######################### # 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 30948 _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 3 _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 ; A combined overlay of 1H-1H 2D COSY, TOCSY, and ROESY experiments were used to assign the proton chemical shifts. Peaks were picked within the TOCSY spectrum as peak height maxima allowed for the most precise measurement of shifts between the experiments employed. Peaks denoted (ROE) in the list were found in the 2D 1H-1H ROESY spectrum. ; _Spectral_peak_list.Text_data_format text _Spectral_peak_list.Text_data ; Notes on peak picking and annotation: 1) Chemical shifts were calculated only from non-ROE peaks, using TOCSY maxima and in cases of overlap, the centerpoint of a phase-sensitve COSY crosspeak 2) Diastereotopic protons and methyl groups were annotate such that the more upfield of the pair was labeled 1 and the more downfield labeled 2. If superimposed and not resolvable in the f2 dimension, then the group was labeled 12. e.g. For leucine methyl groups, resolved: HD1 and HD2. For leucine beta protons, not resolved - HB12. 3) Peaks that were solely chosen from the ROESY spectrum are indicated with (ROE) in parentheses. No ROE peaks that also included a TOCSY peak were used to generate the NMR ensemble or any of the associated restraints. f2 (ppm) f1 (ppm) Annotation 1 0.81 8.06 Leu(10)HD1-HN 2 0.81 4.27 Leu(10)HD1-HA 3 0.81 6.81 Leu(10)HD12-Tyr(9)35 (ROE) 4 0.81 7.08 Leu(10)HD12-Tyr(9)26 (ROE) 5 0.83 8.06 Leu(10)HD2-HN 6 0.85 4.26 Leu(10)HD2-HN 7 0.85 8.14 Leu(4)HD1-HN 8 0.85 4.37 Leu(11)HD1-HA 9 0.86 7.09 Leu(11)HD12-Tyr(9)26 (ROE) 10 0.86 7.95 Leu(11)HD1-HN 11 0.86 6.81 Leu(11)HD12-Tyr(9)35 (ROE) 12 0.87 4.13 Leu(4)HD1-HA 13 0.88 7.22 Leu(4)HD12-Trp(2)H2/ H6 (ROE) 14 0.91 4.38 Leu(11)HD2-HA 15 0.91 8.14 Leu(4)HD2-HN 16 0.91 8.36 Leu(4)HD12-Asn(5)HN (ROE) 17 0.92 4.13 Leu(4)HD2-HA 18 0.92 7.94 Leu(11)HD2-HN 19 0.95 4.12 Val(16)HG12-HA 20 0.95 8.21 Val(16)HG12-HN 21 0.95 2.08 Val(16)HG12-HB 22 0.96 8.49 Val(16)HG12-Gly(17)HN (ROE) 23 1.09 8.36 