######################### # 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 31032 _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 ; Chemical shifts were measured from chosen TOCSY peaks, assigned from an overlay of 1H-1H 2D COSY, TOCSY, and ROESY spectra using sequential procedures. The TOCSY peaks gave the most accurate shift measurements. ; _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.E If superimposed and not resolvable in the f2 dimension, then the group was labeled 12.E e.g. For leucine methyl groups, resolved: HD1 and HD2.E For leucine beta protons, not resolved - HB12." 3) Peaks that were solely chosen from the ROESY spectrum are indicated with (ROE) in parentheses.E No ROE peaks that also included a TOCSY peak were used to generate the NMR ensemble or any of the associated restraints.E f2 (ppm) f1 (ppm) Annotation 1 10.09 7.47 Trp(2)NH1-H7 (ROE) 2 10.09 7.24 Trp(2)NH1-H2 3 10.09 8.21 unassigned 4 8.55 3.79 Trp(2)HN-Gly(1)HA12 (ROE) 5 8.54 3.25 Trp(2)HN-HB12 6 8.54 4.74 Trp(2)HN-HA 7 8.54 4.34 His(14)HN-Pro(13)HA (ROE) 8 8.54 4.7 HIs(14)HN-HA 9 8.54 3.13 His(14)HN-HB1 10 8.54 3.28 His(14)HN-HB2 11 8.54 3.57 His(14)HN-Pro(13)HD12 (ROE) 12 8.54 1.78 His(14)HN-Pro(13)HB1 (ROE) 13 8.53 7.25 His(14)H2-H4 14 8.52 7.24 His(19)H2-H4 15 8.51 4.66 His(19)HN-HA 16 8.51 3.16 His(19)HN-HB1 17 8.51 2.75 His(19)HN-Asn(18)HB12 (ROE) 18 8.51 3.25 His(19)HN-HB2 19 8.46 1.34 Gly(17)HN-Ala(15)HB (ROE) 20 8.45 4.12 Gly(17)HN-Val(16)HA (ROE) 21 8.45 3.92 Gly(17)HN-HA12 22 8.45 0.94 Gly(17HN)-Val(16)HG12 (ROE) 23 8.45 2.09 Gly(17)HN-Val(16)HB (ROE) 24 8.4 3.8 Ser(21)HN-HB 25 8.4 1.54 Ser(21)HN-Arg(20)HG12 (ROE) 26 8.4 3.15 Ser(21)HN-Arg(20)HD12 (ROE) 27 8.4 1.74 Ser(21)HN-Arg(20)HB12 (ROE) 28 8.4 4.32 Ser(21)HN-Arg(20)HA (ROE) 29 8.4 4.44 Ser(21)HN-HA 30 8.38 4.68 Asn(26)HN-HA 31 8.38 2.81 Asn(26)HN-HB12 32 8.36 0.9 Asn(5)HN-Leu(4)HD12 (ROE) 33 8.36 7.24 Asn(5)HN-Trp(2)H2 (ROE) 34 8.36 4.44 Phe(22)HN-Ser(21)HA (ROE) 35 8.36 4.66 Asn(5)HN-HA 36 8.36 4.16 Asn(5)HN-Leu(4)HA (ROE) 37 8.36 3.81 Phe(22)HN-Ser(21)HB 38 8.36 4.65 Phe(22)HN-HA 39 8.36 2.79 Asn(5)HN-HB12 40 8.36 