######################################## # Heteronuclear T2 relaxation values # ######################################## save_heteronucl_T2_relaxation_1 _Heteronucl_T2_list.Sf_category heteronucl_T2_relaxation _Heteronucl_T2_list.Sf_framecode heteronucl_T2_relaxation_1 _Heteronucl_T2_list.Entry_ID 51417 _Heteronucl_T2_list.ID 1 _Heteronucl_T2_list.Name 'BD2 15N-T2 600' _Heteronucl_T2_list.Sample_condition_list_ID 1 _Heteronucl_T2_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_T2_list.Temp_calibration_method methanol _Heteronucl_T2_list.Temp_control_method 'no temperature control applied' _Heteronucl_T2_list.Spectrometer_frequency_1H 600 _Heteronucl_T2_list.T2_coherence_type S(+,-) _Heteronucl_T2_list.T2_val_units s-1 _Heteronucl_T2_list.Rex_units . _Heteronucl_T2_list.Details . _Heteronucl_T2_list.Text_data_format . _Heteronucl_T2_list.Text_data . loop_ _Heteronucl_T2_experiment.Experiment_ID _Heteronucl_T2_experiment.Experiment_name _Heteronucl_T2_experiment.Sample_ID _Heteronucl_T2_experiment.Sample_label _Heteronucl_T2_experiment.Sample_state _Heteronucl_T2_experiment.Entry_ID _Heteronucl_T2_experiment.Heteronucl_T2_list_ID 8 'T2/R2 relaxation' . . . 51417 1 stop_ loop_ _Heteronucl_T2_software.Software_ID _Heteronucl_T2_software.Software_label _Heteronucl_T2_software.Method_ID _Heteronucl_T2_software.Method_label _Heteronucl_T2_software.Entry_ID _Heteronucl_T2_software.Heteronucl_T2_list_ID 3 $software_3 . . 51417 1 stop_ loop_ _T2.ID _T2.Assembly_atom_ID _T2.Entity_assembly_ID _T2.Entity_ID _T2.Comp_index_ID _T2.Seq_ID _T2.Comp_ID _T2.Atom_ID _T2.Atom_type _T2.Atom_isotope_number _T2.T2_val _T2.T2_val_err _T2.Rex_val _T2.Rex_err _T2.Resonance_ID _T2.Auth_entity_assembly_ID _T2.Auth_seq_ID _T2.Auth_comp_ID _T2.Auth_atom_ID _T2.Entry_ID _T2.Heteronucl_T2_list_ID 1 . 1 1 3 3 ALA N N 15 2.0951 0.028997 . . . . 343 ALA N 51417 1 2 . 1 1 5 5 GLU N N 15 2.9079 0.025983 . . . . 345 GLU N 51417 1 3 . 1 1 6 6 LYS N N 15 3.5391 0.076965 . . . . 346 LYS N 51417 1 4 . 1 1 7 7 SER N N 15 4.7442 0.24941 . . . . 347 SER N 51417 1 5 . 1 1 10 10 VAL N N 15 12.2541 0.10523 . . . . 350 VAL N 51417 1 6 . 1 1 11 11 SER N N 15 14.3371 0.167 . . . . 351 SER N 51417 1 7 . 1 1 12 12 GLU N N 15 14.6518 0.3023 . . . . 352 GLU N 51417 1 8 . 1 1 13 13 GLN N N 15 14.8901 0.22363 . . . . 353 GLN N 51417 1 9 . 1 1 14 14 LEU N N 15 14.9385 0.16548 . . . . 354 LEU N 51417 1 10 . 1 1 15 15 LYS N N 15 14.4288 0.15093 . . . . 355 LYS N 51417 1 11 . 1 1 16 16 CYS N N 15 14.7351 0.15282 . . . . 356 CYS N 51417 1 12 . 1 1 17 17 CYS N N 15 14.0838 0.20592 . . . . 357 CYS N 51417 1 13 . 1 1 18 18 SER N N 15 14.4958 0.12333 . . . . 