . . 68 GLN CA . 51706 1 118 . 1 . 1 69 69 GLN CB C 13 28.258 0.00 . . . . . . . 68 GLN CB . 51706 1 119 . 1 . 1 69 69 GLN N N 15 119.363 0.07 . . . . . . . 68 GLN N . 51706 1 120 . 1 . 1 70 70 ARG H H 1 8.230 0.05 . . . . . . . 69 ARG HN . 51706 1 121 . 1 . 1 70 70 ARG C C 13 179.092 0.00 . . . . . . . 69 ARG C . 51706 1 122 . 1 . 1 70 70 ARG CA C 13 60.342 0.03 . . . . . . . 69 ARG CA . 51706 1 123 . 1 . 1 70 70 ARG CB C 13 30.909 0.00 . . . . . . . 69 ARG CB . 51706 1 124 . 1 . 1 70 70 ARG N N 15 116.894 0.10 . . . . . . . 69 ARG N . 51706 1 125 . 1 . 1 71 71 LEU H H 1 7.341 0.05 . . . . . . . 70 LEU HN . 51706 1 126 . 1 . 1 71 71 LEU C C 13 177.180 0.00 . . . . . . . 70 LEU C . 51706 1 127 . 1 . 1 71 71 LEU CA C 13 57.903 0.04 . . . . . . . 70 LEU CA . 51706 1 128 . 1 . 1 71 71 LEU CB C 13 41.296 0.00 . . . . . . . 70 LEU CB . 51706 1 129 . 1 . 1 71 71 LEU N N 15 119.594 0.10 . . . . . . . 70 LEU N . 51706 1 130 . 1 . 1 72 72 VAL H H 1 7.712 0.02 . . . . . . . 71 VAL HN . 51706 1 131 . 1 . 1 72 72 VAL C C 13 177.099 0.00 . . . . . . . 71 VAL C . 51706 1 132 . 1 . 1 72 72 VAL CA C 13 66.526 0.09 . . . . . . . 71 VAL CA . 51706 1 133 . 1 . 1 72 72 VAL CB C 13 31.572 0.00 . . . . . . . 71 VAL CB . 51706 1 134 . 1 . 1 72 72 VAL N N 15 117.461 0.07 . . . . . . . 71 VAL N . 51706 1 135 . 1 . 1 73 73 ARG H H 1 7.602 0.01 . . . . . . . 72 ARG HN . 51706 1 136 . 1 . 1 73 73 ARG C C 13 179.031 0.00 . . . . . . . 72 ARG C . 51706 1 137 . 1 . 1 73 73 ARG CA C 13 59.410 0.03 . . . . . . . 72 ARG CA . 51706 1 138 . 1 . 1 73 73 ARG CB C 13 30.090 0.00 . . . . . . . 72 ARG CB . 51706 1 139 . 1 . 1 73 73 ARG N N 15 116.416 0.08 . . . . . . . 72 ARG N . 51706 1 140 . 1 . 1 74 74 GLU H H 1 8.001 0.00 . . . . . . . 73 GLU HN . 51706 1 141 . 1 . 1 74 74 GLU C C 13 178.758 0.00 . . . . . . . 73 GLU C . 51706 1 142 . 1 . 1 74 74 GLU CA C 13 59.195 0.00 . . . . . . . 73 GLU CA . 51706 1 143 . 1 . 1 74 74 GLU N N 15 121.094 0.00 . . . . . . . 73 GLU N . 51706 1 144 . 1 . 1 75 75 ILE H H 1 8.197 0.03 . . . . . . . 74 ILE HN . 51706 1 145 . 1 . 1 75 75 ILE C C 13 178.344 0.00 . . . . . . . 74 ILE C . 51706 1 146 . 1 . 1 75 75 ILE CA C 13 64.496 0.02 . . . . . . . 74 ILE CA . 51706 1 147 . 1 . 1 75 75 ILE N N 15 120.625 0.08 . . . . . . . 74 ILE N . 51706 1 148 . 1 . 1 76 76 ALA H H 1 8.352 0.00 . . . . . . . 75 ALA HN . 51706 1 149 . 1 . 1 76 76 ALA C C 13 178.766 0.03 . . . . . . . 75 ALA C . 51706 1 150 . 1 . 1 76 76 ALA CA C 13 55.483 0.03 . . . . . . . 75 ALA CA . 51706 1 151 . 1 . 1 76 76 ALA CB C 13 19.009 0.00 . . . . . . . 75 ALA CB . 51706 1 152 . 1 . 1 76 76 ALA N N 15 119.194 0.17 . . . . . . . 75 ALA N . 51706 1 153 . 1 . 1 77 77 GLN H H 1 7.511 0.01 . . . . . . . 76 GLN HN . 51706 1 154 . 1 . 1 77 77 GLN C C 13 176.731 0.00 . . . . . . . 76 GLN C . 51706 1 155 . 1 . 