################################### # 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 50591 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'list 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' . . . 50591 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 2 $software_2 . . 50591 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 3 3 ASP H H 1 8.315 . . . . . . . . 632 D H . 50591 1 2 . 1 . 1 3 3 ASP N N 15 122.676 . . . . . . . . 632 D N . 50591 1 3 . 1 . 1 4 4 LYS H H 1 8.092 . . . . . . . . 633 K H . 50591 1 4 . 1 . 1 4 4 LYS N N 15 121.759 . . . . . . . . 633 K N . 50591 1 5 . 1 . 1 5 5 THR H H 1 8.027 . . . . . . . . 634 T H . 50591 1 6 . 1 . 1 5 5 THR N N 15 115.784 . . . . . . . . 634 T N . 50591 1 7 . 1 . 1 6 6 LEU H H 1 7.940 . . . . . . . . 635 L H . 50591 1 8 . 1 . 1 6 6 LEU N N 15 125.870 . . . . . . . . 635 L N . 50591 1 9 . 1 . 1 8 8 ASP H H 1 8.153 . . . . . . . . 637 D H . 50591 1 10 . 1 . 1 8 8 ASP N N 15 120.277 . . . . . . . . 637 D N . 50591 1 11 . 1 . 1 9 9 GLN H H 1 8.109 . . . . . . . . 638 Q H . 50591 1 12 . 1 . 1 9 9 GLN N N 15 120.850 . . . . . . . . 638 Q N . 50591 1 13 . 1 . 1 10 10 GLY H H 1 8.265 . . . . . . . . 639 G H . 50591 1 14 . 1 . 1 10 10 GLY N N 15 110.072 . . . . . . . . 639 G N . 50591 1 15 . 1 . 1 11 11 ASP H H 1 8.062 . . . . . . . . 640 D H . 50591 1 16 . 1 . 1 11 11 ASP N N 15 120.721 . . . . . . . . 640 D N . 50591 1 17 . 1 . 1 12 12 ASN H H 1 8.216 . . . . . . . . 641 N H . 50591 1 18 . 1 . 1 12 12 ASN N N 15 119.121 . . . . . . . . 641 N N . 50591 1 19 . 1 . 1 13 13 ASP H H 1 8.111 . . . . . . . . 642 D H . 50591 1 20 . 1 . 1 13 13 ASP N N 15 120.557 . . . . . . . . 642 D N . 50591 1 21 . 1 . 1 14 14 ASN H H 1 7.947 . . . . . . . . 643 N H . 50591 1 22 . 1 . 1 14 14 ASN N N 15 118.768 . . . . . . . . 643 N N . 50591 1 23 . 1 . 1 15 15 TRP H H 1 8.080 . . . . . . . . 644 W H . 50591 1 24 . 1 . 1 15 15 TRP N N 15 122.090 . . . . . . . . 644 W N . 50591 1 25 . 1 . 1 16 16 TRP H H 1 7.165 . . . . . . . . 645 W H . 50591 1 26 . 1 . 1 16 16 TRP N N 15 118.120 . . . . . . . . 645 W N . 50591 1 27 . 1 . 1 17 17 THR H H 1 7.404 . . . . . . . . 646 T H . 50591 1 28 . 1 . 1 17 17 THR N N 15 114.044 . . . . . . . . 646 T N . 50591 1 29 . 1 . 1 18 18 GLY H H 1 8.066 . . . . . . . . 647 G H . 50591 1 30 . 1 . 1 18 18 GLY N N 15 110.624 . . . . . . . . 647 G N . 50591 1 31 . 1 . 1 19 19 TRP H H 1 7.640 . . . . . . . . 648 W H . 50591 1 32 . 1 . 1 19 19 TRP N N 15 120.903 . . . . . . . . 648 W N . 50591 1 33 . 1 . 1 20 20 ARG H H 1 7.308 . . . . . . . . 649 R H . 50591 1 34 . 1 . 1 20 20 ARG N N 15 119.641 . . . . . . . . 649 R N . 50591 1 35 . 1 . 1 21 21 GLN H H 1 7.705 . . . . . . . . 650 Q H . 50591 1 36 . 1 . 1 21 21 GLN N N 15 116.056 . . . . . . . . 650 Q N . 50591 1 37 . 1 . 1 22 22 TRP H H 1 7.643 . . . . . . . . 651 W H . 50591 1 38 . 1 . 1 22 22 TRP N N 15 118.054 . . . . . . . . 651 W N . 50591 1 39 . 1 . 