358 SER N 51417 1 14 . 1 1 19 19 GLY N N 15 14.4671 0.14959 . . . . 359 GLY N 51417 1 15 . 1 1 20 20 ILE N N 15 14.3224 0.15519 . . . . 360 ILE N 51417 1 16 . 1 1 21 21 LEU N N 15 14.5511 0.13588 . . . . 361 LEU N 51417 1 17 . 1 1 22 22 LYS N N 15 14.044 0.13693 . . . . 362 LYS N 51417 1 18 . 1 1 23 23 GLU N N 15 13.2842 0.12798 . . . . 363 GLU N 51417 1 19 . 1 1 24 24 MET N N 15 14.7505 0.16107 . . . . 364 MET N 51417 1 20 . 1 1 25 25 PHE N N 15 15.4433 0.16638 . . . . 365 PHE N 51417 1 21 . 1 1 26 26 ALA N N 15 13.9622 0.11538 . . . . 366 ALA N 51417 1 22 . 1 1 29 29 HIS N N 15 13.1732 0.1441 . . . . 369 HIS N 51417 1 23 . 1 1 30 30 ALA N N 15 13.9487 0.12874 . . . . 370 ALA N 51417 1 24 . 1 1 32 32 TYR N N 15 14.5923 0.37598 . . . . 372 TYR N 51417 1 25 . 1 1 33 33 ALA N N 15 13.2804 0.21983 . . . . 373 ALA N 51417 1 26 . 1 1 34 34 TRP N N 15 12.4813 0.14599 . . . . 374 TRP N 51417 1 27 . 1 1 36 36 PHE N N 15 13.0335 0.15329 . . . . 376 PHE N 51417 1 28 . 1 1 37 37 TYR N N 15 13.3131 0.16583 . . . . 377 TYR N 51417 1 29 . 1 1 38 38 LYS N N 15 13.6843 0.12301 . . . . 378 LYS N 51417 1 30 . 1 1 40 40 VAL N N 15 13.2082 0.087419 . . . . 380 VAL N 51417 1 31 . 1 1 41 41 ASP N N 15 12.3102 0.077379 . . . . 381 ASP N 51417 1 32 . 1 1 42 42 VAL N N 15 11.9559 0.085033 . . . . 382 VAL N 51417 1 33 . 1 1 43 43 GLU N N 15 14.1902 0.096485 . . . . 383 GLU N 51417 1 34 . 1 1 44 44 ALA N N 15 12.6024 0.090289 . . . . 384 ALA N 51417 1 35 . 1 1 45 45 LEU N N 15 19.6914 0.25576 . . . . 385 LEU N 51417 1 36 . 1 1 46 46 GLY N N 15 12.481 0.23219 . . . . 386 GLY N 51417 1 37 . 1 1 47 47 LEU N N 15 12.6243 0.088815 . . . . 387 LEU N 51417 1 38 . 1 1 51 51 CYS N N 15 15.8978 0.15003 . . . . 391 CYS N 51417 1 39 . 1 1 52 52 ASP N N 15 13.9176 0.22871 . . . . 392 ASP N 51417 1 40 . 1 1 53 53 ILE N N 15 12.1171 0.1581 . . . . 393 ILE N 51417 1 41 . 1 1 54 54 ILE N N 15 15.5442 0.20806 . . . . 394 ILE N 51417 1 42 . 1 1 58 58 MET N N 15 14.4741 0.15939 . . . . 398 MET N 51417 1 43 . 1 1 59 59 ASP N N 15 13.6709 0.10281 . . . . 399 ASP N 51417 1 44 . 1 1 60 60 MET N N 15 13.6492 0.12018 . . . . 400 MET N 51417 1 45 . 1 1 61 61 SER N N 15 14.5493 0.15786 . . . . 401 SER N 51417 1 46 . 1 1 62 62 THR N N 15 14.7467 0.27184 . . . . 402 THR N 51417 1 47 . 1 1 63 63 ILE N N 15 14.4198 0.14955 . . . . 403 ILE N 51417 1 48 . 1 1 64 64 LYS N N 15 15.299 0.14559 . . . . 404 LYS N 51417 1 49 . 1 1 65 65 SER N N 15 14.4926 0.14005 . . . . 405 SER N 51417 1 50 . 1 1 66 66 LYS N N 15 13.5978 0.13941 . . . . 406 LYS N 51417 1 51 . 1 1 67 67 LEU N N 15 13.7386 0.15048 . . . . 407 LEU N 51417 1 52 . 1 1 68 68 GLU N N 15 15.0973 0.15524 . . . . 