################################### # 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 51654 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 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 . _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' . . . 51654 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 . . 51654 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 6 6 LYS H H 1 8.258 0.000 . 1 . . . . . 6 K HN . 51654 1 2 . 1 . 1 6 6 LYS N N 15 120.554 0.000 . 1 . . . . . 6 K N . 51654 1 3 . 1 . 1 7 7 ALA H H 1 8.477 0.000 . 1 . . . . . 7 A HN . 51654 1 4 . 1 . 1 7 7 ALA N N 15 125.061 0.000 . 1 . . . . . 7 A N . 51654 1 5 . 1 . 1 8 8 GLU H H 1 8.467 0.000 . 1 . . . . . 8 E HN . 51654 1 6 . 1 . 1 8 8 GLU N N 15 120.065 0.000 . 1 . . . . . 8 E N . 51654 1 7 . 1 . 1 9 9 LYS H H 1 8.375 0.000 . 1 . . . . . 9 K HN . 51654 1 8 . 1 . 1 9 9 LYS N N 15 121.149 0.000 . 1 . . . . . 9 K N . 51654 1 9 . 1 . 1 10 10 GLU H H 1 8.540 0.000 . 1 . . . . . 10 E HN . 51654 1 10 . 1 . 1 10 10 GLU N N 15 121.471 0.000 . 1 . . . . . 10 E N . 51654 1 11 . 1 . 1 11 11 ASN H H 1 8.606 0.000 . 1 . . . . . 11 N HN . 51654 1 12 . 1 . 1 11 11 ASN N N 15 119.682 0.000 . 1 . . . . . 11 N N . 51654 1 13 . 1 . 1 12 12 THR H H 1 8.246 0.000 . 1 . . . . . 12 T HN . 51654 1 14 . 1 . 1 12 12 THR N N 15 116.666 0.000 . 1 . . . . . 12 T N . 51654 1 15 . 1 . 1 14 14 SER H H 1 8.521 0.000 . 1 . . . . . 14 S HN . 51654 1 16 . 1 . 1 14 14 SER N N 15 115.998 0.000 . 1 . . . . . 14 S N . 51654 1 17 . 1 . 1 15 15 GLU H H 1 8.555 0.000 . 1 . . . . . 15 E HN . 51654 1 18 . 1 . 1 15 15 GLU N N 15 122.387 0.000 . 1 . . . . . 15 E N . 51654 1 19 . 1 . 1 16 16 ALA H H 1 8.326 0.000 . 1 . . . . . 16 A HN . 51654 1 20 . 1 . 1 16 16 ALA N N 15 123.975 0.000 . 1 . . . . . 16 A N . 51654 1 21 . 1 . 1 17 17 ASN H H 1 8.438 0.000 . 1 . . . . . 17 N HN . 51654 1 22 . 1 . 1 17 17 ASN N N 15 117.344 0.000 . 1 . . . . . 17 N N . 51654 1 23 . 1 . 1 18 18 LEU H H 1 8.258 0.000 . 1 . . . . . 18 L HN . 51654 1 24 . 1 . 1 18 18 LEU N N 15 122.241 0.000 . 1 . . . . . 18 L N . 51654 1 25 . 1 . 1 19 19 GLN H H 1 8.440 0.000 . 1 . . . . . 19 Q HN . 51654 1 26 . 1 . 1 19 19 GLN N N 15 120.375 0.000 . 1 . . . . . 19 Q N . 51654 1 27 . 1 . 1 20 20 GLU H H 1 8.459 0.000 . 1 . . . . . 20 E HN . 51654 1 28 . 1 . 1 20 20 GLU N N 15 121.822 0.000 . 1 . . . . . 