3.03 Phe(22)HN-HB1 41 8.36 3.15 Phe(22)HN-HB2 42 8.34 4.32 Arg(20)NH-HA 43 8.34 4.63 Arg(20)NH-His(19)HA (ROE) 44 8.34 1.72 Arg(20)NH-HB12 45 8.34 1.54 Arg(20)NH-HG12 46 8.34 3.15 Arg(20)NH-HD12 47 8.29 4.64 Asn(18)HN-HA 48 8.29 4.58 Lys(25)HN-Asp(24)HA (ROE) 49 8.29 1.81 Lys(25)HN-HB12 50 8.29 2.73 Asn(18)HN-HB12 51 8.29 3.94 Gly(27)HN-HA12 52 8.29 1.67 Lys(25)HN-HD12 53 8.29 1.4 Lys(25)HN-HG12 54 8.29 4.27 Lys(25)HN-HA 55 8.28 2.99 Lys(25)HN-HE12 56 8.27 0.94 Gly(17)HN-Val(16)HG12 (ROE) 57 8.27 2.09 Val(16)HB-Asn(18)HN (ROE) 58 8.27 4.28 Ala(7)HN-HA 59 8.26 1.37 Ala(7)HN-HB 60 8.26 3.15 unassigned 61 8.26 3.03 unassigned 62 8.24 2.72 Asp(24)HN-HB12 63 8.24 4.58 Asp(24)HN-HA 64 8.21 7.85 Gly(8)HN-Tyr(9)HN (ROE) 65 8.21 3.81 Gly(8)HN-HA12 66 8.21 2.77 Asn(5)HB12-Ser(6)HN (ROE) 67 8.2 3.85 Ser(6)/ (30)HN-HB 68 8.2 4.4 Ser(6)HN-HA 69 8.2 4.63 Ser(23)HN-Phe(22)HA (ROE) 70 8.2 4.39 Ser(23)HN-HA 71 8.2 3.84 Ser(23)HN-HB 72 8.2 3.15 Ser(23)HN-Phe(22)HB2 (ROE) 73 8.2 3.03 Ser(23)HN-Phe(22)HB1 (ROE) 74 8.2 1.2 Thr(29)HN-HG 75 8.2 1.36 Ser(6)HN-Ala(7)HB or Val(16)HN to Ala(15)HB (ROE) 76 8.2 7.58 Val(16)HN-Asn(18)NH2 (ROE) 77 8.2 10.09 unassigned 78 8.19 4.29 Thr(29)HN-HB 79 8.19 4.41 Thr(29)HN-HA 80 8.19 3.26 Val(16)HN-His(14)HB2 (ROE) 81 8.19 2.09 Val(16)HN-HB 82 8.19 0.94 Val(16)HN-HG12 83 8.18 4.13 Val(16)HN-HA 84 8.15 4.14 Leu(4)HN-HA 85 8.15 4.24 Leu(4)HN-Thr(3)HA (ROE) 86 8.15 1.57 Leu(4)HN-HB12/ HG 87 8.15 0.89 Leu(4)HN-HD12 88 8.15 1.1 Leu(4)HN-Thr(3)HG (ROE) 89 8.14 2.78 Leu(4)HN-Asn(5)HB12 (ROE) 90 8.14 3.93 Leu(28)HN-Gly(27)HA12 (ROE) 91 8.14 0.9 Leu(28)HN-HD12 92 8.14 1.6 Leu(28)HN-HB12/ HG 93 8.14 4.32 Ala(15)HN-HA 94 8.14 4.4 Leu(28)HN-HA 95 8.13 3.12 Ala(15)HN-His(14)HB1 (ROE) 96 8.13 1.35 Ala(15)HN-HB 97 8.13 4.67 Ala(15)HN-His(14)HA (ROE) 98 8.13 3.26 Ala(15)HN-His(14)HB2 (ROE) 99 8.08 4.37 Gly(12)HN-Leu(11)HA (ROE) 100 8.08 3.54 Gly(12)HN-Pro(13)HD12 (ROE) 101 8.07 4.04 Gly(12)HN-HA12 102 8.06 2.99 Leu(10)HN-Tyr(9)HB12 (ROE) 103 8.06 4.25 Leu(10)HN-HA 104 8.06 4.5 Leu(10)HN-Tyr(9)HA (ROE) 105 8.06 3.84 Leu(10)HN-Gly(8)HA12 (ROE) 106 8.06 0.85 Leu(10)HN-HD12 107 8.06 