######################### # 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 31088 _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 '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 H #INAME 2 H #CYANAFORMAT HH 1 7.634 4.056 1 T 1.040e+06 0.00e+00 a 0 H.7 HA.7 2 7.634 1.524 1 T 1.909e+06 0.00e+00 a 0 H.7 QB.7 3 4.056 1.524 1 T 8.975e+05 0.00e+00 a 0 HA.7 QB.7 4 1.524 4.056 1 T 3.318e+06 0.00e+00 a 0 QB.7 HA.7 5 1.524 7.634 1 T 2.366e+06 0.00e+00 a 0 QB.7 H.7 6 7.612 4.353 1 T 7.891e+05 0.00e+00 a 0 H.12 HA.12 7 7.612 2.330 1 T 5.349e+05 0.00e+00 a 0 H.12 HB.12 8 7.612 1.034 1 T 1.900e+06 0.00e+00 a 0 H.12 QG2.12 9 7.612 0.986 1 T 9.153e+05 0.00e+00 a 0 H.12 QG1.12 10 2.330 7.612 1 T 3.441e+05 0.00e+00 a 0 HB.12 H.12 11 1.034 7.612 1 T 1.732e+06 0.00e+00 a 0 QG2.12 H.12 12 0.986 7.612 1 T 7.337e+05 0.00e+00 a 0 QG1.12 H.12 13 1.034 4.353 1 T 1.211e+06 0.00e+00 a 0 QG2.12 HA.12 15 2.330 4.353 1 T 1.408e+06 0.00e+00 a 0 HB.12 HA.12 16 1.034 2.330 1 T 1.576e+06 0.00e+00 a 0 QG2.12 HB.12 17 0.986 2.330 1 T 1.329e+06 0.00e+00 a 0 QG1.12 HB.12 18 2.330 1.034 1 T 9.659e+05 0.00e+00 a 0 HB.12 QG2.12 19 2.330 0.986 1 T 7.195e+05 0.00e+00 a 0 HB.12 QG1.12 20 7.461 4.232 1 T 8.570e+05 0.00e+00 a 0 H.13 HA.13 21 7.461 4.353 1 T 4.554e+05 0.00e+00 a 0 H.13 HA.12 22 7.612 7.461 1 T 1.361e+06 0.00e+00 a 0 H.12 H.13 23 7.461 7.612 1 T 1.372e+06 0.00e+00 a 0 H.13 H.12 24 7.461 0.897 1 T 6.848e+05 0.00e+00 a 0 H.13 QD1.13 25 7.461 1.606 1 T 6.767e+05 0.00e+00 a 0 H.13 HB2.13 26 7.461 1.691 1 T 8.977e+05 0.00e+00 a 0 H.13 HB3.13 27 4.232 0.897 1 T 4.246e+05 0.00e+00 a 0 HA.13 QD1.13 28 1.691 7.461 1 T 5.457e+05 0.00e+00 a 0 HB3.13 H.13 29 1.606 7.461 1 T 4.574e+05 0.00e+00 a 0 HB2.13 H.13 30 0.897 7.461 1 T 8.973e+05 0.00e+00 a 0 QD1.13 H.13 31 1.690 4.232 1 T 6.601e+05 0.00e+00 a 0 HB3.13 HA.13 32 1.606 4.231 1 T 6.599e+05 0.00e+00 a 0 HB2.13 HA.13 33 0.897 4.232 1 T 3.278e+06 0.00e+00 a 0 QD1.13 HA.13 34 0.897 1.606 1 T 3.544e+06 0.00e+00 a 0 QD1.13 HB2.13 35 0.897 1.691 1 T 2.325e+06 0.00e+00 a 0 QD1.13 HB3.13 37 1.690 0.897 1 T 1.370e+06 0.00e+00 a 0 HB3.13 