################################### # 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 51416 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'BD1 chemical shifts' _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 CBCANH' . . . 51416 1 2 '3D CBCA(CO)NH' . . . 51416 1 3 '3D HN(CO)CA' . . . 51416 1 4 '3D HNCA' . . . 51416 1 5 '3D HNCO' . . . 51416 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 . . 51416 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 1 1 ASN H H 1 8.4665 . . 1 . . . . . 44 ASN H . 51416 1 2 . 1 . 1 1 1 ASN N N 15 121.4396 . . 1 . . . . . 44 ASN N . 51416 1 3 . 1 . 1 6 6 GLU H H 1 8.5738 . . 1 . . . . . 49 GLU H . 51416 1 4 . 1 . 1 6 6 GLU N N 15 121.2754 . . 1 . . . . . 49 GLU N . 51416 1 5 . 1 . 1 7 7 THR H H 1 8.2678 . . 1 . . . . . 50 THR H . 51416 1 6 . 1 . 1 7 7 THR N N 15 114.2745 . . 1 . . . . . 50 THR N . 51416 1 7 . 1 . 1 8 8 SER H H 1 8.1316 . . 1 . . . . . 51 SER H . 51416 1 8 . 1 . 1 8 8 SER N N 15 117.6205 . . 1 . . . . . 51 SER N . 51416 1 9 . 1 . 1 9 9 ASN H H 1 8.199 . . 1 . . . . . 52 ASN H . 51416 1 10 . 1 . 1 9 9 ASN N N 15 120.5041 . . 1 . . . . . 52 ASN N . 51416 1 11 . 1 . 1 11 11 ASN H H 1 8.3078 . . 1 . . . . . 54 ASN H . 51416 1 12 . 1 . 1 11 11 ASN N N 15 117.8135 . . 1 . . . . . 54 ASN N . 51416 1 13 . 1 . 1 12 12 LYS H H 1 7.8037 . . 1 . . . . . 55 LYS H . 51416 1 14 . 1 . 1 12 12 LYS N N 15 122.835 . . 1 . . . . . 55 LYS N . 51416 1 15 . 1 . 1 14 14 LYS H H 1 8.3759 . . 1 . . . . . 57 LYS H . 51416 1 16 . 1 . 1 14 14 LYS N N 15 121.9073 . . 1 . . . . . 57 LYS N . 51416 1 17 . 1 . 1 15 15 ARG H H 1 8.4512 . . 1 . . . . . 58 ARG H . 51416 1 18 . 1 . 1 15 15 ARG N N 15 123.4269 . . 1 . . . . . 58 ARG N . 51416 1 19 . 1 . 1 16 16 GLN H H 1 8.2905 . . 1 . . . . . 59 GLN H . 51416 1 20 . 1 . 1 16 16 GLN N N 15 124.6253 . . 1 . . . . . 59 GLN N . 51416 1 21 . 1 . 1 17 17 THR H H 1 7.7297 . . 1 . . . . . 60 THR H . 51416 1 22 . 1 . 1 17 17 THR N N 15 116.0476 . . 1 . . . . . 60 THR N . 51416 1 23 . 1 . 1 18 18 ASN H H 1 9.723 . . 1 . . . . . 61 ASN H . 51416 1 24 . 1 . 1 18 18 ASN N N 15 122.5995 . . 1 . . . . . 61 ASN N . 51416 1 25 . 1 . 1 19 19 GLN H H 1 8.7333 . . 1 . . . . . 62 GLN H . 51416 1 26 . 1 . 1 19 19 GLN N N 15 120.9555 . . 1 . . . . . 62 GLN N . 51416 1 27 . 1 . 1 21 21 GLN H H 1 8.5139 . . 1 . . . . . 64 GLN H . 51416 1 28 . 