######################### # 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 34705 _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 2 _Spectral_peak_list.Experiment_name '2D 1H-1H TOCSY' _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 1 8.442 8.442 0 U 0.000e+00 0.00e+00 - 0 5 5 0 # H/H N10 2 8.442 2.982 0 U 0.000e+00 0.00e+00 - 0 5 22 0 # H/HB3 N10 3 8.442 2.785 0 U 0.000e+00 0.00e+00 - 0 5 21 0 # H/HB2 N10 4 8.442 4.496 0 U 0.000e+00 0.00e+00 - 0 5 6 0 # H/HA N10 5 2.982 8.442 0 U 0.000e+00 0.00e+00 - 0 22 5 0 # HB3/H N10 6 2.982 2.982 0 U 0.000e+00 0.00e+00 - 0 22 22 0 # HB3/HB3 N10 7 2.982 2.785 0 U 0.000e+00 0.00e+00 - 0 22 21 0 # HB3/HB2 N10 8 2.982 4.496 0 U 0.000e+00 0.00e+00 - 0 22 6 0 # HB3/HA N10 9 1.041 1.041 0 U 0.000e+00 0.00e+00 - 0 75 75 0 # HG2/HG2 I8 10 1.041 1.335 0 U 0.000e+00 0.00e+00 - 0 75 37 0 # HG2/HG13 I8 11 1.041 1.022 0 U 0.000e+00 0.00e+00 - 0 75 56 0 # HG2/HD1 I8 12 1.041 3.926 0 U 0.000e+00 0.00e+00 - 0 75 20 0 # HG2/HA I8 13 1.041 1.962 0 U 0.000e+00 0.00e+00 - 0 75 36 0 # HG2/HG12 I8 14 1.041 7.896 0 U 0.000e+00 0.00e+00 - 0 75 19 0 # HG2/H I8 15 1.041 2.069 0 U 0.000e+00 0.00e+00 - 0 75 35 0 # HG2/HB I8 16 3.158 3.158 0 U 0.000e+00 0.00e+00 - 0 46 46 0 # HD/HD R3 17 3.158 4.182 0 U 0.000e+00 0.00e+00 - 0 46 4 0 # HD/HA R3 18 3.158 1.898 0 U 0.000e+00 0.00e+00 - 0 46 49 0 # HD/HB R3 19 3.158 8.810 0 U 0.000e+00 0.00e+00 - 0 46 3 0 # HD/H R3 20 3.158 1.630 0 U 0.000e+00 0.00e+00 - 0 46 48 0 # HD/HG2 R3 21 3.158 7.507 0 U 0.000e+00 0.00e+00 - 0 46 102 0 # HD/HE R3 22 3.158 1.517 0 U 0.000e+00 0.00e+00 - 0 46 47 0 # HD/HG3 R3 23 6.559 6.559 0 U 0.000e+00 0.00e+00 - 0 112 112 0 # HE/HE Y11 24 6.559 6.593 0 U 0.000e+00 0.00e+00 - 0 112 113 0 # HE/HD Y11 25 3.263 3.263 0 U 0.000e+00 0.00e+00 - 0 80 80 0 # HB3/HB3 W4 26 3.263 4.392 0 U 0.000e+00 0.00e+00 - 0 80 8 0 # HB3/HA W4 27 3.263 8.270 0 U 0.000e+00 0.00e+00 - 0 80 7 0 # HB3/H W4 28 3.263 3.399 0 U 0.000e+00 0.00e+00 - 0 80 42 0 # HB3/HB2 W4 29 8.239 8.239 0 U 0.000e+00 0.00e+00 - 0 9 9 0 # H/H F9 30 8.239 3.265 0 U 0.000e+00 0.00e+00 - 0 9 23 0 # H/HB F9 31 8.239 4.423 0 U 0.000e+00 0.00e+00 - 0 9 10 0 # H/HA F9 32 3.319 3.319 0 U 0.000e+00 0.00e+00 - 0 27 27 0 # HB2/HB2 F12 33 3.319 4.339 0 U 0.000e+00 0.00e+00 - 0 27 12 0 # HB2/HA F12 34 3.319 7.766 0 U 0.000e+00 0.00e+00 - 0 27 11 0 # HB2/H F12 35 3.319 2.911 0 U 0.000e+00 0.00e+00 - 0 27 28 0 # HB2/HB3 F12 36 1.062 1.062 0 U 0.000e+00 0.00e+00 - 0 52 52 0 # HG2/HG2 R5 37 1.062 1.394 0 U 0.000e+00 0.00e+00 - 0 52 60 0 # HG2/HB3 R5 38 1.062 3.693 0 U 0.000e+00 0.00e+00 - 0 52 45 0 # HG2/HA R5 39 1.062 3.018 0 U 0.000e+00 0.00e+00 - 0 52 104 0 # HG2/HD3 R5 40 1.062 7.603 0 U 0.000e+00 0.00e+00 - 0 52 44 0 # HG2/H R5 41 1.062 7.479 0 U 0.000e+00 0.00e+00 - 0 52 103 0 # HG2/HE R5 42 1.062 1.628 0 U 0.000e+00 0.00e+00 - 0 52 55 0 # HG2/HB2 R5 43 1.062 3.054 0 U 0.000e+00 0.00e+00 - 0 52 88 0 # HG2/HD2 R5 44 1.062 1.088 0 U 0.000e+00 0.00e+00 - 0 52 87 0 # HG2/HG3 R5 45 4.182 4.182 0 U 0.000e+00 0.00e+00 - 0 16 16 0 # HA/HA Y11 46 4.182 2.953 0 U 0.000e+00 0.00e+00 - 0 16 26 0 # HA/HB3 Y11 47 4.182 7.881 0 U 0.000e+00 0.00e+00 - 0 16 15 0 # HA/H Y11 48 4.182 2.766 0 U 0.000e+00 0.00e+00 - 0 16 24 0 # HA/HB2 Y11 49 1.659 1.659 0 U 0.000e+00 0.00e+00 - 0 68 68 0 # HB3/HB3 L7 50 1.659 4.173 0 U 0.000e+00 0.00e+00 - 0 68 14 0 # HB3/HA L7 51 1.659 1.843 0 U 0.000e+00 0.00e+00 - 0 68 74 0 # HB3/HG L7 52 1.659 1.994 0 U 0.000e+00 0.00e+00 - 0 68 65 0 # HB3/HB2 L7 53 1.659 7.901 0 U 0.000e+00 0.00e+00 - 0 68 13 0 # HB3/H L7 54 1.659 0.940 0 U 0.000e+00 0.00e+00 - 0 68 73 0 # HB3/HD2 L7 55 1.659 0.969 0 U 0.000e+00 0.00e+00 - 0 68 64 0 # HB3/HD1 L7 56 7.144 7.144 0 U 0.000e+00 0.00e+00 - 0 85 85 0 # HH2/HH2 W4 57 7.144 7.579 0 U 0.000e+00 0.00e+00 - 0 85 84 0 # HH2/HZ2 W4 58 7.144 7.402 0 U 0.000e+00 0.00e+00 - 0 85 82 0 # HH2/HE3 W4 59 7.144 6.950 