20 E N . 51654 1 29 . 1 . 1 21 21 GLU H H 1 8.430 0.000 . 1 . . . . . 21 E HN . 51654 1 30 . 1 . 1 21 21 GLU N N 15 121.082 0.000 . 1 . . . . . 21 E N . 51654 1 31 . 1 . 1 22 22 GLU H H 1 8.516 0.000 . 1 . . . . . 22 E HN . 51654 1 32 . 1 . 1 22 22 GLU N N 15 122.170 0.000 . 1 . . . . . 22 E N . 51654 1 33 . 1 . 1 23 23 VAL H H 1 8.677 0.000 . 1 . . . . . 23 V HN . 51654 1 34 . 1 . 1 23 23 VAL N N 15 125.230 0.000 . 1 . . . . . 23 V N . 51654 1 35 . 1 . 1 24 24 ARG H H 1 9.453 0.000 . 1 . . . . . 24 R HN . 51654 1 36 . 1 . 1 24 24 ARG N N 15 124.340 0.000 . 1 . . . . . 24 R N . 51654 1 37 . 1 . 1 25 25 THR H H 1 7.324 0.000 . 1 . . . . . 25 T HN . 51654 1 38 . 1 . 1 25 25 THR N N 15 114.799 0.000 . 1 . . . . . 25 T N . 51654 1 39 . 1 . 1 26 26 LEU H H 1 9.799 0.000 . 1 . . . . . 26 L HN . 51654 1 40 . 1 . 1 26 26 LEU N N 15 124.220 0.000 . 1 . . . . . 26 L N . 51654 1 41 . 1 . 1 27 27 PHE H H 1 9.592 0.000 . 1 . . . . . 27 F HN . 51654 1 42 . 1 . 1 27 27 PHE N N 15 122.600 0.000 . 1 . . . . . 27 F N . 51654 1 43 . 1 . 1 28 28 VAL H H 1 9.007 0.000 . 1 . . . . . 28 V HN . 51654 1 44 . 1 . 1 28 28 VAL N N 15 126.891 0.000 . 1 . . . . . 28 V N . 51654 1 45 . 1 . 1 29 29 SER H H 1 9.085 0.000 . 1 . . . . . 29 S HN . 51654 1 46 . 1 . 1 29 29 SER N N 15 119.861 0.000 . 1 . . . . . 29 S N . 51654 1 47 . 1 . 1 30 30 GLY H H 1 8.775 0.000 . 1 . . . . . 30 G HN . 51654 1 48 . 1 . 1 30 30 GLY N N 15 108.479 0.000 . 1 . . . . . 30 G N . 51654 1 49 . 1 . 1 31 31 LEU H H 1 7.582 0.000 . 1 . . . . . 31 L HN . 51654 1 50 . 1 . 1 31 31 LEU N N 15 118.823 0.000 . 1 . . . . . 31 L N . 51654 1 51 . 1 . 1 33 33 LEU H H 1 8.490 0.000 . 1 . . . . . 33 L HN . 51654 1 52 . 1 . 1 33 33 LEU N N 15 117.560 0.000 . 1 . . . . . 33 L N . 51654 1 53 . 1 . 1 34 34 ASP H H 1 8.007 0.000 . 1 . . . . . 34 D HN . 51654 1 54 . 1 . 1 34 34 ASP N N 15 114.271 0.000 . 1 . . . . . 34 D N . 51654 1 55 . 1 . 1 35 35 ILE H H 1 7.167 0.000 . 1 . . . . . 35 I HN . 51654 1 56 . 1 . 1 35 35 ILE N N 15 118.745 0.000 . 1 . . . . . 35 I N . 51654 1 57 . 1 . 1 36 36 LYS H H 1 9.086 0.000 . 1 . . . . . 36 K HN . 51654 1 58 . 1 . 1 36 36 LYS N N 15 126.318 0.000 . 1 . . . . . 36 K N . 51654 1 59 . 1 . 1 38 38 ARG H H 1 9.072 0.000 . 1 . . . . . 38 R HN . 51654 1 60 . 1 . 1 38 38 ARG N N 15 115.059 0.000 . 1 . . . . . 38 R N . 51654 1 61 . 1 . 