############################## # Heteronuclear NOE values # ############################## save_NOE_600 _Heteronucl_NOE_list.Sf_category heteronucl_NOEs _Heteronucl_NOE_list.Sf_framecode NOE_600 _Heteronucl_NOE_list.Entry_ID 5707 _Heteronucl_NOE_list.ID 1 _Heteronucl_NOE_list.Sample_condition_list_ID 1 _Heteronucl_NOE_list.Sample_condition_list_label $cond_1 _Heteronucl_NOE_list.Spectrometer_frequency_1H 600 _Heteronucl_NOE_list.Heteronuclear_NOE_val_type 'relative intensities' _Heteronucl_NOE_list.NOE_ref_val . _Heteronucl_NOE_list.NOE_ref_description . _Heteronucl_NOE_list.Details . _Heteronucl_NOE_list.Text_data_format . _Heteronucl_NOE_list.Text_data . loop_ _Heteronucl_NOE_experiment.Experiment_ID _Heteronucl_NOE_experiment.Experiment_name _Heteronucl_NOE_experiment.Sample_ID _Heteronucl_NOE_experiment.Sample_label _Heteronucl_NOE_experiment.Sample_state _Heteronucl_NOE_experiment.Entry_ID _Heteronucl_NOE_experiment.Heteronucl_NOE_list_ID 3 '1H,15N HSQC' . . . 5707 1 stop_ loop_ _Heteronucl_NOE.ID _Heteronucl_NOE.Assembly_atom_ID_1 _Heteronucl_NOE.Entity_assembly_ID_1 _Heteronucl_NOE.Entity_ID_1 _Heteronucl_NOE.Comp_index_ID_1 _Heteronucl_NOE.Seq_ID_1 _Heteronucl_NOE.Comp_ID_1 _Heteronucl_NOE.Atom_ID_1 _Heteronucl_NOE.Atom_type_1 _Heteronucl_NOE.Atom_isotope_number_1 _Heteronucl_NOE.Assembly_atom_ID_2 _Heteronucl_NOE.Entity_assembly_ID_2 _Heteronucl_NOE.Entity_ID_2 _Heteronucl_NOE.Comp_index_ID_2 _Heteronucl_NOE.Seq_ID_2 _Heteronucl_NOE.Comp_ID_2 _Heteronucl_NOE.Atom_ID_2 _Heteronucl_NOE.Atom_type_2 _Heteronucl_NOE.Atom_isotope_number_2 _Heteronucl_NOE.Val _Heteronucl_NOE.Val_err _Heteronucl_NOE.Resonance_ID_1 _Heteronucl_NOE.Resonance_ID_2 _Heteronucl_NOE.Auth_entity_assembly_ID_1 _Heteronucl_NOE.Auth_seq_ID_1 _Heteronucl_NOE.Auth_comp_ID_1 _Heteronucl_NOE.Auth_atom_ID_1 _Heteronucl_NOE.Auth_entity_assembly_ID_2 _Heteronucl_NOE.Auth_seq_ID_2 _Heteronucl_NOE.Auth_comp_ID_2 _Heteronucl_NOE.Auth_atom_ID_2 _Heteronucl_NOE.Entry_ID _Heteronucl_NOE.Heteronucl_NOE_list_ID 1 . 1 1 4 4 HIS N N 15 . 1 1 4 4 HIS H H 1 0.1380 0.0050 . . . . . . . . . . 5707 1 2 . 1 1 6 6 GLN N N 15 . 1 1 6 6 GLN H H 1 0.5160 0.0520 . . . . . . . . . . 5707 1 3 . 1 1 9 9 ALA N N 15 . 