Thr(3)HG-Asn(5)HN (ROE) 24 1.09 4.24 Thr(3)HG-HA 25 1.10 8.01 Thr(3)HG-HN 26 1.10 8.15 Thr(3)HG-Leu(4)HN (ROE) 27 1.10 4.07 Thr(3)HG-HB 28 1.36 4.32 Ala(15)HB-HA 29 1.37 8.21 Ala(15)HB-HN 30 1.37 4.28 Ala(7)HB-HA 31 1.37 8.27 Ala(7)HB-HN 32 1.38 7.08 Ala(7)HB-Tyr(9)26 (ROE) 33 1.38 6.81 Ala(7)HB-Tyr(9)35 (ROE) 34 1.42 2.99 Lys(18)HG12-HE12 35 1.44 1.76 Lys(18)HG12-HB1 36 1.44 4.26 Leu(10)HB12/ HG-HA 37 1.44 1.87 Lys(18)HG12-HB2 38 1.45 1.65 Lys(18)HG12-HD12 39 1.45 4.29 Lys(18)HG12-HA 40 1.45 8.07 Leu(10)HB12/ HG-HN 41 1.46 8.22 Lys(18)HG12-HN 42 1.51 8.07 Leu(10)HB12/ HG-HN 43 1.53 4.27 Leu(10)HB12/ HG-HA 44 1.54 4.13 Leu(4)HB12/ HG-HA 45 1.55 7.21 Leu(4)HB12/ HG-Trp(2)H2/ H6 (ROE) 46 1.55 8.15 Leu(4)HB12/ HB-HN 47 1.55 8.37 Leu(4)HB12/ HG-Asn(5)HN (ROE) 48 1.60 4.29 Lys(18)HD12-HA 49 1.62 7.96 Leu(11)HB12/ HG-HN 50 1.66 8.23 Lys(18)HD12-HN 51 1.66 1.43 Lys(18)HD12-HG12 52 1.66 2.96 Lys(18)HD12-HE12 53 1.67 1.76 Lys(18)HD12-HB1 54 1.67 1.86 Lys(18)HD12-HB2 55 1.74 1.67 Lys(18)HB1-HD12 56 1.74 1.42 Lys(18)HB1-HG12 57 1.74 8.24 Lys(18)HB1-HN 58 1.74 4.29 Lys(18)HB1-HA 59 1.74 2.96 Lys(18)HB1-HE12 60 1.79 2.17 Pro(13)HB1-HB2 61 1.79 4.36 Pro(13)HB1-HA 62 1.80 3.57 Pro(13)HB1-HD12 63 1.80 1.97 Pro(13)HB1-HG2 64 1.81 8.55 Pro(13)HB1-His(14)HN (ROE) 65 1.84 2.98 Lys(18)HB2-HD12 66 1.85 4.29 Lys(18)HB2-HA 67 1.85 8.24 Lys(18)HB2-HN 68 1.85 1.44 Lys(18)HB2-HG12 69 1.85 1.68 Lys(18)HB2-HD12 70 1.87 8.54 Pro(13)HG1-His(14)HN (ROE) 71 1.89 4.36 Pro(13)HG1-HA 72 1.89 2.21 Pro(13)HG1-HB2 73 1.90 3.56 Pro(13)HG1-HD12 74 1.95 2.18 Pro(13)HG2-HB2 75 1.97 3.57 Pro(13)HG2-HD12 76 1.97 1.77 Pro(13)HG2-HB1 77 1.98 4.36 Pro(13)HG2-HA 78 2.07 4.12 Val(16)HB-HA 79 2.07 8.21 Val(16)HB-HN 80 2.08 8.49 Val(16)HB-Gly(17)HN (ROE) 81 2.08 0.96 Val(16)HB-HG12 82 2.20 3.58 Pro(13)HB2-HD12 83 2.21 1.77 Pro(13)HB2-HB1 84 2.22 1.97 Pro(13)HB2-HG2 85 2.22 4.37 Pro(13)HB2-HA 86 2.79 4.68 Asn(5)HB1-HA 87 2.79 8.21 Asn(5)HB1-Ser(6)HN (ROE) 88 2.79 6.88 Asn(5)HB1-NH1 (ROE) 89 2.79 8.37 Asn(5)HB1-HN 90 2.79 7.56 Asn(5)HB1-NH2 (ROE) 91 2.81 8.28 Asn(5)HB12-Ala(7)HN (ROE) 92 2.81 4.68 Asn(5)HB2-HA 