######################### # 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 51351 _Spectral_peak_list.ID 1 _Spectral_peak_list.Name tsr3nc2_nhsqc _Spectral_peak_list.Sample_ID 2 _Spectral_peak_list.Sample_label $sample_2 _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 14 _Spectral_peak_list.Experiment_name '2D 1H-15N HSQC' _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 N15 1 8.489 117.622 0 U 0.000e+00 0.00e+00 - 0 164 165 0 # H/N L37 2 7.466 110.383 0 U 0.000e+00 0.00e+00 - 0 984 986 0 # HE21/NE2 Q63 3 8.983 120.497 0 U 0.000e+00 0.00e+00 - 0 45 46 0 # H/N C65 4 8.931 117.621 0 U 0.000e+00 0.00e+00 - 0 77 78 0 # H/N N61 5 8.594 104.543 0 U 0.000e+00 0.00e+00 - 0 109 110 0 # H/N G46 6 8.494 123.607 0 U 0.000e+00 0.00e+00 - 0 15 16 0 # H/N S24 7 8.213 121.953 0 U 0.000e+00 0.00e+00 - 0 27 28 0 # H/N W14 8 6.962 113.406 0 U 0.000e+00 0.00e+00 - 0 970 971 0 # HD22/ND2 N61 9 7.976 119.415 0 U 0.000e+00 0.00e+00 - 0 63 64 0 # H/N A42 10 8.478 112.566 0 U 0.000e+00 0.00e+00 - 0 95 96 0 # H/N G4 11 5.437 107.945 0 U 0.000e+00 0.00e+00 - 0 988 989 0 # HE22/NE2 Q58 12 8.696 120.411 0 U 0.000e+00 0.00e+00 - 0 49 50 0 # H/N Q44 13 8.469 117.554 0 U 0.000e+00 0.00e+00 - 0 81 82 0 # H/N R34 14 7.554 114.112 0 U 0.000e+00 0.00e+00 - 0 113 114 0 # H/N C27 15 8.677 125.366 0 U 0.000e+00 0.00e+00 - 0 5 6 0 # H/N N11 16 8.412 121.837 0 U 0.000e+00 0.00e+00 - 0 31 32 0 # H/N E56 17 8.598 118.574 0 U 0.000e+00 0.00e+00 - 0 67 68 0 # H/N D53 18 9.270 111.425 0 U 0.000e+00 0.00e+00 - 0 99 100 0 # H/N G15 19 9.796 128.954 0 U 0.000e+00 0.00e+00 - 0 1016 1017 0 # HE1/NE1 W17 20 6.798 110.994 0 U 0.000e+00 0.00e+00 - 0 992 991 0 # HE22/NE2 Q32 21 8.499 120.230 0 U 0.000e+00 0.00e+00 - 0 53 54 0 # H/N K48 22 7.856 116.717 0 U 0.000e+00 0.00e+00 - 0 85 86 0 # H/N S7 23 7.345 109.577 0 U 0.000e+00 0.00e+00 - 0 117 118 0 # H/N T55 24 7.973 113.411 0 U 0.000e+00 0.00e+00 - 0 969 971 0 # HD21/ND2 N61 25 8.305 126.982 0 U 0.000e+00 0.00e+00 - 0 1 2 0 # H/N L68 26 8.180 124.082 0 U 0.000e+00 0.00e+00 - 0 11 12 0 # H/N W20 27 8.752 121.302 0 U 0.000e+00 0.00e+00 - 0 35 36 0 # H/N Q63 28 6.592 108.299 0 U 0.000e+00 0.00e+00 - 0 978 979 0 # HD21/ND2 N39 29 9.077 120.919 0 U 0.000e+00 0.00e+00 - 0 39 40 0 # H/N F45 30 9.007 117.902 0 U 0.000e+00 0.00e+00 - 0 71 72 0 # H/N G52 31 8.414 109.623 0 U 0.000e+00 0.00e+00 - 0 103 104 0 # H/N G29 32 6.213 107.947 0 U 0.000e+00 0.00e+00 - 0 987 989 0 # HE21/NE2 Q58 33 8.405 122.689 0 U 0.000e+00 0.00e+00 - 0 21 22 0 # H/N N6 34 7.008 114.376 0 U 0.000e+00 0.00e+00 - 0 964 965 0 # HD22/ND2 N11 35 8.629 120.088 0 U 0.000e+00 0.00e+00 - 0 57 58 0 # H/N N40 36 8.572 115.838 0 U 0.000e+00 0.00e+00 - 0 89 90 0 # H/N G30 37 6.870 113.156 0 U 0.000e+00 0.00e+00 - 0 973 974 0 # HD22/ND2 N6 38 8.204 120.382 0 U 0.000e+00 0.00e+00 - 0 226 227 0 # H/N W17 39 8.206 123.590 0 U 0.000e+00 0.00e+00 - 0 17 18 0 # H/N I10 40 6.802 111.724 0 U 0.000e+00 0.00e+00 - 0 982 983 0 # HE22/NE2 Q44 41 8.614 120.650 0 U 0.000e+00 0.00e+00 - 0 43 44 0 # H/N Q32 42 8.499 117.788 0 U 0.000e+00 0.00e+00 - 0 75 76 0 # H/N N57 43 8.967 107.024 0 U 0.000e+00 0.00e+00 - 0 107 108 0 # H/N G12 44 8.083 122.195 0 U 