1 1 9 9 ALA H H 1 0.7460 0.0070 . . . . . . . . . . 5707 1 4 . 1 1 10 10 GLU N N 15 . 1 1 10 10 GLU H H 1 0.7150 0.0090 . . . . . . . . . . 5707 1 5 . 1 1 11 11 ARG N N 15 . 1 1 11 11 ARG H H 1 0.7940 0.0250 . . . . . . . . . . 5707 1 6 . 1 1 12 12 GLU N N 15 . 1 1 12 12 GLU H H 1 0.7990 0.0070 . . . . . . . . . . 5707 1 7 . 1 1 14 14 ILE N N 15 . 1 1 14 14 ILE H H 1 0.8010 0.0180 . . . . . . . . . . 5707 1 8 . 1 1 16 16 LYS N N 15 . 1 1 16 16 LYS H H 1 0.8060 0.0060 . . . . . . . . . . 5707 1 9 . 1 1 17 17 ARG N N 15 . 1 1 17 17 ARG H H 1 0.7700 0.0130 . . . . . . . . . . 5707 1 10 . 1 1 18 18 PHE N N 15 . 1 1 18 18 PHE H H 1 0.7400 0.0230 . . . . . . . . . . 5707 1 11 . 1 1 20 20 ALA N N 15 . 1 1 20 20 ALA H H 1 0.7750 0.0050 . . . . . . . . . . 5707 1 12 . 1 1 21 21 ASN N N 15 . 1 1 21 21 ASN H H 1 0.7800 0.0040 . . . . . . . . . . 5707 1 13 . 1 1 22 22 GLY N N 15 . 1 1 22 22 GLY H H 1 0.7780 0.0020 . . . . . . . . . . 5707 1 14 . 1 1 23 23 ASP N N 15 . 1 1 23 23 ASP H H 1 0.7720 0.0100 . . . . . . . . . . 5707 1 15 . 1 1 24 24 GLY N N 15 . 1 1 24 24 GLY H H 1 0.7790 0.0660 . . . . . . . . . . 5707 1 16 . 1 1 25 25 LYS N N 15 . 1 1 25 25 LYS H H 1 0.7710 0.0120 . . . . . . . . . . 5707 1 17 . 1 1 26 26 ILE N N 15 . 1 1 26 26 ILE H H 1 0.7900 0.0150 . . . . . . . . . . 5707 1 18 . 1 1 27 27 SER N N 15 . 1 1 27 27 SER H H 1 0.7680 0.0080 . . . . . . . . . . 5707 1 19 . 1 1 28 28 ALA N N 15 . 1 1 28 28 ALA H H 1 0.8140 0.0180 . . . . . . . . . . 5707 1 20 . 1 1 30 30 GLU N N 15 . 1 1 30 30 GLU H H 1 0.7850 0.0120 . . . . . . . . . . 5707 1 21 . 1 1 31 31 LEU N N 15 . 1 1 31 31 LEU H H 1 0.7600 0.0090 . . . . . . . . . . 5707 1 22 . 1 1 32 32 GLY N N 15 . 1 1 32 32 GLY H H 1 0.7720 0.0200 . . . . . . . . . . 5707 1 23 . 1 1 34 34 ALA N N 15 . 1 1 34 34 ALA H H 1 0.7510 0.0150 . . . . . . . . . . 5707 1 24 . 1 1 35 35 LEU N N 15 . 1 1 35 35 LEU H H 1 0.7880 0.0090 . . . . . . . . . . 5707 1 25 . 1 1 36 36 LYS N N 15 . 1 1 36 36 LYS H H 1 0.7410 0.0070 . . . . . . . . . . 5707 1 26 . 1 1 37 37 THR N N 15 . 1 1 37 37 THR H H 1 0.7600 0.0100 . . . . . . . . . . 5707 1 27 . 1 1 38 38 LEU N N 15 . 1 1 38 38 LEU H H 1 0.7220 0.0140 . . . . . . . . . . 5707 1 28 . 