############################## # Heteronuclear NOE values # ############################## save_heteronucl_NOEs_1 _Heteronucl_NOE_list.Sf_category heteronucl_NOEs _Heteronucl_NOE_list.Sf_framecode heteronucl_NOEs_1 _Heteronucl_NOE_list.Entry_ID 51414 _Heteronucl_NOE_list.ID 1 _Heteronucl_NOE_list.Name 'BD2 15N-NOE 600' _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 _Heteronucl_NOE_list.Heteronuclear_NOE_val_type 'relative intensities' _Heteronucl_NOE_list.NOE_ref_val 1 _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 10 '1H-15N heteronoe' . . . 51414 1 stop_ loop_ _Heteronucl_NOE_software.Software_ID _Heteronucl_NOE_software.Software_label _Heteronucl_NOE_software.Method_ID _Heteronucl_NOE_software.Method_label _Heteronucl_NOE_software.Entry_ID _Heteronucl_NOE_software.Heteronucl_NOE_list_ID 3 $software_3 . . 51414 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 ALA N N 15 . 1 1 3 3 ALA H H 1 -0.7763 0.021679 . . . 343 ALA N . 343 ALA H 51414 1 2 . 1 1 5 5 GLU N N 15 . 1 1 5 5 GLU H H 1 -0.2943 0.014655 . . . 345 GLU N . 345 GLU H 51414 1 3 . 1 1 6 6 LYS N N 15 . 1 1 6 6 LYS H H 1 -0.0624 0.023626 . . . 346 LYS N . 346 LYS H 51414 1 4 . 1 1 7 7 SER N N 15 . 1 1 7 7 SER H H 1 0.2176 0.049702 . . . 347 SER N . 347 SER H 51414 1 5 . 1 1 10 10 VAL N N 15 . 1 1 10 10 VAL H H 1 0.5153 0.022797 . . . 350 VAL N . 350 VAL H 51414 1 6 . 1 1 11 11 SER N N 15 . 1 1 11 11 SER H H 1 0.5835 0.02486 . . . 351 SER N . 351 SER H 51414 1 7 . 1 1 12 12 GLU N N 15 . 1 1 12 12 GLU H H 1 0.7964 0.048756 . . . 352 GLU N . 352 GLU H 51414 1 8 . 1 1 13 13 GLN N N 15 . 1 1 13 13 GLN H H 1 0.7488 0.036716 . . . 353 GLN N . 353 GLN H 51414 1 9 . 1 1 14 14 LEU N N 15 . 1 1 14 14 LEU H H 1 0.8467 0.029886 . . . 354 LEU N . 354 LEU H 51414 1 10 . 1 1 15 15 LYS N N 15 . 1 1 15 15 LYS H H 1 0.8358 0.026948 . . . 355 LYS N . 355 LYS H 51414 1 11 . 1 1 16 16 CYS N N 15 . 1 1 16 16 CYS H H 1 0.7068 0.025448 . . . 356 CYS N . 356 CYS H 51414 1 12 . 1 1 17 17 CYS N N 15 . 1 1 17 17 CYS H H 1 0.8101 0.03187 . . . 357 CYS N . 357 CYS H 51414 1 13 . 1 1 18 18 SER N N 15 . 1 1 18 18 SER H H 1 0.7983 0.022152 . . . 358 SER N . 358 SER H 51414 1 14 . 1 1 19 19 GLY N N 15 . 1 1 19 19 GLY H H 1 0.8943 0.02961 . . . 359 GLY N . 359 GLY H 51414 1 15 . 1 1 20 20 ILE N N 15 . 1 1 20 20 ILE H H 1 0.8282 0.02765 . . . 360 ILE N . 360 ILE H 51414 1 16 . 1 1 21 21 LEU N N 15 . 1 1 21 21 LEU H H 1 0.7708 0.022626 . . . 361 LEU N . 361 LEU H 51414 1 17 . 1 1 22 22 LYS N N 15 . 1 1 22 22 LYS H H 1 0.8269 0.022044 . . . 362 LYS N . 362 LYS H 51414 1 18 . 1 1 23 23 GLU N N 15 . 1 1 23 23 GLU H H 1 0.825 0.023552 . . . 363 GLU N . 363 GLU H 51414 1 19 . 