1 . 1 21 21 GLN N N 15 119.5657 . . 1 . . . . . 64 GLN N . 51416 1 29 . 1 . 1 22 22 TYR H H 1 7.8953 . . 1 . . . . . 65 TYR H . 51416 1 30 . 1 . 1 22 22 TYR N N 15 121.9134 . . 1 . . . . . 65 TYR N . 51416 1 31 . 1 . 1 23 23 LEU H H 1 8.5396 . . 1 . . . . . 66 LEU H . 51416 1 32 . 1 . 1 23 23 LEU N N 15 121.9156 . . 1 . . . . . 66 LEU N . 51416 1 33 . 1 . 1 24 24 LEU H H 1 7.8877 . . 1 . . . . . 67 LEU H . 51416 1 34 . 1 . 1 24 24 LEU N N 15 118.683 . . 1 . . . . . 67 LEU N . 51416 1 35 . 1 . 1 25 25 ARG H H 1 8.876 . . 1 . . . . . 68 ARG H . 51416 1 36 . 1 . 1 25 25 ARG N N 15 115.5446 . . 1 . . . . . 68 ARG N . 51416 1 37 . 1 . 1 26 26 VAL H H 1 8.0782 . . 1 . . . . . 69 VAL H . 51416 1 38 . 1 . 1 26 26 VAL N N 15 115.6312 . . 1 . . . . . 69 VAL N . 51416 1 39 . 1 . 1 27 27 VAL H H 1 7.4822 . . 1 . . . . . 70 VAL H . 51416 1 40 . 1 . 1 27 27 VAL N N 15 120.583 . . 1 . . . . . 70 VAL N . 51416 1 41 . 1 . 1 28 28 LEU H H 1 9.444 . . 1 . . . . . 71 LEU H . 51416 1 42 . 1 . 1 28 28 LEU N N 15 120.0805 . . 1 . . . . . 71 LEU N . 51416 1 43 . 1 . 1 29 29 LYS H H 1 6.5312 . . 1 . . . . . 72 LYS H . 51416 1 44 . 1 . 1 29 29 LYS N N 15 115.5725 . . 1 . . . . . 72 LYS N . 51416 1 45 . 1 . 1 30 30 THR H H 1 7.35 . . 1 . . . . . 73 THR H . 51416 1 46 . 1 . 1 30 30 THR N N 15 112.727 . . 1 . . . . . 73 THR N . 51416 1 47 . 1 . 1 31 31 LEU H H 1 8.0571 . . 1 . . . . . 74 LEU H . 51416 1 48 . 1 . 1 31 31 LEU N N 15 121.7659 . . 1 . . . . . 74 LEU N . 51416 1 49 . 1 . 1 32 32 TRP H H 1 9.1634 . . 1 . . . . . 75 TRP H . 51416 1 50 . 1 . 1 32 32 TRP N N 15 117.278 . . 1 . . . . . 75 TRP N . 51416 1 51 . 1 . 1 33 33 LYS H H 1 7.0537 . . 1 . . . . . 76 LYS H . 51416 1 52 . 1 . 1 33 33 LYS N N 15 109.7526 . . 1 . . . . . 76 LYS N . 51416 1 53 . 1 . 1 34 34 HIS H H 1 7.6049 . . 1 . . . . . 77 HIS H . 51416 1 54 . 1 . 1 34 34 HIS N N 15 123.9426 . . 1 . . . . . 77 HIS N . 51416 1 55 . 1 . 1 35 35 GLN H H 1 8.3655 . . 1 . . . . . 78 GLN H . 51416 1 56 . 1 . 1 35 35 GLN N N 15 128.6678 . . 1 . . . . . 78 GLN N . 51416 1 57 . 1 . 1 36 36 PHE H H 1 11.4893 . . 1 . . . . . 79 PHE H . 51416 1 58 . 1 . 1 36 36 PHE N N 15 122.122 . . 1 . . . . . 79 PHE N . 51416 1 59 . 1 . 1 37 37 ALA H H 1 8.0023 . . 1 . . . . . 80 ALA H . 51416 1 60 . 1 . 1 37 37 ALA N N 15 117.1523 . . 1 . . . . . 80 ALA N . 51416 1 61 . 1 . 1 38 38 TRP H H 1 7.5433 . . 