1 77 77 GLN CA C 13 57.621 0.00 . . . . . . . 76 GLN CA . 51706 1 156 . 1 . 1 77 77 GLN CB C 13 28.459 0.00 . . . . . . . 76 GLN CB . 51706 1 157 . 1 . 1 77 77 GLN N N 15 115.091 0.10 . . . . . . . 76 GLN N . 51706 1 158 . 1 . 1 78 78 ASP H H 1 7.258 0.01 . . . . . . . 77 ASP HN . 51706 1 159 . 1 . 1 78 78 ASP C C 13 176.381 0.00 . . . . . . . 77 ASP C . 51706 1 160 . 1 . 1 78 78 ASP CA C 13 55.675 0.01 . . . . . . . 77 ASP CA . 51706 1 161 . 1 . 1 78 78 ASP CB C 13 38.978 0.00 . . . . . . . 77 ASP CB . 51706 1 162 . 1 . 1 78 78 ASP N N 15 116.956 0.05 . . . . . . . 77 ASP N . 51706 1 163 . 1 . 1 79 79 PHE H H 1 7.673 0.01 . . . . . . . 78 PHE HN . 51706 1 164 . 1 . 1 79 79 PHE CA C 13 58.251 0.00 . . . . . . . 78 PHE CA . 51706 1 165 . 1 . 1 79 79 PHE CB C 13 40.440 0.00 . . . . . . . 78 PHE CB . 51706 1 166 . 1 . 1 79 79 PHE N N 15 117.863 0.03 . . . . . . . 78 PHE N . 51706 1 167 . 1 . 1 81 81 THR CA C 13 63.063 0.00 . . . . . . . 80 THR CA . 51706 1 168 . 1 . 1 81 81 THR N N 15 117.918 0.00 . . . . . . . 80 THR N . 51706 1 169 . 1 . 1 83 83 LEU C C 13 175.040 0.00 . . . . . . . 82 LEU C . 51706 1 170 . 1 . 1 83 83 LEU CA C 13 54.864 0.00 . . . . . . . 82 LEU CA . 51706 1 171 . 1 . 1 83 83 LEU N N 15 121.582 0.00 . . . . . . . 82 LEU N . 51706 1 172 . 1 . 1 84 84 ARG H H 1 8.258 0.05 . . . . . . . 83 ARG HN . 51706 1 173 . 1 . 1 84 84 ARG C C 13 174.692 0.02 . . . . . . . 83 ARG C . 51706 1 174 . 1 . 1 84 84 ARG CA C 13 54.684 0.13 . . . . . . . 83 ARG CA . 51706 1 175 . 1 . 1 84 84 ARG CB C 13 33.284 0.00 . . . . . . . 83 ARG CB . 51706 1 176 . 1 . 1 84 84 ARG N N 15 121.091 0.06 . . . . . . . 83 ARG N . 51706 1 177 . 1 . 1 85 85 PHE H H 1 8.992 0.06 . . . . . . . 84 PHE HN . 51706 1 178 . 1 . 1 85 85 PHE C C 13 176.097 0.02 . . . . . . . 84 PHE C . 51706 1 179 . 1 . 1 85 85 PHE CA C 13 57.147 0.03 . . . . . . . 84 PHE CA . 51706 1 180 . 1 . 1 85 85 PHE CB C 13 43.012 0.00 . . . . . . . 84 PHE CB . 51706 1 181 . 1 . 1 85 85 PHE N N 15 119.053 0.09 . . . . . . . 84 PHE N . 51706 1 182 . 1 . 1 86 86 GLN H H 1 8.286 0.04 . . . . . . . 85 GLN HN . 51706 1 183 . 1 . 1 86 86 GLN C C 13 179.153 0.00 . . . . . . . 85 GLN C . 51706 1 184 . 1 . 1 86 86 GLN CA C 13 56.499 0.07 . . . . . . . 85 GLN CA . 51706 1 185 . 1 . 1 86 86 GLN CB C 13 29.621 0.00 . . . . . . . 85 GLN CB . 51706 1 186 . 1 . 1 86 86 GLN N N 15 119.453 0.08 . . . . . . . 85 GLN N . 51706 1 187 . 1 . 1 87 87 SER H H 1 9.514 0.03 . . . . . . . 86 SER HN . 51706 1 188 . 1 . 1 87 87 SER C C 13 178.794 0.00 . . . . . . . 86 SER C . 51706 1 189 . 1 . 1 87 87 SER CA C 13 62.146 0.03 . . . . . . . 86 SER CA . 51706 1 190 . 1 . 1 87 87 SER N N 15 124.001 0.12 . . . . . . . 86 SER N . 51706 1 191 . 1 . 1 88 88 SER H H 1 8.769 0.05 . . . . . . . 87 SER HN . 51706 1 192 . 1 . 1 88 88 SER C C 13 176.072 0.01 . . . . . . . 