1 1 24 24 MET N N 15 . 1 1 24 24 MET H H 1 0.7954 0.025951 . . . 364 MET N . 364 MET H 51414 1 20 . 1 1 25 25 PHE N N 15 . 1 1 25 25 PHE H H 1 0.7827 0.023321 . . . 365 PHE N . 365 PHE H 51414 1 21 . 1 1 26 26 ALA N N 15 . 1 1 26 26 ALA H H 1 0.8065 0.019725 . . . 366 ALA N . 366 ALA H 51414 1 22 . 1 1 29 29 HIS N N 15 . 1 1 29 29 HIS H H 1 0.7571 0.025917 . . . 369 HIS N . 369 HIS H 51414 1 23 . 1 1 30 30 ALA N N 15 . 1 1 30 30 ALA H H 1 0.7833 0.021526 . . . 370 ALA N . 370 ALA H 51414 1 24 . 1 1 31 31 ALA N N 15 . 1 1 31 31 ALA H H 1 0.8434 0.021267 . . . 371 ALA N . 371 ALA H 51414 1 25 . 1 1 32 32 TYR N N 15 . 1 1 32 32 TYR H H 1 0.907 0.051646 . . . 372 TYR N . 372 TYR H 51414 1 26 . 1 1 33 33 ALA N N 15 . 1 1 33 33 ALA H H 1 0.801 0.034342 . . . 373 ALA N . 373 ALA H 51414 1 27 . 1 1 34 34 TRP N N 15 . 1 1 34 34 TRP H H 1 0.8162 0.022896 . . . 374 TRP N . 374 TRP H 51414 1 28 . 1 1 36 36 PHE N N 15 . 1 1 36 36 PHE H H 1 0.7921 0.021849 . . . 376 PHE N . 376 PHE H 51414 1 29 . 1 1 37 37 TYR N N 15 . 1 1 37 37 TYR H H 1 0.8348 0.023757 . . . 377 TYR N . 377 TYR H 51414 1 30 . 1 1 38 38 LYS N N 15 . 1 1 38 38 LYS H H 1 0.8225 0.019095 . . . 378 LYS N . 378 LYS H 51414 1 31 . 1 1 40 40 VAL N N 15 . 1 1 40 40 VAL H H 1 0.7897 0.022113 . . . 380 VAL N . 380 VAL H 51414 1 32 . 1 1 41 41 ASP N N 15 . 1 1 41 41 ASP H H 1 0.7401 0.019247 . . . 381 ASP N . 381 ASP H 51414 1 33 . 1 1 42 42 VAL N N 15 . 1 1 42 42 VAL H H 1 0.6891 0.021192 . . . 382 VAL N . 382 VAL H 51414 1 34 . 1 1 43 43 GLU N N 15 . 1 1 43 43 GLU H H 1 0.7242 0.020729 . . . 383 GLU N . 383 GLU H 51414 1 35 . 1 1 44 44 ALA N N 15 . 1 1 44 44 ALA H H 1 0.7348 0.021511 . . . 384 ALA N . 384 ALA H 51414 1 36 . 1 1 45 45 LEU N N 15 . 1 1 45 45 LEU H H 1 0.7143 0.033433 . . . 385 LEU N . 385 LEU H 51414 1 37 . 1 1 46 46 GLY N N 15 . 1 1 46 46 GLY H H 1 0.7894 0.046436 . . . 386 GLY N . 386 GLY H 51414 1 38 . 1 1 47 47 LEU N N 15 . 1 1 47 47 LEU H H 1 0.7467 0.022391 . . . 387 LEU N . 387 LEU H 51414 1 39 . 1 1 49 49 ASP N N 15 . 1 1 49 49 ASP H H 1 0.7064 0.044193 . . . 389 ASP N . 389 ASP H 51414 1 40 . 1 1 50 50 TYR N N 15 . 1 1 50 50 TYR H H 1 0.8178 0.028621 . . . 390 TYR N . 390 TYR H 51414 1 41 . 1 1 51 51 CYS N N 15 . 1 1 51 51 CYS H H 1 0.8216 0.024559 . . . 391 CYS N . 391 CYS H 51414 1 42 . 1 1 52 52 ASP N N 15 . 1 1 52 52 ASP H H 1 0.7164 0.025035 . . . 392 ASP N . 392 ASP H 51414 1 43 . 1 1 53 53 ILE N N 15 . 1 1 53 53 ILE H H 1 0.7681 0.02758 . . . 393 ILE N . 393 ILE H 51414 1 44 . 1 1 54 54 ILE N N 15 . 1 1 54 54 ILE H H 1 0.7681 0.02928 . . . 394 ILE N . 394 ILE H 51414 1 45 . 1 1 55 55 LYS N N 15 . 1 1 55 55 LYS H H 1 0.8177 0.033075 . . . 395 LYS N . 