1 1 39 39 GLY N N 15 . 1 1 39 39 GLY H H 1 0.6010 0.0070 . . . . . . . . . . 5707 1 29 . 1 1 40 40 SER N N 15 . 1 1 40 40 SER H H 1 0.4950 0.0070 . . . . . . . . . . 5707 1 30 . 1 1 41 41 ILE N N 15 . 1 1 41 41 ILE H H 1 0.4710 0.0060 . . . . . . . . . . 5707 1 31 . 1 1 42 42 THR N N 15 . 1 1 42 42 THR H H 1 0.6650 0.0060 . . . . . . . . . . 5707 1 32 . 1 1 45 45 GLU N N 15 . 1 1 45 45 GLU H H 1 0.7630 0.0170 . . . . . . . . . . 5707 1 33 . 1 1 48 48 HIS N N 15 . 1 1 48 48 HIS H H 1 0.7520 0.0200 . . . . . . . . . . 5707 1 34 . 1 1 50 50 MET N N 15 . 1 1 50 50 MET H H 1 0.7580 0.0080 . . . . . . . . . . 5707 1 35 . 1 1 51 51 ALA N N 15 . 1 1 51 51 ALA H H 1 0.7780 0.0180 . . . . . . . . . . 5707 1 36 . 1 1 52 52 GLU N N 15 . 1 1 52 52 GLU H H 1 0.7530 0.0160 . . . . . . . . . . 5707 1 37 . 1 1 53 53 ILE N N 15 . 1 1 53 53 ILE H H 1 0.7490 0.0190 . . . . . . . . . . 5707 1 38 . 1 1 54 54 ASP N N 15 . 1 1 54 54 ASP H H 1 0.7670 0.0110 . . . . . . . . . . 5707 1 39 . 1 1 56 56 ASP N N 15 . 1 1 56 56 ASP H H 1 0.7520 0.0150 . . . . . . . . . . 5707 1 40 . 1 1 57 57 GLY N N 15 . 1 1 57 57 GLY H H 1 0.7730 0.0150 . . . . . . . . . . 5707 1 41 . 1 1 58 58 ASP N N 15 . 1 1 58 58 ASP H H 1 0.8150 0.0180 . . . . . . . . . . 5707 1 42 . 1 1 59 59 GLY N N 15 . 1 1 59 59 GLY H H 1 0.8430 0.0090 . . . . . . . . . . 5707 1 43 . 1 1 60 60 PHE N N 15 . 1 1 60 60 PHE H H 1 0.7920 0.0180 . . . . . . . . . . 5707 1 44 . 1 1 61 61 ILE N N 15 . 1 1 61 61 ILE H H 1 0.7990 0.0070 . . . . . . . . . . 5707 1 45 . 1 1 62 62 SER N N 15 . 1 1 62 62 SER H H 1 0.7430 0.0170 . . . . . . . . . . 5707 1 46 . 1 1 63 63 PHE N N 15 . 1 1 63 63 PHE H H 1 0.8540 0.0140 . . . . . . . . . . 5707 1 47 . 1 1 64 64 GLN N N 15 . 1 1 64 64 GLN H H 1 0.8140 0.0020 . . . . . . . . . . 5707 1 48 . 1 1 66 66 PHE N N 15 . 1 1 66 66 PHE H H 1 0.8270 0.0090 . . . . . . . . . . 5707 1 49 . 1 1 68 68 ASP N N 15 . 1 1 68 68 ASP H H 1 0.7430 0.0310 . . . . . . . . . . 5707 1 50 . 1 1 69 69 PHE N N 15 . 1 1 69 69 PHE H H 1 0.7940 0.0200 . . . . . . . . . . 5707 1 51 . 1 1 70 70 GLY N N 15 . 1 1 70 70 GLY H H 1 0.7130 0.0310 . . . . . . . . . . 5707 1 52 . 1 1 71 71 ARG N N 15 . 1 1 71 71 ARG H H 1 0.7560 0.0120 . . . . . . . . . . 