QD1.13 38 7.685 4.233 1 T 1.065e+06 0.00e+00 a 0 H.11 HA.11 39 7.612 4.233 1 T 5.919e+05 0.00e+00 a 0 H.12 HA.11 40 7.685 7.461 1 T 3.251e+05 0.00e+00 a 0 H.11 H.13 41 7.461 7.685 1 T 3.170e+05 0.00e+00 a 0 H.13 H.11 42 1.567 3.026 1 T 5.868e+05 0.00e+00 a 0 HG3.11 HE2.11 43 1.450 3.026 1 T 4.342e+05 0.00e+00 a 0 HG2.11 HE2.11 44 1.731 3.026 1 T 2.038e+06 0.00e+00 a 0 HD3.11 HE3.11 45 1.731 7.684 1 T 1.350e+06 0.00e+00 a 0 HD3.11 H.11 46 1.567 7.685 1 T 3.869e+05 0.00e+00 a 0 HG3.11 H.11 47 1.731 4.233 1 T 8.128e+05 0.00e+00 a 0 HD3.11 HA.11 48 1.567 4.233 1 T 5.251e+05 0.00e+00 a 0 HG3.11 HA.11 49 3.026 1.731 1 T 2.156e+06 0.00e+00 a 0 HE2.11 HD3.11 50 1.450 1.731 1 T 2.272e+06 0.00e+00 a 0 HG2.11 HD2.11 51 1.567 1.731 1 T 5.599e+06 0.00e+00 a 0 HG3.11 HD2.11 52 3.027 1.567 1 T 8.782e+05 0.00e+00 a 0 HE2.11 HG3.11 53 3.027 1.450 1 T 5.742e+05 0.00e+00 a 0 HE2.11 HG2.11 54 1.731 1.450 1 T 2.264e+06 0.00e+00 a 0 HD2.11 HG2.11 55 1.731 1.567 1 T 5.117e+06 0.00e+00 a 0 HD2.11 HG3.11 56 1.566 1.450 1 T 3.214e+06 0.00e+00 a 0 HG3.11 HG2.11 57 1.450 1.566 1 T 3.149e+06 0.00e+00 a 0 HG2.11 HG3.11 58 7.684 1.731 1 T 1.474e+06 0.00e+00 a 0 H.11 HD2.11 59 7.977 4.044 1 T 1.343e+06 0.00e+00 a 0 H.10 HA.10 60 7.461 4.044 1 T 3.771e+05 0.00e+00 a 0 H.13 HA.10 61 7.684 4.044 1 T 1.246e+06 0.00e+00 a 0 H.11 HA.10 62 7.685 7.977 1 T 9.153e+05 0.00e+00 a 0 H.11 H.10 63 7.976 7.685 1 T 8.236e+05 0.00e+00 a 0 H.10 H.11 64 4.044 7.976 1 T 6.410e+05 0.00e+00 a 0 HA.10 H.10 65 1.701 2.973 1 T 1.126e+06 0.00e+00 a 0 HD3.10 HE3.10 67 1.700 4.044 1 T 1.391e+06 0.00e+00 a 0 HD3.10 HA.10 68 2.973 1.701 1 T 1.094e+06 0.00e+00 a 0 HE2.10 HD2.10 69 4.044 1.701 1 T 6.739e+05 0.00e+00 a 0 HA.10 HD2.10 70 7.977 1.700 1 T 7.432e+05 0.00e+00 a 0 H.10 HD3.10 71 1.896 7.976 1 T 1.139e+06 0.00e+00 a 0 HB3.10 H.10 72 1.896 4.044 1 T 2.180e+06 0.00e+00 a 0 HB3.10 HA.10 73 1.701 1.896 1 T 2.316e+06 0.00e+00 a 0 HD2.10 HB2.10 74 1.896 1.701 1 T 1.920e+06 0.00e+00 a 0 HB3.10 HD3.10 75 7.977 1.896 1 T 1.364e+06 0.00e+00 a 0 H.10 HB2.10 76 2.206 3.624 1 T 2.484e+05 0.00e+00 a 0 HB.5 HA.5 77 7.627 