395 LYS H 51414 1 46 . 1 1 56 56 HIS N N 15 . 1 1 56 56 HIS H H 1 0.7558 0.019747 . . . 396 HIS N . 396 HIS H 51414 1 47 . 1 1 58 58 MET N N 15 . 1 1 58 58 MET H H 1 0.81 0.027222 . . . 398 MET N . 398 MET H 51414 1 48 . 1 1 59 59 ASP N N 15 . 1 1 59 59 ASP H H 1 0.8217 0.017312 . . . 399 ASP N . 399 ASP H 51414 1 49 . 1 1 60 60 MET N N 15 . 1 1 60 60 MET H H 1 0.8465 0.021207 . . . 400 MET N . 400 MET H 51414 1 50 . 1 1 61 61 SER N N 15 . 1 1 61 61 SER H H 1 0.805 0.018905 . . . 401 SER N . 401 SER H 51414 1 51 . 1 1 62 62 THR N N 15 . 1 1 62 62 THR H H 1 0.7783 0.03064 . . . 402 THR N . 402 THR H 51414 1 52 . 1 1 63 63 ILE N N 15 . 1 1 63 63 ILE H H 1 0.8281 0.023979 . . . 403 ILE N . 403 ILE H 51414 1 53 . 1 1 64 64 LYS N N 15 . 1 1 64 64 LYS H H 1 0.8064 0.02113 . . . 404 LYS N . 404 LYS H 51414 1 54 . 1 1 65 65 SER N N 15 . 1 1 65 65 SER H H 1 0.8082 0.021108 . . . 405 SER N . 405 SER H 51414 1 55 . 1 1 66 66 LYS N N 15 . 1 1 66 66 LYS H H 1 0.8675 0.023116 . . . 406 LYS N . 406 LYS H 51414 1 56 . 1 1 67 67 LEU N N 15 . 1 1 67 67 LEU H H 1 0.8409 0.023259 . . . 407 LEU N . 407 LEU H 51414 1 57 . 1 1 68 68 GLU N N 15 . 1 1 68 68 GLU H H 1 0.8063 0.022776 . . . 408 GLU N . 408 GLU H 51414 1 58 . 1 1 69 69 ALA N N 15 . 1 1 69 69 ALA H H 1 0.8214 0.022047 . . . 409 ALA N . 409 ALA H 51414 1 59 . 1 1 70 70 ARG N N 15 . 1 1 70 70 ARG H H 1 0.8175 0.02025 . . . 410 ARG N . 410 ARG H 51414 1 60 . 1 1 71 71 GLU N N 15 . 1 1 71 71 GLU H H 1 0.8016 0.019992 . . . 411 GLU N . 411 GLU H 51414 1 61 . 1 1 72 72 TYR N N 15 . 1 1 72 72 TYR H H 1 0.6927 0.017955 . . . 412 TYR N . 412 TYR H 51414 1 62 . 1 1 73 73 ARG N N 15 . 1 1 73 73 ARG H H 1 0.7487 0.019123 . . . 413 ARG N . 413 ARG H 51414 1 63 . 1 1 74 74 ASP N N 15 . 1 1 74 74 ASP H H 1 0.7867 0.01923 . . . 414 ASP N . 414 ASP H 51414 1 64 . 1 1 75 75 ALA N N 15 . 1 1 75 75 ALA H H 1 0.743 0.023346 . . . 415 ALA N . 415 ALA H 51414 1 65 . 1 1 76 76 GLN N N 15 . 1 1 76 76 GLN H H 1 0.7891 0.023726 . . . 416 GLN N . 416 GLN H 51414 1 66 . 1 1 77 77 GLU N N 15 . 1 1 77 77 GLU H H 1 0.81 0.024998 . . . 417 GLU N . 417 GLU H 51414 1 67 . 1 1 78 78 PHE N N 15 . 1 1 78 78 PHE H H 1 0.8731 0.02701 . . . 418 PHE N . 418 PHE H 51414 1 68 . 1 1 79 79 GLY N N 15 . 1 1 79 79 GLY H H 1 0.8045 0.028545 . . . 419 GLY N . 419 GLY H 51414 1 69 . 1 1 80 80 ALA N N 15 . 1 1 80 80 ALA H H 1 0.8232 0.021308 . . . 420 ALA N . 420 ALA H 51414 1 70 . 1 1 81 81 ASP N N 15 . 1 1 81 81 ASP H H 1 0.7985 0.02307 . . . 421 ASP N . 421 ASP H 51414 1 71 . 1 1 82 82 VAL N N 15 . 1 1 82 82 VAL H H 1 0.8679 0.030444 . . . 422 VAL N . 422 VAL H 51414 1 72 . 1 1 83 83 ARG N N 15 . 1 1 83 83 ARG H H 1 0.7692 0.027569 . . . 