0 U 0.000e+00 0.00e+00 - 0 85 86 0 # HH2/HZ3 W4 60 7.355 7.355 0 U 0.000e+00 0.00e+00 - 0 105 105 0 # HD/HD F9 61 7.355 7.310 0 U 0.000e+00 0.00e+00 - 0 105 106 0 # HD/HE F9 62 4.173 1.659 0 U 0.000e+00 0.00e+00 - 0 14 68 0 # HA/HB3 L7 63 4.173 4.173 0 U 0.000e+00 0.00e+00 - 0 14 14 0 # HA/HA L7 64 4.173 1.843 0 U 0.000e+00 0.00e+00 - 0 14 74 0 # HA/HG L7 65 4.173 1.994 0 U 0.000e+00 0.00e+00 - 0 14 65 0 # HA/HB2 L7 66 4.173 7.901 0 U 0.000e+00 0.00e+00 - 0 14 13 0 # HA/H L7 67 4.173 0.940 0 U 0.000e+00 0.00e+00 - 0 14 73 0 # HA/HD2 L7 68 4.173 0.969 0 U 0.000e+00 0.00e+00 - 0 14 64 0 # HA/HD1 L7 69 1.642 1.642 0 U 0.000e+00 0.00e+00 - 0 40 40 0 # HB3/HB3 K2 70 1.642 1.505 0 U 0.000e+00 0.00e+00 - 0 40 93 0 # HB3/HD3 K2 71 1.642 4.373 0 U 0.000e+00 0.00e+00 - 0 40 2 0 # HB3/HA K2 72 1.642 2.995 0 U 0.000e+00 0.00e+00 - 0 40 92 0 # HB3/HE K2 73 1.642 8.999 0 U 0.000e+00 0.00e+00 - 0 40 1 0 # HB3/H K2 74 1.642 1.464 0 U 0.000e+00 0.00e+00 - 0 40 90 0 # HB3/HG2 K2 75 1.642 1.413 0 U 0.000e+00 0.00e+00 - 0 40 89 0 # HB3/HG3 K2 76 1.642 1.730 0 U 0.000e+00 0.00e+00 - 0 40 41 0 # HB3/HB2 K2 77 1.642 1.557 0 U 0.000e+00 0.00e+00 - 0 40 165 0 # HB3/HD2 K2 78 1.394 1.062 0 U 0.000e+00 0.00e+00 - 0 60 52 0 # HB3/HG2 R5 79 1.394 1.394 0 U 0.000e+00 0.00e+00 - 0 60 60 0 # HB3/HB3 R5 80 1.394 3.693 0 U 0.000e+00 0.00e+00 - 0 60 45 0 # HB3/HA R5 81 1.394 3.018 0 U 0.000e+00 0.00e+00 - 0 60 104 0 # HB3/HD3 R5 82 1.394 7.603 0 U 0.000e+00 0.00e+00 - 0 60 44 0 # HB3/H R5 83 1.394 7.479 0 U 0.000e+00 0.00e+00 - 0 60 103 0 # HB3/HE R5 84 1.394 1.628 0 U 0.000e+00 0.00e+00 - 0 60 55 0 # HB3/HB2 R5 85 1.394 3.054 0 U 0.000e+00 0.00e+00 - 0 60 88 0 # HB3/HD2 R5 86 1.394 1.088 0 U 0.000e+00 0.00e+00 - 0 60 87 0 # HB3/HG3 R5 87 2.785 8.442 0 U 0.000e+00 0.00e+00 - 0 21 5 0 # HB2/H N10 88 2.785 2.982 0 U 0.000e+00 0.00e+00 - 0 21 22 0 # HB2/HB3 N10 89 2.785 2.785 0 U 0.000e+00 0.00e+00 - 0 21 21 0 # HB2/HB2 N10 90 2.785 4.496 0 U 0.000e+00 0.00e+00 - 0 21 6 0 # HB2/HA N10 91 1.843 1.659 0 U 0.000e+00 0.00e+00 - 0 74 68 0 # HG/HB3 L7 92 1.843 4.173 0 U 0.000e+00 0.00e+00 - 0 74 14 0 # HG/HA L7 93 1.843 1.843 0 U 0.000e+00 0.00e+00 - 0 74 74 0 # HG/HG L7 94 1.843 1.994 0 U 0.000e+00 0.00e+00 - 0 74 65 0 # HG/HB2 L7 95 1.843 7.901 0 U 0.000e+00 0.00e+00 - 0 74 13 0 # HG/H L7 96 1.843 0.940 0 U 0.000e+00 0.00e+00 - 0 74 73 0 # HG/HD2 L7 97 1.843 0.969 0 U 0.000e+00 0.00e+00 - 0 74 64 0 # HG/HD1 L7 98 3.693 1.062 0 U 0.000e+00 0.00e+00 - 0 45 52 0 # HA/HG2 R5 99 3.693 1.394 0 U 0.000e+00 0.00e+00 - 0 45 60 0 # HA/HB3 R5 100 3.693 3.693 0 U 0.000e+00 0.00e+00 - 0 45 45 0 # HA/HA R5 101 3.693 3.018 0 U 0.000e+00 0.00e+00 - 0 45 104 0 # HA/HD3 R5 102 3.693 7.603 0 U 0.000e+00 0.00e+00 - 0 45 44 0 # HA/H R5 103 3.693 7.479 0 U 0.000e+00 0.00e+00 - 0 45 103 0 # HA/HE R5 104 3.693 1.628 0 U 0.000e+00 0.00e+00 - 0 45 55 0 # HA/HB2 R5 105 3.693 3.054 0 U 0.000e+00 0.00e+00 - 0 45 88 0 # HA/HD2 R5 106 3.693 1.088 0 U 0.000e+00 0.00e+00 - 0 45 87 0 # HA/HG3 R5 107 1.994 1.659 0 U 0.000e+00 0.00e+00 - 0 65 68 0 # HB2/HB3 L7 108 1.994 4.173 0 U 0.000e+00 0.00e+00 - 0 65 14 0 # HB2/HA L7 109 1.994 1.843 0 U 0.000e+00 0.00e+00 - 0 65 74 0 # HB2/HG L7 110 1.994 1.994 0 U 0.000e+00 0.00e+00 - 0 65 65 0 # HB2/HB2 L7 111 1.994 7.901 0 U 0.000e+00 0.00e+00 - 0 65 13 0 # HB2/H L7 112 1.994 0.940 0 U 0.000e+00 0.00e+00 - 0 65 73 0 # HB2/HD2 L7 113 1.994 0.969 0 U 0.000e+00 0.00e+00 - 0 65 64 0 # HB2/HD1 L7 114 4.392 3.263 0 U 0.000e+00 0.00e+00 - 0 8 80 0 # HA/HB3 W4 115 4.392 4.392 0 U 0.000e+00 0.00e+00 - 0 8 8 0 # HA/HA W4 116 4.392 8.270 0 U 0.000e+00 0.00e+00 - 0 8 7 0 # HA/H W4 117 4.392 3.399 0 U 0.000e+00 0.00e+00 - 0 8 42 0 # HA/HB2 W4 118 2.953 4.182 0 U 0.000e+00 0.00e+00 - 0 26 16 0 # HB3/HA Y11 119 2.953 2.953 0 U 0.000e+00 0.00e+00 - 0 26 26 0 # HB3/HB3 Y11 120 2.953 7.881 0 U 0.000e+00 0.00e+00 - 0 26 15 0 # HB3/H Y11 121 