3.624 1 T 7.005e+05 0.00e+00 a 0 H.5 HA.5 78 2.205 7.627 1 T 5.882e+05 0.00e+00 a 0 HB.5 H.5 79 1.057 7.627 1 T 1.920e+06 0.00e+00 a 0 QG1.5 H.5 80 0.949 7.627 1 T 1.069e+06 0.00e+00 a 0 QG2.5 H.5 82 0.948 3.624 1 T 1.752e+06 0.00e+00 a 0 QG2.5 HA.5 83 1.057 2.206 1 T 1.844e+06 0.00e+00 a 0 QG1.5 HB.5 84 0.948 2.206 1 T 1.929e+06 0.00e+00 a 0 QG2.5 HB.5 85 1.057 0.948 1 T 6.785e+06 0.00e+00 a 0 QG1.5 QG2.5 86 0.948 1.057 1 T 6.850e+06 0.00e+00 a 0 QG2.5 QG1.5 87 2.206 0.949 1 T 1.035e+06 0.00e+00 a 0 HB.5 QG2.5 88 2.206 1.057 1 T 9.865e+05 0.00e+00 a 0 HB.5 QG1.5 89 3.624 1.057 1 T 1.027e+06 0.00e+00 a 0 HA.5 QG1.5 90 3.624 0.949 1 T 1.547e+06 0.00e+00 a 0 HA.5 QG2.5 91 7.627 0.948 1 T 1.053e+06 0.00e+00 a 0 H.5 QG2.5 92 7.627 1.057 1 T 2.180e+06 0.00e+00 a 0 H.5 QG1.5 93 8.278 3.955 1 T 9.525e+05 0.00e+00 a 0 H.4 HA.4 94 8.278 1.733 1 T 6.081e+05 0.00e+00 a 0 H.4 HD3.4 95 8.278 1.856 1 T 8.391e+05 0.00e+00 a 0 H.4 HB2.4 96 8.278 1.926 1 T 1.023e+06 0.00e+00 a 0 H.4 HB3.4 97 8.278 1.444 1 T 3.116e+05 0.00e+00 a 0 H.4 HG3.4 98 8.278 1.566 1 T 5.590e+05 0.00e+00 a 0 H.4 HG2.4 99 3.955 1.444 1 T 2.884e+05 0.00e+00 a 0 HA.4 HG3.4 100 3.955 1.733 1 T 2.887e+05 0.00e+00 a 0 HA.4 HD3.4 101 3.955 1.856 1 T 7.335e+05 0.00e+00 a 0 HA.4 HB2.4 102 3.956 1.925 1 T 5.562e+05 0.00e+00 a 0 HA.4 HB3.4 103 1.926 8.278 1 T 4.669e+05 0.00e+00 a 0 HB3.4 H.4 104 1.856 8.278 1 T 4.770e+05 0.00e+00 a 0 HB2.4 H.4 105 1.733 8.278 1 T 4.213e+05 0.00e+00 a 0 HD3.4 H.4 106 1.444 3.955 1 T 2.942e+05 0.00e+00 a 0 HG3.4 HA.4 107 1.566 3.956 1 T 2.737e+05 0.00e+00 a 0 HG2.4 HA.4 108 1.733 3.956 1 T 3.894e+05 0.00e+00 a 0 HD3.4 HA.4 109 1.856 3.955 1 T 6.354e+05 0.00e+00 a 0 HB2.4 HA.4 110 1.926 3.955 1 T 5.933e+05 0.00e+00 a 0 HB3.4 HA.4 111 1.445 1.856 1 T 6.662e+05 0.00e+00 a 0 HG3.4 HB2.4 112 1.444 1.926 1 T 2.943e+05 0.00e+00 a 0 HG3.4 HB3.4 113 1.566 1.856 1 T 1.863e+06 0.00e+00 a 0 HG2.4 HB2.4 114 1.566 1.926 1 T 1.258e+06 0.00e+00 a 0 HG2.4 HB3.4 115 1.733 1.856 1 T 2.984e+06 0.00e+00 a 0 HD2.4 HB2.4 116 1.733 1.926 1 T 4.504e+06 0.00e+00 a 0 HD2.4 HB3.4 117 1.733 1.444 1 T 