423 ARG N . 423 ARG H 51414 1 73 . 1 1 84 84 LEU N N 15 . 1 1 84 84 LEU H H 1 0.9024 0.044815 . . . 424 LEU N . 424 LEU H 51414 1 74 . 1 1 85 85 MET N N 15 . 1 1 85 85 MET H H 1 0.764 0.024863 . . . 425 MET N . 425 MET H 51414 1 75 . 1 1 86 86 PHE N N 15 . 1 1 86 86 PHE H H 1 0.8681 0.029304 . . . 426 PHE N . 426 PHE H 51414 1 76 . 1 1 87 87 SER N N 15 . 1 1 87 87 SER H H 1 0.7253 0.059184 . . . 427 SER N . 427 SER H 51414 1 77 . 1 1 89 89 CYS N N 15 . 1 1 89 89 CYS H H 1 0.873 0.028951 . . . 429 CYS N . 429 CYS H 51414 1 78 . 1 1 90 90 TYR N N 15 . 1 1 90 90 TYR H H 1 0.8477 0.046233 . . . 430 TYR N . 430 TYR H 51414 1 79 . 1 1 96 96 ASP N N 15 . 1 1 96 96 ASP H H 1 0.8191 0.026164 . . . 436 ASP N . 436 ASP H 51414 1 80 . 1 1 97 97 HIS N N 15 . 1 1 97 97 HIS H H 1 0.8277 0.033251 . . . 437 HIS N . 437 HIS H 51414 1 81 . 1 1 98 98 GLU N N 15 . 1 1 98 98 GLU H H 1 0.8387 0.038288 . . . 438 GLU N . 438 GLU H 51414 1 82 . 1 1 100 100 VAL N N 15 . 1 1 100 100 VAL H H 1 0.8548 0.031021 . . . 440 VAL N . 440 VAL H 51414 1 83 . 1 1 101 101 ALA N N 15 . 1 1 101 101 ALA H H 1 0.7957 0.036297 . . . 441 ALA N . 441 ALA H 51414 1 84 . 1 1 102 102 MET N N 15 . 1 1 102 102 MET H H 1 0.7628 0.025524 . . . 442 MET N . 442 MET H 51414 1 85 . 1 1 103 103 ALA N N 15 . 1 1 103 103 ALA H H 1 0.8291 0.025123 . . . 443 ALA N . 443 ALA H 51414 1 86 . 1 1 104 104 ARG N N 15 . 1 1 104 104 ARG H H 1 0.909 0.062237 . . . 444 ARG N . 444 ARG H 51414 1 87 . 1 1 105 105 LYS N N 15 . 1 1 105 105 LYS H H 1 0.8348 0.032237 . . . 445 LYS N . 445 LYS H 51414 1 88 . 1 1 106 106 LEU N N 15 . 1 1 106 106 LEU H H 1 0.8062 0.032626 . . . 446 LEU N . 446 LEU H 51414 1 89 . 1 1 107 107 GLN N N 15 . 1 1 107 107 GLN H H 1 0.8175 0.041666 . . . 447 GLN N . 447 GLN H 51414 1 90 . 1 1 109 109 VAL N N 15 . 1 1 109 109 VAL H H 1 0.6818 0.099621 . . . 449 VAL N . 449 VAL H 51414 1 91 . 1 1 110 110 PHE N N 15 . 1 1 110 110 PHE H H 1 0.8033 0.027737 . . . 450 PHE N . 450 PHE H 51414 1 92 . 1 1 111 111 GLU N N 15 . 1 1 111 111 GLU H H 1 0.836 0.036544 . . . 451 GLU N . 451 GLU H 51414 1 93 . 1 1 113 113 ARG N N 15 . 1 1 113 113 ARG H H 1 0.8227 0.037084 . . . 453 ARG N . 453 ARG H 51414 1 94 . 1 1 114 114 PHE N N 15 . 1 1 114 114 PHE H H 1 0.8774 0.045529 . . . 454 PHE N . 454 PHE H 51414 1 95 . 1 1 115 115 ALA N N 15 . 1 1 115 115 ALA H H 1 0.8314 0.024449 . . . 455 ALA N . 455 ALA H 51414 1 96 . 1 1 119 119 ASP N N 15 . 1 1 119 119 ASP H H 1 0.321 0.014975 . . . 459 ASP N . 459 ASP H 51414 1 97 . 1 1 120 120 GLU N N 15 . 1 1 120 120 GLU H H 1 0.0507 0.014036 . . . 460 GLU N . 