2.953 2.766 0 U 0.000e+00 0.00e+00 - 0 26 24 0 # HB3/HB2 Y11 122 3.242 3.242 0 U 0.000e+00 0.00e+00 - 0 51 51 0 # HD/HD R6 123 3.242 1.882 0 U 0.000e+00 0.00e+00 - 0 51 63 0 # HD/HB3 R6 124 3.242 4.084 0 U 0.000e+00 0.00e+00 - 0 51 18 0 # HD/HA R6 125 3.242 1.946 0 U 0.000e+00 0.00e+00 - 0 51 62 0 # HD/HB2 R6 126 3.242 7.473 0 U 0.000e+00 0.00e+00 - 0 51 101 0 # HD/HE R6 127 3.242 7.535 0 U 0.000e+00 0.00e+00 - 0 51 17 0 # HD/H R6 128 3.242 1.689 0 U 0.000e+00 0.00e+00 - 0 51 61 0 # HD/HG R6 129 7.881 4.182 0 U 0.000e+00 0.00e+00 - 0 15 16 0 # H/HA Y11 130 7.881 2.953 0 U 0.000e+00 0.00e+00 - 0 15 26 0 # H/HB3 Y11 131 7.881 7.881 0 U 0.000e+00 0.00e+00 - 0 15 15 0 # H/H Y11 132 7.881 2.766 0 U 0.000e+00 0.00e+00 - 0 15 24 0 # H/HB2 Y11 133 7.579 7.144 0 U 0.000e+00 0.00e+00 - 0 84 85 0 # HZ2/HH2 W4 134 7.579 7.579 0 U 0.000e+00 0.00e+00 - 0 84 84 0 # HZ2/HZ2 W4 135 7.579 7.402 0 U 0.000e+00 0.00e+00 - 0 84 82 0 # HZ2/HE3 W4 136 7.579 6.950 0 U 0.000e+00 0.00e+00 - 0 84 86 0 # HZ2/HZ3 W4 137 3.018 1.062 0 U 0.000e+00 0.00e+00 - 0 104 52 0 # HD3/HG2 R5 138 3.018 1.394 0 U 0.000e+00 0.00e+00 - 0 104 60 0 # HD3/HB3 R5 139 3.018 3.693 0 U 0.000e+00 0.00e+00 - 0 104 45 0 # HD3/HA R5 140 3.018 3.018 0 U 0.000e+00 0.00e+00 - 0 104 104 0 # HD3/HD3 R5 141 3.018 7.603 0 U 0.000e+00 0.00e+00 - 0 104 44 0 # HD3/H R5 142 3.018 7.479 0 U 0.000e+00 0.00e+00 - 0 104 103 0 # HD3/HE R5 143 3.018 1.628 0 U 0.000e+00 0.00e+00 - 0 104 55 0 # HD3/HB2 R5 144 3.018 3.054 0 U 0.000e+00 0.00e+00 - 0 104 88 0 # HD3/HD2 R5 145 3.018 1.088 0 U 0.000e+00 0.00e+00 - 0 104 87 0 # HD3/HG3 R5 146 7.901 1.659 0 U 0.000e+00 0.00e+00 - 0 13 68 0 # H/HB3 L7 147 7.901 4.173 0 U 0.000e+00 0.00e+00 - 0 13 14 0 # H/HA L7 148 7.901 1.843 0 U 0.000e+00 0.00e+00 - 0 13 74 0 # H/HG L7 149 7.901 1.994 0 U 0.000e+00 0.00e+00 - 0 13 65 0 # H/HB2 L7 150 7.901 7.901 0 U 0.000e+00 0.00e+00 - 0 13 13 0 # H/H L7 151 7.901 0.940 0 U 0.000e+00 0.00e+00 - 0 13 73 0 # H/HD2 L7 152 7.901 0.969 0 U 0.000e+00 0.00e+00 - 0 13 64 0 # H/HD1 L7 153 1.335 1.041 0 U 0.000e+00 0.00e+00 - 0 37 75 0 # HG13/HG2 I8 154 1.335 1.335 0 U 0.000e+00 0.00e+00 - 0 37 37 0 # HG13/HG13 I8 155 1.335 1.022 0 U 0.000e+00 0.00e+00 - 0 37 56 0 # HG13/HD1 I8 156 1.335 3.926 0 U 0.000e+00 0.00e+00 - 0 37 20 0 # HG13/HA I8 157 1.335 1.962 0 U 0.000e+00 0.00e+00 - 0 37 36 0 # HG13/HG12 I8 158 1.335 7.896 0 U 0.000e+00 0.00e+00 - 0 37 19 0 # HG13/H I8 159 1.335 2.069 0 U 0.000e+00 0.00e+00 - 0 37 35 0 # HG13/HB I8 160 1.022 1.041 0 U 0.000e+00 0.00e+00 - 0 56 75 0 # HD1/HG2 I8 161 1.022 1.335 0 U 0.000e+00 0.00e+00 - 0 56 37 0 # HD1/HG13 I8 162 1.022 1.022 0 U 0.000e+00 0.00e+00 - 0 56 56 0 # HD1/HD1 I8 163 1.022 3.926 0 U 0.000e+00 0.00e+00 - 0 56 20 0 # HD1/HA I8 164 1.022 1.962 0 U 0.000e+00 0.00e+00 - 0 56 36 0 # HD1/HG12 I8 165 1.022 7.896 0 U 0.000e+00 0.00e+00 - 0 56 19 0 # HD1/H I8 166 1.022 2.069 0 U 0.000e+00 0.00e+00 - 0 56 35 0 # HD1/HB I8 167 4.182 3.158 0 U 0.000e+00 0.00e+00 - 0 4 46 0 # HA/HD R3 168 4.182 4.182 0 U 0.000e+00 0.00e+00 - 0 4 4 0 # HA/HA R3 169 4.182 1.898 0 U 0.000e+00 0.00e+00 - 0 4 49 0 # HA/HB R3 170 4.182 8.810 0 U 0.000e+00 0.00e+00 - 0 4 3 0 # HA/H R3 171 4.182 1.630 0 U 0.000e+00 0.00e+00 - 0 4 48 0 # HA/HG2 R3 172 4.182 7.507 0 U 0.000e+00 0.00e+00 - 0 4 102 0 # HA/HE R3 173 4.182 1.517 0 U 0.000e+00 0.00e+00 - 0 4 47 0 # HA/HG3 R3 174 3.926 1.041 0 U 0.000e+00 0.00e+00 - 0 20 75 0 # HA/HG2 I8 175 3.926 1.335 0 U 0.000e+00 0.00e+00 - 0 20 37 0 # HA/HG13 I8 176 3.926 1.022 0 U 0.000e+00 0.00e+00 - 0 20 56 0 # HA/HD1 I8 177 3.926 3.926 0 U 0.000e+00 0.00e+00 - 0 20 20 0 # HA/HA I8 178 3.926 1.962 0 U 0.000e+00 0.00e+00 - 0 20 36 0 # HA/HG12 I8 179 3.926 7.896 0 U 0.000e+00 0.00e+00 - 0 20 19 0 # HA/H I8 180 3.926 2.069 0 U 0.000e+00 0.00e+00 - 0 20 35 0 # HA/HB I8 181 0.940 1.659 0 U 0.000e+00 0.00e+00 - 0 73 68 0 # HD2/HB3 L7 182 0.940 