1.53 Leu(10)HN-HB12/ HG 108 8.01 4.68 Thr(3)HN-Trp(2)HA (ROE) 109 8.01 4.08 Thr(3)HN-HB 110 8.01 3.25 Thr(3)HN-Trp(2)HB12 (ROE) 111 8.01 4.24 Thr(3)HN-HA 112 8.01 1.1 Thr(3)HN-HG 113 8.01 3.81 Thr(3)HN-Gly(8)HA12 (ROE) 114 7.94 4.37 Leu(11)HN-HA 115 7.94 4.25 Leu(11)HN-Leu(10)HA (ROE) 116 7.94 4.08 Leu(11)HN-Thr(3)HB (ROE) 117 7.94 1.61 Leu(11)HN-HB12/ HG 118 7.94 1.5 Leu(11)HN-Leu(10)HB12/ HG (ROE) 119 7.94 0.87 Leu(11)HN_HD12 120 7.94 3.83 Leu(11)HN-Gly(8)HA12 (ROE) 121 7.94 3 Leu(11)HN-Tyr(9)HB12 (ROE) 122 7.86 4.29 Tyr(9)HN-Ala(7)HA (ROE) 123 7.86 8.21 Tyr(9)HN-Gly(8)HN (ROE) 124 7.86 1.38 Tyr(9)HN-Ala(7)HB (ROE) 125 7.86 2.98 Tyr(9)HN-HB12 126 7.86 4.51 Tyr(9)HN-HA 127 7.86 3.83 Tyr(9)HN-Gly(8)HA12 (ROE) 128 7.86 7.07 Tyr(9)H26-HN (intraROE) 129 7.64 2.8 Asn(5)NH2-HB12 (intraROE) 130 7.64 4.42 Asn(5)HN2-Ser(6)HA (ROE) 131 7.64 6.91 Asn(5)NH2-NH1 132 7.59 4.07 Trp(2)H4-Thr(3)HB (ROE) 133 7.59 7.46 Trp(2)H4-H7 134 7.58 3.26 Trp(2)H4-HB12 (ROE) 135 7.58 4.24 Trp(2)H4-Thr(3)HA (ROE) 136 7.58 7.19 Trp(2)H4-H6 137 7.58 7.14 Trp((2)H4-H5 138 7.57 3.86 Trp(2)H4-Ser(6)HB12 (ROE) 139 7.57 4.43 Trp(2)H4-Ser(6)HA (ROE) 140 7.57 8.18 Asn(18)NH2-Val(16)HN (ROE) 141 7.56 6.88 Asn(26)NH2-NH1 142 7.56 6.88 Asn(18)NH2-NH1 143 7.56 2.82 Asn(26)NH2-HB12 (intraROE) 144 7.55 2.72 Asn(18)NH2-HB12 (intraROE) 145 7.47 7.59 Trp(2)H7-H4 146 7.47 0.89 Trp(2)H7-Leu(4)HD12 (ROE) 147 7.47 7.19 Trp(2)H7-H6 148 7.47 7.13 Trp(2)H7-H5 149 7.46 4.16 Trp(2)H7-Leu(4)HA (ROE) 150 7.46 10.09 Trp(2)H7-NH1 (ROE) 151 7.33 7.23 Phe(22)H35-H26 152 7.33 4.42 Phe(22)H35-Ser(23)HA (ROE) 153 7.33 2.75 Phe(24)H35-Asp(24)HB12 (ROE) 154 7.33 7.27 Phe(22)H35-H4 155 7.33 3.15 Phe(22)H35-HB2 (ROE) 156 7.33 3.03 Phe(22)H35-HB1 (intraROE) 157 7.32 3.8 Phe(22)H35-Ser(21)HB12 (ROE) 158 7.28 2.74 Phe(22)H4-Asp(24)HB12 (ROE) 159 7.27 7.33 Phe(22)H4-H35 (intraROE) 160 7.27 3.03 Phe(22)H4-HB1 (intraROE) 161 7.27 3.16 Phe(22)H4-HB2 (intraROE) 162 7.26 8.53 His(14)H4-H2 163 7.26 1.76 His(14)H4-Pro(13)HB1 (ROE) 164 7.26 3.27 His(14)H4-HB2 165 7.26 3.15 His(14)H4-HB1 166 7.25 8.25 unassigned 167 7.25 2.71 Phe(22)H26-Asp(24)HB12 (ROE) 