######################### # Spectral peak lists # ######################### save_spectral_peak_list_1 _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode spectral_peak_list_1 _Spectral_peak_list.Entry_ID 31138 _Spectral_peak_list.ID 1 _Spectral_peak_list.Name . _Spectral_peak_list.Sample_ID 1 _Spectral_peak_list.Sample_label $sample_1 _Spectral_peak_list.Sample_condition_list_ID 1 _Spectral_peak_list.Sample_condition_list_label $sample_conditions_1 _Spectral_peak_list.Chem_shift_reference_ID 1 _Spectral_peak_list.Chem_shift_reference_label $chem_shift_reference_1 _Spectral_peak_list.Experiment_ID 1 _Spectral_peak_list.Experiment_name '3D F1-13C-edited/F3-13C,15N-filtered HSQCNOESY' _Spectral_peak_list.Experiment_class . _Spectral_peak_list.Experiment_type . _Spectral_peak_list.Number_of_spectral_dimensions 3 _Spectral_peak_list.Chemical_shift_list . _Spectral_peak_list.Assigned_chem_shift_list_ID 1 _Spectral_peak_list.Assigned_chem_shift_list_label $assigned_chemical_shifts_1 _Spectral_peak_list.Details . _Spectral_peak_list.Text_data_format text _Spectral_peak_list.Text_data ; label dataset sw sf H1 H1z C13 160-aMId-PTN-noesy-f3filter.nv 12755.1015625 9345.79394531 17123.2871094 850.278991699 850.278991699 213.811004639 H1.L H1.P H1.W H1.B H1.E H1.J H1.U H1z.L H1z.P H1z.W H1z.B H1z.E H1z.J H1z.U C13.L C13.P C13.W C13.B C13.E C13.J C13.U vol int stat comment flag0 flag8 flag9 0 {B:T50.HG21} 1.23608 0.01944 0.02175 ++ {0.0} {} {A:291.HD2} 3.71289 0.27222 0.30119 ++ {0.0} {} {A:291.CD} 50.79200 2.30905 2.54496 ++ {0.0} {} 0.0 5.9567 0 {} 0 0 0 1 {B:T34.HG21} 1.07338 0.02419 0.03295 ++ {0.0} {} {A:291.HD2} 3.72166 0.27640 0.37579 ++ {0.0} {} {A:291.CD} 50.86629 2.14117 3.16409 ++ {0.0} {} 0.0 8.8126 0 {} 0 0 0 2 {B:L32.HD21} 0.92011 0.02452 0.03914 ++ {0.0} {} {A:265.HG12} 1.79613 0.25410 0.33714 ++ {0.0} {} {A:265.CG1} 28.17976 2.29892 3.56774 ++ {0.0} {} 0.0 9.8961 0 {} 0 0 0 3 {B:L32.HD11} 0.96769 0.02081 0.03105 ++ {0.0} {} {A:265.HG12} 1.84356 0.24146 0.34481 ++ {0.0} {} {A:265.CG1} 28.21062 2.31133 3.77746 ++ {0.0} {} 0.0 11.1576 0 {} 0 0 0 4 {B:T50.HG21} 1.23576 0.02075 0.02389 ++ {0.0} {} {A:291.HB3} 2.49368 0.14874 0.16905 ++ {0.0} {} {A:291.CB} 33.56582 1.66499 1.89232 ++ {0.0} {} 0.0 6.2036 0 {} 0 0 0 5 {B:T50.HG21} 1.23632 0.02082 0.02340 ++ {0.0} {} {A:291.HB2} 2.18027 0.17387 0.21592 ++ {0.0} {} {A:291.CB} 33.48603 1.71886 1.90711 ++ {0.0} {} 0.0 6.0153 0 {} 0 0 0 6 {B:T50.HG21} 1.23408 0.02076 0.03627 ++ {0.0} {} {A:291.HG2} 2.01666 0.18542 0.31525 ++ {0.0} {} {A:291.CG} 25.55152 2.04091 3.80541 ++ {0.0} {} 0.0 12.9472 0 {} 0 0 0 7 {B:T26.HG21} 1.25492 0.02132 0.04237 ++ {0.0} {} {A:290.HE2} 2.96631 0.18581 0.31472 ++ {0.0} {} {A:290.CE} 42.05194 2.05132 4.15274 ++ {0.0} {} 0.0 29.3321 0 {} 0 0 0 8 {} 1.25488 0.02242 0.03624 ++ {0.0} {} {} 1.61639 0.15361 0.30531 ++ {0.0} {} {} 29.14877 1.76307 2.51866 ++ {0.0} {} 0.0 16.6505 -1 {} 0 0 0 9 {} 1.25488 0.02242 0.03624 ++ {0.0} {} {} 1.61639 0.15361 0.30531 ++ {0.0} {} {} 29.14877 1.76307 2.51866 ++ {0.0} {} 0.0 16.6505 -1 {} 0 0 0 10 {} 1.25488 0.02242 0.03624 ++ {0.0} {} {} 1.61639 0.15361 0.30531 ++ {0.0} {} {} 29.14877 1.76307 2.51866 ++ {0.0} {} 0.0 16.6505 -1 {} 0 0 0 11 {} 1.25488 0.02242 0.03624 ++ {0.0} {} {} 1.61639 0.15361 0.30531 ++ {0.0} {} {} 29.14877 1.76307 2.51866 ++ {0.0} {} 0.0 16.6505 -1 {} 0 0 0 12 {} 1.38268 0.02242 0.03624 ++ {0.0} {} {} 1.66112 0.15361 0.30531 ++ {0.0} {} {} 29.14877 1.76307 2.51866 ++ {0.0} {} 0.0 16.6505 -1 {} 0 0 0 13 {B:T26.HG21} 1.25539 0.02242 0.03624 ++ {0.0} {} {A:290.HD2} 1.60681 0.15361 0.30531 ++ {0.0} {} {A:290.CD} 29.14877 1.76307 2.51866 ++ {0.0} {} 0.0 16.6505 0 {} 0 0 0 14 {B:T26.HG21} 1.25238 0.02076 0.02989 ++ {0.0} {} {A:290.HG2} 1.45919 0.18542 0.24299 ++ {0.0} {} {A:290.CG} 25.55152 2.04091 3.80541 ++ {0.0} {} 0.0 12.9472 0 {} 0 0 0 15 {B:T34.HG21} 1.07185 0.02323 0.01949 ++ {0.0} {} {A:291.HA} 4.97236 0.08007 0.14034 ++ {0.0} {} {A:291.CA} 60.52320 1.70951 1.36200 ++ {0.0} {} 0.0 3.5613 0 {} 0 0 0 16 {B:T34.HG21} 1.07315 0.02422 0.03883 ++ {0.0} {} {A:290.HE2} 2.96550 0.19601 0.28069 ++ {0.0} {} {A:290.CE} 42.05865 1.95068 3.08574 ++ {0.0} {} 0.0 8.7890 0 {} 0 0 0 17 {B:T34.HG21} 1.07359 0.02546 0.02054 ++ {0.0} {} {A:291.HB3} 2.47617 0.13893 0.25336 ++ {0.0} {} {A:291.CB} 33.51426 1.93620 1.55377 ++ {0.0} {} 0.0 3.5784 0 {} 0 0 0 18 {B:T34.HG21} 1.07180 0.03046 0.02852 ++ {0.0} {} {A:291.HB2} 2.18957 0.24094 0.21723 ++ {0.0} {} {A:291.CB} 33.45129 1.90482 1.70488 ++ {0.0} {} 0.0 3.8782 0 {} 0 0 0 19 {B:T34.HG21} 1.07297 0.02427 0.03570 ++ {0.0} {} {A:291.HG2} 2.00913 0.18866 0.27909 ++ {0.0} {} {A:291.CG} 25.64749 2.52820 3.75482 ++ {0.0} {} 0.0 7.5883 0 {} 0 0 0 20 {B:T34.HG21} 1.07406 0.02555 0.05749 ++ {0.0} {} {A:290.HD2} 1.60913 0.17620 0.32181 ++ {0.0} {} {A:290.CD} 29.15204 2.18906 4.12944 ++ {0.0} {} 0.0 15.3453 0 {} 0 0 0 21 {B:T34.HG21} 1.07338 0.02372 0.04534 ++ {0.0} {} {A:290.HG2} 1.46389 0.15868 0.31409 ++ {0.0} {} {A:290.CG} 25.81386 2.08854 3.96953 ++ {0.0} {} 0.0 13.5852 0 {} 0 0 0 22 {B:L32.HD11} 0.96616 0.01963 0.04714 ++ {0.0} {} {A:260.HA} 4.51866 0.16416 0.33852 ++ {0.0} {} {A:260.CA} 57.20257 1.88469 4.58040 ++ {0.0} {} 0.0 25.3703 0 {} 0 0 0 23 {B:L32.HD21} 0.91813 0.02627 0.04776 ++ {0.0} {} {A:260.HA} 4.53079 0.16703 0.30900 ++ {0.0} {} {A:260.CA} 57.02679 2.49310 4.51574 ++ {0.0} {} 0.0 7.1662 0 {} 0 0 0 24 {B:L32.HD21} 0.91787 0.02257 0.04194 ++ {0.0} {} {A:263.HA2} 3.98620 0.20953 0.36130 ++ {0.0} {} {A:263.CA} 45.96425 1.73906 3.51625 ++ {0.0} {} 0.0 7.9702 0 {} 0 0 0 25 {B:L32.HD11} 0.96882 0.02574 0.03252 ++ {0.0} {} {A:265.HA} 4.06793 0.07831 0.23290 ++ {0.0} {} {A:265.CA} 61.49050 1.58518 1.98608 ++ {0.0} {} 0.0 2.9368 -1 {} 0 0 0 26 {B:L32.HD11} 0.96715 0.01907 0.03517 ++ {0.0} {} {A:263.HA3} 3.98996 0.23255 0.37566 ++ {0.0} {} {A:263.CA} 45.97774 1.78028 3.67139 ++ {0.0} {} 0.0 7.4532 -1 {} 0 0 0 27 {} 0.96791 0.02107 0.04320 ++ {0.0} {} {} 3.74658 0.22005 0.31435 ++ {0.0} {} {} 61.72275 1.78807 4.42600 ++ {0.0} {} 0.0 15.4332 -1 {} 0 0 0 28 {} 1.04136 0.02313 0.04342 ++ {0.0} {} {} 3.99033 0.19268 0.37113 ++ {0.0} {} {} 46.01531 1.80312 3.67120 ++ {0.0} {} 0.0 7.5322 -1 {} 0 0 0 29 {B:L32.HD21} 0.91880 0.02975 0.05319 ++ {0.0} {} {A:265.HA} 3.74590 0.23923 0.34176 ++ {0.0} {} {A:265.CA} 61.71892 1.81507 3.29322 ++ {0.0} {} 0.0 5.3954 0 {} 0 0 0 30 {B:L32.HD21} 0.91783 0.02317 0.05187 ++ {0.0} {} {A:263.HA3} 3.67818 0.17715 0.35276 ++ {0.0} {} {A:263.CA} 45.92554 1.94579 4.10094 ++ {0.0} {} 0.0 7.0850 0 {} 0 0 0 31 {B:L32.HD11} 0.96695 0.01880 0.02867 ++ {0.0} {} {A:260.HB3} 2.72245 0.20580 0.30223 ++ {0.0} {} {A:260.CB} 39.77851 1.91086 3.09207 ++ {0.0} {} 0.0 4.3669 0 {} 0 0 0 32 {B:L32.HD11} 0.96787 0.02078 0.03640 ++ {0.0} {} {A:265.HG21} 0.86275 0.13329 0.25171 ++ {0.0} {} {A:265.CG2} 17.92287 1.69808 2.81990 ++ {0.0} {} 0.0 14.5318 0 {} 0 0 0 33 {B:L32.HD11} 0.96732 0.01988 0.03490 ++ {0.0} {} {A:265.HD11} 1.00720 0.17255 0.30955 ++ {0.0} {} {A:265.CD1} 13.62826 1.61762 2.73936 ++ {0.0} {} 0.0 17.4741 0 {} 0 0 0 34 {B:L32.HD21} 0.91829 0.02484 0.03985 ++ {0.0} {} {A:265.HG21} 0.85527 0.14388 0.23757 ++ {0.0} {} {A:265.CG2} 17.94665 1.82767 2.67075 ++ {0.0} {} 0.0 9.9432 0 {} 0 0 0 35 {B:L32.HD21} 0.91781 0.02331 0.04639 ++ {0.0} {} {A:265.HD11} 1.00809 0.17040 0.31731 ++ {0.0} {} {A:265.CD1} 13.60722 1.62553 3.13789 ++ {0.0} {} 0.0 20.2272 0 {} 0 0 0 36 {B:L32.HD11} 1.03331 0.02574 0.02705 ++ {0.0} {} {A:265.HA} 