460 GLU H 51414 1 stop_ save_ ############################## # Heteronuclear NOE values # ############################## save_heteronucl_NOEs_2 _Heteronucl_NOE_list.Sf_category heteronucl_NOEs _Heteronucl_NOE_list.Sf_framecode heteronucl_NOEs_2 _Heteronucl_NOE_list.Entry_ID 51414 _Heteronucl_NOE_list.ID 2 _Heteronucl_NOE_list.Name 'BD2 15N-NOE 800' _Heteronucl_NOE_list.Sample_condition_list_ID 1 _Heteronucl_NOE_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_NOE_list.Spectrometer_frequency_1H 800 _Heteronucl_NOE_list.Heteronuclear_NOE_val_type 'relative intensities' _Heteronucl_NOE_list.NOE_ref_val 1 _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 11 '1H-15N heteronoe' . . . 51414 2 stop_ loop_ _Heteronucl_NOE_software.Software_ID _Heteronucl_NOE_software.Software_label _Heteronucl_NOE_software.Method_ID _Heteronucl_NOE_software.Method_label _Heteronucl_NOE_software.Entry_ID _Heteronucl_NOE_software.Heteronucl_NOE_list_ID 3 $software_3 . . 51414 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 ALA N N 15 . 1 1 3 3 ALA H H 1 -0.217 0.018295 . . . 343 ALA N . 343 ALA H 51414 2 2 . 1 1 5 5 GLU N N 15 . 1 1 5 5 GLU H H 1 0.1491 0.016206 . . . 345 GLU N . 345 GLU H 51414 2 3 . 1 1 6 6 LYS N N 15 . 1 1 6 6 LYS H H 1 0.2584 0.026192 . . . 346 LYS N . 346 LYS H 51414 2 4 . 1 1 7 7 SER N N 15 . 1 1 7 7 SER H H 1 0.3573 0.047306 . . . 347 SER N . 347 SER H 51414 2 5 . 1 1 10 10 VAL N N 15 . 1 1 10 10 VAL H H 1 0.6089 0.023631 . . . 350 VAL N . 350 VAL H 51414 2 6 . 1 1 11 11 SER N N 15 . 1 1 11 11 SER H H 1 0.7418 0.02967 . . . 351 SER N . 351 SER H 51414 2 7 . 1 1 12 12 GLU N N 15 . 1 1 12 12 GLU H H 1 0.7994 0.060692 . . . 352 GLU N . 352 GLU H 51414 2 8 . 1 1 13 13 GLN N N 15 . 1 1 13 13 GLN H H 1 0.7416 0.044242 . . . 353 GLN N . 353 GLN H 51414 2 9 . 1 1 14 14 LEU N N 15 . 1 1 14 14 LEU H H 1 0.8536 0.035053 . . . 354 LEU N . 354 LEU H 51414 2 10 . 1 1 15 15 LYS N N 15 . 1 1 15 15 LYS H H 1 0.8752 0.026827 . . . 355 LYS N . 355 LYS H 51414 2 11 . 1 1 16 16 CYS N N 15 . 1 1 16 16 CYS H H 1 0.8893 0.027914 . . . 356 CYS N . 356 CYS H 51414 2 12 . 1 1 17 17 CYS N N 15 . 1 1 17 17 CYS H H 1 0.7824 0.032927 . . . 357 CYS N . 357 CYS H 51414 2 13 . 1 1 18 18 SER N N 15 . 1 1 18 18 SER H H 1 0.8636 0.02492 . . . 358 SER N . 358 SER H 51414 2 14 . 1 1 19 19 GLY N N 15 . 1 1 19 19 GLY H H 1 0.9557 0.031548 . . . 359 GLY N . 359 GLY H 51414 2 15 . 1 1 20 20 ILE N N 15 . 1 1 20 20 ILE H H 1 0.8597 0.026416 . . . 360 ILE N . 360 ILE H 51414 2 16 . 1 1 21 21 LEU N N 15 . 1 1 21 21 LEU H H 1 0.9509 0.02802 . . . 361 LEU N . 361 LEU H 51414 2 17 . 1 1 22 22 LYS N N 15 . 1 1 22 22 LYS H H 1 0.8136 0.023134 . . . 362 LYS N . 362 LYS H 51414 2 18 . 1 1 23 23 GLU N N 15 . 1 1 23 23 GLU H H 1 0.8652 0.024914 . . . 