2.264e+06 0.00e+00 a 0 HD2.4 HG3.4 118 1.566 1.444 1 T 3.214e+06 0.00e+00 a 0 HG2.4 HG3.4 119 1.856 1.444 1 T 7.402e+05 0.00e+00 a 0 HB2.4 HG3.4 120 1.733 1.566 1 T 5.117e+06 0.00e+00 a 0 HD2.4 HG2.4 121 1.856 1.566 1 T 1.772e+06 0.00e+00 a 0 HB2.4 HG2.4 122 1.926 1.566 1 T 1.188e+06 0.00e+00 a 0 HB3.4 HG2.4 123 1.926 1.733 1 T 4.216e+06 0.00e+00 a 0 HB3.4 HD3.4 124 7.938 4.165 1 T 6.693e+05 0.00e+00 a 0 H.3 HA.3 125 8.278 4.165 1 T 4.282e+05 0.00e+00 a 0 H.4 HA.3 126 7.634 4.165 1 T 7.527e+05 0.00e+00 a 0 H.7 HA.3 127 8.278 7.938 1 T 6.098e+05 0.00e+00 a 0 H.4 H.3 128 7.938 8.278 1 T 3.479e+05 0.00e+00 a 0 H.3 H.4 129 7.938 7.627 1 T 7.621e+05 0.00e+00 a 0 H.3 H.5 130 7.627 7.938 1 T 6.710e+05 0.00e+00 a 0 H.5 H.3 131 8.178 4.020 1 T 1.702e+06 0.00e+00 a 0 H.9 HA.9 132 8.177 3.624 1 T 4.221e+05 0.00e+00 a 0 H.6 HA.5 133 8.178 3.955 1 T 3.182e+05 0.00e+00 a 0 - - 134 7.681 4.131 1 T 1.124e+06 0.00e+00 a 0 H.8 HA.8 135 7.681 3.624 1 T 3.869e+05 0.00e+00 a 0 H.8 HA.5 136 8.177 7.977 1 T 6.311e+05 0.00e+00 a 0 H.9 H.10 137 7.976 8.177 1 T 5.472e+05 0.00e+00 a 0 H.10 H.9 138 7.681 8.177 1 T 1.055e+06 0.00e+00 a 0 H.8 H.9 139 8.177 7.681 1 T 1.178e+06 0.00e+00 a 0 H.9 H.8 140 8.177 7.634 1 T 1.564e+06 0.00e+00 a 0 H.6 H.7 141 7.634 8.176 1 T 1.289e+06 0.00e+00 a 0 H.7 H.6 142 7.681 1.918 1 T 1.501e+06 0.00e+00 a 0 H.8 HB2.8 143 7.681 1.829 1 T 9.684e+05 0.00e+00 a 0 H.8 HG.8 145 0.940 4.131 1 T 2.451e+06 0.00e+00 a 0 QD1.8 HA.8 146 1.829 4.132 1 T 7.613e+05 0.00e+00 a 0 HG.8 HA.8 147 1.918 4.131 1 T 1.018e+06 0.00e+00 a 0 HB2.8 HA.8 148 1.918 7.681 1 T 1.186e+06 0.00e+00 a 0 HB3.8 H.8 149 1.829 7.681 1 T 8.609e+05 0.00e+00 a 0 HG.8 H.8 150 0.940 7.681 1 T 9.901e+05 0.00e+00 a 0 QD1.8 H.8 151 0.940 1.829 1 T 3.526e+06 0.00e+00 a 0 QD1.8 HG.8 152 0.940 1.918 1 T 2.150e+06 0.00e+00 a 0 QD1.8 HB3.8 153 1.917 0.940 1 T 1.696e+06 0.00e+00 a 0 HB2.8 QD1.8 154 1.829 0.940 1 T 2.147e+06 0.00e+00 a 0 HG.8 QD1.8 155 4.131 0.940 1 T 5.859e+05 0.00e+00 a 0 HA.8 QD1.8 156 4.131 1.918 1 T 4.332e+05 0.00e+00 a 0 HA.8 HB2.8 157 4.131 7.681 1 T 3.403e+05 0.00e+00 a 0 HA.8 H.8 158 