87 SER C . 51706 1 193 . 1 . 1 88 88 SER CA C 13 60.873 0.03 . . . . . . . 87 SER CA . 51706 1 194 . 1 . 1 88 88 SER CB C 13 63.365 0.00 . . . . . . . 87 SER CB . 51706 1 195 . 1 . 1 88 88 SER N N 15 115.069 0.06 . . . . . . . 87 SER N . 51706 1 196 . 1 . 1 89 89 ALA H H 1 7.338 0.06 . . . . . . . 88 ALA HN . 51706 1 197 . 1 . 1 89 89 ALA C C 13 179.035 0.03 . . . . . . . 88 ALA C . 51706 1 198 . 1 . 1 89 89 ALA CA C 13 55.623 0.06 . . . . . . . 88 ALA CA . 51706 1 199 . 1 . 1 89 89 ALA CB C 13 18.957 0.00 . . . . . . . 88 ALA CB . 51706 1 200 . 1 . 1 89 89 ALA N N 15 123.283 0.05 . . . . . . . 88 ALA N . 51706 1 201 . 1 . 1 90 90 VAL H H 1 7.204 0.02 . . . . . . . 89 VAL HN . 51706 1 202 . 1 . 1 90 90 VAL C C 13 178.046 0.00 . . . . . . . 89 VAL C . 51706 1 203 . 1 . 1 90 90 VAL CA C 13 66.956 0.03 . . . . . . . 89 VAL CA . 51706 1 204 . 1 . 1 90 90 VAL CB C 13 31.494 0.00 . . . . . . . 89 VAL CB . 51706 1 205 . 1 . 1 90 90 VAL N N 15 116.266 0.03 . . . . . . . 89 VAL N . 51706 1 206 . 1 . 1 91 91 MET H H 1 7.561 0.06 . . . . . . . 90 MET HN . 51706 1 207 . 1 . 1 91 91 MET C C 13 177.939 0.01 . . . . . . . 90 MET C . 51706 1 208 . 1 . 1 91 91 MET CA C 13 57.522 0.04 . . . . . . . 90 MET CA . 51706 1 209 . 1 . 1 91 91 MET CB C 13 31.621 0.00 . . . . . . . 90 MET CB . 51706 1 210 . 1 . 1 91 91 MET N N 15 117.433 0.06 . . . . . . . 90 MET N . 51706 1 211 . 1 . 1 92 92 ALA H H 1 7.953 0.06 . . . . . . . 91 ALA HN . 51706 1 212 . 1 . 1 92 92 ALA C C 13 179.259 0.00 . . . . . . . 91 ALA C . 51706 1 213 . 1 . 1 92 92 ALA CA C 13 55.194 0.03 . . . . . . . 91 ALA CA . 51706 1 214 . 1 . 1 92 92 ALA CB C 13 17.196 0.00 . . . . . . . 91 ALA CB . 51706 1 215 . 1 . 1 92 92 ALA N N 15 122.935 0.04 . . . . . . . 91 ALA N . 51706 1 216 . 1 . 1 93 93 LEU H H 1 7.713 0.04 . . . . . . . 92 LEU HN . 51706 1 217 . 1 . 1 93 93 LEU C C 13 179.812 0.02 . . . . . . . 92 LEU C . 51706 1 218 . 1 . 1 93 93 LEU CA C 13 57.937 0.03 . . . . . . . 92 LEU CA . 51706 1 219 . 1 . 1 93 93 LEU CB C 13 42.133 0.00 . . . . . . . 92 LEU CB . 51706 1 220 . 1 . 1 93 93 LEU N N 15 116.024 0.07 . . . . . . . 92 LEU N . 51706 1 221 . 1 . 1 94 94 GLN H H 1 8.844 0.04 . . . . . . . 93 GLN HN . 51706 1 222 . 1 . 1 94 94 GLN C C 13 178.331 0.00 . . . . . . . 93 GLN C . 51706 1 223 . 1 . 1 94 94 GLN CA C 13 60.996 0.03 . . . . . . . 93 GLN CA . 51706 1 224 . 1 . 1 94 94 GLN CB C 13 26.816 0.00 . . . . . . . 93 GLN CB . 51706 1 225 . 1 . 1 94 94 GLN N N 15 125.912 0.06 . . . . . . . 93 GLN N . 51706 1 226 . 1 . 1 95 95 GLU H H 1 8.807 0.05 . . . . . . . 94 GLU HN . 51706 1 227 . 1 . 1 95 95 GLU C C 13 180.626 0.01 . . . . . . . 94 GLU C . 51706 1 228 . 1 . 1 95 95 GLU CA C 13 59.804 0.04 . . . . . . . 94 GLU CA . 51706 1 229 . 1 . 1 95 95 GLU CB C 13 29.422 0.00 . . . . . . . 94 GLU CB . 51706 1 230 . 