1 26 26 GLY H H 1 8.588 . . . . . . . . 655 G H . 50591 1 40 . 1 . 1 26 26 GLY N N 15 105.820 . . . . . . . . 655 G N . 50591 1 41 . 1 . 1 28 28 GLY H H 1 8.390 . . . . . . . . 657 G H . 50591 1 42 . 1 . 1 28 28 GLY N N 15 108.291 . . . . . . . . 657 G N . 50591 1 43 . 1 . 1 29 29 VAL H H 1 8.452 . . . . . . . . 658 V H . 50591 1 44 . 1 . 1 29 29 VAL N N 15 119.461 . . . . . . . . 658 V N . 50591 1 45 . 1 . 1 30 30 THR H H 1 7.625 . . . . . . . . 659 T H . 50591 1 46 . 1 . 1 30 30 THR N N 15 116.823 . . . . . . . . 659 T N . 50591 1 47 . 1 . 1 31 31 LEU H H 1 8.150 . . . . . . . . 660 L H . 50591 1 48 . 1 . 1 31 31 LEU N N 15 119.589 . . . . . . . . 660 L N . 50591 1 49 . 1 . 1 32 32 VAL H H 1 7.699 . . . . . . . . 661 V H . 50591 1 50 . 1 . 1 32 32 VAL N N 15 118.151 . . . . . . . . 661 V N . 50591 1 51 . 1 . 1 33 33 VAL H H 1 8.099 . . . . . . . . 662 V H . 50591 1 52 . 1 . 1 33 33 VAL N N 15 119.070 . . . . . . . . 662 V N . 50591 1 53 . 1 . 1 34 34 ILE H H 1 8.192 . . . . . . . . 663 I H . 50591 1 54 . 1 . 1 34 34 ILE N N 15 117.987 . . . . . . . . 663 I N . 50591 1 55 . 1 . 1 35 35 ALA H H 1 8.114 . . . . . . . . 664 A H . 50591 1 56 . 1 . 1 35 35 ALA N N 15 121.822 . . . . . . . . 664 A N . 50591 1 57 . 1 . 1 36 36 VAL H H 1 8.195 . . . . . . . . 665 V H . 50591 1 58 . 1 . 1 36 36 VAL N N 15 116.664 . . . . . . . . 665 V N . 50591 1 59 . 1 . 1 37 37 ILE H H 1 8.119 . . . . . . . . 666 I H . 50591 1 60 . 1 . 1 37 37 ILE N N 15 119.589 . . . . . . . . 666 I N . 50591 1 61 . 1 . 1 38 38 ALA H H 1 8.572 . . . . . . . . 667 A H . 50591 1 62 . 1 . 1 38 38 ALA N N 15 121.279 . . . . . . . . 667 A N . 50591 1 63 . 1 . 1 39 39 LEU H H 1 8.228 . . . . . . . . 668 L H . 50591 1 64 . 1 . 1 39 39 LEU N N 15 117.489 . . . . . . . . 668 L N . 50591 1 65 . 1 . 1 40 40 PHE H H 1 8.223 . . . . . . . . 669 F H . 50591 1 66 . 1 . 1 40 40 PHE N N 15 118.481 . . . . . . . . 669 F N . 50591 1 67 . 1 . 1 41 41 ALA H H 1 8.429 . . . . . . . . 670 A H . 50591 1 68 . 1 . 1 41 41 ALA N N 15 120.789 . . . . . . . . 670 A N . 50591 1 69 . 1 . 1 42 42 ILE H H 1 8.272 . . . . . . . . 671 I H . 50591 1 70 . 1 . 1 42 42 ILE N N 15 116.446 . . . . . . . . 671 I N . 50591 1 71 . 1 . 1 43 43 ALA H H 1 8.202 . . . . . . . . 672 A H . 50591 1 72 . 1 . 1 43 43 ALA N N 15 121.705 . . . . . . . . 672 A N . 50591 1 73 . 1 . 1 44 44 LYS H H 1 7.662 . . . . . . . . 673 K H . 50591 1 74 . 1 . 1 44 44 LYS N N 15 114.430 . . . . . . . . 673 K N . 50591 1 75 . 1 . 1 45 45 PHE H H 1 7.849 . . . . . . . . 674 F H . 50591 1 76 . 1 . 1 45 45 PHE N N 15 115.962 . . . . . . . . 674 F N . 50591 1 77 . 1 . 1 46 46 VAL H H 1 7.658 . . . . . . . . 675 V H . 50591 1 78 . 1 . 1 46 46 VAL N N 15 115.760 . . . . . . . . 675 V N . 50591 1 79 . 1 . 1 47 47 PHE H H 1 7.329 . . . . . . . . 676 F H . 50591 1 80 . 1 . 1 47 47 PHE N N 15 124.273 . . . . . . . . 676 F N . 