4.173 0 U 0.000e+00 0.00e+00 - 0 73 14 0 # HD2/HA L7 183 0.940 1.843 0 U 0.000e+00 0.00e+00 - 0 73 74 0 # HD2/HG L7 184 0.940 1.994 0 U 0.000e+00 0.00e+00 - 0 73 65 0 # HD2/HB2 L7 185 0.940 7.901 0 U 0.000e+00 0.00e+00 - 0 73 13 0 # HD2/H L7 186 0.940 0.940 0 U 0.000e+00 0.00e+00 - 0 73 73 0 # HD2/HD2 L7 187 0.940 0.969 0 U 0.000e+00 0.00e+00 - 0 73 64 0 # HD2/HD1 L7 188 1.505 1.642 0 U 0.000e+00 0.00e+00 - 0 93 40 0 # HD3/HB3 K2 189 1.505 1.505 0 U 0.000e+00 0.00e+00 - 0 93 93 0 # HD3/HD3 K2 190 1.505 4.373 0 U 0.000e+00 0.00e+00 - 0 93 2 0 # HD3/HA K2 191 1.505 2.995 0 U 0.000e+00 0.00e+00 - 0 93 92 0 # HD3/HE K2 192 1.505 8.999 0 U 0.000e+00 0.00e+00 - 0 93 1 0 # HD3/H K2 193 1.505 1.464 0 U 0.000e+00 0.00e+00 - 0 93 90 0 # HD3/HG2 K2 194 1.505 1.413 0 U 0.000e+00 0.00e+00 - 0 93 89 0 # HD3/HG3 K2 195 1.505 1.730 0 U 0.000e+00 0.00e+00 - 0 93 41 0 # HD3/HB2 K2 196 1.505 1.557 0 U 0.000e+00 0.00e+00 - 0 93 165 0 # HD3/HD2 K2 197 7.603 1.062 0 U 0.000e+00 0.00e+00 - 0 44 52 0 # H/HG2 R5 198 7.603 1.394 0 U 0.000e+00 0.00e+00 - 0 44 60 0 # H/HB3 R5 199 7.603 3.693 0 U 0.000e+00 0.00e+00 - 0 44 45 0 # H/HA R5 200 7.603 3.018 0 U 0.000e+00 0.00e+00 - 0 44 104 0 # H/HD3 R5 201 7.603 7.603 0 U 0.000e+00 0.00e+00 - 0 44 44 0 # H/H R5 202 7.603 7.479 0 U 0.000e+00 0.00e+00 - 0 44 103 0 # H/HE R5 203 7.603 1.628 0 U 0.000e+00 0.00e+00 - 0 44 55 0 # H/HB2 R5 204 7.603 3.054 0 U 0.000e+00 0.00e+00 - 0 44 88 0 # H/HD2 R5 205 7.603 1.088 0 U 0.000e+00 0.00e+00 - 0 44 87 0 # H/HG3 R5 206 0.969 1.659 0 U 0.000e+00 0.00e+00 - 0 64 68 0 # HD1/HB3 L7 207 0.969 4.173 0 U 0.000e+00 0.00e+00 - 0 64 14 0 # HD1/HA L7 208 0.969 1.843 0 U 0.000e+00 0.00e+00 - 0 64 74 0 # HD1/HG L7 209 0.969 1.994 0 U 0.000e+00 0.00e+00 - 0 64 65 0 # HD1/HB2 L7 210 0.969 7.901 0 U 0.000e+00 0.00e+00 - 0 64 13 0 # HD1/H L7 211 0.969 0.940 0 U 0.000e+00 0.00e+00 - 0 64 73 0 # HD1/HD2 L7 212 0.969 0.969 0 U 0.000e+00 0.00e+00 - 0 64 64 0 # HD1/HD1 L7 213 7.086 7.086 0 U 0.000e+00 0.00e+00 - 0 126 126 0 # H2/H2 X13 214 7.086 7.253 0 U 0.000e+00 0.00e+00 - 0 126 125 0 # H2/H1 X13 215 7.186 7.186 0 U 0.000e+00 0.00e+00 - 0 78 78 0 # HZ/HZ F12 216 7.186 7.313 0 U 0.000e+00 0.00e+00 - 0 78 77 0 # HZ/HE F12 217 7.186 7.525 0 U 0.000e+00 0.00e+00 - 0 78 76 0 # HZ/HD F12 218 8.270 3.263 0 U 0.000e+00 0.00e+00 - 0 7 80 0 # H/HB3 W4 219 8.270 4.392 0 U 0.000e+00 0.00e+00 - 0 7 8 0 # H/HA W4 220 8.270 8.270 0 U 0.000e+00 0.00e+00 - 0 7 7 0 # H/H W4 221 8.270 3.399 0 U 0.000e+00 0.00e+00 - 0 7 42 0 # H/HB2 W4 222 2.766 4.182 0 U 0.000e+00 0.00e+00 - 0 24 16 0 # HB2/HA Y11 223 2.766 2.953 0 U 0.000e+00 0.00e+00 - 0 24 26 0 # HB2/HB3 Y11 224 2.766 7.881 0 U 0.000e+00 0.00e+00 - 0 24 15 0 # HB2/H Y11 225 2.766 2.766 0 U 0.000e+00 0.00e+00 - 0 24 24 0 # HB2/HB2 Y11 226 1.898 3.158 0 U 0.000e+00 0.00e+00 - 0 49 46 0 # HB/HD R3 227 1.898 4.182 0 U 0.000e+00 0.00e+00 - 0 49 4 0 # HB/HA R3 228 1.898 1.898 0 U 0.000e+00 0.00e+00 - 0 49 49 0 # HB/HB R3 229 1.898 8.810 0 U 0.000e+00 0.00e+00 - 0 49 3 0 # HB/H R3 230 1.898 1.630 0 U 0.000e+00 0.00e+00 - 0 49 48 0 # HB/HG2 R3 231 1.898 7.507 0 U 0.000e+00 0.00e+00 - 0 49 102 0 # HB/HE R3 232 1.898 1.517 0 U 0.000e+00 0.00e+00 - 0 49 47 0 # HB/HG3 R3 233 4.373 1.642 0 U 0.000e+00 0.00e+00 - 0 2 40 0 # HA/HB3 K2 234 4.373 1.505 0 U 0.000e+00 0.00e+00 - 0 2 93 0 # HA/HD3 K2 235 4.373 4.373 0 U 0.000e+00 0.00e+00 - 0 2 2 0 # HA/HA K2 236 4.373 2.995 0 U 0.000e+00 0.00e+00 - 0 2 92 0 # HA/HE K2 237 4.373 8.999 0 U 0.000e+00 0.00e+00 - 0 2 1 0 # HA/H K2 238 4.373 1.464 0 U 0.000e+00 0.00e+00 - 0 2 90 0 # HA/HG2 K2 239 4.373 1.413 0 U 0.000e+00 0.00e+00 - 0 2 89 0 # HA/HG3 K2 240 4.373 1.730 0 U 0.000e+00 0.00e+00 - 0 2 41 0 # HA/HB2 K2 241 4.373 1.557 0 U 0.000e+00 0.00e+00 - 0 2 165 0 # HA/HD2 K2 242 10.844 10.844 0 U 0.000e+00 0.00e+00 - 0 83 83 0 # HE1/HE1 W4 243 10.844 7.440 0 U 0.000e+00 0.00e+00 - 0 83 81 