363 GLU N . 363 GLU H 51414 2 19 . 1 1 24 24 MET N N 15 . 1 1 24 24 MET H H 1 0.8392 0.027153 . . . 364 MET N . 364 MET H 51414 2 20 . 1 1 25 25 PHE N N 15 . 1 1 25 25 PHE H H 1 0.8563 0.026358 . . . 365 PHE N . 365 PHE H 51414 2 21 . 1 1 26 26 ALA N N 15 . 1 1 26 26 ALA H H 1 0.8891 0.020773 . . . 366 ALA N . 366 ALA H 51414 2 22 . 1 1 29 29 HIS N N 15 . 1 1 29 29 HIS H H 1 0.8612 0.027765 . . . 369 HIS N . 369 HIS H 51414 2 23 . 1 1 30 30 ALA N N 15 . 1 1 30 30 ALA H H 1 0.8421 0.025839 . . . 370 ALA N . 370 ALA H 51414 2 24 . 1 1 31 31 ALA N N 15 . 1 1 31 31 ALA H H 1 0.8658 0.026602 . . . 371 ALA N . 371 ALA H 51414 2 25 . 1 1 32 32 TYR N N 15 . 1 1 32 32 TYR H H 1 0.9195 0.052916 . . . 372 TYR N . 372 TYR H 51414 2 26 . 1 1 33 33 ALA N N 15 . 1 1 33 33 ALA H H 1 0.8722 0.035678 . . . 373 ALA N . 373 ALA H 51414 2 27 . 1 1 34 34 TRP N N 15 . 1 1 34 34 TRP H H 1 0.8876 0.025021 . . . 374 TRP N . 374 TRP H 51414 2 28 . 1 1 36 36 PHE N N 15 . 1 1 36 36 PHE H H 1 0.9089 0.027691 . . . 376 PHE N . 376 PHE H 51414 2 29 . 1 1 37 37 TYR N N 15 . 1 1 37 37 TYR H H 1 0.9415 0.026634 . . . 377 TYR N . 377 TYR H 51414 2 30 . 1 1 38 38 LYS N N 15 . 1 1 38 38 LYS H H 1 0.8519 0.021799 . . . 378 LYS N . 378 LYS H 51414 2 31 . 1 1 40 40 VAL N N 15 . 1 1 40 40 VAL H H 1 0.8566 0.027065 . . . 380 VAL N . 380 VAL H 51414 2 32 . 1 1 41 41 ASP N N 15 . 1 1 41 41 ASP H H 1 0.8314 0.024386 . . . 381 ASP N . 381 ASP H 51414 2 33 . 1 1 42 42 VAL N N 15 . 1 1 42 42 VAL H H 1 0.7068 0.023973 . . . 382 VAL N . 382 VAL H 51414 2 34 . 1 1 43 43 GLU N N 15 . 1 1 43 43 GLU H H 1 0.7948 0.023228 . . . 383 GLU N . 383 GLU H 51414 2 35 . 1 1 44 44 ALA N N 15 . 1 1 44 44 ALA H H 1 0.7352 0.024313 . . . 384 ALA N . 384 ALA H 51414 2 36 . 1 1 45 45 LEU N N 15 . 1 1 45 45 LEU H H 1 0.832 0.052845 . . . 385 LEU N . 385 LEU H 51414 2 37 . 1 1 46 46 GLY N N 15 . 1 1 46 46 GLY H H 1 0.7532 0.063695 . . . 386 GLY N . 386 GLY H 51414 2 38 . 1 1 47 47 LEU N N 15 . 1 1 47 47 LEU H H 1 0.7805 0.024609 . . . 387 LEU N . 387 LEU H 51414 2 39 . 1 1 49 49 ASP N N 15 . 1 1 49 49 ASP H H 1 0.7465 0.069648 . . . 389 ASP N . 389 ASP H 51414 2 40 . 1 1 50 50 TYR N N 15 . 1 1 50 50 TYR H H 1 0.8128 0.031709 . . . 390 TYR N . 390 TYR H 51414 2 41 . 1 1 51 51 CYS N N 15 . 1 1 51 51 CYS H H 1 0.8194 0.029097 . . . 391 CYS N . 391 CYS H 51414 2 42 . 1 1 52 52 ASP N N 15 . 1 1 52 52 ASP H H 1 0.8825 0.031867 . . . 392 ASP N . 392 ASP H 51414 2 43 . 1 1 53 53 ILE N N 15 . 1 1 53 53 ILE H H 1 0.7984 0.027825 . . . 393 ILE N . 393 ILE H 51414 2 44 . 1 1 54 54 ILE N N 15 . 1 1 54 54 ILE H H 1 0.8365 0.042363 . . . 394 ILE N . 394 ILE H 51414 2 45 . 1 1 55 55 LYS N N 15 . 