1 . 1 95 95 GLU N N 15 119.320 0.05 . . . . . . . 94 GLU N . 51706 1 231 . 1 . 1 96 96 ALA H H 1 8.422 0.03 . . . . . . . 95 ALA HN . 51706 1 232 . 1 . 1 96 96 ALA C C 13 180.582 0.02 . . . . . . . 95 ALA C . 51706 1 233 . 1 . 1 96 96 ALA CA C 13 55.419 0.09 . . . . . . . 95 ALA CA . 51706 1 234 . 1 . 1 96 96 ALA CB C 13 20.542 0.00 . . . . . . . 95 ALA CB . 51706 1 235 . 1 . 1 96 96 ALA N N 15 119.587 0.11 . . . . . . . 95 ALA N . 51706 1 236 . 1 . 1 97 97 SER H H 1 8.442 0.09 . . . . . . . 96 SER HN . 51706 1 237 . 1 . 1 97 97 SER C C 13 175.694 0.03 . . . . . . . 96 SER C . 51706 1 238 . 1 . 1 97 97 SER CA C 13 63.008 0.03 . . . . . . . 96 SER CA . 51706 1 239 . 1 . 1 97 97 SER N N 15 115.920 0.13 . . . . . . . 96 SER N . 51706 1 240 . 1 . 1 98 98 GLU H H 1 8.631 0.05 . . . . . . . 97 GLU HN . 51706 1 241 . 1 . 1 98 98 GLU C C 13 177.958 0.01 . . . . . . . 97 GLU C . 51706 1 242 . 1 . 1 98 98 GLU CA C 13 62.233 0.03 . . . . . . . 97 GLU CA . 51706 1 243 . 1 . 1 98 98 GLU CB C 13 28.203 0.00 . . . . . . . 97 GLU CB . 51706 1 244 . 1 . 1 98 98 GLU N N 15 121.574 0.09 . . . . . . . 97 GLU N . 51706 1 245 . 1 . 1 99 99 ALA H H 1 7.516 0.00 . . . . . . . 98 ALA HN . 51706 1 246 . 1 . 1 99 99 ALA C C 13 181.127 0.00 . . . . . . . 98 ALA C . 51706 1 247 . 1 . 1 99 99 ALA CA C 13 55.230 0.04 . . . . . . . 98 ALA CA . 51706 1 248 . 1 . 1 99 99 ALA CB C 13 18.996 0.00 . . . . . . . 98 ALA CB . 51706 1 249 . 1 . 1 99 99 ALA N N 15 119.257 0.07 . . . . . . . 98 ALA N . 51706 1 250 . 1 . 1 100 100 TYR H H 1 7.720 0.01 . . . . . . . 99 TYR HN . 51706 1 251 . 1 . 1 100 100 TYR C C 13 177.708 0.02 . . . . . . . 99 TYR C . 51706 1 252 . 1 . 1 100 100 TYR CA C 13 60.453 0.01 . . . . . . . 99 TYR CA . 51706 1 253 . 1 . 1 100 100 TYR CB C 13 38.065 0.00 . . . . . . . 99 TYR CB . 51706 1 254 . 1 . 1 100 100 TYR N N 15 118.950 0.09 . . . . . . . 99 TYR N . 51706 1 255 . 1 . 1 101 101 LEU H H 1 8.099 0.01 . . . . . . . 100 LEU HN . 51706 1 256 . 1 . 1 101 101 LEU C C 13 177.964 0.00 . . . . . . . 100 LEU C . 51706 1 257 . 1 . 1 101 101 LEU CA C 13 57.480 0.00 . . . . . . . 100 LEU CA . 51706 1 258 . 1 . 1 101 101 LEU CB C 13 42.111 0.00 . . . . . . . 100 LEU CB . 51706 1 259 . 1 . 1 101 101 LEU N N 15 119.476 0.04 . . . . . . . 100 LEU N . 51706 1 260 . 1 . 1 102 102 VAL H H 1 8.674 0.09 . . . . . . . 101 VAL HN . 51706 1 261 . 1 . 1 102 102 VAL C C 13 177.745 0.01 . . . . . . . 101 VAL C . 51706 1 262 . 1 . 1 102 102 VAL CA C 13 67.911 0.05 . . . . . . . 101 VAL CA . 51706 1 263 . 1 . 1 102 102 VAL CB C 13 31.945 0.00 . . . . . . . 101 VAL CB . 51706 1 264 . 1 . 1 102 102 VAL N N 15 119.613 0.13 . . . . . . . 101 VAL N . 51706 1 265 . 1 . 1 103 103 ALA H H 1 7.274 0.02 . . . . . . . 102 ALA HN . 51706 1 266 . 1 . 1 103 103 ALA C C 13 180.130 0.00 . . . . . . . 102 ALA C . 51706 1 267 . 