168 7.24 4.42 Phe(22)H26-Ser(23)HA (ROE) 169 7.24 3.8 Phe(22)H26-Ser(21)HB12 (ROE) 170 7.24 3.03 Phe(22)H26-HB1 (intraROE) 171 7.24 3.16 Phe(22)H26-HB2 (intraROE) 172 7.24 0.89 Trp(2)H2-Leu(4)HD12 (ROE) 173 7.24 4.15 Trp(2)H2-Leu(4)HA (ROE) 174 7.24 7.33 Phe(22)H26-H35 175 7.24 10.1 Trp(2)H2-NH1 176 7.23 8.52 His(19)H4-H2 177 7.23 3.16 His(19)H4-HB1 178 7.23 3.26 His(19)H4-HB2 179 7.23 3.26 Trp(2)H2-HB12 180 7.23 1.54 Trp(2)H2/ His(19)H4-Arg(20)HG12 or Leu(4)HB12/ HG 181 7.22 7.48 Trp(2)H6-H7 182 7.22 7.59 Trp(2)H6-H4 183 7.21 7.13 Trp(2)H6-H5 184 7.14 3.12 Arg(20)NHE-HD12 185 7.14 1.54 Arg(20)NHE-HG12 186 7.14 1.73 Arg(20)NH2-HB12 187 7.13 7.24 Trp(2)H5-H6 188 7.13 7.46 Trp(2)H5-H7 189 7.13 7.59 Trp(2)H5-H4 190 7.13 0.9 Trp(2)H5-Leu(4)HD12 (ROE) 191 7.12 4.15 Trp(2)H5-Leu(4)HA (ROE) 192 7.07 4.28 Tyr(9)H26-Ala(7)HA (ROE) 193 7.07 4.5 Tyr(9)H26-HA (intraROE) 194 7.07 3.83 Tyr(9)H26-Gly(8)HA12 (ROE) 195 7.07 6.78 Tyr(9)H26-H35 196 7.07 4.15 Tyr(9)H26-Leu(4)HA (ROE) 197 7.06 0.85 Tyr(9)H26-Leu(10)HD12 (ROE) 198 7.06 1.37 Tyr(9)H26-Ala(7)HB (ROE) 199 7.06 3 Tyr(9)H26-HB12 (intraROE) 200 7.06 7.87 Tyr(9)H26-HN (intraROE) 201 6.91 2.8 Asn(5)NH1-HB12 (intraROE) 202 6.91 7.61 Asn(5)NH1-NH2 203 6.89 7.56 Asn(26)NH1-NH2 204 6.89 7.56 Asn(18)NH1-NH2 205 6.89 2.82 Asn(26)NH1-HB12 (intraROE) 206 6.88 2.73 Asn(18)NH1-HB12 (intraROE) 207 6.8 4.5 Tyr(9)H35-HA (intraROE) 208 6.8 3.01 Tyr(9)H35-HB12 (intraROE) 209 6.79 1.57 Tyr(9)H35-Leu(11)HB12/ HG (ROE) 210 6.79 1.37 Tyr(9)H35-Ala(7)HB (ROE) 211 6.79 7.08 Tyr(9)H35-H26 212 6.79 0.86 Tyr(9)H35-Leu(10)HD12 (ROE) 213 4.68 8.38 Asn(26)HA-HN 214 4.67 2.82 Asn(26)HA-HB12 215 4.59 8.25 Asp(24)HA-HN 216 4.51 7.86 Tyr(9)HA-HN 217 4.51 8.06 Tyr(9)HA-Leu(10)HN (ROE) 218 4.51 7.07 Tyr(9)HA-H26 (intraROE) 219 4.5 3 Tyr(9)HA-HB12 220 4.43 8.39 Ser(21)HA-HN 221 4.43 3.82 Ser(21)HA-HB 222 4.43 3.84 Ser(6)HA-HB12 223 4.43 7.57 Ser(6)HA-Trp(2)H4 (ROE) 224 4.42 1.63 Leu(28)HA-HB12/ HG 225 4.42 3.84 Ser(23)HA-HB 226 4.42 0.9 Leu(28)HA-HD12 227 4.42 8.19 Ser(23)HA-HN 228 4.42 8.19 Thr(29)HA-HN 229 4.41 8.2 Ser(6)HA-HN 230 4.4 1.22 Thr(29)HA-HG 231 4.4 0.89 