1 1 55 55 LYS H H 1 0.843 0.049505 . . . 395 LYS N . 395 LYS H 51414 2 46 . 1 1 56 56 HIS N N 15 . 1 1 56 56 HIS H H 1 0.8838 0.031753 . . . 396 HIS N . 396 HIS H 51414 2 47 . 1 1 58 58 MET N N 15 . 1 1 58 58 MET H H 1 0.8855 0.028506 . . . 398 MET N . 398 MET H 51414 2 48 . 1 1 59 59 ASP N N 15 . 1 1 59 59 ASP H H 1 0.8847 0.018753 . . . 399 ASP N . 399 ASP H 51414 2 49 . 1 1 60 60 MET N N 15 . 1 1 60 60 MET H H 1 0.8457 0.022865 . . . 400 MET N . 400 MET H 51414 2 50 . 1 1 61 61 SER N N 15 . 1 1 61 61 SER H H 1 0.868 0.023491 . . . 401 SER N . 401 SER H 51414 2 51 . 1 1 62 62 THR N N 15 . 1 1 62 62 THR H H 1 0.7922 0.038577 . . . 402 THR N . 402 THR H 51414 2 52 . 1 1 63 63 ILE N N 15 . 1 1 63 63 ILE H H 1 0.8336 0.025851 . . . 403 ILE N . 403 ILE H 51414 2 53 . 1 1 64 64 LYS N N 15 . 1 1 64 64 LYS H H 1 0.8291 0.024445 . . . 404 LYS N . 404 LYS H 51414 2 54 . 1 1 65 65 SER N N 15 . 1 1 65 65 SER H H 1 0.8666 0.022258 . . . 405 SER N . 405 SER H 51414 2 55 . 1 1 66 66 LYS N N 15 . 1 1 66 66 LYS H H 1 0.8299 0.023991 . . . 406 LYS N . 406 LYS H 51414 2 56 . 1 1 67 67 LEU N N 15 . 1 1 67 67 LEU H H 1 0.857 0.025808 . . . 407 LEU N . 407 LEU H 51414 2 57 . 1 1 68 68 GLU N N 15 . 1 1 68 68 GLU H H 1 0.8435 0.025826 . . . 408 GLU N . 408 GLU H 51414 2 58 . 1 1 69 69 ALA N N 15 . 1 1 69 69 ALA H H 1 0.8752 0.023786 . . . 409 ALA N . 409 ALA H 51414 2 59 . 1 1 70 70 ARG N N 15 . 1 1 70 70 ARG H H 1 0.8527 0.021944 . . . 410 ARG N . 410 ARG H 51414 2 60 . 1 1 71 71 GLU N N 15 . 1 1 71 71 GLU H H 1 0.8381 0.022935 . . . 411 GLU N . 411 GLU H 51414 2 61 . 1 1 72 72 TYR N N 15 . 1 1 72 72 TYR H H 1 0.781 0.019447 . . . 412 TYR N . 412 TYR H 51414 2 62 . 1 1 73 73 ARG N N 15 . 1 1 73 73 ARG H H 1 0.7978 0.02383 . . . 413 ARG N . 413 ARG H 51414 2 63 . 1 1 74 74 ASP N N 15 . 1 1 74 74 ASP H H 1 0.8303 0.023139 . . . 414 ASP N . 414 ASP H 51414 2 64 . 1 1 75 75 ALA N N 15 . 1 1 75 75 ALA H H 1 0.8248 0.024515 . . . 415 ALA N . 415 ALA H 51414 2 65 . 1 1 76 76 GLN N N 15 . 1 1 76 76 GLN H H 1 0.818 0.027669 . . . 416 GLN N . 416 GLN H 51414 2 66 . 1 1 77 77 GLU N N 15 . 1 1 77 77 GLU H H 1 0.8364 0.026798 . . . 417 GLU N . 417 GLU H 51414 2 67 . 1 1 78 78 PHE N N 15 . 1 1 78 78 PHE H H 1 0.9008 0.026706 . . . 418 PHE N . 418 PHE H 51414 2 68 . 1 1 79 79 GLY N N 15 . 1 1 79 79 GLY H H 1 0.9073 0.034064 . . . 419 GLY N . 419 GLY H 51414 2 69 . 1 1 80 80 ALA N N 15 . 1 1 80 80 ALA H H 1 0.9126 0.023357 . . . 420 ALA N . 420 ALA H 51414 2 70 . 1 1 81 81 ASP N N 15 . 1 1 81 81 ASP H H 1 0.8674 0.023488 . . . 421 ASP N . 421 ASP H 51414 2 71 . 1 1 82 82 VAL N N 15 . 1 1 82 82 VAL H H 1 0.8928 0.031519 . . . 422 VAL N . 422 VAL H 51414 2 72 . 