1 39 39 GLU H H 1 8.484 0.000 . 1 . . . . . 39 E HN . 51654 1 62 . 1 . 1 39 39 GLU N N 15 119.414 0.000 . 1 . . . . . 39 E N . 51654 1 63 . 1 . 1 40 40 LEU H H 1 7.343 0.000 . 1 . . . . . 40 L HN . 51654 1 64 . 1 . 1 40 40 LEU N N 15 115.485 0.000 . 1 . . . . . 40 L N . 51654 1 65 . 1 . 1 41 41 TYR H H 1 6.980 0.000 . 1 . . . . . 41 Y HN . 51654 1 66 . 1 . 1 41 41 TYR N N 15 119.549 0.000 . 1 . . . . . 41 Y N . 51654 1 67 . 1 . 1 42 42 LEU H H 1 8.342 0.000 . 1 . . . . . 42 L HN . 51654 1 68 . 1 . 1 42 42 LEU N N 15 118.133 0.000 . 1 . . . . . 42 L N . 51654 1 69 . 1 . 1 43 43 LEU H H 1 7.688 0.000 . 1 . . . . . 43 L HN . 51654 1 70 . 1 . 1 43 43 LEU N N 15 116.972 0.000 . 1 . . . . . 43 L N . 51654 1 71 . 1 . 1 44 44 PHE H H 1 7.565 0.000 . 1 . . . . . 44 F HN . 51654 1 72 . 1 . 1 44 44 PHE N N 15 110.184 0.000 . 1 . . . . . 44 F N . 51654 1 73 . 1 . 1 45 45 ARG H H 1 8.013 0.000 . 1 . . . . . 45 R HN . 51654 1 74 . 1 . 1 45 45 ARG N N 15 120.565 0.000 . 1 . . . . . 45 R N . 51654 1 75 . 1 . 1 47 47 PHE H H 1 8.114 0.000 . 1 . . . . . 47 F HN . 51654 1 76 . 1 . 1 47 47 PHE N N 15 117.164 0.000 . 1 . . . . . 47 F N . 51654 1 77 . 1 . 1 48 48 LYS H H 1 8.788 0.000 . 1 . . . . . 48 K HN . 51654 1 78 . 1 . 1 48 48 LYS N N 15 126.724 0.000 . 1 . . . . . 48 K N . 51654 1 79 . 1 . 1 49 49 GLY H H 1 9.101 0.000 . 1 . . . . . 49 G HN . 51654 1 80 . 1 . 1 49 49 GLY N N 15 109.634 0.000 . 1 . . . . . 49 G N . 51654 1 81 . 1 . 1 50 50 TYR H H 1 7.742 0.000 . 1 . . . . . 50 Y HN . 51654 1 82 . 1 . 1 50 50 TYR N N 15 120.706 0.000 . 1 . . . . . 50 Y N . 51654 1 83 . 1 . 1 51 51 GLU H H 1 8.453 0.000 . 1 . . . . . 51 E HN . 51654 1 84 . 1 . 1 51 51 GLU N N 15 108.455 0.000 . 1 . . . . . 51 E N . 51654 1 85 . 1 . 1 52 52 GLY H H 1 6.450 0.000 . 1 . . . . . 52 G HN . 51654 1 86 . 1 . 1 52 52 GLY N N 15 103.907 0.000 . 1 . . . . . 52 G N . 51654 1 87 . 1 . 1 53 53 SER H H 1 8.433 0.000 . 1 . . . . . 53 S HN . 51654 1 88 . 1 . 1 53 53 SER N N 15 110.212 0.000 . 1 . . . . . 53 S N . 51654 1 89 . 1 . 1 54 54 LEU H H 1 9.026 0.000 . 1 . . . . . 54 L HN . 51654 1 90 . 1 . 1 54 54 LEU N N 15 119.063 0.000 . 1 . . . . . 54 L N . 51654 1 91 . 1 . 1 55 55 ILE H H 1 8.795 0.000 . 1 . . . . . 55 I HN . 51654 1 92 . 1 . 1 55 55 ILE N N 15 121.141 0.000 . 1 . . . . . 55 I N . 51654 1 93 . 1 . 1 56 56 LYS H H 1 9.286 0.000 . 1 . . . . . 56 K HN . 