8.178 4.038 1 T 1.430e+06 0.00e+00 a 0 H.6 HA.6 159 8.178 4.165 1 T 4.009e+05 0.00e+00 a 0 H.6 HA.3 160 8.178 2.205 1 T 7.295e+05 0.00e+00 a 0 - - 161 7.681 4.129 1 T 1.124e+06 0.00e+00 a 0 H.2 HA.2 162 7.681 0.967 1 T 8.173e+05 0.00e+00 a 0 H.2 QD2.2 163 0.967 4.129 1 T 1.528e+06 0.00e+00 a 0 QD2.2 HA.2 164 1.739 4.165 1 T 1.683e+06 0.00e+00 a 0 HD2.3 HA.3 165 2.023 4.164 1 T 6.440e+05 0.00e+00 a 0 HB3.3 HA.3 166 1.575 4.164 1 T 5.559e+05 0.00e+00 a 0 HG3.3 HA.3 168 2.023 7.938 1 T 3.186e+05 0.00e+00 a 0 HB3.3 H.3 169 1.740 7.938 1 T 4.658e+05 0.00e+00 a 0 HD3.3 H.3 170 1.575 7.938 1 T 4.081e+05 0.00e+00 a 0 HG3.3 H.3 171 1.575 2.024 1 T 6.420e+05 0.00e+00 a 0 HG3.3 HB3.3 172 1.740 2.024 1 T 1.792e+06 0.00e+00 a 0 HD2.3 HB2.3 173 4.164 2.024 1 T 3.506e+05 0.00e+00 a 0 HA.3 HB2.3 174 7.938 2.023 1 T 6.223e+05 0.00e+00 a 0 H.3 HB3.3 175 7.938 1.575 1 T 4.274e+05 0.00e+00 a 0 H.3 HG2.3 177 4.164 1.739 1 T 5.303e+05 0.00e+00 a 0 HA.3 HD3.3 178 4.164 1.524 1 T 4.749e+05 0.00e+00 a 0 HA.3 QB.7 179 2.024 1.575 1 T 4.221e+05 0.00e+00 a 0 HB2.3 HG2.3 180 2.024 1.739 1 T 1.154e+06 0.00e+00 a 0 HB3.3 HD2.3 181 3.009 1.739 1 T 2.539e+06 0.00e+00 a 0 HE3.3 HD3.3 182 4.020 8.178 1 T 8.527e+05 0.00e+00 a 0 HA.9 H.9 183 4.038 8.178 1 T 6.777e+05 0.00e+00 a 0 HA.6 H.6 184 7.685 2.072 1 T 8.362e+05 0.00e+00 a 0 H.11 HB3.11 185 2.072 4.233 1 T 6.804e+05 0.00e+00 a 0 HB2.11 HA.11 186 2.072 7.685 1 T 5.568e+05 0.00e+00 a 0 HB3.11 H.11 187 2.072 1.731 1 T 6.142e+05 0.00e+00 a 0 HB2.11 HD2.11 188 1.731 2.072 1 T 1.235e+06 0.00e+00 a 0 HD3.11 HB2.11 189 0.856 4.020 1 T 2.983e+06 0.00e+00 a 0 QD1.9 HA.9 190 0.895 4.037 1 T 1.792e+06 0.00e+00 a 0 QD1.6 HA.6 191 8.178 0.895 1 T 6.965e+05 0.00e+00 a 0 H.6 QD2.6 192 8.178 0.856 1 T 5.075e+05 0.00e+00 a 0 H.9 QD2.9 194 4.019 1.898 1 T 1.113e+06 0.00e+00 a 0 HA.9 HB3.9 195 8.178 1.793 1 T 1.695e+06 0.00e+00 a 0 H.9 HG.9 196 8.177 1.898 1 T 1.868e+06 0.00e+00 a 0 H.9 HB2.9 197 4.020 1.794 1 T 1.113e+06 0.00e+00 a 0 HA.9 HG.9 198 1.898 4.020 1 T 1.705e+06 0.00e+00 a 0 HB2.9 HA.9 199 1.794 4.020 1 T 1.318e+06 0.00e+00 a 0 HG.9 HA.9 200 