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                         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_