############################## # Heteronuclear NOE values # ############################## save_heteronuclear_noe_list_1 _Heteronucl_NOE_list.Sf_category heteronucl_NOEs _Heteronucl_NOE_list.Sf_framecode heteronuclear_noe_list_1 _Heteronucl_NOE_list.Entry_ID 18971 _Heteronucl_NOE_list.ID 1 _Heteronucl_NOE_list.Sample_condition_list_ID 1 _Heteronucl_NOE_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_NOE_list.Spectrometer_frequency_1H 600.17 _Heteronucl_NOE_list.Heteronuclear_NOE_val_type 'peak height' _Heteronucl_NOE_list.NOE_ref_val 10000 _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 27 '2D 1H-15N heteronuclear NOE' . . . 18971 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 3 3 MET N N 15 . 1 1 3 3 MET H H 1 0.3418049 0.02888164 . . . 418 M . . 418 M . 18971 1 2 . 1 1 4 4 GLU N N 15 . 1 1 4 4 GLU H H 1 -0.19 0.0067 . . . 419 E . . 419 E . 18971 1 3 . 1 1 5 5 GLN N N 15 . 1 1 5 5 GLN H H 1 0.023 0.0008 . . . 420 Q . . 420 Q . 18971 1 4 . 1 1 6 6 GLY N N 15 . 1 1 6 6 GLY H H 1 0.209 0.0073 . . . 421 G . . 421 G . 18971 1 5 . 1 1 7 7 PHE N N 15 . 1 1 7 7 PHE H H 1 0.411 0.0144 . . . 422 F . . 422 F . 18971 1 6 . 1 1 8 8 LEU N N 15 . 1 1 8 8 LEU H H 1 0.575 0.0201 . . . 423 L . . 423 L . 18971 1 7 . 1 1 10 10 LYS N N 15 . 1 1 10 10 LYS H H 1 0.676 0.0237 . . . 425 K . . 425 K . 18971 1 8 . 1 1 12 12 TRP N N 15 . 1 1 12 12 TRP H H 1 0.734 0.0257 . . . 427 W . . 427 W . 18971 1 9 . 1 1 13 13 GLU N N 15 . 1 1 13 13 GLU H H 1 0.723 0.0253 . . . 428 E . . 428 E . 18971 1 10 . 1 1 14 14 VAL N N 15 . 1 1 14 14 VAL H H 1 0.708 0.0248 . . . 429 V . . 429 V . 18971 1 11 . 1 1 15 15 ARG N N 15 . 1 1 15 15 ARG H H 1 0.709 0.0248 . . . 430 R . . 430 R . 18971 1 12 . 1 1 16 16 HIS N N 15 . 1 1 16 16 HIS H H 1 0.676 0.0237 . . . 431 H . . 431 H . 18971 1 13 . 1 1 17 17 ALA N N 15 . 1 1 17 17 ALA H H 1 0.72 0.0252 . . . 432 A . . 432 A . 18971 1 14 . 1 1 19 19 ASN N N 15 . 1 1 19 19 ASN H H 1 0.672 0.0235 . . . 434 N . . 434 N . 18971 1 15 . 1 1 20 20 GLY N N 15 . 1 1 20 20 GLY H H 1 0.693 0.0243 . . . 435 G . . 435 G . 18971 1 16 . 1 1 21 21 ARG N N 15 . 1 1 21 21 ARG H H 1 0.687 0.024 . . . 436 R . . 436 R . 18971 1 17 . 1 1 23 23 PHE N N 15 . 1 1 23 23 PHE H H 1 0.722 0.0253 . . . 438 F . . 438 F . 18971 1 18 . 1 1 24 24 PHE N N 15 . 1 1 24 24 PHE H H 1 0.724 0.0253 . . . 