1 . . . . . 81 TRP H . 51416 1 62 . 1 . 1 38 38 TRP N N 15 116.3419 . . 1 . . . . . 81 TRP N . 51416 1 63 . 1 . 1 40 40 PHE H H 1 7.8871 . . 1 . . . . . 83 PHE H . 51416 1 64 . 1 . 1 40 40 PHE N N 15 112.3683 . . 1 . . . . . 83 PHE N . 51416 1 65 . 1 . 1 42 42 GLN H H 1 7.3759 . . 1 . . . . . 85 GLN H . 51416 1 66 . 1 . 1 42 42 GLN N N 15 113.8827 . . 1 . . . . . 85 GLN N . 51416 1 67 . 1 . 1 44 44 VAL H H 1 8.5067 . . 1 . . . . . 87 VAL H . 51416 1 68 . 1 . 1 44 44 VAL N N 15 124.867 . . 1 . . . . . 87 VAL N . 51416 1 69 . 1 . 1 45 45 ASP H H 1 8.1446 . . 1 . . . . . 88 ASP H . 51416 1 70 . 1 . 1 45 45 ASP N N 15 130.0236 . . 1 . . . . . 88 ASP N . 51416 1 71 . 1 . 1 46 46 ALA H H 1 8.1218 . . 1 . . . . . 89 ALA H . 51416 1 72 . 1 . 1 46 46 ALA N N 15 125.9212 . . 1 . . . . . 89 ALA N . 51416 1 73 . 1 . 1 47 47 VAL H H 1 7.9198 . . 1 . . . . . 90 VAL H . 51416 1 74 . 1 . 1 47 47 VAL N N 15 118.5393 . . 1 . . . . . 90 VAL N . 51416 1 75 . 1 . 1 48 48 LYS H H 1 7.8625 . . 1 . . . . . 91 LYS H . 51416 1 76 . 1 . 1 48 48 LYS N N 15 122.9315 . . 1 . . . . . 91 LYS N . 51416 1 77 . 1 . 1 49 49 LEU H H 1 7.7949 . . 1 . . . . . 92 LEU H . 51416 1 78 . 1 . 1 49 49 LEU N N 15 114.9475 . . 1 . . . . . 92 LEU N . 51416 1 79 . 1 . 1 50 50 ASN H H 1 7.5235 . . 1 . . . . . 93 ASN H . 51416 1 80 . 1 . 1 50 50 ASN N N 15 116.9999 . . 1 . . . . . 93 ASN N . 51416 1 81 . 1 . 1 51 51 LEU H H 1 8.2199 . . 1 . . . . . 94 LEU H . 51416 1 82 . 1 . 1 51 51 LEU N N 15 118.8774 . . 1 . . . . . 94 LEU N . 51416 1 83 . 1 . 1 53 53 ASP H H 1 8.6696 . . 1 . . . . . 96 ASP H . 51416 1 84 . 1 . 1 53 53 ASP N N 15 116.9419 . . 1 . . . . . 96 ASP N . 51416 1 85 . 1 . 1 54 54 TYR H H 1 7.6304 . . 1 . . . . . 97 TYR H . 51416 1 86 . 1 . 1 54 54 TYR N N 15 123.2227 . . 1 . . . . . 97 TYR N . 51416 1 87 . 1 . 1 55 55 TYR H H 1 8.2933 . . 1 . . . . . 98 TYR H . 51416 1 88 . 1 . 1 55 55 TYR N N 15 112.4901 . . 1 . . . . . 98 TYR N . 51416 1 89 . 1 . 1 56 56 LYS H H 1 7.3227 . . 1 . . . . . 99 LYS H . 51416 1 90 . 1 . 1 56 56 LYS N N 15 118.4955 . . 1 . . . . . 99 LYS N . 51416 1 91 . 1 . 1 57 57 ILE H H 1 7.2528 . . 1 . . . . . 100 ILE H . 51416 1 92 . 1 . 1 57 57 ILE N N 15 119.0178 . . 1 . . . . . 100 ILE N . 51416 1 93 . 1 . 1 58 58 ILE H H 1 8.2109 . . 1 . . . . . 101 ILE H . 51416 1 94 . 1 . 1 58 58 ILE N N 15 122.0006 . . 1 . . . . . 