93 2.82 6.88 Asn(5)HB2-NH1 (ROE) 94 2.82 7.57 Asn(5)HB2-NH2 (ROE) 95 2.82 8.37 Asn(5)HB2-HN 96 2.82 8.21 Asn(5)HB2-Ser(6)HN (ROE) 97 2.95 7.89 Tyr(9)HB1-HN 98 2.96 4.50 Tyr(9)HB1-HA 99 2.96 8.07 Tyr(9)HB1-Leu(10)HN (ROE) 100 2.97 7.09 Tyr(9)HB1-H26 (ROE) 101 2.97 1.66 Lys(18)HE12-HD12 102 2.98 7.65 Lys(18)HE12-CtermNH2 (ROE) 103 2.98 1.43 Lys(18)HE12-HG12 104 2.98 4.30 Lys(18)HE12-HA 105 2.98 8.24 Lys(18)HE12-HB12 106 2.98 1.75 Lys(!8)HE12-HB1 107 2.98 1.87 Lys(18)HE12-HB2 108 3.01 4.51 Tyr(9)HB2-HA 109 3.02 8.07 Tyr(9)HB2-Leu(10)HN (ROE) 110 3.02 7.87 Tyr(9)HB2-HN 111 3.02 7.07 Tyr(9)HB2-H26 (ROE) 112 3.13 8.54 His(14)HB1-HN 113 3.14 7.28 His(14)HB12-HD2 114 3.15 4.68 His(14)HB12-HA 115 3.15 8.22 His(14)HB12-Ala(15)HN (ROE) 116 3.15 8.54 His(14)HB2-HN 117 3.22 8.55 Trp(2)HB1-HN 118 3.22 4.71 Trp(2)HB1-HA 119 3.22 7.60 Trp(2)HB1-H4 (ROE) 120 3.22 7.24 Trp(2)HB1-H2 (ROE) 121 3.23 8.02 Trp(2)HB1-Thr(3)HN (ROE) 122 3.27 8.21 Trp(2)HB2-AmbiguousHN (ROE) 123 3.27 4.73 Trp(2)HB2-HA 124 3.28 7.60 Trp(2)HB2-H4 (ROE) 125 3.28 7.24 Trp(2)HB2-H2 (ROE) 126 3.28 8.51 Trp(2)HB2-HN 127 3.28 8.02 Trp(2)HB2-Thr(3)HN (ROE) 128 3.58 1.80 Pro(13)HD12-HB1 129 3.58 1.96 Pro(13)HD12-HG2 130 3.58 2.21 Pro(13)HD12-HB2 131 3.58 4.05 Pro(13)HD12-Gly(12)HA (ROE) 132 3.58 4.37 Pro(13)HD12-HA 133 3.76 8.56 Gly(1)HA1-Trp(2)HN (ROE) 134 3.81 8.57 Gly(1)HA2-Trp(2)HN (ROE) 135 3.82 4.34 Ser(6)HB1-HA 136 3.83 8.21 Ser(6)HB1-HN 137 3.84 7.87 Gly(8)HA12-Tyr(9)HN (ROE) 138 3.84 7.09 Gly(8)HA12-Tyr(9)H26 (ROE) 139 3.87 8.21 Ser(6)HB2-HN 140 3.88 4.34 Ser(6)HB2-HA 141 3.96 8.48 Gly(17)HA-HN 142 3.97 8.24 Gly(17)HA-Lys(18)HN (ROE) 143 4.04 3.58 Gly(12)HA-Pro(13)HD12 (ROE) 144 4.05 8.07 Gly(12)HA-HN 145 4.08 4.25 Thr(3)HB-HA 146 4.08 8.00 Thr(3)HB-HN 147 4.08 1.10 Thr(3)HB-HG 148 4.11 0.95 Val(16)HA-HG12 149 4.11 8.21 Val(16)HA-HN 150 4.12 2.08 Val(16)HA-HB 151 4.12 8.48 Val(16)HA-Gly(17)HN (ROE) 152 4.15 1.52 Leu(4)HA-HB12/ HG 153 4.15 0.89 Leu(4)HA-HD12 154 4.16 8.38 Leu(4)HA-Asn(5)HN (ROE) 155 4.16 8.15 Leu(4)HA-HN 156 4.24 1.10 Thr(3)HA-HG 157 4.25 4.08 Thr(3)HA-HB 158 4.25 8.02 Thr(3)HA-HN 