439 F . . 439 F . 18971 1 19 . 1 1 25 25 ILE N N 15 . 1 1 25 25 ILE H H 1 0.717 0.0251 . . . 440 I . . 440 I . 18971 1 20 . 1 1 26 26 ASP N N 15 . 1 1 26 26 ASP H H 1 0.729 0.0255 . . . 441 D . . 441 D . 18971 1 21 . 1 1 27 27 HIS N N 15 . 1 1 27 27 HIS H H 1 0.726 0.0254 . . . 442 H . . 442 H . 18971 1 22 . 1 1 28 28 ASN N N 15 . 1 1 28 28 ASN H H 1 0.723 0.0253 . . . 443 N . . 443 N . 18971 1 23 . 1 1 29 29 THR N N 15 . 1 1 29 29 THR H H 1 0.698 0.0244 . . . 444 T . . 444 T . 18971 1 24 . 1 1 30 30 LYS N N 15 . 1 1 30 30 LYS H H 1 0.734 0.0257 . . . 445 K . . 445 K . 18971 1 25 . 1 1 31 31 THR N N 15 . 1 1 31 31 THR H H 1 0.734 0.0257 . . . 446 T . . 446 T . 18971 1 26 . 1 1 32 32 THR N N 15 . 1 1 32 32 THR H H 1 0.719 0.0252 . . . 447 T . . 447 T . 18971 1 27 . 1 1 34 34 TRP N N 15 . 1 1 34 34 TRP H H 1 0.727 0.0254 . . . 449 W . . 449 W . 18971 1 28 . 1 1 35 35 GLU N N 15 . 1 1 35 35 GLU H H 1 0.715 0.025 . . . 450 E . . 450 E . 18971 1 29 . 1 1 36 36 ASP N N 15 . 1 1 36 36 ASP H H 1 0.7 0.0245 . . . 451 D . . 451 D . 18971 1 30 . 1 1 38 38 ARG N N 15 . 1 1 38 38 ARG H H 1 0.701 0.0245 . . . 453 R . . 453 R . 18971 1 31 . 1 1 39 39 LEU N N 15 . 1 1 39 39 LEU H H 1 0.664 0.0232 . . . 454 L . . 454 L . 18971 1 32 . 1 1 40 40 LYS N N 15 . 1 1 40 40 LYS H H 1 0.41 0.0143 . . . 455 K . . 455 K . 18971 1 33 . 1 1 41 41 ILE N N 15 . 1 1 41 41 ILE H H 1 -0.022 0.0008 . . . 456 I . . 456 I . 18971 1 34 . 1 1 43 43 ALA N N 15 . 1 1 43 43 ALA H H 1 -0.63 0.0221 . . . 458 A . . 458 A . 18971 1 stop_ save_ ############################## # Heteronuclear NOE values # ############################## save_heteronuclear_noe_list_2 _Heteronucl_NOE_list.Sf_category heteronucl_NOEs _Heteronucl_NOE_list.Sf_framecode heteronuclear_noe_list_2 _Heteronucl_NOE_list.Entry_ID 18971 _Heteronucl_NOE_list.ID 2 _Heteronucl_NOE_list.Sample_condition_list_ID 1 _Heteronucl_NOE_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_NOE_list.Spectrometer_frequency_1H 799.857 _Heteronucl_NOE_list.Heteronuclear_NOE_val_type 'peak height' _Heteronucl_NOE_list.NOE_ref_val 10000 _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 27 '2D 1H-15N heteronuclear NOE' . . . 18971 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 3 3 MET N N 15 . 1 1 3 3 MET H H 1 0.40339927 0.03648636 . . . 