51654 1 94 . 1 . 1 56 56 LYS N N 15 126.839 0.000 . 1 . . . . . 56 K N . 51654 1 95 . 1 . 1 57 57 LEU H H 1 8.797 0.000 . 1 . . . . . 57 L HN . 51654 1 96 . 1 . 1 57 57 LEU N N 15 124.530 0.000 . 1 . . . . . 57 L N . 51654 1 97 . 1 . 1 63 63 VAL H H 1 8.832 0.000 . 1 . . . . . 63 V HN . 51654 1 98 . 1 . 1 63 63 VAL N N 15 117.112 0.000 . 1 . . . . . 63 V N . 51654 1 99 . 1 . 1 64 64 GLY H H 1 8.846 0.000 . 1 . . . . . 64 G HN . 51654 1 100 . 1 . 1 64 64 GLY N N 15 107.514 0.000 . 1 . . . . . 64 G N . 51654 1 101 . 1 . 1 65 65 PHE H H 1 9.087 0.000 . 1 . . . . . 65 F HN . 51654 1 102 . 1 . 1 65 65 PHE N N 15 119.103 0.000 . 1 . . . . . 65 F N . 51654 1 103 . 1 . 1 66 66 VAL H H 1 9.143 0.000 . 1 . . . . . 66 V HN . 51654 1 104 . 1 . 1 66 66 VAL N N 15 122.134 0.000 . 1 . . . . . 66 V N . 51654 1 105 . 1 . 1 67 67 SER H H 1 8.778 0.000 . 1 . . . . . 67 S HN . 51654 1 106 . 1 . 1 67 67 SER N N 15 121.948 0.000 . 1 . . . . . 67 S N . 51654 1 107 . 1 . 1 69 69 ASP H H 1 9.544 0.000 . 1 . . . . . 69 D HN . 51654 1 108 . 1 . 1 69 69 ASP N N 15 119.154 0.000 . 1 . . . . . 69 D N . 51654 1 109 . 1 . 1 70 70 SER H H 1 7.787 0.000 . 1 . . . . . 70 S HN . 51654 1 110 . 1 . 1 70 70 SER N N 15 108.389 0.000 . 1 . . . . . 70 S N . 51654 1 111 . 1 . 1 71 71 ARG H H 1 9.544 0.000 . 1 . . . . . 71 R HN . 51654 1 112 . 1 . 1 71 71 ARG N N 15 124.631 0.000 . 1 . . . . . 71 R N . 51654 1 113 . 1 . 1 72 72 SER H H 1 8.910 0.000 . 1 . . . . . 72 S HN . 51654 1 114 . 1 . 1 72 72 SER N N 15 113.816 0.000 . 1 . . . . . 72 S N . 51654 1 115 . 1 . 1 73 73 GLU H H 1 7.792 0.000 . 1 . . . . . 73 E HN . 51654 1 116 . 1 . 1 73 73 GLU N N 15 122.534 0.000 . 1 . . . . . 73 E N . 51654 1 117 . 1 . 1 74 74 ALA H H 1 7.568 0.000 . 1 . . . . . 74 A HN . 51654 1 118 . 1 . 1 74 74 ALA N N 15 122.622 0.000 . 1 . . . . . 74 A N . 51654 1 119 . 1 . 1 75 75 GLU H H 1 8.955 0.000 . 1 . . . . . 75 E HN . 51654 1 120 . 1 . 1 75 75 GLU N N 15 118.176 0.000 . 1 . . . . . 75 E N . 51654 1 121 . 1 . 1 76 76 ALA H H 1 7.675 0.000 . 1 . . . . . 76 A HN . 51654 1 122 . 1 . 1 76 76 ALA N N 15 119.833 0.000 . 1 . . . . . 76 A N . 51654 1 123 . 1 . 1 77 77 ALA H H 1 7.197 0.000 . 1 . . . . . 77 A HN . 51654 1 124 . 1 . 1 77 77 ALA N N 15 120.457 0.000 . 1 . . . . . 77 A N . 51654 1 125 . 1 . 1 78 78 LYS H H 1 8.119 0.000 . 1 . . . . . 78 K HN . 51654 1 126 . 