1 . 1 103 103 ALA CA C 13 54.547 0.07 . . . . . . . 102 ALA CA . 51706 1 268 . 1 . 1 103 103 ALA CB C 13 18.126 0.00 . . . . . . . 102 ALA CB . 51706 1 269 . 1 . 1 103 103 ALA N N 15 119.865 0.14 . . . . . . . 102 ALA N . 51706 1 270 . 1 . 1 104 104 LEU H H 1 7.854 0.00 . . . . . . . 103 LEU HN . 51706 1 271 . 1 . 1 104 104 LEU C C 13 181.120 0.01 . . . . . . . 103 LEU C . 51706 1 272 . 1 . 1 104 104 LEU CA C 13 57.567 0.00 . . . . . . . 103 LEU CA . 51706 1 273 . 1 . 1 104 104 LEU CB C 13 40.590 0.00 . . . . . . . 103 LEU CB . 51706 1 274 . 1 . 1 104 104 LEU N N 15 120.433 0.04 . . . . . . . 103 LEU N . 51706 1 275 . 1 . 1 105 105 PHE H H 1 9.051 0.00 . . . . . . . 104 PHE HN . 51706 1 276 . 1 . 1 105 105 PHE C C 13 177.640 0.01 . . . . . . . 104 PHE C . 51706 1 277 . 1 . 1 105 105 PHE CA C 13 62.515 0.05 . . . . . . . 104 PHE CA . 51706 1 278 . 1 . 1 105 105 PHE CB C 13 37.706 0.00 . . . . . . . 104 PHE CB . 51706 1 279 . 1 . 1 105 105 PHE N N 15 124.061 0.02 . . . . . . . 104 PHE N . 51706 1 280 . 1 . 1 106 106 GLU H H 1 8.234 0.00 . . . . . . . 105 GLU HN . 51706 1 281 . 1 . 1 106 106 GLU C C 13 179.376 0.01 . . . . . . . 105 GLU C . 51706 1 282 . 1 . 1 106 106 GLU CA C 13 59.892 0.02 . . . . . . . 105 GLU CA . 51706 1 283 . 1 . 1 106 106 GLU CB C 13 28.914 0.00 . . . . . . . 105 GLU CB . 51706 1 284 . 1 . 1 106 106 GLU N N 15 121.666 0.03 . . . . . . . 105 GLU N . 51706 1 285 . 1 . 1 107 107 ASP H H 1 7.599 0.02 . . . . . . . 106 ASP HN . 51706 1 286 . 1 . 1 107 107 ASP C C 13 178.348 0.01 . . . . . . . 106 ASP C . 51706 1 287 . 1 . 1 107 107 ASP CA C 13 57.937 0.01 . . . . . . . 106 ASP CA . 51706 1 288 . 1 . 1 107 107 ASP CB C 13 41.578 0.00 . . . . . . . 106 ASP CB . 51706 1 289 . 1 . 1 107 107 ASP N N 15 120.888 0.05 . . . . . . . 106 ASP N . 51706 1 290 . 1 . 1 108 108 THR H H 1 8.740 0.02 . . . . . . . 107 THR HN . 51706 1 291 . 1 . 1 108 108 THR C C 13 176.800 0.56 . . . . . . . 107 THR C . 51706 1 292 . 1 . 1 108 108 THR CA C 13 67.894 0.00 . . . . . . . 107 THR CA . 51706 1 293 . 1 . 1 108 108 THR N N 15 119.457 0.11 . . . . . . . 107 THR N . 51706 1 294 . 1 . 1 109 109 ASN H H 1 8.503 0.00 . . . . . . . 108 ASN HN . 51706 1 295 . 1 . 1 109 109 ASN C C 13 177.657 0.00 . . . . . . . 108 ASN C . 51706 1 296 . 1 . 1 109 109 ASN CA C 13 55.617 0.00 . . . . . . . 108 ASN CA . 51706 1 297 . 1 . 1 109 109 ASN CB C 13 39.552 0.00 . . . . . . . 108 ASN CB . 51706 1 298 . 1 . 1 109 109 ASN N N 15 121.992 0.13 . . . . . . . 108 ASN N . 51706 1 299 . 1 . 1 110 110 LEU H H 1 7.516 0.01 . . . . . . . 109 LEU HN . 51706 1 300 . 1 . 1 110 110 LEU C C 13 181.035 0.08 . . . . . . . 109 LEU C . 51706 1 301 . 1 . 1 110 110 LEU CA C 13 58.119 0.02 . . . . . . . 109 LEU CA . 51706 1 302 . 1 . 1 110 110 LEU CB C 13 41.422 0.00 . . . . . . . 109 LEU CB . 51706 1 303 . 