408 GLU N 51417 1 53 . 1 1 69 69 ALA N N 15 14.1274 0.14576 . . . . 409 ALA N 51417 1 54 . 1 1 70 70 ARG N N 15 13.0268 0.12331 . . . . 410 ARG N 51417 1 55 . 1 1 71 71 GLU N N 15 13.3612 0.12902 . . . . 411 GLU N 51417 1 56 . 1 1 72 72 TYR N N 15 10.9608 0.086145 . . . . 412 TYR N 51417 1 57 . 1 1 73 73 ARG N N 15 12.4349 0.099361 . . . . 413 ARG N 51417 1 58 . 1 1 74 74 ASP N N 15 12.941 0.097216 . . . . 414 ASP N 51417 1 59 . 1 1 75 75 ALA N N 15 14.5835 0.12482 . . . . 415 ALA N 51417 1 60 . 1 1 76 76 GLN N N 15 13.7644 0.13936 . . . . 416 GLN N 51417 1 61 . 1 1 77 77 GLU N N 15 14.1829 0.15967 . . . . 417 GLU N 51417 1 62 . 1 1 78 78 PHE N N 15 14.7779 0.19187 . . . . 418 PHE N 51417 1 63 . 1 1 79 79 GLY N N 15 16.0412 0.23629 . . . . 419 GLY N 51417 1 64 . 1 1 80 80 ALA N N 15 15.4889 0.17124 . . . . 420 ALA N 51417 1 65 . 1 1 81 81 ASP N N 15 15.5009 0.16663 . . . . 421 ASP N 51417 1 66 . 1 1 82 82 VAL N N 15 15.0656 0.19399 . . . . 422 VAL N 51417 1 67 . 1 1 83 83 ARG N N 15 15.915 0.24589 . . . . 423 ARG N 51417 1 68 . 1 1 85 85 MET N N 15 15.0517 0.22209 . . . . 425 MET N 51417 1 69 . 1 1 86 86 PHE N N 15 17.1051 0.26917 . . . . 426 PHE N 51417 1 70 . 1 1 89 89 CYS N N 15 15.3006 0.19503 . . . . 429 CYS N 51417 1 71 . 1 1 90 90 TYR N N 15 22.8442 0.99159 . . . . 430 TYR N 51417 1 72 . 1 1 93 93 ASN N N 15 16.5555 0.36624 . . . . 433 ASN N 51417 1 73 . 1 1 96 96 ASP N N 15 13.9076 0.16463 . . . . 436 ASP N 51417 1 74 . 1 1 97 97 HIS N N 15 13.5311 0.25377 . . . . 437 HIS N 51417 1 75 . 1 1 98 98 GLU N N 15 15.7168 0.18274 . . . . 438 GLU N 51417 1 76 . 1 1 99 99 VAL N N 15 15.7861 0.77171 . . . . 439 VAL N 51417 1 77 . 1 1 100 100 VAL N N 15 15.9845 0.22119 . . . . 440 VAL N 51417 1 78 . 1 1 101 101 ALA N N 15 14.9945 0.30163 . . . . 441 ALA N 51417 1 79 . 1 1 102 102 MET N N 15 13.7922 0.14017 . . . . 442 MET N 51417 1 80 . 1 1 104 104 ARG N N 15 16.2819 0.69281 . . . . 444 ARG N 51417 1 81 . 1 1 105 105 LYS N N 15 17.6522 0.49708 . . . . 445 LYS N 51417 1 82 . 1 1 106 106 LEU N N 15 16.7668 0.4018 . . . . 446 LEU N 51417 1 83 . 1 1 107 107 GLN N N 15 21.5723 0.68119 . . . . 447 GLN N 51417 1 84 . 1 1 110 110 PHE N N 15 15.4073 0.20286 . . . . 450 PHE N 51417 1 85 . 1 1 111 111 GLU N N 15 19.1069 0.4948 . . . . 451 GLU N 51417 1 86 . 1 1 113 113 ARG N N 15 19.6692 0.4787 . . . . 453 ARG N 51417 1 87 . 1 1 114 114 PHE N N 15 18.5286 0.46875 . . . . 454 PHE N 51417 1 88 . 1 1 115 115 ALA N N 15 13.9624 0.1414 . . . . 455 ALA N 51417 1 89 . 1 1 119 119 ASP N N 15 10.3789 0.072662 . . . . 459 ASP N 51417 1 90 . 1 1 120 120 GLU N N 15 3.9072 0.040066 . . . . 