50591 1 stop_ save_ ################################### # 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_2 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_2 _Assigned_chem_shift_list.Entry_ID 50591 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Name 2 _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 2 '2D 1H-15N HSQC' . . . 50591 2 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 2 $software_2 . . 50591 2 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 3 3 ASP H H 1 8.314 . . . . . . . . 632 D H . 50591 2 2 . 1 . 1 3 3 ASP N N 15 122.692 . . . . . . . . 632 D N . 50591 2 3 . 1 . 1 4 4 LYS H H 1 8.086 . . . . . . . . 633 K H . 50591 2 4 . 1 . 1 4 4 LYS N N 15 121.753 . . . . . . . . 633 K N . 50591 2 5 . 1 . 1 5 5 THR H H 1 8.023 . . . . . . . . 634 T H . 50591 2 6 . 1 . 1 5 5 THR N N 15 115.812 . . . . . . . . 634 T N . 50591 2 7 . 1 . 1 6 6 LEU H H 1 7.945 . . . . . . . . 635 L H . 50591 2 8 . 1 . 1 6 6 LEU N N 15 125.933 . . . . . . . . 635 L N . 50591 2 9 . 1 . 1 8 8 ASP H H 1 8.150 . . . . . . . . 637 D H . 50591 2 10 . 1 . 1 8 8 ASP N N 15 120.301 . . . . . . . . 637 D N . 50591 2 11 . 1 . 1 9 9 GLN H H 1 8.109 . . . . . . . . 638 Q H . 50591 2 12 . 1 . 1 9 9 GLN N N 15 120.850 . . . . . . . . 638 Q N . 50591 2 13 . 1 . 1 10 10 GLY H H 1 8.264 . . . . . . . . 639 G H . 50591 2 14 . 1 . 1 10 10 GLY N N 15 110.084 . . . . . . . . 639 G N . 50591 2 15 . 1 . 1 11 11 ASP H H 1 8.062 . . . . . . . . 640 D H . 50591 2 16 . 1 . 1 11 11 ASP N N 15 120.738 . . . . . . . . 640 D N . 50591 2 17 . 1 . 1 12 12 ASN H H 1 8.214 . . . . . . . . 641 N H . 50591 2 18 . 1 . 1 12 12 ASN N N 15 119.143 . . . . . . . . 641 N N . 50591 2 19 . 1 . 1 13 13 ASP H H 1 8.111 . . . . . . . . 642 D H . 50591 2 20 . 1 . 1 13 13 ASP N N 15 120.557 . . . . . . . . 642 D N . 50591 2 21 . 1 . 1 14 14 ASN H H 1 7.945 . . . . . . . . 643 N H . 50591 2 22 . 1 . 1 14 14 ASN N N 15 118.775 . . . . . . . . 643 N N . 50591 2 23 . 1 . 1 15 15 TRP H H 1 8.084 . . . . . . . . 644 W H . 50591 2 24 . 1 . 1 15 15 TRP N N 15 122.076 . . . . . . . . 644 W N . 50591 2 25 . 1 . 1 16 16 TRP H H 1 7.161 . . . . . . . . 645 W H . 50591 2 26 . 1 . 1 16 16 TRP N N 15 118.132 . . . . . . . . 645 W N . 50591 2 27 . 1 . 1 17 17 THR H H 1 7.398 . . . . . . . . 646 T H . 50591 2 28 . 1 . 1 17 17 THR N N 15 114.018 . . . . . . . . 646 T N . 50591 2 29 . 1 . 1 18 18 GLY H H 1 8.069 . . . . . . . . 647 G H . 50591 2 30 . 1 . 1 18 18 GLY N N 15 110.676 . . . . . . . . 647 G N . 50591 2 31 . 1 . 1 19 19 TRP H H 1 7.642 . . . . . . . . 648 W H . 50591 2 32 . 1 . 1 19 19 TRP N N 15 120.940 . . . . . . . . 648 W N . 50591 2 33 . 1 . 1 20 20 ARG H H 1 7.297 . . . . . . . . 649 R H . 50591 2 34 . 1 . 1 20 20 ARG N N 15 119.632 . . . . . . . . 649 R N . 50591 2 35 . 1 . 1 21 21 GLN H H 1 7.686 . . . . . . . . 650 Q H . 50591 2 36 . 1 . 1 21 21 GLN N N 15 116.021 . . . . . . . . 650 Q N . 50591 2 37 . 1 . 1 22 22 TRP H H 1 7.636 . . . . . . . . 651 W H . 50591 2 38 . 1 . 