Leu(28)HA-HD12 232 4.39 1.61 Leu(28)HA-HB12/ HG 233 4.38 1.61 Leu(11)HA-HB12/ HG 234 4.38 8.07 Leu(11)HA-Gly(12)HA12 (ROE) 235 4.38 7.95 Leu(11)HA-HN 236 4.37 0.88 Leu(11)HA-HD12 237 4.36 2.19 Pro(13)HA-HB2 238 4.35 8.53 Pro(13)HA-His(14)HN (ROE) 239 4.35 1.97 Pro(13)HA-HG2 240 4.35 1.86 Pro(13)HA-HG1 241 4.35 1.76 Pro(13)HA-HB1 242 4.35 3.59 Pro(13)HA-HD12 243 4.33 3.84 Ser(30)HA-HB12 244 4.33 1.35 Ala(15)HA-HB 245 4.33 8.2 Ser(30)HA-HN 246 4.33 1.72 Arg(20)HA-HB12 247 4.32 3.14 Arg(20)HA-HD12 248 4.32 8.35 Arg(20)HA-HN 249 4.29 1.37 Ala(7)HA-HB 250 4.29 6.8 Ala(7)HA-Tyr(9)H35 (ROE) 251 4.29 2.95 Lys(25)HA-HE12 252 4.28 7.07 Ala(7)HA-Tyr(9)H26 (ROE) 253 4.28 1.2 Thr(29)HB-HG 254 4.28 1.65 Lys(25)HA-HD12 255 4.28 8.27 Ala(7)HA-HN 256 4.28 1.41 Lys(25)HA-HG12 257 4.28 1.75 Lys(25)HA-HB12 258 4.27 8.27 Lys(25)HA-HN 259 4.27 8.2 Thr(29)HB-HN 260 4.27 8.06 Leu(10)HA-HN 261 4.26 1.52 Leu(10)HA-HB12/ HG 262 4.26 0.83 Leu(10)HA-HD12 263 4.25 7.58 Thr(3)HA-Trp(2)H4 (ROE) 264 4.24 8.01 Thr(3)HA-HN 265 4.24 8.14 Thr(3)HA-Leu(4)HN (ROE) 266 4.24 4.08 Thr(3)HA-HB 267 4.24 1.09 Thr(3)HA-HG 268 4.16 8.37 Leu(4)HA-Asn(5)HN (ROE) 269 4.16 0.9 Leu(4)HA-HD12 270 4.16 1.53 Leu(4)HA-HB12/ HG 271 4.16 7.07 Leu(4)HA-Tyr(9)H26 (ROE) 272 4.16 7.24 Leu(4)HA-Trp(2)H2 (ROE) 273 4.16 7.46 Leu(4)HA-Trp(2)H7 (ROE) 274 4.15 8.14 Leu(4)HA-HN 275 4.14 1.35 Val(16)HA-Ala(15)HB (ROE) 276 4.14 0.94 Val(16)HA-HG12 277 4.14 2.07 Val(16)HA-HB 278 4.13 8.45 Val(16)HA-Gly(17)HN (ROE) 279 4.13 8.19 Val(16)HA-HN 280 4.08 4.24 Thr(3)HB-HA 281 4.08 8.01 Thr(3)HB-HN 282 4.08 1.09 Thr(3)HB-HG 283 4.05 0.8 Thr(3)HB-Leu(10)HD12 (ROE) 284 4.04 8.08 Gly(12)HA12-HN 285 4.04 3.56 Gly(12)HA12-Pro(13)HD12) (ROE) 286 3.94 8.14 Gly(27)HA12-Leu(28)HN (ROE) 287 3.94 8.29 Gly(27)HA12-HN 288 3.93 8.43 Gly(17)HA12-HN 289 3.93 0.93 Gly(17)HA12-Val(16)HG12 (ROE) 290 3.86 7.57 Ser(6)HB12-Trp(2)H4 (ROE) 291 3.84 8.06 Gly(8)HA12-Leu(10)HN (ROE) 292 3.84 7.87 Gly(8)HA12-Tyr(9)HN (ROE) 293 3.84 4.42 Ser(23)HB-HA 294 3.83 8.2 Ser(23)HB-HN 295 3.83 8.2 Gly(8)HA12-HN 296 3.83 7.07 Gly(8)HA12-Tyr(9)H26 (ROE) 297 3.83 8.2 Ser(6)/ (30)HB-HN 298 3.83 4.33 