0 # HE1/HD1 W4 244 7.479 1.062 0 U 0.000e+00 0.00e+00 - 0 103 52 0 # HE/HG2 R5 245 7.479 1.394 0 U 0.000e+00 0.00e+00 - 0 103 60 0 # HE/HB3 R5 246 7.479 3.693 0 U 0.000e+00 0.00e+00 - 0 103 45 0 # HE/HA R5 247 7.479 3.018 0 U 0.000e+00 0.00e+00 - 0 103 104 0 # HE/HD3 R5 248 7.479 7.603 0 U 0.000e+00 0.00e+00 - 0 103 44 0 # HE/H R5 249 7.479 7.479 0 U 0.000e+00 0.00e+00 - 0 103 103 0 # HE/HE R5 250 7.479 1.628 0 U 0.000e+00 0.00e+00 - 0 103 55 0 # HE/HB2 R5 251 7.479 3.054 0 U 0.000e+00 0.00e+00 - 0 103 88 0 # HE/HD2 R5 252 7.479 1.088 0 U 0.000e+00 0.00e+00 - 0 103 87 0 # HE/HG3 R5 253 4.339 3.319 0 U 0.000e+00 0.00e+00 - 0 12 27 0 # HA/HB2 F12 254 4.339 4.339 0 U 0.000e+00 0.00e+00 - 0 12 12 0 # HA/HA F12 255 4.339 7.766 0 U 0.000e+00 0.00e+00 - 0 12 11 0 # HA/H F12 256 4.339 2.911 0 U 0.000e+00 0.00e+00 - 0 12 28 0 # HA/HB3 F12 257 1.962 1.041 0 U 0.000e+00 0.00e+00 - 0 36 75 0 # HG12/HG2 I8 258 1.962 1.335 0 U 0.000e+00 0.00e+00 - 0 36 37 0 # HG12/HG13 I8 259 1.962 1.022 0 U 0.000e+00 0.00e+00 - 0 36 56 0 # HG12/HD1 I8 260 1.962 3.926 0 U 0.000e+00 0.00e+00 - 0 36 20 0 # HG12/HA I8 261 1.962 1.962 0 U 0.000e+00 0.00e+00 - 0 36 36 0 # HG12/HG12 I8 262 1.962 7.896 0 U 0.000e+00 0.00e+00 - 0 36 19 0 # HG12/H I8 263 1.962 2.069 0 U 0.000e+00 0.00e+00 - 0 36 35 0 # HG12/HB I8 264 1.628 1.062 0 U 0.000e+00 0.00e+00 - 0 55 52 0 # HB2/HG2 R5 265 1.628 1.394 0 U 0.000e+00 0.00e+00 - 0 55 60 0 # HB2/HB3 R5 266 1.628 3.693 0 U 0.000e+00 0.00e+00 - 0 55 45 0 # HB2/HA R5 267 1.628 3.018 0 U 0.000e+00 0.00e+00 - 0 55 104 0 # HB2/HD3 R5 268 1.628 7.603 0 U 0.000e+00 0.00e+00 - 0 55 44 0 # HB2/H R5 269 1.628 7.479 0 U 0.000e+00 0.00e+00 - 0 55 103 0 # HB2/HE R5 270 1.628 1.628 0 U 0.000e+00 0.00e+00 - 0 55 55 0 # HB2/HB2 R5 271 1.628 3.054 0 U 0.000e+00 0.00e+00 - 0 55 88 0 # HB2/HD2 R5 272 1.628 1.088 0 U 0.000e+00 0.00e+00 - 0 55 87 0 # HB2/HG3 R5 273 8.810 3.158 0 U 0.000e+00 0.00e+00 - 0 3 46 0 # H/HD R3 274 8.810 4.182 0 U 0.000e+00 0.00e+00 - 0 3 4 0 # H/HA R3 275 8.810 1.898 0 U 0.000e+00 0.00e+00 - 0 3 49 0 # H/HB R3 276 8.810 8.810 0 U 0.000e+00 0.00e+00 - 0 3 3 0 # H/H R3 277 8.810 1.630 0 U 0.000e+00 0.00e+00 - 0 3 48 0 # H/HG2 R3 278 8.810 7.507 0 U 0.000e+00 0.00e+00 - 0 3 102 0 # H/HE R3 279 8.810 1.517 0 U 0.000e+00 0.00e+00 - 0 3 47 0 # H/HG3 R3 280 7.896 1.041 0 U 0.000e+00 0.00e+00 - 0 19 75 0 # H/HG2 I8 281 7.896 1.335 0 U 0.000e+00 0.00e+00 - 0 19 37 0 # H/HG13 I8 282 7.896 1.022 0 U 0.000e+00 0.00e+00 - 0 19 56 0 # H/HD1 I8 283 7.896 3.926 0 U 0.000e+00 0.00e+00 - 0 19 20 0 # H/HA I8 284 7.896 1.962 0 U 0.000e+00 0.00e+00 - 0 19 36 0 # H/HG12 I8 285 7.896 7.896 0 U 0.000e+00 0.00e+00 - 0 19 19 0 # H/H I8 286 7.896 2.069 0 U 0.000e+00 0.00e+00 - 0 19 35 0 # H/HB I8 287 2.269 2.269 0 U 0.000e+00 0.00e+00 - 0 72 72 0 # HG/HG E1 288 2.269 2.075 0 U 0.000e+00 0.00e+00 - 0 72 71 0 # HG/HB E1 289 2.269 4.073 0 U 0.000e+00 0.00e+00 - 0 72 69 0 # HG/HA E1 290 2.995 1.642 0 U 0.000e+00 0.00e+00 - 0 92 40 0 # HE/HB3 K2 291 2.995 1.505 0 U 0.000e+00 0.00e+00 - 0 92 93 0 # HE/HD3 K2 292 2.995 4.373 0 U 0.000e+00 0.00e+00 - 0 92 2 0 # HE/HA K2 293 2.995 2.995 0 U 0.000e+00 0.00e+00 - 0 92 92 0 # HE/HE K2 294 2.995 8.999 0 U 0.000e+00 0.00e+00 - 0 92 1 0 # HE/H K2 295 2.995 1.464 0 U 0.000e+00 0.00e+00 - 0 92 90 0 # HE/HG2 K2 296 2.995 1.413 0 U 0.000e+00 0.00e+00 - 0 92 89 0 # HE/HG3 K2 297 2.995 1.730 0 U 0.000e+00 0.00e+00 - 0 92 41 0 # HE/HB2 K2 298 2.995 1.557 0 U 0.000e+00 0.00e+00 - 0 92 165 0 # HE/HD2 K2 299 3.054 1.062 0 U 0.000e+00 0.00e+00 - 0 88 52 0 # HD2/HG2 R5 300 3.054 1.394 0 U 0.000e+00 0.00e+00 - 0 88 60 0 # HD2/HB3 R5 301 3.054 3.693 0 U 0.000e+00 0.00e+00 - 0 88 45 0 # HD2/HA R5 302 3.054 3.018 0 U 0.000e+00 0.00e+00 - 0 88 104 0 # HD2/HD3 R5 303 3.054 7.603 0 U 0.000e+00 0.00e+00 - 0 88 44 0 # HD2/H R5 304 3.054 7.479 0 U 0.000e+00 0.00e+00 - 0 88 103 0 # HD2/HE R5 305 