460 GLU N 51417 1 stop_ save_ ######################################## # Heteronuclear T2 relaxation values # ######################################## save_heteronucl_T2_relaxation_2 _Heteronucl_T2_list.Sf_category heteronucl_T2_relaxation _Heteronucl_T2_list.Sf_framecode heteronucl_T2_relaxation_2 _Heteronucl_T2_list.Entry_ID 51417 _Heteronucl_T2_list.ID 2 _Heteronucl_T2_list.Name 'BD2 15N-T2 800' _Heteronucl_T2_list.Sample_condition_list_ID 1 _Heteronucl_T2_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_T2_list.Temp_calibration_method methanol _Heteronucl_T2_list.Temp_control_method 'no temperature control applied' _Heteronucl_T2_list.Spectrometer_frequency_1H 800 _Heteronucl_T2_list.T2_coherence_type S(+,-) _Heteronucl_T2_list.T2_val_units s-1 _Heteronucl_T2_list.Rex_units . _Heteronucl_T2_list.Details . _Heteronucl_T2_list.Text_data_format . _Heteronucl_T2_list.Text_data . loop_ _Heteronucl_T2_experiment.Experiment_ID _Heteronucl_T2_experiment.Experiment_name _Heteronucl_T2_experiment.Sample_ID _Heteronucl_T2_experiment.Sample_label _Heteronucl_T2_experiment.Sample_state _Heteronucl_T2_experiment.Entry_ID _Heteronucl_T2_experiment.Heteronucl_T2_list_ID 9 'T2/R2 relaxation' . . . 51417 2 stop_ loop_ _Heteronucl_T2_software.Software_ID _Heteronucl_T2_software.Software_label _Heteronucl_T2_software.Method_ID _Heteronucl_T2_software.Method_label _Heteronucl_T2_software.Entry_ID _Heteronucl_T2_software.Heteronucl_T2_list_ID 3 $software_3 . . 51417 2 stop_ loop_ _T2.ID _T2.Assembly_atom_ID _T2.Entity_assembly_ID _T2.Entity_ID _T2.Comp_index_ID _T2.Seq_ID _T2.Comp_ID _T2.Atom_ID _T2.Atom_type _T2.Atom_isotope_number _T2.T2_val _T2.T2_val_err _T2.Rex_val _T2.Rex_err _T2.Resonance_ID _T2.Auth_entity_assembly_ID _T2.Auth_seq_ID _T2.Auth_comp_ID _T2.Auth_atom_ID _T2.Entry_ID _T2.Heteronucl_T2_list_ID 1 . 1 1 3 3 ALA N N 15 2.3545 0.01416 . . . . 343 ALA N 51417 2 2 . 1 1 5 5 GLU N N 15 3.3723 0.015383 . . . . 345 GLU N 51417 2 3 . 1 1 6 6 LYS N N 15 4.0272 0.03684 . . . . 346 LYS N 51417 2 4 . 1 1 7 7 SER N N 15 5.0543 0.13094 . . . . 347 SER N 51417 2 5 . 1 1 10 10 VAL N N 15 15.3068 0.066889 . . . . 350 VAL N 51417 2 6 . 1 1 11 11 SER N N 15 19.4246 0.13018 . . . . 351 SER N 51417 2 7 . 1 1 12 12 GLU N N 15 17.3557 0.277 . . . . 352 GLU N 51417 2 8 . 1 1 13 13 GLN N N 15 18.134 0.1855 . . . . 353 GLN N 51417 2 9 . 1 1 14 14 LEU N N 15 18.1171 0.11798 . . . . 354 LEU N 51417 2 10 . 1 1 15 15 LYS N N 15 17.8362 0.090226 . . . . 355 LYS N 51417 2 11 . 1 1 16 16 CYS N N 15 17.5001 0.091076 . . . . 356 CYS N 51417 2 12 . 1 1 17 17 CYS N N 15 18.3463 0.12754 . . . . 357 CYS N 51417 2 13 . 1 1 18 18 SER N N 15 16.9004 0.076145 . . . . 