5707 1 53 . 1 1 72 72 ALA N N 15 . 1 1 72 72 ALA H H 1 0.7530 0.0400 . . . . . . . . . . 5707 1 54 . 1 1 73 73 ASN N N 15 . 1 1 73 73 ASN H H 1 0.7080 0.0480 . . . . . . . . . . 5707 1 55 . 1 1 74 74 ARG N N 15 . 1 1 74 74 ARG H H 1 0.6390 0.0090 . . . . . . . . . . 5707 1 56 . 1 1 75 75 GLY N N 15 . 1 1 75 75 GLY H H 1 0.6990 0.0240 . . . . . . . . . . 5707 1 57 . 1 1 76 76 LEU N N 15 . 1 1 76 76 LEU H H 1 0.7200 0.0190 . . . . . . . . . . 5707 1 58 . 1 1 77 77 LEU N N 15 . 1 1 77 77 LEU H H 1 0.6780 0.0300 . . . . . . . . . . 5707 1 59 . 1 1 78 78 LYS N N 15 . 1 1 78 78 LYS H H 1 0.7010 0.0130 . . . . . . . . . . 5707 1 60 . 1 1 80 80 VAL N N 15 . 1 1 80 80 VAL H H 1 0.6900 0.0330 . . . . . . . . . . 5707 1 61 . 1 1 81 81 ALA N N 15 . 1 1 81 81 ALA H H 1 0.6680 0.0040 . . . . . . . . . . 5707 1 62 . 1 1 82 82 LYS N N 15 . 1 1 82 82 LYS H H 1 0.7430 0.0380 . . . . . . . . . . 5707 1 63 . 1 1 83 83 ILE N N 15 . 1 1 83 83 ILE H H 1 0.5590 0.0150 . . . . . . . . . . 5707 1 64 . 1 1 84 84 PHE N N 15 . 1 1 84 84 PHE H H 1 0.5270 0.0070 . . . . . . . . . . 5707 1 stop_ save_ ############################## # Heteronuclear NOE values # ############################## save_NOE_750 _Heteronucl_NOE_list.Sf_category heteronucl_NOEs _Heteronucl_NOE_list.Sf_framecode NOE_750 _Heteronucl_NOE_list.Entry_ID 5707 _Heteronucl_NOE_list.ID 2 _Heteronucl_NOE_list.Sample_condition_list_ID 1 _Heteronucl_NOE_list.Sample_condition_list_label $cond_1 _Heteronucl_NOE_list.Spectrometer_frequency_1H 750 _Heteronucl_NOE_list.Heteronuclear_NOE_val_type 'relative intensities' _Heteronucl_NOE_list.NOE_ref_val . _Heteronucl_NOE_list.NOE_ref_description . _Heteronucl_NOE_list.Details . _Heteronucl_NOE_list.Text_data_format . _Heteronucl_NOE_list.Text_data . loop_ _Heteronucl_NOE_experiment.Experiment_ID _Heteronucl_NOE_experiment.Experiment_name _Heteronucl_NOE_experiment.Sample_ID _Heteronucl_NOE_experiment.Sample_label _Heteronucl_NOE_experiment.Sample_state _Heteronucl_NOE_experiment.Entry_ID _Heteronucl_NOE_experiment.Heteronucl_NOE_list_ID 3 '1H,15N HSQC' . . . 