1 . 1 110 110 LEU N N 15 114.758 0.08 . . . . . . . 109 LEU N . 51706 1 304 . 1 . 1 111 111 CYS H H 1 7.680 0.04 . . . . . . . 110 CYS HN . 51706 1 305 . 1 . 1 111 111 CYS C C 13 176.060 0.00 . . . . . . . 110 CYS C . 51706 1 306 . 1 . 1 111 111 CYS CA C 13 64.622 0.10 . . . . . . . 110 CYS CA . 51706 1 307 . 1 . 1 111 111 CYS CB C 13 27.008 0.00 . . . . . . . 110 CYS CB . 51706 1 308 . 1 . 1 111 111 CYS N N 15 118.844 0.06 . . . . . . . 110 CYS N . 51706 1 309 . 1 . 1 112 112 ALA H H 1 8.029 0.06 . . . . . . . 111 ALA HN . 51706 1 310 . 1 . 1 112 112 ALA C C 13 179.914 0.01 . . . . . . . 111 ALA C . 51706 1 311 . 1 . 1 112 112 ALA CA C 13 56.207 0.06 . . . . . . . 111 ALA CA . 51706 1 312 . 1 . 1 112 112 ALA CB C 13 18.583 0.00 . . . . . . . 111 ALA CB . 51706 1 313 . 1 . 1 112 112 ALA N N 15 125.982 0.03 . . . . . . . 111 ALA N . 51706 1 314 . 1 . 1 113 113 ILE H H 1 8.301 0.04 . . . . . . . 112 ILE HN . 51706 1 315 . 1 . 1 113 113 ILE C C 13 181.567 0.01 . . . . . . . 112 ILE C . 51706 1 316 . 1 . 1 113 113 ILE CA C 13 64.437 0.02 . . . . . . . 112 ILE CA . 51706 1 317 . 1 . 1 113 113 ILE CB C 13 39.263 0.00 . . . . . . . 112 ILE CB . 51706 1 318 . 1 . 1 113 113 ILE N N 15 119.213 0.05 . . . . . . . 112 ILE N . 51706 1 319 . 1 . 1 114 114 HIS H H 1 8.302 0.00 . . . . . . . 113 HIS HN . 51706 1 320 . 1 . 1 114 114 HIS C C 13 175.675 0.01 . . . . . . . 113 HIS C . 51706 1 321 . 1 . 1 114 114 HIS CA C 13 59.951 0.09 . . . . . . . 113 HIS CA . 51706 1 322 . 1 . 1 114 114 HIS CB C 13 32.999 0.00 . . . . . . . 113 HIS CB . 51706 1 323 . 1 . 1 114 114 HIS N N 15 123.745 0.05 . . . . . . . 113 HIS N . 51706 1 324 . 1 . 1 115 115 ALA H H 1 7.211 0.04 . . . . . . . 114 ALA HN . 51706 1 325 . 1 . 1 115 115 ALA C C 13 175.042 0.00 . . . . . . . 114 ALA C . 51706 1 326 . 1 . 1 115 115 ALA CA C 13 51.161 0.00 . . . . . . . 114 ALA CA . 51706 1 327 . 1 . 1 115 115 ALA CB C 13 19.205 0.00 . . . . . . . 114 ALA CB . 51706 1 328 . 1 . 1 115 115 ALA N N 15 118.059 0.04 . . . . . . . 114 ALA N . 51706 1 329 . 1 . 1 116 116 LYS H H 1 8.188 0.01 . . . . . . . 115 LYS HN . 51706 1 330 . 1 . 1 116 116 LYS C C 13 175.264 0.01 . . . . . . . 115 LYS C . 51706 1 331 . 1 . 1 116 116 LYS CA C 13 57.311 0.07 . . . . . . . 115 LYS CA . 51706 1 332 . 1 . 1 116 116 LYS CB C 13 28.683 0.00 . . . . . . . 115 LYS CB . 51706 1 333 . 1 . 1 116 116 LYS N N 15 113.958 0.04 . . . . . . . 115 LYS N . 51706 1 334 . 1 . 1 117 117 ARG H H 1 7.920 0.01 . . . . . . . 116 ARG HN . 51706 1 335 . 1 . 1 117 117 ARG C C 13 175.534 0.00 . . . . . . . 116 ARG C . 51706 1 336 . 1 . 1 117 117 ARG CA C 13 55.197 0.06 . . . . . . . 116 ARG CA . 51706 1 337 . 1 . 1 117 117 ARG CB C 13 36.917 0.00 . . . . . . . 116 ARG CB . 51706 1 338 . 1 . 1 117 117 ARG N N 15 118.795 0.05 . . . . . . . 116 ARG N . 51706 1 339 . 