1 1 83 83 ARG N N 15 . 1 1 83 83 ARG H H 1 0.8808 0.03691 . . . 423 ARG N . 423 ARG H 51414 2 73 . 1 1 84 84 LEU N N 15 . 1 1 84 84 LEU H H 1 0.8263 0.061563 . . . 424 LEU N . 424 LEU H 51414 2 74 . 1 1 85 85 MET N N 15 . 1 1 85 85 MET H H 1 0.8546 0.03049 . . . 425 MET N . 425 MET H 51414 2 75 . 1 1 86 86 PHE N N 15 . 1 1 86 86 PHE H H 1 0.9345 0.034059 . . . 426 PHE N . 426 PHE H 51414 2 76 . 1 1 87 87 SER N N 15 . 1 1 87 87 SER H H 1 0.9479 0.13686 . . . 427 SER N . 427 SER H 51414 2 77 . 1 1 89 89 CYS N N 15 . 1 1 89 89 CYS H H 1 0.8873 0.028213 . . . 429 CYS N . 429 CYS H 51414 2 78 . 1 1 90 90 TYR N N 15 . 1 1 90 90 TYR H H 1 0.88 0.064942 . . . 430 TYR N . 430 TYR H 51414 2 79 . 1 1 96 96 ASP N N 15 . 1 1 96 96 ASP H H 1 0.8926 0.032817 . . . 436 ASP N . 436 ASP H 51414 2 80 . 1 1 97 97 HIS N N 15 . 1 1 97 97 HIS H H 1 0.864 0.048999 . . . 437 HIS N . 437 HIS H 51414 2 81 . 1 1 98 98 GLU N N 15 . 1 1 98 98 GLU H H 1 0.9099 0.049359 . . . 438 GLU N . 438 GLU H 51414 2 82 . 1 1 100 100 VAL N N 15 . 1 1 100 100 VAL H H 1 0.8415 0.032975 . . . 440 VAL N . 440 VAL H 51414 2 83 . 1 1 101 101 ALA N N 15 . 1 1 101 101 ALA H H 1 0.9681 0.050323 . . . 441 ALA N . 441 ALA H 51414 2 84 . 1 1 102 102 MET N N 15 . 1 1 102 102 MET H H 1 0.8145 0.026352 . . . 442 MET N . 442 MET H 51414 2 85 . 1 1 103 103 ALA N N 15 . 1 1 103 103 ALA H H 1 0.8906 0.033596 . . . 443 ALA N . 443 ALA H 51414 2 86 . 1 1 104 104 ARG N N 15 . 1 1 104 104 ARG H H 1 0.7112 0.077781 . . . 444 ARG N . 444 ARG H 51414 2 87 . 1 1 105 105 LYS N N 15 . 1 1 105 105 LYS H H 1 0.8983 0.048646 . . . 445 LYS N . 445 LYS H 51414 2 88 . 1 1 106 106 LEU N N 15 . 1 1 106 106 LEU H H 1 0.8893 0.043457 . . . 446 LEU N . 446 LEU H 51414 2 89 . 1 1 107 107 GLN N N 15 . 1 1 107 107 GLN H H 1 0.9178 0.061841 . . . 447 GLN N . 447 GLN H 51414 2 90 . 1 1 109 109 VAL N N 15 . 1 1 109 109 VAL H H 1 1.3461 0.31021 . . . 449 VAL N . 449 VAL H 51414 2 91 . 1 1 110 110 PHE N N 15 . 1 1 110 110 PHE H H 1 0.8725 0.029435 . . . 450 PHE N . 450 PHE H 51414 2 92 . 1 1 111 111 GLU N N 15 . 1 1 111 111 GLU H H 1 0.7635 0.051799 . . . 451 GLU N . 451 GLU H 51414 2 93 . 1 1 113 113 ARG N N 15 . 1 1 113 113 ARG H H 1 0.8897 0.048869 . . . 453 ARG N . 453 ARG H 51414 2 94 . 1 1 114 114 PHE N N 15 . 1 1 114 114 PHE H H 1 0.8063 0.050001 . . . 454 PHE N . 454 PHE H 51414 2 95 . 1 1 115 115 ALA N N 15 . 1 1 115 115 ALA H H 1 0.8595 0.025694 . . . 455 ALA N . 455 ALA H 51414 2 96 . 1 1 119 119 ASP N N 15 . 1 1 119 119 ASP H H 1 0.4183 0.018721 . . . 459 ASP N . 459 ASP H 51414 2 97 . 1 1 120 120 GLU N N 15 . 1 1 120 120 GLU H H 1 0.3203 0.020522 . . . 460 GLU N . 460 GLU H 51414 2 stop_ save_