Ser(30)HB12-HA 299 3.83 4.4 Ser(6)HB12-HA 300 3.8 4.43 Ser(21)HB-HA 301 3.8 7.25 Ser(21)HB12-Phe(22)H26 (ROE) 302 3.8 8.39 Ser(21)HB-HN 303 3.78 8.55 Gly(1)HA12-Trp(2)HN (ROE) 304 3.57 1.98 Pro(13)HD12-HG2 305 3.57 1.87 Pro(13)HD12-HG1 306 3.57 4.04 Pro(13)HD12-Gly(12)HA12 (ROE) 307 3.57 2.2 Pro(13)HD12-HB2 308 3.57 1.78 Pro(13)HD12-HB1 309 3.57 4.34 Pro(13)HD12-HA 310 3.28 8.54 His(14)HB2-HN 311 3.27 7.23 HIs(14)HB2-H4 312 3.27 7.59 Trp(2)HB2-H4 (ROE) 313 3.27 8.15 Trp(2)HB2-Leu(4)HN (ROE) 314 3.27 8.53 Trp(2)HB2-HN 315 3.27 8.02 Trp(2)HB2-Thr(3)HN (ROE) 316 3.27 7.24 Trp(2)HB2-H2 317 3.26 7.24 His(19)HB2-H4 318 3.25 4.66 His(19)HB2-HA 319 3.22 7.24 Trp(2)HB1-H2 320 3.22 8.53 Trp(2)HB1-HN 321 3.21 7.59 Trp(2)HB1-H4 (ROE) 322 3.21 8.01 Trp(2)HB1-Thr(3)HN (ROE) 323 3.21 2.77 Trp(2)HB1-Asn(5)HB1 (ROE) 324 3.16 7.24 His(19)HB1-H4 325 3.15 8.21 Phe(22)HB2-Ser(23)HN (ROE) 326 3.15 8.36 Phe(22)HB2-HN 327 3.15 7.24 Phe(22)HB2-H26 (intraROE) 328 3.14 4.65 His(19)HB1-HA 329 3.14 4.64 Phe(22)HB2-HA 330 3.14 7.15 Arg(20)HD12-NHE 331 3.14 1.73 Arg(20)HD12-HB12 332 3.14 4.32 Arg(20)HD12-HA 333 3.14 1.54 Arg(20)HD12-HG12 334 3.14 8.34 Arg(20)HD12-HN 335 3.13 7.25 His(14)HB1-H4 336 3.13 8.54 His(14)HB1-HN 337 3.04 7.24 Phe(22)HB1-H26 (intraROE) 338 3.04 8.36 Phe(22)HB1-HN 339 3.03 4.64 Phe(22)HB1-HA 340 3.01 4.5 Tyr(9)HB2-HA 341 3.01 7.07 Tyr(9)HB2-H26 (intraROE) 342 3.01 8.06 Tyr(9)HB2-Leu(10)HN (ROE) 343 3.01 7.86 Try(9)HB2-HN 344 2.97 1.79 Lys(25)HE12-HB12 345 2.97 4.27 Lys(25)HE12-HA 346 2.97 1.66 Lys(25)HE12-HD12 347 2.97 8.29 Lys(25)HE12-HN 348 2.97 1.41 Lys(25)HE12-HG12 349 2.96 7.07 Tyr(9)HB1-H26 (intraROE) 350 2.96 7.86 Tyr(9)HB1-HN 351 2.96 4.5 Tyr(9)HB1-HA 352 2.95 8.03 Tyr(9)HB1-Leu(10)HN (ROE) 353 2.85 7.64 Asn(5)HB2-NH2 (intraROE) 354 2.84 8.38 Asn(5)HB2-HN 355 2.84 6.92 Asn(5)HB2-NH1 (intraROE) 356 2.84 4.66 Asn(5)HB2-HA 357 2.83 8.28 Asn(26)HB12-Gly(27)HN (ROE) 358 2.82 8.38 Asn(26)HB12-HN 359 2.81 4.67 Asn(26)HB12-HA 360 2.8 6.9 Asn(26)HB12-NH1 (intraROE) 361 2.8 7.56 Asn(26)HB12-NH2 (IntraROE) 362 2.78 4.67 Asn(5)HB1-HA 363 2.78 8.21 Asn(5)HB1-Ser(6)HN (ROE) 364 2.78 8.36 