3.054 1.628 0 U 0.000e+00 0.00e+00 - 0 88 55 0 # HD2/HB2 R5 306 3.054 3.054 0 U 0.000e+00 0.00e+00 - 0 88 88 0 # HD2/HD2 R5 307 3.054 1.088 0 U 0.000e+00 0.00e+00 - 0 88 87 0 # HD2/HG3 R5 308 6.882 6.882 0 U 0.000e+00 0.00e+00 - 0 108 108 0 # HD22/HD22 N10 309 6.882 7.528 0 U 0.000e+00 0.00e+00 - 0 108 107 0 # HD22/HD21 N10 310 1.882 3.242 0 U 0.000e+00 0.00e+00 - 0 63 51 0 # HB3/HD R6 311 1.882 1.882 0 U 0.000e+00 0.00e+00 - 0 63 63 0 # HB3/HB3 R6 312 1.882 4.084 0 U 0.000e+00 0.00e+00 - 0 63 18 0 # HB3/HA R6 313 1.882 1.946 0 U 0.000e+00 0.00e+00 - 0 63 62 0 # HB3/HB2 R6 314 1.882 7.473 0 U 0.000e+00 0.00e+00 - 0 63 101 0 # HB3/HE R6 315 1.882 7.535 0 U 0.000e+00 0.00e+00 - 0 63 17 0 # HB3/H R6 316 1.882 1.689 0 U 0.000e+00 0.00e+00 - 0 63 61 0 # HB3/HG R6 317 7.253 7.086 0 U 0.000e+00 0.00e+00 - 0 125 126 0 # H1/H2 X13 318 7.253 7.253 0 U 0.000e+00 0.00e+00 - 0 125 125 0 # H1/H1 X13 319 7.313 7.186 0 U 0.000e+00 0.00e+00 - 0 77 78 0 # HE/HZ F12 320 7.313 7.313 0 U 0.000e+00 0.00e+00 - 0 77 77 0 # HE/HE F12 321 7.313 7.525 0 U 0.000e+00 0.00e+00 - 0 77 76 0 # HE/HD F12 322 3.265 8.239 0 U 0.000e+00 0.00e+00 - 0 23 9 0 # HB/H F9 323 3.265 3.265 0 U 0.000e+00 0.00e+00 - 0 23 23 0 # HB/HB F9 324 3.265 4.423 0 U 0.000e+00 0.00e+00 - 0 23 10 0 # HB/HA F9 325 1.630 3.158 0 U 0.000e+00 0.00e+00 - 0 48 46 0 # HG2/HD R3 326 1.630 4.182 0 U 0.000e+00 0.00e+00 - 0 48 4 0 # HG2/HA R3 327 1.630 1.898 0 U 0.000e+00 0.00e+00 - 0 48 49 0 # HG2/HB R3 328 1.630 8.810 0 U 0.000e+00 0.00e+00 - 0 48 3 0 # HG2/H R3 329 1.630 1.630 0 U 0.000e+00 0.00e+00 - 0 48 48 0 # HG2/HG2 R3 330 1.630 7.507 0 U 0.000e+00 0.00e+00 - 0 48 102 0 # HG2/HE R3 331 1.630 1.517 0 U 0.000e+00 0.00e+00 - 0 48 47 0 # HG2/HG3 R3 332 7.402 7.144 0 U 0.000e+00 0.00e+00 - 0 82 85 0 # HE3/HH2 W4 333 7.402 7.579 0 U 0.000e+00 0.00e+00 - 0 82 84 0 # HE3/HZ2 W4 334 7.402 7.402 0 U 0.000e+00 0.00e+00 - 0 82 82 0 # HE3/HE3 W4 335 7.402 6.950 0 U 0.000e+00 0.00e+00 - 0 82 86 0 # HE3/HZ3 W4 336 7.507 3.158 0 U 0.000e+00 0.00e+00 - 0 102 46 0 # HE/HD R3 337 7.507 4.182 0 U 0.000e+00 0.00e+00 - 0 102 4 0 # HE/HA R3 338 7.507 1.898 0 U 0.000e+00 0.00e+00 - 0 102 49 0 # HE/HB R3 339 7.507 8.810 0 U 0.000e+00 0.00e+00 - 0 102 3 0 # HE/H R3 340 7.507 1.630 0 U 0.000e+00 0.00e+00 - 0 102 48 0 # HE/HG2 R3 341 7.507 7.507 0 U 0.000e+00 0.00e+00 - 0 102 102 0 # HE/HE R3 342 7.507 1.517 0 U 0.000e+00 0.00e+00 - 0 102 47 0 # HE/HG3 R3 343 7.766 3.319 0 U 0.000e+00 0.00e+00 - 0 11 27 0 # H/HB2 F12 344 7.766 4.339 0 U 0.000e+00 0.00e+00 - 0 11 12 0 # H/HA F12 345 7.766 7.766 0 U 0.000e+00 0.00e+00 - 0 11 11 0 # H/H F12 346 7.766 2.911 0 U 0.000e+00 0.00e+00 - 0 11 28 0 # H/HB3 F12 347 2.069 1.041 0 U 0.000e+00 0.00e+00 - 0 35 75 0 # HB/HG2 I8 348 2.069 1.335 0 U 0.000e+00 0.00e+00 - 0 35 37 0 # HB/HG13 I8 349 2.069 1.022 0 U 0.000e+00 0.00e+00 - 0 35 56 0 # HB/HD1 I8 350 2.069 3.926 0 U 0.000e+00 0.00e+00 - 0 35 20 0 # HB/HA I8 351 2.069 1.962 0 U 0.000e+00 0.00e+00 - 0 35 36 0 # HB/HG12 I8 352 2.069 7.896 0 U 0.000e+00 0.00e+00 - 0 35 19 0 # HB/H I8 353 2.069 2.069 0 U 0.000e+00 0.00e+00 - 0 35 35 0 # HB/HB I8 354 4.084 3.242 0 U 0.000e+00 0.00e+00 - 0 18 51 0 # HA/HD R6 355 4.084 1.882 0 U 0.000e+00 0.00e+00 - 0 18 63 0 # HA/HB3 R6 356 4.084 4.084 0 U 0.000e+00 0.00e+00 - 0 18 18 0 # HA/HA R6 357 4.084 1.946 0 U 0.000e+00 0.00e+00 - 0 18 62 0 # HA/HB2 R6 358 4.084 7.473 0 U 0.000e+00 0.00e+00 - 0 18 101 0 # HA/HE R6 359 4.084 7.535 0 U 0.000e+00 0.00e+00 - 0 18 17 0 # HA/H R6 360 4.084 1.689 0 U 0.000e+00 0.00e+00 - 0 18 61 0 # HA/HG R6 361 8.999 1.642 0 U 0.000e+00 0.00e+00 - 0 1 40 0 # H/HB3 K2 362 8.999 1.505 0 U 0.000e+00 0.00e+00 - 0 1 93 0 # H/HD3 K2 363 8.999 4.373 0 U 0.000e+00 0.00e+00 - 0 1 2 0 # H/HA K2 364 8.999 2.995 0 U 0.000e+00 0.00e+00 - 0 1 92 0 # H/HE K2 365 8.999 8.999 0 U 0.000e+00 0.00e+00 - 0 1 1 0 # H/H K2 366 8.999 1.464 0 U 0.000e+00 