######################### # 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 34313 _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.Experiment_ID 1 _Spectral_peak_list.Experiment_name '2D 1H-1H NOESY' _Spectral_peak_list.Experiment_class . _Spectral_peak_list.Experiment_type . _Spectral_peak_list.Number_of_spectral_dimensions 2 _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 ; # Number of dimensions 2 #INAME 1 H1 #INAME 2 H1 15 8.386 4.365 0 U 9.645e+02 0.00e+00 - 0 24 9 0 # H S31/HA V30 18 8.395 4.755 0 U 2.509e+02 0.00e+00 - 0 24 25 0 # H/HA S31 97 8.417 4.456 0 U 9.785e+02 0.00e+00 - 0 17 18 0 # H/HA S4 99 8.417 4.476 0 U 6.717e+02 0.00e+00 - 0 17 282 0 # H S4/HA W3 105 7.996 4.828 0 U 8.165e+02 0.00e+00 - 0 95 96 0 # H/HA N20 109 7.996 4.268 0 U 6.654e+02 0.00e+00 - 0 95 103 0 # H N20/HA K19 146 7.703 4.269 0 U 9.646e+02 0.00e+00 - 0 110 111 0 # H/HA A16 149 7.702 4.391 0 U 6.725e+02 0.00e+00 - 0 110 46 0 # H A16/HA T15 187 8.354 3.741 0 U 3.420e+02 0.00e+00 - 0 135 255 0 # H W7/HA V6 188 8.353 4.687 0 U 3.179e+02 0.00e+00 - 0 135 138 0 # H/HA W7 211 8.239 3.820 0 U 4.590e+02 0.00e+00 - 0 238 235 0 # H/HA V23 212 8.239 4.513 0 U 2.423e+02 0.00e+00 - 0 238 73 0 # H V23/HA K22 348 8.051 4.456 0 U 5.659e+02 0.00e+00 - 0 80 18 0 # H S5/HA S4 350 8.051 4.118 0 U 1.477e+03 0.00e+00 - 0 80 233 0 # H/HB2 S5 353 8.051 4.514 0 U -7.111e+02 0.00e+00 - 0 80 81 0 # H/HA S5 374 8.746 3.833 0 U 2.117e+03 0.00e+00 - 0 4 5 0 # H/HA G14 376 8.746 3.963 0 U 4.081e+02 0.00e+00 - 0 4 38 0 # H G14/HA V13 381 8.330 4.341 0 U 2.512e+02 0.00e+00 - 0 28 30 0 # H/HA A27 385 8.330 4.324 0 U 6.023e+02 0.00e+00 - 0 28 300 0 # H A27/HA Y26 414 8.773 3.813 0 U 7.932e+02 0.00e+00 - 0 1 54 0 # H A10/HA G9 416 8.774 4.084 0 U 1.450e+03 0.00e+00 - 0 1 2 0 # H/HA A10 417 8.774 4.362 0 U 2.367e+02 0.00e+00 - 0 1 22 0 # H A10/HA D8 500 8.015 3.974 0 U 3.201e+02 0.00e+00 - 0 102 86 0 # H K19/HA I17 506 8.015 4.268 0 U 1.217e+03 0.00e+00 - 0 102 103 0 # H/HA K19 507 8.017 4.040 0 U 6.166e+02 0.00e+00 - 0 102 156 0 # H K19/HA I18 509 7.992 4.632 0 U 9.649e+02 0.00e+00 - 0 98 99 0 # H/HA N12 514 7.993 4.361 0 U 3.342e+02 0.00e+00 - 0 98 332 0 # H N12/HA K11 518 7.993 4.081 0 U 4.118e+02 0.00e+00 - 0 98 325 0 # H N12/HB2 K11 542 8.504 5.328 0 U 1.666e+02 0.00e+00 - 0 313 322 0 # H/HA C29 546 8.516 4.289 0 U 6.716e+02 0.00e+00 - 0 313 62 0 # H C29/HA V28 608 8.037 3.743 0 U 7.345e+02 0.00e+00 - 0 254 255 0 # H/HA V6 615 8.037 4.514 0 U 5.399e+02 