5707 2 stop_ loop_ _Heteronucl_NOE.ID _Heteronucl_NOE.Assembly_atom_ID_1 _Heteronucl_NOE.Entity_assembly_ID_1 _Heteronucl_NOE.Entity_ID_1 _Heteronucl_NOE.Comp_index_ID_1 _Heteronucl_NOE.Seq_ID_1 _Heteronucl_NOE.Comp_ID_1 _Heteronucl_NOE.Atom_ID_1 _Heteronucl_NOE.Atom_type_1 _Heteronucl_NOE.Atom_isotope_number_1 _Heteronucl_NOE.Assembly_atom_ID_2 _Heteronucl_NOE.Entity_assembly_ID_2 _Heteronucl_NOE.Entity_ID_2 _Heteronucl_NOE.Comp_index_ID_2 _Heteronucl_NOE.Seq_ID_2 _Heteronucl_NOE.Comp_ID_2 _Heteronucl_NOE.Atom_ID_2 _Heteronucl_NOE.Atom_type_2 _Heteronucl_NOE.Atom_isotope_number_2 _Heteronucl_NOE.Val _Heteronucl_NOE.Val_err _Heteronucl_NOE.Resonance_ID_1 _Heteronucl_NOE.Resonance_ID_2 _Heteronucl_NOE.Auth_entity_assembly_ID_1 _Heteronucl_NOE.Auth_seq_ID_1 _Heteronucl_NOE.Auth_comp_ID_1 _Heteronucl_NOE.Auth_atom_ID_1 _Heteronucl_NOE.Auth_entity_assembly_ID_2 _Heteronucl_NOE.Auth_seq_ID_2 _Heteronucl_NOE.Auth_comp_ID_2 _Heteronucl_NOE.Auth_atom_ID_2 _Heteronucl_NOE.Entry_ID _Heteronucl_NOE.Heteronucl_NOE_list_ID 1 . 1 1 4 4 HIS N N 15 . 1 1 4 4 HIS H H 1 0.2950 0.0010 . . . . . . . . . . 5707 2 2 . 1 1 6 6 GLN N N 15 . 1 1 6 6 GLN H H 1 0.5500 0.0040 . . . . . . . . . . 5707 2 3 . 1 1 9 9 ALA N N 15 . 1 1 9 9 ALA H H 1 0.7260 0.0150 . . . . . . . . . . 5707 2 4 . 1 1 10 10 GLU N N 15 . 1 1 10 10 GLU H H 1 0.8070 0.0230 . . . . . . . . . . 5707 2 5 . 1 1 11 11 ARG N N 15 . 1 1 11 11 ARG H H 1 0.8150 0.0170 . . . . . . . . . . 5707 2 6 . 1 1 12 12 GLU N N 15 . 1 1 12 12 GLU H H 1 0.7870 0.0250 . . . . . . . . . . 5707 2 7 . 1 1 14 14 ILE N N 15 . 1 1 14 14 ILE H H 1 0.8040 0.0390 . . . . . . . . . . 5707 2 8 . 1 1 16 16 LYS N N 15 . 1 1 16 16 LYS H H 1 0.8160 0.0060 . . . . . . . . . . 5707 2 9 . 1 1 17 17 ARG N N 15 . 1 1 17 17 ARG H H 1 0.8390 0.0050 . . . . . . . . . . 5707 2 10 . 1 1 18 18 PHE N N 15 . 1 1 18 18 PHE H H 1 0.7930 0.0040 . . . . . . . . . . 5707 2 11 . 1 1 20 20 ALA N N 15 . 1 1 20 20 ALA H H 1 0.8400 0.0180 . . . . . . . . . . 5707 2 12 . 1 1 21 21 ASN N N 15 . 1 1 21 21 ASN H H 1 0.8080 0.0010 . . . . . . . . . . 5707 2 13 . 1 1 22 22 GLY N N 15 . 1 1 22 22 GLY H H 1 0.8440 0.0040 . . . . . . . . . . 5707 2 14 . 1 1 23 23 ASP N N 15 . 1 1 23 23 ASP H H 1 0.8660 0.0090 . . . . . . . . . . 5707 2 15 . 1 1 24 24 GLY N N 15 . 1 1 24 24 GLY H H 1 0.8300 0.0250 . . . . . . . . . . 