418 M . . 418 M . 18971 2 2 . 1 1 4 4 GLU N N 15 . 1 1 4 4 GLU H H 1 0.071 0.0025 . . . 419 E . . 419 E . 18971 2 3 . 1 1 5 5 GLN N N 15 . 1 1 5 5 GLN H H 1 0.29 0.0102 . . . 420 Q . . 420 Q . 18971 2 4 . 1 1 6 6 GLY N N 15 . 1 1 6 6 GLY H H 1 0.418 0.0146 . . . 421 G . . 421 G . 18971 2 5 . 1 1 7 7 PHE N N 15 . 1 1 7 7 PHE H H 1 0.569 0.0199 . . . 422 F . . 422 F . 18971 2 6 . 1 1 8 8 LEU N N 15 . 1 1 8 8 LEU H H 1 0.714 0.025 . . . 423 L . . 423 L . 18971 2 7 . 1 1 10 10 LYS N N 15 . 1 1 10 10 LYS H H 1 0.75 0.0263 . . . 425 K . . 425 K . 18971 2 8 . 1 1 12 12 TRP N N 15 . 1 1 12 12 TRP H H 1 0.787 0.0275 . . . 427 W . . 427 W . 18971 2 9 . 1 1 13 13 GLU N N 15 . 1 1 13 13 GLU H H 1 0.78 0.0273 . . . 428 E . . 428 E . 18971 2 10 . 1 1 14 14 VAL N N 15 . 1 1 14 14 VAL H H 1 0.823 0.0288 . . . 429 V . . 429 V . 18971 2 11 . 1 1 15 15 ARG N N 15 . 1 1 15 15 ARG H H 1 0.794 0.0278 . . . 430 R . . 430 R . 18971 2 12 . 1 1 16 16 HIS N N 15 . 1 1 16 16 HIS H H 1 0.778 0.0272 . . . 431 H . . 431 H . 18971 2 13 . 1 1 17 17 ALA N N 15 . 1 1 17 17 ALA H H 1 0.79 0.0277 . . . 432 A . . 432 A . 18971 2 14 . 1 1 19 19 ASN N N 15 . 1 1 19 19 ASN H H 1 0.742 0.026 . . . 434 N . . 434 N . 18971 2 15 . 1 1 20 20 GLY N N 15 . 1 1 20 20 GLY H H 1 0.764 0.0267 . . . 435 G . . 435 G . 18971 2 16 . 1 1 21 21 ARG N N 15 . 1 1 21 21 ARG H H 1 0.738 0.0258 . . . 436 R . . 436 R . 18971 2 17 . 1 1 23 23 PHE N N 15 . 1 1 23 23 PHE H H 1 0.785 0.0275 . . . 438 F . . 438 F . 18971 2 18 . 1 1 24 24 PHE N N 15 . 1 1 24 24 PHE H H 1 0.793 0.0278 . . . 439 F . . 439 F . 18971 2 19 . 1 1 25 25 ILE N N 15 . 1 1 25 25 ILE H H 1 0.786 0.0275 . . . 440 I . . 440 I . 18971 2 20 . 1 1 26 26 ASP N N 15 . 1 1 26 26 ASP H H 1 0.808 0.0283 . . . 441 D . . 441 D . 18971 2 21 . 1 1 27 27 HIS N N 15 . 1 1 27 27 HIS H H 1 0.784 0.0274 . . . 442 H . . 442 H . 18971 2 22 . 1 1 28 28 ASN N N 15 . 1 1 28 28 ASN H H 1 0.776 0.0272 . . . 443 N . . 443 N . 18971 2 23 . 1 1 29 29 THR N N 15 . 1 1 29 29 THR H H 1 0.779 0.0273 . . . 444 T . . 444 T . 18971 2 24 . 1 1 30 30 LYS N N 15 . 1 1 30 30 LYS H H 1 0.838 0.0293 . . . 445 K . . 445 K . 18971 2 25 . 1 1 31 31 THR N N 15 . 1 1 31 31 THR H H 1 0.796 0.0279 . . . 446 T . . 446 T . 18971 2 26 . 1 1 32 32 THR N N 15 . 1 1 32 32 THR H H 1 0.811 0.0284 . . . 447 T . . 