0.000e+00 0.00e+00 - 0 25 26 0 # H/N I59 45 7.879 119.495 0 U 0.000e+00 0.00e+00 - 0 61 62 0 # H/N I5 46 8.576 113.138 0 U 0.000e+00 0.00e+00 - 0 93 94 0 # H/N S35 47 9.135 124.285 0 U 0.000e+00 0.00e+00 - 0 7 8 0 # H/N C38 48 7.945 120.470 0 U 0.000e+00 0.00e+00 - 0 47 48 0 # H/N C60 49 8.780 117.597 0 U 0.000e+00 0.00e+00 - 0 79 80 0 # H/N V31 50 7.508 121.181 0 U 0.000e+00 0.00e+00 - 0 111 112 0 # H/N N39 51 7.733 114.373 0 U 0.000e+00 0.00e+00 - 0 963 965 0 # HD21/ND2 N11 52 9.888 128.891 0 U 0.000e+00 0.00e+00 - 0 1029 1030 0 # HE1/NE1 W20 53 8.306 122.178 0 U 0.000e+00 0.00e+00 - 0 29 30 0 # H/N I67 54 7.530 113.155 0 U 0.000e+00 0.00e+00 - 0 972 974 0 # HD21/ND2 N6 55 8.309 121.351 0 U 0.000e+00 0.00e+00 - 0 37 38 0 # H/N I3 56 8.259 119.289 0 U 0.000e+00 0.00e+00 - 0 65 66 0 # H/N C50 57 8.815 111.838 0 U 0.000e+00 0.00e+00 - 0 97 98 0 # H/N G13 58 7.458 111.726 0 U 0.000e+00 0.00e+00 - 0 981 983 0 # HE21/NE2 Q44 59 9.009 123.690 0 U 0.000e+00 0.00e+00 - 0 13 14 0 # H/N D21 60 7.797 110.998 0 U 0.000e+00 0.00e+00 - 0 990 991 0 # HE21/NE2 Q32 61 8.199 120.362 0 U 0.000e+00 0.00e+00 - 0 51 52 0 # H/N 26 62 7.970 117.395 0 U 0.000e+00 0.00e+00 - 0 83 84 0 # H/N I22 63 7.495 106.491 0 U 0.000e+00 0.00e+00 - 0 115 116 0 # H/N G47 64 6.667 111.750 0 U 0.000e+00 0.00e+00 - 0 967 968 0 # HD22/ND2 N57 65 8.436 121.559 0 U 0.000e+00 0.00e+00 - 0 33 34 0 # H/N D64 66 6.806 110.400 0 U 0.000e+00 0.00e+00 - 0 976 977 0 # HD22/ND2 N40 67 8.505 118.082 0 U 0.000e+00 0.00e+00 - 0 69 70 0 # H/N R36 68 8.743 110.868 0 U 0.000e+00 0.00e+00 - 0 101 102 0 # H/N X26 69 6.496 110.385 0 U 0.000e+00 0.00e+00 - 0 985 986 0 # HE22/NE2 Q63 70 8.126 125.395 0 U 0.000e+00 0.00e+00 - 0 3 4 0 # H/N 2 71 7.872 123.383 0 U 0.000e+00 0.00e+00 - 0 19 20 0 # H/N D8 72 8.815 120.190 0 U 0.000e+00 0.00e+00 - 0 55 56 0 # H/N K33 73 8.474 116.411 0 U 0.000e+00 0.00e+00 - 0 87 88 0 # H/N V54 74 6.947 111.618 0 U 0.000e+00 0.00e+00 - 0 119 120 0 # H/N V25 75 9.494 127.280 0 U 0.000e+00 0.00e+00 - 0 1004 1005 0 # HE1/NE1 W14 76 7.505 108.298 0 U 0.000e+00 0.00e+00 - 0 980 979 0 # HD22/ND2 N39 77 8.189 120.690 0 U 0.000e+00 0.00e+00 - 0 41 42 0 # H/N D49 78 8.769 117.836 0 U 0.000e+00 0.00e+00 - 0 73 74 0 # H/N Q58 79 9.075 108.986 0 U 0.000e+00 0.00e+00 - 0 105 106 0 # H/N G28 80 8.252 121.882 0 U 0.000e+00 0.00e+00 - 0 137 138 0 # H/N E69 81 8.640 124.197 0 U 0.000e+00 0.00e+00 - 0 9 10 0 # H/N C23 82 8.357 122.425 0 U 0.000e+00 0.00e+00 - 0 23 24 0 # H/N V51 83 7.266 111.750 0 U 0.000e+00 0.00e+00 - 0 966 968 0 # HD21/ND2 N57 84 9.367 119.834 0 U 0.000e+00 0.00e+00 - 0 59 60 0 # H/N S18 85 8.274 115.143 0 U 0.000e+00 0.00e+00 - 0 91 92 0 # H/N K62 86 7.063 110.396 0 U 0.000e+00 0.00e+00 - 0 975 977 0 # HD21/ND2 N40 ; 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 amide . aliased 6.61525 ppm . . . . . . 51351 1 2 . . N 15 amide . aliased 35 ppm . . . . . . 51351 1 stop_ loop_ _Spectral_peak_software.Software_ID _Spectral_peak_software.Software_label _Spectral_peak_software.Method_ID _Spectral_peak_software.Method_label _Spectral_peak_software.Entry_ID _Spectral_peak_software.Spectral_peak_list_ID 5 $software_5 . . 51351 1 stop_ save_