1 . 1 78 78 LYS N N 15 117.777 0.000 . 1 . . . . . 78 K N . 51654 1 127 . 1 . 1 79 79 ASN H H 1 8.282 0.000 . 1 . . . . . 79 N HN . 51654 1 128 . 1 . 1 79 79 ASN N N 15 114.450 0.000 . 1 . . . . . 79 N N . 51654 1 129 . 1 . 1 80 80 ALA H H 1 7.791 0.000 . 1 . . . . . 80 A HN . 51654 1 130 . 1 . 1 80 80 ALA N N 15 120.270 0.000 . 1 . . . . . 80 A N . 51654 1 131 . 1 . 1 81 81 LEU H H 1 7.658 0.000 . 1 . . . . . 81 L HN . 51654 1 132 . 1 . 1 81 81 LEU N N 15 114.109 0.000 . 1 . . . . . 81 L N . 51654 1 133 . 1 . 1 82 82 ASN H H 1 7.682 0.000 . 1 . . . . . 82 N HN . 51654 1 134 . 1 . 1 82 82 ASN N N 15 117.718 0.000 . 1 . . . . . 82 N N . 51654 1 135 . 1 . 1 83 83 GLY H H 1 8.867 0.000 . 1 . . . . . 83 G HN . 51654 1 136 . 1 . 1 83 83 GLY N N 15 111.773 0.000 . 1 . . . . . 83 G N . 51654 1 137 . 1 . 1 84 84 ILE H H 1 7.630 0.000 . 1 . . . . . 84 I HN . 51654 1 138 . 1 . 1 84 84 ILE N N 15 115.294 0.000 . 1 . . . . . 84 I N . 51654 1 139 . 1 . 1 85 85 ARG H H 1 8.641 0.000 . 1 . . . . . 85 R HN . 51654 1 140 . 1 . 1 85 85 ARG N N 15 119.675 0.000 . 1 . . . . . 85 R N . 51654 1 141 . 1 . 1 86 86 PHE H H 1 8.643 0.000 . 1 . . . . . 86 F HN . 51654 1 142 . 1 . 1 86 86 PHE N N 15 126.401 0.000 . 1 . . . . . 86 F N . 51654 1 143 . 1 . 1 87 87 ASP H H 1 8.008 0.000 . 1 . . . . . 87 D HN . 51654 1 144 . 1 . 1 87 87 ASP N N 15 110.765 0.000 . 1 . . . . . 87 D N . 51654 1 145 . 1 . 1 89 89 GLU H H 1 8.427 0.000 . 1 . . . . . 89 E HN . 51654 1 146 . 1 . 1 89 89 GLU N N 15 115.263 0.000 . 1 . . . . . 89 E N . 51654 1 147 . 1 . 1 90 90 ILE H H 1 8.228 0.000 . 1 . . . . . 90 I HN . 51654 1 148 . 1 . 1 90 90 ILE N N 15 121.204 0.000 . 1 . . . . . 90 I N . 51654 1 149 . 1 . 1 94 94 LEU H H 1 9.028 0.000 . 1 . . . . . 94 L HN . 51654 1 150 . 1 . 1 94 94 LEU N N 15 121.126 0.000 . 1 . . . . . 94 L N . 51654 1 151 . 1 . 1 95 95 ARG H H 1 8.491 0.000 . 1 . . . . . 95 R HN . 51654 1 152 . 1 . 1 95 95 ARG N N 15 124.178 0.000 . 1 . . . . . 95 R N . 51654 1 153 . 1 . 1 96 96 LEU H H 1 8.956 0.000 . 1 . . . . . 96 L HN . 51654 1 154 . 1 . 1 96 96 LEU N N 15 125.445 0.000 . 1 . . . . . 96 L N . 51654 1 155 . 1 . 1 97 97 GLU H H 1 8.499 0.000 . 1 . . . . . 97 E HN . 51654 1 156 . 1 . 1 97 97 GLU N N 15 118.942 0.000 . 1 . . . . . 97 E N . 51654 1 157 . 1 . 1 98 98 PHE H H 1 9.371 0.000 . 1 . . . . . 98 F HN . 51654 1 158 . 1 . 