159 4.25 8.15 Thr(3)HA-Leu(4)HN (ROE) 160 4.25 7.57 Thr(3)HA-Trp(2)H4 (ROE) 161 4.26 1.49 Leu(10)HA-HB12/ HG 162 4.26 0.84 Leu(10)HA-HD12 163 4.26 8.07 Leu(10)HA-HN 164 4.27 7.94 Leu(10)HA-Leu(11)HN (ROE) 165 4.29 8.24 Lys(18)HA-HN 166 4.29 7.08 Lys(18)HA-CtermHN1 (ROE) 167 4.29 2.99 Lys(18)HA-HE12 168 4.29 8.26 Ala(7)HA-HN 169 4.29 7.66 Lys(18)HA-CtermHN2 (ROE) 170 4.30 1.84 Lys(18)HA-HB2 171 4.30 1.37 Ala(7)HA-HB 172 4.30 1.73 Lys(18)HA-HB1 173 4.30 1.62 Lys(18)HA-HD12 174 4.30 1.44 Lys(18)HA-HG12 175 4.34 3.85 Ser(6)HA-HB12 176 4.34 8.22 Ser(6)HA-HN 177 4.34 1.35 Ala(15)HA-HB 178 4.34 8.19 Ala(15)HA-HN 179 4.36 1.81 Pro(13)HA-HB1 180 4.36 2.21 Pro(13)HA-HB2 181 4.36 1.94 Pro(13)HA-HG2 182 4.36 3.58 Pro(13)HA-HD12 183 4.37 8.54 Pro(13)HA-His(14)HN (ROE) 184 4.37 0.88 Leu(11)HA-HD12 185 4.37 7.95 Leu(11)HA-HN 186 4.37 8.07 Leu(11)HA-Gly(12)HN (ROE) 187 4.38 1.59 Leu(11)HA-HB12/ HG 188 4.51 7.07 Tyr(9)HA-H26 (ROE) 189 4.51 7.87 Tyr(9)HA-HN 190 4.51 3.01 Tyr(9)HA-HB12 191 4.51 8.07 Tyr(9)HA-Leu(10)HN (ROE) 192 6.80 7.08 Tyr(9)H35-H26 193 6.80 4.51 Tyr(9)H35-HA (ROE) 194 6.80 0.85 Tyr(9)35-Leu(10)HD12 (ROE) 195 6.81 4.32 Tyr(9)H35-Ala(15)HA (ROE) (possibly Ser6HA) 196 6.81 1.39 Tyr(9)35-Ala(7)HB (ROE) 197 6.81 3.01 Tyr(9)H35-HB12 (ROE) 198 6.89 7.56 Asn(5)NH1-NH2 199 6.89 2.81 Asn(5)NH1-HB12 (ROE) 200 7.07 0.85 Tyr(9)26-Leu(10)HD12 (ROE) 201 7.08 3.84 Tyr(9)26-Gly(8)HA12 (ROE) 202 7.08 4.52 Tyr(9)H26-HA (ROE) 203 7.08 3.02 Tyr(9)H26-HB12 (ROE) 204 7.08 7.97 Tyr(9)H26-Leu(11)HN (ROE) 205 7.08 4.29 Tyr(9)H26-AmbiguousHA (ROE) 206 7.08 6.80 Tyr(9)H26-H35 207 7.08 7.87 Tyr(9)H26-HN (ROE) 208 7.09 1.39 Tyr(9)26-Ala(7)HB (ROE) 209 7.11 7.66 CtermNH1-NH2 210 7.12 4.29 CtermHN1-Lys(18)HA (ROE) 211 7.12 7.23 Trp(2)H5-H6 212 7.13 7.59 Trp(2)H5-H4 213 7.13 7.47 Trp(2)H5-H7 214 7.23 7.47 Trp(2)H6-H7 215 7.23 7.59 Trp(2)H6-H4 216 7.23 7.10 Trp(2)H6-H5 217 7.23 1.55 Trp(2)H6-Leu(4)HB12/ HG (ROE) 218 7.23 0.89 Trp(2)H6-Leu(4)HD12 (ROE) 219 7.24 4.17 Trp(2)H2-Leu(4)HA (ROE) 220 7.24 10.10 Trp(2)H2-NH1 221 7.24 8.01 Trp(2)H2-Thr(3)HN (ROE) 222 7.24 3.81 Trp(2)H2-Gly(1)HA12 (ROE) 223 7.25 3.25 Trp(2)H2-HB12(ROE) 224 7.28 8.56 His(14)HD2-HE1 225 7.28 3.14 His(14)HD2-HB2 226 7.47 0.90 Trp(2)H7-Leu(4)HD12 (ROE) 227 7.47 10.09 Trp(2)H7-NH1 (ROE) 228 7.47 7.23 Trp(2)H7-H6 229 7.47 7.12 Trp(2)H7-H5 230 7.47 7.59 Trp(2)H7-H4 231 7.56 6.89 Asn(5)NH2-NH1 232 7.56 2.80 Asn(5)NH2-HB12 233 7.59 7.48 Trp(2)H4-H7 234 7.59 3.80 Trp(2)H4-Gly(1)HA12 (ROE) 235 7.59 7.12 Trp(2)H4-H5 236 7.59 3.25 Trp(2)H4-HB12 (ROE) 237 7.59 4.25 Trp(2)H4-Thr(3)HA (ROE) 238 7.59 7.24 Trp(2)H4-H6 239 7.65 2.97 Cterm NH2-Lys(18)HE12 (ROE) 240 7.65 3.96 CtermHN2-Gly(17)HA12 (ROE) 241 7.65 4.30 CtermNH2-Lys(18)HA (ROE) 242 7.65 8.25 CtermHN2-Lys(18)HN (ROE) 243 7.66 1.85 CtermHN2-Lys(18)HB2 (ROE) 244 7.66 1.75 CtermHN2-Lys(18)HB1 (ROE) 245 7.66 7.11 CtermNH2-NH1 246 7.66 7.84 CtermNH2-Tyr(9)HN (ROE) 247 7.86 4.51 Tyr(9)HN-HA 248 7.86 2.99 Tyr(9)HN-HB12 249 7.87 1.37 Tyr(9)HN-Ala(7)HB (ROE) 250 7.87 8.01 Tyr(9)HN-Thr(3)HN (ROE) 251 7.87 8.22 Tyr(9)HN-AmbiguousHN (ROE) 252 7.87 7.08 Tyr(9)HN-H26 (ROE) 253 7.87 3.86 Tyr(9)HN-Gly(8)HA12 (ROE) 254 7.87 7.67 Tyr(9)HN-CtermNH2 (ROE) 255 7.88 4.28 Tyr(9)HN-AmbiguousHA (ROE) 256 7.94 1.62 Leu(11)HN-HB12/ HG 257 7.94 0.88 Leu(11)HN-HD12 258 7.95 4.36 Leu(11)HN-HA 259 7.95 4.25 Leu(11)HN-Leu(10)HA (ROE) 260 7.95 8.08 Leu(11)HN-Leu(10)HN (ROE) 261 7.95 7.08 Leu(11)HN-Tyr(9)H26 (ROE) 262 8.01 1.10 Thr(3)HN-HG 263 8.01 8.15 Thr(3)HN-Leu(4)HN (ROE) 264 8.01 3.26 Thr(3)HN-Trp(2)HB12 (ROE) 265 8.01 4.06 Thr(3)HN-HB 266 8.01 4.23 Thr(3)HN-HA 267 8.01 4.70 Thr(3)HN-Trp(2)HA (ROE) 268 8.02 7.88 Thr(3)HN-Tyr(9)HN (ROE) 269 8.03 7.24 Thr(3)HN-Trp(2)H2/ H6 (ROE) 270 8.06 0.84 Leu(10)HN-HD12 271 8.06 1.54 Leu(10)HN-HB12/ HG 272 8.07 4.51 Leu(10)HN-Tyr(9)HA (ROE) 273 8.07 4.27 Leu(10)HN-HA 274 8.07 2.99 Leu(10)HN-Tyr(9)HB12 (ROE) 275 8.07 7.94 Leu(10)HN-Leu(11)HN (ROE) 276 8.07 8.21 Leu(10)HN-HN ambiguous 277 8.08 4.35 Gly(12)HN-Leu(11)HA (ROE) 278 8.08 4.04 Gly(12)HN-HA 279 8.14 0.89 Leu(4)HN-HD12 280 8.14 4.14 Leu(4)HN-HA 281 8.14 4.24 Leu(4)HN-Thr(3)HA (ROE) 282 8.14 1.11 Leu(4)HN-Thr(3)HG (ROE) 283 8.15 8.38 Leu(4)HN-Asn(5)HN (ROe) 284 8.15 1.55 Leu(4)HN-HB12/ HG 285 8.15 8.01 Leu(4)HN-Thr(3)HN (ROE) 286 8.20 1.37 Ala(15)HN-HB 287 8.20 3.16 Ala(15)HN-His(14)HB12 (ROE) 288 8.20 3.26 AmbiguousHN-Trp(2)HB12 (ROE) 289 8.20 4.12 Val(16)HN-HA 290 8.20 4.68 Ala(15)HN-His(14)HA (ROE) 291 8.20 8.56 Ala(15)HN-His(14)HN (ROE) 292 8.20 2.08 Val(16)HN-HB 293 8.21 4.32 Ala(15)HN-HA 294 8.21 8.35 Ser(6)HN-Asn(5)HN (ROE) 295 8.21 2.80 Ser(6)HN-Asn(5)HB12 (ROE) 296 8.21 0.96 Val(16)HN-HG12 297 8.21 3.82 Gly(8)HN-HA12 298 8.21 3.84 Ser(6)HN-HB12 299 8.21 8.07 AmbiguousHN-Leu(10)HN (ROE) 300 8.21 4.34 Ser(6)HN-HA 301 8.21 4.66 Ser(6)HN-Asn(5)HA (ROE) 302 8.21 7.86 Ambiguous-Tyr(9)HN (ROE) 303 8.23 1.75 Lys(18)HN-HB1 304 8.24 2.98 Lys(18)HN-HE12 305 8.24 1.66 Lys(18)HN-HD12 306 8.24 1.43 Lys(18)HN-HG12 307 8.24 7.66 Lys(18)HN-CtermHN2 (ROE) 308 8.24 1.86 Lys(18)HN-HB2 309 8.26 4.30 Lys(18)HN-HA 310 8.26 3.93 Lys(18)HN-Gly(17)HA (ROE) 311 8.26 4.29 Ala(7)HN-HA 312 8.27 2.79 Ala(7)HN-Asn(5)HB12 (ROE) 313 8.27 1.38 Ala(7)HN-HB 314 8.36 2.80 Asn(5)HN-HB12 315 8.36 4.68 Asn(5)HN-HA 316 8.37 1.55 Asn(5)HN-Leu(4)HB12/ HG (ROE) 317 8.37 0.91 Asn(5)HN-Leu(4)HD12 (ROE) 318 8.37 8.14 Asn(5)HN-Leu(4)HN (ROE) 319 8.37 8.23 Asn(5)HN-Ser(6)HN (ROE) 320 8.37 4.14 Asn(5)HN-Leu(4)HA (ROE) 321 8.37 1.10 Asn(5)HN-Thr(3)HG (ROE) 322 8.37 8.50 Asn(5)HN-Gly(17)HN (ROE)? 323 8.48 0.95 Gly(17)HN-Val(16)HG12 (ROE) 324 8.48 3.90 Gly(17)HN-HA 325 8.48 2.04 Gly(17)HN-Val(16)HB (ROE) 326 8.49 4.15 Gly(17)HN-Val(16)HA (ROE) 327 8.49 8.36 Gly(17)HN-Asn(5)HN (ROE)? 328 8.53 4.69 Trp(2)HN-HA 329 8.53 3.58 His(14)HN-Pro(13)HD12 (ROE) 330 8.54 4.35 His(14)HN-Pro(13)HA (ROE) 331 8.54 1.81 His(14)HN-Pro(13)HB1 (ROE) 332 8.54 3.17 His(14)HN-HB12 333 8.54 8.21 His(14)HN-Ala(15)HN (ROE) 334 8.54 1.88 His(14)HN-Pro(13)HG1 (ROE) 335 8.55 3.25 Trp(2)HN-HB12 336 8.55 3.78 Trp(2)HN-Gly(1)HA12 (ROE) 337 8.56 7.27 His(14)HE1-HD2 338 10.09 7.24 Trp(2)NH1-H2 339 10.09 7.47 Trp(2)NH1-H7 (ROE) ; 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 . . 8417.5 Hz . . . 4.69 . . 30948 1 2 . . H 1 H . . 8403.4 Hz . . . 4.69 . . 30948 1 stop_ save_