1.898 8.177 1 T 1.289e+06 0.00e+00 a 0 HB3.9 H.9 201 1.793 8.178 1 T 1.120e+06 0.00e+00 a 0 HG.9 H.9 202 7.461 2.330 1 T 2.747e+05 0.00e+00 a 0 H.13 HB.12 203 4.232 7.461 1 T 2.048e+05 0.00e+00 a 0 HA.13 H.13 204 2.330 7.461 1 T 2.110e+05 0.00e+00 a 0 HB.12 H.13 205 7.461 1.034 1 T 5.987e+05 0.00e+00 a 0 H.13 QG2.12 206 7.461 0.986 1 T 3.254e+05 0.00e+00 a 0 H.13 QG1.12 207 1.034 7.461 1 T 7.250e+05 0.00e+00 a 0 QG2.12 H.13 208 1.034 4.232 1 T 2.964e+05 0.00e+00 a 0 QG2.12 HA.13 209 4.044 1.691 1 T 6.886e+05 0.00e+00 a 0 HA.10 HB3.13 210 1.690 1.606 1 T 3.736e+06 0.00e+00 a 0 HB3.13 HB2.13 211 1.606 1.691 1 T 3.735e+06 0.00e+00 a 0 HB2.13 HB3.13 212 4.044 7.684 1 T 6.293e+05 0.00e+00 a 0 HA.10 H.11 213 4.044 7.612 1 T 3.274e+05 0.00e+00 a 0 HA.10 H.12 214 4.233 2.072 1 T 3.098e+05 0.00e+00 a 0 HA.11 HB3.11 215 4.233 1.731 1 T 2.052e+05 0.00e+00 a 0 HA.11 HD3.11 216 1.567 2.072 1 T 3.642e+05 0.00e+00 a 0 HG3.11 HB3.11 217 2.072 1.567 1 T 2.647e+05 0.00e+00 a 0 HB2.11 HG3.11 218 4.165 7.634 1 T 2.766e+05 0.00e+00 a 0 HA.3 H.7 220 7.681 7.976 1 T 9.195e+05 0.00e+00 a 0 H.8 H.10 221 4.233 7.684 1 T 1.900e+05 0.00e+00 a 0 HA.11 H.11 222 7.461 1.783 1 T 8.457e+05 0.00e+00 a 0 H.13 HG.13 223 1.783 7.461 1 T 4.572e+05 0.00e+00 a 0 HG.13 H.13 224 1.783 4.232 1 T 4.583e+05 0.00e+00 a 0 HG.13 HA.13 225 1.783 1.606 1 T 2.314e+06 0.00e+00 a 0 HG.13 HB2.13 226 1.783 1.691 1 T 4.795e+06 0.00e+00 a 0 HG.13 HB3.13 227 1.691 1.783 1 T 4.848e+06 0.00e+00 a 0 HB3.13 HG.13 228 0.897 1.783 1 T 4.135e+06 0.00e+00 a 0 QD1.13 HG.13 229 1.783 0.897 1 T 2.212e+06 0.00e+00 a 0 HG.13 QD1.13 231 1.533 7.977 1 T 4.893e+05 0.00e+00 a 0 HG2.10 H.10 232 1.533 4.044 1 T 2.502e+06 0.00e+00 a 0 HG3.10 HA.10 233 4.044 1.533 1 T 9.945e+05 0.00e+00 a 0 HA.10 HG2.10 234 4.044 1.896 1 T 1.420e+06 0.00e+00 a 0 HA.10 HB2.10 235 1.533 1.896 1 T 1.371e+06 0.00e+00 a 0 HG3.10 HB2.10 236 1.533 1.701 1 T 4.334e+06 0.00e+00 a 0 HG2.10 HD2.10 237 1.896 1.533 1 T 1.220e+06 0.00e+00 a 0 HB2.10 HG3.10 238 1.700 1.534 1 T 4.598e+06 0.00e+00 a 0 HD2.10 HG3.10 239 1.918 3.624 1 T 3.554e+05 0.00e+00 a 0 HB2.8 HA.5 