4.48841 0.07831 0.18369 ++ {0.0} {} {A:265.CA} 61.49050 1.58518 1.69002 ++ {0.0} {} 0.0 2.9368 -1 {} 0 0 0 37 {} 1.05616 0.02574 0.02705 ++ {0.0} {} {} 4.12049 0.07831 0.18369 ++ {0.0} {} {} 61.49050 1.58518 1.69002 ++ {0.0} {} 0.0 2.9368 -1 {} 0 0 0 38 {} 0.96791 0.02107 0.04155 ++ {0.0} {} {} 3.74658 0.22005 0.31435 ++ {0.0} {} {} 61.72275 1.78807 4.24486 ++ {0.0} {} 0.0 15.4332 -1 {} 0 0 0 39 {} 0.96737 0.01963 0.04593 ++ {0.0} {} {} 4.53112 0.16416 0.33630 ++ {0.0} {} {} 57.20257 1.88469 4.51371 ++ {0.0} {} 0.0 25.3703 -1 {} 0 0 0 40 {} 0.96737 0.01963 0.04593 ++ {0.0} {} {} 4.53112 0.16416 0.33630 ++ {0.0} {} {} 57.20257 1.88469 4.51371 ++ {0.0} {} 0.0 25.3703 -1 {} 0 0 0 41 {} 1.02097 0.02107 0.04155 ++ {0.0} {} {} 3.67431 0.22005 0.31435 ++ {0.0} {} {} 61.72275 1.78807 4.24486 ++ {0.0} {} 0.0 15.4332 -1 {} 0 0 0 42 {B:L32.HD11} 0.96727 0.01696 0.02414 ++ {0.0} {} {A:265.HB} 1.99151 0.14423 0.21567 ++ {0.0} {} {A:265.CB} 38.56531 1.61245 2.28227 ++ {0.0} {} 0.0 3.0025 0 {} 0 0 0 43 {} 0.97281 0.02107 0.03691 ++ {0.0} {} {} 3.40494 0.22005 0.33949 ++ {0.0} {} {} 61.72275 1.78807 3.71728 ++ {0.0} {} 0.0 15.4332 -1 {} 0 0 0 44 {} 0.91880 0.02975 0.03937 ++ {0.0} {} {} 3.74590 0.23923 0.27722 ++ {0.0} {} {} 61.71892 1.81507 2.18854 ++ {0.0} {} 0.0 5.3954 -1 {} 0 0 0 45 {B:L32.HD11} 0.96674 0.02323 0.01949 ++ {0.0} {} {A:265.HA} 3.74434 0.08007 0.14034 ++ {0.0} {} {A:265.CA} 60.52320 1.70951 1.36200 ++ {0.0} {} 0.0 3.5613 0 {} 0 0 0 46 {B:L32.HD11} 0.96814 0.02313 0.01500 ++ {0.0} {} {A:263.HA3} 3.67559 0.19268 0.11718 ++ {0.0} {} {A:263.CA} 46.01531 1.80312 1.10176 ++ {0.0} {} 0.0 7.5322 0 {} 0 0 0 47 {B:L32.HD11} 0.96715 0.01907 0.01129 ++ {0.0} {} {A:263.HA2} 3.98996 0.23255 0.14353 ++ {0.0} {} {A:263.CA} 45.97774 1.78028 1.06159 ++ {0.0} {} 0.0 7.4532 0 {} 0 0 0 48 {B:L32.HD11} 0.96753 0.01999 0.02283 ++ {0.0} {} {A:265.HG13} 1.08200 0.23532 0.26205 ++ {0.0} {} {A:265.CG1} 28.26254 2.18087 2.50980 ++ {0.0} {} 0.0 7.8083 0 {} 0 0 0 49 {B:L32.HG} 1.79403 0.03299 0.04482 ++ {0.0} {} {A:260.HA} 4.53142 0.17462 0.25857 ++ {0.0} {} {A:260.CA} 57.18755 1.99779 2.72760 ++ {0.0} {} 0.0 10.5496 0 {} 0 0 0 50 {B:L32.HG} 1.79258 0.03892 0.04065 ++ {0.0} {} {A:263.HA2} 3.98847 0.22450 0.23454 ++ {0.0} {} {A:263.CA} 45.99059 1.75044 1.83661 ++ {0.0} {} 0.0 7.0424 0 {} 0 0 0 51 {B:L32.HG} 1.79354 0.03220 0.03302 ++ {0.0} {} {A:263.HA3} 3.67545 0.18463 0.18953 ++ {0.0} {} {A:263.CA} 45.95371 1.74022 1.78534 ++ {0.0} {} 0.0 6.8739 0 {} 0 0 0 