101 ILE N . 51416 1 95 . 1 . 1 59 59 LYS H H 1 7.7737 . . 1 . . . . . 102 LYS H . 51416 1 96 . 1 . 1 59 59 LYS N N 15 125.1637 . . 1 . . . . . 102 LYS N . 51416 1 97 . 1 . 1 60 60 THR H H 1 8.2553 . . 1 . . . . . 103 THR H . 51416 1 98 . 1 . 1 60 60 THR N N 15 112.7815 . . 1 . . . . . 103 THR N . 51416 1 99 . 1 . 1 62 62 MET H H 1 7.9967 . . 1 . . . . . 105 MET H . 51416 1 100 . 1 . 1 62 62 MET N N 15 119.0537 . . 1 . . . . . 105 MET N . 51416 1 101 . 1 . 1 63 63 ASP H H 1 7.265 . . 1 . . . . . 106 ASP H . 51416 1 102 . 1 . 1 63 63 ASP N N 15 120.1119 . . 1 . . . . . 106 ASP N . 51416 1 103 . 1 . 1 64 64 MET H H 1 9.1519 . . 1 . . . . . 107 MET H . 51416 1 104 . 1 . 1 64 64 MET N N 15 119.1536 . . 1 . . . . . 107 MET N . 51416 1 105 . 1 . 1 65 65 GLY H H 1 8.7155 . . 1 . . . . . 108 GLY H . 51416 1 106 . 1 . 1 65 65 GLY N N 15 113.1006 . . 1 . . . . . 108 GLY N . 51416 1 107 . 1 . 1 66 66 THR H H 1 8.2544 . . 1 . . . . . 109 THR H . 51416 1 108 . 1 . 1 66 66 THR N N 15 124.6248 . . 1 . . . . . 109 THR N . 51416 1 109 . 1 . 1 67 67 ILE H H 1 7.2724 . . 1 . . . . . 110 ILE H . 51416 1 110 . 1 . 1 67 67 ILE N N 15 122.3938 . . 1 . . . . . 110 ILE N . 51416 1 111 . 1 . 1 68 68 LYS H H 1 8.4692 . . 1 . . . . . 111 LYS H . 51416 1 112 . 1 . 1 68 68 LYS N N 15 120.4028 . . 1 . . . . . 111 LYS N . 51416 1 113 . 1 . 1 69 69 LYS H H 1 7.7782 . . 1 . . . . . 112 LYS H . 51416 1 114 . 1 . 1 69 69 LYS N N 15 117.9238 . . 1 . . . . . 112 LYS N . 51416 1 115 . 1 . 1 70 70 ARG H H 1 8.2794 . . 1 . . . . . 113 ARG H . 51416 1 116 . 1 . 1 70 70 ARG N N 15 120.3727 . . 1 . . . . . 113 ARG N . 51416 1 117 . 1 . 1 71 71 LEU H H 1 8.8258 . . 1 . . . . . 114 LEU H . 51416 1 118 . 1 . 1 71 71 LEU N N 15 121.514 . . 1 . . . . . 114 LEU N . 51416 1 119 . 1 . 1 72 72 GLU H H 1 8.6596 . . 1 . . . . . 115 GLU H . 51416 1 120 . 1 . 1 72 72 GLU N N 15 119.587 . . 1 . . . . . 115 GLU N . 51416 1 121 . 1 . 1 73 73 ASN H H 1 7.9293 . . 1 . . . . . 116 ASN H . 51416 1 122 . 1 . 1 73 73 ASN N N 15 115.1714 . . 1 . . . . . 116 ASN N . 51416 1 123 . 1 . 1 74 74 ASN H H 1 7.8399 . . 1 . . . . . 117 ASN H . 51416 1 124 . 1 . 1 74 74 ASN N N 15 115.7162 . . 1 . . . . . 117 ASN N . 51416 1 125 . 1 . 1 75 75 TYR H H 1 8.424 . . 1 . . . . . 118 TYR H . 51416 1 126 . 1 . 1 75 75 TYR N N 15 117.4288 . . 1 . . . . . 118 TYR N . 51416 1 127 . 1 . 