Asn(5)HB1-HN 365 2.78 3.21 Asn(5)HB1-Trp(2)HB1 (ROE) 366 2.78 7.64 Asn(5)HB1-NH2 (intraROE) 367 2.78 6.92 Asn(5)HB1-NH1 (intraROE) 368 2.75 4.65 Asn(18)HB12-HA 369 2.75 8.52 Asn(18)HB12-His(19)HN (ROE) 370 2.75 8.29 Asn(18)HB12-HN 371 2.73 7.56 Asn(18)HB12-NH2 (intraROE) 372 2.73 6.9 Asn(18)HB12-NH1 (intraROE) 373 2.71 8.25 Asp(24)HB12-HN 374 2.71 4.55 Asp(24)HB12-HA 375 2.71 7.28 Asp(24)HB12-Phe(22)H4 (ROE) 376 2.2 1.78 Pro(13)HB2-HB1 377 2.2 1.97 Pro(13)HB2-HG2 378 2.2 1.87 Pro(13)HB2-HG11 379 2.2 4.34 Pro(13)HB2-HA 380 2.2 3.57 Pro(13)HB2-HD12 381 2.09 0.94 Val(16)HB-HG12 382 2.08 8.44 Val(16)HB-Gly(17)HN (ROE) 383 2.08 8.17 Val(16)HB-HN 384 2.08 4.12 Val(16)HB-HA 385 1.97 2.2 Pro(13)HG2-HB2 386 1.97 4.35 Pro(13)HG2-HA 387 1.97 3.57 Pro(13)HG2-HD12 388 1.87 3.57 Pro(13)HG1-HD12 389 1.87 8.54 Pro(13)HG1-His(14)HN (H2) (ROE) 390 1.87 4.3 Pro(13)HG1-HA 391 1.86 2.2 Pro(13)HG1-HB2 392 1.86 2.97 Lys(25)HB2-HE12 393 1.85 4.33 Lys(25)HB2-HA 394 1.85 8.28 Lys(25)HB2-HN 395 1.81 7.15 Arg(20)HB12-NHE 396 1.78 2.2 Pro(13)HB1-HB2 397 1.77 8.54 Pro(13)HB1-His(14)HN (H2) (ROE) 398 1.77 4.34 Pro(13)HB1-HA 399 1.77 3.57 Pro(13)HB1-HD12 400 1.76 4.28 Lys(25)HB1-HA 401 1.76 7.27 Pro(13)HB1-His(14)H4 (ROE) 402 1.76 2.97 Lys(25)HB1-HE12 403 1.76 1.41 Lys(25)HB1-HG12 404 1.75 8.4 Arg(20)HB2-Ser(21)HB (ROE) 405 1.75 8.34 Arg(20)HB2-HN 406 1.75 3.14 Arg(20)HB2-HD12 407 1.75 1.52 Arg(20)HB2-HG12 408 1.75 8.28 Lys(25)HB1-HN 409 1.75 4.32 Arg(20)HB2-HA 410 1.7 8.4 Arg(20)HB1-Ser(21)HB1 (ROE) 411 1.7 1.52 Arg(20)HB1-HG12 412 1.7 8.34 Arg(20)HB1-HN 413 1.7 3.15 Arg(20)HB1-HD12 414 1.7 4.32 Arg(20)HB1-HA 415 1.66 2.97 Lys(25)HD12-HE12 416 1.66 4.29 Lys(25)HD12-HA 417 1.65 4.42 Leu(28)HB12/ HG-HA (multiple shifts overlapping) 418 1.65 8.29 Lys(25)HD12-HN 419 1.65 1.41 Lys(25)HD12-HG12 420 1.64 4.4 Leu(28)HB12/ HG-HA 421 1.6 4.39 Leu(11)HB12/ HG-HA 422 1.59 7.93 Leu(11)HB12/ HG-HN 423 1.55 1.74 Arg(20)HG12-HB12 424 1.55 8.4 Arg(20)HG12-Ser(21)HN (ROE) 425 1.55 8.33 Arg(20)HG12-HN 426 1.54 4.14 Leu(4)HB12/ HG 427 1.54 3.14 Arg(20)HG12-HD12 428 1.54 6.78 Leu(11)HB12/ HG-Tyr(9)H35 (ROE) 429 1.54 4.32 