242 3.955 8.278 1 T 2.414e+05 0.00e+00 a 0 HA.4 H.4 243 4.164 7.936 1 T 1.859e+05 0.00e+00 a 0 HA.3 H.3 244 4.164 8.278 1 T 1.855e+05 0.00e+00 a 0 HA.3 H.4 245 8.278 7.627 1 T 2.502e+05 0.00e+00 a 0 H.4 H.5 246 7.627 8.278 1 T 1.867e+05 0.00e+00 a 0 H.5 H.4 247 7.627 2.205 1 T 9.185e+05 0.00e+00 a 0 H.5 HB.5 248 8.178 0.949 1 T 1.391e+06 0.00e+00 a 0 H.6 QG2.5 249 8.177 1.057 1 T 4.869e+05 0.00e+00 a 0 H.6 QG1.5 250 1.057 8.178 1 T 4.893e+05 0.00e+00 a 0 QG1.5 H.6 251 0.948 8.178 1 T 1.128e+06 0.00e+00 a 0 QG2.5 H.6 253 4.020 0.856 1 T 1.059e+06 0.00e+00 a 0 HA.9 QD2.9 254 1.898 0.856 1 T 1.708e+06 0.00e+00 a 0 HB2.9 QD2.9 255 0.856 1.793 1 T 6.048e+05 0.00e+00 a 0 QD2.9 HG.9 256 0.856 1.898 1 T 2.708e+06 0.00e+00 a 0 QD1.9 HB3.9 257 1.898 1.793 1 T 1.880e+06 0.00e+00 a 0 HB3.9 HG.9 258 1.794 1.898 1 T 2.025e+06 0.00e+00 a 0 HG.9 HB3.9 259 4.056 7.634 1 T 4.179e+05 0.00e+00 a 0 HA.7 H.7 260 0.894 8.178 1 T 5.223e+05 0.00e+00 a 0 QD2.6 H.6 263 1.645 4.038 1 T 1.043e+06 0.00e+00 a 0 HB3.6 HA.6 264 1.645 8.178 1 T 6.685e+05 0.00e+00 a 0 HB2.6 H.6 265 4.038 0.895 1 T 9.859e+05 0.00e+00 a 0 HA.6 QD1.6 266 4.038 1.645 1 T 6.204e+05 0.00e+00 a 0 HA.6 HB2.6 267 8.178 1.645 1 T 7.819e+05 0.00e+00 a 0 H.6 HB3.6 268 7.635 1.645 1 T 4.408e+05 0.00e+00 a 0 H.7 HB2.6 269 4.038 7.634 1 T 5.422e+05 0.00e+00 a 0 HA.6 H.7 271 1.645 7.634 1 T 4.693e+05 0.00e+00 a 0 HB3.6 H.7 272 7.627 1.856 1 T 5.081e+05 0.00e+00 a 0 H.5 HB2.4 273 7.627 1.926 1 T 4.430e+05 0.00e+00 a 0 H.5 HB3.4 274 1.926 7.627 1 T 3.713e+05 0.00e+00 a 0 HB3.4 H.5 275 1.856 7.627 1 T 4.559e+05 0.00e+00 a 0 HB2.4 H.5 276 1.026 4.027 1 T 1.749e+06 0.00e+00 a 0 QD1.1 HA.1 277 4.027 1.590 1 T 8.583e+05 0.00e+00 a 0 HA.1 HB3.1 278 1.589 4.028 1 T 1.104e+06 0.00e+00 a 0 HB2.1 HA.1 279 7.682 1.524 1 T 1.648e+06 0.00e+00 a 0 H.8 QB.7 280 1.524 7.682 1 T 2.088e+06 0.00e+00 a 0 QB.7 H.8 281 8.178 4.131 1 T 3.895e+05 0.00e+00 a 0 H.9 HA.8 ; 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 . 'not observed' 15.00 ppm . . . 4.704 . . 31088 1 2 . . H 1 H . 'not observed' 15.00 ppm . . . 4.704 . . 31088 1 stop_ save_