0.00e+00 - 0 254 81 0 # H V6/HA S5 690 8.328 4.211 0 U 2.359e+02 0.00e+00 - 0 301 230 0 # H Y26/HA V25 691 8.328 4.324 0 U -5.412e+01 0.00e+00 - 0 301 300 0 # H/HA Y26 727 8.487 5.322 0 U 2.860e+02 0.00e+00 - 0 8 322 0 # H V30/HA C29 729 8.487 4.364 0 U 3.736e+02 0.00e+00 - 0 8 9 0 # H/HA V30 831 8.126 4.341 0 U 6.905e+02 0.00e+00 - 0 61 30 0 # H V28/HA A27 837 8.126 4.284 0 U 5.481e+02 0.00e+00 - 0 61 62 0 # H/HA V28 849 8.217 4.361 0 U 5.055e+02 0.00e+00 - 0 225 332 0 # H/HA K11 854 8.217 4.086 0 U 1.223e+03 0.00e+00 - 0 225 2 0 # H K11/HA A10 901 7.888 3.974 0 U 2.757e+02 0.00e+00 - 0 151 86 0 # H I18/HA I17 911 7.888 4.033 0 U 8.086e+02 0.00e+00 - 0 151 156 0 # H/HA I18 919 8.285 4.627 0 U 3.649e+02 0.00e+00 - 0 37 99 0 # H V13/HA N12 923 8.280 3.967 0 U 8.766e+02 0.00e+00 - 0 37 38 0 # H/HA V13 953 8.414 4.691 0 U 2.895e+02 0.00e+00 - 0 21 138 0 # H D8/HA W7 963 8.414 4.360 0 U 1.561e+03 0.00e+00 - 0 21 22 0 # H/HA D8 1014 8.270 4.374 0 U 1.079e+03 0.00e+00 - 0 42 43 0 # H/HA A21 1015 8.275 4.828 0 U 8.665e+02 0.00e+00 - 0 42 96 0 # H A21/HA N20 1022 8.054 4.513 0 U 1.699e+03 0.00e+00 - 0 72 73 0 # H/HA K22 1031 8.245 3.833 0 U 8.275e+02 0.00e+00 - 0 45 5 0 # H T15/HA G14 1039 8.245 4.386 0 U 1.147e+03 0.00e+00 - 0 45 46 0 # H/HA T15 1044 8.274 4.278 0 U 4.909e+02 0.00e+00 - 0 31 32 0 # H/HA K33 1045 8.275 4.896 0 U 5.574e+02 0.00e+00 - 0 31 11 0 # H K33/HA H32 1108 8.385 5.363 0 U 1.940e+02 0.00e+00 - 0 141 142 0 # H/HA C24 1112 8.419 5.363 0 U 2.796e+02 0.00e+00 - 0 245 142 0 # H V25/HA C24 1116 8.416 4.203 0 U 1.139e+03 0.00e+00 - 0 245 230 0 # H/HA V25 1156 9.269 4.087 0 U 1.220e+02 0.00e+00 - 0 246 288 0 # H F2/HA2 G1 1166 9.277 4.152 0 U 1.494e+02 0.00e+00 - 0 246 289 0 # H F2/HA3 G1 1167 9.281 4.304 0 U 1.271e+02 0.00e+00 - 0 246 285 0 # H/HA F2 1171 8.499 4.890 0 U 2.342e+02 0.00e+00 - 0 10 11 0 # H/HA H32 1175 8.501 4.754 0 U 3.778e+02 0.00e+00 - 0 10 25 0 # H H32/HA S31 1265 8.490 4.487 0 U 9.447e+02 0.00e+00 - 0 6 282 0 # H/HA W3 1273 8.490 4.297 0 U 6.165e+02 0.00e+00 - 0 6 285 0 # H W3/HA F2 1291 8.052 3.973 0 U 1.501e+03 0.00e+00 - 0 85 86 0 # H/HA I17 1293 8.054 4.267 0 U 7.176e+02 0.00e+00 - 0 85 111 0 # H I17/HA A16 1400 8.241 3.817 0 U 8.981e+02 0.00e+00 - 0 53 54 0 # H/HA G9 1402 8.241 4.352 0 U 4.335e+02 0.00e+00 - 0 53 22 0 # H G9/HA D8 ; 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 H . aliased 10.0185 ppm . . . 4.703 . . 34313 1 2 . . H 1 H . aliased 16.0296 ppm . . . 4.703 . . 34313 1 stop_ save_