52 {B:R52.HD2} 3.29131 0.04092 0.03364 ++ {0.0} {} {A:265.HG12} 1.86664 0.31082 0.24481 ++ {0.0} {} {A:265.CG1} 28.43020 2.36497 1.94462 ++ {0.0} {} 0.0 3.6385 0 {} 0 0 0 53 {B:R52.HD2} 3.29017 0.03367 0.04310 ++ {0.0} {} {A:265.HG21} 0.87119 0.14007 0.18937 ++ {0.0} {} {A:265.CG2} 18.01209 1.87033 2.52575 ++ {0.0} {} 0.0 6.5970 0 {} 0 0 0 54 {B:R52.HD2} 3.29015 0.03123 0.04221 ++ {0.0} {} {A:265.HD11} 1.00355 0.17557 0.25689 ++ {0.0} {} {A:265.CD1} 13.65422 1.61046 2.34233 ++ {0.0} {} 0.0 7.8548 0 {} 0 0 0 55 {} 0.91720 0.01682 0.02403 ++ {0.0} {} {} 2.98631 0.22936 0.23056 ++ {0.0} {} {} 42.16568 1.50082 1.50782 ++ {0.0} {} 0.0 1.4108 -1 {} 0 0 0 56 {B:L32.HD21} 0.92048 0.01819 0.01818 ++ {0.0} {} {A:260.HB3} 2.74590 0.26499 0.26477 ++ {0.0} {} {A:260.CB} 39.53493 2.69559 2.69408 ++ {0.0} {} 0.0 1.4034 0 {} 0 0 0 57 {B:L32.HD21} 0.91646 0.02580 0.05549 ++ {0.0} {} {A:265.HB} 1.98604 0.08566 0.32096 ++ {0.0} {} {A:265.CB} 38.38102 2.28218 3.74862 ++ {0.0} {} 0.0 2.6753 0 {} 0 0 0 58 {B:L32.HD21} 0.91780 0.02642 0.07251 ++ {0.0} {} {A:265.HG13} 1.07464 0.23921 0.34173 ++ {0.0} {} {A:265.CG1} 28.27311 2.13696 4.72660 ++ {0.0} {} 0.0 7.5662 0 {} 0 0 0 59 {B:R52.HD3} 3.20075 0.02974 0.04514 ++ {0.0} {} {A:I265.HG21} 0.85949 0.13833 0.21248 ++ {0.0} {} {A:I265.CG2} 17.96338 1.75062 2.52120 ++ {0.0} {} 0.0 7.6546 0 {} 0 0 0 60 {B:R52.HD3} 3.20066 0.03319 0.05084 ++ {0.0} {} {A:I265.HD11} 1.00631 0.17946 0.27848 ++ {0.0} {} {A:I265.CD1} 13.70603 1.50931 2.27389 ++ {0.0} {} 0.0 8.6847 0 {} 0 0 0 61 {B:R52.HD3} 3.19605 0.05084 0.04419 ++ {0.0} {} {A:I265.HG12} 1.86449 0.22768 0.18399 ++ {0.0} {} {A:I265.CG1} 28.28015 2.99756 2.60091 ++ {0.0} {} 0.0 3.7501 0 {} 0 0 0 ; loop_ _Spectral_dim.ID _Spectral_dim.Axis_code _Spectral_dim.Spectrometer_frequency _Spectral_dim.Atom_type _Spectral_dim.Atom_isotope_number _Spectral_dim.Spectral_region _Spectral_dim.Magnetization_linkage_ID _Spectral_dim.Under_sampling_type _Spectral_dim.Sweep_width _Spectral_dim.Sweep_width_units _Spectral_dim.Value_first_point _Spectral_dim.Absolute_peak_positions _Spectral_dim.Acquisition _Spectral_dim.Center_frequency_offset _Spectral_dim.Encoding_code _Spectral_dim.Encoded_reduced_dimension_ID _Spectral_dim.Entry_ID _Spectral_dim.Spectral_peak_list_ID 1 . . H 1 C-aliphatic . 'not observed' 15 ppm . . . 4.77 . . 31138 1 2 . . H 1 C-aliphatic 3 'not observed' 11 ppm . . . 4.77 . . 31138 1 3 . . C 13 C-aliphatic . 'not observed' 80 ppm . . . 45.7 . . 31138 1 stop_ save_