0.00e+00 - 0 1 90 0 # H/HG2 K2 367 8.999 1.413 0 U 0.000e+00 0.00e+00 - 0 1 89 0 # H/HG3 K2 368 8.999 1.730 0 U 0.000e+00 0.00e+00 - 0 1 41 0 # H/HB2 K2 369 8.999 1.557 0 U 0.000e+00 0.00e+00 - 0 1 165 0 # H/HD2 K2 370 2.075 2.269 0 U 0.000e+00 0.00e+00 - 0 71 72 0 # HB/HG E1 371 2.075 2.075 0 U 0.000e+00 0.00e+00 - 0 71 71 0 # HB/HB E1 372 2.075 4.073 0 U 0.000e+00 0.00e+00 - 0 71 69 0 # HB/HA E1 373 1.464 1.642 0 U 0.000e+00 0.00e+00 - 0 90 40 0 # HG2/HB3 K2 374 1.464 1.505 0 U 0.000e+00 0.00e+00 - 0 90 93 0 # HG2/HD3 K2 375 1.464 4.373 0 U 0.000e+00 0.00e+00 - 0 90 2 0 # HG2/HA K2 376 1.464 2.995 0 U 0.000e+00 0.00e+00 - 0 90 92 0 # HG2/HE K2 377 1.464 8.999 0 U 0.000e+00 0.00e+00 - 0 90 1 0 # HG2/H K2 378 1.464 1.464 0 U 0.000e+00 0.00e+00 - 0 90 90 0 # HG2/HG2 K2 379 1.464 1.413 0 U 0.000e+00 0.00e+00 - 0 90 89 0 # HG2/HG3 K2 380 1.464 1.730 0 U 0.000e+00 0.00e+00 - 0 90 41 0 # HG2/HB2 K2 381 1.464 1.557 0 U 0.000e+00 0.00e+00 - 0 90 165 0 # HG2/HD2 K2 382 1.088 1.062 0 U 0.000e+00 0.00e+00 - 0 87 52 0 # HG3/HG2 R5 383 1.088 1.394 0 U 0.000e+00 0.00e+00 - 0 87 60 0 # HG3/HB3 R5 384 1.088 3.693 0 U 0.000e+00 0.00e+00 - 0 87 45 0 # HG3/HA R5 385 1.088 3.018 0 U 0.000e+00 0.00e+00 - 0 87 104 0 # HG3/HD3 R5 386 1.088 7.603 0 U 0.000e+00 0.00e+00 - 0 87 44 0 # HG3/H R5 387 1.088 7.479 0 U 0.000e+00 0.00e+00 - 0 87 103 0 # HG3/HE R5 388 1.088 1.628 0 U 0.000e+00 0.00e+00 - 0 87 55 0 # HG3/HB2 R5 389 1.088 3.054 0 U 0.000e+00 0.00e+00 - 0 87 88 0 # HG3/HD2 R5 390 1.088 1.088 0 U 0.000e+00 0.00e+00 - 0 87 87 0 # HG3/HG3 R5 391 7.528 6.882 0 U 0.000e+00 0.00e+00 - 0 107 108 0 # HD21/HD22 N10 392 7.528 7.528 0 U 0.000e+00 0.00e+00 - 0 107 107 0 # HD21/HD21 N10 393 3.399 3.263 0 U 0.000e+00 0.00e+00 - 0 42 80 0 # HB2/HB3 W4 394 3.399 4.392 0 U 0.000e+00 0.00e+00 - 0 42 8 0 # HB2/HA W4 395 3.399 8.270 0 U 0.000e+00 0.00e+00 - 0 42 7 0 # HB2/H W4 396 3.399 3.399 0 U 0.000e+00 0.00e+00 - 0 42 42 0 # HB2/HB2 W4 397 1.946 3.242 0 U 0.000e+00 0.00e+00 - 0 62 51 0 # HB2/HD R6 398 1.946 1.882 0 U 0.000e+00 0.00e+00 - 0 62 63 0 # HB2/HB3 R6 399 1.946 4.084 0 U 0.000e+00 0.00e+00 - 0 62 18 0 # HB2/HA R6 400 1.946 1.946 0 U 0.000e+00 0.00e+00 - 0 62 62 0 # HB2/HB2 R6 401 1.946 7.473 0 U 0.000e+00 0.00e+00 - 0 62 101 0 # HB2/HE R6 402 1.946 7.535 0 U 0.000e+00 0.00e+00 - 0 62 17 0 # HB2/H R6 403 1.946 1.689 0 U 0.000e+00 0.00e+00 - 0 62 61 0 # HB2/HG R6 404 4.496 8.442 0 U 0.000e+00 0.00e+00 - 0 6 5 0 # HA/H N10 405 4.496 2.982 0 U 0.000e+00 0.00e+00 - 0 6 22 0 # HA/HB3 N10 406 4.496 2.785 0 U 0.000e+00 0.00e+00 - 0 6 21 0 # HA/HB2 N10 407 4.496 4.496 0 U 0.000e+00 0.00e+00 - 0 6 6 0 # HA/HA N10 408 7.525 7.186 0 U 0.000e+00 0.00e+00 - 0 76 78 0 # HD/HZ F12 409 7.525 7.313 0 U 0.000e+00 0.00e+00 - 0 76 77 0 # HD/HE F12 410 7.525 7.525 0 U 0.000e+00 0.00e+00 - 0 76 76 0 # HD/HD F12 411 1.517 3.158 0 U 0.000e+00 0.00e+00 - 0 47 46 0 # HG3/HD R3 412 1.517 4.182 0 U 0.000e+00 0.00e+00 - 0 47 4 0 # HG3/HA R3 413 1.517 1.898 0 U 0.000e+00 0.00e+00 - 0 47 49 0 # HG3/HB R3 414 1.517 8.810 0 U 0.000e+00 0.00e+00 - 0 47 3 0 # HG3/H R3 415 1.517 1.630 0 U 0.000e+00 0.00e+00 - 0 47 48 0 # HG3/HG2 R3 416 1.517 7.507 0 U 0.000e+00 0.00e+00 - 0 47 102 0 # HG3/HE R3 417 1.517 1.517 0 U 0.000e+00 0.00e+00 - 0 47 47 0 # HG3/HG3 R3 418 6.593 6.559 0 U 0.000e+00 0.00e+00 - 0 113 112 0 # HD/HE Y11 419 6.593 6.593 0 U 0.000e+00 0.00e+00 - 0 113 113 0 # HD/HD Y11 420 7.440 10.844 0 U 0.000e+00 0.00e+00 - 0 81 83 0 # HD1/HE1 W4 421 7.440 7.440 0 U 0.000e+00 0.00e+00 - 0 81 81 0 # HD1/HD1 W4 422 7.473 3.242 0 U 0.000e+00 0.00e+00 - 0 101 51 0 # HE/HD R6 423 7.473 1.882 0 U 0.000e+00 0.00e+00 - 0 101 63 0 # HE/HB3 R6 424 7.473 4.084 0 U 0.000e+00 0.00e+00 - 0 101 18 0 # HE/HA R6 425 7.473 1.946 0 U 0.000e+00 0.00e+00 - 0 101 62 0 # HE/HB2 R6 426 7.473 7.473 0 U 0.000e+00 0.00e+00 - 0 101 101 0 # HE/HE R6 427 7.473 7.535 0 U 