5707 2 16 . 1 1 25 25 LYS N N 15 . 1 1 25 25 LYS H H 1 0.8150 0.0080 . . . . . . . . . . 5707 2 17 . 1 1 26 26 ILE N N 15 . 1 1 26 26 ILE H H 1 0.8370 0.0250 . . . . . . . . . . 5707 2 18 . 1 1 27 27 SER N N 15 . 1 1 27 27 SER H H 1 0.8370 0.0210 . . . . . . . . . . 5707 2 19 . 1 1 28 28 ALA N N 15 . 1 1 28 28 ALA H H 1 0.8400 0.0060 . . . . . . . . . . 5707 2 20 . 1 1 30 30 GLU N N 15 . 1 1 30 30 GLU H H 1 0.8190 0.0150 . . . . . . . . . . 5707 2 21 . 1 1 31 31 LEU N N 15 . 1 1 31 31 LEU H H 1 0.8440 0.0110 . . . . . . . . . . 5707 2 22 . 1 1 32 32 GLY N N 15 . 1 1 32 32 GLY H H 1 0.8300 0.0120 . . . . . . . . . . 5707 2 23 . 1 1 34 34 ALA N N 15 . 1 1 34 34 ALA H H 1 0.7880 0.0080 . . . . . . . . . . 5707 2 24 . 1 1 35 35 LEU N N 15 . 1 1 35 35 LEU H H 1 0.7910 0.0060 . . . . . . . . . . 5707 2 25 . 1 1 36 36 LYS N N 15 . 1 1 36 36 LYS H H 1 0.8100 0.0240 . . . . . . . . . . 5707 2 26 . 1 1 37 37 THR N N 15 . 1 1 37 37 THR H H 1 0.8090 0.0140 . . . . . . . . . . 5707 2 27 . 1 1 38 38 LEU N N 15 . 1 1 38 38 LEU H H 1 0.7360 0.0090 . . . . . . . . . . 5707 2 28 . 1 1 39 39 GLY N N 15 . 1 1 39 39 GLY H H 1 0.6610 0.0010 . . . . . . . . . . 5707 2 29 . 1 1 40 40 SER N N 15 . 1 1 40 40 SER H H 1 0.5700 0.0000 . . . . . . . . . . 5707 2 30 . 1 1 41 41 ILE N N 15 . 1 1 41 41 ILE H H 1 0.5500 0.0100 . . . . . . . . . . 5707 2 31 . 1 1 42 42 THR N N 15 . 1 1 42 42 THR H H 1 0.6550 0.0010 . . . . . . . . . . 5707 2 32 . 1 1 45 45 GLU N N 15 . 1 1 45 45 GLU H H 1 0.7770 0.0120 . . . . . . . . . . 5707 2 33 . 1 1 48 48 HIS N N 15 . 1 1 48 48 HIS H H 1 0.7960 0.0130 . . . . . . . . . . 5707 2 34 . 1 1 50 50 MET N N 15 . 1 1 50 50 MET H H 1 0.8020 0.0070 . . . . . . . . . . 5707 2 35 . 1 1 51 51 ALA N N 15 . 1 1 51 51 ALA H H 1 0.8320 0.0110 . . . . . . . . . . 5707 2 36 . 1 1 52 52 GLU N N 15 . 1 1 52 52 GLU H H 1 0.8240 0.0010 . . . . . . . . . . 5707 2 37 . 1 1 53 53 ILE N N 15 . 1 1 53 53 ILE H H 1 0.8180 0.0100 . . . . . . . . . . 5707 2 38 . 1 1 54 54 ASP N N 15 . 1 1 54 54 ASP H H 1 0.8430 0.0060 . . . . . . . . . . 5707 2 39 . 1 1 56 56 ASP N N 15 . 1 1 56 56 ASP H H 1 0.8400 0.0020 . . . . . . . . . . 5707 2 40 . 1 1 57 57 GLY N N 15 . 