Content for NMR-STAR saveframe, "spectral_peak_list_1"
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_