447 T . 18971 2 27 . 1 1 34 34 TRP N N 15 . 1 1 34 34 TRP H H 1 0.787 0.0275 . . . 449 W . . 449 W . 18971 2 28 . 1 1 35 35 GLU N N 15 . 1 1 35 35 GLU H H 1 0.807 0.0282 . . . 450 E . . 450 E . 18971 2 29 . 1 1 36 36 ASP N N 15 . 1 1 36 36 ASP H H 1 0.781 0.0273 . . . 451 D . . 451 D . 18971 2 30 . 1 1 38 38 ARG N N 15 . 1 1 38 38 ARG H H 1 0.79 0.0277 . . . 453 R . . 453 R . 18971 2 31 . 1 1 39 39 LEU N N 15 . 1 1 39 39 LEU H H 1 0.7 0.0245 . . . 454 L . . 454 L . 18971 2 32 . 1 1 40 40 LYS N N 15 . 1 1 40 40 LYS H H 1 0.541 0.0189 . . . 455 K . . 455 K . 18971 2 33 . 1 1 41 41 ILE N N 15 . 1 1 41 41 ILE H H 1 0.237 0.0083 . . . 456 I . . 456 I . 18971 2 34 . 1 1 43 43 ALA N N 15 . 1 1 43 43 ALA H H 1 -0.573 0.0201 . . . 458 A . . 458 A . 18971 2 stop_ save_ ############################## # Heteronuclear NOE values # ############################## save_heteronuclear_noe_list_3 _Heteronucl_NOE_list.Sf_category heteronucl_NOEs _Heteronucl_NOE_list.Sf_framecode heteronuclear_noe_list_3 _Heteronucl_NOE_list.Entry_ID 18971 _Heteronucl_NOE_list.ID 3 _Heteronucl_NOE_list.Sample_condition_list_ID 1 _Heteronucl_NOE_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_NOE_list.Spectrometer_frequency_1H 899.864 _Heteronucl_NOE_list.Heteronuclear_NOE_val_type 'peak height' _Heteronucl_NOE_list.NOE_ref_val 10000 _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 27 '2D 1H-15N heteronuclear NOE' . . . 18971 3 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 3 3 MET N N 15 . 1 1 3 3 MET H H 1 0.50262984 0.03696412 . . . 418 M . . 418 M . 18971 3 2 . 1 1 4 4 GLU N N 15 . 1 1 4 4 GLU H H 1 0.187 0.0065 . . . 419 E . . 419 E . 18971 3 3 . 1 1 5 5 GLN N N 15 . 1 1 5 5 GLN H H 1 0.311 0.0109 . . . 420 Q . . 420 Q . 18971 3 4 . 1 1 6 6 GLY N N 15 . 1 1 6 6 GLY H H 1 0.431 0.0151 . . . 421 G . . 421 G . 18971 3 5 . 1 1 7 7 PHE N N 15 . 1 1 7 7 PHE H H 1 0.54 0.0189 . . . 422 F . . 422 F . 18971 3 6 . 1 1 8 8 LEU N N 15 . 1 1 8 8 LEU H H 1 0.738 0.0258 . . . 423 L . . 423 L . 18971 3 7 . 1 1 10 10 LYS N N 15 . 1 1 10 10 LYS H H 1 0.811 0.0284 . . . 425 K . . 425 K . 18971 3 8 . 1 1 12 12 TRP N N 15 . 1 1 12 12 TRP H H 1 0.86 0.0301 . . . 427 W . . 427 W . 18971 3 9 . 1 1 13 13 GLU N N 15 . 1 1 13 13 GLU H H 1 0.797 0.0279 . . . 428 E . . 428 E . 18971 3 10 . 1 1 14 14 VAL N N 15 . 