Arg(20)HG12-HA 430 1.54 8.14 Leu(4)HB12/ HG-HN 431 1.54 7.14 Arg(20)HG12-NHE 432 1.51 7.93 Leu(10)HB12-Leu(11)HN (ROE) 433 1.51 4.26 Leu(10)HB12-HA 434 1.51 8.06 Leu(10)HB12-HN 435 1.44 8.06 Leu(10)HG-HN 436 1.44 4.26 Leu(10)HG-HA 437 1.43 7.07 Leu(10)HG-Tyr(9)H26 (ROE) 438 1.41 1.64 Lys(25)HG12-HD12 439 1.41 4.28 Lys(25)HG12-HA 440 1.41 1.75 Lys(25)HG12-HB1 441 1.41 2.98 Lys(25)HG12-HE12 442 1.4 8.29 Lys(25)HG12-HN 443 1.37 4.28 Ala(7)HB-HA 444 1.37 7.07 Ala(7)HB-Tyr(9)H26 (ROE) 445 1.37 7.86 Ala(7)HB-Tyr(9)HN (ROE) 446 1.37 6.78 Ala(7)HB-Tyr(9)H35 (ROE) 447 1.37 8.27 Ala(7)HB-HN 448 1.35 4.14 Ala(15)HB-Val(16)HA (ROE) 449 1.35 8.13 Ala(15)HB-HN 450 1.35 4.31 Ala(15)HB-HA 451 1.35 8.46 Ala(15)HB-Gly(17)HN (ROE) 452 1.2 4.42 Thr(29)HG-HA 453 1.19 4.27 Thr(29)HG-HB 454 1.19 8.19 Thr(29)HG-HN 455 1.1 8.36 Thr(3)HG-Asn(5)HN (ROE) 456 1.09 8.17 Thr(3)HG-Leu(4)HN (ROE) 457 1.09 4.08 Thr(3)HG-HB 458 1.09 8.01 Thr(3)HG-HN 459 1.09 4.24 Thr(3)HG-HA 460 0.94 3.93 Val(16)HG12-Gly(17)HA12 (ROE) 461 0.94 8.45 Val(16)HG12-Gly(17)HN (ROE) 462 0.94 2.08 Val(16)HG12-HB 463 0.94 8.19 Val(16)HG12-HN 464 0.94 4.13 Val(16)HG12-HA 465 0.92 7.24 Leu(4)HD2-Trp(2)H2 (ROE) 466 0.92 4.42 Leu(28)HD2-HA 467 0.92 8.36 Leu(4)HD2-Asn(5)HN (ROE) 468 0.91 8.15 Leu(4)HD2-HN 469 0.91 4.14 Leu(4)HD2-HA 470 0.91 4.4 Leu(11)HD2-HA 471 0.9 7.86 Leu(11)HD2-Tyr(9)HN (ROE) 472 0.9 7.94 Leu(11)HD2-HN 473 0.87 8.36 Leu(4)HD1-Asn(5)HN (ROE) 474 0.87 4.42 Leu(28)HD1-HA 475 0.87 8.16 Leu(4)HD1-HN 476 0.86 4.14 Leu(4)HD1-HA 477 0.86 7.24 Leu(4)HD1-Trp(2)H2 (ROE) 478 0.86 4.4 Leu(11)HD1-HA 479 0.86 6.8 Leu(10)HD2-Tyr(9)H35 (ROE) 480 0.86 8.06 Leu(10)HD2-HN 481 0.85 7.08 Leu(10)HD2-Tyr(9)H26 (ROE) 482 0.85 7.93 Leu(11)HD1-HN 483 0.85 4.27 Leu(10)HD2-HA 484 0.85 7.86 Leu(11)HD1/ Leu(10)HD2-Tyr9)HN (ROE) 485 0.81 4.26 Leu(10)HD1-HA 486 0.8 4.08 Leu(10)HD1-Thr(3)HB (ROE) 487 0.8 7.07 Leu(10)HD1-Tyr(9)H26 (ROE) 488 0.8 6.8 Leu(10)HD1-Tyr(9)H35 (ROE) 489 0.8 8.06 Leu(10)HD1-HN ; 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' 8403.4 Hz . . . 4.78 . . 31032 1 2 . . H 1 H . 'not observed' 8403.4 Hz . . . 4.78 . . 31032 1 stop_ save_