1 76 76 TYR H H 1 7.722 . . 1 . . . . . 119 TYR H . 51416 1 128 . 1 . 1 76 76 TYR N N 15 115.1079 . . 1 . . . . . 119 TYR N . 51416 1 129 . 1 . 1 77 77 TRP H H 1 9.7903 . . 1 . . . . . 120 TRP H . 51416 1 130 . 1 . 1 77 77 TRP N N 15 122.5331 . . 1 . . . . . 120 TRP N . 51416 1 131 . 1 . 1 78 78 ASN H H 1 7.8996 . . 1 . . . . . 121 ASN H . 51416 1 132 . 1 . 1 78 78 ASN N N 15 112.5797 . . 1 . . . . . 121 ASN N . 51416 1 133 . 1 . 1 79 79 ALA H H 1 8.951 . . 1 . . . . . 122 ALA H . 51416 1 134 . 1 . 1 79 79 ALA N N 15 121.4227 . . 1 . . . . . 122 ALA N . 51416 1 135 . 1 . 1 80 80 GLN H H 1 8.6651 . . 1 . . . . . 123 GLN H . 51416 1 136 . 1 . 1 80 80 GLN N N 15 118.3546 . . 1 . . . . . 123 GLN N . 51416 1 137 . 1 . 1 81 81 GLU H H 1 7.8304 . . 1 . . . . . 124 GLU H . 51416 1 138 . 1 . 1 81 81 GLU N N 15 118.8796 . . 1 . . . . . 124 GLU N . 51416 1 139 . 1 . 1 82 82 CYS H H 1 6.578 . . 1 . . . . . 125 CYS H . 51416 1 140 . 1 . 1 82 82 CYS N N 15 119.0898 . . 1 . . . . . 125 CYS N . 51416 1 141 . 1 . 1 83 83 ILE H H 1 8.498 . . 1 . . . . . 126 ILE H . 51416 1 142 . 1 . 1 83 83 ILE N N 15 121.1179 . . 1 . . . . . 126 ILE N . 51416 1 143 . 1 . 1 84 84 GLN H H 1 8.3464 . . 1 . . . . . 127 GLN H . 51416 1 144 . 1 . 1 84 84 GLN N N 15 118.1942 . . 1 . . . . . 127 GLN N . 51416 1 145 . 1 . 1 85 85 ASP H H 1 7.4904 . . 1 . . . . . 128 ASP H . 51416 1 146 . 1 . 1 85 85 ASP N N 15 122.3583 . . 1 . . . . . 128 ASP N . 51416 1 147 . 1 . 1 86 86 PHE H H 1 7.9984 . . 1 . . . . . 129 PHE H . 51416 1 148 . 1 . 1 86 86 PHE N N 15 120.2824 . . 1 . . . . . 129 PHE N . 51416 1 149 . 1 . 1 87 87 ASN H H 1 8.5124 . . 1 . . . . . 130 ASN H . 51416 1 150 . 1 . 1 87 87 ASN N N 15 116.4421 . . 1 . . . . . 130 ASN N . 51416 1 151 . 1 . 1 88 88 THR H H 1 8.9138 . . 1 . . . . . 131 THR H . 51416 1 152 . 1 . 1 88 88 THR N N 15 121.532 . . 1 . . . . . 131 THR N . 51416 1 153 . 1 . 1 89 89 MET H H 1 7.5773 . . 1 . . . . . 132 MET H . 51416 1 154 . 1 . 1 89 89 MET N N 15 120.8558 . . 1 . . . . . 132 MET N . 51416 1 155 . 1 . 1 90 90 PHE H H 1 7.7438 . . 1 . . . . . 133 PHE H . 51416 1 156 . 1 . 1 90 90 PHE N N 15 117.31 . . 1 . . . . . 133 PHE N . 51416 1 157 . 1 . 1 91 91 THR H H 1 8.6395 . . 1 . . . . . 134 THR H . 51416 1 158 . 1 . 1 91 91 THR N N 15 113.5898 . . 1 . . . . . 134 THR N . 51416 1 159 . 1 . 1 92 92 ASN H H 1 8.7228 . . 1 . . . . . 