1 98 98 PHE N N 15 120.909 0.000 . 1 . . . . . 98 F N . 51654 1 159 . 1 . 1 99 99 ALA H H 1 8.772 0.000 . 1 . . . . . 99 A HN . 51654 1 160 . 1 . 1 99 99 ALA N N 15 124.595 0.000 . 1 . . . . . 99 A N . 51654 1 161 . 1 . 1 100 100 LYS H H 1 8.683 0.000 . 1 . . . . . 100 K HN . 51654 1 162 . 1 . 1 100 100 LYS N N 15 117.244 0.000 . 1 . . . . . 100 K N . 51654 1 163 . 1 . 1 101 101 ALA H H 1 7.917 0.000 . 1 . . . . . 101 A HN . 51654 1 164 . 1 . 1 101 101 ALA N N 15 118.920 0.000 . 1 . . . . . 101 A N . 51654 1 165 . 1 . 1 106 106 ALA H H 1 8.287 0.000 . 1 . . . . . 106 A HN . 51654 1 166 . 1 . 1 106 106 ALA N N 15 124.546 0.000 . 1 . . . . . 106 A N . 51654 1 167 . 1 . 1 107 107 LYS H H 1 8.437 0.000 . 1 . . . . . 107 K HN . 51654 1 168 . 1 . 1 107 107 LYS N N 15 120.557 0.000 . 1 . . . . . 107 K N . 51654 1 169 . 1 . 1 108 108 ASN H H 1 8.490 0.000 . 1 . . . . . 108 N HN . 51654 1 170 . 1 . 1 108 108 ASN N N 15 118.953 0.000 . 1 . . . . . 108 N N . 51654 1 171 . 1 . 1 109 109 LYS H H 1 8.434 0.000 . 1 . . . . . 109 K HN . 51654 1 172 . 1 . 1 109 109 LYS N N 15 120.866 0.000 . 1 . . . . . 109 K N . 51654 1 173 . 1 . 1 110 110 LEU H H 1 8.286 0.000 . 1 . . . . . 110 L HN . 51654 1 174 . 1 . 1 110 110 LEU N N 15 122.508 0.000 . 1 . . . . . 110 L N . 51654 1 175 . 1 . 1 111 111 VAL H H 1 8.242 0.000 . 1 . . . . . 111 V HN . 51654 1 176 . 1 . 1 111 111 VAL N N 15 119.900 0.000 . 1 . . . . . 111 V N . 51654 1 177 . 1 . 1 112 112 GLY H H 1 8.560 0.000 . 1 . . . . . 112 G HN . 51654 1 178 . 1 . 1 112 112 GLY N N 15 111.746 0.000 . 1 . . . . . 112 G N . 51654 1 179 . 1 . 1 113 113 THR H H 1 8.129 0.000 . 1 . . . . . 113 T HN . 51654 1 180 . 1 . 1 113 113 THR N N 15 115.534 0.000 . 1 . . . . . 113 T N . 51654 1 181 . 1 . 1 117 117 SER H H 1 8.518 0.000 . 1 . . . . . 117 S HN . 51654 1 182 . 1 . 1 117 117 SER N N 15 115.346 0.000 . 1 . . . . . 117 S N . 51654 1 183 . 1 . 1 118 118 THR H H 1 8.138 0.000 . 1 . . . . . 118 T HN . 51654 1 184 . 1 . 1 118 118 THR N N 15 117.768 0.000 . 1 . . . . . 118 T N . 51654 1 185 . 1 . 1 120 120 LEU H H 1 8.405 0.000 . 1 . . . . . 120 L HN . 51654 1 186 . 1 . 1 120 120 LEU N N 15 123.538 0.000 . 1 . . . . . 120 L N . 51654 1 187 . 1 . 1 122 122 ASN H H 1 8.016 0.000 . 1 . . . . . 122 N HN . 51654 1 188 . 1 . 1 122 122 ASN N N 15 123.740 0.000 . 1 . . . . . 122 N N . 51654 1 stop_ save_