358 SER N 51417 2 14 . 1 1 19 19 GLY N N 15 17.7737 0.11447 . . . . 359 GLY N 51417 2 15 . 1 1 20 20 ILE N N 15 16.9627 0.099383 . . . . 360 ILE N 51417 2 16 . 1 1 21 21 LEU N N 15 18.2947 0.10934 . . . . 361 LEU N 51417 2 17 . 1 1 22 22 LYS N N 15 18.3016 0.10221 . . . . 362 LYS N 51417 2 18 . 1 1 23 23 GLU N N 15 17.2362 0.099169 . . . . 363 GLU N 51417 2 19 . 1 1 24 24 MET N N 15 18.1403 0.11169 . . . . 364 MET N 51417 2 20 . 1 1 25 25 PHE N N 15 18.1786 0.12198 . . . . 365 PHE N 51417 2 21 . 1 1 26 26 ALA N N 15 16.8742 0.077095 . . . . 366 ALA N 51417 2 22 . 1 1 29 29 HIS N N 15 16.405 0.089953 . . . . 369 HIS N 51417 2 23 . 1 1 30 30 ALA N N 15 17.5999 0.099402 . . . . 370 ALA N 51417 2 24 . 1 1 32 32 TYR N N 15 19.1039 0.27282 . . . . 372 TYR N 51417 2 25 . 1 1 33 33 ALA N N 15 16.6373 0.15948 . . . . 373 ALA N 51417 2 26 . 1 1 34 34 TRP N N 15 16.1467 0.10555 . . . . 374 TRP N 51417 2 27 . 1 1 36 36 PHE N N 15 15.6924 0.12418 . . . . 376 PHE N 51417 2 28 . 1 1 37 37 TYR N N 15 17.2486 0.12319 . . . . 377 TYR N 51417 2 29 . 1 1 38 38 LYS N N 15 16.0697 0.087547 . . . . 378 LYS N 51417 2 30 . 1 1 40 40 VAL N N 15 17.1883 0.06822 . . . . 380 VAL N 51417 2 31 . 1 1 41 41 ASP N N 15 16.7521 0.057958 . . . . 381 ASP N 51417 2 32 . 1 1 42 42 VAL N N 15 14.8602 0.058672 . . . . 382 VAL N 51417 2 33 . 1 1 43 43 GLU N N 15 17.3883 0.066734 . . . . 383 GLU N 51417 2 34 . 1 1 44 44 ALA N N 15 15.4196 0.058369 . . . . 384 ALA N 51417 2 35 . 1 1 45 45 LEU N N 15 26.9501 0.27944 . . . . 385 LEU N 51417 2 36 . 1 1 46 46 GLY N N 15 16.5052 0.22987 . . . . 386 GLY N 51417 2 37 . 1 1 47 47 LEU N N 15 15.157 0.059341 . . . . 387 LEU N 51417 2 38 . 1 1 51 51 CYS N N 15 21.3616 0.1373 . . . . 391 CYS N 51417 2 39 . 1 1 52 52 ASP N N 15 17.6642 0.20536 . . . . 392 ASP N 51417 2 40 . 1 1 53 53 ILE N N 15 14.6827 0.10357 . . . . 393 ILE N 51417 2 41 . 1 1 54 54 ILE N N 15 19.1306 0.18313 . . . . 394 ILE N 51417 2 42 . 1 1 58 58 MET N N 15 17.5179 0.11645 . . . . 398 MET N 51417 2 43 . 1 1 59 59 ASP N N 15 16.7165 0.068987 . . . . 399 ASP N 51417 2 44 . 1 1 60 60 MET N N 15 17.929 0.089715 . . . . 400 MET N 51417 2 45 . 1 1 61 61 SER N N 15 18.4194 0.11106 . . . . 401 SER N 51417 2 46 . 1 1 62 62 THR N N 15 17.6705 0.19273 . . . . 402 THR N 51417 2 47 . 1 1 63 63 ILE N N 15 17.9273 0.10786 . . . . 403 ILE N 51417 2 48 . 1 1 64 64 LYS N N 15 18.7325 0.1027 . . . . 404 LYS N 51417 2 49 . 1 1 65 65 SER N N 15 17.3125 0.082498 . . . . 405 SER N 51417 2 50 . 1 1 66 66 LYS N N 15 17.4468 0.10124 . . . . 406 LYS N 51417 2 51 . 1 1 67 67 LEU N N 15 17.7488 0.11395 . . . . 407 LEU N 51417 2 52 . 1 1 68 68 GLU N N 15 18.2981 0.11828 . . . . 