1 . 1 118 118 VAL H H 1 8.128 0.04 . . . . . . . 117 VAL HN . 51706 1 340 . 1 . 1 118 118 VAL C C 13 173.898 0.03 . . . . . . . 117 VAL C . 51706 1 341 . 1 . 1 118 118 VAL CA C 13 60.825 0.02 . . . . . . . 117 VAL CA . 51706 1 342 . 1 . 1 118 118 VAL CB C 13 32.868 0.00 . . . . . . . 117 VAL CB . 51706 1 343 . 1 . 1 118 118 VAL N N 15 108.774 0.09 . . . . . . . 117 VAL N . 51706 1 344 . 1 . 1 119 119 THR H H 1 7.578 0.04 . . . . . . . 118 THR HN . 51706 1 345 . 1 . 1 119 119 THR C C 13 174.560 0.01 . . . . . . . 118 THR C . 51706 1 346 . 1 . 1 119 119 THR CA C 13 61.159 0.04 . . . . . . . 118 THR CA . 51706 1 347 . 1 . 1 119 119 THR CB C 13 70.566 0.00 . . . . . . . 118 THR CB . 51706 1 348 . 1 . 1 119 119 THR N N 15 119.738 0.05 . . . . . . . 118 THR N . 51706 1 349 . 1 . 1 120 120 ILE H H 1 7.909 0.05 . . . . . . . 119 ILE HN . 51706 1 350 . 1 . 1 120 120 ILE C C 13 175.366 0.00 . . . . . . . 119 ILE C . 51706 1 351 . 1 . 1 120 120 ILE CA C 13 61.034 0.02 . . . . . . . 119 ILE CA . 51706 1 352 . 1 . 1 120 120 ILE CB C 13 39.795 0.00 . . . . . . . 119 ILE CB . 51706 1 353 . 1 . 1 120 120 ILE N N 15 117.579 0.06 . . . . . . . 119 ILE N . 51706 1 354 . 1 . 1 121 121 MET H H 1 10.068 0.05 . . . . . . . 120 MET HN . 51706 1 355 . 1 . 1 121 121 MET C C 13 175.815 0.06 . . . . . . . 120 MET C . 51706 1 356 . 1 . 1 121 121 MET CA C 13 54.213 0.02 . . . . . . . 120 MET CA . 51706 1 357 . 1 . 1 121 121 MET CB C 13 34.792 0.00 . . . . . . . 120 MET CB . 51706 1 358 . 1 . 1 121 121 MET N N 15 122.708 0.05 . . . . . . . 120 MET N . 51706 1 359 . 1 . 1 122 122 PRO C C 13 177.435 0.00 . . . . . . . 121 PRO C . 51706 1 360 . 1 . 1 123 123 LYS H H 1 8.644 0.00 . . . . . . . 122 LYS HN . 51706 1 361 . 1 . 1 123 123 LYS C C 13 178.485 0.00 . . . . . . . 122 LYS C . 51706 1 362 . 1 . 1 123 123 LYS CA C 13 58.689 0.02 . . . . . . . 122 LYS CA . 51706 1 363 . 1 . 1 123 123 LYS CB C 13 31.391 0.00 . . . . . . . 122 LYS CB . 51706 1 364 . 1 . 1 123 123 LYS N N 15 112.293 0.18 . . . . . . . 122 LYS N . 51706 1 365 . 1 . 1 124 124 ASP H H 1 8.048 0.05 . . . . . . . 123 ASP HN . 51706 1 366 . 1 . 1 124 124 ASP C C 13 176.691 0.01 . . . . . . . 123 ASP C . 51706 1 367 . 1 . 1 124 124 ASP CA C 13 58.437 0.02 . . . . . . . 123 ASP CA . 51706 1 368 . 1 . 1 124 124 ASP CB C 13 43.459 0.00 . . . . . . . 123 ASP CB . 51706 1 369 . 1 . 1 124 124 ASP N N 15 122.222 0.05 . . . . . . . 123 ASP N . 51706 1 370 . 1 . 1 125 125 ILE H H 1 6.859 0.00 . . . . . . . 124 ILE HN . 51706 1 371 . 1 . 1 125 125 ILE C C 13 178.196 0.00 . . . . . . . 124 ILE C . 51706 1 372 . 1 . 1 125 125 ILE CA C 13 64.398 0.01 . . . . . . . 124 ILE CA . 51706 1 373 . 1 . 1 125 125 ILE CB C 13 38.072 0.00 . . . . . . . 124 ILE CB . 51706 1 374 . 1 . 1 125 125 ILE N N 15 119.490 0.06 . . . . . . . 124 ILE N . 51706 1 375 . 