135 ASN H . 51416 1 160 . 1 . 1 92 92 ASN N N 15 119.7126 . . 1 . . . . . 135 ASN N . 51416 1 161 . 1 . 1 93 93 CYS H H 1 7.002 . . 1 . . . . . 136 CYS H . 51416 1 162 . 1 . 1 93 93 CYS N N 15 118.6382 . . 1 . . . . . 136 CYS N . 51416 1 163 . 1 . 1 94 94 TYR H H 1 7.5418 . . 1 . . . . . 137 TYR H . 51416 1 164 . 1 . 1 94 94 TYR N N 15 118.8066 . . 1 . . . . . 137 TYR N . 51416 1 165 . 1 . 1 95 95 ILE H H 1 8.5702 . . 1 . . . . . 138 ILE H . 51416 1 166 . 1 . 1 95 95 ILE N N 15 117.0116 . . 1 . . . . . 138 ILE N . 51416 1 167 . 1 . 1 96 96 TYR H H 1 7.9181 . . 1 . . . . . 139 TYR H . 51416 1 168 . 1 . 1 96 96 TYR N N 15 118.7263 . . 1 . . . . . 139 TYR N . 51416 1 169 . 1 . 1 97 97 ASN H H 1 7.5286 . . 1 . . . . . 140 ASN H . 51416 1 170 . 1 . 1 97 97 ASN N N 15 114.6456 . . 1 . . . . . 140 ASN N . 51416 1 171 . 1 . 1 98 98 LYS H H 1 8.4974 . . 1 . . . . . 141 LYS H . 51416 1 172 . 1 . 1 98 98 LYS N N 15 120.6889 . . 1 . . . . . 141 LYS N . 51416 1 173 . 1 . 1 100 100 GLY H H 1 8.403 . . 1 . . . . . 143 GLY H . 51416 1 174 . 1 . 1 100 100 GLY N N 15 110.2447 . . 1 . . . . . 143 GLY N . 51416 1 175 . 1 . 1 101 101 ASP H H 1 7.9762 . . 1 . . . . . 144 ASP H . 51416 1 176 . 1 . 1 101 101 ASP N N 15 122.2076 . . 1 . . . . . 144 ASP N . 51416 1 177 . 1 . 1 102 102 ASP H H 1 8.8793 . . 1 . . . . . 145 ASP H . 51416 1 178 . 1 . 1 102 102 ASP N N 15 124.3563 . . 1 . . . . . 145 ASP N . 51416 1 179 . 1 . 1 103 103 ILE H H 1 8.679 . . 1 . . . . . 146 ILE H . 51416 1 180 . 1 . 1 103 103 ILE N N 15 117.2849 . . 1 . . . . . 146 ILE N . 51416 1 181 . 1 . 1 104 104 VAL H H 1 6.9522 . . 1 . . . . . 147 VAL H . 51416 1 182 . 1 . 1 104 104 VAL N N 15 123.1073 . . 1 . . . . . 147 VAL N . 51416 1 183 . 1 . 1 105 105 LEU H H 1 7.562 . . 1 . . . . . 148 LEU H . 51416 1 184 . 1 . 1 105 105 LEU N N 15 120.4643 . . 1 . . . . . 148 LEU N . 51416 1 185 . 1 . 1 106 106 MET H H 1 7.9531 . . 1 . . . . . 149 MET H . 51416 1 186 . 1 . 1 106 106 MET N N 15 119.6607 . . 1 . . . . . 149 MET N . 51416 1 187 . 1 . 1 107 107 ALA H H 1 8.4029 . . 1 . . . . . 150 ALA H . 51416 1 188 . 1 . 1 107 107 ALA N N 15 122.2776 . . 1 . . . . . 150 ALA N . 51416 1 189 . 1 . 1 108 108 GLU H H 1 8.9181 . . 1 . . . . . 151 GLU H . 51416 1 190 . 1 . 1 108 108 GLU N N 15 117.0221 . . 1 . . . . . 151 GLU N . 51416 1 191 . 1 . 1 109 109 ALA H H 1 7.6314 . . 