1 1 14 14 VAL H H 1 0.815 0.0285 . . . 429 V . . 429 V . 18971 3 11 . 1 1 15 15 ARG N N 15 . 1 1 15 15 ARG H H 1 0.793 0.0278 . . . 430 R . . 430 R . 18971 3 12 . 1 1 16 16 HIS N N 15 . 1 1 16 16 HIS H H 1 0.789 0.0276 . . . 431 H . . 431 H . 18971 3 13 . 1 1 17 17 ALA N N 15 . 1 1 17 17 ALA H H 1 0.789 0.0276 . . . 432 A . . 432 A . 18971 3 14 . 1 1 19 19 ASN N N 15 . 1 1 19 19 ASN H H 1 0.768 0.0269 . . . 434 N . . 434 N . 18971 3 15 . 1 1 20 20 GLY N N 15 . 1 1 20 20 GLY H H 1 0.773 0.0271 . . . 435 G . . 435 G . 18971 3 16 . 1 1 21 21 ARG N N 15 . 1 1 21 21 ARG H H 1 0.762 0.0267 . . . 436 R . . 436 R . 18971 3 17 . 1 1 23 23 PHE N N 15 . 1 1 23 23 PHE H H 1 0.804 0.0281 . . . 438 F . . 438 F . 18971 3 18 . 1 1 24 24 PHE N N 15 . 1 1 24 24 PHE H H 1 0.838 0.0293 . . . 439 F . . 439 F . 18971 3 19 . 1 1 25 25 ILE N N 15 . 1 1 25 25 ILE H H 1 0.792 0.0277 . . . 440 I . . 440 I . 18971 3 20 . 1 1 26 26 ASP N N 15 . 1 1 26 26 ASP H H 1 0.8 0.028 . . . 441 D . . 441 D . 18971 3 21 . 1 1 27 27 HIS N N 15 . 1 1 27 27 HIS H H 1 0.797 0.0279 . . . 442 H . . 442 H . 18971 3 22 . 1 1 28 28 ASN N N 15 . 1 1 28 28 ASN H H 1 0.805 0.0282 . . . 443 N . . 443 N . 18971 3 23 . 1 1 29 29 THR N N 15 . 1 1 29 29 THR H H 1 0.805 0.0282 . . . 444 T . . 444 T . 18971 3 24 . 1 1 30 30 LYS N N 15 . 1 1 30 30 LYS H H 1 0.844 0.0295 . . . 445 K . . 445 K . 18971 3 25 . 1 1 31 31 THR N N 15 . 1 1 31 31 THR H H 1 0.826 0.0289 . . . 446 T . . 446 T . 18971 3 26 . 1 1 32 32 THR N N 15 . 1 1 32 32 THR H H 1 0.814 0.0285 . . . 447 T . . 447 T . 18971 3 27 . 1 1 34 34 TRP N N 15 . 1 1 34 34 TRP H H 1 0.804 0.0281 . . . 449 W . . 449 W . 18971 3 28 . 1 1 35 35 GLU N N 15 . 1 1 35 35 GLU H H 1 0.809 0.0283 . . . 450 E . . 450 E . 18971 3 29 . 1 1 36 36 ASP N N 15 . 1 1 36 36 ASP H H 1 0.817 0.0286 . . . 451 D . . 451 D . 18971 3 30 . 1 1 38 38 ARG N N 15 . 1 1 38 38 ARG H H 1 0.83 0.0291 . . . 453 R . . 453 R . 18971 3 31 . 1 1 39 39 LEU N N 15 . 1 1 39 39 LEU H H 1 0.787 0.0275 . . . 454 L . . 454 L . 18971 3 32 . 1 1 40 40 LYS N N 15 . 1 1 40 40 LYS H H 1 0.539 0.0189 . . . 455 K . . 455 K . 18971 3 33 . 1 1 41 41 ILE N N 15 . 1 1 41 41 ILE H H 1 0.378 0.0132 . . . 456 I . . 456 I . 18971 3 34 . 1 1 43 43 ALA N N 15 . 1 1 43 43 ALA H H 1 -0.072 0.0025 . . . 458 A . . 458 A . 18971 3 stop_ save_