408 GLU N 51417 2 53 . 1 1 69 69 ALA N N 15 16.8673 0.10305 . . . . 409 ALA N 51417 2 54 . 1 1 70 70 ARG N N 15 16.0312 0.091865 . . . . 410 ARG N 51417 2 55 . 1 1 71 71 GLU N N 15 16.1094 0.091189 . . . . 411 GLU N 51417 2 56 . 1 1 72 72 TYR N N 15 13.8825 0.061091 . . . . 412 TYR N 51417 2 57 . 1 1 73 73 ARG N N 15 16.1892 0.078511 . . . . 413 ARG N 51417 2 58 . 1 1 74 74 ASP N N 15 17.3074 0.091107 . . . . 414 ASP N 51417 2 59 . 1 1 75 75 ALA N N 15 18.1485 0.088721 . . . . 415 ALA N 51417 2 60 . 1 1 76 76 GLN N N 15 17.6024 0.1115 . . . . 416 GLN N 51417 2 61 . 1 1 77 77 GLU N N 15 18.35 0.12856 . . . . 417 GLU N 51417 2 62 . 1 1 78 78 PHE N N 15 18.1524 0.12048 . . . . 418 PHE N 51417 2 63 . 1 1 79 79 GLY N N 15 19.1723 0.17884 . . . . 419 GLY N 51417 2 64 . 1 1 80 80 ALA N N 15 19.1545 0.11778 . . . . 420 ALA N 51417 2 65 . 1 1 81 81 ASP N N 15 18.5913 0.10845 . . . . 421 ASP N 51417 2 66 . 1 1 82 82 VAL N N 15 18.6561 0.12177 . . . . 422 VAL N 51417 2 67 . 1 1 83 83 ARG N N 15 19.4658 0.18905 . . . . 423 ARG N 51417 2 68 . 1 1 85 85 MET N N 15 18.9028 0.17146 . . . . 425 MET N 51417 2 69 . 1 1 86 86 PHE N N 15 20.6922 0.21852 . . . . 426 PHE N 51417 2 70 . 1 1 89 89 CYS N N 15 19.2261 0.13786 . . . . 429 CYS N 51417 2 71 . 1 1 90 90 TYR N N 15 30.9221 1.5115 . . . . 430 TYR N 51417 2 72 . 1 1 93 93 ASN N N 15 21.4744 0.42959 . . . . 433 ASN N 51417 2 73 . 1 1 96 96 ASP N N 15 15.9265 0.11669 . . . . 436 ASP N 51417 2 74 . 1 1 97 97 HIS N N 15 17.2787 0.23867 . . . . 437 HIS N 51417 2 75 . 1 1 98 98 GLU N N 15 20.48 0.14117 . . . . 438 GLU N 51417 2 76 . 1 1 99 99 VAL N N 15 21.6809 1.0586 . . . . 439 VAL N 51417 2 77 . 1 1 100 100 VAL N N 15 19.28 0.13425 . . . . 440 VAL N 51417 2 78 . 1 1 101 101 ALA N N 15 19.304 0.23227 . . . . 441 ALA N 51417 2 79 . 1 1 102 102 MET N N 15 17.6999 0.10267 . . . . 442 MET N 51417 2 80 . 1 1 104 104 ARG N N 15 18.6024 0.79628 . . . . 444 ARG N 51417 2 81 . 1 1 105 105 LYS N N 15 23.1963 0.49403 . . . . 445 LYS N 51417 2 82 . 1 1 106 106 LEU N N 15 19.1921 0.37023 . . . . 446 LEU N 51417 2 83 . 1 1 107 107 GLN N N 15 30.8425 1.0622 . . . . 447 GLN N 51417 2 84 . 1 1 110 110 PHE N N 15 20.3224 0.15527 . . . . 450 PHE N 51417 2 85 . 1 1 111 111 GLU N N 15 27.1176 0.6835 . . . . 451 GLU N 51417 2 86 . 1 1 113 113 ARG N N 15 26.5775 0.55254 . . . . 453 ARG N 51417 2 87 . 1 1 114 114 PHE N N 15 22.6966 0.48759 . . . . 454 PHE N 51417 2 88 . 1 1 115 115 ALA N N 15 17.8294 0.11803 . . . . 455 ALA N 51417 2 89 . 1 1 119 119 ASP N N 15 13.5159 0.060893 . . . . 459 ASP N 51417 2 90 . 1 1 120 120 GLU N N 15 4.5646 0.021213 . . . . 460 GLU N 51417 2 stop_ save_