1 . 1 126 126 GLN H H 1 8.191 0.04 . . . . . . . 125 GLN HN . 51706 1 376 . 1 . 1 126 126 GLN C C 13 179.102 0.02 . . . . . . . 125 GLN C . 51706 1 377 . 1 . 1 126 126 GLN CA C 13 58.363 0.01 . . . . . . . 125 GLN CA . 51706 1 378 . 1 . 1 126 126 GLN CB C 13 27.741 0.00 . . . . . . . 125 GLN CB . 51706 1 379 . 1 . 1 126 126 GLN N N 15 116.709 0.08 . . . . . . . 125 GLN N . 51706 1 380 . 1 . 1 127 127 LEU H H 1 7.683 0.01 . . . . . . . 126 LEU HN . 51706 1 381 . 1 . 1 127 127 LEU C C 13 177.801 0.00 . . . . . . . 126 LEU C . 51706 1 382 . 1 . 1 127 127 LEU CA C 13 58.093 0.02 . . . . . . . 126 LEU CA . 51706 1 383 . 1 . 1 127 127 LEU CB C 13 40.485 0.00 . . . . . . . 126 LEU CB . 51706 1 384 . 1 . 1 127 127 LEU N N 15 121.751 0.04 . . . . . . . 126 LEU N . 51706 1 385 . 1 . 1 128 128 ALA H H 1 7.864 0.04 . . . . . . . 127 ALA HN . 51706 1 386 . 1 . 1 128 128 ALA C C 13 179.918 0.00 . . . . . . . 127 ALA C . 51706 1 387 . 1 . 1 128 128 ALA CA C 13 55.846 0.02 . . . . . . . 127 ALA CA . 51706 1 388 . 1 . 1 128 128 ALA CB C 13 17.770 0.00 . . . . . . . 127 ALA CB . 51706 1 389 . 1 . 1 128 128 ALA N N 15 120.247 0.07 . . . . . . . 127 ALA N . 51706 1 390 . 1 . 1 129 129 ARG H H 1 8.432 0.04 . . . . . . . 128 ARG HN . 51706 1 391 . 1 . 1 129 129 ARG C C 13 177.859 0.00 . . . . . . . 128 ARG C . 51706 1 392 . 1 . 1 129 129 ARG CA C 13 61.059 0.08 . . . . . . . 128 ARG CA . 51706 1 393 . 1 . 1 129 129 ARG CB C 13 30.017 0.00 . . . . . . . 128 ARG CB . 51706 1 394 . 1 . 1 129 129 ARG N N 15 114.061 0.09 . . . . . . . 128 ARG N . 51706 1 395 . 1 . 1 130 130 ARG H H 1 7.927 0.04 . . . . . . . 129 ARG HN . 51706 1 396 . 1 . 1 130 130 ARG C C 13 180.331 0.01 . . . . . . . 129 ARG C . 51706 1 397 . 1 . 1 130 130 ARG CA C 13 58.684 0.02 . . . . . . . 129 ARG CA . 51706 1 398 . 1 . 1 130 130 ARG CB C 13 29.772 0.00 . . . . . . . 129 ARG CB . 51706 1 399 . 1 . 1 130 130 ARG N N 15 120.841 0.12 . . . . . . . 129 ARG N . 51706 1 400 . 1 . 1 131 131 ILE H H 1 8.494 0.02 . . . . . . . 130 ILE HN . 51706 1 401 . 1 . 1 131 131 ILE C C 13 177.839 0.00 . . . . . . . 130 ILE C . 51706 1 402 . 1 . 1 131 131 ILE CA C 13 59.885 4.35 . . . . . . . 130 ILE CA . 51706 1 403 . 1 . 1 131 131 ILE CB C 13 36.853 0.00 . . . . . . . 130 ILE CB . 51706 1 404 . 1 . 1 131 131 ILE N N 15 121.893 0.09 . . . . . . . 130 ILE N . 51706 1 405 . 1 . 1 132 132 ARG H H 1 8.140 0.01 . . . . . . . 131 ARG HN . 51706 1 406 . 1 . 1 132 132 ARG CA C 13 58.292 0.16 . . . . . . . 131 ARG CA . 51706 1 407 . 1 . 1 132 132 ARG N N 15 117.613 0.15 . . . . . . . 131 ARG N . 51706 1 408 . 1 . 1 133 133 GLY H H 1 7.565 0.01 . . . . . . . 132 GLY HN . 51706 1 409 . 1 . 1 133 133 GLY CA C 13 45.693 0.03 . . . . . . . 132 GLY CA . 51706 1 410 . 1 . 1 133 133 GLY N N 15 106.185 0.05 . . . . . . . 132 GLY N . 51706 1 stop_ save_