0.000e+00 0.00e+00 - 0 101 17 0 # HE/H R6 428 7.473 1.689 0 U 0.000e+00 0.00e+00 - 0 101 61 0 # HE/HG R6 429 4.423 8.239 0 U 0.000e+00 0.00e+00 - 0 10 9 0 # HA/H F9 430 4.423 3.265 0 U 0.000e+00 0.00e+00 - 0 10 23 0 # HA/HB F9 431 4.423 4.423 0 U 0.000e+00 0.00e+00 - 0 10 10 0 # HA/HA F9 432 2.911 3.319 0 U 0.000e+00 0.00e+00 - 0 28 27 0 # HB3/HB2 F12 433 2.911 4.339 0 U 0.000e+00 0.00e+00 - 0 28 12 0 # HB3/HA F12 434 2.911 7.766 0 U 0.000e+00 0.00e+00 - 0 28 11 0 # HB3/H F12 435 2.911 2.911 0 U 0.000e+00 0.00e+00 - 0 28 28 0 # HB3/HB3 F12 436 7.535 3.242 0 U 0.000e+00 0.00e+00 - 0 17 51 0 # H/HD R6 437 7.535 1.882 0 U 0.000e+00 0.00e+00 - 0 17 63 0 # H/HB3 R6 438 7.535 4.084 0 U 0.000e+00 0.00e+00 - 0 17 18 0 # H/HA R6 439 7.535 1.946 0 U 0.000e+00 0.00e+00 - 0 17 62 0 # H/HB2 R6 440 7.535 7.473 0 U 0.000e+00 0.00e+00 - 0 17 101 0 # H/HE R6 441 7.535 7.535 0 U 0.000e+00 0.00e+00 - 0 17 17 0 # H/H R6 442 7.535 1.689 0 U 0.000e+00 0.00e+00 - 0 17 61 0 # H/HG R6 443 4.073 2.269 0 U 0.000e+00 0.00e+00 - 0 69 72 0 # HA/HG E1 444 4.073 2.075 0 U 0.000e+00 0.00e+00 - 0 69 71 0 # HA/HB E1 445 4.073 4.073 0 U 0.000e+00 0.00e+00 - 0 69 69 0 # HA/HA E1 446 1.413 1.642 0 U 0.000e+00 0.00e+00 - 0 89 40 0 # HG3/HB3 K2 447 1.413 1.505 0 U 0.000e+00 0.00e+00 - 0 89 93 0 # HG3/HD3 K2 448 1.413 4.373 0 U 0.000e+00 0.00e+00 - 0 89 2 0 # HG3/HA K2 449 1.413 2.995 0 U 0.000e+00 0.00e+00 - 0 89 92 0 # HG3/HE K2 450 1.413 8.999 0 U 0.000e+00 0.00e+00 - 0 89 1 0 # HG3/H K2 451 1.413 1.464 0 U 0.000e+00 0.00e+00 - 0 89 90 0 # HG3/HG2 K2 452 1.413 1.413 0 U 0.000e+00 0.00e+00 - 0 89 89 0 # HG3/HG3 K2 453 1.413 1.730 0 U 0.000e+00 0.00e+00 - 0 89 41 0 # HG3/HB2 K2 454 1.413 1.557 0 U 0.000e+00 0.00e+00 - 0 89 165 0 # HG3/HD2 K2 455 6.950 7.144 0 U 0.000e+00 0.00e+00 - 0 86 85 0 # HZ3/HH2 W4 456 6.950 7.579 0 U 0.000e+00 0.00e+00 - 0 86 84 0 # HZ3/HZ2 W4 457 6.950 7.402 0 U 0.000e+00 0.00e+00 - 0 86 82 0 # HZ3/HE3 W4 458 6.950 6.950 0 U 0.000e+00 0.00e+00 - 0 86 86 0 # HZ3/HZ3 W4 459 7.310 7.355 0 U 0.000e+00 0.00e+00 - 0 106 105 0 # HE/HD F9 460 7.310 7.310 0 U 0.000e+00 0.00e+00 - 0 106 106 0 # HE/HE F9 461 1.730 1.642 0 U 0.000e+00 0.00e+00 - 0 41 40 0 # HB2/HB3 K2 462 1.730 1.505 0 U 0.000e+00 0.00e+00 - 0 41 93 0 # HB2/HD3 K2 463 1.730 4.373 0 U 0.000e+00 0.00e+00 - 0 41 2 0 # HB2/HA K2 464 1.730 2.995 0 U 0.000e+00 0.00e+00 - 0 41 92 0 # HB2/HE K2 465 1.730 8.999 0 U 0.000e+00 0.00e+00 - 0 41 1 0 # HB2/H K2 466 1.730 1.464 0 U 0.000e+00 0.00e+00 - 0 41 90 0 # HB2/HG2 K2 467 1.730 1.413 0 U 0.000e+00 0.00e+00 - 0 41 89 0 # HB2/HG3 K2 468 1.730 1.730 0 U 0.000e+00 0.00e+00 - 0 41 41 0 # HB2/HB2 K2 469 1.730 1.557 0 U 0.000e+00 0.00e+00 - 0 41 165 0 # HB2/HD2 K2 470 1.689 3.242 0 U 0.000e+00 0.00e+00 - 0 61 51 0 # HG/HD R6 471 1.689 1.882 0 U 0.000e+00 0.00e+00 - 0 61 63 0 # HG/HB3 R6 472 1.689 4.084 0 U 0.000e+00 0.00e+00 - 0 61 18 0 # HG/HA R6 473 1.689 1.946 0 U 0.000e+00 0.00e+00 - 0 61 62 0 # HG/HB2 R6 474 1.689 7.473 0 U 0.000e+00 0.00e+00 - 0 61 101 0 # HG/HE R6 475 1.689 7.535 0 U 0.000e+00 0.00e+00 - 0 61 17 0 # HG/H R6 476 1.689 1.689 0 U 0.000e+00 0.00e+00 - 0 61 61 0 # HG/HG R6 477 1.557 1.642 0 U 0.000e+00 0.00e+00 - 0 165 40 0 # HD2/HB3 K2 478 1.557 1.505 0 U 0.000e+00 0.00e+00 - 0 165 93 0 # HD2/HD3 K2 479 1.557 4.373 0 U 0.000e+00 0.00e+00 - 0 165 2 0 # HD2/HA K2 480 1.557 2.995 0 U 0.000e+00 0.00e+00 - 0 165 92 0 # HD2/HE K2 481 1.557 8.999 0 U 0.000e+00 0.00e+00 - 0 165 1 0 # HD2/H K2 482 1.557 1.464 0 U 0.000e+00 0.00e+00 - 0 165 90 0 # HD2/HG2 K2 483 1.557 1.413 0 U 0.000e+00 0.00e+00 - 0 165 89 0 # HD2/HG3 K2 484 1.557 1.730 0 U 0.000e+00 0.00e+00 - 0 165 41 0 # HD2/HB2 K2 485 1.557 1.557 0 U 0.000e+00 0.00e+00 - 0 165 165 0 # HD2/HD2 K2 ; 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' 12 ppm . . . 4.7 . . 34705 1 2 . . H 1 H . 'not observed' 10.6 ppm . . . 4.7 . . 34705 1 stop_ save_