1 22 22 TRP N N 15 118.028 . . . . . . . . 651 W N . 50591 2 39 . 1 . 1 26 26 GLY H H 1 8.584 . . . . . . . . 655 G H . 50591 2 40 . 1 . 1 26 26 GLY N N 15 105.797 . . . . . . . . 655 G N . 50591 2 41 . 1 . 1 28 28 GLY H H 1 8.396 . . . . . . . . 657 G H . 50591 2 42 . 1 . 1 28 28 GLY N N 15 108.263 . . . . . . . . 657 G N . 50591 2 43 . 1 . 1 29 29 VAL H H 1 8.455 . . . . . . . . 658 V H . 50591 2 44 . 1 . 1 29 29 VAL N N 15 119.440 . . . . . . . . 658 V N . 50591 2 45 . 1 . 1 30 30 THR H H 1 7.622 . . . . . . . . 659 T H . 50591 2 46 . 1 . 1 30 30 THR N N 15 116.803 . . . . . . . . 659 T N . 50591 2 47 . 1 . 1 31 31 LEU H H 1 8.150 . . . . . . . . 660 L H . 50591 2 48 . 1 . 1 31 31 LEU N N 15 119.589 . . . . . . . . 660 L N . 50591 2 49 . 1 . 1 32 32 VAL H H 1 7.707 . . . . . . . . 661 V H . 50591 2 50 . 1 . 1 32 32 VAL N N 15 118.184 . . . . . . . . 661 V N . 50591 2 51 . 1 . 1 33 33 VAL H H 1 8.105 . . . . . . . . 662 V H . 50591 2 52 . 1 . 1 33 33 VAL N N 15 119.065 . . . . . . . . 662 V N . 50591 2 53 . 1 . 1 34 34 ILE H H 1 8.195 . . . . . . . . 663 I H . 50591 2 54 . 1 . 1 34 34 ILE N N 15 118.001 . . . . . . . . 663 I N . 50591 2 55 . 1 . 1 35 35 ALA H H 1 8.114 . . . . . . . . 664 A H . 50591 2 56 . 1 . 1 35 35 ALA N N 15 121.822 . . . . . . . . 664 A N . 50591 2 57 . 1 . 1 36 36 VAL H H 1 8.199 . . . . . . . . 665 V H . 50591 2 58 . 1 . 1 36 36 VAL N N 15 116.672 . . . . . . . . 665 V N . 50591 2 59 . 1 . 1 37 37 ILE H H 1 8.126 . . . . . . . . 666 I H . 50591 2 60 . 1 . 1 37 37 ILE N N 15 119.588 . . . . . . . . 666 I N . 50591 2 61 . 1 . 1 38 38 ALA H H 1 8.576 . . . . . . . . 667 A H . 50591 2 62 . 1 . 1 38 38 ALA N N 15 121.296 . . . . . . . . 667 A N . 50591 2 63 . 1 . 1 39 39 LEU H H 1 8.229 . . . . . . . . 668 L H . 50591 2 64 . 1 . 1 39 39 LEU N N 15 117.489 . . . . . . . . 668 L N . 50591 2 65 . 1 . 1 40 40 PHE H H 1 8.224 . . . . . . . . 669 F H . 50591 2 66 . 1 . 1 40 40 PHE N N 15 118.480 . . . . . . . . 669 F N . 50591 2 67 . 1 . 1 41 41 ALA H H 1 8.424 . . . . . . . . 670 A H . 50591 2 68 . 1 . 1 41 41 ALA N N 15 120.805 . . . . . . . . 670 A N . 50591 2 69 . 1 . 1 42 42 ILE H H 1 8.274 . . . . . . . . 671 I H . 50591 2 70 . 1 . 1 42 42 ILE N N 15 116.452 . . . . . . . . 671 I N . 50591 2 71 . 1 . 1 43 43 ALA H H 1 8.199 . . . . . . . . 672 A H . 50591 2 72 . 1 . 1 43 43 ALA N N 15 121.711 . . . . . . . . 672 A N . 50591 2 73 . 1 . 1 44 44 LYS H H 1 7.657 . . . . . . . . 673 K H . 50591 2 74 . 1 . 1 44 44 LYS N N 15 114.432 . . . . . . . . 673 K N . 50591 2 75 . 1 . 1 45 45 PHE H H 1 7.847 . . . . . . . . 674 F H . 50591 2 76 . 1 . 1 45 45 PHE N N 15 115.932 . . . . . . . . 674 F N . 50591 2 77 . 1 . 1 46 46 VAL H H 1 7.654 . . . . . . . . 675 V H . 50591 2 78 . 1 . 1 46 46 VAL N N 15 115.724 . . . . . . . . 675 V N . 50591 2 79 . 1 . 1 47 47 PHE H H 1 7.320 . . . . . . . . 676 F H . 50591 2 80 . 1 . 1 47 47 PHE N N 15 124.219 . . . . . . . . 676 F N . 50591 2 stop_ save_