1 1 57 57 GLY H H 1 0.8410 0.0070 . . . . . . . . . . 5707 2 41 . 1 1 58 58 ASP N N 15 . 1 1 58 58 ASP H H 1 0.8520 0.0010 . . . . . . . . . . 5707 2 42 . 1 1 59 59 GLY N N 15 . 1 1 59 59 GLY H H 1 0.8380 0.0220 . . . . . . . . . . 5707 2 43 . 1 1 60 60 PHE N N 15 . 1 1 60 60 PHE H H 1 0.8090 0.0220 . . . . . . . . . . 5707 2 44 . 1 1 61 61 ILE N N 15 . 1 1 61 61 ILE H H 1 0.8000 0.0100 . . . . . . . . . . 5707 2 45 . 1 1 62 62 SER N N 15 . 1 1 62 62 SER H H 1 0.8160 0.0120 . . . . . . . . . . 5707 2 46 . 1 1 63 63 PHE N N 15 . 1 1 63 63 PHE H H 1 0.7870 0.0320 . . . . . . . . . . 5707 2 47 . 1 1 64 64 GLN N N 15 . 1 1 64 64 GLN H H 1 0.8540 0.0190 . . . . . . . . . . 5707 2 48 . 1 1 66 66 PHE N N 15 . 1 1 66 66 PHE H H 1 0.8580 0.0080 . . . . . . . . . . 5707 2 49 . 1 1 68 68 ASP N N 15 . 1 1 68 68 ASP H H 1 0.8020 0.0070 . . . . . . . . . . 5707 2 50 . 1 1 69 69 PHE N N 15 . 1 1 69 69 PHE H H 1 0.8200 0.0110 . . . . . . . . . . 5707 2 51 . 1 1 70 70 GLY N N 15 . 1 1 70 70 GLY H H 1 0.8240 0.0050 . . . . . . . . . . 5707 2 52 . 1 1 71 71 ARG N N 15 . 1 1 71 71 ARG H H 1 0.8710 0.0020 . . . . . . . . . . 5707 2 53 . 1 1 72 72 ALA N N 15 . 1 1 72 72 ALA H H 1 0.7420 0.0260 . . . . . . . . . . 5707 2 54 . 1 1 73 73 ASN N N 15 . 1 1 73 73 ASN H H 1 0.7570 0.0050 . . . . . . . . . . 5707 2 55 . 1 1 74 74 ARG N N 15 . 1 1 74 74 ARG H H 1 0.7420 0.0150 . . . . . . . . . . 5707 2 56 . 1 1 75 75 GLY N N 15 . 1 1 75 75 GLY H H 1 0.7590 0.0210 . . . . . . . . . . 5707 2 57 . 1 1 76 76 LEU N N 15 . 1 1 76 76 LEU H H 1 0.7310 0.0050 . . . . . . . . . . 5707 2 58 . 1 1 77 77 LEU N N 15 . 1 1 77 77 LEU H H 1 0.7460 0.0240 . . . . . . . . . . 5707 2 59 . 1 1 78 78 LYS N N 15 . 1 1 78 78 LYS H H 1 0.7090 0.0010 . . . . . . . . . . 5707 2 60 . 1 1 80 80 VAL N N 15 . 1 1 80 80 VAL H H 1 0.7010 0.0290 . . . . . . . . . . 5707 2 61 . 1 1 81 81 ALA N N 15 . 1 1 81 81 ALA H H 1 0.7130 0.0070 . . . . . . . . . . 5707 2 62 . 1 1 82 82 LYS N N 15 . 1 1 82 82 LYS H H 1 0.7050 0.0200 . . . . . . . . . . 5707 2 63 . 1 1 83 83 ILE N N 15 . 1 1 83 83 ILE H H 1 0.6260 0.0120 . . . . . . . . . . 5707 2 64 . 1 1 84 84 PHE N N 15 . 1 1 84 84 PHE H H 1 0.6530 0.0120 . . . . . . . . . . 5707 2 stop_ save_