1 . . . . . 152 ALA H . 51416 1 192 . 1 . 1 109 109 ALA N N 15 121.7521 . . 1 . . . . . 152 ALA N . 51416 1 193 . 1 . 1 110 110 LEU H H 1 8.0305 . . 1 . . . . . 153 LEU H . 51416 1 194 . 1 . 1 110 110 LEU N N 15 120.6724 . . 1 . . . . . 153 LEU N . 51416 1 195 . 1 . 1 111 111 GLU H H 1 9.0213 . . 1 . . . . . 154 GLU H . 51416 1 196 . 1 . 1 111 111 GLU N N 15 122.6761 . . 1 . . . . . 154 GLU N . 51416 1 197 . 1 . 1 112 112 LYS H H 1 7.8037 . . 1 . . . . . 155 LYS H . 51416 1 198 . 1 . 1 112 112 LYS N N 15 118.58 . . 1 . . . . . 155 LYS N . 51416 1 199 . 1 . 1 113 113 LEU H H 1 7.18 . . 1 . . . . . 156 LEU H . 51416 1 200 . 1 . 1 113 113 LEU N N 15 121.0077 . . 1 . . . . . 156 LEU N . 51416 1 201 . 1 . 1 114 114 PHE H H 1 8.7949 . . 1 . . . . . 157 PHE H . 51416 1 202 . 1 . 1 114 114 PHE N N 15 121.2661 . . 1 . . . . . 157 PHE N . 51416 1 203 . 1 . 1 115 115 LEU H H 1 8.7119 . . 1 . . . . . 158 LEU H . 51416 1 204 . 1 . 1 115 115 LEU N N 15 118.6334 . . 1 . . . . . 158 LEU N . 51416 1 205 . 1 . 1 116 116 GLN H H 1 7.621 . . 1 . . . . . 159 GLN H . 51416 1 206 . 1 . 1 116 116 GLN N N 15 118.5817 . . 1 . . . . . 159 GLN N . 51416 1 207 . 1 . 1 117 117 LYS H H 1 8.0609 . . 1 . . . . . 160 LYS H . 51416 1 208 . 1 . 1 117 117 LYS N N 15 115.8757 . . 1 . . . . . 160 LYS N . 51416 1 209 . 1 . 1 118 118 ILE H H 1 8.519 . . 1 . . . . . 161 ILE H . 51416 1 210 . 1 . 1 118 118 ILE N N 15 118.5615 . . 1 . . . . . 161 ILE N . 51416 1 211 . 1 . 1 119 119 ASN H H 1 7.4645 . . 1 . . . . . 162 ASN H . 51416 1 212 . 1 . 1 119 119 ASN N N 15 121.2379 . . 1 . . . . . 162 ASN N . 51416 1 213 . 1 . 1 120 120 GLU H H 1 7.0041 . . 1 . . . . . 163 GLU H . 51416 1 214 . 1 . 1 120 120 GLU N N 15 116.3851 . . 1 . . . . . 163 GLU N . 51416 1 215 . 1 . 1 121 121 LEU H H 1 6.9037 . . 1 . . . . . 164 LEU H . 51416 1 216 . 1 . 1 121 121 LEU N N 15 121.3796 . . 1 . . . . . 164 LEU N . 51416 1 217 . 1 . 1 123 123 THR H H 1 8.1155 . . 1 . . . . . 166 THR H . 51416 1 218 . 1 . 1 123 123 THR N N 15 113.8842 . . 1 . . . . . 166 THR N . 51416 1 219 . 1 . 1 124 124 GLU H H 1 8.3799 . . 1 . . . . . 167 GLU H . 51416 1 220 . 1 . 1 124 124 GLU N N 15 124.0931 . . 1 . . . . . 167 GLU N . 51416 1 221 . 1 . 1 125 125 GLU H H 1 8.2221 . . 1 . . . . . 168 GLU H . 51416 1 222 . 1 . 1 125 125 GLU N N 15 128.2333 . . 1 . . . . . 168 GLU N . 51416 1 stop_ save_